----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:18:34]------------------------- 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: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.528651690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.962638439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.757895880000000 Atomic positions (fractional): *1 Zr 0.14779212279730 0.12987172612716 0.90677284195996 91.224 2 Zr 0.64779212279730 0.12987172612716 0.59322715804004 91.224 3 Zr 0.14779212279730 0.37012827387284 0.40677284195996 91.224 4 Zr 0.64779212279730 0.37012827387284 0.09322715804004 91.224 5 Zr 0.35220787720270 0.62987172612716 0.90677284195996 91.224 6 Zr 0.85220787720270 0.62987172612716 0.59322715804004 91.224 7 Zr 0.35220787720270 0.87012827387284 0.40677284195996 91.224 8 Zr 0.85220787720270 0.87012827387284 0.09322715804004 91.224 *9 O 0.82959744360477 0.01481847807932 0.84466784044785 15.999 10 O 0.32959744360477 0.01481847807932 0.65533215955215 15.999 *11 O 0.47587948213352 0.23201777381364 0.87571306164830 15.999 12 O 0.97587948213352 0.23201777381364 0.62428693835170 15.999 13 O 0.47587948213352 0.26798222618635 0.37571306164830 15.999 14 O 0.97587948213352 0.26798222618635 0.12428693835170 15.999 15 O 0.32959744360477 0.48518152192068 0.15533215955215 15.999 16 O 0.82959744360477 0.48518152192068 0.34466784044785 15.999 17 O 0.67040255639523 0.51481847807932 0.84466784044785 15.999 18 O 0.17040255639523 0.51481847807932 0.65533215955215 15.999 19 O 0.02412051786648 0.73201777381364 0.87571306164830 15.999 20 O 0.52412051786648 0.73201777381364 0.62428693835170 15.999 21 O 0.02412051786648 0.76798222618636 0.37571306164830 15.999 22 O 0.52412051786648 0.76798222618636 0.12428693835170 15.999 23 O 0.67040255639523 0.98518152192068 0.34466784044785 15.999 24 O 0.17040255639523 0.98518152192068 0.15533215955215 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.528651690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.962638439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.757895880000000 Atomic positions (fractional): *1 Zr 0.14779212279730 0.12987172612716 0.90677284195996 91.224 > 1 2 Zr 0.64779212279730 0.12987172612716 0.59322715804004 91.224 > 2 3 Zr 0.14779212279730 0.37012827387284 0.40677284195996 91.224 > 3 4 Zr 0.64779212279730 0.37012827387284 0.09322715804004 91.224 > 4 5 Zr 0.35220787720270 0.62987172612716 0.90677284195996 91.224 > 5 6 Zr 0.85220787720270 0.62987172612716 0.59322715804004 91.224 > 6 7 Zr 0.35220787720270 0.87012827387284 0.40677284195996 91.224 > 7 8 Zr 0.85220787720270 0.87012827387284 0.09322715804004 91.224 > 8 *9 O 0.82959744360477 0.01481847807932 0.84466784044785 15.999 > 9 10 O 0.32959744360477 0.01481847807932 0.65533215955215 15.999 > 10 *11 O 0.47587948213352 0.23201777381364 0.87571306164830 15.999 > 11 12 O 0.97587948213352 0.23201777381364 0.62428693835170 15.999 > 12 13 O 0.47587948213352 0.26798222618635 0.37571306164830 15.999 > 13 14 O 0.97587948213352 0.26798222618635 0.12428693835170 15.999 > 14 15 O 0.32959744360477 0.48518152192068 0.15533215955215 15.999 > 15 16 O 0.82959744360477 0.48518152192068 0.34466784044785 15.999 > 16 17 O 0.67040255639523 0.51481847807932 0.84466784044785 15.999 > 17 18 O 0.17040255639523 0.51481847807932 0.65533215955215 15.999 > 18 19 O 0.02412051786648 0.73201777381364 0.87571306164830 15.999 > 19 20 O 0.52412051786648 0.73201777381364 0.62428693835170 15.999 > 20 21 O 0.02412051786648 0.76798222618636 0.37571306164830 15.999 > 21 22 O 0.52412051786648 0.76798222618636 0.12428693835170 15.999 > 22 23 O 0.67040255639523 0.98518152192068 0.34466784044785 15.999 > 23 24 O 0.17040255639523 0.98518152192068 0.15533215955215 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.057303380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.962638439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.515791760000001 Atomic positions (fractional): *1 Zr 0.07389606139865 0.12987172612716 0.45338642097998 91.224 > 1 2 Zr 0.57389606139865 0.12987172612716 0.45338642097998 91.224 > 1 3 Zr 0.07389606139865 0.12987172612716 0.95338642097998 91.224 > 1 4 Zr 0.57389606139865 0.12987172612716 0.95338642097998 91.224 > 1 5 Zr 0.32389606139865 0.12987172612716 0.29661357902002 91.224 > 2 6 Zr 0.82389606139865 0.12987172612716 0.29661357902002 91.224 > 2 7 Zr 0.32389606139865 0.12987172612716 0.79661357902002 91.224 > 2 8 Zr 0.82389606139865 0.12987172612716 0.79661357902002 91.224 > 2 9 Zr 0.07389606139865 0.37012827387284 0.20338642097998 91.224 > 3 10 Zr 0.57389606139865 0.37012827387284 0.20338642097998 91.224 > 3 11 Zr 0.07389606139865 0.37012827387284 0.70338642097998 91.224 > 3 12 Zr 0.57389606139865 0.37012827387284 0.70338642097998 91.224 > 3 13 Zr 0.32389606139865 0.37012827387284 0.04661357902002 91.224 > 4 14 Zr 0.82389606139865 0.37012827387284 0.04661357902002 91.224 > 4 15 Zr 0.32389606139865 0.37012827387284 0.54661357902002 91.224 > 4 16 Zr 0.82389606139865 0.37012827387284 0.54661357902002 91.224 > 4 17 Zr 0.17610393860135 0.62987172612716 0.45338642097998 91.224 > 5 18 Zr 0.67610393860135 0.62987172612716 0.45338642097998 91.224 > 5 19 Zr 0.17610393860135 0.62987172612716 0.95338642097998 91.224 > 5 20 Zr 0.67610393860135 0.62987172612716 0.95338642097998 91.224 > 5 21 Zr 0.42610393860135 0.62987172612716 0.29661357902002 91.224 > 6 22 Zr 0.92610393860135 0.62987172612716 0.29661357902002 91.224 > 6 23 Zr 0.42610393860135 0.62987172612716 0.79661357902002 91.224 > 6 24 Zr 0.92610393860135 0.62987172612716 0.79661357902002 91.224 > 6 25 Zr 0.17610393860135 0.87012827387284 0.20338642097998 91.224 > 7 26 Zr 0.67610393860135 0.87012827387284 0.20338642097998 91.224 > 7 27 Zr 0.17610393860135 0.87012827387284 0.70338642097998 91.224 > 7 28 Zr 0.67610393860135 0.87012827387284 0.70338642097998 91.224 > 7 29 Zr 0.42610393860135 0.87012827387284 0.04661357902002 91.224 > 8 30 Zr 0.92610393860135 0.87012827387284 0.04661357902002 91.224 > 8 31 Zr 0.42610393860135 0.87012827387284 0.54661357902002 91.224 > 8 32 Zr 0.92610393860135 0.87012827387284 0.54661357902002 91.224 > 8 *33 O 0.41479872180238 0.01481847807932 0.42233392022392 15.999 > 9 34 O 0.91479872180238 0.01481847807932 0.42233392022392 15.999 > 9 35 O 0.41479872180238 0.01481847807932 0.92233392022392 15.999 > 9 36 O 0.91479872180238 0.01481847807932 0.92233392022392 15.999 > 9 37 O 0.16479872180238 0.01481847807932 0.32766607977608 15.999 > 10 38 O 0.66479872180238 0.01481847807932 0.32766607977608 15.999 > 10 39 O 0.16479872180238 0.01481847807932 0.82766607977608 15.999 > 10 40 O 0.66479872180238 0.01481847807932 0.82766607977608 15.999 > 10 *41 O 0.23793974106676 0.23201777381364 0.43785653082415 15.999 > 11 42 O 0.73793974106676 0.23201777381364 0.43785653082415 15.999 > 11 43 O 0.23793974106676 0.23201777381364 0.93785653082415 15.999 > 11 44 O 0.73793974106676 0.23201777381364 0.93785653082415 15.999 > 11 45 O 0.48793974106676 0.23201777381364 0.31214346917585 15.999 > 12 46 O 0.98793974106676 0.23201777381364 0.31214346917585 15.999 > 12 47 O 0.48793974106676 0.23201777381364 0.81214346917585 15.999 > 12 48 O 0.98793974106676 0.23201777381364 0.81214346917585 15.999 > 12 49 O 0.23793974106676 0.26798222618635 0.18785653082415 15.999 > 13 50 O 0.73793974106676 0.26798222618635 0.18785653082415 15.999 > 13 51 O 0.23793974106676 0.26798222618635 0.68785653082415 15.999 > 13 52 O 0.73793974106676 0.26798222618635 0.68785653082415 15.999 > 13 53 O 0.48793974106676 0.26798222618635 0.06214346917585 15.999 > 14 54 O 0.98793974106676 0.26798222618635 0.06214346917585 15.999 > 14 55 O 0.48793974106676 0.26798222618635 0.56214346917585 15.999 > 14 56 O 0.98793974106676 0.26798222618635 0.56214346917585 15.999 > 14 57 O 0.16479872180238 0.48518152192068 0.07766607977608 15.999 > 15 58 O 0.66479872180238 0.48518152192068 0.07766607977608 15.999 > 15 59 O 0.16479872180238 0.48518152192068 0.57766607977608 15.999 > 15 60 O 0.66479872180238 0.48518152192068 0.57766607977608 15.999 > 15 61 O 0.41479872180238 0.48518152192068 0.17233392022392 15.999 > 16 62 O 0.91479872180238 0.48518152192068 0.17233392022392 15.999 > 16 63 O 0.41479872180238 0.48518152192068 0.67233392022392 15.999 > 16 64 O 0.91479872180238 0.48518152192068 0.67233392022392 15.999 > 16 65 O 0.33520127819762 0.51481847807932 0.42233392022392 15.999 > 17 66 O 0.83520127819762 0.51481847807932 0.42233392022392 15.999 > 17 67 O 0.33520127819762 0.51481847807932 0.92233392022392 15.999 > 17 68 O 0.83520127819762 0.51481847807932 0.92233392022392 15.999 > 17 69 O 0.08520127819762 0.51481847807932 0.32766607977608 15.999 > 18 70 O 0.58520127819762 0.51481847807932 0.32766607977608 15.999 > 18 71 O 0.08520127819762 0.51481847807932 0.82766607977608 15.999 > 18 72 O 0.58520127819762 0.51481847807932 0.82766607977608 15.999 > 18 73 O 0.01206025893324 0.73201777381364 0.43785653082415 15.999 > 19 74 O 0.51206025893324 0.73201777381364 0.43785653082415 15.999 > 19 75 O 0.01206025893324 0.73201777381364 0.93785653082415 15.999 > 19 76 O 0.51206025893324 0.73201777381364 0.93785653082415 15.999 > 19 77 O 0.26206025893324 0.73201777381364 0.31214346917585 15.999 > 20 78 O 0.76206025893324 0.73201777381364 0.31214346917585 15.999 > 20 79 O 0.26206025893324 0.73201777381364 0.81214346917585 15.999 > 20 80 O 0.76206025893324 0.73201777381364 0.81214346917585 15.999 > 20 81 O 0.01206025893324 0.76798222618636 0.18785653082415 15.999 > 21 82 O 0.51206025893324 0.76798222618636 0.18785653082415 15.999 > 21 83 O 0.01206025893324 0.76798222618636 0.68785653082415 15.999 > 21 84 O 0.51206025893324 0.76798222618636 0.68785653082415 15.999 > 21 85 O 0.26206025893324 0.76798222618636 0.06214346917585 15.999 > 22 86 O 0.76206025893324 0.76798222618636 0.06214346917585 15.999 > 22 87 O 0.26206025893324 0.76798222618636 0.56214346917585 15.999 > 22 88 O 0.76206025893324 0.76798222618636 0.56214346917585 15.999 > 22 89 O 0.33520127819762 0.98518152192068 0.17233392022392 15.999 > 23 90 O 0.83520127819762 0.98518152192068 0.17233392022392 15.999 > 23 91 O 0.33520127819762 0.98518152192068 0.67233392022392 15.999 > 23 92 O 0.83520127819762 0.98518152192068 0.67233392022392 15.999 > 23 93 O 0.08520127819762 0.98518152192068 0.07766607977608 15.999 > 24 94 O 0.58520127819762 0.98518152192068 0.07766607977608 15.999 > 24 95 O 0.08520127819762 0.98518152192068 0.57766607977608 15.999 > 24 96 O 0.58520127819762 0.98518152192068 0.57766607977608 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7527423 0.0000000 0.0000000 0.0000000 4.9215045 0.0000000 0.0000000 0.0000000 4.8650817 -------------------------- Born effective charges -------------------------- 1 Zr 5.4435442 -0.1779603 -0.7633279 -0.1259846 5.6532820 -0.0432542 -0.6658254 0.0409296 5.5739840 2 Zr 5.4435442 -0.1779603 0.7633279 -0.1259846 5.6532820 0.0432542 0.6658254 -0.0409296 5.5739840 3 Zr 5.4435442 0.1779603 -0.7633279 0.1259846 5.6532820 0.0432542 -0.6658254 -0.0409296 5.5739840 4 Zr 5.4435442 0.1779603 0.7633279 0.1259846 5.6532820 -0.0432542 0.6658254 0.0409296 5.5739840 5 Zr 5.4435442 0.1779603 0.7633279 0.1259846 5.6532820 -0.0432542 0.6658254 0.0409296 5.5739840 6 Zr 5.4435442 0.1779603 -0.7633279 0.1259846 5.6532820 0.0432542 -0.6658254 -0.0409296 5.5739840 7 Zr 5.4435442 -0.1779603 0.7633279 -0.1259846 5.6532820 0.0432542 0.6658254 -0.0409296 5.5739840 8 Zr 5.4435442 -0.1779603 -0.7633279 -0.1259846 5.6532820 -0.0432542 -0.6658254 0.0409296 5.5739840 9 O -2.4654690 -0.0318448 -0.8203083 -0.1177208 -2.9426965 1.4112279 -0.6495741 1.5001476 -2.8546007 10 O -2.4654690 -0.0318448 0.8203083 -0.1177208 -2.9426965 -1.4112279 0.6495741 -1.5001476 -2.8546007 11 O -2.9780752 -0.8188389 0.1127289 -0.9258533 -2.7105855 -1.2195398 0.0185914 -1.2195420 -2.7193833 12 O -2.9780752 -0.8188389 -0.1127289 -0.9258533 -2.7105855 1.2195398 -0.0185914 1.2195420 -2.7193833 13 O -2.9780752 0.8188389 0.1127289 0.9258533 -2.7105855 1.2195398 0.0185914 1.2195420 -2.7193833 14 O -2.9780752 0.8188389 -0.1127289 0.9258533 -2.7105855 -1.2195398 -0.0185914 -1.2195420 -2.7193833 15 O -2.4654690 0.0318448 0.8203083 0.1177208 -2.9426965 1.4112279 0.6495741 1.5001476 -2.8546007 16 O -2.4654690 0.0318448 -0.8203083 0.1177208 -2.9426965 -1.4112279 -0.6495741 -1.5001476 -2.8546007 17 O -2.4654690 0.0318448 0.8203083 0.1177208 -2.9426965 1.4112279 0.6495741 1.5001476 -2.8546007 18 O -2.4654690 0.0318448 -0.8203083 0.1177208 -2.9426965 -1.4112279 -0.6495741 -1.5001476 -2.8546007 19 O -2.9780752 0.8188389 -0.1127289 0.9258533 -2.7105855 -1.2195398 -0.0185914 -1.2195420 -2.7193833 20 O -2.9780752 0.8188389 0.1127289 0.9258533 -2.7105855 1.2195398 0.0185914 1.2195420 -2.7193833 21 O -2.9780752 -0.8188389 -0.1127289 -0.9258533 -2.7105855 1.2195398 -0.0185914 1.2195420 -2.7193833 22 O -2.9780752 -0.8188389 0.1127289 -0.9258533 -2.7105855 -1.2195398 0.0185914 -1.2195420 -2.7193833 23 O -2.4654690 -0.0318448 0.8203083 -0.1177208 -2.9426965 -1.4112279 0.6495741 -1.5001476 -2.8546007 24 O -2.4654690 -0.0318448 -0.8203083 -0.1177208 -2.9426965 1.4112279 -0.6495741 1.5001476 -2.8546007 ---------------------------------------------------------------------------- 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: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.562 Solver_block: 200 / 400 - Time: 1.538 Solver_block: 300 / 400 - Time: 1.525 Solver_block: 400 / 400 - Time: 1.539 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.194 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:18:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:18:55]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.528651690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.962638439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.757895880000000 Atomic positions (fractional): 1 Zr 0.14779212279730 0.12987172612716 0.90677284195996 91.224 2 Zr 0.64779212279730 0.12987172612716 0.59322715804004 91.224 3 Zr 0.14779212279730 0.37012827387284 0.40677284195996 91.224 4 Zr 0.64779212279730 0.37012827387284 0.09322715804004 91.224 5 Zr 0.35220787720270 0.62987172612716 0.90677284195996 91.224 6 Zr 0.85220787720270 0.62987172612716 0.59322715804004 91.224 7 Zr 0.35220787720270 0.87012827387284 0.40677284195996 91.224 8 Zr 0.85220787720270 0.87012827387284 0.09322715804004 91.224 9 O 0.82959744360477 0.01481847807932 0.84466784044785 15.999 10 O 0.32959744360477 0.01481847807932 0.65533215955215 15.999 11 O 0.47587948213352 0.23201777381364 0.87571306164830 15.999 12 O 0.97587948213352 0.23201777381364 0.62428693835170 15.999 13 O 0.47587948213352 0.26798222618635 0.37571306164830 15.999 14 O 0.97587948213352 0.26798222618635 0.12428693835170 15.999 15 O 0.32959744360477 0.48518152192068 0.15533215955215 15.999 16 O 0.82959744360477 0.48518152192068 0.34466784044785 15.999 17 O 0.67040255639523 0.51481847807932 0.84466784044785 15.999 18 O 0.17040255639523 0.51481847807932 0.65533215955215 15.999 19 O 0.02412051786648 0.73201777381364 0.87571306164830 15.999 20 O 0.52412051786648 0.73201777381364 0.62428693835170 15.999 21 O 0.02412051786648 0.76798222618636 0.37571306164830 15.999 22 O 0.52412051786648 0.76798222618636 0.12428693835170 15.999 23 O 0.67040255639523 0.98518152192068 0.34466784044785 15.999 24 O 0.17040255639523 0.98518152192068 0.15533215955215 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.057303380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.962638439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.515791760000001 Atomic positions (fractional): 1 Zr 0.07389606139865 0.12987172612716 0.45338642097998 91.224 > 1 2 Zr 0.57389606139865 0.12987172612716 0.45338642097998 91.224 > 1 3 Zr 0.07389606139865 0.12987172612716 0.95338642097998 91.224 > 1 4 Zr 0.57389606139865 0.12987172612716 0.95338642097998 91.224 > 1 5 Zr 0.32389606139865 0.12987172612716 0.29661357902002 91.224 > 5 6 Zr 0.82389606139865 0.12987172612716 0.29661357902002 91.224 > 5 7 Zr 0.32389606139865 0.12987172612716 0.79661357902002 91.224 > 5 8 Zr 0.82389606139865 0.12987172612716 0.79661357902002 91.224 > 5 9 Zr 0.07389606139865 0.37012827387284 0.20338642097998 91.224 > 9 10 Zr 0.57389606139865 0.37012827387284 0.20338642097998 91.224 > 9 11 Zr 0.07389606139865 0.37012827387284 0.70338642097998 91.224 > 9 12 Zr 0.57389606139865 0.37012827387284 0.70338642097998 91.224 > 9 13 Zr 0.32389606139865 0.37012827387284 0.04661357902002 91.224 > 13 14 Zr 0.82389606139865 0.37012827387284 0.04661357902002 91.224 > 13 15 Zr 0.32389606139865 0.37012827387284 0.54661357902002 91.224 > 13 16 Zr 0.82389606139865 0.37012827387284 0.54661357902002 91.224 > 13 17 Zr 0.17610393860135 0.62987172612716 0.45338642097998 91.224 > 17 18 Zr 0.67610393860135 0.62987172612716 0.45338642097998 91.224 > 17 19 Zr 0.17610393860135 0.62987172612716 0.95338642097998 91.224 > 17 20 Zr 0.67610393860135 0.62987172612716 0.95338642097998 91.224 > 17 21 Zr 0.42610393860135 0.62987172612716 0.29661357902002 91.224 > 21 22 Zr 0.92610393860135 0.62987172612716 0.29661357902002 91.224 > 21 23 Zr 0.42610393860135 0.62987172612716 0.79661357902002 91.224 > 21 24 Zr 0.92610393860135 0.62987172612716 0.79661357902002 91.224 > 21 25 Zr 0.17610393860135 0.87012827387284 0.20338642097998 91.224 > 25 26 Zr 0.67610393860135 0.87012827387284 0.20338642097998 91.224 > 25 27 Zr 0.17610393860135 0.87012827387284 0.70338642097998 91.224 > 25 28 Zr 0.67610393860135 0.87012827387284 0.70338642097998 91.224 > 25 29 Zr 0.42610393860135 0.87012827387284 0.04661357902002 91.224 > 29 30 Zr 0.92610393860135 0.87012827387284 0.04661357902002 91.224 > 29 31 Zr 0.42610393860135 0.87012827387284 0.54661357902002 91.224 > 29 32 Zr 0.92610393860135 0.87012827387284 0.54661357902002 91.224 > 29 33 O 0.41479872180238 0.01481847807932 0.42233392022392 15.999 > 33 34 O 0.91479872180238 0.01481847807932 0.42233392022392 15.999 > 33 35 O 0.41479872180238 0.01481847807932 0.92233392022392 15.999 > 33 36 O 0.91479872180238 0.01481847807932 0.92233392022392 15.999 > 33 37 O 0.16479872180238 0.01481847807932 0.32766607977608 15.999 > 37 38 O 0.66479872180238 0.01481847807932 0.32766607977608 15.999 > 37 39 O 0.16479872180238 0.01481847807932 0.82766607977608 15.999 > 37 40 O 0.66479872180238 0.01481847807932 0.82766607977608 15.999 > 37 41 O 0.23793974106676 0.23201777381364 0.43785653082415 15.999 > 41 42 O 0.73793974106676 0.23201777381364 0.43785653082415 15.999 > 41 43 O 0.23793974106676 0.23201777381364 0.93785653082415 15.999 > 41 44 O 0.73793974106676 0.23201777381364 0.93785653082415 15.999 > 41 45 O 0.48793974106676 0.23201777381364 0.31214346917585 15.999 > 45 46 O 0.98793974106676 0.23201777381364 0.31214346917585 15.999 > 45 47 O 0.48793974106676 0.23201777381364 0.81214346917585 15.999 > 45 48 O 0.98793974106676 0.23201777381364 0.81214346917585 15.999 > 45 49 O 0.23793974106676 0.26798222618635 0.18785653082415 15.999 > 49 50 O 0.73793974106676 0.26798222618635 0.18785653082415 15.999 > 49 51 O 0.23793974106676 0.26798222618635 0.68785653082415 15.999 > 49 52 O 0.73793974106676 0.26798222618635 0.68785653082415 15.999 > 49 53 O 0.48793974106676 0.26798222618635 0.06214346917585 15.999 > 53 54 O 0.98793974106676 0.26798222618635 0.06214346917585 15.999 > 53 55 O 0.48793974106676 0.26798222618635 0.56214346917585 15.999 > 53 56 O 0.98793974106676 0.26798222618635 0.56214346917585 15.999 > 53 57 O 0.16479872180238 0.48518152192068 0.07766607977608 15.999 > 57 58 O 0.66479872180238 0.48518152192068 0.07766607977608 15.999 > 57 59 O 0.16479872180238 0.48518152192068 0.57766607977608 15.999 > 57 60 O 0.66479872180238 0.48518152192068 0.57766607977608 15.999 > 57 61 O 0.41479872180238 0.48518152192068 0.17233392022392 15.999 > 61 62 O 0.91479872180238 0.48518152192068 0.17233392022392 15.999 > 61 63 O 0.41479872180238 0.48518152192068 0.67233392022392 15.999 > 61 64 O 0.91479872180238 0.48518152192068 0.67233392022392 15.999 > 61 65 O 0.33520127819762 0.51481847807932 0.42233392022392 15.999 > 65 66 O 0.83520127819762 0.51481847807932 0.42233392022392 15.999 > 65 67 O 0.33520127819762 0.51481847807932 0.92233392022392 15.999 > 65 68 O 0.83520127819762 0.51481847807932 0.92233392022392 15.999 > 65 69 O 0.08520127819762 0.51481847807932 0.32766607977608 15.999 > 69 70 O 0.58520127819762 0.51481847807932 0.32766607977608 15.999 > 69 71 O 0.08520127819762 0.51481847807932 0.82766607977608 15.999 > 69 72 O 0.58520127819762 0.51481847807932 0.82766607977608 15.999 > 69 73 O 0.01206025893324 0.73201777381364 0.43785653082415 15.999 > 73 74 O 0.51206025893324 0.73201777381364 0.43785653082415 15.999 > 73 75 O 0.01206025893324 0.73201777381364 0.93785653082415 15.999 > 73 76 O 0.51206025893324 0.73201777381364 0.93785653082415 15.999 > 73 77 O 0.26206025893324 0.73201777381364 0.31214346917585 15.999 > 77 78 O 0.76206025893324 0.73201777381364 0.31214346917585 15.999 > 77 79 O 0.26206025893324 0.73201777381364 0.81214346917585 15.999 > 77 80 O 0.76206025893324 0.73201777381364 0.81214346917585 15.999 > 77 81 O 0.01206025893324 0.76798222618636 0.18785653082415 15.999 > 81 82 O 0.51206025893324 0.76798222618636 0.18785653082415 15.999 > 81 83 O 0.01206025893324 0.76798222618636 0.68785653082415 15.999 > 81 84 O 0.51206025893324 0.76798222618636 0.68785653082415 15.999 > 81 85 O 0.26206025893324 0.76798222618636 0.06214346917585 15.999 > 85 86 O 0.76206025893324 0.76798222618636 0.06214346917585 15.999 > 85 87 O 0.26206025893324 0.76798222618636 0.56214346917585 15.999 > 85 88 O 0.76206025893324 0.76798222618636 0.56214346917585 15.999 > 85 89 O 0.33520127819762 0.98518152192068 0.17233392022392 15.999 > 89 90 O 0.83520127819762 0.98518152192068 0.17233392022392 15.999 > 89 91 O 0.33520127819762 0.98518152192068 0.67233392022392 15.999 > 89 92 O 0.83520127819762 0.98518152192068 0.67233392022392 15.999 > 89 93 O 0.08520127819762 0.98518152192068 0.07766607977608 15.999 > 93 94 O 0.58520127819762 0.98518152192068 0.07766607977608 15.999 > 93 95 O 0.08520127819762 0.98518152192068 0.57766607977608 15.999 > 93 96 O 0.58520127819762 0.98518152192068 0.57766607977608 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7527423 0.0000000 0.0000000 0.0000000 4.9215045 0.0000000 0.0000000 0.0000000 4.8650817 -------------------------- Born effective charges -------------------------- 1 Zr 5.4435442 -0.1779603 -0.7633279 -0.1259846 5.6532820 -0.0432542 -0.6658254 0.0409296 5.5739840 2 Zr 5.4435442 -0.1779603 0.7633279 -0.1259846 5.6532820 0.0432542 0.6658254 -0.0409296 5.5739840 3 Zr 5.4435442 0.1779603 -0.7633279 0.1259846 5.6532820 0.0432542 -0.6658254 -0.0409296 5.5739840 4 Zr 5.4435442 0.1779603 0.7633279 0.1259846 5.6532820 -0.0432542 0.6658254 0.0409296 5.5739840 5 Zr 5.4435442 0.1779603 0.7633279 0.1259846 5.6532820 -0.0432542 0.6658254 0.0409296 5.5739840 6 Zr 5.4435442 0.1779603 -0.7633279 0.1259846 5.6532820 0.0432542 -0.6658254 -0.0409296 5.5739840 7 Zr 5.4435442 -0.1779603 0.7633279 -0.1259846 5.6532820 0.0432542 0.6658254 -0.0409296 5.5739840 8 Zr 5.4435442 -0.1779603 -0.7633279 -0.1259846 5.6532820 -0.0432542 -0.6658254 0.0409296 5.5739840 9 O -2.4654690 -0.0318448 -0.8203083 -0.1177208 -2.9426965 1.4112279 -0.6495741 1.5001476 -2.8546007 10 O -2.4654690 -0.0318448 0.8203083 -0.1177208 -2.9426965 -1.4112279 0.6495741 -1.5001476 -2.8546007 11 O -2.9780752 -0.8188389 0.1127289 -0.9258533 -2.7105855 -1.2195398 0.0185914 -1.2195420 -2.7193833 12 O -2.9780752 -0.8188389 -0.1127289 -0.9258533 -2.7105855 1.2195398 -0.0185914 1.2195420 -2.7193833 13 O -2.9780752 0.8188389 0.1127289 0.9258533 -2.7105855 1.2195398 0.0185914 1.2195420 -2.7193833 14 O -2.9780752 0.8188389 -0.1127289 0.9258533 -2.7105855 -1.2195398 -0.0185914 -1.2195420 -2.7193833 15 O -2.4654690 0.0318448 0.8203083 0.1177208 -2.9426965 1.4112279 0.6495741 1.5001476 -2.8546007 16 O -2.4654690 0.0318448 -0.8203083 0.1177208 -2.9426965 -1.4112279 -0.6495741 -1.5001476 -2.8546007 17 O -2.4654690 0.0318448 0.8203083 0.1177208 -2.9426965 1.4112279 0.6495741 1.5001476 -2.8546007 18 O -2.4654690 0.0318448 -0.8203083 0.1177208 -2.9426965 -1.4112279 -0.6495741 -1.5001476 -2.8546007 19 O -2.9780752 0.8188389 -0.1127289 0.9258533 -2.7105855 -1.2195398 -0.0185914 -1.2195420 -2.7193833 20 O -2.9780752 0.8188389 0.1127289 0.9258533 -2.7105855 1.2195398 0.0185914 1.2195420 -2.7193833 21 O -2.9780752 -0.8188389 -0.1127289 -0.9258533 -2.7105855 1.2195398 -0.0185914 1.2195420 -2.7193833 22 O -2.9780752 -0.8188389 0.1127289 -0.9258533 -2.7105855 -1.2195398 0.0185914 -1.2195420 -2.7193833 23 O -2.4654690 -0.0318448 0.8203083 -0.1177208 -2.9426965 -1.4112279 0.6495741 -1.5001476 -2.8546007 24 O -2.4654690 -0.0318448 -0.8203083 -0.1177208 -2.9426965 1.4112279 -0.6495741 1.5001476 -2.8546007 ---------------------------------------------------------------------------- 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[ 41, 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) 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 2026-01-09 03:19:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:19:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.528651690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.962638439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.757895880000000 Atomic positions (fractional): 1 Zr 0.14779212279730 0.12987172612716 0.90677284195996 91.224 2 Zr 0.64779212279730 0.12987172612716 0.59322715804004 91.224 3 Zr 0.14779212279730 0.37012827387284 0.40677284195996 91.224 4 Zr 0.64779212279730 0.37012827387284 0.09322715804004 91.224 5 Zr 0.35220787720270 0.62987172612716 0.90677284195996 91.224 6 Zr 0.85220787720270 0.62987172612716 0.59322715804004 91.224 7 Zr 0.35220787720270 0.87012827387284 0.40677284195996 91.224 8 Zr 0.85220787720270 0.87012827387284 0.09322715804004 91.224 9 O 0.82959744360477 0.01481847807932 0.84466784044785 15.999 10 O 0.32959744360477 0.01481847807932 0.65533215955215 15.999 11 O 0.47587948213352 0.23201777381364 0.87571306164830 15.999 12 O 0.97587948213352 0.23201777381364 0.62428693835170 15.999 13 O 0.47587948213352 0.26798222618635 0.37571306164830 15.999 14 O 0.97587948213352 0.26798222618635 0.12428693835170 15.999 15 O 0.32959744360477 0.48518152192068 0.15533215955215 15.999 16 O 0.82959744360477 0.48518152192068 0.34466784044785 15.999 17 O 0.67040255639523 0.51481847807932 0.84466784044785 15.999 18 O 0.17040255639523 0.51481847807932 0.65533215955215 15.999 19 O 0.02412051786648 0.73201777381364 0.87571306164830 15.999 20 O 0.52412051786648 0.73201777381364 0.62428693835170 15.999 21 O 0.02412051786648 0.76798222618636 0.37571306164830 15.999 22 O 0.52412051786648 0.76798222618636 0.12428693835170 15.999 23 O 0.67040255639523 0.98518152192068 0.34466784044785 15.999 24 O 0.17040255639523 0.98518152192068 0.15533215955215 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.057303380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.962638439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.515791760000001 Atomic positions (fractional): 1 Zr 0.07389606139865 0.12987172612716 0.45338642097998 91.224 > 1 2 Zr 0.57389606139865 0.12987172612716 0.45338642097998 91.224 > 1 3 Zr 0.07389606139865 0.12987172612716 0.95338642097998 91.224 > 1 4 Zr 0.57389606139865 0.12987172612716 0.95338642097998 91.224 > 1 5 Zr 0.32389606139865 0.12987172612716 0.29661357902002 91.224 > 5 6 Zr 0.82389606139865 0.12987172612716 0.29661357902002 91.224 > 5 7 Zr 0.32389606139865 0.12987172612716 0.79661357902002 91.224 > 5 8 Zr 0.82389606139865 0.12987172612716 0.79661357902002 91.224 > 5 9 Zr 0.07389606139865 0.37012827387284 0.20338642097998 91.224 > 9 10 Zr 0.57389606139865 0.37012827387284 0.20338642097998 91.224 > 9 11 Zr 0.07389606139865 0.37012827387284 0.70338642097998 91.224 > 9 12 Zr 0.57389606139865 0.37012827387284 0.70338642097998 91.224 > 9 13 Zr 0.32389606139865 0.37012827387284 0.04661357902002 91.224 > 13 14 Zr 0.82389606139865 0.37012827387284 0.04661357902002 91.224 > 13 15 Zr 0.32389606139865 0.37012827387284 0.54661357902002 91.224 > 13 16 Zr 0.82389606139865 0.37012827387284 0.54661357902002 91.224 > 13 17 Zr 0.17610393860135 0.62987172612716 0.45338642097998 91.224 > 17 18 Zr 0.67610393860135 0.62987172612716 0.45338642097998 91.224 > 17 19 Zr 0.17610393860135 0.62987172612716 0.95338642097998 91.224 > 17 20 Zr 0.67610393860135 0.62987172612716 0.95338642097998 91.224 > 17 21 Zr 0.42610393860135 0.62987172612716 0.29661357902002 91.224 > 21 22 Zr 0.92610393860135 0.62987172612716 0.29661357902002 91.224 > 21 23 Zr 0.42610393860135 0.62987172612716 0.79661357902002 91.224 > 21 24 Zr 0.92610393860135 0.62987172612716 0.79661357902002 91.224 > 21 25 Zr 0.17610393860135 0.87012827387284 0.20338642097998 91.224 > 25 26 Zr 0.67610393860135 0.87012827387284 0.20338642097998 91.224 > 25 27 Zr 0.17610393860135 0.87012827387284 0.70338642097998 91.224 > 25 28 Zr 0.67610393860135 0.87012827387284 0.70338642097998 91.224 > 25 29 Zr 0.42610393860135 0.87012827387284 0.04661357902002 91.224 > 29 30 Zr 0.92610393860135 0.87012827387284 0.04661357902002 91.224 > 29 31 Zr 0.42610393860135 0.87012827387284 0.54661357902002 91.224 > 29 32 Zr 0.92610393860135 0.87012827387284 0.54661357902002 91.224 > 29 33 O 0.41479872180238 0.01481847807932 0.42233392022392 15.999 > 33 34 O 0.91479872180238 0.01481847807932 0.42233392022392 15.999 > 33 35 O 0.41479872180238 0.01481847807932 0.92233392022392 15.999 > 33 36 O 0.91479872180238 0.01481847807932 0.92233392022392 15.999 > 33 37 O 0.16479872180238 0.01481847807932 0.32766607977608 15.999 > 37 38 O 0.66479872180238 0.01481847807932 0.32766607977608 15.999 > 37 39 O 0.16479872180238 0.01481847807932 0.82766607977608 15.999 > 37 40 O 0.66479872180238 0.01481847807932 0.82766607977608 15.999 > 37 41 O 0.23793974106676 0.23201777381364 0.43785653082415 15.999 > 41 42 O 0.73793974106676 0.23201777381364 0.43785653082415 15.999 > 41 43 O 0.23793974106676 0.23201777381364 0.93785653082415 15.999 > 41 44 O 0.73793974106676 0.23201777381364 0.93785653082415 15.999 > 41 45 O 0.48793974106676 0.23201777381364 0.31214346917585 15.999 > 45 46 O 0.98793974106676 0.23201777381364 0.31214346917585 15.999 > 45 47 O 0.48793974106676 0.23201777381364 0.81214346917585 15.999 > 45 48 O 0.98793974106676 0.23201777381364 0.81214346917585 15.999 > 45 49 O 0.23793974106676 0.26798222618635 0.18785653082415 15.999 > 49 50 O 0.73793974106676 0.26798222618635 0.18785653082415 15.999 > 49 51 O 0.23793974106676 0.26798222618635 0.68785653082415 15.999 > 49 52 O 0.73793974106676 0.26798222618635 0.68785653082415 15.999 > 49 53 O 0.48793974106676 0.26798222618635 0.06214346917585 15.999 > 53 54 O 0.98793974106676 0.26798222618635 0.06214346917585 15.999 > 53 55 O 0.48793974106676 0.26798222618635 0.56214346917585 15.999 > 53 56 O 0.98793974106676 0.26798222618635 0.56214346917585 15.999 > 53 57 O 0.16479872180238 0.48518152192068 0.07766607977608 15.999 > 57 58 O 0.66479872180238 0.48518152192068 0.07766607977608 15.999 > 57 59 O 0.16479872180238 0.48518152192068 0.57766607977608 15.999 > 57 60 O 0.66479872180238 0.48518152192068 0.57766607977608 15.999 > 57 61 O 0.41479872180238 0.48518152192068 0.17233392022392 15.999 > 61 62 O 0.91479872180238 0.48518152192068 0.17233392022392 15.999 > 61 63 O 0.41479872180238 0.48518152192068 0.67233392022392 15.999 > 61 64 O 0.91479872180238 0.48518152192068 0.67233392022392 15.999 > 61 65 O 0.33520127819762 0.51481847807932 0.42233392022392 15.999 > 65 66 O 0.83520127819762 0.51481847807932 0.42233392022392 15.999 > 65 67 O 0.33520127819762 0.51481847807932 0.92233392022392 15.999 > 65 68 O 0.83520127819762 0.51481847807932 0.92233392022392 15.999 > 65 69 O 0.08520127819762 0.51481847807932 0.32766607977608 15.999 > 69 70 O 0.58520127819762 0.51481847807932 0.32766607977608 15.999 > 69 71 O 0.08520127819762 0.51481847807932 0.82766607977608 15.999 > 69 72 O 0.58520127819762 0.51481847807932 0.82766607977608 15.999 > 69 73 O 0.01206025893324 0.73201777381364 0.43785653082415 15.999 > 73 74 O 0.51206025893324 0.73201777381364 0.43785653082415 15.999 > 73 75 O 0.01206025893324 0.73201777381364 0.93785653082415 15.999 > 73 76 O 0.51206025893324 0.73201777381364 0.93785653082415 15.999 > 73 77 O 0.26206025893324 0.73201777381364 0.31214346917585 15.999 > 77 78 O 0.76206025893324 0.73201777381364 0.31214346917585 15.999 > 77 79 O 0.26206025893324 0.73201777381364 0.81214346917585 15.999 > 77 80 O 0.76206025893324 0.73201777381364 0.81214346917585 15.999 > 77 81 O 0.01206025893324 0.76798222618636 0.18785653082415 15.999 > 81 82 O 0.51206025893324 0.76798222618636 0.18785653082415 15.999 > 81 83 O 0.01206025893324 0.76798222618636 0.68785653082415 15.999 > 81 84 O 0.51206025893324 0.76798222618636 0.68785653082415 15.999 > 81 85 O 0.26206025893324 0.76798222618636 0.06214346917585 15.999 > 85 86 O 0.76206025893324 0.76798222618636 0.06214346917585 15.999 > 85 87 O 0.26206025893324 0.76798222618636 0.56214346917585 15.999 > 85 88 O 0.76206025893324 0.76798222618636 0.56214346917585 15.999 > 85 89 O 0.33520127819762 0.98518152192068 0.17233392022392 15.999 > 89 90 O 0.83520127819762 0.98518152192068 0.17233392022392 15.999 > 89 91 O 0.33520127819762 0.98518152192068 0.67233392022392 15.999 > 89 92 O 0.83520127819762 0.98518152192068 0.67233392022392 15.999 > 89 93 O 0.08520127819762 0.98518152192068 0.07766607977608 15.999 > 93 94 O 0.58520127819762 0.98518152192068 0.07766607977608 15.999 > 93 95 O 0.08520127819762 0.98518152192068 0.57766607977608 15.999 > 93 96 O 0.58520127819762 0.98518152192068 0.57766607977608 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7527423 0.0000000 0.0000000 0.0000000 4.9215045 0.0000000 0.0000000 0.0000000 4.8650817 -------------------------- Born effective charges -------------------------- 1 Zr 5.4435442 -0.1779603 -0.7633279 -0.1259846 5.6532820 -0.0432542 -0.6658254 0.0409296 5.5739840 2 Zr 5.4435442 -0.1779603 0.7633279 -0.1259846 5.6532820 0.0432542 0.6658254 -0.0409296 5.5739840 3 Zr 5.4435442 0.1779603 -0.7633279 0.1259846 5.6532820 0.0432542 -0.6658254 -0.0409296 5.5739840 4 Zr 5.4435442 0.1779603 0.7633279 0.1259846 5.6532820 -0.0432542 0.6658254 0.0409296 5.5739840 5 Zr 5.4435442 0.1779603 0.7633279 0.1259846 5.6532820 -0.0432542 0.6658254 0.0409296 5.5739840 6 Zr 5.4435442 0.1779603 -0.7633279 0.1259846 5.6532820 0.0432542 -0.6658254 -0.0409296 5.5739840 7 Zr 5.4435442 -0.1779603 0.7633279 -0.1259846 5.6532820 0.0432542 0.6658254 -0.0409296 5.5739840 8 Zr 5.4435442 -0.1779603 -0.7633279 -0.1259846 5.6532820 -0.0432542 -0.6658254 0.0409296 5.5739840 9 O -2.4654690 -0.0318448 -0.8203083 -0.1177208 -2.9426965 1.4112279 -0.6495741 1.5001476 -2.8546007 10 O -2.4654690 -0.0318448 0.8203083 -0.1177208 -2.9426965 -1.4112279 0.6495741 -1.5001476 -2.8546007 11 O -2.9780752 -0.8188389 0.1127289 -0.9258533 -2.7105855 -1.2195398 0.0185914 -1.2195420 -2.7193833 12 O -2.9780752 -0.8188389 -0.1127289 -0.9258533 -2.7105855 1.2195398 -0.0185914 1.2195420 -2.7193833 13 O -2.9780752 0.8188389 0.1127289 0.9258533 -2.7105855 1.2195398 0.0185914 1.2195420 -2.7193833 14 O -2.9780752 0.8188389 -0.1127289 0.9258533 -2.7105855 -1.2195398 -0.0185914 -1.2195420 -2.7193833 15 O -2.4654690 0.0318448 0.8203083 0.1177208 -2.9426965 1.4112279 0.6495741 1.5001476 -2.8546007 16 O -2.4654690 0.0318448 -0.8203083 0.1177208 -2.9426965 -1.4112279 -0.6495741 -1.5001476 -2.8546007 17 O -2.4654690 0.0318448 0.8203083 0.1177208 -2.9426965 1.4112279 0.6495741 1.5001476 -2.8546007 18 O -2.4654690 0.0318448 -0.8203083 0.1177208 -2.9426965 -1.4112279 -0.6495741 -1.5001476 -2.8546007 19 O -2.9780752 0.8188389 -0.1127289 0.9258533 -2.7105855 -1.2195398 -0.0185914 -1.2195420 -2.7193833 20 O -2.9780752 0.8188389 0.1127289 0.9258533 -2.7105855 1.2195398 0.0185914 1.2195420 -2.7193833 21 O -2.9780752 -0.8188389 -0.1127289 -0.9258533 -2.7105855 1.2195398 -0.0185914 1.2195420 -2.7193833 22 O -2.9780752 -0.8188389 0.1127289 -0.9258533 -2.7105855 -1.2195398 0.0185914 -1.2195420 -2.7193833 23 O -2.4654690 -0.0318448 0.8203083 -0.1177208 -2.9426965 -1.4112279 0.6495741 -1.5001476 -2.8546007 24 O -2.4654690 -0.0318448 -0.8203083 -0.1177208 -2.9426965 1.4112279 -0.6495741 1.5001476 -2.8546007 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 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 2.880 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.619 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.864 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.271 ( 0.000 0.000 0.000) 0.000 7.577 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.530 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.668 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.750 ( 0.000 0.000 0.000) 0.000 9.810 ( 0.000 0.000 0.000) 0.000 9.824 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 10.155 ( 0.000 0.000 0.000) 0.000 11.172 ( 0.000 0.000 0.000) 0.000 11.226 ( 0.000 0.000 0.000) 0.000 11.646 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 12.581 ( 0.000 0.000 0.000) 0.000 12.863 ( 0.000 0.000 0.000) 0.000 13.045 ( 0.000 0.000 0.000) 0.000 13.057 ( 0.000 0.000 0.000) 0.000 13.369 ( 0.000 0.000 0.000) 0.000 13.479 ( 0.000 0.000 0.000) 0.000 13.487 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.079 ( 0.000 0.000 0.000) 0.000 14.195 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 14.652 ( 0.000 0.000 0.000) 0.000 15.038 ( 0.000 0.000 0.000) 0.000 15.791 ( 0.000 0.000 0.000) 0.000 16.037 ( 0.000 0.000 0.000) 0.000 16.179 ( 0.000 0.000 0.000) 0.000 16.838 ( 0.000 0.000 0.000) 0.000 17.350 ( 0.000 0.000 0.000) 0.000 17.689 ( 0.000 0.000 0.000) 0.000 18.035 ( 0.000 0.000 0.000) 0.000 18.813 ( 0.000 0.000 0.000) 0.000 18.911 ( 0.000 0.000 0.000) 0.000 21.718 ( 0.000 0.000 0.000) 0.000 22.286 ( 0.000 0.000 0.000) 0.000 22.578 ( 0.000 0.000 0.000) 0.000 23.102 ( 0.000 0.000 0.000) 0.000 23.465 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 37.850 0.000 0.000) 37.850 0.780 ( 37.913 0.000 0.000) 37.913 1.281 ( 59.916 0.000 0.000) 59.916 3.033 ( 13.476 0.000 0.000) 13.476 3.610 ( -8.579 0.000 0.000) 8.579 3.700 ( 7.468 0.000 0.000) 7.468 3.744 ( -3.516 0.000 0.000) 3.516 3.867 ( 4.277 0.000 0.000) 4.277 3.915 ( 7.589 0.000 0.000) 7.589 3.922 ( 4.241 0.000 0.000) 4.241 4.469 ( -11.649 0.000 0.000) 11.649 4.535 ( -14.511 0.000 0.000) 14.511 4.587 ( 0.778 0.000 0.000) 0.778 4.987 ( 7.152 0.000 0.000) 7.152 5.050 ( 8.564 0.000 0.000) 8.564 5.149 ( -4.886 0.000 0.000) 4.886 5.454 ( -16.220 0.000 0.000) 16.220 5.648 ( -2.824 0.000 0.000) 2.824 6.120 ( -3.354 0.000 0.000) 3.354 6.577 ( -27.263 0.000 0.000) 27.263 6.608 ( 17.692 0.000 0.000) 17.692 6.739 ( 13.361 0.000 0.000) 13.361 6.782 ( 4.451 0.000 0.000) 4.451 6.990 ( 4.158 0.000 0.000) 4.158 7.046 ( 5.328 0.000 0.000) 5.328 7.321 ( -3.437 0.000 0.000) 3.437 7.443 ( -16.925 0.000 0.000) 16.925 7.544 ( -3.496 0.000 0.000) 3.496 7.765 ( 9.963 0.000 0.000) 9.963 8.347 ( -6.621 0.000 0.000) 6.621 8.560 ( -9.822 0.000 0.000) 9.822 8.567 ( 20.118 0.000 0.000) 20.118 9.066 ( 25.846 0.000 0.000) 25.846 9.486 ( -14.734 0.000 0.000) 14.734 9.627 ( -17.142 0.000 0.000) 17.142 9.747 ( 0.282 0.000 0.000) 0.282 9.795 ( -6.986 0.000 0.000) 6.986 10.027 ( 12.199 0.000 0.000) 12.199 10.041 ( 5.007 0.000 0.000) 5.007 10.124 ( -3.866 0.000 0.000) 3.866 11.127 ( -8.833 0.000 0.000) 8.833 11.180 ( 0.521 0.000 0.000) 0.521 11.651 ( 0.867 0.000 0.000) 0.867 11.709 ( 4.847 0.000 0.000) 4.847 12.285 ( -2.049 0.000 0.000) 2.049 12.944 ( 6.843 0.000 0.000) 6.843 13.006 ( -3.316 0.000 0.000) 3.316 13.054 ( -0.430 0.000 0.000) 0.430 13.378 ( 0.633 0.000 0.000) 0.633 13.453 ( -3.020 0.000 0.000) 3.020 13.528 ( 3.811 0.000 0.000) 3.811 13.963 ( -8.387 0.000 0.000) 8.387 14.014 ( -6.000 0.000 0.000) 6.000 14.180 ( -1.528 0.000 0.000) 1.528 14.273 ( 3.752 0.000 0.000) 3.752 14.613 ( -4.809 0.000 0.000) 4.809 15.014 ( -6.537 0.000 0.000) 6.537 15.040 ( 0.627 0.000 0.000) 0.627 15.771 ( -19.174 0.000 0.000) 19.174 16.137 ( -4.212 0.000 0.000) 4.212 17.119 ( 20.662 0.000 0.000) 20.662 17.386 ( 3.339 0.000 0.000) 3.339 17.700 ( 1.031 0.000 0.000) 1.031 18.026 ( -0.952 0.000 0.000) 0.952 18.898 ( 8.144 0.000 0.000) 8.144 18.939 ( 3.202 0.000 0.000) 3.202 20.856 ( -6.293 0.000 0.000) 6.293 21.776 ( 5.546 0.000 0.000) 5.546 22.125 ( -15.468 0.000 0.000) 15.468 22.605 ( 2.629 0.000 0.000) 2.629 23.068 ( -3.457 0.000 0.000) 3.457 23.652 ( -5.829 0.000 0.000) 5.829 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 33.909 0.000 0.000) 33.909 1.512 ( 35.640 0.000 0.000) 35.640 2.288 ( 36.784 0.000 0.000) 36.784 3.303 ( 9.900 0.000 0.000) 9.900 3.343 ( -14.647 0.000 0.000) 14.647 3.665 ( -4.161 0.000 0.000) 4.161 3.770 ( -3.381 0.000 0.000) 3.381 4.016 ( 10.142 0.000 0.000) 10.142 4.092 ( 9.519 0.000 0.000) 9.519 4.179 ( 17.873 0.000 0.000) 17.873 4.314 ( -4.930 0.000 0.000) 4.930 4.432 ( 12.978 0.000 0.000) 12.978 4.549 ( -6.420 0.000 0.000) 6.420 4.976 ( -30.036 0.000 0.000) 30.036 5.012 ( -6.854 0.000 0.000) 6.854 5.058 ( 1.213 0.000 0.000) 1.213 5.205 ( 7.169 0.000 0.000) 7.169 5.644 ( 2.557 0.000 0.000) 2.557 5.933 ( -15.875 0.000 0.000) 15.875 6.122 ( -14.059 0.000 0.000) 14.059 6.776 ( -5.165 0.000 0.000) 5.165 6.798 ( -7.093 0.000 0.000) 7.093 7.069 ( 26.252 0.000 0.000) 26.252 7.172 ( 1.200 0.000 0.000) 1.200 7.263 ( 8.551 0.000 0.000) 8.551 7.308 ( 3.838 0.000 0.000) 3.838 7.363 ( 27.126 0.000 0.000) 27.126 7.425 ( -8.240 0.000 0.000) 8.240 7.922 ( 3.491 0.000 0.000) 3.491 8.258 ( -2.392 0.000 0.000) 2.392 8.328 ( -12.207 0.000 0.000) 12.207 8.886 ( 5.511 0.000 0.000) 5.511 9.176 ( -25.929 0.000 0.000) 25.929 9.211 ( -7.440 0.000 0.000) 7.440 9.464 ( 8.627 0.000 0.000) 8.627 9.591 ( -12.918 0.000 0.000) 12.918 9.856 ( 14.451 0.000 0.000) 14.451 9.971 ( -11.734 0.000 0.000) 11.734 10.084 ( -4.644 0.000 0.000) 4.644 10.271 ( 11.597 0.000 0.000) 11.597 10.960 ( -4.580 0.000 0.000) 4.580 11.182 ( -0.435 0.000 0.000) 0.435 11.701 ( 4.647 0.000 0.000) 4.647 11.844 ( 8.102 0.000 0.000) 8.102 12.275 ( 1.844 0.000 0.000) 1.844 12.933 ( -3.584 0.000 0.000) 3.584 13.035 ( -1.634 0.000 0.000) 1.634 13.088 ( 6.718 0.000 0.000) 6.718 13.329 ( -9.659 0.000 0.000) 9.659 13.388 ( 0.358 0.000 0.000) 0.358 13.603 ( 1.380 0.000 0.000) 1.380 13.806 ( -5.852 0.000 0.000) 5.852 13.887 ( -4.068 0.000 0.000) 4.068 14.136 ( -2.781 0.000 0.000) 2.781 14.374 ( 6.077 0.000 0.000) 6.077 14.428 ( -13.367 0.000 0.000) 13.367 14.835 ( -10.819 0.000 0.000) 10.819 15.082 ( 3.888 0.000 0.000) 3.888 15.421 ( -14.766 0.000 0.000) 14.766 16.013 ( -7.909 0.000 0.000) 7.909 17.472 ( 4.926 0.000 0.000) 4.926 17.502 ( 15.696 0.000 0.000) 15.696 17.728 ( 1.635 0.000 0.000) 1.635 17.992 ( -2.547 0.000 0.000) 2.547 19.073 ( 11.076 0.000 0.000) 11.076 19.122 ( 13.509 0.000 0.000) 13.509 20.674 ( -11.579 0.000 0.000) 11.579 21.698 ( -26.030 0.000 0.000) 26.030 21.927 ( 9.137 0.000 0.000) 9.137 22.681 ( 4.772 0.000 0.000) 4.772 22.962 ( -7.064 0.000 0.000) 7.064 23.494 ( -9.335 0.000 0.000) 9.335 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 27.463 0.000 0.000) 27.463 2.191 ( 31.673 0.000 0.000) 31.673 2.725 ( 9.742 0.000 0.000) 9.742 3.130 ( -4.232 0.000 0.000) 4.232 3.368 ( -2.272 0.000 0.000) 2.272 3.567 ( -6.598 0.000 0.000) 6.598 3.584 ( -12.320 0.000 0.000) 12.320 4.180 ( -2.203 0.000 0.000) 2.203 4.189 ( -30.630 0.000 0.000) 30.630 4.243 ( 10.948 0.000 0.000) 10.948 4.319 ( 3.586 0.000 0.000) 3.586 4.425 ( -20.217 0.000 0.000) 20.217 4.578 ( 19.520 0.000 0.000) 19.520 4.889 ( 15.914 0.000 0.000) 15.914 4.994 ( 6.938 0.000 0.000) 6.938 5.203 ( 23.224 0.000 0.000) 23.224 5.342 ( 6.497 0.000 0.000) 6.497 5.668 ( -8.267 0.000 0.000) 8.267 5.748 ( 9.445 0.000 0.000) 9.445 5.934 ( -6.079 0.000 0.000) 6.079 6.527 ( -16.751 0.000 0.000) 16.751 6.660 ( -4.802 0.000 0.000) 4.802 7.139 ( -15.286 0.000 0.000) 15.286 7.244 ( 5.800 0.000 0.000) 5.800 7.428 ( 6.001 0.000 0.000) 6.001 7.551 ( 15.820 0.000 0.000) 15.820 7.682 ( 27.568 0.000 0.000) 27.568 7.916 ( -1.830 0.000 0.000) 1.830 7.929 ( 27.895 0.000 0.000) 27.895 8.016 ( -21.589 0.000 0.000) 21.589 8.236 ( -0.909 0.000 0.000) 0.909 8.680 ( -16.956 0.000 0.000) 16.956 8.733 ( -12.244 0.000 0.000) 12.244 9.295 ( 7.401 0.000 0.000) 7.401 9.296 ( -15.757 0.000 0.000) 15.757 9.492 ( -1.792 0.000 0.000) 1.792 9.655 ( -19.192 0.000 0.000) 19.192 9.785 ( -23.190 0.000 0.000) 23.190 10.224 ( 17.751 0.000 0.000) 17.751 10.473 ( 7.989 0.000 0.000) 7.989 10.988 ( 5.196 0.000 0.000) 5.196 11.166 ( -1.061 0.000 0.000) 1.061 11.842 ( 8.887 0.000 0.000) 8.887 12.006 ( 7.140 0.000 0.000) 7.140 12.378 ( 8.487 0.000 0.000) 8.487 12.871 ( -2.348 0.000 0.000) 2.348 12.979 ( -4.322 0.000 0.000) 4.322 13.103 ( -11.310 0.000 0.000) 11.310 13.199 ( 4.289 0.000 0.000) 4.289 13.399 ( 0.963 0.000 0.000) 0.963 13.510 ( -8.428 0.000 0.000) 8.428 13.716 ( -4.655 0.000 0.000) 4.655 13.941 ( 7.772 0.000 0.000) 7.772 14.073 ( -3.281 0.000 0.000) 3.281 14.140 ( -12.757 0.000 0.000) 12.757 14.516 ( 8.094 0.000 0.000) 8.094 14.599 ( -12.252 0.000 0.000) 12.252 15.162 ( -11.830 0.000 0.000) 11.830 15.200 ( 7.703 0.000 0.000) 7.703 15.827 ( -10.421 0.000 0.000) 10.421 17.578 ( 5.609 0.000 0.000) 5.609 17.724 ( 6.605 0.000 0.000) 6.605 17.762 ( 1.706 0.000 0.000) 1.706 17.921 ( -4.477 0.000 0.000) 4.477 19.399 ( 21.112 0.000 0.000) 21.112 19.421 ( 15.900 0.000 0.000) 15.900 20.403 ( -15.012 0.000 0.000) 15.012 21.118 ( -30.790 0.000 0.000) 30.790 22.130 ( 10.788 0.000 0.000) 10.788 22.791 ( -9.725 0.000 0.000) 9.725 22.793 ( 6.346 0.000 0.000) 6.346 23.296 ( -10.032 0.000 0.000) 10.032 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 17.674 0.000 0.000) 17.674 2.775 ( 26.781 0.000 0.000) 26.781 2.795 ( -2.490 0.000 0.000) 2.490 3.234 ( 14.340 0.000 0.000) 14.340 3.292 ( -22.834 0.000 0.000) 22.834 3.296 ( -2.301 0.000 0.000) 2.301 3.360 ( -8.516 0.000 0.000) 8.516 3.618 ( -22.612 0.000 0.000) 22.612 4.083 ( -4.313 0.000 0.000) 4.313 4.111 ( -9.082 0.000 0.000) 9.082 4.385 ( 2.245 0.000 0.000) 2.245 4.386 ( 2.914 0.000 0.000) 2.914 4.902 ( 11.216 0.000 0.000) 11.216 5.001 ( 0.662 0.000 0.000) 0.662 5.234 ( 14.362 0.000 0.000) 14.362 5.468 ( 6.020 0.000 0.000) 6.020 5.501 ( -10.989 0.000 0.000) 10.989 5.543 ( 1.549 0.000 0.000) 1.549 5.938 ( 7.548 0.000 0.000) 7.548 6.189 ( -15.865 0.000 0.000) 15.865 6.291 ( 41.222 0.000 0.000) 41.222 6.665 ( 8.537 0.000 0.000) 8.537 6.809 ( -16.349 0.000 0.000) 16.349 7.280 ( -41.822 0.000 0.000) 41.822 7.369 ( 6.168 0.000 0.000) 6.168 7.468 ( -2.592 0.000 0.000) 2.592 7.833 ( 10.976 0.000 0.000) 10.976 7.926 ( 1.641 0.000 0.000) 1.641 8.211 ( 0.270 0.000 0.000) 0.270 8.302 ( 24.431 0.000 0.000) 24.431 8.359 ( -13.598 0.000 0.000) 13.598 8.416 ( 16.350 0.000 0.000) 16.350 8.749 ( 11.313 0.000 0.000) 11.313 9.002 ( -11.584 0.000 0.000) 11.584 9.247 ( -18.837 0.000 0.000) 18.837 9.266 ( -24.315 0.000 0.000) 24.315 9.401 ( 3.336 0.000 0.000) 3.336 9.450 ( -2.077 0.000 0.000) 2.077 10.496 ( 8.767 0.000 0.000) 8.767 10.571 ( 1.122 0.000 0.000) 1.122 11.086 ( 3.802 0.000 0.000) 3.802 11.139 ( -1.723 0.000 0.000) 1.723 12.018 ( 7.333 0.000 0.000) 7.333 12.092 ( 0.560 0.000 0.000) 0.560 12.600 ( 12.707 0.000 0.000) 12.707 12.839 ( -9.914 0.000 0.000) 9.914 12.852 ( 0.802 0.000 0.000) 0.802 12.920 ( -6.301 0.000 0.000) 6.301 13.270 ( 3.233 0.000 0.000) 3.233 13.356 ( -5.937 0.000 0.000) 5.937 13.443 ( 4.033 0.000 0.000) 4.033 13.574 ( -8.448 0.000 0.000) 8.448 13.996 ( -1.806 0.000 0.000) 1.806 14.013 ( -2.458 0.000 0.000) 2.458 14.131 ( 10.516 0.000 0.000) 10.516 14.355 ( -11.755 0.000 0.000) 11.755 14.702 ( 10.428 0.000 0.000) 10.428 14.927 ( -11.615 0.000 0.000) 11.615 15.384 ( 10.388 0.000 0.000) 10.388 15.605 ( -11.309 0.000 0.000) 11.309 17.696 ( 6.035 0.000 0.000) 6.035 17.792 ( 1.051 0.000 0.000) 1.051 17.795 ( 1.145 0.000 0.000) 1.145 17.816 ( -5.800 0.000 0.000) 5.800 19.750 ( 16.644 0.000 0.000) 16.644 19.897 ( 27.737 0.000 0.000) 27.737 20.084 ( -16.479 0.000 0.000) 16.479 20.491 ( -30.913 0.000 0.000) 30.913 22.354 ( 11.330 0.000 0.000) 11.330 22.580 ( -11.063 0.000 0.000) 11.063 22.934 ( 7.685 0.000 0.000) 7.685 23.102 ( -9.060 0.000 0.000) 9.060 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 38.697 0.000) 38.697 0.882 ( 0.000 43.178 0.000) 43.178 1.421 ( 0.000 70.058 0.000) 70.058 2.705 ( 0.000 -17.261 0.000) 17.261 3.142 ( 0.000 -29.886 0.000) 29.886 3.659 ( 0.000 -0.142 0.000) 0.142 3.722 ( 0.000 -4.987 0.000) 4.987 3.908 ( 0.000 6.309 0.000) 6.309 4.051 ( 0.000 8.864 0.000) 8.864 4.115 ( 0.000 16.417 0.000) 16.417 4.615 ( 0.000 -8.370 0.000) 8.370 4.668 ( 0.000 4.311 0.000) 4.311 4.716 ( 0.000 -13.587 0.000) 13.587 4.780 ( 0.000 5.172 0.000) 5.172 4.932 ( 0.000 10.651 0.000) 10.651 5.098 ( 0.000 -15.082 0.000) 15.082 5.630 ( 0.000 -42.505 0.000) 42.505 5.710 ( 0.000 4.100 0.000) 4.100 5.743 ( 0.000 4.931 0.000) 4.931 6.230 ( 0.000 7.966 0.000) 7.966 6.240 ( 0.000 -11.873 0.000) 11.873 6.622 ( 0.000 -17.732 0.000) 17.732 6.910 ( 0.000 -5.774 0.000) 5.774 7.414 ( 0.000 27.845 0.000) 27.845 7.450 ( 0.000 13.445 0.000) 13.445 7.528 ( 0.000 -13.371 0.000) 13.371 7.652 ( 0.000 6.079 0.000) 6.079 7.991 ( 0.000 1.254 0.000) 1.254 8.053 ( 0.000 29.505 0.000) 29.505 8.242 ( 0.000 2.137 0.000) 2.137 8.350 ( 0.000 -7.693 0.000) 7.693 8.371 ( 0.000 -4.412 0.000) 4.412 8.575 ( 0.000 -6.573 0.000) 6.573 8.924 ( 0.000 15.019 0.000) 15.019 9.615 ( 0.000 -8.788 0.000) 8.788 9.713 ( 0.000 -0.126 0.000) 0.126 9.806 ( 0.000 -6.825 0.000) 6.825 9.905 ( 0.000 5.174 0.000) 5.174 9.961 ( 0.000 -13.503 0.000) 13.503 10.136 ( 0.000 -1.884 0.000) 1.884 11.242 ( 0.000 6.481 0.000) 6.481 11.330 ( 0.000 9.149 0.000) 9.149 11.638 ( 0.000 -2.360 0.000) 2.360 11.740 ( 0.000 -1.117 0.000) 1.117 12.359 ( 0.000 2.825 0.000) 2.825 12.561 ( 0.000 -1.987 0.000) 1.987 12.845 ( 0.000 -1.370 0.000) 1.370 12.994 ( 0.000 -4.605 0.000) 4.605 13.064 ( 0.000 0.887 0.000) 0.887 13.330 ( 0.000 -7.061 0.000) 7.061 13.663 ( 0.000 9.727 0.000) 9.727 13.978 ( 0.000 3.334 0.000) 3.334 14.007 ( 0.000 -4.889 0.000) 4.889 14.059 ( 0.000 0.030 0.000) 0.030 14.179 ( 0.000 -1.614 0.000) 1.614 14.693 ( 0.000 -11.129 0.000) 11.129 14.966 ( 0.000 10.978 0.000) 10.978 15.838 ( 0.000 4.356 0.000) 4.356 16.150 ( 0.000 -2.892 0.000) 2.892 16.366 ( 0.000 27.023 0.000) 27.023 16.494 ( 0.000 -25.655 0.000) 25.655 17.561 ( 0.000 10.602 0.000) 10.602 17.719 ( 0.000 2.893 0.000) 2.893 17.999 ( 0.000 -3.470 0.000) 3.470 18.650 ( 0.000 -12.971 0.000) 12.971 18.849 ( 0.000 -6.040 0.000) 6.040 21.850 ( 0.000 11.739 0.000) 11.739 22.216 ( 0.000 0.866 0.000) 0.866 22.280 ( 0.000 -0.596 0.000) 0.596 22.526 ( 0.000 -5.222 0.000) 5.222 23.475 ( 0.000 0.988 0.000) 0.988 23.570 ( 0.000 -1.172 0.000) 1.172 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 17.663 22.382 0.000) 28.512 1.175 ( 24.933 32.203 0.000) 40.727 2.015 ( 41.278 51.163 0.000) 65.738 2.770 ( 5.110 -22.426 0.000) 23.001 3.230 ( 7.916 -28.367 0.000) 29.451 3.647 ( 0.051 3.070 0.000) 3.071 3.795 ( 7.787 -2.880 0.000) 8.302 3.929 ( 0.900 5.618 0.000) 5.689 4.021 ( -0.236 5.994 0.000) 5.999 4.106 ( 0.468 14.015 0.000) 14.023 4.476 ( -13.370 -5.790 0.000) 14.570 4.479 ( -7.544 0.214 0.000) 7.547 4.698 ( 1.170 6.145 0.000) 6.255 4.919 ( 4.376 -4.256 0.000) 6.104 5.000 ( 1.771 2.115 0.000) 2.758 5.136 ( 1.057 -3.234 0.000) 3.402 5.604 ( -10.384 8.384 0.000) 13.346 5.649 ( -0.928 -6.947 0.000) 7.009 5.849 ( 14.498 -36.859 0.000) 39.608 6.170 ( -5.341 1.387 0.000) 5.518 6.358 ( 5.022 -9.734 0.000) 10.953 6.606 ( -4.772 -20.789 0.000) 21.330 6.619 ( -16.018 -2.209 0.000) 16.170 7.350 ( -7.322 -10.120 0.000) 12.491 7.390 ( -10.450 21.058 0.000) 23.508 7.500 ( 0.894 7.899 0.000) 7.950 7.526 ( -0.434 25.724 0.000) 25.728 7.884 ( -7.657 32.703 0.000) 33.587 7.898 ( 14.963 8.057 0.000) 16.995 8.170 ( -9.319 -7.209 0.000) 11.782 8.493 ( 20.199 -7.076 0.000) 21.403 8.710 ( -4.833 3.991 0.000) 6.268 8.839 ( 3.365 -29.387 0.000) 29.579 9.044 ( 18.433 1.174 0.000) 18.470 9.599 ( -2.579 -6.367 0.000) 6.870 9.751 ( -11.907 4.335 0.000) 12.672 9.796 ( -6.289 -12.394 0.000) 13.898 10.012 ( 17.564 -0.456 0.000) 17.570 10.054 ( 13.762 -2.279 0.000) 13.949 10.110 ( -3.848 -1.985 0.000) 4.330 11.169 ( -10.933 8.793 0.000) 14.030 11.251 ( 0.648 6.564 0.000) 6.596 11.677 ( -4.184 -0.267 0.000) 4.193 11.680 ( 4.126 -3.012 0.000) 5.109 12.348 ( -0.501 5.505 0.000) 5.528 12.789 ( 9.094 -12.278 0.000) 15.279 12.951 ( 0.207 -4.899 0.000) 4.904 13.035 ( 14.699 -12.820 0.000) 19.505 13.060 ( -0.579 0.840 0.000) 1.020 13.328 ( -1.045 -7.253 0.000) 7.328 13.668 ( 0.265 8.600 0.000) 8.604 13.923 ( -6.681 -2.717 0.000) 7.212 14.005 ( 2.453 -0.453 0.000) 2.495 14.024 ( -3.382 1.062 0.000) 3.545 14.172 ( -0.672 -1.220 0.000) 1.393 14.633 ( -6.204 -8.072 0.000) 10.181 14.967 ( 0.231 6.860 0.000) 6.864 15.580 ( -18.547 18.765 0.000) 26.384 15.944 ( -22.024 7.277 0.000) 23.195 16.106 ( -4.490 -3.288 0.000) 5.566 16.906 ( 21.094 -6.797 0.000) 22.162 17.591 ( 2.763 8.392 0.000) 8.835 17.720 ( 0.311 2.565 0.000) 2.584 17.999 ( -0.447 -3.204 0.000) 3.235 18.736 ( 8.382 -11.147 0.000) 13.947 18.908 ( 6.156 -4.653 0.000) 7.717 21.583 ( -38.984 32.531 0.000) 50.774 21.902 ( 5.035 11.279 0.000) 12.352 22.111 ( -16.165 -1.417 0.000) 16.227 22.555 ( 2.815 -5.029 0.000) 5.763 23.202 ( -9.622 9.960 0.000) 13.849 23.603 ( -4.336 -4.142 0.000) 5.996 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 32.003 -1.986 0.000) 32.065 1.739 ( 29.146 21.427 0.000) 36.174 2.644 ( 11.058 1.381 0.000) 11.144 2.912 ( 14.230 5.281 0.000) 15.179 3.401 ( 7.268 -20.904 0.000) 22.132 3.675 ( 0.292 12.995 0.000) 12.998 3.879 ( -6.649 5.512 0.000) 8.636 4.022 ( 13.533 -0.606 0.000) 13.547 4.079 ( 5.836 -0.385 0.000) 5.849 4.170 ( 4.609 2.721 0.000) 5.352 4.247 ( -7.853 -5.787 0.000) 9.755 4.534 ( 17.408 10.321 0.000) 20.238 4.692 ( -2.982 2.907 0.000) 4.165 4.828 ( -16.014 -0.306 0.000) 16.016 4.943 ( -4.925 -3.746 0.000) 6.187 5.103 ( -3.564 1.403 0.000) 3.830 5.377 ( -7.936 7.855 0.000) 11.166 5.645 ( 1.750 0.592 0.000) 1.848 5.933 ( -14.605 0.273 0.000) 14.608 6.210 ( -8.246 9.893 0.000) 12.879 6.213 ( 11.462 -37.263 0.000) 38.986 6.507 ( 4.324 -24.698 0.000) 25.073 6.757 ( 18.029 -20.095 0.000) 26.997 7.243 ( -3.652 15.117 0.000) 15.552 7.274 ( -4.083 -12.911 0.000) 13.541 7.523 ( 4.242 11.135 0.000) 11.915 7.560 ( -3.430 23.110 0.000) 23.363 7.925 ( 12.821 28.819 0.000) 31.542 8.005 ( -6.824 -4.099 0.000) 7.960 8.146 ( 8.555 7.726 0.000) 11.527 8.498 ( -13.249 7.288 0.000) 15.121 8.719 ( -11.270 -26.834 0.000) 29.105 8.861 ( 15.121 -8.063 0.000) 17.137 9.209 ( -14.756 2.891 0.000) 15.036 9.480 ( 0.123 1.339 0.000) 1.344 9.592 ( -12.849 -10.471 0.000) 16.575 9.753 ( 13.199 -7.256 0.000) 15.062 9.960 ( -10.355 -2.609 0.000) 10.679 10.190 ( -0.330 8.861 0.000) 8.867 10.345 ( 12.114 5.258 0.000) 13.206 11.006 ( -3.580 5.984 0.000) 6.974 11.260 ( 0.129 7.270 0.000) 7.272 11.629 ( 0.529 -6.234 0.000) 6.256 11.792 ( 6.542 -5.060 0.000) 8.271 12.379 ( 4.186 9.258 0.000) 10.161 12.861 ( -1.461 -6.039 0.000) 6.213 12.948 ( 2.544 -8.659 0.000) 9.025 13.029 ( -2.790 -0.219 0.000) 2.799 13.241 ( -8.210 -6.648 0.000) 10.564 13.334 ( 12.003 -11.356 0.000) 16.524 13.657 ( -1.841 4.432 0.000) 4.799 13.810 ( -3.545 0.586 0.000) 3.593 13.974 ( 0.111 6.522 0.000) 6.523 14.056 ( 1.834 -5.900 0.000) 6.178 14.161 ( 0.128 -2.379 0.000) 2.382 14.434 ( -13.468 -2.120 0.000) 13.634 14.984 ( 1.627 -0.625 0.000) 1.742 15.235 ( -15.317 22.021 0.000) 26.824 15.564 ( -15.319 6.353 0.000) 16.584 15.975 ( -8.227 -4.071 0.000) 9.180 17.263 ( 14.163 -7.159 0.000) 15.870 17.658 ( 3.432 2.486 0.000) 4.238 17.732 ( 0.739 1.192 0.000) 1.403 17.970 ( -2.512 -2.627 0.000) 3.635 18.978 ( 15.677 -5.995 0.000) 16.784 19.103 ( 13.005 -2.917 0.000) 13.328 20.976 ( -23.923 22.691 0.000) 32.973 21.669 ( -26.689 -2.947 0.000) 26.851 22.040 ( 8.385 10.162 0.000) 13.175 22.635 ( 5.052 -4.554 0.000) 6.802 23.038 ( -8.114 6.971 0.000) 10.697 23.459 ( -9.048 -3.468 0.000) 9.690 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 29.852 -9.054 0.000) 31.195 2.294 ( 25.037 15.796 0.000) 29.604 2.698 ( 2.606 -18.515 0.000) 18.697 3.158 ( 7.585 20.672 0.000) 22.020 3.444 ( -4.864 -8.360 0.000) 9.672 3.598 ( -6.464 12.535 0.000) 14.103 3.690 ( -10.157 4.887 0.000) 11.272 4.025 ( -21.311 -10.197 0.000) 23.625 4.161 ( -2.417 -1.304 0.000) 2.746 4.229 ( -0.154 -10.092 0.000) 10.094 4.268 ( 10.471 1.656 0.000) 10.601 4.401 ( -14.928 -1.505 0.000) 15.004 4.680 ( 3.078 8.352 0.000) 8.901 4.862 ( 6.905 -2.515 0.000) 7.348 5.024 ( -0.668 -1.512 0.000) 1.653 5.259 ( 37.395 9.900 0.000) 38.684 5.285 ( -3.036 -6.008 0.000) 6.732 5.730 ( 8.202 -0.977 0.000) 8.260 5.807 ( 2.044 13.018 0.000) 13.178 6.068 ( -6.369 12.282 0.000) 13.836 6.171 ( -5.061 -18.589 0.000) 19.266 6.845 ( 13.187 -9.701 0.000) 16.371 7.058 ( -7.510 -8.822 0.000) 11.586 7.178 ( 13.563 -19.246 0.000) 23.545 7.203 ( 3.895 -2.920 0.000) 4.868 7.504 ( -0.081 19.421 0.000) 19.421 7.657 ( 4.623 0.661 0.000) 4.670 7.889 ( -8.611 -4.086 0.000) 9.531 8.163 ( -9.174 9.042 0.000) 12.881 8.240 ( 15.676 14.991 0.000) 21.690 8.264 ( -4.367 2.916 0.000) 5.251 8.447 ( -14.562 -19.939 0.000) 24.691 8.890 ( -8.563 13.720 0.000) 16.173 9.083 ( 6.608 -10.175 0.000) 12.132 9.304 ( -15.011 -5.195 0.000) 15.885 9.470 ( -1.265 -1.959 0.000) 2.331 9.654 ( -15.921 0.205 0.000) 15.922 10.012 ( -15.128 17.009 0.000) 22.763 10.131 ( 17.216 -8.616 0.000) 19.252 10.504 ( 3.921 1.887 0.000) 4.352 11.046 ( 5.781 5.861 0.000) 8.233 11.254 ( -0.704 8.212 0.000) 8.242 11.711 ( 7.054 -10.707 0.000) 12.822 11.917 ( 5.065 -8.188 0.000) 9.628 12.522 ( 9.431 11.725 0.000) 15.048 12.812 ( -2.360 -4.736 0.000) 5.292 12.943 ( -5.608 -2.848 0.000) 6.290 13.020 ( 4.757 -9.338 0.000) 10.480 13.034 ( -10.805 -5.379 0.000) 12.070 13.520 ( 6.702 1.134 0.000) 6.798 13.597 ( -3.705 7.091 0.000) 8.001 13.767 ( -2.256 4.682 0.000) 5.197 14.040 ( 5.007 6.541 0.000) 8.238 14.053 ( -1.819 -2.280 0.000) 2.917 14.134 ( -13.543 0.211 0.000) 13.545 14.197 ( 3.063 -11.487 0.000) 11.888 14.969 ( -10.863 19.801 0.000) 22.585 15.006 ( -1.266 -4.588 0.000) 4.759 15.347 ( -4.901 4.207 0.000) 6.459 15.786 ( -10.292 -4.450 0.000) 11.213 17.490 ( 9.140 -5.354 0.000) 10.592 17.715 ( 2.168 -3.030 0.000) 3.726 17.745 ( 0.535 -0.827 0.000) 0.985 17.898 ( -4.642 -2.521 0.000) 5.283 19.361 ( 21.604 -2.361 0.000) 21.733 19.413 ( 17.763 -1.337 0.000) 17.813 20.540 ( -20.420 11.633 0.000) 23.501 21.082 ( -30.796 -3.594 0.000) 31.005 22.227 ( 10.018 8.830 0.000) 13.354 22.753 ( 6.625 -3.995 0.000) 7.736 22.859 ( -9.749 6.281 0.000) 11.597 23.264 ( -9.941 -3.183 0.000) 10.438 ======================= Grid point 13 (10/75) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 22.817 -8.399 0.000) 24.314 2.691 ( 11.534 9.335 0.000) 14.839 2.846 ( 12.137 -10.005 0.000) 15.729 3.196 ( -18.888 -6.647 0.000) 20.023 3.255 ( 1.706 14.545 0.000) 14.645 3.393 ( -17.362 1.928 0.000) 17.469 3.508 ( 1.093 10.820 0.000) 10.875 3.657 ( -10.734 3.106 0.000) 11.174 4.047 ( -5.315 -2.804 0.000) 6.010 4.054 ( -7.789 -4.417 0.000) 8.954 4.363 ( 2.930 -5.149 0.000) 5.924 4.388 ( 1.482 -1.217 0.000) 1.918 4.826 ( 8.597 -4.094 0.000) 9.522 4.945 ( -1.911 -5.491 0.000) 5.814 5.095 ( 8.003 -10.353 0.000) 13.086 5.223 ( -4.092 -10.968 0.000) 11.706 5.685 ( 6.828 11.456 0.000) 13.337 5.814 ( -5.437 16.962 0.000) 17.812 6.044 ( 5.435 9.222 0.000) 10.704 6.114 ( 0.368 -3.883 0.000) 3.900 6.308 ( 39.626 2.385 0.000) 39.698 6.793 ( -13.440 -1.068 0.000) 13.483 6.865 ( 0.891 16.042 0.000) 16.067 7.332 ( -36.936 5.070 0.000) 37.283 7.463 ( 10.175 -3.904 0.000) 10.898 7.472 ( 8.578 -5.221 0.000) 10.042 7.567 ( 7.647 -8.591 0.000) 11.502 7.679 ( -2.180 -13.754 0.000) 13.925 8.147 ( -5.583 -5.021 0.000) 7.509 8.179 ( -9.936 -14.848 0.000) 17.866 8.276 ( 13.344 -3.947 0.000) 13.915 8.452 ( 1.258 -2.399 0.000) 2.709 8.916 ( 7.458 11.417 0.000) 13.636 9.049 ( -7.200 2.390 0.000) 7.586 9.147 ( 0.778 -1.754 0.000) 1.919 9.298 ( -14.202 1.939 0.000) 14.334 9.516 ( 3.403 9.287 0.000) 9.891 9.692 ( -14.062 19.061 0.000) 23.686 10.408 ( 9.776 -8.490 0.000) 12.948 10.523 ( -2.028 -4.844 0.000) 5.252 11.160 ( 4.707 7.112 0.000) 8.529 11.227 ( -2.123 8.253 0.000) 8.522 11.869 ( 7.418 -11.980 0.000) 14.091 11.963 ( -1.164 -11.054 0.000) 11.115 12.701 ( 7.137 5.141 0.000) 8.796 12.790 ( 0.679 -5.029 0.000) 5.074 12.823 ( -5.882 -2.555 0.000) 6.413 12.856 ( -6.200 -4.991 0.000) 7.959 13.185 ( 12.479 0.621 0.000) 12.495 13.466 ( -11.952 11.474 0.000) 16.568 13.610 ( 2.624 8.309 0.000) 8.713 13.667 ( -4.848 7.059 0.000) 8.563 13.975 ( -0.702 -1.996 0.000) 2.116 14.005 ( -2.528 -0.532 0.000) 2.583 14.175 ( 5.863 1.559 0.000) 6.067 14.242 ( 0.020 -10.285 0.000) 10.285 14.832 ( -1.612 12.399 0.000) 12.503 14.902 ( -6.870 0.588 0.000) 6.895 15.390 ( 7.253 -1.106 0.000) 7.337 15.575 ( -10.367 -3.727 0.000) 11.016 17.652 ( 7.258 -3.599 0.000) 8.101 17.744 ( 0.803 -4.483 0.000) 4.554 17.751 ( 0.026 -3.129 0.000) 3.130 17.788 ( -6.216 -2.742 0.000) 6.794 19.756 ( 18.670 0.785 0.000) 18.686 19.879 ( 27.208 -1.692 0.000) 27.261 20.139 ( -19.486 5.010 0.000) 20.120 20.462 ( -30.350 -2.916 0.000) 30.490 22.436 ( 10.674 7.581 0.000) 13.093 22.652 ( -10.652 6.642 0.000) 12.554 22.899 ( 7.901 -3.502 0.000) 8.642 23.071 ( -9.146 -3.193 0.000) 9.688 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 35.810 0.000) 35.810 1.720 ( 0.000 40.086 0.000) 40.086 2.201 ( 0.000 -28.476 0.000) 28.476 2.482 ( 0.000 -35.600 0.000) 35.600 2.822 ( 0.000 65.898 0.000) 65.898 3.655 ( 0.000 -0.250 0.000) 0.250 3.666 ( 0.000 -1.053 0.000) 1.053 4.088 ( 0.000 -54.605 0.000) 54.605 4.092 ( 0.000 11.695 0.000) 11.695 4.264 ( 0.000 12.179 0.000) 12.179 4.318 ( 0.000 -3.714 0.000) 3.714 4.483 ( 0.000 -0.642 0.000) 0.642 4.540 ( 0.000 -17.613 0.000) 17.613 4.606 ( 0.000 -6.431 0.000) 6.431 5.098 ( 0.000 21.323 0.000) 21.323 5.132 ( 0.000 7.936 0.000) 7.936 5.258 ( 0.000 -6.071 0.000) 6.071 5.537 ( 0.000 -19.889 0.000) 19.889 5.920 ( 0.000 12.965 0.000) 12.965 6.210 ( 0.000 7.628 0.000) 7.628 6.245 ( 0.000 -18.515 0.000) 18.515 6.338 ( 0.000 -1.041 0.000) 1.041 6.886 ( 0.000 7.188 0.000) 7.188 7.177 ( 0.000 -18.461 0.000) 18.461 7.713 ( 0.000 9.062 0.000) 9.062 7.761 ( 0.000 3.290 0.000) 3.290 7.823 ( 0.000 14.414 0.000) 14.414 7.994 ( 0.000 -2.565 0.000) 2.565 8.215 ( 0.000 0.239 0.000) 0.239 8.262 ( 0.000 -5.069 0.000) 5.069 8.280 ( 0.000 1.248 0.000) 1.248 8.403 ( 0.000 -9.311 0.000) 9.311 8.791 ( 0.000 35.730 0.000) 35.730 9.200 ( 0.000 12.345 0.000) 12.345 9.424 ( 0.000 -10.196 0.000) 10.196 9.441 ( 0.000 -27.714 0.000) 27.714 9.725 ( 0.000 1.635 0.000) 1.635 9.785 ( 0.000 -4.534 0.000) 4.534 10.001 ( 0.000 4.439 0.000) 4.439 10.082 ( 0.000 -3.460 0.000) 3.460 11.401 ( 0.000 8.491 0.000) 8.491 11.533 ( 0.000 9.739 0.000) 9.739 11.553 ( 0.000 -6.157 0.000) 6.157 11.684 ( 0.000 -4.977 0.000) 4.977 12.429 ( 0.000 3.860 0.000) 3.860 12.504 ( 0.000 -3.466 0.000) 3.466 12.834 ( 0.000 0.899 0.000) 0.899 12.892 ( 0.000 -4.665 0.000) 4.665 13.105 ( 0.000 3.416 0.000) 3.416 13.200 ( 0.000 -5.820 0.000) 5.820 13.849 ( 0.000 7.106 0.000) 7.106 13.931 ( 0.000 -2.792 0.000) 2.792 14.057 ( 0.000 4.123 0.000) 4.123 14.105 ( 0.000 6.526 0.000) 6.526 14.131 ( 0.000 -3.116 0.000) 3.116 14.355 ( 0.000 -16.852 0.000) 16.852 15.389 ( 0.000 25.901 0.000) 25.901 15.941 ( 0.000 -28.301 0.000) 28.301 15.948 ( 0.000 6.147 0.000) 6.147 16.066 ( 0.000 -5.266 0.000) 5.266 16.970 ( 0.000 30.996 0.000) 30.996 17.507 ( 0.000 -18.302 0.000) 18.302 17.800 ( 0.000 4.960 0.000) 4.960 17.907 ( 0.000 -5.318 0.000) 5.318 18.518 ( 0.000 3.313 0.000) 3.313 18.683 ( 0.000 -9.855 0.000) 9.855 22.121 ( 0.000 13.874 0.000) 13.874 22.238 ( 0.000 1.249 0.000) 1.249 22.263 ( 0.000 -1.082 0.000) 1.082 22.369 ( 0.000 -10.331 0.000) 10.331 23.503 ( 0.000 1.686 0.000) 1.686 23.539 ( 0.000 -1.800 0.000) 1.800 ======================= Grid point 19 (12/75) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -1.951 35.590 0.000) 35.644 1.886 ( 15.388 36.590 0.000) 39.694 2.157 ( -3.095 -32.001 0.000) 32.150 2.600 ( 11.108 -33.935 0.000) 35.707 3.143 ( 24.749 52.540 0.000) 58.077 3.714 ( 7.925 0.957 0.000) 7.983 3.741 ( 6.955 -1.002 0.000) 7.027 4.040 ( -2.823 -14.094 0.000) 14.374 4.079 ( -1.828 9.387 0.000) 9.563 4.274 ( -4.990 -6.738 0.000) 8.384 4.397 ( -5.738 7.924 0.000) 9.784 4.435 ( 8.926 -0.672 0.000) 8.951 4.596 ( -1.584 -9.786 0.000) 9.913 4.697 ( 21.244 -29.911 0.000) 36.688 5.120 ( -2.181 6.016 0.000) 6.399 5.151 ( 2.867 19.789 0.000) 19.996 5.240 ( -1.478 -7.217 0.000) 7.367 5.545 ( -1.793 -15.868 0.000) 15.969 5.860 ( -5.236 12.062 0.000) 13.150 6.154 ( -5.780 5.184 0.000) 7.764 6.188 ( -6.181 -19.654 0.000) 20.603 6.299 ( -4.033 -5.508 0.000) 6.827 6.692 ( -12.404 12.816 0.000) 17.836 7.033 ( -8.033 -18.408 0.000) 20.084 7.699 ( 0.244 9.454 0.000) 9.457 7.750 ( -5.340 15.797 0.000) 16.675 7.869 ( 2.741 -7.480 0.000) 7.967 7.934 ( -7.089 9.696 0.000) 12.011 8.142 ( 8.954 -3.426 0.000) 9.587 8.295 ( 5.889 14.777 0.000) 15.907 8.339 ( -4.060 -11.977 0.000) 12.646 8.590 ( 8.228 -12.781 0.000) 15.200 8.809 ( 1.802 27.541 0.000) 27.600 9.191 ( 1.901 10.790 0.000) 10.956 9.388 ( -5.235 -26.295 0.000) 26.811 9.412 ( -0.586 -10.770 0.000) 10.786 9.888 ( -9.840 7.789 0.000) 12.550 10.000 ( 18.722 -0.382 0.000) 18.726 10.009 ( 21.388 -1.400 0.000) 21.434 10.031 ( -5.799 -5.868 0.000) 8.250 11.408 ( -10.305 12.370 0.000) 16.100 11.415 ( 1.268 8.955 0.000) 9.044 11.580 ( 2.566 -6.954 0.000) 7.413 11.607 ( -7.031 -6.821 0.000) 9.796 12.477 ( 4.418 6.844 0.000) 8.146 12.610 ( 9.145 -6.537 0.000) 11.241 12.857 ( 1.316 -2.977 0.000) 3.255 12.874 ( -0.414 -4.666 0.000) 4.684 13.100 ( -0.914 3.347 0.000) 3.469 13.194 ( -1.187 -5.862 0.000) 5.981 13.820 ( -2.970 5.277 0.000) 6.056 13.879 ( -4.298 -1.811 0.000) 4.664 14.063 ( 0.451 3.980 0.000) 4.005 14.096 ( -0.257 7.648 0.000) 7.652 14.133 ( 0.028 -2.749 0.000) 2.749 14.340 ( -1.377 -15.526 0.000) 15.587 15.327 ( -5.819 23.324 0.000) 24.039 15.790 ( -12.820 -19.934 0.000) 23.701 15.839 ( -9.876 9.770 0.000) 13.892 16.004 ( -6.000 -6.724 0.000) 9.012 17.089 ( 9.703 21.269 0.000) 23.378 17.519 ( 1.080 -16.275 0.000) 16.310 17.799 ( -0.160 5.039 0.000) 5.041 17.908 ( -0.157 -5.427 0.000) 5.429 18.631 ( 10.860 2.777 0.000) 11.209 18.769 ( 8.504 -8.383 0.000) 11.941 21.948 ( -25.594 9.143 0.000) 27.178 22.064 ( -18.744 -3.523 0.000) 19.072 22.164 ( 4.116 13.406 0.000) 14.024 22.404 ( 3.335 -9.982 0.000) 10.524 23.379 ( -8.434 7.338 0.000) 11.179 23.505 ( -5.094 -5.510 0.000) 7.504 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 14.590 21.672 0.000) 26.125 2.138 ( 2.321 -30.071 0.000) 30.160 2.277 ( 21.905 30.101 0.000) 37.227 2.885 ( 15.912 -29.242 0.000) 33.291 3.518 ( 9.134 29.527 0.000) 30.907 3.834 ( -0.551 -0.302 0.000) 0.628 3.984 ( -8.342 5.614 0.000) 10.055 3.987 ( 15.791 0.137 0.000) 15.792 4.061 ( 8.159 -3.044 0.000) 8.708 4.113 ( -9.957 -7.001 0.000) 12.172 4.309 ( -4.609 9.709 0.000) 10.747 4.521 ( -7.088 -10.969 0.000) 13.060 4.802 ( 28.594 13.484 0.000) 31.614 4.951 ( -5.415 5.472 0.000) 7.698 5.064 ( -4.206 -3.190 0.000) 5.278 5.085 ( -10.686 15.803 0.000) 19.077 5.359 ( -14.998 -9.533 0.000) 17.771 5.424 ( 27.478 -30.443 0.000) 41.010 5.775 ( -1.123 6.343 0.000) 6.441 6.034 ( -1.440 10.839 0.000) 10.934 6.049 ( -4.381 -19.430 0.000) 19.918 6.319 ( 6.573 -14.283 0.000) 15.722 6.562 ( -0.149 15.330 0.000) 15.330 6.944 ( -2.658 -19.089 0.000) 19.273 7.628 ( -5.376 21.756 0.000) 22.410 7.708 ( 0.687 7.780 0.000) 7.810 7.855 ( -2.441 -7.384 0.000) 7.777 7.965 ( 4.537 9.494 0.000) 10.522 8.169 ( -10.592 -14.648 0.000) 18.077 8.279 ( 3.464 -2.638 0.000) 4.354 8.403 ( 1.580 12.085 0.000) 12.188 8.555 ( -9.944 -2.334 0.000) 10.214 8.881 ( 5.528 12.994 0.000) 14.121 9.259 ( -6.579 -20.074 0.000) 21.124 9.289 ( 1.876 5.647 0.000) 5.950 9.433 ( 1.317 -7.194 0.000) 7.314 9.714 ( -1.262 5.076 0.000) 5.231 9.857 ( -10.210 -7.181 0.000) 12.483 10.328 ( 10.297 4.965 0.000) 11.431 10.393 ( 13.193 -1.032 0.000) 13.233 11.217 ( -6.203 13.302 0.000) 14.677 11.444 ( 1.472 10.353 0.000) 10.457 11.465 ( -4.980 -10.395 0.000) 11.526 11.646 ( 3.652 -9.161 0.000) 9.862 12.607 ( 7.838 12.193 0.000) 14.495 12.775 ( 6.158 -3.765 0.000) 7.218 12.812 ( -3.150 -1.633 0.000) 3.548 13.006 ( 12.387 -16.890 0.000) 20.945 13.044 ( -5.143 2.048 0.000) 5.536 13.117 ( -7.008 -5.164 0.000) 8.705 13.753 ( -2.382 4.454 0.000) 5.051 13.811 ( -1.424 -1.081 0.000) 1.787 14.067 ( -0.203 3.452 0.000) 3.458 14.111 ( 1.511 7.472 0.000) 7.624 14.127 ( -0.749 -2.131 0.000) 2.258 14.290 ( -4.341 -9.934 0.000) 10.841 15.184 ( -7.408 17.181 0.000) 18.710 15.512 ( -13.372 -11.890 0.000) 17.893 15.599 ( -13.001 14.785 0.000) 19.688 15.841 ( -9.739 -9.365 0.000) 13.511 17.289 ( 9.385 9.752 0.000) 13.534 17.548 ( 1.783 -12.245 0.000) 12.374 17.789 ( -0.965 4.323 0.000) 4.430 17.889 ( -1.978 -5.060 0.000) 5.433 18.930 ( 18.197 1.812 0.000) 18.287 19.014 ( 15.456 -5.290 0.000) 16.336 21.364 ( -29.982 14.540 0.000) 33.322 21.573 ( -28.470 -7.006 0.000) 29.320 22.278 ( 7.006 12.252 0.000) 14.114 22.497 ( 5.831 -9.121 0.000) 10.826 23.203 ( -9.030 8.547 0.000) 12.433 23.358 ( -8.876 -6.539 0.000) 11.025 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 23.082 7.445 0.000) 24.253 2.278 ( 11.922 -19.766 0.000) 23.083 2.708 ( 19.394 23.801 0.000) 30.703 3.169 ( 9.320 -19.814 0.000) 21.896 3.596 ( 1.509 17.607 0.000) 17.672 3.754 ( -13.108 2.505 0.000) 13.346 3.759 ( -4.973 1.535 0.000) 5.204 3.846 ( -18.452 -7.032 0.000) 19.747 4.157 ( -8.771 3.595 0.000) 9.479 4.167 ( -1.263 3.463 0.000) 3.686 4.267 ( 6.685 -3.070 0.000) 7.356 4.290 ( -13.445 -7.729 0.000) 15.509 4.814 ( 0.424 -0.757 0.000) 0.868 4.886 ( -5.232 11.319 0.000) 12.470 4.892 ( -6.280 -8.276 0.000) 10.389 5.112 ( -7.444 -10.610 0.000) 12.961 5.631 ( 44.006 22.446 0.000) 49.400 5.758 ( 5.671 5.617 0.000) 7.982 5.888 ( 6.441 -8.212 0.000) 10.436 6.135 ( 7.887 17.879 0.000) 19.542 6.291 ( 31.202 -32.453 0.000) 45.019 6.325 ( -6.278 7.196 0.000) 9.550 6.765 ( 17.222 -11.659 0.000) 20.797 6.867 ( -4.225 -13.453 0.000) 14.100 7.495 ( -9.016 21.297 0.000) 23.127 7.705 ( -2.283 3.694 0.000) 4.342 7.793 ( -5.189 -4.907 0.000) 7.142 7.908 ( -12.961 1.202 0.000) 13.017 8.014 ( -1.442 -3.207 0.000) 3.516 8.285 ( -14.255 3.791 0.000) 14.751 8.318 ( -9.827 0.922 0.000) 9.870 8.320 ( 0.268 -10.114 0.000) 10.118 9.006 ( 6.041 4.316 0.000) 7.424 9.159 ( -2.802 -8.499 0.000) 8.949 9.187 ( -7.053 13.786 0.000) 15.485 9.394 ( -5.324 -6.582 0.000) 8.466 9.709 ( -0.310 6.660 0.000) 6.667 9.913 ( 13.718 -12.035 0.000) 18.249 10.324 ( -9.153 12.551 0.000) 15.534 10.492 ( -2.675 -4.105 0.000) 4.900 11.222 ( 5.628 11.306 0.000) 12.630 11.464 ( 0.229 11.962 0.000) 11.965 11.470 ( 5.221 -12.706 0.000) 13.736 11.709 ( 2.044 -11.868 0.000) 12.042 12.700 ( 0.813 2.655 0.000) 2.777 12.747 ( -2.751 -2.214 0.000) 3.531 12.902 ( -8.034 -0.458 0.000) 8.047 12.936 ( -9.691 -3.674 0.000) 10.364 12.986 ( 16.232 10.583 0.000) 19.377 13.315 ( 16.922 -17.631 0.000) 24.438 13.745 ( 1.238 6.922 0.000) 7.032 13.833 ( 3.216 -0.419 0.000) 3.243 14.048 ( -1.784 2.355 0.000) 2.954 14.098 ( -2.193 -2.302 0.000) 3.179 14.101 ( -8.162 2.529 0.000) 8.545 14.158 ( -4.498 -1.018 0.000) 4.612 15.069 ( -3.622 10.435 0.000) 11.046 15.300 ( -6.415 -8.941 0.000) 11.004 15.344 ( -11.868 17.076 0.000) 20.795 15.632 ( -10.688 -11.135 0.000) 15.435 17.459 ( 7.604 3.145 0.000) 8.229 17.590 ( 2.464 -8.213 0.000) 8.574 17.758 ( -2.150 2.265 0.000) 3.123 17.827 ( -4.138 -4.087 0.000) 5.816 19.340 ( 22.088 0.563 0.000) 22.095 19.373 ( 20.041 -2.258 0.000) 20.168 20.784 ( -27.510 11.347 0.000) 29.758 20.973 ( -30.305 -7.347 0.000) 31.183 22.436 ( 8.593 10.869 0.000) 13.856 22.632 ( 7.402 -8.106 0.000) 10.977 23.014 ( -9.785 8.352 0.000) 12.865 23.167 ( -9.812 -6.461 0.000) 11.748 ======================= Grid point 22 (15/75) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 25.592 1.696 0.000) 25.648 2.614 ( 20.852 -10.393 0.000) 23.298 2.899 ( -7.831 9.644 0.000) 12.423 3.059 ( -20.051 -6.935 0.000) 21.217 3.490 ( -3.526 8.901 0.000) 9.574 3.597 ( -4.853 14.340 0.000) 15.139 3.669 ( 1.350 -4.679 0.000) 4.870 3.674 ( -0.711 4.755 0.000) 4.808 3.999 ( -5.715 1.324 0.000) 5.866 4.023 ( -7.614 3.190 0.000) 8.255 4.149 ( 0.692 -12.432 0.000) 12.452 4.245 ( -6.351 -13.655 0.000) 15.060 4.852 ( 0.722 -0.623 0.000) 0.953 4.855 ( 0.290 6.218 0.000) 6.225 4.923 ( 6.461 -6.440 0.000) 9.122 5.020 ( -3.504 -9.455 0.000) 10.084 5.907 ( 9.621 8.983 0.000) 13.162 6.039 ( 9.732 -4.651 0.000) 10.786 6.122 ( -10.478 11.920 0.000) 15.871 6.213 ( -4.889 4.048 0.000) 6.347 6.490 ( 37.243 17.176 0.000) 41.013 6.825 ( 0.745 6.974 0.000) 7.014 6.935 ( 27.898 -23.059 0.000) 36.194 7.122 ( 13.530 -20.537 0.000) 24.593 7.291 ( -8.063 16.515 0.000) 18.378 7.467 ( -24.646 7.574 0.000) 25.784 7.591 ( -9.796 -3.492 0.000) 10.399 7.630 ( -13.247 -9.979 0.000) 16.585 7.995 ( 0.544 6.519 0.000) 6.541 8.083 ( -8.904 0.509 0.000) 8.918 8.165 ( 1.777 -6.096 0.000) 6.350 8.264 ( -5.423 -14.242 0.000) 15.239 9.104 ( 2.441 3.266 0.000) 4.077 9.114 ( -0.741 8.439 0.000) 8.472 9.149 ( 2.588 -0.649 0.000) 2.668 9.255 ( -6.730 -5.251 0.000) 8.536 9.824 ( 9.988 18.291 0.000) 20.841 10.072 ( -13.803 17.595 0.000) 22.363 10.169 ( 11.214 -15.066 0.000) 18.781 10.365 ( -8.465 -11.231 0.000) 14.064 11.354 ( 6.086 11.663 0.000) 13.156 11.443 ( -2.612 12.531 0.000) 12.800 11.609 ( 6.945 -13.266 0.000) 14.974 11.708 ( -2.485 -13.479 0.000) 13.706 12.703 ( 0.761 -1.535 0.000) 1.713 12.718 ( 0.291 -2.378 0.000) 2.396 12.761 ( -5.267 -1.806 0.000) 5.568 12.774 ( -5.588 -2.805 0.000) 6.253 13.371 ( 20.690 14.857 0.000) 25.472 13.637 ( 13.510 -7.701 0.000) 15.551 13.744 ( -8.300 12.569 0.000) 15.063 13.814 ( -11.173 7.386 0.000) 13.394 13.920 ( 4.212 -2.234 0.000) 4.768 13.998 ( -3.130 0.289 0.000) 3.143 14.049 ( -1.773 -5.909 0.000) 6.169 14.084 ( -4.691 -10.482 0.000) 11.484 15.042 ( 1.488 12.205 0.000) 12.295 15.140 ( -7.997 16.402 0.000) 18.248 15.285 ( 4.258 -9.699 0.000) 10.592 15.428 ( -9.178 -11.213 0.000) 14.490 17.601 ( 6.602 -0.418 0.000) 6.615 17.646 ( 3.006 -4.429 0.000) 5.352 17.705 ( -3.034 -0.786 0.000) 3.134 17.727 ( -5.613 -2.636 0.000) 6.201 19.785 ( 22.453 2.105 0.000) 22.552 19.835 ( 25.475 -2.568 0.000) 25.604 20.259 ( -24.796 6.353 0.000) 25.597 20.378 ( -28.499 -5.242 0.000) 28.977 22.619 ( 9.471 9.591 0.000) 13.479 22.792 ( 8.506 -7.200 0.000) 11.144 22.814 ( -9.932 8.674 0.000) 13.186 22.972 ( -9.418 -6.601 0.000) 11.501 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 0.000 35.748) 35.748 0.866 ( 0.000 0.000 43.954) 43.954 1.390 ( 0.000 0.000 70.735) 70.735 2.861 ( 0.000 0.000 -1.691) 1.691 3.556 ( 0.000 0.000 -6.580) 6.580 3.599 ( 0.000 0.000 -14.126) 14.126 3.705 ( 0.000 0.000 -0.171) 0.171 3.713 ( 0.000 0.000 -15.651) 15.651 3.876 ( 0.000 0.000 6.929) 6.929 4.150 ( 0.000 0.000 21.529) 21.529 4.700 ( 0.000 0.000 -3.599) 3.599 4.808 ( 0.000 0.000 10.499) 10.499 4.873 ( 0.000 0.000 24.828) 24.828 4.965 ( 0.000 0.000 12.630) 12.630 4.977 ( 0.000 0.000 10.469) 10.469 5.132 ( 0.000 0.000 -3.864) 3.864 5.743 ( 0.000 0.000 8.601) 8.601 5.905 ( 0.000 0.000 20.661) 20.661 6.063 ( 0.000 0.000 -24.928) 24.928 6.126 ( 0.000 0.000 -1.025) 1.025 6.556 ( 0.000 0.000 4.560) 4.560 6.604 ( 0.000 0.000 -11.569) 11.569 6.750 ( 0.000 0.000 -12.697) 12.697 7.023 ( 0.000 0.000 -17.697) 17.697 7.098 ( 0.000 0.000 14.031) 14.031 7.179 ( 0.000 0.000 6.161) 6.161 7.603 ( 0.000 0.000 1.768) 1.768 8.064 ( 0.000 0.000 20.223) 20.223 8.156 ( 0.000 0.000 -10.261) 10.261 8.235 ( 0.000 0.000 -1.147) 1.147 8.486 ( 0.000 0.000 -3.042) 3.042 8.664 ( 0.000 0.000 0.740) 0.740 8.704 ( 0.000 0.000 4.677) 4.677 9.039 ( 0.000 0.000 -7.166) 7.166 9.545 ( 0.000 0.000 -13.480) 13.480 9.867 ( 0.000 0.000 13.787) 13.787 9.877 ( 0.000 0.000 0.277) 0.277 9.978 ( 0.000 0.000 8.362) 8.362 10.136 ( 0.000 0.000 -1.375) 1.375 10.270 ( 0.000 0.000 -7.961) 7.961 11.258 ( 0.000 0.000 2.657) 2.657 11.581 ( 0.000 0.000 -6.576) 6.576 11.629 ( 0.000 0.000 -2.781) 2.781 11.662 ( 0.000 0.000 -6.208) 6.208 11.784 ( 0.000 0.000 3.519) 3.519 12.553 ( 0.000 0.000 -3.760) 3.760 12.963 ( 0.000 0.000 9.189) 9.189 13.016 ( 0.000 0.000 -2.690) 2.690 13.111 ( 0.000 0.000 5.944) 5.944 13.343 ( 0.000 0.000 -6.115) 6.115 13.421 ( 0.000 0.000 -2.365) 2.365 14.011 ( 0.000 0.000 -0.686) 0.686 14.091 ( 0.000 0.000 -8.924) 8.924 14.124 ( 0.000 0.000 3.457) 3.457 14.414 ( 0.000 0.000 13.801) 13.801 14.790 ( 0.000 0.000 11.158) 11.158 14.895 ( 0.000 0.000 -11.893) 11.893 15.595 ( 0.000 0.000 -37.642) 37.642 15.871 ( 0.000 0.000 6.881) 6.881 16.139 ( 0.000 0.000 -4.517) 4.517 16.792 ( 0.000 0.000 -4.547) 4.547 16.849 ( 0.000 0.000 1.081) 1.081 17.541 ( 0.000 0.000 -34.217) 34.217 17.831 ( 0.000 0.000 5.780) 5.780 18.959 ( 0.000 0.000 7.961) 7.961 19.310 ( 0.000 0.000 36.754) 36.754 21.720 ( 0.000 0.000 0.121) 0.121 22.341 ( 0.000 0.000 5.164) 5.164 22.496 ( 0.000 0.000 -8.688) 8.688 22.613 ( 0.000 0.000 -0.667) 0.667 23.069 ( 0.000 0.000 -3.433) 3.433 23.368 ( 0.000 0.000 -9.539) 9.539 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 25.646 0.000 19.357) 32.131 1.149 ( 24.369 0.000 32.012) 40.232 1.937 ( 40.491 0.000 51.423) 65.451 2.976 ( 10.634 0.000 -3.609) 11.229 3.409 ( -11.178 0.000 -15.779) 19.337 3.652 ( 8.268 0.000 -5.268) 9.803 3.742 ( 2.307 0.000 -0.271) 2.323 3.877 ( 9.035 0.000 -8.081) 12.122 3.944 ( 7.614 0.000 5.337) 9.298 4.167 ( 1.770 0.000 22.082) 22.153 4.473 ( -12.474 0.000 1.267) 12.538 4.619 ( -12.317 0.000 10.801) 16.382 4.799 ( -5.814 0.000 19.425) 20.277 5.088 ( 6.825 0.000 9.273) 11.514 5.089 ( -5.124 0.000 -1.885) 5.460 5.109 ( 6.981 0.000 6.043) 9.233 5.576 ( -15.455 0.000 7.605) 17.225 5.825 ( -4.586 0.000 17.066) 17.672 6.124 ( -2.423 0.000 0.499) 2.474 6.282 ( 17.142 0.000 -22.039) 27.921 6.317 ( -22.132 0.000 -19.056) 29.206 6.731 ( 0.139 0.000 -5.382) 5.383 6.861 ( 24.249 0.000 5.628) 24.894 7.012 ( -3.182 0.000 -13.986) 14.343 7.099 ( 0.700 0.000 12.442) 12.462 7.303 ( 6.987 0.000 6.289) 9.400 7.502 ( -6.678 0.000 6.246) 9.144 7.844 ( -18.205 0.000 16.475) 24.553 7.909 ( -0.876 0.000 8.715) 8.759 8.293 ( -4.809 0.000 -2.090) 5.243 8.511 ( 15.441 0.000 -6.055) 16.586 8.536 ( -10.171 0.000 -1.749) 10.320 9.022 ( 22.423 0.000 -4.735) 22.917 9.368 ( 3.513 0.000 -13.163) 13.623 9.411 ( -9.146 0.000 -7.431) 11.784 9.830 ( -6.937 0.000 -4.647) 8.349 9.857 ( -2.160 0.000 10.468) 10.688 10.074 ( -10.423 0.000 -0.912) 10.462 10.107 ( 11.083 0.000 7.249) 13.243 10.152 ( 0.766 0.000 3.656) 3.736 11.115 ( -10.706 0.000 4.087) 11.459 11.267 ( -5.742 0.000 2.521) 6.271 11.593 ( 1.657 0.000 -5.739) 5.974 11.684 ( 5.266 0.000 -2.266) 5.733 12.184 ( 4.910 0.000 -8.054) 9.433 12.864 ( 14.397 0.000 -11.652) 18.522 12.977 ( -3.413 0.000 -2.812) 4.422 13.112 ( 0.156 0.000 5.808) 5.810 13.153 ( 19.911 0.000 -5.294) 20.603 13.327 ( -2.099 0.000 -8.279) 8.541 13.410 ( -1.170 0.000 -0.889) 1.469 13.950 ( -5.215 0.000 0.445) 5.234 14.033 ( -8.417 0.000 3.657) 9.177 14.091 ( -0.481 0.000 -7.474) 7.489 14.422 ( 1.357 0.000 12.767) 12.839 14.733 ( -6.389 0.000 9.408) 11.373 14.876 ( -1.420 0.000 -10.282) 10.380 15.457 ( -22.968 0.000 17.551) 28.907 15.488 ( -8.702 0.000 -26.643) 28.028 16.102 ( -3.927 0.000 -3.617) 5.339 16.954 ( 8.996 0.000 -8.804) 12.587 17.073 ( 14.143 0.000 -16.445) 21.690 17.578 ( 2.786 0.000 -33.008) 33.125 17.838 ( 0.268 0.000 3.174) 3.185 19.016 ( 6.020 0.000 10.543) 12.141 19.365 ( 5.404 0.000 35.809) 36.215 21.697 ( -44.335 0.000 42.190) 61.201 21.779 ( 5.593 0.000 0.200) 5.596 22.188 ( -14.740 0.000 5.876) 15.868 22.525 ( 2.588 0.000 -8.268) 8.664 23.037 ( -3.281 0.000 -3.252) 4.619 23.498 ( -0.695 0.000 -13.556) 13.573 ======================= Grid point 47 (18/75) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 32.964 0.000 4.851) 33.319 1.715 ( 30.041 0.000 19.178) 35.641 2.683 ( 28.684 0.000 34.614) 44.954 3.186 ( 7.542 0.000 -8.229) 11.162 3.212 ( -7.635 0.000 -8.871) 11.705 3.733 ( -3.703 0.000 2.701) 4.584 3.828 ( 6.620 0.000 3.150) 7.331 4.026 ( 4.247 0.000 -7.827) 8.905 4.083 ( -0.661 0.000 -1.778) 1.897 4.255 ( 9.610 0.000 11.029) 14.628 4.345 ( 3.945 0.000 6.329) 7.458 4.571 ( 13.083 0.000 15.506) 20.287 4.681 ( -6.183 0.000 14.044) 15.345 4.906 ( -14.483 0.000 0.842) 14.507 5.117 ( -2.109 0.000 3.972) 4.497 5.185 ( -19.178 0.000 8.583) 21.011 5.276 ( 8.843 0.000 8.271) 12.108 5.795 ( 1.694 0.000 14.147) 14.248 5.826 ( -20.232 0.000 -11.682) 23.363 6.066 ( -6.384 0.000 -2.901) 7.012 6.587 ( 8.804 0.000 -13.844) 16.406 6.722 ( -7.290 0.000 -6.586) 9.824 6.902 ( -0.004 0.000 -17.444) 17.444 7.196 ( 13.521 0.000 7.672) 15.546 7.345 ( -0.666 0.000 9.160) 9.184 7.395 ( 23.971 0.000 4.869) 24.460 7.576 ( -9.265 0.000 12.884) 15.870 7.578 ( 12.426 0.000 13.021) 17.998 7.958 ( 1.752 0.000 4.419) 4.753 8.192 ( -3.729 0.000 -4.699) 5.999 8.298 ( -12.863 0.000 -2.901) 13.186 8.780 ( 6.694 0.000 -10.340) 12.318 9.148 ( -19.667 0.000 -2.063) 19.775 9.158 ( -3.832 0.000 -7.983) 8.855 9.495 ( 10.482 0.000 3.335) 11.000 9.521 ( -18.878 0.000 -6.314) 19.906 9.852 ( 6.435 0.000 0.823) 6.488 9.993 ( -5.710 0.000 -8.022) 9.847 10.102 ( -7.075 0.000 10.364) 12.549 10.339 ( 10.737 0.000 5.791) 12.199 10.983 ( -1.863 0.000 3.325) 3.811 11.208 ( -1.063 0.000 2.208) 2.450 11.667 ( 6.016 0.000 -3.374) 6.897 11.827 ( 8.488 0.000 -1.307) 8.588 12.248 ( 4.106 0.000 -2.637) 4.880 12.899 ( -4.058 0.000 -3.654) 5.460 13.010 ( 2.030 0.000 -1.568) 2.565 13.141 ( 3.570 0.000 4.476) 5.726 13.228 ( -7.979 0.000 -9.110) 12.110 13.386 ( -0.659 0.000 0.081) 0.664 13.525 ( 14.783 0.000 -9.321) 17.476 13.823 ( -11.386 0.000 1.238) 11.453 13.843 ( -4.628 0.000 3.415) 5.752 14.068 ( -1.725 0.000 -5.774) 6.026 14.449 ( -4.584 0.000 6.096) 7.627 14.548 ( -5.549 0.000 10.623) 11.985 14.815 ( -6.824 0.000 -4.982) 8.449 15.144 ( -6.802 0.000 5.083) 8.491 15.317 ( -7.832 0.000 -10.363) 12.990 15.983 ( -7.868 0.000 -3.249) 8.513 17.155 ( 10.108 0.000 -20.686) 23.023 17.279 ( 7.516 0.000 -15.106) 16.873 17.624 ( 1.430 0.000 -29.275) 29.310 17.823 ( -2.050 0.000 -3.960) 4.460 19.217 ( 14.184 0.000 15.247) 20.824 19.520 ( 9.754 0.000 32.730) 34.152 21.071 ( -22.631 0.000 31.450) 38.746 21.778 ( -24.436 0.000 7.445) 25.545 21.934 ( 8.724 0.000 0.599) 8.744 22.600 ( 4.763 0.000 -8.308) 9.577 22.936 ( -6.756 0.000 -2.774) 7.303 23.393 ( -8.116 0.000 -10.077) 12.939 ======================= Grid point 48 (19/75) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 27.555 0.000 2.289) 27.650 2.307 ( 28.006 0.000 10.926) 30.062 3.020 ( 6.750 0.000 26.350) 27.200 3.145 ( 2.356 0.000 3.003) 3.817 3.236 ( -1.652 0.000 -8.716) 8.871 3.600 ( -9.982 0.000 0.705) 10.007 3.716 ( -11.982 0.000 8.961) 14.963 3.978 ( -8.438 0.000 -8.025) 11.645 4.286 ( 15.468 0.000 -0.986) 15.500 4.384 ( 6.317 0.000 6.150) 8.816 4.419 ( -25.039 0.000 8.733) 26.518 4.506 ( -16.428 0.000 11.267) 19.920 4.562 ( 12.663 0.000 5.665) 13.873 5.000 ( 4.525 0.000 7.363) 8.642 5.064 ( 6.219 0.000 6.909) 9.295 5.150 ( 21.819 0.000 -0.306) 21.822 5.501 ( 15.158 0.000 13.170) 20.080 5.555 ( -6.029 0.000 -11.103) 12.634 5.879 ( 7.973 0.000 11.639) 14.108 5.935 ( -6.106 0.000 -0.232) 6.110 6.438 ( -16.909 0.000 -8.781) 19.053 6.620 ( -1.981 0.000 -2.364) 3.084 7.045 ( 10.024 0.000 -16.503) 19.309 7.263 ( -16.228 0.000 10.270) 19.205 7.356 ( 1.123 0.000 3.119) 3.315 7.631 ( 24.698 0.000 -4.384) 25.084 7.829 ( 9.722 0.000 8.122) 12.668 7.885 ( 4.316 0.000 -2.633) 5.056 7.914 ( -4.816 0.000 3.116) 5.736 8.034 ( -0.799 0.000 1.161) 1.410 8.176 ( 2.370 0.000 -0.706) 2.473 8.712 ( -8.909 0.000 -0.543) 8.925 8.781 ( -12.535 0.000 2.842) 12.853 9.157 ( -16.304 0.000 -7.428) 17.916 9.218 ( 6.362 0.000 -8.106) 10.304 9.503 ( -4.721 0.000 2.316) 5.258 9.717 ( -20.241 0.000 -6.817) 21.359 9.869 ( -15.194 0.000 16.169) 22.188 10.151 ( 17.509 0.000 -6.293) 18.605 10.510 ( 5.936 0.000 2.484) 6.435 11.037 ( 5.435 0.000 4.826) 7.268 11.201 ( -0.079 0.000 3.998) 3.999 11.831 ( 9.628 0.000 -1.128) 9.694 11.994 ( 7.214 0.000 -0.836) 7.262 12.388 ( 10.050 0.000 0.832) 10.084 12.826 ( -2.757 0.000 -4.927) 5.646 12.990 ( -3.254 0.000 1.033) 3.414 13.039 ( -9.586 0.000 -5.837) 11.223 13.224 ( 3.681 0.000 2.585) 4.498 13.390 ( 1.208 0.000 -0.109) 1.213 13.559 ( -10.706 0.000 4.964) 11.800 13.759 ( -4.758 0.000 4.119) 6.294 13.817 ( 11.558 0.000 -10.588) 15.675 14.028 ( -2.103 0.000 -3.504) 4.087 14.183 ( -13.583 0.000 2.804) 13.869 14.590 ( -13.569 0.000 -1.849) 13.694 14.624 ( 6.984 0.000 10.433) 12.555 15.160 ( -8.220 0.000 -0.615) 8.243 15.165 ( 6.372 0.000 -3.641) 7.339 15.794 ( -10.627 0.000 -3.411) 11.161 17.346 ( 8.809 0.000 -24.431) 25.970 17.404 ( 5.344 0.000 -14.990) 15.914 17.628 ( -1.127 0.000 -24.893) 24.918 17.755 ( -4.556 0.000 -11.744) 12.597 19.579 ( 21.440 0.000 16.889) 27.293 19.748 ( 12.706 0.000 28.507) 31.210 20.676 ( -17.888 0.000 24.074) 29.992 21.225 ( -29.368 0.000 10.154) 31.073 22.133 ( 10.597 0.000 0.203) 10.599 22.713 ( 6.363 0.000 -8.257) 10.424 22.772 ( -9.312 0.000 -2.052) 9.536 23.209 ( -9.590 0.000 -8.729) 12.967 ======================= Grid point 49 (20/75) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 20.321 0.000 3.027) 20.545 2.823 ( 23.680 0.000 4.559) 24.115 2.949 ( -12.602 0.000 9.584) 15.832 3.281 ( -20.413 0.000 -0.950) 20.435 3.284 ( 7.780 0.000 5.460) 9.505 3.346 ( 16.055 0.000 11.114) 19.527 3.482 ( -11.050 0.000 9.671) 14.684 3.728 ( -17.768 0.000 10.295) 20.535 4.065 ( -4.588 0.000 -1.068) 4.711 4.182 ( -13.507 0.000 6.911) 15.172 4.482 ( 3.695 0.000 7.610) 8.460 4.490 ( 3.347 0.000 10.013) 10.558 4.816 ( 10.865 0.000 -5.194) 12.042 4.960 ( -3.901 0.000 -4.887) 6.253 5.282 ( 12.442 0.000 4.507) 13.233 5.480 ( -5.693 0.000 -3.370) 6.616 5.523 ( 12.457 0.000 6.561) 14.079 5.684 ( -2.081 0.000 12.041) 12.219 5.888 ( 4.112 0.000 -4.095) 5.803 6.103 ( -15.265 0.000 -8.075) 17.269 6.355 ( 35.618 0.000 4.894) 35.953 6.622 ( 3.081 0.000 -0.051) 3.082 6.953 ( -10.858 0.000 10.643) 15.205 7.239 ( 8.417 0.000 -13.873) 16.227 7.298 ( -36.222 0.000 2.266) 36.293 7.353 ( -2.467 0.000 -6.003) 6.490 7.844 ( -0.691 0.000 -0.210) 0.723 7.884 ( -2.686 0.000 -3.939) 4.768 8.192 ( 22.251 0.000 -8.649) 23.873 8.317 ( 10.445 0.000 12.436) 16.240 8.395 ( 16.165 0.000 -2.534) 16.363 8.525 ( -9.674 0.000 10.100) 13.986 8.608 ( -5.344 0.000 -12.207) 13.326 8.896 ( -14.115 0.000 -4.853) 14.926 9.325 ( 4.203 0.000 -7.486) 8.585 9.361 ( -6.314 0.000 10.042) 11.862 9.406 ( -4.337 0.000 -3.815) 5.776 9.535 ( -16.448 0.000 19.194) 25.277 10.442 ( 10.572 0.000 -4.944) 11.671 10.561 ( -1.343 0.000 -1.555) 2.055 11.138 ( 3.936 0.000 5.241) 6.555 11.190 ( -1.345 0.000 5.458) 5.621 12.011 ( 7.086 0.000 -0.854) 7.137 12.080 ( 0.594 0.000 -1.065) 1.219 12.633 ( 13.248 0.000 2.932) 13.569 12.806 ( 1.159 0.000 -4.796) 4.934 12.870 ( -9.185 0.000 2.617) 9.551 12.878 ( -5.968 0.000 -4.029) 7.201 13.285 ( 2.905 0.000 1.726) 3.380 13.374 ( -6.747 0.000 2.206) 7.099 13.451 ( 5.410 0.000 1.597) 5.641 13.610 ( -9.413 0.000 3.890) 10.185 13.993 ( -0.826 0.000 -0.739) 1.108 14.015 ( -3.442 0.000 0.412) 3.467 14.058 ( 12.321 0.000 -6.775) 14.061 14.316 ( -13.337 0.000 -4.111) 13.957 14.788 ( 9.158 0.000 8.158) 12.264 14.980 ( -9.553 0.000 4.793) 10.688 15.342 ( 10.484 0.000 -4.380) 11.362 15.567 ( -11.606 0.000 -3.912) 12.247 17.502 ( 4.448 0.000 -17.120) 17.688 17.509 ( 7.461 0.000 -22.580) 23.781 17.581 ( -3.301 0.000 -20.630) 20.893 17.646 ( -6.177 0.000 -18.006) 19.036 20.024 ( 14.660 0.000 24.744) 28.761 20.064 ( 26.464 0.000 15.424) 30.631 20.334 ( -16.215 0.000 22.751) 27.938 20.629 ( -29.392 0.000 12.860) 32.082 22.351 ( 10.974 0.000 -0.364) 10.980 22.570 ( -10.624 0.000 -1.184) 10.689 22.854 ( 7.677 0.000 -8.187) 11.223 23.021 ( -8.922 0.000 -8.256) 12.156 ======================= Grid point 54 (21/75) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 20.724 22.273) 30.423 1.018 ( 0.000 27.998 21.675) 35.407 2.112 ( 0.000 50.101 48.807) 69.944 2.694 ( 0.000 -15.250 -0.257) 15.252 2.991 ( 0.000 -32.472 -14.724) 35.655 3.673 ( 0.000 -0.440 0.515) 0.677 3.675 ( 0.000 -1.950 -5.619) 5.947 3.971 ( 0.000 8.660 2.615) 9.046 4.052 ( 0.000 18.627 -6.673) 19.786 4.199 ( 0.000 5.258 19.186) 19.893 4.648 ( 0.000 -3.129 -2.232) 3.843 4.683 ( 0.000 -12.712 5.804) 13.975 4.831 ( 0.000 -11.076 12.094) 16.399 4.918 ( 0.000 4.755 13.258) 14.085 5.084 ( 0.000 8.823 14.997) 17.400 5.119 ( 0.000 -6.605 1.955) 6.889 5.683 ( 0.000 -23.768 0.932) 23.787 5.744 ( 0.000 -22.880 0.287) 22.882 5.961 ( 0.000 5.970 20.873) 21.710 6.028 ( 0.000 -0.595 -4.772) 4.809 6.242 ( 0.000 9.678 0.788) 9.710 6.848 ( 0.000 -16.345 13.524) 21.214 6.891 ( 0.000 2.162 -9.276) 9.525 7.114 ( 0.000 20.677 -20.586) 29.177 7.278 ( 0.000 13.523 -6.243) 14.895 7.300 ( 0.000 14.295 -11.457) 18.320 7.785 ( 0.000 -4.565 14.832) 15.518 8.040 ( 0.000 -9.114 -8.389) 12.387 8.079 ( 0.000 20.692 0.984) 20.716 8.137 ( 0.000 -7.678 -5.303) 9.332 8.490 ( 0.000 -16.683 -2.277) 16.837 8.521 ( 0.000 5.076 11.295) 12.383 8.815 ( 0.000 -11.170 15.333) 18.970 8.879 ( 0.000 12.161 -2.477) 12.410 9.536 ( 0.000 -4.123 -14.105) 14.695 9.742 ( 0.000 -4.975 5.620) 7.506 9.794 ( 0.000 -13.145 -3.436) 13.586 9.859 ( 0.000 -0.706 12.799) 12.818 10.124 ( 0.000 -1.096 -0.453) 1.186 10.170 ( 0.000 -6.174 5.706) 8.407 11.274 ( 0.000 2.703 1.328) 3.011 11.422 ( 0.000 7.041 8.491) 11.030 11.604 ( 0.000 -2.550 -3.135) 4.041 11.788 ( 0.000 -0.019 4.727) 4.727 12.073 ( 0.000 13.161 -22.231) 25.834 12.513 ( 0.000 -3.808 -5.360) 6.575 12.803 ( 0.000 -6.778 2.848) 7.352 12.922 ( 0.000 -6.867 -4.317) 8.111 13.181 ( 0.000 4.902 9.329) 10.539 13.375 ( 0.000 1.484 -3.790) 4.070 13.637 ( 0.000 11.449 -1.968) 11.617 14.011 ( 0.000 0.275 0.794) 0.840 14.046 ( 0.000 -3.416 -1.090) 3.586 14.116 ( 0.000 -1.212 -1.935) 2.283 14.179 ( 0.000 -10.341 14.859) 18.103 14.552 ( 0.000 -18.178 -14.039) 22.968 15.032 ( 0.000 14.179 7.220) 15.912 15.832 ( 0.000 10.802 -13.303) 17.136 16.018 ( 0.000 19.997 -15.502) 25.302 16.094 ( 0.000 -5.400 -5.977) 8.056 16.503 ( 0.000 -20.590 0.944) 20.612 17.286 ( 0.000 16.000 -15.402) 22.209 17.471 ( 0.000 -1.426 -36.519) 36.547 17.851 ( 0.000 1.671 3.658) 4.021 18.927 ( 0.000 -2.797 11.294) 11.635 19.183 ( 0.000 -11.155 37.198) 38.835 21.832 ( 0.000 10.336 -1.128) 10.398 22.340 ( 0.000 -0.380 5.022) 5.036 22.447 ( 0.000 -5.373 13.370) 14.409 22.456 ( 0.000 -3.864 -7.042) 8.033 23.345 ( 0.000 9.757 -15.913) 18.666 23.380 ( 0.000 1.187 -9.303) 9.378 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.11 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 19.422 9.800 28.548) 35.892 1.204 ( 22.339 26.375 9.199) 35.768 2.445 ( 25.023 34.174 33.753) 54.160 2.739 ( 6.016 -14.625 0.109) 15.814 3.125 ( 12.067 -27.300 -9.865) 31.436 3.578 ( -3.642 4.578 -6.408) 8.677 3.782 ( 6.324 -1.785 -0.969) 6.642 4.004 ( 3.045 6.837 3.062) 8.087 4.119 ( 5.246 13.624 -0.405) 14.605 4.209 ( 0.675 4.839 18.540) 19.173 4.458 ( -10.616 -1.554 -0.923) 10.769 4.565 ( -8.455 -5.786 9.749) 14.143 4.830 ( -3.432 0.720 10.653) 11.216 4.926 ( 0.764 -8.759 5.874) 10.574 5.112 ( 2.488 3.817 10.201) 11.172 5.195 ( 2.772 2.170 4.882) 6.019 5.632 ( -10.022 -0.997 0.151) 10.072 5.774 ( 0.492 -16.132 10.568) 19.292 5.975 ( 6.515 -14.608 6.445) 17.245 6.072 ( -0.567 -10.622 -4.519) 11.557 6.236 ( 0.206 6.468 -0.893) 6.533 6.528 ( -15.678 1.449 -7.629) 17.496 6.796 ( -4.676 -17.549 11.190) 21.332 7.205 ( 2.648 16.142 -7.809) 18.126 7.310 ( -2.298 12.042 -10.148) 15.914 7.411 ( 8.594 7.751 -2.466) 11.832 7.740 ( -7.247 -1.485 9.895) 12.355 7.917 ( 1.717 15.484 -2.758) 15.821 7.973 ( -4.278 12.440 9.593) 16.281 8.213 ( -7.545 -1.775 5.930) 9.759 8.427 ( 17.255 -3.553 -5.490) 18.453 8.689 ( -4.152 1.831 -2.645) 5.252 8.915 ( -4.334 -24.309 4.763) 25.148 8.936 ( 15.961 -2.872 -9.343) 18.716 9.540 ( -1.840 -6.293 -10.772) 12.610 9.666 ( -7.920 0.239 3.304) 8.585 9.778 ( -0.065 -8.459 -5.458) 10.067 10.064 ( 1.436 -1.785 3.693) 4.346 10.145 ( -0.704 -0.905 2.369) 2.632 10.165 ( 15.050 -0.112 9.539) 17.819 11.225 ( -12.705 10.502 6.174) 17.602 11.274 ( -0.323 3.681 1.223) 3.892 11.635 ( 0.181 -1.725 -3.356) 3.778 11.681 ( -0.696 1.568 -1.393) 2.210 12.230 ( 4.971 4.587 -10.010) 12.081 12.758 ( 19.213 -12.430 -11.093) 25.430 12.838 ( 2.125 -7.899 0.980) 8.239 12.909 ( -0.383 -7.361 -3.086) 7.990 13.167 ( -1.433 4.338 8.351) 9.519 13.371 ( -0.510 2.647 -3.882) 4.726 13.661 ( 2.124 11.019 -1.140) 11.280 13.953 ( -4.852 0.115 1.727) 5.152 14.025 ( -4.132 -0.836 2.560) 4.932 14.074 ( -1.734 -1.614 -4.001) 4.650 14.186 ( 0.965 -10.495 11.845) 15.855 14.529 ( -2.533 -16.294 -11.130) 19.895 15.009 ( -2.246 12.494 5.755) 13.938 15.623 ( -17.130 14.145 -2.737) 22.384 15.780 ( -15.623 13.389 -11.994) 23.816 16.073 ( -3.999 -2.138 -4.318) 6.262 16.694 ( 14.104 -13.294 -11.998) 22.795 17.342 ( 3.928 9.247 -15.738) 18.671 17.500 ( 2.434 -2.662 -34.614) 34.802 17.851 ( -0.454 0.918 0.179) 1.040 18.991 ( 6.820 -1.994 14.524) 16.169 19.260 ( 7.107 -9.261 35.249) 37.132 21.845 ( -9.470 10.193 6.164) 15.218 21.983 ( -22.469 14.036 16.943) 31.447 22.182 ( -15.249 -0.637 6.507) 16.592 22.483 ( 2.661 -4.222 -7.451) 8.968 23.139 ( -7.449 8.200 -6.024) 12.611 23.476 ( -1.770 -2.206 -11.863) 12.195 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.22 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 27.389 1.957 20.677) 34.374 1.763 ( 29.563 16.711 5.172) 34.351 2.684 ( 2.914 -20.098 1.417) 20.358 3.093 ( 20.034 23.200 20.574) 36.917 3.384 ( 11.356 -22.058 -3.240) 25.020 3.530 ( -2.547 11.100 -9.540) 14.856 3.895 ( 2.955 -0.186 -4.554) 5.432 4.039 ( -3.032 3.152 2.251) 4.919 4.171 ( 0.119 4.689 4.956) 6.824 4.251 ( 0.881 -1.284 7.720) 7.876 4.344 ( 5.451 0.941 10.731) 12.073 4.555 ( 6.803 0.270 6.171) 9.188 4.774 ( -4.845 1.763 1.302) 5.318 4.878 ( 0.586 4.020 16.330) 16.828 5.111 ( -6.424 -3.034 12.017) 13.959 5.170 ( -4.477 2.945 5.017) 7.340 5.362 ( -8.883 3.749 -0.514) 9.655 5.724 ( -5.547 -4.744 2.233) 7.633 5.877 ( -8.308 2.951 -1.160) 8.893 6.129 ( -2.168 -11.720 -2.976) 12.285 6.244 ( 5.092 0.394 0.142) 5.109 6.532 ( 8.405 -20.529 2.456) 22.318 6.812 ( 11.726 -21.852 4.640) 25.230 7.208 ( -5.640 14.652 -5.242) 16.552 7.374 ( 10.674 1.105 1.591) 10.849 7.423 ( -6.300 3.796 0.824) 7.401 7.591 ( -4.323 8.370 3.981) 10.227 8.028 ( 5.082 11.810 7.117) 14.696 8.060 ( 2.530 5.847 2.633) 6.893 8.091 ( 2.198 12.899 -1.130) 13.133 8.452 ( -12.191 7.057 -4.173) 14.691 8.696 ( -4.995 -12.301 -6.443) 14.757 8.855 ( 9.457 -18.170 2.402) 20.624 9.160 ( -3.823 0.124 -6.451) 7.500 9.420 ( -6.268 -5.902 -9.227) 12.620 9.464 ( -10.624 -4.459 -4.561) 12.391 9.773 ( 5.931 -6.985 -0.539) 9.179 9.988 ( -8.425 -6.342 3.000) 10.964 10.187 ( 1.127 11.542 0.238) 11.599 10.448 ( 9.607 5.783 8.042) 13.798 11.052 ( -3.127 7.246 4.733) 9.202 11.273 ( 0.215 6.343 1.580) 6.540 11.616 ( 1.650 -4.863 -1.323) 5.303 11.780 ( 6.854 -4.418 -1.091) 8.227 12.323 ( 6.079 6.872 -5.062) 10.479 12.823 ( -2.595 -5.863 -3.768) 7.437 12.928 ( 1.945 -7.962 -2.833) 8.672 13.047 ( 5.420 -15.320 -6.641) 17.555 13.118 ( -3.577 2.332 5.889) 7.274 13.381 ( 3.350 4.021 -2.436) 5.773 13.697 ( 0.071 5.874 2.750) 6.486 13.853 ( -3.944 1.099 1.948) 4.534 13.929 ( -2.603 8.338 -1.029) 8.795 14.052 ( -1.210 -1.492 -4.202) 4.620 14.218 ( 1.540 -12.243 8.518) 14.994 14.427 ( -8.052 -9.939 -1.356) 12.863 14.959 ( -2.000 7.713 -0.032) 7.968 15.275 ( -15.560 16.045 1.435) 22.397 15.500 ( -11.636 8.845 -6.474) 15.985 15.946 ( -8.284 -3.707 -3.250) 9.640 16.977 ( 13.368 -8.895 -20.981) 26.420 17.409 ( 2.688 3.438 -15.677) 16.273 17.548 ( 1.838 -4.251 -29.810) 30.167 17.817 ( -3.074 -1.014 -7.316) 8.000 19.212 ( 15.041 -0.171 18.317) 23.702 19.449 ( 11.410 -6.164 31.715) 34.264 21.271 ( -27.415 15.554 24.455) 39.894 21.761 ( -25.379 -1.791 8.635) 26.868 22.038 ( 8.049 9.343 -0.327) 12.336 22.561 ( 4.956 -3.932 -7.727) 9.986 22.998 ( -7.461 5.799 -4.055) 10.283 23.364 ( -8.128 -2.880 -9.464) 12.804 ======================= Grid point 57 (24/75) ======================= q-point: ( 0.33 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 26.507 -2.416 13.577) 29.880 2.324 ( 25.312 11.003 4.485) 27.962 2.770 ( 7.580 -18.022 7.895) 21.085 3.307 ( 1.649 17.235 11.742) 20.920 3.442 ( -4.439 3.157 -3.212) 6.324 3.510 ( -0.978 -1.338 -0.092) 1.660 3.777 ( -11.951 3.115 3.524) 12.843 3.908 ( -8.708 -5.149 -6.853) 12.219 4.238 ( 0.071 -7.394 4.337) 8.572 4.338 ( 6.488 -1.723 8.538) 10.861 4.375 ( -13.161 -3.153 4.175) 14.163 4.439 ( -5.551 -1.625 9.294) 10.947 4.702 ( 1.322 9.229 6.360) 11.286 4.945 ( 1.100 -3.941 6.388) 7.586 5.073 ( -3.427 -2.045 3.836) 5.535 5.208 ( 8.928 2.082 0.409) 9.176 5.462 ( 25.015 3.268 13.315) 28.525 5.676 ( 4.529 6.850 -5.577) 9.927 5.862 ( 4.014 0.885 3.086) 5.141 6.043 ( -2.815 5.204 0.889) 5.983 6.235 ( -4.475 -3.005 6.155) 8.182 6.773 ( 11.452 -6.791 -6.117) 14.652 7.053 ( -5.556 5.985 -6.018) 10.144 7.170 ( 1.543 -16.569 -0.372) 16.645 7.243 ( 7.627 -12.027 4.941) 15.074 7.472 ( -3.281 9.016 -1.076) 9.655 7.690 ( 9.903 -1.951 3.567) 10.705 7.882 ( -12.283 -2.184 -0.173) 12.477 8.116 ( -1.456 3.481 -7.179) 8.110 8.203 ( -7.817 5.130 1.529) 9.474 8.282 ( 9.603 15.364 3.686) 18.489 8.545 ( -7.522 -14.172 4.188) 16.582 8.897 ( -13.398 6.165 -1.970) 14.879 9.054 ( 6.992 -7.951 -1.934) 10.763 9.202 ( -12.897 1.139 -5.138) 13.930 9.371 ( -0.274 -2.691 -9.912) 10.274 9.751 ( -13.471 -6.534 6.928) 16.497 10.001 ( 0.172 3.519 -1.686) 3.906 10.115 ( 3.898 6.017 0.131) 7.171 10.550 ( 1.214 2.297 3.133) 4.070 11.095 ( 5.683 5.777 4.789) 9.413 11.282 ( 0.390 7.687 3.461) 8.439 11.717 ( 7.594 -9.759 0.608) 12.380 11.910 ( 5.260 -7.456 -0.567) 9.142 12.495 ( 10.405 7.982 -2.587) 13.367 12.772 ( -2.096 -4.615 -4.041) 6.482 12.918 ( -3.532 -7.415 -4.285) 9.264 12.971 ( -7.673 -4.848 -2.254) 9.352 13.117 ( 3.148 -2.749 8.762) 9.707 13.488 ( 5.015 4.780 -3.285) 7.667 13.633 ( -4.564 5.466 3.547) 7.956 13.815 ( -2.230 4.325 4.540) 6.655 13.958 ( 4.308 9.389 -7.792) 12.939 14.028 ( -0.412 1.012 -2.856) 3.058 14.132 ( -11.015 -4.477 0.255) 11.893 14.319 ( -0.236 -12.693 10.594) 16.534 14.906 ( -4.954 11.458 -3.358) 12.927 15.058 ( -5.152 3.775 2.217) 6.761 15.325 ( -4.857 4.731 -2.350) 7.176 15.754 ( -10.504 -4.354 -3.378) 11.862 17.223 ( 11.113 -6.586 -23.118) 26.483 17.456 ( 2.162 0.119 -16.652) 16.793 17.564 ( -0.222 -4.392 -24.438) 24.831 17.730 ( -5.456 -2.557 -13.920) 15.168 19.581 ( 21.342 0.350 18.435) 28.204 19.709 ( 14.358 -3.269 27.732) 31.400 20.785 ( -21.766 9.348 21.982) 32.317 21.201 ( -29.380 -2.431 11.265) 31.559 22.220 ( 9.770 7.856 -0.857) 12.566 22.676 ( 6.331 -3.436 -7.894) 10.687 22.831 ( -9.016 5.272 -2.966) 10.858 23.182 ( -9.538 -2.807 -8.349) 12.983 ======================= Grid point 58 (25/75) ======================= q-point: ( 0.44 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 20.404 -0.762 7.674) 21.813 2.751 ( 16.057 2.721 6.134) 17.403 2.982 ( 7.711 -7.803 13.729) 17.573 3.214 ( -3.186 7.237 -1.513) 8.050 3.240 ( -15.823 -2.032 1.042) 15.987 3.459 ( -11.419 1.701 7.459) 13.745 3.574 ( 2.680 9.474 7.530) 12.395 3.744 ( -9.016 0.494 6.921) 11.377 4.019 ( -3.915 -3.944 -1.379) 5.725 4.146 ( -13.067 -1.889 8.288) 15.589 4.426 ( 6.657 -8.110 4.381) 11.370 4.499 ( 0.729 -0.570 10.196) 10.238 4.794 ( 6.057 0.723 -0.116) 6.101 4.906 ( -4.920 -4.784 -4.019) 7.953 5.149 ( 7.778 -10.343 4.671) 13.758 5.253 ( -1.727 -9.904 3.281) 10.575 5.771 ( 5.357 8.589 7.753) 12.751 5.834 ( 2.928 16.142 1.742) 16.498 6.006 ( 2.533 9.677 -2.083) 10.218 6.078 ( -0.326 0.299 -2.385) 2.425 6.407 ( 31.571 3.279 7.834) 32.693 6.769 ( -6.425 11.631 -3.293) 13.689 6.934 ( -5.259 0.341 6.593) 8.441 7.196 ( 11.760 -6.587 -14.344) 19.683 7.268 ( -24.142 1.096 -5.873) 24.871 7.447 ( -15.521 0.066 -5.501) 16.467 7.638 ( 14.611 -14.606 2.700) 20.836 7.782 ( -1.830 -1.439 7.014) 7.390 8.096 ( 3.491 -7.013 -2.168) 8.128 8.289 ( 5.320 -8.702 2.106) 10.414 8.331 ( -8.187 -12.599 7.079) 16.610 8.427 ( 1.048 -0.069 0.455) 1.145 8.752 ( 1.938 10.045 -11.108) 15.102 8.950 ( -12.179 5.646 -7.874) 15.563 9.199 ( 7.436 -2.858 3.350) 8.642 9.360 ( -6.013 -3.276 -1.188) 6.950 9.561 ( 1.742 10.360 7.330) 12.810 9.761 ( -13.949 18.015 6.740) 23.760 10.361 ( 11.219 -7.719 -4.215) 14.255 10.517 ( -4.483 -4.402 -1.069) 6.373 11.209 ( 4.705 6.723 4.813) 9.513 11.273 ( -1.653 7.773 4.841) 9.305 11.876 ( 7.087 -11.206 0.661) 13.276 11.961 ( -0.776 -10.161 -0.175) 10.192 12.689 ( 7.845 1.821 -1.265) 8.152 12.757 ( 1.095 -4.102 -3.121) 5.270 12.811 ( -5.439 -4.708 -3.710) 8.094 12.834 ( -6.025 -4.295 0.466) 7.414 13.263 ( 11.494 4.260 7.880) 14.573 13.497 ( -7.462 11.613 2.072) 13.958 13.588 ( 1.775 7.905 -1.265) 8.200 13.680 ( -8.553 6.091 2.288) 10.746 13.975 ( -0.322 -1.979 -0.689) 2.120 13.995 ( -2.280 -1.274 -0.701) 2.704 14.131 ( 8.346 4.178 -4.272) 10.265 14.280 ( -5.174 -5.610 2.267) 7.961 14.849 ( 1.612 7.587 2.619) 8.186 14.951 ( -6.661 0.150 4.269) 7.913 15.353 ( 6.861 -0.678 -3.573) 7.765 15.538 ( -10.553 -3.599 -3.735) 11.759 17.425 ( 8.814 -4.898 -21.653) 23.886 17.497 ( 1.702 -2.518 -18.738) 18.983 17.545 ( -1.327 -3.266 -20.346) 20.649 17.603 ( -6.975 -3.689 -18.358) 19.982 20.020 ( 16.936 -0.147 23.376) 28.866 20.059 ( 25.523 -0.501 17.184) 30.773 20.378 ( -18.911 3.950 21.840) 29.159 20.611 ( -28.826 -1.803 13.981) 32.088 22.423 ( 10.292 6.569 -1.488) 12.300 22.629 ( -10.032 5.517 -2.461) 11.710 22.826 ( 7.664 -2.901 -7.541) 11.136 22.994 ( -8.962 -2.800 -7.858) 12.244 ======================= Grid point 63 (26/75) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.000 37.866 -8.404) 38.787 1.634 ( 0.000 31.432 9.852) 32.940 2.229 ( 0.000 -26.647 3.112) 26.828 2.292 ( 0.000 -36.831 -15.507) 39.962 3.211 ( 0.000 53.576 30.563) 61.681 3.658 ( 0.000 -1.015 -0.143) 1.025 3.662 ( 0.000 0.818 -0.637) 1.037 4.195 ( 0.000 13.344 4.749) 14.164 4.209 ( 0.000 -33.289 8.767) 34.424 4.367 ( 0.000 4.309 -5.072) 6.656 4.367 ( 0.000 10.796 14.035) 17.707 4.540 ( 0.000 -17.230 16.980) 24.191 4.569 ( 0.000 -4.757 -2.366) 5.312 4.700 ( 0.000 -20.994 11.923) 24.144 5.099 ( 0.000 12.792 3.460) 13.251 5.234 ( 0.000 5.676 10.336) 11.792 5.307 ( 0.000 -6.187 5.241) 8.108 5.425 ( 0.000 -16.059 -5.113) 16.853 6.151 ( 0.000 12.239 19.556) 23.070 6.179 ( 0.000 10.005 1.684) 10.145 6.371 ( 0.000 -0.617 1.989) 2.083 6.501 ( 0.000 -16.698 15.866) 23.033 6.939 ( 0.000 9.490 4.269) 10.406 7.233 ( 0.000 -13.505 3.868) 14.048 7.578 ( 0.000 11.916 -11.450) 16.525 7.611 ( 0.000 15.588 -9.935) 18.484 7.682 ( 0.000 7.122 -12.396) 14.296 7.892 ( 0.000 -3.938 -9.629) 10.403 7.967 ( 0.000 -8.587 -9.305) 12.662 8.092 ( 0.000 -21.555 -12.074) 24.706 8.562 ( 0.000 10.339 11.440) 15.419 8.678 ( 0.000 -4.663 16.591) 17.234 8.775 ( 0.000 28.314 0.672) 28.322 9.120 ( 0.000 11.741 -6.450) 13.396 9.346 ( 0.000 -14.241 -9.348) 17.035 9.379 ( 0.000 -24.274 -4.625) 24.711 9.777 ( 0.000 3.931 1.834) 4.337 9.836 ( 0.000 -1.794 8.539) 8.725 10.098 ( 0.000 -1.363 7.122) 7.251 10.099 ( 0.000 -1.060 2.774) 2.970 11.389 ( 0.000 7.180 -1.284) 7.294 11.523 ( 0.000 -5.582 -2.950) 6.313 11.613 ( 0.000 9.543 7.722) 12.276 11.754 ( 0.000 -4.094 6.870) 7.997 12.269 ( 0.000 7.905 -15.368) 17.282 12.410 ( 0.000 -6.197 -9.477) 11.323 12.734 ( 0.000 -0.365 -3.664) 3.682 12.788 ( 0.000 -5.507 -5.704) 7.929 13.286 ( 0.000 5.235 13.275) 14.270 13.371 ( 0.000 -2.491 8.813) 9.158 13.827 ( 0.000 8.756 -4.497) 9.843 13.971 ( 0.000 -4.588 -0.533) 4.619 14.033 ( 0.000 1.540 1.645) 2.253 14.075 ( 0.000 -2.701 -2.328) 3.566 14.091 ( 0.000 1.028 0.174) 1.043 14.223 ( 0.000 -12.525 -10.933) 16.626 15.404 ( 0.000 21.733 1.243) 21.768 15.849 ( 0.000 -20.055 -6.935) 21.220 15.987 ( 0.000 7.319 2.751) 7.819 16.158 ( 0.000 -11.136 6.277) 12.783 16.548 ( 0.000 28.121 -31.318) 42.091 17.065 ( 0.000 -22.019 -31.971) 38.820 17.735 ( 0.000 12.286 -17.029) 20.999 17.866 ( 0.000 -1.526 -4.710) 4.951 18.881 ( 0.000 -0.432 22.234) 22.238 18.960 ( 0.000 -8.686 34.606) 35.679 22.073 ( 0.000 12.217 -3.680) 12.759 22.281 ( 0.000 -7.360 -3.353) 8.088 22.386 ( 0.000 -1.133 5.492) 5.608 22.392 ( 0.000 -1.209 11.524) 11.587 23.410 ( 0.000 1.516 -9.115) 9.240 23.427 ( 0.000 0.447 -10.663) 10.672 ======================= Grid point 64 (27/75) ======================= q-point: ( 0.11 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 5.045 28.333 9.296) 30.243 1.829 ( 16.874 33.276 -0.643) 37.316 2.156 ( -1.306 -29.289 -0.112) 29.318 2.504 ( 15.062 -32.695 -6.997) 36.671 3.386 ( 14.048 39.900 19.610) 46.626 3.689 ( 4.848 4.722 -1.911) 7.032 3.732 ( 5.196 0.534 -0.980) 5.315 4.123 ( -4.026 -5.850 5.854) 9.204 4.244 ( -0.876 -0.576 12.446) 12.490 4.350 ( -1.426 -0.490 0.486) 1.585 4.414 ( -3.060 2.809 9.950) 10.782 4.466 ( 3.358 7.206 1.684) 8.127 4.698 ( 5.591 -11.245 11.323) 16.909 4.760 ( 10.039 -18.306 4.864) 21.437 5.123 ( 1.199 0.913 5.296) 5.507 5.230 ( 1.904 -2.648 8.087) 8.720 5.325 ( 1.328 0.232 6.277) 6.420 5.500 ( 3.921 -12.382 0.203) 12.989 6.007 ( -11.792 8.346 7.359) 16.213 6.089 ( -9.195 4.848 4.592) 11.364 6.281 ( -8.019 -1.569 2.769) 8.627 6.444 ( -4.966 -15.607 11.883) 20.235 6.729 ( -11.390 18.175 3.096) 21.671 7.132 ( -7.556 -18.903 5.977) 21.217 7.512 ( -0.540 11.754 -6.848) 13.614 7.659 ( 0.782 -0.228 -9.424) 9.460 7.776 ( 5.343 15.074 -6.467) 17.251 8.062 ( 8.599 -3.001 -0.955) 9.157 8.100 ( 11.305 1.333 -5.062) 12.458 8.215 ( 7.215 -1.972 -1.134) 7.565 8.481 ( -7.916 -4.832 6.430) 11.285 8.527 ( -5.134 -9.344 -0.115) 10.663 8.773 ( -0.310 23.630 -3.745) 23.927 9.090 ( -0.522 10.876 -7.649) 13.307 9.295 ( -5.162 -18.164 -8.860) 20.858 9.372 ( -0.469 -18.005 -4.005) 18.451 9.884 ( -1.698 9.081 0.319) 9.244 10.028 ( -2.562 -4.135 0.993) 4.965 10.105 ( 10.824 -0.753 7.623) 13.261 10.130 ( 16.681 -2.276 9.936) 19.549 11.397 ( -0.385 7.504 -1.529) 7.668 11.468 ( -9.167 10.327 5.024) 14.694 11.551 ( 0.530 -4.640 -1.808) 5.008 11.657 ( -6.624 -5.059 3.983) 9.238 12.360 ( 6.448 7.957 -10.724) 14.829 12.535 ( 11.069 -9.368 -7.971) 16.547 12.746 ( 0.713 -1.817 -4.366) 4.783 12.779 ( -0.576 -4.852 -4.874) 6.901 13.271 ( -1.573 5.783 12.633) 13.983 13.372 ( -0.140 -3.161 9.176) 9.706 13.828 ( -0.680 6.882 -1.116) 7.005 13.928 ( -4.094 -2.843 2.527) 5.589 14.019 ( -0.769 1.241 -0.462) 1.532 14.070 ( 0.012 -1.545 -4.210) 4.484 14.086 ( -0.181 1.185 -0.571) 1.328 14.226 ( 0.244 -11.954 -9.812) 15.468 15.348 ( -5.444 19.859 1.756) 20.666 15.733 ( -10.335 -15.654 -5.151) 19.452 15.865 ( -11.084 10.154 1.625) 15.119 16.035 ( -9.235 -5.776 1.403) 10.982 16.708 ( 12.131 16.383 -27.578) 34.295 17.116 ( 4.561 -19.957 -30.398) 36.649 17.697 ( -2.997 10.775 -16.370) 19.826 17.839 ( -2.774 -3.248 -7.743) 8.843 18.973 ( 9.148 1.360 24.286) 25.988 19.070 ( 9.791 -8.054 31.757) 34.194 22.051 ( -11.726 8.576 3.869) 15.034 22.155 ( -16.385 -2.508 7.430) 18.164 22.193 ( -7.859 8.306 6.476) 13.141 22.360 ( 1.998 -7.791 -4.049) 9.005 23.296 ( -7.318 6.822 -8.034) 12.831 23.409 ( -4.260 -4.468 -9.384) 11.232 ======================= Grid point 65 (28/75) ======================= q-point: ( 0.22 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 16.660 15.404 17.953) 28.934 2.172 ( 9.356 -11.577 3.635) 15.322 2.279 ( 19.966 15.609 1.655) 25.397 2.845 ( 17.854 -29.161 -3.905) 34.415 3.614 ( 6.093 19.342 6.806) 21.390 3.753 ( -2.769 9.215 -5.332) 11.001 3.850 ( 5.931 0.586 -7.044) 9.227 4.097 ( 2.277 -5.724 3.059) 6.877 4.170 ( -7.847 0.755 12.140) 14.475 4.234 ( -4.377 -1.361 7.842) 9.083 4.407 ( 0.197 4.445 9.793) 10.756 4.493 ( -3.925 -4.747 -0.616) 6.191 4.868 ( -0.859 6.805 -0.936) 6.922 4.958 ( 16.915 1.692 11.747) 20.663 5.107 ( 0.659 2.450 6.685) 7.151 5.280 ( -6.875 9.631 13.131) 17.676 5.323 ( -6.481 -8.500 0.778) 10.717 5.549 ( 12.471 -14.853 7.661) 20.853 5.810 ( -2.794 0.422 0.845) 2.949 5.966 ( 0.817 -6.924 2.326) 7.350 6.167 ( 0.106 -0.057 7.773) 7.774 6.411 ( 3.992 -17.556 7.083) 19.348 6.593 ( -2.956 20.565 2.884) 20.976 7.019 ( -4.286 -20.139 5.120) 21.218 7.567 ( 5.536 11.316 -2.560) 12.855 7.682 ( 0.450 -0.885 -7.890) 7.952 7.735 ( -8.312 19.766 -2.549) 21.594 8.097 ( -4.589 9.901 2.974) 11.311 8.201 ( -11.945 -19.967 7.016) 24.302 8.271 ( 4.270 -4.232 0.819) 6.067 8.393 ( 6.125 6.503 -1.899) 9.133 8.504 ( -5.661 -2.559 -5.787) 8.491 8.813 ( 5.563 12.396 -5.551) 14.678 9.149 ( -4.540 -16.884 -9.840) 20.063 9.208 ( 6.418 5.806 -8.208) 11.928 9.381 ( 0.577 -8.834 -4.745) 10.044 9.720 ( -6.459 4.365 1.462) 7.931 9.857 ( -11.313 -7.242 0.799) 13.457 10.376 ( 9.740 7.356 3.684) 12.750 10.480 ( 11.611 -2.468 6.637) 13.600 11.257 ( -6.022 11.580 3.385) 13.484 11.428 ( -0.280 3.740 0.351) 3.767 11.495 ( -1.968 -2.499 1.533) 3.531 11.651 ( 3.689 -8.458 0.822) 9.264 12.504 ( 7.728 10.772 -8.414) 15.701 12.724 ( -0.611 -6.409 -7.469) 9.861 12.763 ( 6.788 -7.025 -1.758) 9.925 12.794 ( 2.540 -6.335 -7.161) 9.893 13.220 ( -3.191 6.969 12.966) 15.062 13.364 ( 0.269 -5.782 11.159) 12.571 13.786 ( -2.648 4.144 3.050) 5.786 13.850 ( -2.287 -1.607 3.198) 4.247 14.030 ( 0.924 1.196 -2.508) 2.928 14.078 ( 0.299 -2.838 -2.994) 4.136 14.087 ( 0.875 5.241 -2.619) 5.924 14.224 ( -1.062 -8.649 -6.133) 10.655 15.204 ( -8.032 15.763 2.042) 17.809 15.494 ( -12.207 -9.829 -1.952) 15.793 15.599 ( -14.063 14.310 -0.559) 20.071 15.830 ( -10.943 -8.356 -1.495) 13.849 16.956 ( 11.940 8.098 -26.112) 29.833 17.223 ( 5.479 -15.186 -26.657) 31.164 17.635 ( -3.057 7.307 -16.873) 18.640 17.762 ( -4.649 -4.742 -12.293) 13.972 19.231 ( 15.968 2.547 24.191) 29.098 19.318 ( 14.490 -5.937 28.538) 32.552 21.548 ( -28.942 10.598 16.111) 34.778 21.698 ( -27.050 -4.863 11.452) 29.774 22.252 ( 6.560 10.808 -2.721) 12.933 22.443 ( 5.589 -7.813 -5.717) 11.179 23.140 ( -8.315 7.518 -6.332) 12.875 23.277 ( -8.273 -5.769 -8.090) 12.930 ======================= Grid point 66 (29/75) ======================= q-point: ( 0.33 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 21.931 5.295 17.868) 28.780 2.386 ( 13.886 -14.079 11.158) 22.706 2.721 ( 20.702 20.887 1.206) 29.433 3.163 ( 11.453 -20.407 -1.080) 23.426 3.630 ( -6.303 5.510 -7.443) 11.203 3.661 ( -2.861 8.064 1.989) 8.785 3.800 ( -8.898 5.376 0.182) 10.397 3.901 ( -16.401 3.645 5.507) 17.681 4.093 ( -4.061 -5.903 5.724) 9.171 4.154 ( -7.941 -11.888 -6.313) 15.628 4.417 ( -3.813 3.724 14.492) 15.442 4.453 ( 3.222 0.870 11.098) 11.589 4.853 ( 1.778 1.580 4.738) 5.302 4.891 ( -7.567 -0.228 3.612) 8.388 4.982 ( -10.110 -0.681 5.655) 11.604 5.122 ( -5.034 -8.222 2.297) 9.911 5.727 ( 30.244 12.305 7.415) 33.482 5.780 ( 12.618 9.455 3.498) 16.151 5.879 ( 7.355 0.754 0.465) 7.408 6.141 ( 11.061 7.328 1.162) 13.319 6.341 ( 6.727 -8.295 7.828) 13.241 6.469 ( 10.414 -5.759 9.188) 15.035 6.734 ( 16.512 -10.306 -3.289) 19.740 6.918 ( -5.575 -14.785 4.598) 16.457 7.492 ( -13.464 19.635 -3.229) 24.025 7.619 ( -8.298 3.240 -9.575) 13.078 7.720 ( 5.637 1.786 -2.236) 6.322 7.919 ( -8.126 0.289 1.960) 8.364 8.011 ( -8.566 -5.154 -0.497) 10.010 8.234 ( -9.173 -12.858 -1.144) 15.836 8.330 ( -9.163 5.337 2.051) 10.801 8.427 ( -2.447 -2.677 3.313) 4.912 8.924 ( 2.638 6.293 -6.317) 9.298 9.061 ( 0.022 -3.062 -5.102) 5.950 9.259 ( -6.982 5.795 1.673) 9.227 9.354 ( -0.616 -1.885 -5.069) 5.443 9.669 ( -0.920 2.098 -1.321) 2.644 9.836 ( 13.007 -11.265 -5.036) 17.929 10.381 ( -8.195 11.914 3.737) 14.935 10.541 ( -4.394 -3.981 3.380) 6.825 11.261 ( 5.396 10.346 3.690) 12.238 11.466 ( 4.003 1.462 1.956) 4.689 11.510 ( 2.554 -1.720 2.730) 4.115 11.720 ( 2.419 -11.042 1.219) 11.369 12.629 ( 3.663 4.661 -6.529) 8.819 12.690 ( -1.490 -2.789 -3.644) 4.825 12.801 ( -1.183 -2.822 -5.441) 6.242 12.840 ( -2.215 -5.917 -5.004) 8.060 13.217 ( 6.036 10.837 15.071) 19.519 13.451 ( 8.938 -9.220 8.341) 15.313 13.757 ( -0.145 6.421 1.132) 6.522 13.855 ( 2.350 -1.811 1.903) 3.525 14.018 ( -1.745 0.835 -2.597) 3.238 14.045 ( -4.239 -2.495 -1.101) 5.040 14.129 ( 0.347 3.171 -3.372) 4.641 14.159 ( -3.913 -2.728 2.734) 5.498 15.069 ( -4.548 10.496 0.316) 11.443 15.285 ( -7.381 -6.241 -1.635) 9.803 15.335 ( -11.701 13.987 -0.798) 18.254 15.605 ( -11.125 -10.640 -2.709) 15.630 17.178 ( 10.087 3.188 -24.251) 26.458 17.326 ( 4.801 -9.725 -22.845) 25.289 17.572 ( -3.371 3.462 -17.932) 18.572 17.656 ( -5.824 -4.436 -16.081) 17.669 19.598 ( 20.291 1.435 21.863) 29.863 19.642 ( 17.637 -2.968 25.235) 30.930 20.980 ( -26.980 8.918 17.953) 33.612 21.124 ( -29.041 -5.391 14.132) 32.744 22.405 ( 8.337 9.490 -3.363) 13.072 22.573 ( 7.224 -6.895 -6.094) 11.699 22.962 ( -9.285 7.174 -5.245) 12.852 23.096 ( -9.428 -5.699 -7.207) 13.165 ======================= Grid point 67 (30/75) ======================= q-point: ( 0.44 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 22.872 1.559 13.656) 26.684 2.732 ( 19.732 -7.435 11.742) 24.135 2.979 ( -2.304 8.487 7.050) 11.271 3.128 ( -16.196 -6.150 6.272) 18.424 3.445 ( -3.713 10.408 -4.383) 11.887 3.564 ( -6.543 7.998 -1.046) 10.386 3.661 ( -2.350 -5.172 -2.100) 6.056 3.716 ( -3.233 -1.608 2.883) 4.620 3.983 ( 2.311 3.712 2.155) 4.875 4.170 ( -3.567 -3.524 8.135) 9.556 4.187 ( -3.754 -3.620 7.441) 9.087 4.380 ( -10.693 -11.229 10.520) 18.738 4.855 ( 2.369 2.634 1.278) 3.767 4.893 ( -1.081 7.140 4.695) 8.613 4.966 ( 6.664 -7.553 4.361) 10.977 5.064 ( -3.006 -9.156 5.017) 10.864 5.947 ( 10.420 7.259 4.072) 13.336 6.032 ( 9.542 0.100 0.706) 9.569 6.167 ( -4.533 8.572 3.648) 10.360 6.198 ( -5.617 6.233 0.732) 8.423 6.565 ( 29.040 14.191 4.407) 32.621 6.831 ( 2.835 -2.266 0.013) 3.629 6.928 ( 17.281 -10.309 -0.942) 20.144 7.057 ( 6.741 -14.568 -6.514) 17.323 7.255 ( -6.019 11.460 -3.256) 13.347 7.391 ( -11.281 5.113 -7.683) 14.575 7.540 ( -12.295 -1.777 -0.873) 12.454 7.761 ( -17.138 -12.757 5.526) 22.067 8.006 ( 5.945 3.020 3.256) 7.421 8.052 ( -1.939 -2.690 -2.487) 4.144 8.199 ( -2.033 -3.168 4.048) 5.528 8.310 ( -8.434 -10.139 4.151) 13.826 8.971 ( 4.281 11.027 -7.265) 13.882 9.081 ( -3.881 4.986 -5.798) 8.575 9.156 ( 0.899 -2.310 -0.610) 2.553 9.242 ( -6.453 -7.447 -1.606) 9.984 9.837 ( 13.281 15.437 1.585) 20.425 10.077 ( 0.267 4.560 -0.143) 4.570 10.179 ( -0.851 -2.183 1.388) 2.723 10.378 ( -10.527 -9.626 0.791) 14.286 11.390 ( 5.989 10.868 3.494) 12.891 11.475 ( -2.272 11.784 3.427) 12.481 11.629 ( 6.746 -12.564 2.043) 14.406 11.725 ( -2.270 -12.602 1.680) 12.915 12.674 ( 2.071 -1.410 -3.480) 4.288 12.682 ( 1.129 -2.457 -1.776) 3.235 12.732 ( -3.992 -1.830 -2.753) 5.183 12.750 ( -4.971 -3.257 -1.802) 6.210 13.475 ( 17.070 13.524 9.387) 23.714 13.653 ( 8.717 -1.136 0.577) 8.809 13.750 ( -2.290 8.180 -0.731) 8.526 13.832 ( -14.569 5.526 2.398) 15.766 13.927 ( 3.666 1.318 1.488) 4.170 13.981 ( -1.931 0.182 -1.432) 2.411 14.084 ( -0.385 -7.628 2.769) 8.124 14.128 ( -3.000 -8.048 3.656) 9.335 15.032 ( 1.211 10.879 -0.685) 10.967 15.127 ( -7.863 14.597 -1.143) 16.620 15.257 ( 3.605 -9.178 -2.520) 10.178 15.396 ( -9.296 -10.768 -3.118) 14.563 17.363 ( 8.372 -0.181 -21.873) 23.421 17.417 ( 4.316 -4.632 -20.191) 21.160 17.497 ( -4.138 -0.468 -19.279) 19.723 17.528 ( -6.805 -3.145 -18.757) 20.200 20.025 ( 20.690 0.678 21.566) 29.893 20.043 ( 23.751 -1.008 19.558) 30.784 20.470 ( -23.746 4.748 19.526) 31.108 20.556 ( -27.106 -3.604 16.609) 31.993 22.581 ( 9.147 8.322 -3.904) 12.967 22.727 ( 7.000 -4.616 -6.516) 10.619 22.774 ( -8.222 5.893 -4.308) 10.995 22.907 ( -9.147 -5.773 -6.638) 12.691 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 0.000 37.032) 37.032 1.678 ( 0.000 0.000 39.583) 39.583 2.699 ( 0.000 0.000 61.172) 61.172 2.834 ( 0.000 0.000 2.319) 2.319 3.211 ( 0.000 0.000 -23.329) 23.329 3.321 ( 0.000 0.000 -17.370) 17.370 3.428 ( 0.000 0.000 -12.962) 12.962 3.699 ( 0.000 0.000 -2.581) 2.581 4.017 ( 0.000 0.000 4.101) 4.101 4.648 ( 0.000 0.000 26.253) 26.253 4.689 ( 0.000 0.000 6.478) 6.478 4.940 ( 0.000 0.000 -3.763) 3.763 5.093 ( 0.000 0.000 -0.711) 0.711 5.267 ( 0.000 0.000 17.934) 17.934 5.303 ( 0.000 0.000 22.618) 22.618 5.370 ( 0.000 0.000 23.016) 23.016 5.721 ( 0.000 0.000 -3.455) 3.455 5.746 ( 0.000 0.000 -12.113) 12.113 6.116 ( 0.000 0.000 0.715) 0.715 6.423 ( 0.000 0.000 -1.840) 1.840 6.443 ( 0.000 0.000 33.437) 33.437 6.514 ( 0.000 0.000 -10.558) 10.558 6.672 ( 0.000 0.000 7.234) 7.234 6.795 ( 0.000 0.000 -5.130) 5.130 7.152 ( 0.000 0.000 -10.210) 10.210 7.292 ( 0.000 0.000 5.994) 5.994 7.624 ( 0.000 0.000 -0.822) 0.822 7.957 ( 0.000 0.000 -10.287) 10.287 8.159 ( 0.000 0.000 -6.366) 6.366 8.269 ( 0.000 0.000 -1.993) 1.993 8.590 ( 0.000 0.000 16.486) 16.486 8.654 ( 0.000 0.000 -1.075) 1.075 8.838 ( 0.000 0.000 -14.092) 14.092 8.865 ( 0.000 0.000 11.083) 11.083 9.273 ( 0.000 0.000 -13.929) 13.929 9.830 ( 0.000 0.000 -5.232) 5.232 10.103 ( 0.000 0.000 -8.257) 8.257 10.118 ( 0.000 0.000 5.953) 5.953 10.136 ( 0.000 0.000 2.154) 2.154 10.160 ( 0.000 0.000 14.560) 14.560 11.249 ( 0.000 0.000 -5.645) 5.645 11.401 ( 0.000 0.000 -11.612) 11.612 11.577 ( 0.000 0.000 -1.635) 1.635 11.629 ( 0.000 0.000 5.810) 5.810 11.884 ( 0.000 0.000 6.981) 6.981 12.414 ( 0.000 0.000 -10.404) 10.404 12.957 ( 0.000 0.000 -3.026) 3.026 13.114 ( 0.000 0.000 -14.932) 14.932 13.166 ( 0.000 0.000 10.882) 10.882 13.281 ( 0.000 0.000 10.906) 10.906 13.443 ( 0.000 0.000 2.955) 2.955 13.865 ( 0.000 0.000 -15.723) 15.723 14.061 ( 0.000 0.000 5.354) 5.354 14.088 ( 0.000 0.000 -10.871) 10.871 14.711 ( 0.000 0.000 16.653) 16.653 14.740 ( 0.000 0.000 -31.472) 31.472 14.762 ( 0.000 0.000 2.682) 2.682 15.108 ( 0.000 0.000 6.090) 6.090 15.977 ( 0.000 0.000 -13.676) 13.676 16.018 ( 0.000 0.000 8.060) 8.060 16.546 ( 0.000 0.000 -22.851) 22.851 16.877 ( 0.000 0.000 1.629) 1.629 17.049 ( 0.000 0.000 -12.191) 12.191 17.716 ( 0.000 0.000 -16.523) 16.523 19.289 ( 0.000 0.000 24.641) 24.641 20.022 ( 0.000 0.000 35.881) 35.881 21.716 ( 0.000 0.000 -0.789) 0.789 22.230 ( 0.000 0.000 -19.268) 19.268 22.453 ( 0.000 0.000 5.692) 5.692 22.597 ( 0.000 0.000 -0.943) 0.943 22.971 ( 0.000 0.000 -6.580) 6.580 23.136 ( 0.000 0.000 -13.190) 13.190 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 8.173 0.000 33.081) 34.076 1.813 ( 12.775 0.000 34.162) 36.473 2.908 ( 6.960 0.000 -3.652) 7.860 2.982 ( 21.876 0.000 51.604) 56.049 3.108 ( -4.551 0.000 -14.279) 14.986 3.473 ( 14.690 0.000 -10.473) 18.041 3.607 ( 11.512 0.000 -14.855) 18.794 3.727 ( 2.145 0.000 -4.921) 5.368 4.037 ( 1.872 0.000 1.698) 2.528 4.533 ( -9.033 0.000 6.436) 11.092 4.631 ( -3.149 0.000 24.200) 24.404 4.932 ( -3.469 0.000 14.899) 15.297 5.030 ( -5.485 0.000 2.366) 5.973 5.191 ( -2.429 0.000 4.427) 5.050 5.310 ( -6.213 0.000 21.639) 22.513 5.349 ( 7.579 0.000 15.840) 17.560 5.559 ( -15.914 0.000 -11.582) 19.682 5.993 ( 16.761 0.000 0.492) 16.768 6.022 ( -16.262 0.000 -6.008) 17.336 6.171 ( -7.981 0.000 2.411) 8.337 6.269 ( -5.710 0.000 23.876) 24.549 6.618 ( 2.303 0.000 -10.011) 10.273 6.692 ( -7.368 0.000 -9.706) 12.186 7.044 ( 25.624 0.000 13.774) 29.092 7.276 ( -1.287 0.000 5.325) 5.478 7.364 ( 14.454 0.000 -5.563) 15.487 7.610 ( -1.430 0.000 4.226) 4.461 7.957 ( 3.021 0.000 -1.117) 3.221 8.027 ( -10.124 0.000 2.760) 10.494 8.349 ( 2.554 0.000 -6.349) 6.843 8.434 ( -4.352 0.000 11.670) 12.455 8.518 ( -14.304 0.000 -0.932) 14.334 8.860 ( 8.555 0.000 -11.939) 14.688 9.178 ( 8.935 0.000 -6.809) 11.233 9.253 ( 2.813 0.000 -7.880) 8.367 9.680 ( -12.632 0.000 -9.386) 15.738 9.975 ( -10.372 0.000 -7.712) 12.925 10.057 ( -5.343 0.000 7.761) 9.423 10.254 ( 7.658 0.000 6.650) 10.142 10.279 ( 9.152 0.000 10.191) 13.698 11.237 ( -1.954 0.000 -4.741) 5.128 11.290 ( -14.722 0.000 12.879) 19.561 11.441 ( 4.232 0.000 -9.669) 10.555 11.646 ( 6.537 0.000 -0.790) 6.584 12.088 ( 6.138 0.000 -0.973) 6.215 12.648 ( 19.546 0.000 -9.899) 21.910 12.902 ( -4.992 0.000 -5.406) 7.359 13.102 ( -1.443 0.000 -12.390) 12.473 13.205 ( 2.711 0.000 6.293) 6.852 13.286 ( 1.281 0.000 10.425) 10.504 13.431 ( -1.121 0.000 2.467) 2.710 13.862 ( -0.297 0.000 -13.756) 13.759 14.035 ( -2.336 0.000 4.372) 4.957 14.041 ( -4.655 0.000 -6.537) 8.025 14.668 ( -4.881 0.000 -6.774) 8.350 14.745 ( -1.383 0.000 1.003) 1.708 14.745 ( 0.926 0.000 0.409) 1.013 15.108 ( 0.179 0.000 1.573) 1.583 15.618 ( -24.542 0.000 -0.976) 24.562 16.005 ( -3.590 0.000 -5.298) 6.400 16.729 ( 11.597 0.000 -22.967) 25.729 16.866 ( -0.697 0.000 -1.275) 1.453 17.092 ( 3.440 0.000 -12.724) 13.180 17.670 ( -4.515 0.000 -18.510) 19.053 19.375 ( 8.430 0.000 24.807) 26.200 20.069 ( 4.458 0.000 35.687) 35.964 21.777 ( 5.726 0.000 -0.717) 5.771 22.127 ( -21.502 0.000 0.164) 21.503 22.317 ( -13.030 0.000 6.762) 14.680 22.329 ( -5.057 0.000 -4.890) 7.034 22.944 ( -2.884 0.000 -6.357) 6.981 23.200 ( 0.930 0.000 -16.096) 16.123 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 22.997 0.000 19.638) 30.241 2.147 ( 19.240 0.000 22.585) 29.669 3.029 ( 4.704 0.000 -6.817) 8.283 3.104 ( 4.586 0.000 -0.807) 4.656 3.425 ( 18.633 0.000 34.014) 38.783 3.710 ( -3.283 0.000 -4.805) 5.820 3.800 ( 14.986 0.000 -4.131) 15.545 3.805 ( 5.179 0.000 -13.769) 14.711 4.018 ( -6.390 0.000 -1.303) 6.521 4.518 ( 2.692 0.000 14.840) 15.083 4.569 ( 7.740 0.000 15.383) 17.221 4.887 ( -11.006 0.000 -0.111) 11.006 4.968 ( 7.930 0.000 18.397) 20.034 5.127 ( -11.754 0.000 21.644) 24.629 5.147 ( -3.224 0.000 2.338) 3.982 5.235 ( -10.773 0.000 -2.326) 11.021 5.525 ( 9.972 0.000 15.794) 18.678 5.621 ( -20.390 0.000 -5.117) 21.022 6.029 ( -7.799 0.000 -2.111) 8.080 6.111 ( 0.500 0.000 16.269) 16.277 6.445 ( 15.637 0.000 4.095) 16.165 6.476 ( -10.596 0.000 -18.061) 20.940 6.693 ( 2.930 0.000 -2.406) 3.792 7.273 ( 2.518 0.000 0.762) 2.631 7.536 ( 18.503 0.000 8.624) 20.414 7.549 ( -1.912 0.000 6.608) 6.879 7.624 ( 7.715 0.000 -4.224) 8.796 7.852 ( -4.807 0.000 13.734) 14.551 8.096 ( 8.886 0.000 4.368) 9.902 8.211 ( -8.215 0.000 10.905) 13.653 8.232 ( -14.319 0.000 -3.206) 14.673 8.530 ( 5.271 0.000 -13.856) 14.825 8.904 ( 0.729 0.000 -17.197) 17.213 9.116 ( -13.600 0.000 -1.399) 13.672 9.384 ( -15.172 0.000 -6.768) 16.613 9.498 ( 16.610 0.000 -4.407) 17.185 9.771 ( -10.159 0.000 -14.142) 17.412 9.918 ( -6.935 0.000 4.611) 8.328 10.333 ( -1.636 0.000 12.515) 12.621 10.452 ( 6.845 0.000 5.501) 8.782 11.096 ( -2.043 0.000 6.916) 7.211 11.271 ( 2.999 0.000 5.789) 6.520 11.581 ( 9.619 0.000 -5.151) 10.911 11.817 ( 9.596 0.000 0.744) 9.624 12.194 ( 6.667 0.000 -2.305) 7.054 12.779 ( -6.587 0.000 -9.295) 11.392 12.977 ( 9.608 0.000 -1.899) 9.794 13.044 ( -4.564 0.000 -8.161) 9.350 13.234 ( 1.856 0.000 2.837) 3.390 13.380 ( 7.866 0.000 -1.956) 8.105 13.407 ( -0.802 0.000 2.223) 2.363 13.853 ( -0.666 0.000 -7.884) 7.912 13.905 ( -8.625 0.000 3.487) 9.303 13.987 ( -2.013 0.000 1.859) 2.740 14.497 ( -11.851 0.000 -4.672) 12.739 14.708 ( -3.434 0.000 -2.567) 4.287 14.787 ( 3.241 0.000 13.362) 13.750 15.120 ( 0.778 0.000 -4.975) 5.036 15.174 ( -16.602 0.000 -3.518) 16.970 15.888 ( -7.905 0.000 -6.280) 10.096 16.867 ( 1.238 0.000 -8.594) 8.683 16.928 ( 8.175 0.000 -23.116) 24.519 17.153 ( 2.271 0.000 -14.379) 14.557 17.542 ( -7.825 0.000 -22.425) 23.751 19.616 ( 15.197 0.000 24.324) 28.681 20.190 ( 7.350 0.000 34.757) 35.526 21.606 ( -24.641 0.000 20.807) 32.251 21.919 ( 1.400 0.000 2.243) 2.644 21.968 ( -14.383 0.000 6.636) 15.840 22.368 ( 4.581 0.000 -14.898) 15.586 22.853 ( -6.036 0.000 -5.766) 8.347 23.137 ( -6.381 0.000 -15.445) 16.711 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 24.557 0.000 10.672) 26.776 2.547 ( 19.925 0.000 12.143) 23.334 3.096 ( 1.692 0.000 -5.372) 5.632 3.290 ( 13.192 0.000 12.087) 17.892 3.553 ( -11.240 0.000 -3.720) 11.840 3.593 ( -1.359 0.000 30.073) 30.104 3.835 ( -8.117 0.000 0.707) 8.147 3.855 ( 1.504 0.000 -6.533) 6.704 4.149 ( 18.594 0.000 -7.473) 20.040 4.492 ( -25.032 0.000 -1.880) 25.102 4.593 ( 7.412 0.000 13.123) 15.071 4.804 ( 7.385 0.000 14.062) 15.883 4.847 ( -18.722 0.000 21.417) 28.447 4.981 ( -6.952 0.000 -4.765) 8.428 5.232 ( 7.026 0.000 7.372) 10.184 5.311 ( -6.676 0.000 -8.906) 11.130 5.333 ( 19.800 0.000 14.787) 24.712 5.809 ( 18.630 0.000 17.617) 25.640 5.879 ( -6.673 0.000 -7.542) 10.070 6.147 ( 3.812 0.000 16.300) 16.740 6.244 ( -12.666 0.000 -8.526) 15.268 6.654 ( 4.924 0.000 7.580) 9.039 6.785 ( 6.818 0.000 -9.201) 11.451 7.346 ( -4.767 0.000 -5.399) 7.203 7.437 ( -8.524 0.000 2.073) 8.773 7.624 ( 5.689 0.000 5.543) 7.943 7.749 ( 3.856 0.000 -5.430) 6.660 7.816 ( -12.351 0.000 -6.041) 13.749 8.012 ( -8.056 0.000 1.989) 8.298 8.129 ( 10.477 0.000 11.045) 15.224 8.341 ( 11.464 0.000 12.895) 17.255 8.581 ( 1.212 0.000 -12.330) 12.390 8.763 ( -18.901 0.000 -3.275) 19.182 8.992 ( 6.969 0.000 -14.378) 15.978 9.129 ( -11.336 0.000 2.248) 11.557 9.550 ( -8.781 0.000 -9.081) 12.632 9.584 ( -9.085 0.000 4.358) 10.076 10.010 ( 16.095 0.000 -8.070) 18.005 10.180 ( -12.502 0.000 14.959) 19.495 10.536 ( 1.431 0.000 0.109) 1.435 11.156 ( 6.172 0.000 7.408) 9.643 11.340 ( 2.848 0.000 10.585) 10.961 11.800 ( 11.028 0.000 -1.931) 11.196 11.992 ( 6.763 0.000 0.828) 6.813 12.392 ( 12.883 0.000 -0.842) 12.911 12.671 ( -3.206 0.000 -10.817) 11.282 12.925 ( -6.876 0.000 -5.167) 8.601 13.014 ( -3.138 0.000 1.240) 3.374 13.299 ( 2.977 0.000 4.936) 5.764 13.420 ( 2.539 0.000 3.337) 4.193 13.563 ( 5.754 0.000 -9.505) 11.111 13.735 ( -3.867 0.000 7.630) 8.554 13.830 ( -2.182 0.000 0.154) 2.188 13.961 ( -0.607 0.000 -1.359) 1.489 14.227 ( -13.555 0.000 1.447) 13.632 14.520 ( -14.580 0.000 -4.549) 15.273 14.870 ( 4.800 0.000 13.570) 14.394 15.057 ( 3.903 0.000 -7.431) 8.393 15.121 ( -1.086 0.000 -3.258) 3.434 15.695 ( -11.040 0.000 -6.705) 12.916 16.922 ( 4.268 0.000 -17.140) 17.664 17.059 ( 4.958 0.000 -21.837) 22.393 17.179 ( 0.373 0.000 -16.639) 16.643 17.371 ( -8.905 0.000 -25.490) 27.001 19.973 ( 20.112 0.000 22.566) 30.227 20.359 ( 9.425 0.000 32.608) 33.943 21.170 ( -18.934 0.000 24.323) 30.824 21.462 ( -26.241 0.000 13.327) 29.432 22.127 ( 10.052 0.000 -1.280) 10.133 22.481 ( 6.537 0.000 -15.268) 16.609 22.707 ( -8.298 0.000 -4.777) 9.575 22.977 ( -8.906 0.000 -14.699) 17.187 ======================= Grid point 94 (35/75) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 19.790 0.000 6.723) 20.901 2.934 ( 18.323 0.000 6.488) 19.437 3.024 ( -10.690 0.000 1.503) 10.795 3.271 ( -14.998 0.000 0.773) 15.018 3.568 ( 3.018 0.000 18.026) 18.277 3.607 ( 15.863 0.000 12.662) 20.297 3.691 ( -7.195 0.000 10.588) 12.802 3.931 ( -5.012 0.000 8.922) 10.233 4.052 ( -3.545 0.000 0.004) 3.545 4.397 ( -23.246 0.000 15.364) 27.865 4.474 ( 13.057 0.000 -8.364) 15.506 4.670 ( -4.803 0.000 0.873) 4.881 4.867 ( 3.166 0.000 4.048) 5.140 4.915 ( -0.382 0.000 12.637) 12.643 5.322 ( 4.532 0.000 -9.950) 10.934 5.368 ( 2.845 0.000 0.132) 2.848 5.697 ( 16.251 0.000 10.733) 19.476 5.808 ( 2.076 0.000 -4.101) 4.596 5.949 ( -6.794 0.000 14.532) 16.042 5.981 ( -12.636 0.000 -0.811) 12.662 6.477 ( 24.532 0.000 9.626) 26.353 6.720 ( 1.369 0.000 9.833) 9.928 6.971 ( 11.409 0.000 -12.454) 16.890 7.112 ( -7.752 0.000 3.090) 8.345 7.219 ( -12.426 0.000 -8.086) 14.826 7.352 ( -23.842 0.000 1.849) 23.913 7.803 ( 2.597 0.000 -0.975) 2.774 7.879 ( -5.118 0.000 1.048) 5.224 8.031 ( 20.758 0.000 -7.343) 22.018 8.356 ( 1.210 0.000 -1.371) 1.828 8.436 ( -2.342 0.000 -1.772) 2.937 8.535 ( 6.824 0.000 6.242) 9.249 8.600 ( -0.149 0.000 -4.445) 4.448 8.794 ( -21.454 0.000 -5.160) 22.066 9.150 ( 8.918 0.000 -8.417) 12.262 9.358 ( -11.551 0.000 0.156) 11.552 9.585 ( 11.265 0.000 11.559) 16.140 9.881 ( -16.133 0.000 15.671) 22.491 10.320 ( 12.879 0.000 -7.626) 14.968 10.502 ( -5.167 0.000 -4.512) 6.860 11.283 ( 5.557 0.000 9.852) 11.311 11.357 ( -1.467 0.000 11.736) 11.828 11.985 ( 6.741 0.000 -1.557) 6.919 12.058 ( -0.353 0.000 -1.087) 1.143 12.675 ( 3.458 0.000 -8.139) 8.843 12.676 ( 13.969 0.000 0.269) 13.972 12.784 ( -6.712 0.000 -5.338) 8.576 12.904 ( -8.132 0.000 -0.189) 8.135 13.350 ( 3.061 0.000 5.537) 6.327 13.459 ( -7.895 0.000 6.830) 10.440 13.525 ( 8.083 0.000 5.985) 10.057 13.718 ( -9.316 0.000 6.463) 11.338 13.910 ( 13.837 0.000 -7.325) 15.656 13.966 ( 1.282 0.000 -1.770) 2.185 14.025 ( -5.582 0.000 0.616) 5.616 14.208 ( -15.525 0.000 -6.470) 16.819 14.973 ( 5.278 0.000 9.689) 11.033 15.070 ( -3.954 0.000 3.322) 5.164 15.221 ( 10.819 0.000 -7.795) 13.334 15.458 ( -12.227 0.000 -7.248) 14.214 17.037 ( 6.951 0.000 -23.584) 24.587 17.134 ( 2.649 0.000 -20.235) 20.407 17.171 ( -1.126 0.000 -18.666) 18.700 17.194 ( -8.510 0.000 -26.228) 27.574 20.417 ( 23.942 0.000 19.955) 31.168 20.570 ( 11.680 0.000 29.613) 31.833 20.834 ( -14.737 0.000 26.666) 30.467 20.927 ( -26.426 0.000 16.838) 31.334 22.330 ( 10.035 0.000 -2.216) 10.277 22.527 ( -9.505 0.000 -3.492) 10.126 22.627 ( 7.874 0.000 -14.971) 16.915 22.796 ( -8.862 0.000 -14.645) 17.118 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 14.909 30.800) 34.219 1.557 ( 0.000 -5.039 39.784) 40.102 2.650 ( 0.000 -31.063 -18.010) 35.907 2.684 ( 0.000 -13.537 3.075) 13.882 3.089 ( 0.000 31.871 46.676) 56.519 3.489 ( 0.000 4.744 -10.503) 11.524 3.606 ( 0.000 2.761 -9.840) 10.220 3.881 ( 0.000 19.095 -9.329) 21.252 4.073 ( 0.000 5.609 3.142) 6.429 4.650 ( 0.000 -2.263 17.479) 17.625 4.673 ( 0.000 1.747 16.102) 16.196 4.702 ( 0.000 -17.254 -7.489) 18.809 5.134 ( 0.000 -4.656 14.304) 15.043 5.204 ( 0.000 -3.584 9.048) 9.732 5.225 ( 0.000 -2.660 18.557) 18.747 5.452 ( 0.000 4.836 19.465) 20.057 5.537 ( 0.000 -11.728 -4.087) 12.420 5.797 ( 0.000 -3.911 2.172) 4.473 6.214 ( 0.000 -14.773 15.392) 21.334 6.253 ( 0.000 9.721 -0.169) 9.722 6.414 ( 0.000 1.121 17.109) 17.146 6.697 ( 0.000 18.409 -18.971) 26.434 6.724 ( 0.000 14.666 4.146) 15.241 7.028 ( 0.000 -5.773 3.136) 6.570 7.145 ( 0.000 4.243 -1.712) 4.576 7.201 ( 0.000 6.260 -8.418) 10.491 7.842 ( 0.000 -9.617 -11.914) 15.311 7.931 ( 0.000 -5.724 -1.869) 6.021 7.995 ( 0.000 17.676 -6.032) 18.677 8.232 ( 0.000 -11.265 11.832) 16.337 8.410 ( 0.000 -20.997 -3.016) 21.212 8.640 ( 0.000 9.470 1.087) 9.532 8.884 ( 0.000 1.618 -5.883) 6.102 8.953 ( 0.000 5.556 10.392) 11.784 9.249 ( 0.000 -2.835 -14.576) 14.849 9.679 ( 0.000 -15.315 -7.374) 16.998 9.886 ( 0.000 -8.138 5.807) 9.997 10.064 ( 0.000 -4.760 5.300) 7.124 10.205 ( 0.000 2.038 10.975) 11.163 10.218 ( 0.000 2.070 1.793) 2.739 11.248 ( 0.000 2.663 -4.365) 5.113 11.540 ( 0.000 -3.412 -2.698) 4.350 11.562 ( 0.000 11.752 -1.829) 11.893 11.734 ( 0.000 9.134 -4.536) 10.198 11.916 ( 0.000 2.416 8.431) 8.770 12.348 ( 0.000 -6.340 -11.313) 12.968 12.850 ( 0.000 -8.035 -3.120) 8.620 12.936 ( 0.000 -13.367 9.314) 16.292 13.173 ( 0.000 5.301 -14.303) 15.254 13.398 ( 0.000 8.607 12.545) 15.214 13.621 ( 0.000 9.680 -0.136) 9.681 13.858 ( 0.000 -1.796 -14.035) 14.149 14.001 ( 0.000 -6.629 -20.267) 21.324 14.083 ( 0.000 2.047 6.355) 6.677 14.402 ( 0.000 -11.501 4.740) 12.440 14.502 ( 0.000 -16.021 17.712) 23.883 15.192 ( 0.000 8.102 5.603) 9.850 15.263 ( 0.000 27.242 -25.886) 37.580 15.914 ( 0.000 -7.075 -13.091) 14.880 16.066 ( 0.000 4.754 7.350) 8.753 16.456 ( 0.000 -10.320 -12.079) 15.887 16.851 ( 0.000 -9.800 -19.645) 21.954 17.092 ( 0.000 11.497 -6.757) 13.335 17.693 ( 0.000 -2.516 -17.760) 17.937 19.321 ( 0.000 3.423 27.075) 27.291 19.898 ( 0.000 -10.993 35.936) 37.580 21.799 ( 0.000 7.497 -2.685) 7.964 22.203 ( 0.000 -2.708 -17.411) 17.620 22.473 ( 0.000 1.870 5.845) 6.137 22.611 ( 0.000 -0.051 4.370) 4.371 23.069 ( 0.000 7.444 -12.690) 14.712 23.154 ( 0.000 1.623 -12.900) 13.002 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.11 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 9.276 12.603 26.360) 30.655 1.774 ( 15.355 0.488 33.992) 37.303 2.620 ( 2.498 -21.832 -3.616) 22.270 2.917 ( 16.385 -20.199 -6.207) 26.739 3.266 ( 12.558 23.672 28.616) 39.204 3.431 ( 0.040 6.698 -0.016) 6.698 3.704 ( 5.036 -0.577 -8.574) 9.960 3.968 ( 7.254 17.777 -8.788) 21.116 4.097 ( 2.283 6.578 0.934) 7.026 4.508 ( -6.652 -3.376 5.893) 9.507 4.646 ( -2.641 0.608 23.356) 23.513 4.754 ( 0.113 -11.413 3.780) 12.023 4.975 ( -9.332 -3.056 12.420) 15.833 5.225 ( 6.464 -6.904 14.679) 17.462 5.252 ( -1.992 1.619 5.754) 6.301 5.420 ( -2.825 5.993 18.583) 19.729 5.553 ( -8.072 -2.725 -6.214) 10.545 5.859 ( 7.856 -8.181 5.012) 12.400 6.067 ( -16.569 -4.989 6.963) 18.652 6.240 ( -1.543 8.568 -0.174) 8.708 6.337 ( -9.894 7.284 10.302) 16.034 6.409 ( 1.463 -12.030 5.394) 13.265 6.866 ( -3.336 9.326 -9.412) 13.664 7.063 ( -0.067 -0.726 -1.362) 1.545 7.195 ( 13.604 7.575 6.320) 16.804 7.446 ( 12.487 2.446 -2.021) 12.884 7.779 ( -0.927 -4.151 -4.015) 5.849 7.869 ( -4.986 -0.350 -0.405) 5.014 8.076 ( 6.540 13.737 -0.618) 15.227 8.373 ( -4.042 -5.840 8.074) 10.753 8.390 ( 5.849 1.332 2.064) 6.344 8.595 ( -4.965 -5.696 -6.097) 9.709 8.739 ( 3.173 3.890 -7.423) 8.961 8.949 ( -6.501 -14.388 -3.156) 16.101 9.343 ( 1.480 -4.909 -8.237) 9.702 9.617 ( -1.034 -8.983 -10.198) 13.630 9.746 ( -10.731 -3.592 2.770) 11.651 10.163 ( 0.641 -4.280 6.884) 8.131 10.183 ( -1.793 4.048 2.189) 4.939 10.351 ( 14.556 1.389 8.736) 17.034 11.256 ( -0.544 3.025 -3.249) 4.473 11.405 ( -13.254 9.976 11.477) 20.172 11.540 ( -0.790 4.110 -7.174) 8.305 11.623 ( 5.120 0.928 -2.960) 5.987 12.107 ( 6.363 1.918 -1.150) 6.744 12.561 ( 17.461 -7.868 -8.797) 21.076 12.806 ( -3.775 -7.243 -4.228) 9.197 12.962 ( 2.204 -14.081 6.464) 15.650 13.177 ( 0.296 6.408 -12.160) 13.748 13.380 ( -1.665 8.165 11.812) 14.455 13.633 ( 1.142 10.138 -1.781) 10.356 13.858 ( -0.166 -1.061 -12.195) 12.243 13.982 ( -1.961 -3.940 -13.810) 14.494 14.067 ( -1.609 2.007 4.885) 5.521 14.356 ( -4.043 -12.625 3.360) 13.675 14.510 ( 1.006 -16.341 16.306) 23.107 15.158 ( -4.542 11.452 7.704) 14.530 15.237 ( -1.419 21.501 -23.805) 32.109 15.717 ( -18.233 4.684 -5.720) 19.675 15.974 ( -5.004 -1.775 -3.577) 6.402 16.549 ( 5.851 -12.647 -7.760) 15.950 16.884 ( 3.313 -8.470 -22.847) 24.591 17.114 ( 1.740 8.635 -8.854) 12.489 17.643 ( -4.896 -2.886 -19.330) 20.148 19.411 ( 8.648 3.670 26.913) 28.505 19.957 ( 5.563 -9.969 35.494) 37.285 21.846 ( 4.066 6.593 -2.275) 8.073 22.185 ( -7.284 1.372 -11.388) 13.588 22.319 ( -15.625 1.914 8.443) 17.863 22.367 ( -12.300 2.593 4.788) 13.451 22.992 ( -4.322 4.599 -8.678) 10.730 23.202 ( -0.381 -0.143 -15.304) 15.310 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.22 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 22.073 13.914 15.266) 30.230 2.139 ( 20.156 0.321 24.300) 31.573 2.747 ( 9.793 -16.978 7.039) 20.826 3.264 ( 14.480 -13.714 -7.156) 21.189 3.338 ( 1.049 2.685 -8.474) 8.951 3.606 ( 9.258 9.232 24.382) 27.666 3.741 ( -1.696 -1.675 -9.072) 9.380 4.072 ( -6.459 5.435 -0.333) 8.447 4.117 ( 7.297 13.124 -4.742) 15.747 4.492 ( -2.223 -4.284 11.632) 12.594 4.617 ( 8.246 3.619 16.776) 19.040 4.715 ( -6.279 -10.617 2.620) 12.610 4.895 ( 0.775 -1.095 14.448) 14.510 5.209 ( -2.751 5.614 2.975) 6.924 5.270 ( -8.016 2.797 6.089) 10.448 5.331 ( -4.567 11.365 15.617) 19.847 5.417 ( 5.917 -7.143 11.837) 15.038 5.670 ( -17.024 -0.116 -2.400) 17.193 5.925 ( -3.043 -7.842 3.249) 9.017 6.209 ( 1.196 12.457 1.856) 12.651 6.285 ( 1.690 -3.595 14.131) 14.678 6.567 ( 9.784 -13.371 0.693) 16.583 6.792 ( 0.069 4.277 -11.234) 12.021 7.051 ( -1.526 -0.636 -0.423) 1.706 7.482 ( 6.010 -4.614 3.180) 8.217 7.524 ( 3.619 1.547 10.910) 11.598 7.731 ( -6.006 -7.089 9.120) 13.019 7.888 ( 6.114 9.263 -11.453) 15.948 8.162 ( -7.136 9.135 5.854) 12.986 8.291 ( 6.695 9.757 11.570) 16.549 8.345 ( -9.784 3.892 -5.896) 12.068 8.519 ( -2.350 -2.895 -8.815) 9.571 8.827 ( 5.377 -5.084 -11.048) 13.297 9.029 ( 9.702 -13.121 -1.619) 16.399 9.182 ( -12.883 -11.129 -12.285) 20.995 9.442 ( -17.115 -3.710 -1.454) 17.573 9.702 ( 7.284 -1.307 -6.499) 9.848 10.078 ( -7.293 -2.754 5.724) 9.671 10.217 ( 1.307 5.310 3.106) 6.289 10.576 ( 5.591 4.435 4.698) 8.545 11.160 ( -3.050 5.863 4.966) 8.266 11.348 ( 2.774 7.278 7.124) 10.555 11.582 ( 5.341 -1.315 -1.969) 5.843 11.763 ( 7.976 -3.997 -0.219) 8.924 12.233 ( 7.828 3.988 -3.168) 9.339 12.717 ( -4.592 -4.782 -7.398) 9.934 12.826 ( 5.762 -9.563 -5.124) 12.285 13.010 ( 0.772 -14.503 1.198) 14.573 13.210 ( 5.111 7.545 -5.349) 10.567 13.352 ( -0.297 7.570 8.271) 11.217 13.670 ( 2.763 10.387 -5.543) 12.093 13.838 ( -2.755 -0.597 -4.742) 5.517 13.926 ( -2.899 1.148 -5.098) 5.976 14.020 ( -2.828 2.958 4.905) 6.388 14.266 ( -4.752 -11.917 -1.316) 12.897 14.545 ( 1.941 -17.273 13.280) 21.874 15.011 ( -8.975 16.000 3.020) 18.592 15.197 ( -4.539 11.251 -8.377) 14.743 15.363 ( -12.589 10.368 -6.681) 17.624 15.847 ( -8.022 -3.874 -6.627) 11.103 16.660 ( 5.610 -12.058 -11.007) 17.263 16.971 ( 4.734 -7.121 -25.649) 27.037 17.142 ( 0.790 4.042 -12.009) 12.696 17.509 ( -8.054 -3.277 -22.489) 24.111 19.653 ( 15.055 3.689 25.877) 30.164 20.105 ( 8.927 -7.579 34.271) 36.216 21.703 ( -23.373 7.944 16.794) 29.857 21.957 ( -22.072 0.304 10.694) 24.528 22.020 ( 5.950 7.185 -1.884) 9.517 22.346 ( 4.278 -2.192 -13.498) 14.328 22.888 ( -6.258 3.374 -7.159) 10.090 23.122 ( -6.748 -1.562 -14.661) 16.215 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.33 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 22.786 11.058 9.400) 27.016 2.553 ( 20.438 1.168 15.279) 25.544 2.999 ( 14.640 -10.807 13.506) 22.661 3.287 ( -2.793 5.201 -2.468) 6.398 3.459 ( -2.068 -11.261 -3.309) 11.918 3.681 ( -2.357 -1.127 6.598) 7.097 3.746 ( 7.622 -0.203 2.372) 7.985 3.885 ( -9.987 6.363 3.487) 12.344 4.239 ( 2.312 1.943 -3.918) 4.947 4.358 ( -15.150 -9.823 -0.911) 18.079 4.597 ( 4.696 0.774 14.389) 15.156 4.729 ( -6.604 -2.550 14.918) 16.512 4.932 ( 1.047 6.075 15.328) 16.521 5.002 ( -9.917 -0.639 -0.506) 9.950 5.157 ( -5.865 -5.408 5.540) 9.713 5.308 ( 3.797 3.375 6.390) 8.164 5.544 ( 9.296 10.591 -1.785) 14.205 5.785 ( 18.605 2.374 14.364) 23.625 5.870 ( 3.691 -0.355 1.482) 3.993 6.200 ( -0.459 8.352 13.733) 16.080 6.357 ( -0.377 4.336 4.716) 6.418 6.666 ( 6.105 -2.602 -3.778) 7.637 6.861 ( -1.048 10.712 -8.903) 13.968 7.086 ( 5.191 -19.359 -6.496) 21.070 7.376 ( -3.117 -9.900 4.701) 11.394 7.518 ( -12.355 -3.393 6.502) 14.367 7.697 ( -4.721 0.097 -5.079) 6.935 7.932 ( -1.391 1.329 -0.865) 2.109 8.038 ( -0.662 4.147 4.901) 6.454 8.194 ( 0.175 2.369 -1.132) 2.632 8.431 ( 4.222 7.311 8.734) 12.147 8.515 ( 1.336 -6.198 -6.182) 8.856 8.794 ( -19.183 -2.426 -6.205) 20.307 8.984 ( 3.982 -1.521 -5.739) 7.149 9.093 ( -8.531 -1.859 -11.997) 14.838 9.262 ( 6.138 -0.930 4.878) 7.895 9.877 ( -11.132 -0.453 5.064) 12.238 9.942 ( 13.802 -7.206 -4.224) 16.132 10.152 ( -7.166 8.159 3.448) 11.394 10.585 ( -3.234 2.401 0.382) 4.046 11.207 ( 6.091 4.921 6.706) 10.309 11.409 ( 2.342 6.471 9.426) 11.670 11.734 ( 8.703 -6.735 1.090) 11.059 11.907 ( 5.429 -6.750 0.520) 8.678 12.436 ( 11.640 3.557 -3.083) 12.556 12.647 ( -1.554 -1.600 -8.436) 8.726 12.835 ( -3.117 -7.315 -3.276) 8.600 12.949 ( -5.162 -7.813 -0.869) 9.404 13.332 ( 4.880 3.822 11.960) 13.471 13.413 ( 5.915 6.302 -3.153) 9.201 13.725 ( -7.262 2.228 4.492) 8.825 13.764 ( 6.946 8.452 -9.865) 14.731 13.892 ( -1.541 4.816 -2.096) 5.474 13.974 ( -1.171 1.529 1.549) 2.472 14.140 ( -8.084 -5.669 0.695) 9.898 14.511 ( -7.829 -8.692 6.102) 13.194 14.881 ( -0.975 8.646 1.835) 8.892 15.076 ( -3.750 4.085 0.492) 5.567 15.253 ( -1.962 7.015 -5.318) 9.019 15.656 ( -10.611 -4.100 -6.642) 13.173 16.789 ( 7.324 -8.759 -18.770) 21.970 17.056 ( 3.478 -6.223 -24.707) 25.715 17.145 ( -0.449 0.411 -15.231) 15.243 17.334 ( -9.090 -3.317 -25.133) 26.932 20.003 ( 19.518 2.881 23.843) 30.948 20.309 ( 11.261 -4.596 32.124) 34.350 21.245 ( -21.070 6.300 22.945) 31.782 21.462 ( -26.134 -0.155 14.591) 29.932 22.185 ( 9.114 5.188 -3.140) 10.947 22.456 ( 6.358 -2.243 -14.493) 15.985 22.743 ( -8.007 3.172 -6.141) 10.578 22.959 ( -8.931 -1.813 -14.078) 16.770 ======================= Grid point 103 (40/75) ======================= q-point: ( 0.44 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 17.278 6.728 5.967) 19.478 2.924 ( 13.255 1.091 10.788) 17.125 3.122 ( -5.599 7.823 -2.067) 9.840 3.287 ( -12.001 1.028 3.239) 12.473 3.377 ( 16.380 -11.410 21.091) 29.040 3.661 ( -2.777 -1.805 10.271) 10.791 3.696 ( -4.345 0.201 2.990) 5.278 3.876 ( -13.201 -6.030 4.974) 15.341 4.012 ( 8.259 -1.007 2.607) 8.719 4.355 ( -19.708 -1.484 11.441) 22.836 4.419 ( 10.296 -6.079 -4.034) 12.619 4.667 ( -11.193 -2.711 1.201) 11.579 4.868 ( 4.820 1.214 5.908) 7.721 4.945 ( -1.138 4.183 14.258) 14.902 5.232 ( 6.870 -6.936 2.749) 10.142 5.335 ( -2.335 -3.800 3.981) 5.978 5.818 ( 16.069 11.684 -2.095) 19.978 5.907 ( 7.654 8.066 3.975) 11.809 6.065 ( -3.580 8.531 8.773) 12.750 6.106 ( -10.867 11.073 6.291) 16.741 6.531 ( 20.026 3.442 4.112) 20.731 6.725 ( -1.600 3.178 0.554) 3.601 6.963 ( 11.392 -3.523 -7.445) 14.058 6.997 ( -4.812 -6.103 -2.591) 8.193 7.201 ( -14.601 -3.210 -0.185) 14.951 7.342 ( -17.149 -2.257 -5.732) 18.222 7.659 ( 13.890 -11.205 0.410) 17.851 7.885 ( -6.666 2.083 2.605) 7.454 8.031 ( 4.828 0.131 -3.777) 6.132 8.245 ( -11.400 -13.761 -4.913) 18.533 8.440 ( 3.607 -9.441 0.648) 10.128 8.490 ( -0.319 -0.011 4.035) 4.047 8.627 ( 4.275 9.713 -0.608) 10.629 8.806 ( -11.570 4.669 -5.981) 13.836 9.189 ( 9.079 1.094 -3.463) 9.779 9.355 ( -3.068 -0.842 4.087) 5.179 9.724 ( 2.149 7.258 7.680) 10.783 9.915 ( -12.030 7.461 8.172) 16.345 10.262 ( 13.109 -5.434 -5.978) 15.398 10.475 ( -7.869 -2.846 -3.336) 9.009 11.337 ( 5.808 5.140 8.472) 11.485 11.417 ( -1.815 5.729 9.856) 11.544 11.891 ( 6.150 -8.666 0.878) 10.663 11.959 ( -0.390 -8.242 0.187) 8.253 12.627 ( 5.587 -2.178 -5.371) 8.050 12.691 ( 5.592 -1.231 -3.234) 6.576 12.742 ( -4.234 -3.135 -3.121) 6.124 12.838 ( -6.014 -6.135 -0.585) 8.611 13.455 ( 6.490 10.100 9.490) 15.303 13.517 ( 3.687 5.753 2.112) 7.152 13.604 ( -1.910 5.572 3.359) 6.781 13.763 ( -10.193 6.735 4.474) 13.010 13.928 ( 4.303 -1.209 -3.807) 5.871 13.986 ( -2.128 -2.692 -0.836) 3.532 14.038 ( 6.628 6.059 -3.439) 9.616 14.275 ( -13.310 3.152 -3.160) 14.038 14.944 ( 4.958 -0.452 6.112) 7.883 15.031 ( -2.883 -0.846 3.216) 4.401 15.271 ( 5.005 1.677 -4.204) 6.749 15.439 ( -10.451 -2.699 -6.187) 12.441 16.951 ( 8.703 -5.896 -24.130) 26.320 17.108 ( 0.040 -3.656 -23.150) 23.437 17.115 ( -2.653 -4.565 -20.376) 21.048 17.163 ( -5.777 -2.687 -23.359) 24.212 20.431 ( 22.946 1.430 21.297) 31.339 20.561 ( 14.000 -1.054 29.134) 32.341 20.859 ( -17.720 2.202 25.377) 31.029 20.938 ( -25.162 0.762 18.897) 31.477 22.372 ( 9.318 3.896 -4.075) 10.891 22.544 ( -5.281 1.492 -7.524) 9.312 22.625 ( 4.023 -0.153 -11.882) 12.546 22.779 ( -8.759 -1.757 -13.996) 16.604 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 13.570 19.087) 23.419 1.916 ( 0.000 20.674 18.691) 27.871 2.060 ( 0.000 -26.173 -4.820) 26.613 2.340 ( 0.000 -19.893 8.981) 21.826 3.569 ( 0.000 3.262 -8.970) 9.544 3.609 ( 0.000 -1.056 -6.550) 6.634 3.778 ( 0.000 32.581 24.864) 40.984 4.200 ( 0.000 10.156 -8.230) 13.072 4.224 ( 0.000 7.314 -2.794) 7.829 4.315 ( 0.000 -21.490 -1.749) 21.561 4.632 ( 0.000 4.012 14.045) 14.607 4.758 ( 0.000 6.790 22.329) 23.339 4.934 ( 0.000 -14.369 21.242) 25.645 4.963 ( 0.000 -19.786 16.107) 25.513 5.239 ( 0.000 3.385 9.990) 10.548 5.327 ( 0.000 -5.736 1.411) 5.907 5.544 ( 0.000 4.307 20.332) 20.783 5.643 ( 0.000 -6.470 21.185) 22.151 6.184 ( 0.000 6.459 -3.086) 7.159 6.319 ( 0.000 -4.278 -8.492) 9.509 6.523 ( 0.000 9.767 15.785) 18.562 6.764 ( 0.000 -13.486 11.025) 17.419 7.041 ( 0.000 16.061 6.808) 17.445 7.124 ( 0.000 17.369 -20.693) 27.017 7.296 ( 0.000 5.367 -10.075) 11.415 7.383 ( 0.000 5.706 -12.688) 13.912 7.686 ( 0.000 -6.658 5.778) 8.815 7.686 ( 0.000 -0.582 -11.112) 11.127 7.918 ( 0.000 -16.622 7.550) 18.257 7.922 ( 0.000 -24.127 1.561) 24.178 8.535 ( 0.000 25.576 -10.253) 27.555 8.862 ( 0.000 -5.616 -1.795) 5.896 8.885 ( 0.000 13.681 1.553) 13.769 9.045 ( 0.000 4.258 2.908) 5.156 9.135 ( 0.000 -8.093 -9.038) 12.132 9.272 ( 0.000 -21.609 -6.321) 22.515 9.857 ( 0.000 3.463 6.027) 6.951 9.958 ( 0.000 -5.620 4.552) 7.232 10.233 ( 0.000 0.748 10.325) 10.352 10.237 ( 0.000 0.275 7.235) 7.240 11.343 ( 0.000 5.699 -3.703) 6.796 11.453 ( 0.000 -5.049 -3.825) 6.334 11.796 ( 0.000 10.353 8.661) 13.498 11.930 ( 0.000 -2.371 10.830) 11.087 11.948 ( 0.000 11.504 -13.922) 18.060 12.175 ( 0.000 -10.486 -13.655) 17.217 12.714 ( 0.000 -3.831 -2.096) 4.367 12.736 ( 0.000 -5.943 3.418) 6.856 13.322 ( 0.000 9.138 -13.003) 15.893 13.486 ( 0.000 -3.713 0.884) 3.817 13.754 ( 0.000 3.488 -2.802) 4.474 13.780 ( 0.000 -1.502 -9.052) 9.175 13.980 ( 0.000 4.637 -9.155) 10.263 14.122 ( 0.000 -1.506 6.642) 6.811 14.211 ( 0.000 -8.446 12.840) 15.369 14.248 ( 0.000 -5.253 12.064) 13.158 15.412 ( 0.000 13.257 -1.469) 13.338 15.694 ( 0.000 -13.784 -9.237) 16.593 15.804 ( 0.000 25.150 -25.565) 35.862 16.202 ( 0.000 -14.646 -9.649) 17.538 16.215 ( 0.000 10.679 2.713) 11.018 16.526 ( 0.000 -19.084 -15.421) 24.536 17.381 ( 0.000 13.760 -17.632) 22.365 17.597 ( 0.000 -7.579 -19.607) 21.021 19.437 ( 0.000 8.252 32.077) 33.122 19.649 ( 0.000 -12.405 35.355) 37.468 21.971 ( 0.000 8.561 -7.448) 11.347 22.118 ( 0.000 -5.841 -12.925) 14.184 22.523 ( 0.000 2.948 6.591) 7.220 22.581 ( 0.000 -2.555 7.124) 7.568 23.179 ( 0.000 2.732 -13.679) 13.949 23.188 ( 0.000 1.232 -12.697) 12.757 ======================= Grid point 109 (42/75) ======================= q-point: ( 0.11 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 15.845 12.890 16.961) 26.550 2.009 ( 9.177 20.366 18.955) 29.296 2.165 ( 9.873 -21.317 2.607) 23.636 2.467 ( 11.902 -23.343 4.880) 26.653 3.550 ( -0.330 6.026 -8.229) 10.204 3.642 ( 2.824 -2.024 -6.373) 7.259 3.818 ( 1.919 22.527 15.050) 27.160 4.170 ( -3.851 -4.720 -1.480) 6.269 4.269 ( 3.311 6.860 -5.078) 9.155 4.373 ( 5.414 -4.046 -2.592) 7.239 4.628 ( 0.329 6.026 16.197) 17.284 4.732 ( -3.688 4.120 19.520) 20.288 4.914 ( -0.375 -5.219 13.308) 14.300 5.001 ( 6.405 -12.631 18.373) 23.197 5.292 ( 0.855 1.240 8.997) 9.122 5.385 ( 5.610 -10.173 9.263) 14.859 5.552 ( 0.218 6.879 16.837) 18.190 5.693 ( 3.745 -7.525 16.217) 18.266 6.014 ( -14.058 3.123 -2.583) 14.630 6.137 ( -12.481 -7.843 -6.728) 16.204 6.456 ( -5.969 8.371 15.780) 18.834 6.627 ( -12.115 1.631 3.336) 12.671 6.771 ( -6.239 7.119 2.684) 9.839 7.094 ( -7.419 -12.310 -8.174) 16.535 7.508 ( 12.088 18.919 -5.074) 23.017 7.549 ( 9.629 8.268 -0.871) 12.722 7.666 ( 0.423 1.371 2.503) 2.885 7.881 ( 11.657 4.122 -8.100) 14.781 8.080 ( 15.611 -21.784 -10.988) 28.966 8.132 ( 14.047 -15.003 7.885) 22.013 8.501 ( -3.960 12.417 -2.924) 13.357 8.653 ( -10.574 4.885 2.623) 11.939 8.721 ( -16.063 3.388 0.685) 16.431 8.964 ( -2.915 12.723 -4.968) 13.966 9.098 ( -5.276 -17.077 -9.479) 20.231 9.273 ( -0.149 -18.033 -5.879) 18.967 9.894 ( -0.956 9.806 0.898) 9.893 10.061 ( -1.468 -6.511 2.848) 7.256 10.253 ( 5.813 3.644 7.264) 9.991 10.326 ( 12.834 -3.124 9.228) 16.113 11.353 ( 0.081 5.902 -3.050) 6.644 11.472 ( 1.171 -5.567 -3.009) 6.436 11.624 ( -11.175 9.233 6.631) 15.941 11.715 ( -6.483 1.573 0.702) 6.708 12.183 ( 9.666 6.575 -4.526) 12.535 12.368 ( 13.991 -10.526 -7.201) 18.932 12.695 ( -1.367 -2.142 -2.371) 3.475 12.747 ( 0.731 -6.997 2.019) 7.319 13.338 ( 1.494 8.926 -10.725) 14.033 13.475 ( -0.897 -1.862 2.159) 2.989 13.774 ( 1.834 4.086 -4.262) 6.183 13.812 ( 2.716 -1.327 -7.174) 7.785 13.968 ( -1.027 4.031 -9.157) 10.057 14.111 ( -1.177 -0.643 6.103) 6.248 14.164 ( -4.057 -6.816 11.194) 13.719 14.231 ( -1.163 -8.206 12.702) 15.167 15.370 ( -4.140 12.083 -0.218) 12.774 15.600 ( -7.513 -5.485 -9.054) 12.981 15.756 ( -6.887 15.865 -17.558) 24.646 15.989 ( -11.879 -1.531 -5.657) 13.246 16.365 ( 7.139 -0.922 -6.088) 9.428 16.584 ( 5.343 -17.555 -19.337) 26.657 17.348 ( -2.945 11.744 -17.766) 21.499 17.543 ( -5.018 -7.335 -20.187) 22.057 19.528 ( 8.673 8.085 31.258) 33.431 19.729 ( 7.530 -11.488 34.446) 37.084 22.002 ( 2.437 7.914 -6.697) 10.650 22.137 ( 0.876 -5.070 -11.618) 12.706 22.371 ( -14.510 2.381 7.941) 16.711 22.399 ( -15.092 -0.003 8.947) 17.544 23.100 ( -5.201 5.228 -11.372) 13.554 23.179 ( -3.178 -2.451 -13.321) 13.913 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.22 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 20.618 7.475 20.941) 30.323 2.281 ( 18.002 20.962 10.667) 29.619 2.426 ( 15.619 -13.205 14.569) 25.111 2.777 ( 17.725 -25.626 -1.388) 31.189 3.538 ( -2.104 8.611 -10.868) 14.025 3.671 ( -1.594 -4.935 -9.856) 11.138 3.847 ( 1.150 13.949 8.219) 16.231 4.113 ( -2.007 -7.715 -0.810) 8.013 4.312 ( 0.602 5.346 -0.109) 5.381 4.360 ( -7.804 -2.278 2.421) 8.482 4.619 ( -4.602 0.307 13.977) 14.719 4.653 ( 1.183 -0.809 16.856) 16.917 4.978 ( 4.561 8.231 11.259) 14.674 5.169 ( 3.740 -9.692 10.895) 15.054 5.328 ( -1.487 3.303 10.947) 11.531 5.369 ( -7.148 0.574 5.429) 8.994 5.556 ( 5.735 8.497 11.931) 15.730 5.621 ( -5.987 -0.079 -0.886) 6.053 5.854 ( 1.668 1.748 7.641) 8.014 6.104 ( 6.702 -18.841 7.346) 21.304 6.366 ( 1.524 3.547 12.649) 13.225 6.486 ( 0.247 1.024 0.091) 1.057 6.688 ( -3.802 7.426 7.007) 10.895 7.032 ( -0.876 -16.142 -3.888) 16.627 7.553 ( -5.893 7.052 0.739) 9.220 7.615 ( -2.087 0.177 2.316) 3.122 7.704 ( 1.979 18.642 0.951) 18.770 8.072 ( -1.053 9.480 -5.893) 11.212 8.216 ( 1.272 -17.429 -9.049) 19.680 8.329 ( 3.455 -0.499 -4.984) 6.085 8.337 ( -15.228 -7.013 1.039) 16.797 8.439 ( -1.827 -4.036 6.083) 7.525 8.732 ( 9.710 8.351 -2.176) 12.990 8.957 ( 1.368 -5.036 -7.845) 9.422 9.038 ( 4.403 4.984 -7.612) 10.108 9.281 ( 1.771 -12.164 -5.077) 13.299 9.753 ( -8.558 6.085 1.274) 10.578 9.909 ( -10.795 -8.858 5.059) 14.853 10.426 ( 6.315 10.017 0.748) 11.865 10.575 ( 7.329 -4.267 2.459) 8.830 11.307 ( -2.457 8.359 1.912) 8.920 11.473 ( 0.421 -6.228 2.586) 6.756 11.537 ( 1.211 7.707 4.374) 8.945 11.683 ( 2.933 -5.127 2.110) 6.272 12.368 ( 8.854 9.503 -4.392) 13.711 12.587 ( 5.493 -10.758 -5.139) 13.127 12.682 ( 0.924 -0.803 -4.222) 4.396 12.764 ( 1.170 -8.486 -0.015) 8.566 13.381 ( 2.817 7.818 -3.093) 8.867 13.465 ( 0.536 1.085 3.661) 3.856 13.814 ( 1.741 4.508 -4.575) 6.655 13.847 ( -0.316 1.175 -0.688) 1.397 13.951 ( -0.376 2.638 -8.683) 9.083 14.067 ( -3.225 -3.681 2.796) 5.636 14.102 ( -0.806 -0.069 6.013) 6.067 14.228 ( 1.171 -12.091 11.526) 16.745 15.247 ( -7.795 10.561 1.756) 13.244 15.430 ( -9.425 -4.888 -4.880) 11.685 15.532 ( -12.886 16.403 -8.256) 22.434 15.757 ( -11.375 -5.825 -6.614) 14.389 16.520 ( 8.462 1.319 -15.544) 17.747 16.714 ( 7.077 -14.700 -22.615) 27.885 17.275 ( -4.112 7.409 -18.699) 20.529 17.414 ( -7.395 -6.056 -21.732) 23.741 19.762 ( 14.144 7.080 29.349) 33.340 19.929 ( 11.898 -9.138 32.559) 35.849 21.856 ( -21.911 6.260 12.612) 26.045 21.939 ( -22.108 -2.201 11.484) 25.010 22.173 ( 3.479 6.771 -5.100) 9.163 22.281 ( 3.807 -4.211 -9.955) 11.460 22.977 ( -7.029 5.013 -9.914) 13.146 23.069 ( -7.278 -3.765 -12.596) 15.027 ======================= Grid point 111 (44/75) ======================= q-point: ( 0.33 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 17.827 6.217 20.425) 27.814 2.676 ( 18.312 7.355 14.704) 24.610 2.798 ( 21.296 -0.661 12.045) 24.476 3.122 ( 14.716 -19.777 -2.375) 24.765 3.454 ( -6.092 9.137 -9.919) 14.798 3.595 ( -4.371 -5.013 -7.277) 9.859 3.822 ( -3.984 6.353 3.155) 8.136 4.033 ( -9.387 -12.225 -5.148) 16.250 4.082 ( -11.983 8.903 9.617) 17.757 4.257 ( -6.299 -6.094 7.064) 11.257 4.665 ( 7.356 5.133 12.892) 15.706 4.725 ( -0.916 0.175 14.741) 14.771 4.956 ( -10.319 -1.613 2.409) 10.718 4.996 ( -9.823 -3.317 5.448) 11.712 5.121 ( -6.550 5.259 11.323) 14.098 5.262 ( -0.665 -6.697 11.937) 13.703 5.774 ( 13.529 11.115 -1.702) 17.592 5.878 ( 9.150 1.089 4.981) 10.475 5.991 ( 21.023 13.352 8.306) 26.253 6.217 ( 5.205 -5.582 5.518) 9.419 6.523 ( 4.783 -4.103 9.723) 11.587 6.610 ( 2.370 5.812 5.855) 8.584 6.668 ( 14.425 -5.923 -1.817) 15.700 6.989 ( -3.281 -13.093 0.522) 13.508 7.327 ( -13.030 11.126 -7.817) 18.833 7.461 ( -13.726 -2.807 -3.984) 14.566 7.741 ( -3.755 7.694 -0.223) 8.564 7.975 ( -1.642 -2.593 1.546) 3.437 8.049 ( -6.038 0.295 6.586) 8.939 8.215 ( -13.911 -17.633 -2.819) 22.636 8.276 ( -2.394 4.922 -8.199) 9.858 8.406 ( 0.915 -6.455 -5.316) 8.412 8.867 ( 3.295 9.202 0.930) 9.818 8.979 ( 1.174 -1.480 -3.680) 4.136 9.194 ( -0.437 8.488 -4.862) 9.792 9.309 ( 2.792 0.406 2.572) 3.818 9.720 ( -3.163 -6.325 6.080) 9.326 9.768 ( 11.018 -8.201 -2.604) 13.980 10.411 ( -7.324 11.821 -1.133) 13.952 10.573 ( -6.315 -4.169 -0.428) 7.579 11.347 ( 5.778 8.803 5.155) 11.724 11.544 ( 6.177 -8.564 5.007) 11.686 11.579 ( 1.746 7.267 5.104) 9.051 11.757 ( 2.945 -8.303 2.436) 9.141 12.522 ( 5.815 5.116 -3.833) 8.642 12.624 ( 0.995 -2.583 -3.212) 4.240 12.702 ( 0.029 -2.563 -3.959) 4.716 12.777 ( -1.129 -7.479 -2.489) 7.963 13.467 ( 6.492 6.916 6.902) 11.731 13.526 ( 5.510 2.258 1.561) 6.156 13.793 ( -3.212 4.839 2.462) 6.308 13.856 ( 1.703 0.995 -2.580) 3.247 13.952 ( -0.145 0.698 -6.463) 6.502 14.021 ( -0.435 -0.790 -3.802) 3.908 14.092 ( -1.788 4.095 4.922) 6.648 14.259 ( 0.712 -12.254 8.139) 14.728 15.091 ( -6.495 9.689 1.817) 11.806 15.227 ( -8.802 2.869 -4.226) 10.176 15.322 ( -8.194 5.654 -0.746) 9.984 15.528 ( -11.184 -8.857 -5.233) 15.195 16.700 ( 9.290 1.949 -22.078) 24.032 16.853 ( 6.611 -11.196 -23.487) 26.846 17.185 ( -4.901 2.854 -20.413) 21.187 17.256 ( -8.166 -4.027 -23.485) 25.188 20.084 ( 17.747 5.069 26.966) 32.678 20.197 ( 14.802 -5.965 30.232) 34.186 21.370 ( -24.234 5.316 20.262) 32.033 21.444 ( -25.685 -2.032 17.396) 31.088 22.302 ( 7.744 5.684 -7.490) 12.181 22.397 ( 6.891 -3.745 -11.993) 14.330 22.821 ( -8.385 4.308 -9.078) 13.087 22.904 ( -8.851 -3.651 -12.146) 15.466 ======================= Grid point 112 (45/75) ======================= q-point: ( 0.44 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 15.128 6.389 12.393) 20.574 3.003 ( 13.322 2.922 13.643) 19.291 3.162 ( 4.960 -3.303 13.196) 14.479 3.243 ( -3.150 -3.813 3.855) 6.271 3.359 ( 4.670 9.801 -1.762) 10.999 3.569 ( 3.494 -8.814 -2.723) 9.864 3.655 ( -14.048 -0.396 6.855) 15.636 3.724 ( -12.805 -6.844 -0.853) 14.544 4.086 ( 9.333 7.246 6.425) 13.449 4.256 ( 7.638 -9.047 3.072) 12.232 4.391 ( -19.246 5.039 8.513) 21.639 4.537 ( -18.106 -8.491 4.004) 20.395 4.951 ( 8.631 6.252 9.348) 14.176 5.070 ( -3.103 7.480 12.908) 15.238 5.090 ( 8.715 -7.132 8.347) 14.017 5.221 ( -4.045 -7.033 10.472) 13.248 6.054 ( 11.197 6.029 6.204) 14.149 6.066 ( 13.889 7.765 1.450) 15.978 6.232 ( -1.433 7.602 4.119) 8.764 6.299 ( -7.899 4.153 8.002) 11.986 6.577 ( 16.280 5.070 -3.254) 17.359 6.776 ( 6.739 -11.580 -6.297) 14.804 6.870 ( -10.492 5.956 -8.952) 15.024 6.928 ( 4.158 -3.034 -1.295) 5.308 7.184 ( -5.273 2.950 -4.964) 7.819 7.272 ( 9.005 -3.358 -0.375) 9.619 7.488 ( -11.921 -0.217 -4.181) 12.634 7.750 ( -22.121 -19.317 -5.418) 29.864 8.070 ( 4.430 4.925 3.030) 7.285 8.129 ( 2.226 6.055 6.322) 9.033 8.261 ( 3.150 -6.331 0.588) 7.096 8.376 ( -4.437 -9.543 0.359) 10.531 8.906 ( 1.990 14.330 2.572) 14.694 8.964 ( -2.895 8.938 -4.341) 10.350 9.141 ( 0.691 -4.715 -0.065) 4.766 9.240 ( -7.758 -10.786 4.439) 14.008 9.877 ( 14.680 9.870 2.030) 17.805 10.064 ( 12.814 -4.977 -1.310) 13.809 10.197 ( -10.568 7.733 -0.263) 13.098 10.377 ( -12.428 -7.178 -1.220) 14.404 11.480 ( 6.311 8.880 5.752) 12.319 11.572 ( -2.434 9.237 6.260) 11.421 11.683 ( 6.305 -10.946 3.521) 13.113 11.770 ( -1.893 -10.101 2.937) 10.688 12.610 ( 3.743 0.780 -2.955) 4.832 12.648 ( 0.941 -2.373 -1.626) 3.027 12.687 ( -1.174 -1.497 -1.802) 2.621 12.715 ( -3.969 -4.538 -1.691) 6.262 13.638 ( 6.351 5.318 -1.229) 8.374 13.663 ( 10.399 5.730 7.545) 14.068 13.727 ( -3.407 6.942 -0.810) 7.776 13.853 ( -4.852 -4.331 -0.221) 6.508 13.943 ( 1.042 4.529 -1.873) 5.010 14.006 ( -4.984 10.518 3.828) 12.253 14.083 ( 5.876 -3.924 -1.727) 7.273 14.214 ( -5.377 -8.606 3.337) 10.683 15.033 ( 1.141 8.250 1.255) 8.422 15.108 ( -4.794 8.420 -0.603) 9.707 15.219 ( 0.061 -6.451 -0.412) 6.464 15.323 ( -8.679 -8.898 -3.788) 12.994 16.888 ( 9.307 0.865 -24.664) 26.375 16.979 ( 5.965 -6.966 -23.115) 24.868 17.066 ( -7.759 -0.363 -23.811) 25.046 17.100 ( -6.556 -3.147 -22.976) 24.100 20.473 ( 20.924 2.596 24.341) 32.203 20.526 ( 18.010 -2.359 27.379) 32.856 20.908 ( -21.805 2.327 23.532) 32.165 20.941 ( -23.661 -0.736 21.896) 32.247 22.466 ( 8.480 4.929 -8.051) 12.690 22.546 ( 7.376 -2.352 -12.080) 14.348 22.649 ( -8.088 3.206 -8.539) 12.190 22.724 ( -8.770 -3.573 -12.017) 15.299 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 0.000 34.398) 34.398 2.365 ( 0.000 0.000 30.418) 30.418 2.772 ( 0.000 0.000 -20.323) 20.323 2.805 ( 0.000 0.000 -0.495) 0.495 2.948 ( 0.000 0.000 -18.596) 18.596 3.241 ( 0.000 0.000 -5.299) 5.299 3.581 ( 0.000 0.000 -9.668) 9.668 3.880 ( 0.000 0.000 55.795) 55.795 3.949 ( 0.000 0.000 -10.499) 10.499 4.673 ( 0.000 0.000 -17.046) 17.046 4.890 ( 0.000 0.000 15.673) 15.673 4.958 ( 0.000 0.000 -18.002) 18.002 5.205 ( 0.000 0.000 27.947) 27.947 5.523 ( 0.000 0.000 -1.498) 1.498 5.585 ( 0.000 0.000 12.745) 12.745 5.596 ( 0.000 0.000 -0.400) 0.400 5.835 ( 0.000 0.000 31.867) 31.867 5.921 ( 0.000 0.000 17.711) 17.711 6.033 ( 0.000 0.000 -14.809) 14.809 6.481 ( 0.000 0.000 3.693) 3.693 6.522 ( 0.000 0.000 8.956) 8.956 6.787 ( 0.000 0.000 2.938) 2.938 6.819 ( 0.000 0.000 7.166) 7.166 6.862 ( 0.000 0.000 -10.709) 10.709 7.129 ( 0.000 0.000 36.023) 36.023 7.352 ( 0.000 0.000 1.111) 1.111 7.560 ( 0.000 0.000 -5.446) 5.446 7.683 ( 0.000 0.000 -19.700) 19.700 8.031 ( 0.000 0.000 -5.646) 5.646 8.173 ( 0.000 0.000 -6.054) 6.054 8.472 ( 0.000 0.000 -24.005) 24.005 8.610 ( 0.000 0.000 -6.872) 6.872 8.918 ( 0.000 0.000 15.048) 15.048 9.070 ( 0.000 0.000 8.837) 8.837 9.081 ( 0.000 0.000 -2.273) 2.273 9.704 ( 0.000 0.000 -8.008) 8.008 9.977 ( 0.000 0.000 -3.518) 3.518 10.194 ( 0.000 0.000 1.360) 1.360 10.224 ( 0.000 0.000 6.429) 6.429 10.370 ( 0.000 0.000 6.405) 6.405 11.093 ( 0.000 0.000 -8.469) 8.469 11.160 ( 0.000 0.000 -12.366) 12.366 11.599 ( 0.000 0.000 4.247) 4.247 11.849 ( 0.000 0.000 15.000) 15.000 12.064 ( 0.000 0.000 12.034) 12.034 12.176 ( 0.000 0.000 -13.435) 13.435 12.808 ( 0.000 0.000 -16.313) 16.313 12.904 ( 0.000 0.000 -3.120) 3.120 13.358 ( 0.000 0.000 8.664) 8.664 13.458 ( 0.000 0.000 -23.804) 23.804 13.503 ( 0.000 0.000 11.505) 11.505 13.509 ( 0.000 0.000 3.320) 3.320 13.757 ( 0.000 0.000 -19.928) 19.928 14.213 ( 0.000 0.000 10.867) 10.867 14.225 ( 0.000 0.000 -18.644) 18.644 14.958 ( 0.000 0.000 14.051) 14.051 15.051 ( 0.000 0.000 18.453) 18.453 15.272 ( 0.000 0.000 6.714) 6.714 15.558 ( 0.000 0.000 -28.674) 28.674 16.110 ( 0.000 0.000 -19.246) 19.246 16.191 ( 0.000 0.000 10.349) 10.349 16.907 ( 0.000 0.000 1.436) 1.436 16.951 ( 0.000 0.000 -1.522) 1.522 17.298 ( 0.000 0.000 -24.597) 24.597 19.834 ( 0.000 0.000 30.882) 30.882 20.669 ( 0.000 0.000 30.615) 30.615 21.673 ( 0.000 0.000 -4.348) 4.348 21.754 ( 0.000 0.000 -29.493) 29.493 22.548 ( 0.000 0.000 4.200) 4.200 22.583 ( 0.000 0.000 -0.246) 0.246 22.825 ( 0.000 0.000 -8.151) 8.151 22.900 ( 0.000 0.000 -10.645) 10.645 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 1.878 0.000 33.094) 33.148 2.368 ( 1.817 0.000 19.127) 19.213 2.806 ( 2.127 0.000 -7.554) 7.848 2.911 ( 12.360 0.000 -3.515) 12.851 3.149 ( 16.053 0.000 -9.917) 18.870 3.345 ( 9.026 0.000 -9.433) 13.056 3.589 ( 0.589 0.000 -9.461) 9.479 3.931 ( -0.531 0.000 -2.538) 2.593 4.077 ( 15.240 0.000 41.478) 44.189 4.623 ( -2.311 0.000 -6.420) 6.823 4.880 ( -8.209 0.000 -20.423) 22.011 4.953 ( 4.375 0.000 6.861) 8.138 5.086 ( -10.417 0.000 22.945) 25.199 5.399 ( -7.889 0.000 3.645) 8.690 5.567 ( -6.905 0.000 21.884) 22.947 5.580 ( -2.065 0.000 0.591) 2.148 5.662 ( 3.315 0.000 18.546) 18.840 6.008 ( -17.620 0.000 -1.218) 17.662 6.114 ( -8.432 0.000 -10.081) 13.143 6.215 ( 13.302 0.000 17.576) 22.042 6.462 ( -12.709 0.000 0.095) 12.710 6.713 ( -3.528 0.000 20.693) 20.992 6.720 ( -0.672 0.000 9.125) 9.150 7.118 ( 14.866 0.000 -15.553) 21.515 7.325 ( -0.743 0.000 2.061) 2.191 7.402 ( 17.093 0.000 21.246) 27.268 7.601 ( 4.531 0.000 -5.136) 6.849 7.927 ( 17.786 0.000 -5.346) 18.572 8.022 ( 0.398 0.000 -0.798) 0.891 8.203 ( 2.384 0.000 -7.212) 7.596 8.382 ( -8.595 0.000 -15.244) 17.500 8.581 ( -2.497 0.000 -9.700) 10.017 8.738 ( -14.096 0.000 11.596) 18.253 9.128 ( 4.662 0.000 1.381) 4.862 9.135 ( 5.426 0.000 -3.203) 6.301 9.513 ( -15.660 0.000 -7.798) 17.494 9.815 ( -13.394 0.000 -7.319) 15.264 10.108 ( -7.140 0.000 -2.689) 7.630 10.411 ( 12.234 0.000 9.031) 15.206 10.469 ( 6.682 0.000 8.425) 10.753 11.126 ( 3.126 0.000 -5.534) 6.356 11.245 ( 8.483 0.000 -9.828) 12.982 11.571 ( -13.330 0.000 14.656) 19.811 11.673 ( 6.987 0.000 3.399) 7.770 12.112 ( 0.962 0.000 1.852) 2.087 12.505 ( 23.049 0.000 -2.825) 23.221 12.713 ( -7.347 0.000 -14.025) 15.833 12.946 ( 1.858 0.000 -3.764) 4.198 13.314 ( -4.454 0.000 3.663) 5.767 13.482 ( 0.204 0.000 -10.412) 10.414 13.497 ( -0.600 0.000 11.128) 11.144 13.502 ( 1.692 0.000 -8.442) 8.610 13.795 ( 3.692 0.000 -15.170) 15.613 14.127 ( -4.118 0.000 -0.506) 4.149 14.297 ( 2.582 0.000 -7.734) 8.154 14.919 ( -3.679 0.000 13.679) 14.165 15.050 ( -0.020 0.000 17.940) 17.940 15.240 ( -2.982 0.000 6.612) 7.253 15.377 ( -17.072 0.000 -22.073) 27.905 15.934 ( -9.080 0.000 -4.632) 10.193 16.359 ( 8.948 0.000 -10.303) 13.646 16.868 ( -3.467 0.000 0.806) 3.559 16.971 ( 1.374 0.000 -2.877) 3.188 17.227 ( -6.686 0.000 -25.125) 25.999 19.910 ( 7.338 0.000 29.901) 30.788 20.713 ( 4.170 0.000 30.529) 30.813 21.733 ( 5.690 0.000 -4.462) 7.231 21.761 ( 0.310 0.000 -27.796) 27.798 22.414 ( -13.168 0.000 5.789) 14.384 22.435 ( -10.821 0.000 5.499) 12.138 22.800 ( -2.684 0.000 -8.216) 8.644 22.911 ( -1.006 0.000 -13.349) 13.386 ======================= Grid point 137 (48/75) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 12.281 0.000 26.434) 29.148 2.480 ( 9.602 0.000 10.654) 14.343 2.889 ( 5.756 0.000 -7.436) 9.403 3.226 ( 18.298 0.000 12.511) 22.166 3.495 ( 2.457 0.000 -14.829) 15.031 3.506 ( 17.354 0.000 -8.602) 19.369 3.623 ( 4.222 0.000 -5.335) 6.804 3.935 ( 1.773 0.000 -4.657) 4.983 4.238 ( -1.920 0.000 30.051) 30.113 4.631 ( -15.535 0.000 -20.868) 26.016 4.712 ( 7.379 0.000 -5.687) 9.316 4.878 ( -6.544 0.000 17.126) 18.334 5.058 ( 6.747 0.000 13.618) 15.197 5.297 ( -3.650 0.000 6.955) 7.855 5.489 ( 0.863 0.000 20.859) 20.877 5.495 ( -7.487 0.000 5.739) 9.433 5.596 ( -15.528 0.000 6.781) 16.944 5.813 ( 10.609 0.000 12.125) 16.111 5.879 ( -16.242 0.000 -15.216) 22.256 6.276 ( -5.827 0.000 -0.283) 5.834 6.406 ( 7.009 0.000 15.769) 17.257 6.718 ( -0.848 0.000 4.592) 4.670 6.761 ( 7.142 0.000 24.355) 25.380 7.267 ( -3.880 0.000 -0.101) 3.882 7.330 ( 5.963 0.000 -15.824) 16.911 7.664 ( 5.380 0.000 2.669) 6.006 7.712 ( 4.928 0.000 -0.070) 4.928 7.996 ( -10.197 0.000 -1.316) 10.282 8.153 ( -0.584 0.000 -0.956) 1.120 8.256 ( 1.829 0.000 -6.204) 6.468 8.275 ( 5.748 0.000 10.936) 12.354 8.483 ( -5.096 0.000 -1.110) 5.216 8.579 ( 3.898 0.000 -2.825) 4.814 9.077 ( -15.402 0.000 -2.650) 15.628 9.301 ( 1.376 0.000 -2.831) 3.148 9.349 ( 15.571 0.000 -9.947) 18.477 9.486 ( -18.031 0.000 -12.622) 22.010 9.933 ( -9.575 0.000 -4.643) 10.641 10.558 ( 0.078 0.000 9.898) 9.898 10.558 ( 1.530 0.000 5.698) 5.900 11.198 ( 4.236 0.000 4.650) 6.290 11.468 ( 3.320 0.000 12.982) 13.399 11.484 ( 14.369 0.000 -4.537) 15.068 11.851 ( 9.765 0.000 1.900) 9.948 12.168 ( 5.639 0.000 -0.367) 5.651 12.553 ( -7.712 0.000 -12.881) 15.013 12.941 ( -2.702 0.000 -2.873) 3.944 12.946 ( 19.604 0.000 -0.760) 19.619 13.189 ( -6.918 0.000 -4.621) 8.319 13.465 ( -0.091 0.000 2.334) 2.336 13.485 ( -0.393 0.000 9.014) 9.023 13.593 ( 5.931 0.000 -14.959) 16.092 13.879 ( 3.463 0.000 -5.334) 6.359 14.060 ( -2.595 0.000 2.035) 3.298 14.310 ( -1.595 0.000 -8.452) 8.601 14.801 ( -10.697 0.000 10.686) 15.120 14.995 ( -15.053 0.000 -13.812) 20.429 15.044 ( -0.919 0.000 12.409) 12.443 15.173 ( -2.695 0.000 7.583) 8.048 15.756 ( -9.351 0.000 -7.137) 11.763 16.526 ( 7.695 0.000 -15.779) 17.556 16.788 ( -4.095 0.000 -1.201) 4.268 16.981 ( -0.631 0.000 -5.863) 5.896 17.053 ( -9.873 0.000 -25.891) 27.709 20.118 ( 13.033 0.000 27.354) 30.300 20.821 ( 6.210 0.000 29.912) 30.550 21.723 ( -5.690 0.000 -13.802) 14.929 21.882 ( 8.657 0.000 -4.966) 9.980 22.135 ( -18.411 0.000 9.000) 20.494 22.188 ( -6.519 0.000 2.896) 7.133 22.716 ( -5.520 0.000 -8.273) 9.945 22.832 ( -6.548 0.000 -15.410) 16.744 ======================= Grid point 138 (49/75) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 18.094 0.000 18.164) 25.639 2.738 ( 15.188 0.000 7.473) 16.927 3.022 ( 6.753 0.000 -2.679) 7.265 3.466 ( -0.872 0.000 -0.651) 1.088 3.609 ( 8.800 0.000 11.094) 14.160 3.713 ( 1.821 0.000 -9.273) 9.450 3.714 ( 11.393 0.000 -4.059) 12.095 4.042 ( 3.888 0.000 0.232) 3.895 4.151 ( -0.235 0.000 20.602) 20.604 4.304 ( -16.230 0.000 -15.384) 22.363 4.675 ( -7.602 0.000 -13.347) 15.360 4.880 ( 6.127 0.000 11.395) 12.938 5.121 ( -16.326 0.000 -5.632) 17.270 5.195 ( 3.337 0.000 16.528) 16.862 5.241 ( -11.824 0.000 13.634) 18.048 5.452 ( -5.359 0.000 6.403) 8.350 5.641 ( 12.377 0.000 17.348) 21.310 5.691 ( 1.505 0.000 -3.786) 4.075 6.095 ( 16.131 0.000 9.362) 18.651 6.177 ( -4.550 0.000 1.462) 4.779 6.538 ( 6.563 0.000 23.882) 24.767 6.687 ( -0.612 0.000 -1.915) 2.010 6.912 ( 5.898 0.000 17.453) 18.423 7.173 ( -6.843 0.000 -9.773) 11.930 7.316 ( -8.373 0.000 -11.957) 14.597 7.594 ( -11.367 0.000 -10.913) 15.758 7.777 ( 2.258 0.000 4.199) 4.768 7.786 ( -2.662 0.000 6.060) 6.620 8.015 ( -7.720 0.000 -2.095) 7.999 8.279 ( 2.494 0.000 -13.969) 14.190 8.429 ( 3.825 0.000 15.928) 16.381 8.458 ( -0.076 0.000 -9.521) 9.521 8.745 ( -15.505 0.000 3.011) 15.795 8.799 ( 14.416 0.000 1.217) 14.467 9.095 ( -18.273 0.000 -6.263) 19.317 9.456 ( 12.073 0.000 0.406) 12.080 9.585 ( -2.411 0.000 -5.782) 6.265 9.849 ( 9.850 0.000 -8.523) 13.025 10.418 ( -12.249 0.000 9.234) 15.340 10.532 ( -3.940 0.000 0.040) 3.940 11.337 ( 9.098 0.000 11.528) 14.685 11.582 ( 5.124 0.000 13.367) 14.315 11.770 ( 12.870 0.000 -0.985) 12.908 12.014 ( 5.073 0.000 0.637) 5.113 12.354 ( 12.364 0.000 -2.756) 12.667 12.452 ( -1.031 0.000 -10.620) 10.670 12.839 ( -7.031 0.000 -3.880) 8.030 13.003 ( -8.059 0.000 -4.009) 9.001 13.332 ( 14.775 0.000 -2.739) 15.027 13.495 ( 2.502 0.000 6.236) 6.719 13.507 ( 4.713 0.000 4.534) 6.540 13.721 ( 6.363 0.000 -7.754) 10.031 13.885 ( -3.445 0.000 5.549) 6.532 14.009 ( -2.910 0.000 3.582) 4.615 14.218 ( -7.641 0.000 -2.795) 8.136 14.449 ( -19.357 0.000 -3.078) 19.600 14.914 ( 3.418 0.000 -5.174) 6.201 15.029 ( 0.390 0.000 0.185) 0.432 15.146 ( -0.678 0.000 8.946) 8.971 15.546 ( -11.546 0.000 -8.368) 14.259 16.667 ( 6.306 0.000 -16.783) 17.929 16.716 ( -2.893 0.000 -5.086) 5.851 16.862 ( -8.536 0.000 -24.773) 26.202 16.946 ( -2.795 0.000 -9.241) 9.654 20.424 ( 17.322 0.000 24.011) 29.607 20.955 ( 7.112 0.000 28.177) 29.061 21.531 ( -11.747 0.000 9.920) 15.375 21.716 ( -22.481 0.000 12.483) 25.714 22.068 ( 9.315 0.000 -4.970) 10.558 22.179 ( 4.163 0.000 -12.430) 13.109 22.585 ( -7.339 0.000 -7.880) 10.768 22.669 ( -9.197 0.000 -16.566) 18.948 ======================= Grid point 139 (50/75) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 15.421 0.000 12.699) 19.977 3.054 ( 15.636 0.000 5.819) 16.684 3.089 ( -2.710 0.000 5.663) 6.278 3.345 ( -12.143 0.000 7.319) 14.179 3.693 ( 9.555 0.000 -4.235) 10.451 3.726 ( 3.694 0.000 -2.542) 4.484 3.894 ( -10.887 0.000 7.066) 12.978 3.968 ( -14.831 0.000 -6.961) 16.383 4.158 ( 23.229 0.000 10.559) 25.516 4.332 ( 10.028 0.000 -3.131) 10.506 4.509 ( -8.202 0.000 -9.911) 12.865 4.660 ( -25.390 0.000 6.163) 26.127 5.063 ( 9.394 0.000 11.155) 14.583 5.181 ( 2.964 0.000 0.344) 2.984 5.192 ( -3.235 0.000 12.644) 13.051 5.301 ( -7.933 0.000 -3.824) 8.806 5.847 ( 10.539 0.000 8.140) 13.317 5.927 ( 16.351 0.000 12.766) 20.744 6.050 ( -8.726 0.000 6.244) 10.730 6.222 ( -7.925 0.000 12.743) 15.006 6.727 ( 11.232 0.000 13.619) 17.653 6.773 ( 9.865 0.000 -8.235) 12.851 6.925 ( -9.749 0.000 0.068) 9.749 7.048 ( -15.724 0.000 -9.198) 18.217 7.070 ( 9.219 0.000 3.713) 9.939 7.358 ( -14.184 0.000 1.593) 14.273 7.823 ( 2.682 0.000 2.156) 3.441 7.895 ( -4.599 0.000 0.722) 4.656 7.925 ( 15.528 0.000 -3.360) 15.888 8.289 ( -17.510 0.000 -5.880) 18.471 8.361 ( 4.852 0.000 -18.069) 18.709 8.439 ( -2.390 0.000 -15.798) 15.978 8.602 ( 3.315 0.000 15.765) 16.110 8.773 ( -12.922 0.000 5.093) 13.890 9.095 ( 14.698 0.000 1.744) 14.801 9.379 ( -13.266 0.000 -0.335) 13.270 9.772 ( 17.625 0.000 7.489) 19.150 10.121 ( -16.562 0.000 9.160) 18.926 10.154 ( 15.013 0.000 -9.268) 17.643 10.400 ( -9.324 0.000 -5.509) 10.830 11.517 ( 7.818 0.000 14.008) 16.042 11.620 ( -1.785 0.000 14.644) 14.752 11.969 ( 6.563 0.000 0.121) 6.564 12.044 ( -1.338 0.000 -0.287) 1.369 12.518 ( 6.593 0.000 -7.624) 10.079 12.617 ( 12.498 0.000 -6.106) 13.910 12.678 ( -8.550 0.000 -5.622) 10.233 12.833 ( -9.159 0.000 -7.245) 11.678 13.508 ( 6.041 0.000 10.252) 11.899 13.615 ( 0.713 0.000 7.791) 7.823 13.657 ( 9.594 0.000 6.290) 11.472 13.808 ( -0.981 0.000 2.122) 2.338 13.828 ( 5.251 0.000 0.384) 5.265 13.948 ( -0.733 0.000 0.375) 0.823 14.042 ( -8.078 0.000 1.020) 8.142 14.090 ( -16.307 0.000 -5.340) 17.159 15.064 ( 10.500 0.000 -7.564) 12.941 15.068 ( 2.957 0.000 -2.423) 3.823 15.122 ( -2.006 0.000 3.586) 4.109 15.301 ( -12.465 0.000 -8.475) 15.074 16.684 ( 0.052 0.000 -11.737) 11.737 16.728 ( -4.492 0.000 -19.647) 20.154 16.781 ( 5.129 0.000 -15.357) 16.191 16.874 ( -4.174 0.000 -12.572) 13.246 20.809 ( 20.839 0.000 20.408) 29.167 21.110 ( 8.480 0.000 25.227) 26.614 21.253 ( -22.997 0.000 16.643) 28.387 21.301 ( -10.585 0.000 20.367) 22.954 22.253 ( 8.958 0.000 -5.997) 10.780 22.306 ( 7.808 0.000 -16.907) 18.623 22.427 ( -8.313 0.000 -7.022) 10.882 22.480 ( -9.279 0.000 -17.295) 19.627 ======================= Grid point 144 (51/75) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.000 7.133 31.326) 32.128 2.256 ( 0.000 -8.134 29.790) 30.881 2.400 ( 0.000 -18.165 -5.209) 18.897 2.793 ( 0.000 -4.366 9.340) 10.310 3.235 ( 0.000 1.343 -9.933) 10.023 3.286 ( 0.000 12.406 -21.301) 24.650 3.682 ( 0.000 11.453 -13.676) 17.838 3.970 ( 0.000 2.947 1.272) 3.210 4.040 ( 0.000 12.768 32.295) 34.727 4.480 ( 0.000 -10.796 -9.909) 14.655 4.914 ( 0.000 2.626 17.272) 17.471 5.144 ( 0.000 9.779 -11.242) 14.900 5.196 ( 0.000 -0.775 25.933) 25.945 5.501 ( 0.000 -5.054 9.727) 10.962 5.529 ( 0.000 -3.785 5.495) 6.672 5.618 ( 0.000 -10.265 16.735) 19.632 5.711 ( 0.000 6.171 12.662) 14.086 5.907 ( 0.000 -0.730 11.804) 11.826 6.056 ( 0.000 0.150 -19.265) 19.266 6.375 ( 0.000 -10.956 -2.037) 11.144 6.576 ( 0.000 -3.745 8.237) 9.049 6.719 ( 0.000 14.405 13.645) 19.842 6.820 ( 0.000 -1.934 -5.001) 5.362 7.014 ( 0.000 3.523 -2.115) 4.109 7.218 ( 0.000 -4.278 6.592) 7.859 7.264 ( 0.000 7.408 21.124) 22.385 7.523 ( 0.000 -8.775 -16.818) 18.970 7.839 ( 0.000 18.241 -10.415) 21.005 7.882 ( 0.000 -6.061 0.123) 6.062 8.337 ( 0.000 7.179 -3.246) 7.879 8.421 ( 0.000 -11.447 0.701) 11.469 8.622 ( 0.000 4.696 -20.827) 21.350 8.755 ( 0.000 -9.242 12.226) 15.327 9.012 ( 0.000 -4.816 -7.486) 8.902 9.136 ( 0.000 2.188 6.022) 6.407 9.517 ( 0.000 -16.683 -9.808) 19.352 9.976 ( 0.000 1.338 5.228) 5.396 10.173 ( 0.000 -4.074 7.442) 8.484 10.266 ( 0.000 5.051 2.185) 5.503 10.403 ( 0.000 2.121 7.007) 7.321 11.128 ( 0.000 4.633 -6.925) 8.332 11.322 ( 0.000 13.063 -14.215) 19.306 11.533 ( 0.000 -5.826 2.626) 6.390 11.919 ( 0.000 6.340 14.464) 15.792 12.096 ( 0.000 -5.598 -8.160) 9.895 12.125 ( 0.000 2.943 7.528) 8.083 12.802 ( 0.000 -7.647 -2.000) 7.904 12.848 ( 0.000 3.564 -16.202) 16.590 13.165 ( 0.000 -12.870 11.364) 17.169 13.492 ( 0.000 1.081 -19.063) 19.093 13.544 ( 0.000 -12.407 -20.963) 24.359 13.605 ( 0.000 4.237 -2.032) 4.699 13.681 ( 0.000 14.932 10.391) 18.192 14.254 ( 0.000 3.752 11.698) 12.285 14.423 ( 0.000 11.233 -8.471) 14.069 14.849 ( 0.000 -16.785 17.631) 24.343 14.979 ( 0.000 4.872 2.783) 5.611 15.320 ( 0.000 4.255 3.423) 5.461 15.563 ( 0.000 -1.363 -22.990) 23.030 16.032 ( 0.000 -8.704 -23.130) 24.713 16.233 ( 0.000 4.102 10.123) 10.922 16.764 ( 0.000 -11.048 2.568) 11.343 16.990 ( 0.000 2.893 -4.353) 5.227 17.273 ( 0.000 -2.495 -23.822) 23.952 19.895 ( 0.000 5.927 31.528) 32.081 20.551 ( 0.000 -10.453 31.402) 33.096 21.709 ( 0.000 2.987 -7.386) 7.967 21.763 ( 0.000 0.825 -27.630) 27.642 22.570 ( 0.000 2.073 4.287) 4.762 22.652 ( 0.000 3.868 0.645) 3.922 22.853 ( 0.000 3.455 -9.488) 10.097 22.923 ( 0.000 2.023 -10.422) 10.616 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.919 3.654 29.536) 29.823 2.301 ( 5.738 -1.897 15.947) 17.054 2.634 ( 17.025 -13.048 10.116) 23.716 2.905 ( 10.262 -5.550 4.423) 12.477 3.170 ( -0.819 5.099 -8.713) 10.129 3.429 ( 6.959 1.948 -17.474) 18.909 3.716 ( 4.785 14.015 -11.008) 18.453 3.957 ( -0.619 2.266 -2.591) 3.497 4.193 ( 11.160 9.334 29.009) 32.453 4.455 ( -2.046 -11.274 -9.497) 14.883 4.874 ( -2.991 2.454 11.960) 12.571 5.110 ( -8.267 3.064 21.136) 22.901 5.139 ( -0.970 8.127 -5.756) 10.006 5.406 ( -4.477 -1.189 11.947) 12.814 5.434 ( -10.801 -4.926 7.779) 14.193 5.584 ( 2.998 -6.450 15.628) 17.171 5.654 ( -1.968 5.649 2.463) 6.469 6.040 ( -14.871 -6.482 -8.072) 18.120 6.072 ( 1.529 -4.020 6.211) 7.554 6.223 ( -0.515 11.329 4.956) 12.376 6.367 ( -0.858 -14.842 0.488) 14.875 6.760 ( -12.741 3.181 10.053) 16.538 6.789 ( 0.503 8.410 17.559) 19.475 7.088 ( 12.334 1.112 -9.427) 15.564 7.199 ( 2.936 -8.109 -1.319) 8.724 7.502 ( 15.760 4.364 12.595) 20.641 7.695 ( 5.796 0.849 -7.404) 9.441 7.867 ( -1.032 -3.304 1.605) 3.816 7.995 ( 16.392 9.650 -5.580) 19.824 8.364 ( 0.868 4.313 -3.342) 5.525 8.385 ( -3.278 -3.876 -3.259) 6.033 8.571 ( -4.154 5.579 -14.593) 16.166 8.700 ( -9.343 -4.703 11.702) 15.695 8.850 ( -1.735 -11.439 -2.522) 11.842 9.233 ( -1.835 -5.951 -4.015) 7.409 9.416 ( -3.514 -9.851 -10.443) 14.781 9.780 ( -14.132 3.431 2.806) 14.811 10.207 ( -4.255 6.597 -1.089) 7.925 10.327 ( 4.936 -5.992 9.303) 12.116 10.487 ( 9.161 0.090 5.224) 10.547 11.172 ( 3.709 4.665 -4.333) 7.368 11.361 ( 4.334 9.475 -9.383) 14.021 11.606 ( 5.116 -5.233 3.152) 7.968 11.651 ( -9.970 6.126 9.779) 15.250 12.137 ( 1.677 2.331 2.462) 3.783 12.457 ( 20.686 -4.384 0.211) 21.147 12.693 ( -7.138 -2.728 -8.693) 11.574 12.924 ( 4.109 -0.343 -8.151) 9.134 13.137 ( -2.690 -11.350 7.014) 13.611 13.505 ( 0.566 -3.919 -11.013) 11.703 13.534 ( 0.277 0.808 -16.583) 16.604 13.632 ( 0.234 5.151 -1.570) 5.390 13.703 ( 4.059 6.320 1.581) 7.676 14.216 ( -3.264 5.161 9.233) 11.070 14.410 ( -2.027 6.952 -3.802) 8.179 14.825 ( -2.383 -15.954 14.628) 21.776 14.974 ( -0.227 6.484 1.458) 6.650 15.281 ( -3.755 3.653 3.568) 6.338 15.455 ( -10.324 2.978 -18.413) 21.319 15.898 ( -9.307 -4.274 -9.104) 13.703 16.326 ( 6.320 -2.408 -5.665) 8.822 16.742 ( -2.150 -10.817 1.431) 11.121 16.981 ( -0.853 1.391 -5.533) 5.768 17.204 ( -6.546 -2.334 -24.214) 25.192 19.971 ( 7.327 5.928 30.529) 31.951 20.604 ( 4.982 -9.774 31.164) 33.039 21.754 ( 3.444 2.131 -11.198) 11.908 21.786 ( 2.747 1.723 -22.728) 22.959 22.455 ( -10.994 2.146 5.992) 12.703 22.489 ( -13.343 4.874 5.220) 15.133 22.820 ( -3.028 2.368 -8.763) 9.569 22.925 ( -1.754 1.088 -12.732) 12.898 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 13.246 6.594 22.965) 27.319 2.493 ( 13.191 2.734 12.528) 18.396 2.943 ( 10.615 0.862 5.817) 12.135 3.164 ( 15.660 -9.186 -1.218) 18.196 3.245 ( 8.472 -7.655 5.365) 12.615 3.490 ( -0.006 -1.814 -14.138) 14.253 3.850 ( 4.073 10.794 -4.492) 12.381 4.001 ( 7.376 6.689 -8.714) 13.231 4.257 ( -4.211 1.352 22.151) 22.588 4.407 ( -6.993 -12.007 -13.920) 19.668 4.870 ( 1.026 6.323 3.384) 7.244 4.931 ( -6.670 5.117 14.880) 17.090 5.118 ( 0.595 4.981 3.843) 6.319 5.274 ( -4.686 -10.590 15.598) 19.427 5.362 ( -1.928 6.377 7.167) 9.785 5.558 ( -10.583 3.437 0.913) 11.165 5.692 ( -6.936 -3.638 6.736) 10.330 5.718 ( 7.823 -3.824 12.875) 15.543 5.911 ( -9.721 4.682 -6.668) 12.684 6.318 ( 3.126 1.082 2.607) 4.212 6.438 ( 4.895 -1.162 2.821) 5.768 6.678 ( 3.406 -1.980 11.468) 12.126 6.777 ( -0.574 3.449 19.591) 19.901 7.117 ( -3.934 -3.572 5.183) 7.423 7.392 ( 7.518 -5.444 -14.593) 17.296 7.661 ( 0.783 10.208 -0.508) 10.250 7.781 ( -0.311 0.073 4.537) 4.548 7.864 ( 0.505 -8.485 -0.776) 8.535 8.156 ( -5.942 -0.525 -6.886) 9.110 8.317 ( -4.836 3.204 7.564) 9.533 8.343 ( 0.335 -0.431 -4.789) 4.820 8.487 ( -1.895 4.363 -6.358) 7.940 8.651 ( 10.525 7.682 5.386) 14.099 8.932 ( -0.016 -20.081 -9.620) 22.267 9.060 ( -4.646 -3.970 -0.715) 6.153 9.382 ( -9.454 -7.331 -4.953) 12.948 9.570 ( 2.576 9.597 -4.454) 10.890 10.097 ( -6.953 12.258 -5.425) 15.101 10.350 ( -1.601 -11.704 10.104) 15.545 10.638 ( 2.497 0.158 1.960) 3.178 11.243 ( 3.789 4.290 4.679) 7.393 11.483 ( 6.662 3.790 1.802) 7.874 11.583 ( 5.837 5.129 5.485) 9.511 11.779 ( 8.861 -5.928 1.395) 10.752 12.212 ( 6.275 4.477 0.837) 7.754 12.548 ( -6.387 -0.126 -9.426) 11.387 12.772 ( 7.338 -9.220 -0.392) 11.790 13.011 ( 0.516 -10.807 -3.532) 11.381 13.095 ( 5.143 4.877 -1.743) 7.299 13.508 ( 0.896 -0.311 -1.113) 1.462 13.568 ( 1.453 3.452 -5.986) 7.061 13.633 ( 1.779 7.457 -6.756) 10.218 13.819 ( 5.643 -1.476 -3.106) 6.609 14.142 ( -3.847 5.510 6.876) 9.614 14.321 ( -6.669 -0.212 2.972) 7.304 14.732 ( -8.087 -10.892 2.578) 13.808 14.976 ( 0.188 10.197 -0.152) 10.200 15.184 ( -5.620 2.565 3.013) 6.873 15.226 ( -8.888 7.531 -4.285) 12.413 15.711 ( -9.409 -4.328 -7.407) 12.732 16.448 ( 5.562 -6.641 -11.509) 14.404 16.691 ( -2.394 -9.289 -3.207) 10.114 16.952 ( -2.224 -1.713 -8.165) 8.634 17.034 ( -9.688 -1.847 -24.698) 26.595 20.176 ( 12.792 5.665 28.043) 31.339 20.735 ( 7.647 -7.882 30.358) 32.284 21.766 ( -3.320 3.852 -14.535) 15.399 21.902 ( 7.340 1.136 -9.728) 12.239 22.158 ( -17.924 2.207 9.787) 20.541 22.226 ( -9.652 2.720 5.402) 11.391 22.731 ( -5.765 1.608 -8.928) 10.748 22.834 ( -6.979 -0.009 -14.478) 16.072 ======================= Grid point 147 (54/75) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 17.006 6.577 14.430) 23.253 2.814 ( 17.990 7.339 11.587) 22.622 3.069 ( 3.915 4.630 -3.063) 6.793 3.406 ( 3.862 -13.638 -0.889) 14.202 3.435 ( 5.550 -5.761 3.853) 8.879 3.594 ( 16.649 -5.337 5.721) 18.396 3.846 ( -2.318 4.330 -0.665) 4.956 4.062 ( -8.505 0.841 5.960) 10.420 4.171 ( -7.521 -1.625 -4.177) 8.755 4.263 ( 3.204 0.893 -1.071) 3.495 4.726 ( -13.428 4.093 -8.951) 16.649 4.899 ( 3.970 1.352 12.132) 12.836 5.084 ( -13.819 -2.250 -3.231) 14.369 5.215 ( -4.110 -4.559 15.611) 16.775 5.278 ( -1.054 4.724 12.801) 13.686 5.387 ( 0.603 2.162 3.198) 3.907 5.632 ( 1.820 1.733 3.751) 4.516 5.862 ( 4.689 9.224 6.331) 12.131 6.041 ( 19.183 -3.214 5.626) 20.247 6.336 ( -0.862 8.177 -4.896) 9.569 6.575 ( 0.523 3.488 21.419) 21.707 6.646 ( 3.798 0.159 2.963) 4.820 6.888 ( 5.992 -5.810 9.317) 12.509 6.991 ( -7.498 -5.428 0.350) 9.263 7.372 ( -6.946 -12.067 -5.404) 14.935 7.535 ( -15.605 9.636 -9.649) 20.724 7.698 ( -4.522 -5.086 10.421) 12.446 7.863 ( 2.033 0.321 -1.396) 2.487 8.009 ( -5.474 1.880 -10.564) 12.046 8.272 ( 1.339 -1.739 -1.864) 2.879 8.370 ( 0.394 -6.580 -5.707) 8.719 8.440 ( -9.316 -7.841 -7.599) 14.353 8.766 ( 1.555 3.322 3.264) 4.910 8.948 ( 7.385 13.792 7.874) 17.515 8.954 ( -8.956 -4.634 -1.243) 10.160 9.363 ( 9.336 -1.237 4.025) 10.242 9.792 ( 15.467 -3.536 -9.172) 18.326 9.921 ( -9.568 16.383 -4.077) 19.405 10.262 ( -7.430 -10.505 8.035) 15.170 10.577 ( -7.036 0.914 -1.000) 7.165 11.370 ( 8.409 3.264 10.337) 13.719 11.604 ( 4.466 2.485 9.570) 10.849 11.759 ( 9.385 -2.047 1.646) 9.746 11.929 ( 5.135 -7.051 1.206) 8.806 12.385 ( 9.448 3.081 -2.254) 10.190 12.482 ( 1.232 2.930 -7.819) 8.441 12.781 ( -3.919 -5.223 -2.641) 7.044 12.909 ( -6.472 -8.597 -3.977) 11.472 13.348 ( 13.062 2.987 -1.294) 13.461 13.569 ( 5.773 3.542 0.143) 6.775 13.595 ( 3.052 7.608 3.408) 8.877 13.704 ( 3.569 0.691 -7.215) 8.079 13.871 ( -1.062 -1.280 2.454) 2.965 14.060 ( -4.511 3.802 4.875) 7.653 14.177 ( -6.710 -1.963 3.470) 7.805 14.486 ( -15.194 -0.214 -7.074) 16.762 14.962 ( -0.880 6.606 3.959) 7.752 15.120 ( 0.277 4.160 -3.632) 5.529 15.146 ( -0.768 3.538 3.713) 5.186 15.514 ( -10.054 -3.399 -7.275) 12.867 16.535 ( 2.839 -9.413 -9.347) 13.566 16.672 ( 0.968 -6.326 -13.056) 14.540 16.838 ( -8.871 -2.266 -23.516) 25.235 16.895 ( -3.605 -3.757 -11.276) 12.420 20.475 ( 16.787 4.875 24.882) 30.409 20.902 ( 9.000 -5.015 28.634) 30.431 21.588 ( -12.858 5.026 9.440) 16.724 21.734 ( -21.696 1.478 12.762) 25.214 22.082 ( 8.491 1.157 -7.963) 11.698 22.174 ( 3.202 -0.641 -10.744) 11.229 22.596 ( -7.440 1.054 -9.084) 11.789 22.665 ( -9.372 -0.446 -15.704) 18.293 ======================= Grid point 148 (55/75) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 12.944 3.600 8.511) 15.904 3.092 ( -3.319 1.503 2.839) 4.619 3.166 ( 15.236 9.324 10.264) 20.601 3.378 ( -5.564 0.627 5.728) 8.010 3.577 ( 8.729 -7.709 -4.379) 12.441 3.738 ( -3.666 -1.865 -4.192) 5.873 3.813 ( -2.412 -5.475 11.548) 13.006 3.964 ( -10.377 -2.290 7.664) 13.102 4.118 ( 17.672 -1.100 5.304) 18.484 4.351 ( 6.425 -0.349 -1.797) 6.681 4.445 ( -13.255 -2.927 -4.023) 14.158 4.648 ( -22.187 -2.504 0.116) 22.328 5.077 ( 9.457 2.345 11.484) 15.061 5.218 ( -3.187 3.064 11.674) 12.483 5.258 ( 3.380 4.352 1.699) 5.767 5.357 ( -4.423 3.522 -0.687) 5.696 5.837 ( 15.614 4.257 4.846) 16.894 6.000 ( 6.111 5.849 6.715) 10.800 6.226 ( -7.385 13.836 6.172) 16.855 6.283 ( -1.443 5.119 9.753) 11.109 6.592 ( 5.167 -8.595 2.156) 10.258 6.666 ( -4.859 -8.603 -7.140) 12.191 6.923 ( 3.180 -5.740 -5.406) 8.502 7.033 ( 11.282 2.092 13.652) 17.834 7.157 ( -15.809 -0.358 -5.449) 16.726 7.273 ( -7.925 -1.063 3.113) 8.581 7.696 ( 6.884 -12.160 4.116) 14.567 7.873 ( -4.722 -2.498 -1.940) 5.683 7.950 ( 1.647 4.483 -5.587) 7.350 8.114 ( -15.445 -13.705 -9.487) 22.724 8.339 ( 3.886 -2.972 -11.606) 12.595 8.392 ( -0.895 -4.690 -13.816) 14.618 8.764 ( 0.375 12.950 12.586) 18.062 8.825 ( -4.888 7.927 10.563) 14.082 9.190 ( 15.074 6.606 3.282) 16.782 9.456 ( -7.203 2.226 3.771) 8.430 9.829 ( 6.832 6.436 3.086) 9.880 10.058 ( -12.192 -4.030 6.644) 14.458 10.126 ( 15.469 -2.819 -7.960) 17.624 10.394 ( -11.087 -1.207 -4.770) 12.130 11.537 ( 7.228 2.111 11.968) 14.140 11.633 ( -1.864 1.714 11.962) 12.227 11.915 ( 5.529 -5.407 1.628) 7.903 11.974 ( -0.414 -6.140 1.216) 6.272 12.517 ( 6.004 0.489 -5.485) 8.147 12.616 ( 5.512 -0.218 -4.705) 7.250 12.670 ( -3.606 -0.769 -4.824) 6.072 12.784 ( -6.287 -4.676 -5.450) 9.544 13.530 ( 6.511 2.425 3.736) 7.889 13.665 ( -5.155 3.365 7.416) 9.639 13.730 ( 7.084 4.209 8.826) 12.075 13.756 ( 8.897 3.761 -4.208) 10.536 13.872 ( 3.310 -0.422 -1.174) 3.537 13.972 ( -4.009 -0.800 -0.101) 4.089 14.048 ( -4.898 3.561 3.021) 6.768 14.174 ( -14.546 5.179 -6.804) 16.873 14.999 ( 4.459 0.080 -0.146) 4.462 15.090 ( -3.336 -1.162 2.397) 4.269 15.200 ( 4.625 6.057 -3.964) 8.590 15.325 ( -8.116 0.505 -4.773) 9.429 16.583 ( 2.877 -7.570 -12.573) 14.956 16.668 ( -5.033 -4.524 -19.866) 20.987 16.741 ( 2.577 -5.041 -16.394) 17.344 16.817 ( -4.076 -5.115 -14.182) 15.618 20.847 ( 20.062 3.588 21.453) 29.591 21.098 ( 10.584 -1.432 25.625) 27.762 21.270 ( -21.033 2.008 18.107) 27.826 21.339 ( -13.846 2.600 20.137) 24.576 22.255 ( 8.391 0.373 -8.451) 11.915 22.287 ( 6.833 -1.192 -15.780) 17.237 22.441 ( -7.466 0.877 -9.138) 11.833 22.475 ( -9.020 -0.583 -16.753) 19.036 ======================= Grid point 153 (56/75) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 0.000 -3.583 26.727) 26.966 2.148 ( 0.000 -6.538 14.504) 15.909 2.353 ( 0.000 12.005 24.999) 27.732 2.608 ( 0.000 -12.392 19.944) 23.480 3.306 ( 0.000 4.538 -16.626) 17.234 3.373 ( 0.000 -1.059 -17.368) 17.400 3.933 ( 0.000 8.740 -20.049) 21.871 4.006 ( 0.000 0.014 -11.667) 11.667 4.300 ( 0.000 9.005 22.840) 24.551 4.361 ( 0.000 -1.005 9.000) 9.056 5.015 ( 0.000 8.465 21.074) 22.711 5.197 ( 0.000 2.443 21.463) 21.602 5.214 ( 0.000 -5.310 6.410) 8.324 5.332 ( 0.000 -10.328 16.948) 19.847 5.421 ( 0.000 -3.041 9.158) 9.650 5.450 ( 0.000 -4.473 11.461) 12.303 5.890 ( 0.000 6.954 9.825) 12.037 5.914 ( 0.000 1.125 -1.952) 2.253 6.039 ( 0.000 0.645 -14.816) 14.830 6.165 ( 0.000 -9.042 8.379) 12.328 6.675 ( 0.000 12.914 -19.178) 23.121 6.814 ( 0.000 2.225 6.597) 6.962 6.928 ( 0.000 -6.810 3.162) 7.508 7.008 ( 0.000 12.105 -2.584) 12.378 7.041 ( 0.000 -18.541 -20.242) 27.450 7.196 ( 0.000 -4.144 0.577) 4.183 7.742 ( 0.000 19.560 18.638) 27.018 7.834 ( 0.000 4.615 12.114) 12.963 8.121 ( 0.000 -14.554 13.697) 19.986 8.189 ( 0.000 -9.536 7.347) 12.038 8.276 ( 0.000 12.394 -8.385) 14.964 8.588 ( 0.000 -10.675 -21.639) 24.129 8.806 ( 0.000 12.659 -5.573) 13.831 9.001 ( 0.000 3.391 -8.251) 8.920 9.120 ( 0.000 -3.595 -0.252) 3.604 9.147 ( 0.000 -17.195 -7.214) 18.647 10.020 ( 0.000 2.815 10.964) 11.320 10.088 ( 0.000 -3.967 9.899) 10.665 10.363 ( 0.000 4.233 5.027) 6.572 10.419 ( 0.000 -0.979 7.205) 7.271 11.254 ( 0.000 7.121 -4.686) 8.525 11.398 ( 0.000 -7.124 -1.059) 7.202 11.615 ( 0.000 15.056 -14.563) 20.947 11.897 ( 0.000 -12.483 -13.643) 18.492 12.072 ( 0.000 8.005 13.632) 15.809 12.180 ( 0.000 -0.961 13.942) 13.975 12.703 ( 0.000 0.387 0.732) 0.828 12.829 ( 0.000 -8.923 2.019) 9.149 13.048 ( 0.000 5.852 -9.388) 11.063 13.250 ( 0.000 -12.672 -16.373) 20.704 13.583 ( 0.000 3.994 -16.546) 17.021 13.638 ( 0.000 -0.893 -9.308) 9.351 14.034 ( 0.000 18.820 12.892) 22.812 14.322 ( 0.000 -1.359 13.501) 13.569 14.498 ( 0.000 -2.525 11.796) 12.063 14.503 ( 0.000 -12.576 16.043) 20.384 15.243 ( 0.000 18.585 -16.727) 25.004 15.433 ( 0.000 7.845 -8.907) 11.869 15.484 ( 0.000 -6.225 -12.717) 14.159 15.742 ( 0.000 -19.154 -27.590) 33.587 16.351 ( 0.000 7.533 9.145) 11.848 16.533 ( 0.000 -10.695 6.622) 12.579 17.082 ( 0.000 5.833 -13.352) 14.571 17.197 ( 0.000 -5.056 -20.578) 21.191 20.064 ( 0.000 10.646 32.565) 34.261 20.306 ( 0.000 -12.874 32.557) 35.010 21.763 ( 0.000 1.867 -14.653) 14.771 21.777 ( 0.000 0.256 -22.313) 22.314 22.622 ( 0.000 2.833 4.026) 4.923 22.670 ( 0.000 -1.440 2.695) 3.056 22.940 ( 0.000 3.418 -10.331) 10.882 22.961 ( 0.000 1.050 -10.163) 10.217 ======================= Grid point 154 (57/75) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 9.617 4.491 21.513) 23.989 2.328 ( 12.269 -5.619 14.603) 19.884 2.464 ( 12.006 5.688 25.368) 28.636 2.697 ( 8.204 -12.930 19.487) 24.784 3.304 ( 0.086 6.622 -15.366) 16.733 3.408 ( 2.250 -3.354 -16.815) 17.293 3.991 ( 5.533 7.707 -17.062) 19.522 4.008 ( -0.585 2.661 -4.680) 5.415 4.296 ( -1.339 -0.338 3.108) 3.401 4.336 ( -0.693 0.458 15.213) 15.236 4.972 ( -2.832 7.469 15.498) 17.436 5.111 ( -5.399 -3.669 16.081) 17.356 5.215 ( -0.252 2.095 15.292) 15.437 5.326 ( -1.656 -8.288 12.892) 15.415 5.466 ( 6.034 7.757 9.656) 13.778 5.559 ( -1.242 3.554 4.919) 6.195 5.730 ( -6.071 -0.051 1.594) 6.277 5.857 ( -14.522 -10.444 -10.245) 20.613 5.991 ( 2.413 -0.581 6.951) 7.381 6.088 ( -1.607 -9.151 7.344) 11.843 6.528 ( -7.354 15.865 -7.970) 19.217 6.745 ( -11.304 -4.014 3.893) 12.611 6.864 ( 0.467 1.087 9.124) 9.200 7.000 ( 1.095 -11.372 2.573) 11.710 7.279 ( 15.703 11.633 -11.452) 22.651 7.424 ( 19.290 -5.295 -11.565) 23.106 7.825 ( -1.353 3.994 12.178) 12.887 7.936 ( 5.808 18.477 8.046) 20.974 8.056 ( -0.665 -16.312 9.777) 19.029 8.286 ( 0.623 4.085 -4.302) 5.966 8.381 ( 12.933 -8.561 1.930) 15.630 8.545 ( 0.024 -4.408 -12.242) 13.011 8.699 ( -11.932 10.067 -2.551) 15.818 8.897 ( -5.115 11.514 -2.961) 12.942 8.986 ( -9.623 -15.497 -4.833) 18.872 9.157 ( -0.374 -13.810 -5.791) 14.979 9.952 ( -5.427 10.625 6.126) 13.411 10.154 ( -0.193 -9.009 6.948) 11.379 10.359 ( 0.535 6.081 2.820) 6.724 10.457 ( 5.436 -3.250 3.661) 7.316 11.293 ( 3.280 6.815 -2.292) 7.903 11.431 ( 3.154 -6.082 -0.514) 6.871 11.613 ( 0.107 8.936 -6.714) 11.177 11.734 ( -7.061 -0.666 -0.458) 7.107 12.206 ( 6.541 5.170 5.644) 10.068 12.342 ( 13.077 -7.043 5.855) 15.965 12.664 ( -3.265 2.517 -1.179) 4.288 12.810 ( -1.793 -10.396 2.323) 10.802 13.099 ( 4.914 7.313 -9.774) 13.159 13.297 ( 4.353 -11.437 -13.385) 18.136 13.598 ( 1.360 3.541 -16.088) 16.529 13.649 ( 1.212 -1.081 -10.431) 10.557 14.020 ( -1.382 18.220 12.711) 22.259 14.298 ( -2.539 -1.118 12.568) 12.871 14.424 ( -5.605 -3.936 13.819) 15.424 14.507 ( -0.671 -11.079 13.853) 17.751 15.253 ( 0.799 17.119 -14.972) 22.756 15.382 ( -4.618 7.352 -8.002) 11.807 15.438 ( -4.854 -3.535 -12.904) 14.233 15.698 ( -4.255 -16.254 -22.082) 27.747 16.340 ( -0.496 5.017 4.699) 6.891 16.508 ( -2.187 -10.977 4.892) 12.216 17.042 ( -3.683 4.397 -13.804) 14.948 17.135 ( -5.749 -4.357 -20.789) 22.005 20.138 ( 7.087 10.429 31.643) 34.063 20.372 ( 6.281 -12.316 31.945) 34.809 21.798 ( 2.979 1.701 -17.050) 17.392 21.811 ( 3.472 0.470 -19.181) 19.498 22.506 ( -11.108 2.550 6.032) 12.895 22.539 ( -12.072 -0.169 5.478) 13.258 22.890 ( -4.176 3.692 -9.765) 11.243 22.935 ( -3.441 -0.599 -11.252) 11.782 ======================= Grid point 155 (58/75) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 16.550 11.346 14.484) 24.747 2.600 ( 16.109 5.174 14.323) 22.168 2.812 ( 20.072 -8.907 18.472) 28.696 2.902 ( 11.573 -12.025 20.350) 26.319 3.302 ( -0.456 6.926 -12.297) 14.120 3.429 ( -0.226 -4.808 -14.773) 15.537 3.978 ( -2.330 4.722 2.986) 6.053 4.106 ( 1.908 -6.111 -7.462) 9.832 4.246 ( 0.048 6.893 -0.913) 6.954 4.330 ( -2.559 0.217 1.805) 3.139 4.923 ( -2.950 2.504 13.513) 14.056 5.021 ( -2.384 -4.218 18.609) 19.229 5.167 ( -11.676 4.774 -4.822) 13.505 5.209 ( -2.570 2.885 2.052) 4.375 5.485 ( -5.786 -1.965 6.027) 8.583 5.518 ( -7.799 -7.196 2.812) 10.978 5.605 ( 5.677 9.182 10.205) 14.855 5.746 ( 4.022 0.772 6.028) 7.287 5.999 ( -1.846 3.032 2.070) 4.109 6.146 ( 4.168 -12.475 -3.659) 13.652 6.502 ( 6.091 6.900 5.501) 10.723 6.624 ( 2.059 -4.289 10.648) 11.663 6.864 ( -1.728 5.347 14.523) 15.572 7.033 ( 0.347 -9.447 6.505) 11.475 7.493 ( -0.273 18.807 -11.483) 22.037 7.729 ( 4.531 -3.884 -0.442) 5.984 7.746 ( -2.386 -0.938 7.539) 7.963 7.910 ( 0.780 2.914 -7.557) 8.136 8.001 ( -9.110 -6.661 -4.326) 12.086 8.217 ( -3.596 -10.492 -8.561) 14.011 8.403 ( -12.626 4.128 3.984) 13.868 8.515 ( -10.652 -9.243 0.161) 14.103 8.692 ( 9.473 10.176 -1.994) 14.045 8.876 ( 10.956 -1.059 -0.652) 11.026 8.969 ( 5.951 4.138 -0.531) 7.268 9.190 ( 7.084 -11.369 -4.600) 14.163 9.791 ( -9.152 12.448 4.254) 16.025 10.057 ( -7.645 -13.334 10.004) 18.339 10.383 ( 0.407 11.435 -5.594) 12.736 10.571 ( 2.896 -6.656 -2.759) 7.765 11.362 ( 3.830 7.375 4.255) 9.337 11.516 ( 5.098 -5.970 2.636) 8.281 11.631 ( 2.592 4.502 3.246) 6.126 11.710 ( 3.523 -1.831 0.307) 3.982 12.350 ( 7.460 8.984 2.287) 11.899 12.535 ( 3.335 -6.271 -0.613) 7.129 12.621 ( 1.217 0.434 -1.529) 2.002 12.766 ( -2.225 -11.068 -0.168) 11.291 13.241 ( 9.080 8.338 -7.284) 14.318 13.408 ( 6.434 -7.713 -7.290) 12.411 13.634 ( 2.241 3.443 -13.560) 14.169 13.694 ( 3.397 -1.924 -12.818) 13.400 13.981 ( -2.600 14.379 11.327) 18.488 14.210 ( -6.643 -4.497 10.307) 13.061 14.305 ( -4.898 3.865 12.647) 14.102 14.481 ( -2.257 -12.086 10.984) 16.487 15.238 ( -4.913 4.426 -4.124) 7.793 15.284 ( -5.004 13.590 -13.029) 19.480 15.306 ( -4.600 2.229 -7.766) 9.297 15.579 ( -7.279 -9.990 -11.553) 16.919 16.350 ( 1.583 -0.330 -3.869) 4.194 16.469 ( -0.956 -10.640 -1.938) 10.857 16.946 ( -5.720 1.146 -15.267) 16.344 16.987 ( -8.476 -2.546 -21.212) 22.984 20.333 ( 11.914 9.551 29.500) 33.218 20.541 ( 10.123 -10.625 30.501) 33.848 21.850 ( 0.619 3.887 -15.400) 15.895 21.904 ( 4.342 -1.237 -14.113) 14.817 22.213 ( -16.235 2.864 9.381) 18.968 22.252 ( -13.678 -0.543 7.919) 15.814 22.779 ( -6.832 2.760 -10.267) 12.638 22.822 ( -7.476 -1.345 -12.337) 14.488 ======================= Grid point 156 (59/75) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 14.528 11.458 7.197) 19.853 2.986 ( 20.399 3.921 9.637) 22.899 3.104 ( 9.396 -6.328 14.556) 18.444 3.199 ( 12.060 1.136 4.850) 13.048 3.312 ( 3.796 -3.333 3.639) 6.225 3.447 ( 5.086 -9.282 -3.924) 11.288 3.894 ( -6.178 3.267 3.814) 7.962 4.019 ( -7.196 -8.568 3.026) 11.591 4.185 ( -6.769 8.925 1.437) 11.293 4.310 ( -1.183 -1.612 -0.308) 2.023 4.829 ( -14.831 6.703 -4.108) 16.786 4.945 ( -3.649 2.185 1.375) 4.469 5.000 ( -10.089 -4.898 7.757) 13.636 5.079 ( 4.505 -6.704 10.228) 13.033 5.381 ( -0.796 5.727 12.539) 13.808 5.473 ( -2.848 -1.009 5.776) 6.519 5.738 ( 9.950 11.657 1.464) 15.396 5.975 ( 15.942 -7.301 -0.095) 17.534 6.023 ( 5.703 8.857 -0.688) 10.557 6.235 ( 5.916 -11.328 -4.632) 13.594 6.678 ( 3.276 2.005 4.031) 5.568 6.737 ( 5.510 -2.516 10.917) 12.485 6.798 ( -1.503 8.667 13.860) 16.416 6.967 ( -6.330 -4.902 1.762) 8.198 7.272 ( -13.479 9.567 -0.174) 16.530 7.539 ( -15.458 -9.926 9.665) 20.758 7.696 ( -10.720 5.271 -0.643) 11.963 7.879 ( -2.821 -6.403 -10.653) 12.745 7.987 ( 4.681 0.738 -16.563) 17.227 8.132 ( -7.868 -9.857 -5.427) 13.730 8.237 ( -4.696 -0.046 3.128) 5.642 8.287 ( -3.458 -4.740 -6.096) 8.460 8.886 ( 9.904 5.629 2.426) 11.647 8.941 ( 1.693 -0.109 2.026) 2.642 9.253 ( 9.949 13.062 7.454) 18.032 9.372 ( 6.078 0.454 2.290) 6.511 9.719 ( 7.140 0.102 -1.465) 7.290 9.898 ( -6.566 -14.022 12.349) 19.805 10.330 ( -6.020 12.855 -7.330) 15.976 10.528 ( -6.793 -6.148 -4.243) 10.097 11.472 ( 6.942 6.908 7.881) 12.570 11.630 ( 6.106 -6.717 4.349) 10.066 11.701 ( 3.108 3.307 6.056) 7.568 11.801 ( 4.056 -5.364 1.654) 6.925 12.480 ( 4.727 6.320 -0.970) 7.952 12.561 ( 2.507 3.626 -3.086) 5.381 12.654 ( 0.283 -5.750 -1.379) 5.920 12.725 ( -2.274 -8.310 -3.134) 9.168 13.445 ( 10.255 5.857 -2.973) 12.178 13.554 ( 8.140 -4.380 -2.085) 9.476 13.697 ( 4.378 4.776 -11.128) 12.876 13.781 ( 5.118 -1.871 -10.039) 11.423 13.906 ( -4.702 8.717 8.436) 13.011 14.055 ( -7.524 -4.513 6.481) 10.907 14.233 ( -3.407 6.880 8.308) 11.312 14.392 ( -7.181 -7.822 2.644) 10.942 15.112 ( -5.368 5.102 -0.560) 7.427 15.165 ( -3.515 1.732 -0.330) 3.932 15.283 ( -1.435 7.228 -3.956) 8.364 15.421 ( -8.034 -5.372 -4.877) 10.825 16.396 ( 3.091 -1.870 -9.294) 9.971 16.491 ( 3.127 -9.509 -12.493) 16.009 16.801 ( -8.732 -0.324 -20.913) 22.665 16.830 ( -6.601 -2.682 -17.406) 18.807 20.607 ( 15.196 7.814 26.846) 31.822 20.769 ( 12.478 -7.837 28.466) 32.053 21.694 ( -15.738 4.595 10.348) 19.387 21.749 ( -19.130 -0.715 12.409) 22.813 22.111 ( 6.160 1.836 -11.439) 13.121 22.150 ( 3.443 -1.727 -10.245) 10.945 22.623 ( -8.409 1.498 -11.270) 14.141 22.650 ( -9.366 -1.056 -13.548) 16.504 ======================= Grid point 157 (60/75) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 10.297 8.833 3.935) 14.126 3.172 ( -1.410 4.916 0.237) 5.119 3.268 ( 4.726 -7.872 -1.645) 9.328 3.325 ( 0.159 -0.776 3.691) 3.775 3.484 ( 15.830 3.373 10.072) 19.063 3.657 ( 8.908 -8.357 17.498) 21.340 3.753 ( -6.748 3.007 5.973) 9.500 3.865 ( -8.585 -6.471 12.196) 16.258 4.167 ( 8.479 5.505 1.429) 10.209 4.290 ( 3.705 -5.497 0.532) 6.650 4.459 ( -18.124 3.933 -1.598) 18.614 4.562 ( -20.730 -5.460 -0.793) 21.452 5.155 ( 10.589 4.902 9.774) 15.221 5.243 ( 8.511 -2.806 7.033) 11.392 5.325 ( -5.230 4.509 10.470) 12.542 5.392 ( -5.423 -1.066 4.936) 7.410 6.038 ( 17.457 13.358 -1.571) 22.037 6.162 ( 7.926 9.760 2.621) 12.843 6.287 ( 10.032 -6.872 -0.111) 12.160 6.403 ( 6.841 -9.960 -2.297) 12.299 6.521 ( -9.308 10.655 2.880) 14.439 6.624 ( -13.916 8.015 -6.891) 17.475 6.733 ( -3.166 -9.063 -3.979) 10.392 6.908 ( -9.304 -12.913 -3.351) 16.265 7.200 ( 8.123 7.606 9.743) 14.791 7.341 ( -0.543 -0.325 5.725) 5.760 7.481 ( -6.834 -3.921 6.505) 10.217 7.646 ( -16.157 -15.268 -3.259) 22.467 8.057 ( 2.257 6.122 -6.197) 8.998 8.076 ( 0.550 7.182 -10.327) 12.590 8.230 ( 1.553 -7.072 -5.500) 9.092 8.260 ( -1.065 -7.797 -12.364) 14.655 8.993 ( 5.431 10.742 8.651) 14.823 9.089 ( 2.854 10.709 14.248) 18.051 9.233 ( 1.324 -0.182 10.071) 10.159 9.405 ( -7.302 -7.655 9.523) 14.235 9.909 ( 10.078 2.982 1.751) 10.655 10.016 ( 15.562 -5.613 -3.739) 16.961 10.153 ( -10.538 9.543 -4.618) 14.948 10.325 ( -12.934 -6.164 -4.357) 14.976 11.614 ( 6.438 5.802 8.095) 11.860 11.701 ( -1.487 4.829 6.844) 8.508 11.767 ( 4.942 -8.040 5.048) 10.703 11.835 ( -1.027 -7.173 3.471) 8.034 12.557 ( 3.737 3.565 -2.732) 5.843 12.613 ( 0.358 -0.124 -2.291) 2.322 12.646 ( -0.231 -1.375 -3.006) 3.314 12.672 ( -2.258 -5.328 -3.331) 6.677 13.615 ( 6.677 5.599 -0.063) 8.714 13.707 ( 2.973 0.001 -0.597) 3.032 13.755 ( 0.636 -0.023 1.134) 1.300 13.839 ( -1.152 -3.689 -1.819) 4.271 13.915 ( 7.459 7.261 -1.264) 10.486 13.967 ( 1.933 2.558 -2.020) 3.789 14.130 ( -6.240 3.053 2.608) 7.421 14.199 ( -10.891 -2.820 -4.866) 12.257 15.076 ( 1.847 6.524 2.473) 7.217 15.132 ( -1.581 4.830 4.182) 6.582 15.240 ( -1.371 -2.995 1.881) 3.793 15.283 ( -4.961 -4.087 -0.218) 6.431 16.485 ( 5.844 -0.143 -15.746) 16.796 16.578 ( 4.578 -6.970 -17.632) 19.505 16.632 ( -7.266 -0.534 -19.688) 20.993 16.701 ( -6.248 -5.701 -17.887) 19.786 20.941 ( 18.033 5.398 23.708) 30.272 21.042 ( 14.785 -4.188 25.486) 29.761 21.326 ( -19.795 2.994 19.796) 28.154 21.366 ( -17.455 -0.423 20.620) 27.019 22.268 ( 8.510 0.699 -13.674) 16.121 22.276 ( 7.678 -0.085 -14.006) 15.973 22.450 ( -8.525 0.134 -12.239) 14.916 22.458 ( -9.330 -0.803 -14.807) 17.520 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 0.000 0.000 -0.903) 0.903 2.494 ( 0.000 0.000 -7.156) 7.156 2.756 ( 0.000 0.000 8.248) 8.248 2.803 ( 0.000 0.000 -0.008) 0.008 2.880 ( 0.000 0.000 20.909) 20.909 3.312 ( 0.000 0.000 14.194) 14.194 3.316 ( 0.000 0.000 -18.634) 18.634 3.660 ( 0.000 0.000 -18.263) 18.263 4.446 ( 0.000 0.000 -4.182) 4.182 4.565 ( 0.000 0.000 -16.364) 16.364 4.844 ( 0.000 0.000 43.366) 43.366 5.215 ( 0.000 0.000 17.005) 17.005 5.444 ( 0.000 0.000 -15.057) 15.057 5.609 ( 0.000 0.000 -26.689) 26.689 5.625 ( 0.000 0.000 7.386) 7.386 5.709 ( 0.000 0.000 0.151) 0.151 5.729 ( 0.000 0.000 26.528) 26.528 6.235 ( 0.000 0.000 -25.575) 25.575 6.263 ( 0.000 0.000 15.870) 15.870 6.477 ( 0.000 0.000 -5.396) 5.396 6.488 ( 0.000 0.000 34.511) 34.511 6.861 ( 0.000 0.000 3.927) 3.927 6.903 ( 0.000 0.000 0.702) 0.702 7.059 ( 0.000 0.000 -10.807) 10.807 7.355 ( 0.000 0.000 12.387) 12.387 7.376 ( 0.000 0.000 2.269) 2.269 7.448 ( 0.000 0.000 -5.168) 5.168 7.761 ( 0.000 0.000 21.283) 21.283 7.953 ( 0.000 0.000 -21.598) 21.598 7.981 ( 0.000 0.000 0.942) 0.942 8.055 ( 0.000 0.000 -5.794) 5.794 8.315 ( 0.000 0.000 -21.968) 21.968 9.132 ( 0.000 0.000 6.754) 6.754 9.177 ( 0.000 0.000 1.890) 1.890 9.215 ( 0.000 0.000 13.024) 13.024 9.489 ( 0.000 0.000 -13.837) 13.837 10.012 ( 0.000 0.000 6.390) 6.390 10.150 ( 0.000 0.000 -5.899) 5.899 10.348 ( 0.000 0.000 5.502) 5.502 10.415 ( 0.000 0.000 -1.057) 1.057 10.968 ( 0.000 0.000 -3.691) 3.691 10.978 ( 0.000 0.000 -5.230) 5.230 11.730 ( 0.000 0.000 8.754) 8.754 11.927 ( 0.000 0.000 -11.742) 11.742 12.163 ( 0.000 0.000 16.928) 16.928 12.353 ( 0.000 0.000 17.732) 17.732 12.490 ( 0.000 0.000 -16.737) 16.737 12.719 ( 0.000 0.000 -17.925) 17.925 13.200 ( 0.000 0.000 1.350) 1.350 13.393 ( 0.000 0.000 -15.861) 15.861 13.492 ( 0.000 0.000 4.964) 4.964 13.543 ( 0.000 0.000 -0.307) 0.307 13.727 ( 0.000 0.000 11.208) 11.208 13.948 ( 0.000 0.000 -12.011) 12.011 14.507 ( 0.000 0.000 20.074) 20.074 14.983 ( 0.000 0.000 -28.566) 28.566 15.209 ( 0.000 0.000 10.419) 10.419 15.326 ( 0.000 0.000 -1.462) 1.462 15.413 ( 0.000 0.000 18.742) 18.742 15.765 ( 0.000 0.000 -17.698) 17.698 16.443 ( 0.000 0.000 16.363) 16.363 16.827 ( 0.000 0.000 -23.018) 23.018 16.929 ( 0.000 0.000 0.751) 0.751 16.938 ( 0.000 0.000 -0.305) 0.305 20.463 ( 0.000 0.000 33.960) 33.960 21.128 ( 0.000 0.000 -34.328) 34.328 21.185 ( 0.000 0.000 22.401) 22.401 21.520 ( 0.000 0.000 -12.248) 12.248 22.599 ( 0.000 0.000 2.245) 2.245 22.627 ( 0.000 0.000 4.363) 4.363 22.680 ( 0.000 0.000 -6.216) 6.216 22.732 ( 0.000 0.000 -6.880) 6.880 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 1.895 0.000 0.237) 1.909 2.522 ( 3.895 0.000 1.727) 4.261 2.751 ( 0.001 0.000 12.369) 12.369 2.923 ( 12.932 0.000 -2.603) 13.191 3.097 ( 15.528 0.000 5.974) 16.638 3.351 ( 3.838 0.000 -12.097) 12.691 3.391 ( 7.629 0.000 11.336) 13.664 3.703 ( 3.835 0.000 -15.224) 15.699 4.421 ( -1.566 0.000 -6.865) 7.042 4.489 ( -7.060 0.000 -14.526) 16.150 4.891 ( 1.882 0.000 35.699) 35.749 5.248 ( 4.162 0.000 18.257) 18.725 5.394 ( -5.382 0.000 -16.133) 17.007 5.508 ( -1.098 0.000 -1.892) 2.188 5.518 ( -15.120 0.000 20.777) 25.696 5.752 ( 3.811 0.000 3.432) 5.129 5.769 ( -0.719 0.000 -13.227) 13.247 5.940 ( -11.790 0.000 -13.387) 17.839 6.126 ( -14.187 0.000 22.447) 26.555 6.427 ( -23.199 0.000 -7.543) 24.394 6.524 ( 7.498 0.000 12.350) 14.448 6.724 ( 11.162 0.000 -10.726) 15.480 7.082 ( 12.037 0.000 18.411) 21.997 7.161 ( 1.904 0.000 17.349) 17.453 7.352 ( -2.250 0.000 1.125) 2.516 7.444 ( 5.095 0.000 -11.133) 12.243 7.737 ( 19.301 0.000 -7.613) 20.749 7.783 ( -6.690 0.000 9.636) 11.731 8.008 ( 7.391 0.000 -15.291) 16.984 8.064 ( 1.164 0.000 -7.427) 7.517 8.081 ( 13.296 0.000 8.943) 16.024 8.348 ( 4.857 0.000 -14.435) 15.230 8.994 ( -11.734 0.000 13.196) 17.658 9.147 ( -1.994 0.000 -1.609) 2.562 9.154 ( -4.579 0.000 4.586) 6.481 9.326 ( -14.394 0.000 -11.983) 18.729 9.792 ( -15.585 0.000 5.917) 16.671 9.972 ( -11.939 0.000 -10.155) 15.674 10.559 ( 12.512 0.000 5.078) 13.503 10.581 ( 9.014 0.000 2.763) 9.428 11.055 ( 8.778 0.000 -1.236) 8.865 11.093 ( 11.482 0.000 -5.244) 12.623 11.750 ( 2.378 0.000 3.709) 4.406 11.771 ( -8.636 0.000 3.741) 9.411 12.178 ( 0.073 0.000 8.088) 8.088 12.422 ( -4.993 0.000 -15.125) 15.928 12.592 ( 18.394 0.000 10.764) 21.312 12.838 ( 8.756 0.000 -11.190) 14.208 13.194 ( -0.092 0.000 -3.115) 3.116 13.285 ( -7.731 0.000 -6.918) 10.374 13.547 ( 0.647 0.000 1.929) 2.034 13.589 ( 6.155 0.000 -4.372) 7.550 13.714 ( -0.485 0.000 11.198) 11.208 13.935 ( -0.696 0.000 -11.833) 11.853 14.471 ( -3.664 0.000 17.283) 17.667 14.886 ( -8.933 0.000 -24.486) 26.065 15.182 ( -3.433 0.000 10.097) 10.665 15.293 ( -3.560 0.000 -0.676) 3.623 15.407 ( -0.623 0.000 17.508) 17.519 15.731 ( -3.823 0.000 -15.132) 15.607 16.393 ( -3.315 0.000 11.668) 12.130 16.730 ( -7.832 0.000 -21.052) 22.461 16.916 ( -2.290 0.000 -0.125) 2.293 16.935 ( -0.790 0.000 -1.342) 1.557 20.516 ( 5.220 0.000 32.700) 33.114 21.141 ( 1.610 0.000 -23.622) 23.677 21.252 ( 5.994 0.000 13.167) 14.467 21.576 ( 5.264 0.000 -12.520) 13.582 22.518 ( -7.267 0.000 5.339) 9.018 22.541 ( -8.136 0.000 5.733) 9.953 22.647 ( -3.465 0.000 -6.947) 7.763 22.694 ( -4.193 0.000 -9.147) 10.062 ======================= Grid point 182 (63/75) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 9.516 0.000 4.332) 10.455 2.649 ( 8.925 0.000 7.619) 11.735 2.818 ( 6.458 0.000 9.539) 11.519 3.145 ( 7.700 0.000 -16.601) 18.300 3.425 ( 15.196 0.000 1.338) 15.254 3.504 ( 11.408 0.000 -1.629) 11.524 3.595 ( 11.759 0.000 11.082) 16.158 3.800 ( 5.728 0.000 -8.454) 10.212 4.307 ( -10.446 0.000 -7.822) 13.050 4.396 ( -1.010 0.000 -12.872) 12.911 4.827 ( -8.540 0.000 23.330) 24.844 5.215 ( -11.054 0.000 17.144) 20.398 5.222 ( -11.984 0.000 -15.622) 19.690 5.403 ( 5.167 0.000 14.272) 15.178 5.506 ( -7.012 0.000 -3.092) 7.663 5.554 ( -7.033 0.000 -12.847) 14.646 5.798 ( -5.748 0.000 8.369) 10.153 5.845 ( 5.182 0.000 13.034) 14.026 5.947 ( 1.173 0.000 5.715) 5.834 6.224 ( 1.283 0.000 -10.937) 11.012 6.693 ( 8.819 0.000 12.179) 15.037 6.821 ( -1.982 0.000 0.831) 2.149 7.157 ( -0.665 0.000 3.740) 3.799 7.230 ( -1.765 0.000 12.231) 12.357 7.340 ( 3.531 0.000 15.985) 16.370 7.577 ( -12.399 0.000 -7.803) 14.650 7.580 ( 5.821 0.000 -10.156) 11.706 7.869 ( -1.958 0.000 -24.663) 24.740 7.996 ( -3.214 0.000 4.302) 5.370 8.121 ( 1.885 0.000 -7.989) 8.208 8.502 ( 0.898 0.000 8.034) 8.084 8.509 ( 18.651 0.000 8.723) 20.590 8.784 ( -2.037 0.000 12.281) 12.449 9.014 ( -12.926 0.000 -6.603) 14.515 9.111 ( -2.751 0.000 -9.326) 9.723 9.154 ( 7.437 0.000 -8.813) 11.531 9.498 ( -10.682 0.000 10.361) 14.882 9.747 ( -9.615 0.000 -13.200) 16.331 10.658 ( -1.528 0.000 3.944) 4.230 10.680 ( -1.517 0.000 2.354) 2.801 11.304 ( 14.228 0.000 5.946) 15.420 11.404 ( 17.552 0.000 -4.285) 18.067 11.704 ( 2.776 0.000 10.322) 10.689 11.842 ( 6.775 0.000 -3.710) 7.724 12.194 ( 2.495 0.000 3.700) 4.462 12.326 ( -3.854 0.000 -9.822) 10.551 12.925 ( -2.510 0.000 1.090) 2.736 12.950 ( 12.602 0.000 -0.069) 12.602 13.130 ( -3.971 0.000 0.739) 4.039 13.269 ( 8.756 0.000 -12.601) 15.344 13.582 ( 3.069 0.000 5.111) 5.961 13.638 ( -0.530 0.000 3.249) 3.292 13.796 ( 7.961 0.000 0.982) 8.021 13.948 ( 2.349 0.000 -10.369) 10.632 14.362 ( -7.037 0.000 11.173) 13.205 14.650 ( -14.109 0.000 -17.424) 22.420 15.067 ( -7.276 0.000 11.352) 13.483 15.180 ( -7.338 0.000 0.446) 7.352 15.378 ( -2.715 0.000 12.641) 12.929 15.600 ( -8.943 0.000 -9.693) 13.189 16.370 ( 1.471 0.000 0.759) 1.655 16.570 ( -6.995 0.000 -18.560) 19.834 16.835 ( -5.380 0.000 1.871) 5.696 16.892 ( -3.474 0.000 -3.724) 5.092 20.666 ( 9.514 0.000 29.247) 30.756 21.195 ( 3.766 0.000 -15.908) 16.347 21.400 ( 8.147 0.000 9.908) 12.827 21.711 ( 7.540 0.000 -13.238) 15.235 22.314 ( -13.947 0.000 9.497) 16.873 22.340 ( -9.794 0.000 8.593) 13.030 22.548 ( -6.089 0.000 -8.551) 10.497 22.562 ( -8.558 0.000 -11.917) 14.671 ======================= Grid point 183 (64/75) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 14.354 0.000 4.937) 15.179 2.883 ( 14.125 0.000 10.558) 17.635 2.999 ( 10.929 0.000 5.449) 12.212 3.291 ( 8.854 0.000 -15.568) 17.910 3.621 ( 3.392 0.000 1.903) 3.890 3.691 ( 3.112 0.000 3.915) 5.002 3.804 ( 5.071 0.000 -1.370) 5.253 3.925 ( 4.648 0.000 -9.068) 10.190 4.134 ( -1.721 0.000 5.843) 6.091 4.376 ( -1.346 0.000 -14.927) 14.988 4.574 ( -13.657 0.000 19.915) 24.148 4.921 ( -17.334 0.000 -15.233) 23.076 5.105 ( 1.532 0.000 10.605) 10.715 5.273 ( -6.983 0.000 -6.559) 9.580 5.427 ( -1.682 0.000 7.298) 7.489 5.491 ( -4.711 0.000 0.523) 4.740 5.857 ( 8.184 0.000 11.991) 14.517 5.959 ( 5.526 0.000 8.795) 10.387 6.172 ( 17.482 0.000 4.215) 17.983 6.272 ( 2.393 0.000 3.511) 4.249 6.671 ( -9.980 0.000 1.711) 10.125 6.825 ( -1.628 0.000 -6.016) 6.232 7.118 ( -10.733 0.000 3.942) 11.434 7.129 ( -5.282 0.000 -4.397) 6.873 7.205 ( -4.768 0.000 16.563) 17.235 7.535 ( 4.812 0.000 12.712) 13.593 7.628 ( 2.563 0.000 -19.831) 19.996 7.879 ( 3.016 0.000 -14.629) 14.937 7.929 ( -3.254 0.000 8.339) 8.952 8.112 ( -2.074 0.000 -11.062) 11.255 8.286 ( -14.603 0.000 6.672) 16.055 8.489 ( -15.873 0.000 -8.829) 18.163 8.913 ( 8.642 0.000 5.696) 10.350 8.951 ( -2.516 0.000 6.996) 7.435 9.042 ( -0.749 0.000 10.132) 10.159 9.368 ( 4.330 0.000 -15.713) 16.299 9.517 ( 13.427 0.000 5.421) 14.480 9.670 ( 7.612 0.000 -9.723) 12.348 10.532 ( -11.802 0.000 2.797) 12.129 10.544 ( -9.100 0.000 0.780) 9.134 11.575 ( 12.528 0.000 11.683) 17.131 11.734 ( 14.409 0.000 -4.227) 15.017 11.821 ( 6.056 0.000 10.744) 12.333 11.979 ( 5.119 0.000 -5.077) 7.209 12.303 ( 8.075 0.000 -2.066) 8.335 12.306 ( 2.597 0.000 -3.576) 4.419 12.791 ( -9.139 0.000 -0.075) 9.139 12.866 ( -10.090 0.000 -7.494) 12.568 13.351 ( 15.501 0.000 4.603) 16.170 13.475 ( 10.567 0.000 -7.134) 12.750 13.652 ( 2.913 0.000 7.231) 7.796 13.687 ( 7.538 0.000 2.846) 8.057 13.936 ( 4.266 0.000 1.338) 4.471 14.010 ( 2.335 0.000 -4.948) 5.471 14.196 ( -9.194 0.000 3.977) 10.018 14.337 ( -16.518 0.000 -8.519) 18.585 14.942 ( -3.504 0.000 6.841) 7.687 15.034 ( -5.824 0.000 -0.748) 5.871 15.283 ( -6.722 0.000 4.774) 8.244 15.391 ( -11.457 0.000 -7.186) 13.524 16.439 ( 4.885 0.000 -6.093) 7.809 16.479 ( -1.698 0.000 -11.287) 11.414 16.714 ( -6.332 0.000 2.538) 6.822 16.800 ( -5.489 0.000 -6.038) 8.160 20.895 ( 13.205 0.000 24.401) 27.745 21.294 ( 6.078 0.000 -8.254) 10.251 21.549 ( 5.537 0.000 10.080) 11.501 21.817 ( -2.158 0.000 -8.849) 9.109 22.044 ( -7.439 0.000 8.977) 11.658 22.152 ( -7.877 0.000 5.076) 9.371 22.372 ( -9.769 0.000 -11.860) 15.365 22.412 ( -7.226 0.000 -9.443) 11.891 ======================= Grid point 184 (65/75) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 16.812 0.000 5.643) 17.734 3.174 ( 11.906 0.000 14.342) 18.640 3.212 ( 8.139 0.000 6.024) 10.126 3.475 ( -3.223 0.000 -8.915) 9.479 3.572 ( 0.000 0.000 7.419) 7.419 3.628 ( 1.149 0.000 -2.302) 2.572 3.756 ( -7.342 0.000 -12.184) 14.225 3.820 ( -14.157 0.000 -12.049) 18.590 4.313 ( 13.582 0.000 5.007) 14.475 4.367 ( 2.419 0.000 0.180) 2.426 4.427 ( -2.973 0.000 5.035) 5.847 4.591 ( -14.651 0.000 -8.866) 17.125 5.227 ( 8.239 0.000 5.006) 9.640 5.243 ( 3.038 0.000 2.499) 3.933 5.361 ( -7.512 0.000 5.473) 9.294 5.364 ( -4.786 0.000 4.917) 6.862 6.036 ( 9.470 0.000 9.102) 13.135 6.115 ( 11.613 0.000 3.304) 12.074 6.232 ( -8.443 0.000 14.123) 16.454 6.407 ( -8.772 0.000 6.258) 10.775 6.629 ( 9.105 0.000 -7.794) 11.986 6.636 ( 4.494 0.000 -17.429) 17.999 6.878 ( -12.368 0.000 0.862) 12.398 6.905 ( -15.010 0.000 -4.218) 15.591 7.380 ( 13.876 0.000 21.437) 25.536 7.580 ( -3.250 0.000 20.533) 20.789 7.767 ( 9.878 0.000 -12.814) 16.179 7.906 ( 3.934 0.000 1.363) 4.163 7.937 ( 0.039 0.000 -0.336) 0.338 8.024 ( -8.362 0.000 -12.559) 15.088 8.052 ( -3.887 0.000 -16.628) 17.076 8.134 ( -16.853 0.000 -8.877) 19.048 8.920 ( 1.456 0.000 13.535) 13.613 8.990 ( -4.292 0.000 16.370) 16.923 9.094 ( 9.309 0.000 -4.079) 10.163 9.277 ( -8.415 0.000 -10.897) 13.768 9.881 ( 19.396 0.000 4.616) 19.937 9.988 ( 17.850 0.000 -7.157) 19.232 10.244 ( -16.392 0.000 4.160) 16.911 10.310 ( -13.963 0.000 -3.566) 14.411 11.792 ( 8.352 0.000 13.136) 15.566 11.884 ( -0.462 0.000 11.555) 11.564 11.959 ( 7.355 0.000 -3.191) 8.018 12.027 ( -0.084 0.000 -3.012) 3.013 12.414 ( 7.375 0.000 -1.597) 7.546 12.478 ( 8.823 0.000 -6.883) 11.190 12.593 ( -10.016 0.000 -1.634) 10.149 12.663 ( -9.739 0.000 -8.293) 12.791 13.657 ( 15.109 0.000 3.399) 15.486 13.701 ( 12.095 0.000 -1.313) 12.166 13.766 ( 7.454 0.000 9.383) 11.983 13.855 ( 6.922 0.000 1.871) 7.170 13.924 ( -5.220 0.000 6.597) 8.412 13.955 ( -7.756 0.000 0.264) 7.760 14.005 ( -15.804 0.000 -3.542) 16.196 14.030 ( -6.427 0.000 -3.165) 7.164 14.971 ( 6.293 0.000 -1.251) 6.416 15.000 ( 2.985 0.000 -3.170) 4.355 15.125 ( -8.159 0.000 -1.602) 8.315 15.158 ( -11.209 0.000 -5.462) 12.469 16.497 ( 3.163 0.000 -3.647) 4.828 16.552 ( 6.146 0.000 -8.090) 10.159 16.590 ( -5.719 0.000 0.867) 5.785 16.679 ( -6.358 0.000 -7.660) 9.955 21.195 ( 16.522 0.000 18.878) 25.087 21.436 ( 7.792 0.000 0.740) 7.827 21.547 ( -17.876 0.000 12.091) 21.581 21.571 ( -3.954 0.000 9.249) 10.059 22.080 ( 1.674 0.000 -4.021) 4.356 22.108 ( 7.372 0.000 -7.520) 10.531 22.189 ( -7.960 0.000 -8.649) 11.754 22.262 ( -7.653 0.000 -9.366) 12.095 ======================= Grid point 189 (66/75) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.000 3.790 12.261) 12.833 2.657 ( 0.000 -5.534 13.932) 14.991 2.698 ( 0.000 8.837 9.183) 12.744 2.872 ( 0.000 3.280 -7.450) 8.140 2.912 ( 0.000 5.074 -2.610) 5.706 3.281 ( 0.000 -3.684 18.639) 19.000 3.315 ( 0.000 1.248 -23.469) 23.502 3.681 ( 0.000 1.089 -19.444) 19.474 4.462 ( 0.000 5.764 8.766) 10.491 4.775 ( 0.000 15.180 -21.384) 26.224 4.835 ( 0.000 -0.636 38.262) 38.267 5.245 ( 0.000 3.040 15.313) 15.612 5.401 ( 0.000 -3.044 -10.498) 10.930 5.596 ( 0.000 -0.519 -23.818) 23.823 5.612 ( 0.000 -0.934 6.333) 6.401 5.672 ( 0.000 -3.382 1.759) 3.812 5.871 ( 0.000 10.790 20.302) 22.991 6.142 ( 0.000 -11.995 13.304) 17.913 6.154 ( 0.000 -10.642 11.223) 15.466 6.307 ( 0.000 -12.698 -4.965) 13.634 6.443 ( 0.000 3.639 -5.344) 6.465 6.761 ( 0.000 -6.647 9.506) 11.600 6.872 ( 0.000 -17.359 -27.689) 32.681 6.927 ( 0.000 -2.052 -7.074) 7.366 7.384 ( 0.000 2.482 10.312) 10.606 7.433 ( 0.000 5.347 31.968) 32.412 7.608 ( 0.000 11.370 -12.570) 16.949 7.852 ( 0.000 9.826 22.570) 24.616 7.983 ( 0.000 3.496 9.544) 10.164 8.096 ( 0.000 8.022 -27.706) 28.844 8.190 ( 0.000 10.211 -10.384) 14.564 8.297 ( 0.000 0.249 -16.213) 16.214 9.001 ( 0.000 -10.333 11.281) 15.298 9.049 ( 0.000 -12.988 10.052) 16.424 9.154 ( 0.000 -4.297 -3.984) 5.860 9.291 ( 0.000 -15.960 -13.158) 20.684 10.118 ( 0.000 7.856 8.781) 11.782 10.256 ( 0.000 7.553 -4.096) 8.592 10.334 ( 0.000 -0.986 8.185) 8.244 10.446 ( 0.000 2.044 -2.424) 3.171 11.032 ( 0.000 6.723 -1.707) 6.936 11.094 ( 0.000 10.452 -8.240) 13.310 11.647 ( 0.000 -7.668 8.816) 11.684 11.852 ( 0.000 -7.369 -12.011) 14.092 12.218 ( 0.000 5.089 16.110) 16.895 12.413 ( 0.000 5.215 17.285) 18.055 12.532 ( 0.000 4.037 -16.372) 16.862 12.717 ( 0.000 -1.357 -10.325) 10.414 13.148 ( 0.000 -0.896 -8.077) 8.126 13.223 ( 0.000 -11.861 -12.389) 17.151 13.377 ( 0.000 -9.495 9.824) 13.663 13.530 ( 0.000 -3.027 -5.923) 6.651 13.927 ( 0.000 16.777 13.184) 21.337 14.184 ( 0.000 18.423 -13.452) 22.811 14.551 ( 0.000 3.983 19.268) 19.675 14.963 ( 0.000 -3.392 -18.700) 19.005 15.160 ( 0.000 -4.285 10.880) 11.693 15.306 ( 0.000 -8.529 11.441) 14.270 15.314 ( 0.000 -1.486 -4.305) 4.554 15.636 ( 0.000 -12.667 -18.888) 22.742 16.473 ( 0.000 2.893 15.201) 15.474 16.827 ( 0.000 0.071 -21.383) 21.384 16.833 ( 0.000 -7.340 4.041) 8.379 16.911 ( 0.000 -2.884 -3.990) 4.923 20.524 ( 0.000 5.897 33.427) 33.943 21.096 ( 0.000 -8.066 24.677) 25.962 21.170 ( 0.000 3.997 -32.927) 33.169 21.489 ( 0.000 -3.073 -15.828) 16.124 22.651 ( 0.000 2.167 4.484) 4.980 22.662 ( 0.000 4.492 1.034) 4.610 22.714 ( 0.000 3.269 -4.785) 5.795 22.758 ( 0.000 2.242 -6.873) 7.229 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.11 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 6.219 5.974 12.377) 15.085 2.625 ( 0.977 2.496 16.731) 16.945 2.828 ( 0.970 8.338 -8.412) 11.884 2.892 ( 12.836 -1.758 7.316) 14.879 3.081 ( 10.816 -1.095 -5.948) 12.392 3.343 ( 5.951 -1.998 8.027) 10.190 3.392 ( 8.240 1.663 -10.193) 13.213 3.734 ( 4.612 1.806 -16.950) 17.658 4.391 ( -5.511 2.832 7.367) 9.626 4.676 ( -8.510 11.401 -16.826) 22.035 4.870 ( 1.164 -1.266 27.410) 27.464 5.247 ( -1.516 -2.034 6.577) 7.049 5.352 ( -2.121 0.112 -1.471) 2.584 5.481 ( -4.541 -0.880 0.717) 4.681 5.645 ( -6.105 5.153 6.077) 10.038 5.727 ( -2.696 2.300 7.759) 8.530 5.803 ( 4.769 -0.315 -9.356) 10.506 5.872 ( -13.197 -8.875 5.940) 16.977 6.031 ( -11.949 -2.733 4.747) 13.145 6.294 ( -10.943 -10.753 -9.381) 17.983 6.516 ( 3.373 -0.725 13.758) 14.184 6.765 ( 15.733 -1.574 -13.913) 21.061 6.910 ( 2.498 -6.956 10.364) 12.730 7.144 ( 10.884 -10.179 -2.534) 15.116 7.365 ( -1.835 3.984 13.181) 13.891 7.464 ( 2.073 2.504 1.615) 3.630 7.681 ( 2.586 2.230 1.475) 3.719 7.963 ( 0.550 10.286 3.525) 10.887 8.028 ( 1.639 2.123 3.363) 4.302 8.148 ( 14.462 7.260 -12.666) 20.549 8.244 ( 4.583 10.374 -8.034) 13.898 8.348 ( 6.119 2.532 -7.339) 9.886 8.863 ( -11.983 -11.502 7.593) 18.263 8.939 ( -6.888 -10.268 5.726) 13.626 9.148 ( -5.403 -10.111 -3.916) 12.114 9.220 ( -2.837 -6.840 -8.875) 11.559 9.907 ( -14.684 10.206 9.947) 20.463 10.107 ( -10.601 10.290 -9.008) 17.304 10.484 ( 6.726 -6.207 6.110) 11.004 10.543 ( 7.399 -3.519 0.139) 8.194 11.130 ( 8.970 6.933 0.695) 11.358 11.203 ( 9.856 9.473 -6.446) 15.114 11.683 ( 3.514 -6.341 4.826) 8.709 11.754 ( -5.808 -2.516 -0.742) 6.373 12.234 ( 0.654 5.500 9.440) 10.945 12.467 ( -4.738 4.232 -13.117) 14.574 12.594 ( 14.496 -0.208 12.009) 18.826 12.811 ( 6.854 -2.894 -6.983) 10.204 13.162 ( -2.395 -5.856 -7.214) 9.595 13.176 ( 0.656 -2.332 -9.203) 9.516 13.418 ( 3.144 -10.058 3.960) 11.258 13.535 ( 0.860 -3.929 -6.126) 7.328 13.919 ( -0.391 16.583 13.062) 21.114 14.169 ( -1.173 17.831 -12.331) 21.711 14.516 ( -3.547 4.120 16.491) 17.364 14.876 ( -8.230 -2.294 -17.031) 19.054 15.119 ( -3.874 -4.760 11.250) 12.816 15.281 ( -3.451 -1.680 -4.393) 5.833 15.323 ( 1.262 -7.243 11.441) 13.600 15.621 ( -1.834 -10.968 -16.680) 20.047 16.417 ( -4.342 2.531 12.101) 13.103 16.727 ( -7.371 -0.543 -16.036) 17.658 16.827 ( -2.400 -6.803 -0.839) 7.262 16.893 ( -2.164 -3.885 -4.490) 6.319 20.579 ( 5.308 5.992 32.254) 33.232 21.132 ( 3.188 -5.129 14.758) 15.945 21.219 ( 4.989 1.545 -21.963) 22.575 21.542 ( 4.985 -3.340 -15.828) 16.927 22.567 ( -8.198 2.636 5.496) 10.216 22.577 ( -7.484 3.995 4.939) 9.817 22.672 ( -4.174 2.554 -6.250) 7.938 22.718 ( -4.355 1.998 -8.859) 10.071 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.22 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 7.997 6.211 10.518) 14.600 2.728 ( 10.581 5.895 15.208) 19.442 2.884 ( 4.919 6.204 -2.830) 8.408 3.132 ( 8.520 -0.819 -13.714) 16.166 3.302 ( 11.772 -7.433 6.871) 15.526 3.538 ( 12.675 -0.898 9.011) 15.578 3.622 ( 13.174 3.433 -8.959) 16.297 3.840 ( 5.584 2.961 -9.252) 11.204 4.267 ( -7.068 0.346 3.852) 8.057 4.499 ( -7.636 6.153 -11.630) 15.212 4.815 ( -7.190 -1.310 14.855) 16.555 5.136 ( -9.348 -7.296 -11.288) 16.372 5.259 ( -8.817 3.594 16.008) 18.626 5.447 ( 0.953 1.863 3.893) 4.420 5.564 ( -7.487 5.379 -0.968) 9.269 5.605 ( -0.230 -0.681 7.213) 7.248 5.636 ( -12.356 -2.615 -0.811) 12.656 5.816 ( 2.139 -7.806 -3.340) 8.755 5.965 ( 4.524 3.187 11.195) 12.488 6.169 ( 1.403 -5.430 -9.910) 11.387 6.666 ( 7.838 -1.815 12.581) 14.934 6.887 ( 0.341 4.659 -0.603) 4.710 7.112 ( 8.493 -6.533 2.556) 11.015 7.241 ( -1.816 -5.559 6.338) 8.624 7.292 ( -0.914 5.066 21.874) 22.471 7.574 ( 1.587 2.062 -10.934) 11.240 7.589 ( -4.785 -0.743 -8.728) 9.981 7.893 ( -7.500 2.704 -22.156) 23.547 8.002 ( -1.723 1.364 12.208) 12.404 8.236 ( -1.938 6.479 -11.207) 13.089 8.405 ( -8.010 -7.732 9.507) 14.640 8.523 ( 6.236 0.997 2.696) 6.867 8.761 ( -4.699 -9.186 0.447) 10.327 8.806 ( 12.802 -2.185 -1.443) 13.067 9.071 ( -0.189 -2.149 3.958) 4.508 9.225 ( 5.389 -3.416 -10.019) 11.879 9.639 ( -10.000 13.433 10.922) 19.994 9.900 ( -9.274 13.539 -13.694) 21.373 10.535 ( -1.538 -10.107 8.055) 13.015 10.639 ( 0.003 -5.456 -2.459) 5.985 11.350 ( 11.843 4.346 5.895) 13.924 11.446 ( 13.382 4.220 -3.718) 14.516 11.718 ( 2.976 0.430 5.844) 6.572 11.787 ( 6.548 -5.218 -1.246) 8.466 12.261 ( 2.803 6.473 4.288) 8.255 12.378 ( -3.327 5.067 -7.705) 9.804 12.811 ( 2.450 -7.737 4.288) 9.179 12.914 ( 0.421 -6.617 -5.511) 8.622 13.122 ( 5.572 1.015 4.164) 7.030 13.289 ( 8.606 2.045 -13.139) 15.839 13.487 ( 4.164 -6.844 1.987) 8.254 13.577 ( 3.343 -5.672 -5.809) 8.780 13.932 ( 1.828 13.264 11.408) 17.591 14.146 ( -1.164 14.280 -8.838) 16.834 14.410 ( -6.839 4.444 10.637) 13.404 14.652 ( -13.592 -1.082 -11.523) 17.852 15.027 ( -4.374 -1.378 7.861) 9.101 15.174 ( -6.792 -1.436 -4.445) 8.243 15.338 ( -0.270 -4.375 11.035) 11.874 15.546 ( -5.808 -5.791 -9.894) 12.852 16.354 ( -1.040 -0.755 3.324) 3.564 16.567 ( -7.693 0.016 -16.618) 18.312 16.743 ( -5.571 -8.107 1.697) 9.982 16.825 ( -4.485 -5.823 -5.575) 9.225 20.730 ( 9.533 6.099 29.093) 31.216 21.213 ( 4.817 -0.467 2.477) 5.436 21.359 ( 8.268 -1.645 -6.402) 10.586 21.671 ( 7.344 -3.805 -15.767) 17.805 22.341 ( -13.768 2.573 9.587) 16.973 22.387 ( -10.705 3.356 8.617) 14.146 22.551 ( -7.796 1.000 -9.523) 12.348 22.586 ( -8.165 1.542 -10.656) 13.512 ======================= Grid point 192 (69/75) ======================= q-point: ( 0.33 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 10.860 2.135 9.570) 14.631 2.963 ( 10.356 5.668 -0.402) 11.812 3.058 ( 13.195 4.825 7.759) 16.050 3.284 ( 7.969 -1.621 -11.865) 14.384 3.489 ( 5.367 -5.982 10.216) 12.998 3.764 ( 5.499 0.548 -11.151) 12.445 3.840 ( 5.344 6.386 4.289) 9.367 3.957 ( 7.669 0.434 0.440) 7.694 4.136 ( -3.405 2.358 6.001) 7.291 4.394 ( -3.169 0.400 -9.739) 10.249 4.587 ( -14.053 0.998 10.683) 17.681 4.874 ( -15.779 -4.661 -13.441) 21.246 5.154 ( 0.360 4.257 10.213) 11.070 5.317 ( -6.790 4.111 -6.196) 10.069 5.456 ( -2.467 0.770 6.791) 7.266 5.500 ( -5.027 -0.783 3.866) 6.390 5.744 ( 10.430 -2.256 11.210) 15.477 5.948 ( 7.940 -4.897 -5.198) 10.679 6.139 ( 12.731 -1.326 7.432) 14.801 6.237 ( 5.366 -4.545 -3.762) 7.975 6.698 ( -9.577 1.667 6.165) 11.512 6.832 ( -5.924 2.661 -4.004) 7.629 7.077 ( -10.770 -0.941 10.041) 14.755 7.146 ( 0.269 -2.803 6.776) 7.338 7.332 ( -8.751 10.530 0.512) 13.702 7.438 ( 5.637 -5.334 15.244) 17.106 7.661 ( 0.946 0.744 -20.285) 20.320 7.821 ( 2.959 -4.678 -14.120) 15.166 7.931 ( -5.237 -0.468 12.521) 13.580 8.147 ( -7.927 0.214 -7.154) 10.680 8.174 ( -10.181 -6.530 -2.522) 12.355 8.318 ( -15.599 -13.463 -9.386) 22.643 8.901 ( 9.914 2.953 7.581) 12.825 8.971 ( 3.349 2.801 0.791) 4.437 9.222 ( 7.366 11.458 15.564) 20.683 9.409 ( 8.708 -1.149 -0.771) 8.817 9.622 ( 12.309 4.101 -4.586) 13.761 9.746 ( -4.928 15.163 -12.062) 19.992 10.424 ( -9.180 -8.759 7.739) 14.862 10.537 ( -9.271 -3.125 -3.704) 10.461 11.583 ( 11.137 1.159 10.456) 15.320 11.710 ( 12.003 -1.240 -1.029) 12.111 11.819 ( 5.196 -0.829 5.493) 7.606 11.916 ( 5.288 -5.579 -3.236) 8.340 12.348 ( 4.104 4.698 -0.747) 6.283 12.376 ( 4.804 5.918 -3.163) 8.252 12.746 ( -6.592 -4.080 0.019) 7.752 12.804 ( -7.860 -5.767 -5.526) 11.206 13.366 ( 14.152 1.572 3.306) 14.618 13.466 ( 8.390 0.236 -6.174) 10.420 13.614 ( 8.590 -3.829 1.226) 9.485 13.679 ( 7.149 -2.114 -2.463) 7.851 13.964 ( -0.204 4.563 7.909) 9.133 14.101 ( -4.097 6.762 -3.465) 8.632 14.251 ( -8.553 4.917 4.769) 10.958 14.354 ( -15.393 0.313 -5.168) 16.241 14.981 ( 0.329 4.891 0.950) 4.994 15.046 ( -4.324 1.074 -3.633) 5.749 15.288 ( -5.221 0.529 7.409) 9.079 15.401 ( -7.866 -0.249 -4.709) 9.172 16.378 ( 3.074 -5.046 -4.215) 7.258 16.449 ( -3.528 -2.284 -11.797) 12.523 16.621 ( -6.151 -8.437 1.896) 10.612 16.719 ( -5.902 -7.244 -7.299) 11.857 20.956 ( 12.966 5.873 24.668) 28.480 21.328 ( 6.658 2.026 1.697) 7.163 21.522 ( 7.059 -1.513 0.810) 7.265 21.792 ( 1.371 -2.748 -11.795) 12.189 22.062 ( -10.446 1.980 10.570) 14.992 22.175 ( -9.474 1.530 6.741) 11.727 22.364 ( -10.147 -0.306 -12.375) 16.006 22.417 ( -8.455 0.177 -10.324) 13.346 ======================= Grid point 193 (70/75) ======================= q-point: ( 0.44 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 10.825 -1.143 8.477) 13.796 3.160 ( 7.464 -1.803 3.459) 8.422 3.301 ( 7.188 0.349 0.334) 7.204 3.374 ( -1.834 -5.180 -5.251) 7.601 3.592 ( 7.515 3.292 6.847) 10.687 3.715 ( -4.784 7.701 4.776) 10.247 3.832 ( -1.032 10.289 -4.545) 11.296 3.983 ( -10.121 8.830 -8.653) 15.978 4.259 ( 13.520 -4.835 7.664) 16.276 4.355 ( -0.379 -2.753 -3.708) 4.634 4.391 ( -3.345 -2.241 6.765) 7.873 4.559 ( -14.634 -3.034 -8.480) 17.183 5.255 ( 7.208 2.244 5.464) 9.319 5.283 ( 2.430 3.683 0.780) 4.480 5.374 ( -5.232 0.544 5.417) 7.551 5.403 ( -5.083 2.851 2.696) 6.421 5.984 ( 13.393 -1.278 9.261) 16.333 6.098 ( 7.234 0.063 0.644) 7.263 6.272 ( -3.849 2.888 1.566) 5.060 6.405 ( -11.698 -5.631 -10.498) 16.696 6.491 ( 11.171 -0.610 9.481) 14.665 6.684 ( 3.496 -3.403 -6.649) 8.247 6.814 ( -13.389 -2.918 4.699) 14.487 6.992 ( -17.048 -0.245 -10.023) 19.778 7.380 ( 11.982 2.073 19.518) 22.996 7.525 ( 0.725 -2.405 19.072) 19.237 7.739 ( 4.668 -2.589 -12.608) 13.692 7.834 ( -0.930 -3.841 5.496) 6.769 7.866 ( -4.159 -9.533 -2.480) 10.693 7.937 ( -10.823 -4.654 -5.321) 12.927 8.018 ( -0.060 -2.262 -16.113) 16.271 8.109 ( -6.402 -2.678 -13.900) 15.536 9.015 ( 5.872 8.874 12.945) 16.757 9.130 ( 0.218 11.973 13.332) 17.921 9.219 ( 5.308 11.036 0.434) 12.254 9.422 ( -8.846 9.597 -8.247) 15.439 9.871 ( 15.519 0.523 2.749) 15.769 9.969 ( 18.033 -1.816 -7.281) 19.532 10.184 ( -14.292 -5.523 6.298) 16.567 10.297 ( -14.247 -2.086 -5.348) 15.360 11.776 ( 7.312 -1.051 11.653) 13.797 11.852 ( 0.406 -2.375 9.608) 9.905 11.926 ( 5.688 -3.118 -2.153) 6.834 11.977 ( 0.586 -4.548 -2.326) 5.142 12.444 ( 6.023 2.765 -0.723) 6.666 12.507 ( 6.666 2.382 -5.997) 9.278 12.591 ( -8.028 -0.219 -1.537) 8.176 12.649 ( -7.330 -1.657 -6.845) 10.165 13.622 ( 10.889 -1.344 4.433) 11.833 13.683 ( 13.912 0.155 -2.862) 14.204 13.777 ( 2.880 -3.002 5.288) 6.728 13.850 ( 7.926 0.929 0.462) 7.993 13.894 ( -3.024 -0.637 3.755) 4.863 13.967 ( -8.306 0.934 -2.646) 8.767 14.055 ( -11.672 3.037 -1.327) 12.133 14.086 ( -9.233 3.083 -0.552) 9.750 15.009 ( 3.604 4.209 1.697) 5.795 15.080 ( 5.763 7.134 -4.852) 10.376 15.144 ( -7.284 4.131 2.726) 8.807 15.242 ( -8.101 5.085 -5.162) 10.869 16.427 ( 1.621 -5.941 -4.317) 7.521 16.460 ( 2.777 -7.987 -3.729) 9.242 16.516 ( -2.518 -7.055 -3.910) 8.450 16.596 ( -6.089 -7.613 -8.658) 13.038 21.248 ( 15.892 4.995 19.455) 25.612 21.474 ( 7.341 2.933 5.819) 9.816 21.580 ( -11.298 2.319 11.824) 16.517 21.594 ( -6.862 2.557 7.188) 10.262 22.060 ( 1.358 -1.857 -3.159) 3.908 22.082 ( 5.230 -1.966 -8.299) 10.005 22.173 ( -7.737 -1.476 -10.811) 13.376 22.247 ( -8.307 -1.464 -10.666) 13.598 ======================= Grid point 198 (71/75) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 0.000 2.174 23.017) 23.120 2.571 ( 0.000 -2.760 20.151) 20.339 2.877 ( 0.000 12.020 27.233) 29.767 2.932 ( 0.000 2.965 -14.677) 14.974 2.984 ( 0.000 -0.737 -20.298) 20.311 3.134 ( 0.000 -11.104 24.949) 27.309 3.453 ( 0.000 11.633 -28.528) 30.809 3.647 ( 0.000 -5.722 -23.816) 24.494 4.655 ( 0.000 10.990 20.312) 23.095 4.807 ( 0.000 -3.391 27.581) 27.789 5.067 ( 0.000 12.410 -19.007) 22.700 5.257 ( 0.000 -6.044 -10.800) 12.376 5.403 ( 0.000 7.033 10.159) 12.356 5.570 ( 0.000 -6.499 8.343) 10.576 5.615 ( 0.000 0.696 5.253) 5.299 5.626 ( 0.000 2.714 -11.609) 11.921 5.829 ( 0.000 -8.198 22.983) 24.401 5.903 ( 0.000 -11.629 6.604) 13.373 6.124 ( 0.000 -2.330 -13.015) 13.222 6.130 ( 0.000 5.281 3.044) 6.096 6.543 ( 0.000 -8.464 -16.397) 18.452 6.605 ( 0.000 -8.721 9.324) 12.767 6.616 ( 0.000 10.060 -16.081) 18.968 6.815 ( 0.000 -8.405 -10.806) 13.690 7.429 ( 0.000 1.784 19.770) 19.850 7.463 ( 0.000 -1.268 30.734) 30.760 7.844 ( 0.000 11.472 -21.360) 24.246 8.040 ( 0.000 -5.472 -24.760) 25.358 8.139 ( 0.000 10.321 15.438) 18.570 8.156 ( 0.000 11.423 16.634) 20.179 8.361 ( 0.000 -0.147 0.384) 0.412 8.373 ( 0.000 3.796 -4.904) 6.202 8.803 ( 0.000 -4.914 8.400) 9.732 8.859 ( 0.000 -2.839 -2.321) 3.667 8.972 ( 0.000 -12.644 -10.189) 16.239 9.012 ( 0.000 -8.763 -9.871) 13.199 10.247 ( 0.000 4.515 11.107) 11.990 10.308 ( 0.000 -1.888 11.188) 11.346 10.392 ( 0.000 5.510 -2.947) 6.249 10.461 ( 0.000 -1.129 -3.420) 3.601 11.218 ( 0.000 11.071 2.375) 11.323 11.358 ( 0.000 14.688 -11.353) 18.565 11.450 ( 0.000 -11.369 6.900) 13.300 11.644 ( 0.000 -12.921 -12.242) 17.799 12.347 ( 0.000 7.208 14.651) 16.328 12.468 ( 0.000 -2.768 14.896) 15.151 12.635 ( 0.000 5.376 -14.981) 15.917 12.689 ( 0.000 0.134 -5.530) 5.532 13.044 ( 0.000 -3.086 -0.675) 3.159 13.153 ( 0.000 -11.181 12.751) 16.959 13.237 ( 0.000 8.278 -16.981) 18.891 13.414 ( 0.000 -8.116 -13.269) 15.554 14.313 ( 0.000 20.366 14.788) 25.168 14.561 ( 0.000 16.043 -8.017) 17.935 14.618 ( 0.000 -1.538 16.121) 16.194 14.767 ( 0.000 -13.250 7.335) 15.145 15.091 ( 0.000 0.226 4.517) 4.523 15.215 ( 0.000 0.373 -11.423) 11.429 15.265 ( 0.000 -3.068 -9.916) 10.380 15.301 ( 0.000 -17.942 -16.147) 24.138 16.555 ( 0.000 5.238 12.241) 13.315 16.680 ( 0.000 -7.198 8.350) 11.025 16.833 ( 0.000 0.589 -16.717) 16.728 16.857 ( 0.000 -2.007 -10.165) 10.362 20.686 ( 0.000 9.818 31.710) 33.196 20.898 ( 0.000 -10.807 28.650) 30.621 21.276 ( 0.000 6.155 -28.931) 29.578 21.399 ( 0.000 -5.662 -22.807) 23.499 22.698 ( 0.000 2.031 4.272) 4.730 22.714 ( 0.000 0.686 2.603) 2.692 22.789 ( 0.000 2.768 -5.527) 6.181 22.801 ( 0.000 1.375 -6.621) 6.762 ======================= Grid point 199 (72/75) ======================= q-point: ( 0.11 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 7.435 2.163 22.027) 23.349 2.646 ( 6.489 -0.474 16.880) 18.090 2.946 ( 5.125 8.332 6.211) 11.587 2.983 ( 6.258 7.013 -0.295) 9.404 3.044 ( 5.191 -2.974 -13.258) 14.545 3.213 ( 7.758 -10.814 26.130) 29.324 3.533 ( 7.825 10.909 -27.873) 30.937 3.712 ( 6.033 -5.135 -22.404) 23.763 4.542 ( -8.668 10.768 19.211) 23.667 4.733 ( -7.399 -6.097 21.570) 23.605 4.965 ( -7.802 9.103 -17.498) 21.212 5.131 ( -9.388 -7.868 -12.134) 17.242 5.440 ( 1.176 7.419 8.533) 11.368 5.498 ( -5.342 2.711 4.841) 7.702 5.642 ( -1.848 -7.486 4.736) 9.049 5.674 ( -2.587 -9.723 -1.185) 10.131 5.739 ( -0.137 5.221 14.544) 15.453 5.853 ( -4.706 2.578 5.985) 8.038 6.011 ( -2.735 -2.248 -5.546) 6.580 6.099 ( -8.593 -6.691 -6.745) 12.810 6.537 ( 5.931 5.476 8.977) 12.073 6.687 ( 7.676 -5.100 -1.086) 9.279 6.827 ( 7.458 -2.087 -11.844) 14.151 6.907 ( 13.763 -9.422 -11.796) 20.429 7.446 ( 1.258 3.493 17.085) 17.484 7.498 ( 2.304 -0.844 24.963) 25.083 7.821 ( -2.911 10.512 -17.409) 20.544 8.022 ( -3.690 -7.406 -23.594) 25.003 8.115 ( -1.219 9.330 15.682) 18.288 8.328 ( 9.876 0.854 9.001) 13.390 8.345 ( -1.241 2.988 4.189) 5.293 8.455 ( 8.915 7.037 -4.754) 12.312 8.738 ( -9.539 -6.097 2.993) 11.710 8.796 ( -2.268 8.216 -6.582) 10.769 8.886 ( -2.327 -13.910 0.461) 14.111 9.030 ( -0.224 -11.802 -8.256) 14.405 10.129 ( -8.780 10.756 10.919) 17.664 10.287 ( -3.526 2.657 0.733) 4.475 10.351 ( -3.462 -2.638 1.244) 4.527 10.454 ( 0.605 -5.393 -3.842) 6.649 11.303 ( 7.383 9.751 3.916) 12.842 11.419 ( 5.533 9.691 -5.479) 12.432 11.520 ( 5.888 -7.838 2.792) 10.194 11.645 ( 0.619 -8.413 -7.253) 11.125 12.379 ( 2.475 8.175 11.158) 14.052 12.529 ( 4.183 -5.300 9.854) 11.946 12.594 ( -1.591 6.652 -6.619) 9.518 12.735 ( 2.130 -5.431 -8.021) 9.917 13.059 ( 2.602 1.129 3.028) 4.149 13.200 ( 4.523 -10.581 7.075) 13.509 13.262 ( 2.729 7.274 -16.375) 18.125 13.420 ( 0.793 -7.450 -12.827) 14.855 14.295 ( -1.854 19.506 14.572) 24.418 14.513 ( -4.421 11.609 -1.533) 12.517 14.598 ( -2.522 2.048 9.660) 10.192 14.712 ( -5.444 -12.142 5.411) 14.365 15.089 ( 0.067 3.331 1.493) 3.652 15.206 ( -0.644 -2.059 -6.508) 6.856 15.223 ( -3.522 -3.869 -10.269) 11.525 15.325 ( 1.823 -15.731 -14.106) 21.207 16.500 ( -4.983 5.689 11.132) 13.458 16.637 ( -4.179 -7.536 7.601) 11.491 16.769 ( -5.832 1.030 -16.059) 17.116 16.815 ( -4.184 -3.313 -10.394) 11.684 20.743 ( 5.438 9.870 30.803) 32.800 20.954 ( 5.237 -10.571 28.059) 30.438 21.317 ( 3.944 6.377 -28.088) 29.072 21.446 ( 4.456 -5.982 -22.398) 23.607 22.617 ( -7.849 2.007 5.949) 10.051 22.631 ( -7.779 0.918 4.680) 9.125 22.734 ( -5.249 2.605 -6.527) 8.771 22.751 ( -5.041 0.787 -7.952) 9.449 ======================= Grid point 200 (73/75) ======================= q-point: ( 0.22 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 7.733 4.102 14.952) 17.326 2.833 ( 11.622 0.045 12.288) 16.913 3.018 ( 2.858 6.825 -11.041) 13.291 3.121 ( 4.589 -2.572 -15.932) 16.778 3.234 ( 13.923 5.085 24.351) 28.508 3.434 ( 13.803 -9.708 25.013) 30.173 3.736 ( 10.723 7.523 -24.803) 28.050 3.857 ( 7.428 -2.791 -16.185) 18.026 4.378 ( -7.171 10.293 14.748) 19.362 4.559 ( -8.716 -3.201 13.638) 16.499 4.800 ( -8.506 2.466 -16.507) 18.732 4.950 ( -8.839 -10.261 -14.838) 20.089 5.335 ( -7.317 3.643 13.825) 16.060 5.406 ( -6.557 -3.858 13.395) 15.405 5.533 ( -4.785 0.390 -0.890) 4.882 5.601 ( -4.390 -5.213 -1.607) 7.002 5.759 ( 0.175 6.995 4.406) 8.269 5.792 ( -0.520 8.294 0.108) 8.311 5.979 ( 1.439 -3.186 -0.927) 3.617 6.021 ( 1.451 -7.914 -6.420) 10.293 6.692 ( 8.783 5.782 14.275) 17.729 6.869 ( 9.034 -9.478 15.807) 20.525 7.011 ( 7.124 2.591 -14.971) 16.781 7.118 ( 4.253 -6.834 -0.570) 8.069 7.443 ( -2.537 7.587 12.334) 14.701 7.536 ( 2.813 -1.730 2.091) 3.909 7.714 ( -7.039 7.898 -12.810) 16.614 7.875 ( -10.697 -5.652 -18.216) 21.867 8.056 ( -5.475 4.517 16.292) 17.771 8.206 ( -9.756 -8.939 11.945) 17.826 8.345 ( -8.114 3.369 -10.095) 13.383 8.446 ( -15.565 -6.565 -8.846) 19.069 8.750 ( 12.093 9.014 8.421) 17.275 8.898 ( 16.852 6.542 -3.189) 18.357 8.955 ( 4.414 -7.764 3.590) 9.625 9.084 ( 9.499 -9.081 -6.769) 14.782 9.956 ( -7.763 16.740 12.209) 22.126 10.199 ( -4.302 13.575 -9.973) 17.385 10.283 ( -3.654 -13.449 9.467) 16.848 10.469 ( -0.352 -11.107 -7.791) 13.571 11.468 ( 8.389 7.096 6.125) 12.579 11.554 ( 7.413 4.570 -0.853) 8.750 11.648 ( 6.590 -5.861 0.803) 8.856 11.692 ( 4.302 -4.087 -2.176) 6.321 12.433 ( 2.765 9.816 5.431) 11.554 12.518 ( -1.941 8.019 -2.493) 8.619 12.643 ( 2.271 -8.382 3.747) 9.458 12.730 ( -2.451 -10.289 -3.937) 11.286 13.188 ( 9.979 5.467 3.005) 11.769 13.330 ( 8.197 -8.114 1.450) 11.624 13.355 ( 6.469 4.528 -13.221) 15.399 13.462 ( 3.959 -5.750 -10.703) 12.779 14.231 ( -4.718 14.874 13.375) 20.552 14.390 ( -7.721 5.832 3.463) 10.277 14.505 ( -6.780 3.378 5.518) 9.372 14.555 ( -9.834 -6.781 -0.940) 11.982 15.104 ( 1.370 8.738 -4.195) 9.789 15.140 ( -3.468 -0.034 -6.429) 7.305 15.211 ( 1.068 -6.446 2.324) 6.935 15.358 ( 0.955 -12.415 -10.309) 16.166 16.386 ( -5.455 4.690 7.271) 10.228 16.527 ( -6.214 -7.571 5.193) 11.085 16.621 ( -8.284 1.069 -14.513) 16.745 16.701 ( -6.702 -5.665 -10.637) 13.790 20.894 ( 9.380 9.735 28.456) 31.504 21.094 ( 8.402 -9.410 26.409) 29.268 21.426 ( 6.685 6.560 -25.389) 27.061 21.565 ( 6.981 -6.544 -21.155) 23.218 22.398 ( -13.283 2.568 9.593) 16.585 22.426 ( -12.039 0.124 9.054) 15.064 22.586 ( -9.184 1.951 -9.779) 13.557 22.606 ( -8.981 0.156 -9.967) 13.417 ======================= Grid point 201 (74/75) ======================= q-point: ( 0.33 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 9.296 5.682 7.891) 13.453 3.066 ( 10.282 -4.751 4.599) 12.225 3.081 ( 4.072 5.844 -6.894) 9.913 3.209 ( 4.385 -5.852 -9.388) 11.900 3.519 ( 13.889 9.791 21.870) 27.696 3.743 ( 15.808 -8.677 17.846) 25.370 3.885 ( 3.005 5.054 -11.631) 13.032 3.990 ( 5.712 -1.622 -5.025) 7.779 4.246 ( -6.668 9.174 9.223) 14.618 4.400 ( -6.777 -2.021 9.396) 11.761 4.600 ( -11.961 2.717 -14.083) 18.675 4.741 ( -12.120 -8.262 -15.364) 21.242 5.236 ( -1.145 3.615 11.608) 12.212 5.334 ( -0.713 -6.932 12.886) 14.649 5.424 ( -4.139 5.361 -7.235) 9.910 5.509 ( -3.692 -1.753 -2.427) 4.753 5.847 ( 6.700 7.309 5.891) 11.533 5.890 ( 11.429 3.143 -1.776) 11.986 6.055 ( 6.779 -6.131 0.697) 9.166 6.117 ( 7.581 -7.664 -5.854) 12.266 6.780 ( -4.475 8.447 7.551) 12.182 6.918 ( -10.529 3.903 -0.551) 11.242 7.007 ( -6.008 -8.888 6.214) 12.397 7.043 ( -8.386 -4.703 6.778) 11.763 7.398 ( 0.775 5.754 14.665) 15.773 7.553 ( -9.200 -1.374 -5.624) 10.870 7.624 ( 4.535 3.515 -12.580) 13.827 7.735 ( 2.163 -3.804 -9.932) 10.854 7.903 ( -8.778 -0.379 14.324) 16.804 7.997 ( -10.545 -8.888 0.005) 13.791 8.138 ( -12.944 -0.417 -9.270) 15.927 8.168 ( -8.012 -2.148 -10.462) 13.352 9.015 ( 12.169 6.950 9.372) 16.859 9.073 ( 11.215 4.230 7.764) 14.281 9.268 ( 15.826 -1.574 -3.188) 16.220 9.350 ( 13.440 -6.173 -6.720) 16.245 9.833 ( -3.431 17.052 13.572) 22.062 10.100 ( -6.086 13.246 -7.552) 16.417 10.189 ( -5.890 -11.196 7.822) 14.874 10.401 ( -6.789 -10.588 -9.171) 15.566 11.635 ( 8.168 4.138 8.089) 12.218 11.706 ( 7.401 -0.220 2.259) 7.741 11.776 ( 5.408 -3.057 1.374) 6.362 11.798 ( 5.530 -4.345 -1.920) 7.290 12.476 ( 1.356 7.580 0.974) 7.762 12.515 ( 1.744 7.174 -2.167) 7.694 12.636 ( -2.236 -6.910 -0.102) 7.264 12.664 ( -3.708 -7.274 -2.732) 8.610 13.422 ( 12.292 4.024 1.202) 12.989 13.504 ( 8.318 3.544 -7.310) 11.627 13.519 ( 10.201 -5.203 0.028) 11.452 13.597 ( 9.324 -5.132 -7.745) 13.163 14.100 ( -8.205 7.686 10.630) 15.473 14.203 ( -10.585 0.448 6.171) 12.261 14.328 ( -12.105 -0.462 -4.890) 13.064 14.336 ( -10.212 1.504 -1.017) 10.372 15.091 ( 0.323 6.078 0.605) 6.116 15.168 ( 3.563 10.688 -6.123) 12.823 15.242 ( 1.563 -6.368 6.120) 8.970 15.348 ( -2.145 -5.548 -3.959) 7.145 16.308 ( -1.850 0.219 0.750) 2.008 16.407 ( -5.290 -6.425 0.885) 8.369 16.460 ( -7.233 -0.418 -11.348) 13.463 16.559 ( -7.210 -7.563 -10.957) 15.141 21.111 ( 12.065 8.877 25.121) 29.247 21.280 ( 9.903 -6.865 23.740) 26.623 21.569 ( 6.846 6.053 -19.096) 21.170 21.702 ( 5.323 -6.102 -16.781) 18.632 22.121 ( -12.714 3.438 11.586) 17.541 22.178 ( -11.648 -1.669 10.512) 15.778 22.377 ( -11.184 1.588 -13.398) 17.524 22.409 ( -10.319 -1.117 -11.860) 15.761 ======================= Grid point 202 (75/75) ======================= q-point: ( 0.44 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 7.432 3.632 3.943) 9.164 3.166 ( 3.336 2.545 -0.091) 4.197 3.217 ( 4.027 -5.116 -1.878) 6.776 3.263 ( -0.308 -6.005 -5.135) 7.907 3.783 ( 11.562 12.289 14.740) 22.405 3.898 ( 0.295 9.410 6.735) 11.576 3.972 ( 2.908 -2.119 8.712) 9.426 4.053 ( -3.564 -3.895 3.158) 6.152 4.185 ( 8.560 2.223 4.978) 10.149 4.304 ( -1.948 -4.658 2.901) 5.823 4.355 ( -9.885 3.150 -7.839) 13.003 4.473 ( -14.084 -5.684 -8.646) 17.476 5.300 ( 5.724 2.201 5.243) 8.068 5.344 ( 2.110 -1.411 3.820) 4.586 5.375 ( -2.157 3.194 -2.396) 4.538 5.431 ( -4.741 -0.909 -1.417) 5.031 6.075 ( 15.542 9.207 4.395) 18.592 6.147 ( 12.490 5.603 -2.921) 13.997 6.267 ( 11.381 -7.227 0.310) 13.485 6.313 ( 7.989 -4.283 -4.014) 9.913 6.545 ( -13.260 8.538 0.255) 15.773 6.595 ( -11.708 -0.038 -2.796) 12.037 6.705 ( -16.551 -8.115 4.256) 18.918 6.818 ( -17.891 -14.130 -5.738) 23.509 7.481 ( 7.087 5.381 14.760) 17.234 7.532 ( 5.113 0.557 15.857) 16.670 7.673 ( -4.527 -1.793 4.252) 6.464 7.712 ( -7.835 -3.970 14.301) 16.783 7.811 ( 3.645 1.828 -12.018) 12.691 7.890 ( 1.587 -2.827 -11.834) 12.270 7.953 ( -5.006 -0.782 -16.442) 17.205 8.026 ( -6.435 -5.174 -14.113) 16.351 9.233 ( 10.917 11.288 13.390) 20.638 9.349 ( 11.096 5.477 7.956) 14.711 9.437 ( -3.842 7.281 7.279) 10.989 9.485 ( 3.254 -1.884 -1.014) 3.894 9.927 ( 11.840 0.861 -1.163) 11.928 9.988 ( -1.814 5.173 -1.776) 5.763 10.051 ( -7.183 -3.348 1.566) 8.078 10.203 ( -12.432 -7.525 -8.184) 16.678 11.777 ( 5.361 1.720 7.846) 9.657 11.822 ( 2.186 -0.396 4.806) 5.295 11.851 ( 2.814 -3.546 2.280) 5.069 11.876 ( 1.418 -4.371 -0.276) 4.603 12.513 ( 2.598 3.941 -0.740) 4.778 12.553 ( 1.596 1.884 -3.880) 4.599 12.580 ( -3.269 -1.020 -2.308) 4.129 12.594 ( -2.506 -3.477 -3.553) 5.568 13.644 ( 9.723 3.180 2.703) 10.581 13.711 ( 10.969 2.271 -4.071) 11.919 13.717 ( 7.984 -2.830 2.251) 8.765 13.787 ( 5.644 -4.435 -3.765) 8.106 13.943 ( -3.198 3.438 4.417) 6.446 13.996 ( -8.415 -0.203 3.709) 9.198 14.072 ( -12.160 1.074 -6.186) 13.685 14.114 ( -11.574 -1.142 -4.281) 12.393 15.146 ( 4.603 8.554 5.088) 10.965 15.231 ( -0.129 5.717 1.649) 5.951 15.250 ( 0.193 3.473 0.205) 3.484 15.288 ( -2.424 -1.350 0.270) 2.788 16.311 ( 1.110 -4.230 -2.984) 5.294 16.334 ( -1.792 -2.399 -6.500) 7.156 16.356 ( -1.649 -5.685 -7.054) 9.209 16.424 ( -5.889 -7.967 -10.329) 14.312 21.374 ( 13.877 6.812 20.450) 25.636 21.484 ( 10.048 -3.121 18.963) 21.686 21.631 ( -4.757 3.032 4.530) 7.235 21.652 ( -9.413 1.675 6.906) 11.794 22.024 ( 2.497 -0.868 -4.930) 5.594 22.043 ( 2.502 -2.091 -6.815) 7.555 22.159 ( -9.829 0.927 -14.554) 17.587 22.203 ( -9.780 -2.739 -13.266) 16.708 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 1146.042 658.345 1310.713 0.000 0.000 -0.000 3/29160 20.0 618.144 670.680 614.551 0.000 0.000 0.000 3/29160 30.0 238.867 290.632 267.053 0.000 0.000 0.000 3/29160 40.0 128.298 151.794 147.886 0.000 0.000 0.000 3/29160 50.0 82.915 94.366 97.439 0.000 0.000 0.000 3/29160 60.0 59.621 65.706 71.074 0.000 0.000 0.000 3/29160 70.0 45.824 49.256 55.112 0.000 0.000 0.000 3/29160 80.0 36.838 38.854 44.508 0.000 0.000 0.000 3/29160 90.0 30.585 31.801 37.021 0.000 0.000 0.000 3/29160 100.0 26.020 26.763 31.502 0.000 0.000 0.000 3/29160 110.0 22.562 23.015 27.300 0.000 0.000 0.000 3/29160 120.0 19.868 20.136 24.017 0.000 0.000 0.000 3/29160 130.0 17.718 17.866 21.398 0.000 0.000 0.000 3/29160 140.0 15.970 16.038 19.269 0.000 0.000 0.000 3/29160 150.0 14.526 14.538 17.512 0.000 0.000 0.000 3/29160 160.0 13.314 13.289 16.042 0.000 0.000 0.000 3/29160 170.0 12.287 12.234 14.797 0.000 0.000 0.000 3/29160 180.0 11.405 11.332 13.732 0.000 0.000 0.000 3/29160 190.0 10.640 10.554 12.810 0.000 0.000 0.000 3/29160 200.0 9.973 9.876 12.006 0.000 0.000 0.000 3/29160 210.0 9.385 9.280 11.300 0.000 0.000 0.000 3/29160 220.0 8.863 8.753 10.674 0.000 0.000 0.000 3/29160 230.0 8.398 8.283 10.115 0.000 0.000 0.000 3/29160 240.0 7.980 7.862 9.615 0.000 0.000 0.000 3/29160 250.0 7.602 7.482 9.163 0.000 0.000 0.000 3/29160 260.0 7.260 7.138 8.754 0.000 0.000 0.000 3/29160 270.0 6.948 6.825 8.381 0.000 0.000 0.000 3/29160 280.0 6.663 6.539 8.040 0.000 0.000 0.000 3/29160 290.0 6.400 6.276 7.727 0.000 0.000 0.000 3/29160 300.0 6.159 6.035 7.438 0.000 0.000 0.000 3/29160 310.0 5.935 5.811 7.171 0.000 0.000 0.000 3/29160 320.0 5.728 5.604 6.923 0.000 0.000 0.000 3/29160 330.0 5.535 5.412 6.693 0.000 0.000 0.000 3/29160 340.0 5.356 5.233 6.478 0.000 0.000 0.000 3/29160 350.0 5.187 5.066 6.277 0.000 0.000 0.000 3/29160 360.0 5.030 4.909 6.088 0.000 0.000 0.000 3/29160 370.0 4.882 4.762 5.911 0.000 0.000 0.000 3/29160 380.0 4.743 4.624 5.745 0.000 0.000 0.000 3/29160 390.0 4.611 4.493 5.587 0.000 0.000 0.000 3/29160 400.0 4.487 4.371 5.439 0.000 0.000 0.000 3/29160 410.0 4.370 4.254 5.298 0.000 0.000 0.000 3/29160 420.0 4.259 4.144 5.165 0.000 0.000 0.000 3/29160 430.0 4.153 4.040 5.038 0.000 0.000 0.000 3/29160 440.0 4.053 3.941 4.918 0.000 0.000 0.000 3/29160 450.0 3.958 3.847 4.803 0.000 0.000 0.000 3/29160 460.0 3.867 3.757 4.694 0.000 0.000 0.000 3/29160 470.0 3.780 3.672 4.590 0.000 0.000 0.000 3/29160 480.0 3.697 3.590 4.490 0.000 0.000 0.000 3/29160 490.0 3.618 3.512 4.395 0.000 0.000 0.000 3/29160 500.0 3.542 3.437 4.304 0.000 0.000 0.000 3/29160 510.0 3.470 3.366 4.216 0.000 0.000 0.000 3/29160 520.0 3.400 3.298 4.133 0.000 0.000 0.000 3/29160 530.0 3.333 3.232 4.052 0.000 0.000 0.000 3/29160 540.0 3.269 3.169 3.975 0.000 0.000 0.000 3/29160 550.0 3.207 3.108 3.900 0.000 0.000 0.000 3/29160 560.0 3.148 3.050 3.829 0.000 0.000 0.000 3/29160 570.0 3.091 2.994 3.760 0.000 0.000 0.000 3/29160 580.0 3.036 2.940 3.693 0.000 0.000 0.000 3/29160 590.0 2.983 2.888 3.629 0.000 0.000 0.000 3/29160 600.0 2.931 2.838 3.567 0.000 0.000 0.000 3/29160 610.0 2.882 2.789 3.507 0.000 0.000 0.000 3/29160 620.0 2.834 2.742 3.449 0.000 0.000 0.000 3/29160 630.0 2.788 2.697 3.393 0.000 0.000 0.000 3/29160 640.0 2.743 2.653 3.339 0.000 0.000 0.000 3/29160 650.0 2.700 2.611 3.287 0.000 0.000 0.000 3/29160 660.0 2.658 2.570 3.236 0.000 0.000 0.000 3/29160 670.0 2.617 2.530 3.187 0.000 0.000 0.000 3/29160 680.0 2.578 2.492 3.139 0.000 0.000 0.000 3/29160 690.0 2.539 2.455 3.093 0.000 0.000 0.000 3/29160 700.0 2.502 2.419 3.048 0.000 0.000 0.000 3/29160 710.0 2.466 2.383 3.005 0.000 0.000 0.000 3/29160 720.0 2.431 2.349 2.962 0.000 0.000 0.000 3/29160 730.0 2.397 2.316 2.921 0.000 0.000 0.000 3/29160 740.0 2.364 2.284 2.881 0.000 0.000 0.000 3/29160 750.0 2.332 2.253 2.842 0.000 0.000 0.000 3/29160 760.0 2.301 2.222 2.804 0.000 0.000 0.000 3/29160 770.0 2.270 2.193 2.767 0.000 0.000 0.000 3/29160 780.0 2.241 2.164 2.731 0.000 0.000 0.000 3/29160 790.0 2.212 2.136 2.696 0.000 0.000 0.000 3/29160 800.0 2.184 2.108 2.662 0.000 0.000 0.000 3/29160 810.0 2.156 2.082 2.629 0.000 0.000 0.000 3/29160 820.0 2.130 2.056 2.597 0.000 0.000 0.000 3/29160 830.0 2.104 2.031 2.565 0.000 0.000 0.000 3/29160 840.0 2.078 2.006 2.534 0.000 0.000 0.000 3/29160 850.0 2.053 1.982 2.504 0.000 0.000 0.000 3/29160 860.0 2.029 1.958 2.475 0.000 0.000 0.000 3/29160 870.0 2.006 1.935 2.446 0.000 0.000 0.000 3/29160 880.0 1.982 1.913 2.418 0.000 0.000 0.000 3/29160 890.0 1.960 1.891 2.390 0.000 0.000 0.000 3/29160 900.0 1.938 1.869 2.364 0.000 0.000 0.000 3/29160 910.0 1.916 1.849 2.337 0.000 0.000 0.000 3/29160 920.0 1.895 1.828 2.312 0.000 0.000 0.000 3/29160 930.0 1.875 1.808 2.287 0.000 0.000 0.000 3/29160 940.0 1.854 1.789 2.262 0.000 0.000 0.000 3/29160 950.0 1.835 1.769 2.238 0.000 0.000 0.000 3/29160 960.0 1.815 1.751 2.215 0.000 0.000 0.000 3/29160 970.0 1.796 1.732 2.192 0.000 0.000 0.000 3/29160 980.0 1.778 1.714 2.169 0.000 0.000 0.000 3/29160 990.0 1.760 1.697 2.147 0.000 0.000 0.000 3/29160 1000.0 1.742 1.680 2.126 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m959.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:21:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|