----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:13:03]------------------------- Compiled with OpenMP support (max 32 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.678670990264469 0.000000000000000 0.000000000000000 b 0.000000000000000 5.539968950000000 0.000000000000000 c -1.375871549764763 0.000000000000000 7.579905259462904 Atomic positions (fractional): *1 O 0.12007914923910 0.02097656138367 0.67204532139838 15.999 2 O 0.87992085076090 0.52097656138367 0.82795467860162 15.999 3 O 0.87992085076090 0.97902343861633 0.32795467860162 15.999 4 O 0.12007914923910 0.47902343861633 0.17204532139838 15.999 *5 O 0.33234025078131 0.36033529520906 0.94422160678188 15.999 6 O 0.66765974921869 0.86033529520906 0.55577839321812 15.999 7 O 0.66765974921869 0.63966470479094 0.05577839321812 15.999 8 O 0.33234025078131 0.13966470479094 0.44422160678188 15.999 *9 O 0.16912088412749 0.00540118712404 0.13026464390226 15.999 10 O 0.83087911587251 0.50540118712404 0.36973535609774 15.999 11 O 0.83087911587251 0.99459881287596 0.86973535609774 15.999 12 O 0.16912088412749 0.49459881287596 0.63026464390226 15.999 *13 O 0.56221090387164 0.09073455468643 0.20188398273039 15.999 14 O 0.43778909612836 0.59073455468643 0.29811601726961 15.999 15 O 0.43778909612836 0.90926544531357 0.79811601726961 15.999 16 O 0.56221090387164 0.40926544531357 0.70188398273039 15.999 *17 Sb 0.33641640894480 0.23103131258713 0.69808755139978 121.760 18 Sb 0.66358359105520 0.73103131258713 0.80191244860022 121.760 19 Sb 0.66358359105520 0.76896868741287 0.30191244860022 121.760 20 Sb 0.33641640894480 0.26896868741287 0.19808755139978 121.760 *21 Pr 0.14983686946691 0.72705166428747 0.89993762201726 140.908 22 Pr 0.85016313053309 0.22705166428747 0.60006237798274 140.908 23 Pr 0.85016313053309 0.27294833571253 0.10006237798274 140.908 24 Pr 0.14983686946691 0.77294833571253 0.39993762201726 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.678670990264469 0.000000000000000 0.000000000000000 b 0.000000000000000 5.539968950000000 0.000000000000000 c -1.375871549764763 0.000000000000000 7.579905259462904 Atomic positions (fractional): *1 O 0.12007914923910 0.02097656138367 0.67204532139838 15.999 > 1 2 O 0.87992085076090 0.52097656138367 0.82795467860162 15.999 > 2 3 O 0.87992085076090 0.97902343861633 0.32795467860162 15.999 > 3 4 O 0.12007914923910 0.47902343861633 0.17204532139838 15.999 > 4 *5 O 0.33234025078131 0.36033529520906 0.94422160678188 15.999 > 5 6 O 0.66765974921869 0.86033529520906 0.55577839321812 15.999 > 6 7 O 0.66765974921869 0.63966470479094 0.05577839321812 15.999 > 7 8 O 0.33234025078131 0.13966470479094 0.44422160678188 15.999 > 8 *9 O 0.16912088412749 0.00540118712404 0.13026464390226 15.999 > 9 10 O 0.83087911587251 0.50540118712404 0.36973535609774 15.999 > 10 11 O 0.83087911587251 0.99459881287596 0.86973535609774 15.999 > 11 12 O 0.16912088412749 0.49459881287596 0.63026464390226 15.999 > 12 *13 O 0.56221090387164 0.09073455468643 0.20188398273039 15.999 > 13 14 O 0.43778909612836 0.59073455468643 0.29811601726961 15.999 > 14 15 O 0.43778909612836 0.90926544531357 0.79811601726961 15.999 > 15 16 O 0.56221090387164 0.40926544531357 0.70188398273039 15.999 > 16 *17 Sb 0.33641640894480 0.23103131258713 0.69808755139978 121.760 > 17 18 Sb 0.66358359105520 0.73103131258713 0.80191244860022 121.760 > 18 19 Sb 0.66358359105520 0.76896868741287 0.30191244860022 121.760 > 19 20 Sb 0.33641640894480 0.26896868741287 0.19808755139978 121.760 > 20 *21 Pr 0.14983686946691 0.72705166428747 0.89993762201726 140.908 > 21 22 Pr 0.85016313053309 0.22705166428747 0.60006237798274 140.908 > 22 23 Pr 0.85016313053309 0.27294833571253 0.10006237798274 140.908 > 23 24 Pr 0.14983686946691 0.77294833571253 0.39993762201726 140.908 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.357341980528938 0.000000000000000 0.000000000000000 b 0.000000000000000 11.079937899999999 0.000000000000000 c -1.375871549764763 0.000000000000000 7.579905259462904 Atomic positions (fractional): *1 O 0.06003957461955 0.01048828069184 0.67204532139838 15.999 > 1 2 O 0.56003957461955 0.01048828069184 0.67204532139838 15.999 > 1 3 O 0.06003957461955 0.51048828069184 0.67204532139838 15.999 > 1 4 O 0.56003957461955 0.51048828069184 0.67204532139838 15.999 > 1 5 O 0.43996042538045 0.26048828069184 0.82795467860162 15.999 > 2 6 O 0.93996042538045 0.26048828069184 0.82795467860162 15.999 > 2 7 O 0.43996042538045 0.76048828069184 0.82795467860162 15.999 > 2 8 O 0.93996042538045 0.76048828069184 0.82795467860162 15.999 > 2 9 O 0.43996042538045 0.48951171930816 0.32795467860162 15.999 > 3 10 O 0.93996042538045 0.48951171930816 0.32795467860162 15.999 > 3 11 O 0.43996042538045 0.98951171930816 0.32795467860162 15.999 > 3 12 O 0.93996042538045 0.98951171930816 0.32795467860162 15.999 > 3 13 O 0.06003957461955 0.23951171930816 0.17204532139838 15.999 > 4 14 O 0.56003957461955 0.23951171930816 0.17204532139838 15.999 > 4 15 O 0.06003957461955 0.73951171930816 0.17204532139838 15.999 > 4 16 O 0.56003957461955 0.73951171930816 0.17204532139838 15.999 > 4 *17 O 0.16617012539066 0.18016764760453 0.94422160678188 15.999 > 5 18 O 0.66617012539066 0.18016764760453 0.94422160678188 15.999 > 5 19 O 0.16617012539066 0.68016764760453 0.94422160678188 15.999 > 5 20 O 0.66617012539066 0.68016764760453 0.94422160678188 15.999 > 5 21 O 0.33382987460934 0.43016764760453 0.55577839321812 15.999 > 6 22 O 0.83382987460934 0.43016764760453 0.55577839321812 15.999 > 6 23 O 0.33382987460934 0.93016764760453 0.55577839321812 15.999 > 6 24 O 0.83382987460934 0.93016764760453 0.55577839321812 15.999 > 6 25 O 0.33382987460934 0.31983235239547 0.05577839321812 15.999 > 7 26 O 0.83382987460934 0.31983235239547 0.05577839321812 15.999 > 7 27 O 0.33382987460934 0.81983235239547 0.05577839321812 15.999 > 7 28 O 0.83382987460934 0.81983235239547 0.05577839321812 15.999 > 7 29 O 0.16617012539066 0.06983235239547 0.44422160678188 15.999 > 8 30 O 0.66617012539066 0.06983235239547 0.44422160678188 15.999 > 8 31 O 0.16617012539066 0.56983235239547 0.44422160678188 15.999 > 8 32 O 0.66617012539066 0.56983235239547 0.44422160678188 15.999 > 8 *33 O 0.08456044206374 0.00270059356202 0.13026464390226 15.999 > 9 34 O 0.58456044206375 0.00270059356202 0.13026464390226 15.999 > 9 35 O 0.08456044206374 0.50270059356202 0.13026464390226 15.999 > 9 36 O 0.58456044206375 0.50270059356202 0.13026464390226 15.999 > 9 37 O 0.41543955793625 0.25270059356202 0.36973535609774 15.999 > 10 38 O 0.91543955793625 0.25270059356202 0.36973535609774 15.999 > 10 39 O 0.41543955793625 0.75270059356202 0.36973535609774 15.999 > 10 40 O 0.91543955793625 0.75270059356202 0.36973535609774 15.999 > 10 41 O 0.41543955793625 0.49729940643798 0.86973535609774 15.999 > 11 42 O 0.91543955793625 0.49729940643798 0.86973535609774 15.999 > 11 43 O 0.41543955793625 0.99729940643798 0.86973535609774 15.999 > 11 44 O 0.91543955793625 0.99729940643798 0.86973535609774 15.999 > 11 45 O 0.08456044206374 0.24729940643798 0.63026464390226 15.999 > 12 46 O 0.58456044206375 0.24729940643798 0.63026464390226 15.999 > 12 47 O 0.08456044206374 0.74729940643798 0.63026464390226 15.999 > 12 48 O 0.58456044206375 0.74729940643798 0.63026464390226 15.999 > 12 *49 O 0.28110545193582 0.04536727734321 0.20188398273039 15.999 > 13 50 O 0.78110545193582 0.04536727734321 0.20188398273039 15.999 > 13 51 O 0.28110545193582 0.54536727734321 0.20188398273039 15.999 > 13 52 O 0.78110545193582 0.54536727734321 0.20188398273039 15.999 > 13 53 O 0.21889454806418 0.29536727734321 0.29811601726961 15.999 > 14 54 O 0.71889454806418 0.29536727734321 0.29811601726961 15.999 > 14 55 O 0.21889454806418 0.79536727734321 0.29811601726961 15.999 > 14 56 O 0.71889454806418 0.79536727734321 0.29811601726961 15.999 > 14 57 O 0.21889454806418 0.45463272265679 0.79811601726961 15.999 > 15 58 O 0.71889454806418 0.45463272265679 0.79811601726961 15.999 > 15 59 O 0.21889454806418 0.95463272265679 0.79811601726961 15.999 > 15 60 O 0.71889454806418 0.95463272265679 0.79811601726961 15.999 > 15 61 O 0.28110545193582 0.20463272265679 0.70188398273039 15.999 > 16 62 O 0.78110545193582 0.20463272265679 0.70188398273039 15.999 > 16 63 O 0.28110545193582 0.70463272265679 0.70188398273039 15.999 > 16 64 O 0.78110545193582 0.70463272265679 0.70188398273039 15.999 > 16 *65 Sb 0.16820820447240 0.11551565629356 0.69808755139978 121.760 > 17 66 Sb 0.66820820447240 0.11551565629356 0.69808755139978 121.760 > 17 67 Sb 0.16820820447240 0.61551565629356 0.69808755139978 121.760 > 17 68 Sb 0.66820820447240 0.61551565629356 0.69808755139978 121.760 > 17 69 Sb 0.33179179552760 0.36551565629356 0.80191244860022 121.760 > 18 70 Sb 0.83179179552760 0.36551565629356 0.80191244860022 121.760 > 18 71 Sb 0.33179179552760 0.86551565629356 0.80191244860022 121.760 > 18 72 Sb 0.83179179552760 0.86551565629356 0.80191244860022 121.760 > 18 73 Sb 0.33179179552760 0.38448434370644 0.30191244860022 121.760 > 19 74 Sb 0.83179179552760 0.38448434370644 0.30191244860022 121.760 > 19 75 Sb 0.33179179552760 0.88448434370644 0.30191244860022 121.760 > 19 76 Sb 0.83179179552760 0.88448434370644 0.30191244860022 121.760 > 19 77 Sb 0.16820820447240 0.13448434370644 0.19808755139978 121.760 > 20 78 Sb 0.66820820447240 0.13448434370644 0.19808755139978 121.760 > 20 79 Sb 0.16820820447240 0.63448434370644 0.19808755139978 121.760 > 20 80 Sb 0.66820820447240 0.63448434370644 0.19808755139978 121.760 > 20 *81 Pr 0.07491843473345 0.36352583214373 0.89993762201726 140.908 > 21 82 Pr 0.57491843473345 0.36352583214373 0.89993762201726 140.908 > 21 83 Pr 0.07491843473345 0.86352583214373 0.89993762201726 140.908 > 21 84 Pr 0.57491843473345 0.86352583214373 0.89993762201726 140.908 > 21 85 Pr 0.42508156526655 0.11352583214373 0.60006237798274 140.908 > 22 86 Pr 0.92508156526655 0.11352583214373 0.60006237798274 140.908 > 22 87 Pr 0.42508156526655 0.61352583214373 0.60006237798274 140.908 > 22 88 Pr 0.92508156526655 0.61352583214373 0.60006237798274 140.908 > 22 89 Pr 0.42508156526655 0.13647416785627 0.10006237798274 140.908 > 23 90 Pr 0.92508156526655 0.13647416785627 0.10006237798274 140.908 > 23 91 Pr 0.42508156526655 0.63647416785627 0.10006237798274 140.908 > 23 92 Pr 0.92508156526655 0.63647416785627 0.10006237798274 140.908 > 23 93 Pr 0.07491843473345 0.38647416785627 0.39993762201726 140.908 > 24 94 Pr 0.57491843473345 0.38647416785627 0.39993762201726 140.908 > 24 95 Pr 0.07491843473345 0.88647416785627 0.39993762201726 140.908 > 24 96 Pr 0.57491843473345 0.88647416785627 0.39993762201726 140.908 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4480145 0.0000000 0.0582332 0.0000000 4.6540423 0.0000000 0.0582345 0.0000000 4.6289893 -------------------------- Born effective charges -------------------------- 1 O -2.6478669 0.0385915 -0.1837484 0.0279449 -2.4024324 0.2511072 -0.0835336 0.2332766 -2.1123376 2 O -2.6478669 -0.0385915 -0.1837484 -0.0279449 -2.4024324 -0.2511072 -0.0835336 -0.2332766 -2.1123376 3 O -2.6478669 0.0385915 -0.1837484 0.0279449 -2.4024324 0.2511072 -0.0835336 0.2332766 -2.1123376 4 O -2.6478669 -0.0385915 -0.1837484 -0.0279449 -2.4024324 -0.2511072 -0.0835336 -0.2332766 -2.1123376 5 O -1.5006912 0.3898257 0.2973643 0.3529539 -1.9858128 0.1377984 0.2534846 -0.0223675 -3.1197095 6 O -1.5006912 -0.3898257 0.2973643 -0.3529539 -1.9858128 -0.1377984 0.2534846 0.0223675 -3.1197095 7 O -1.5006912 0.3898257 0.2973643 0.3529539 -1.9858128 0.1377984 0.2534846 -0.0223675 -3.1197095 8 O -1.5006912 -0.3898257 0.2973643 -0.3529539 -1.9858128 -0.1377984 0.2534846 0.0223675 -3.1197095 9 O -1.8359975 -0.2760304 -0.0421350 -0.2419050 -2.5915701 -0.3414950 -0.0335900 -0.3690323 -2.5064638 10 O -1.8359975 0.2760304 -0.0421350 0.2419050 -2.5915701 0.3414950 -0.0335900 0.3690323 -2.5064638 11 O -1.8359975 -0.2760304 -0.0421350 -0.2419050 -2.5915701 -0.3414950 -0.0335900 -0.3690323 -2.5064638 12 O -1.8359975 0.2760304 -0.0421350 0.2419050 -2.5915701 0.3414950 -0.0335900 0.3690323 -2.5064638 13 O -2.5375431 0.7043607 -0.0283293 0.5024604 -2.4229364 0.3854356 -0.0362049 0.3952950 -1.4686051 14 O -2.5375431 -0.7043607 -0.0283293 -0.5024604 -2.4229364 -0.3854356 -0.0362049 -0.3952950 -1.4686051 15 O -2.5375431 0.7043607 -0.0283293 0.5024604 -2.4229364 0.3854356 -0.0362049 0.3952950 -1.4686051 16 O -2.5375431 -0.7043607 -0.0283293 -0.5024604 -2.4229364 -0.3854356 -0.0362049 -0.3952950 -1.4686051 17 Sb 4.7200652 -0.2581306 0.0330312 0.3320394 5.0231397 -0.0714843 0.0177969 0.6649974 5.1308770 18 Sb 4.7200652 0.2581306 0.0330312 -0.3320394 5.0231397 0.0714843 0.0177969 -0.6649974 5.1308770 19 Sb 4.7200652 -0.2581306 0.0330312 0.3320394 5.0231397 -0.0714843 0.0177969 0.6649974 5.1308770 20 Sb 4.7200652 0.2581306 0.0330312 -0.3320394 5.0231397 0.0714843 0.0177969 -0.6649974 5.1308770 21 Pr 3.8020335 0.1614848 -0.0761828 -0.0119367 4.3796120 0.0305414 -0.1179529 0.0092209 4.0762391 22 Pr 3.8020335 -0.1614848 -0.0761828 0.0119367 4.3796120 -0.0305414 -0.1179529 -0.0092209 4.0762391 23 Pr 3.8020335 0.1614848 -0.0761828 -0.0119367 4.3796120 0.0305414 -0.1179529 0.0092209 4.0762391 24 Pr 3.8020335 -0.1614848 -0.0761828 0.0119367 4.3796120 -0.0305414 -0.1179529 -0.0092209 4.0762391 ---------------------------------------------------------------------------- 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: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 0.612 Solver_block: 200 / 720 - Time: 0.555 Solver_block: 300 / 720 - Time: 0.556 Solver_block: 400 / 720 - Time: 0.554 Solver_block: 500 / 720 - Time: 0.556 Solver_block: 600 / 720 - Time: 0.556 Solver_block: 700 / 720 - Time: 0.555 Solver_block: 720 / 720 - Time: 0.157 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.192 --------------------------------- 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: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:13:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:13:37]------------------------- Compiled with OpenMP support (max 32 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.678670990264469 0.000000000000000 0.000000000000000 b 0.000000000000000 5.539968950000000 0.000000000000000 c -1.375871549764763 0.000000000000000 7.579905259462904 Atomic positions (fractional): 1 O 0.12007914923910 0.02097656138367 0.67204532139838 15.999 2 O 0.87992085076090 0.52097656138367 0.82795467860162 15.999 3 O 0.87992085076090 0.97902343861633 0.32795467860162 15.999 4 O 0.12007914923910 0.47902343861633 0.17204532139838 15.999 5 O 0.33234025078131 0.36033529520906 0.94422160678188 15.999 6 O 0.66765974921869 0.86033529520906 0.55577839321812 15.999 7 O 0.66765974921869 0.63966470479094 0.05577839321812 15.999 8 O 0.33234025078131 0.13966470479094 0.44422160678188 15.999 9 O 0.16912088412749 0.00540118712404 0.13026464390226 15.999 10 O 0.83087911587251 0.50540118712404 0.36973535609774 15.999 11 O 0.83087911587251 0.99459881287596 0.86973535609774 15.999 12 O 0.16912088412749 0.49459881287596 0.63026464390226 15.999 13 O 0.56221090387164 0.09073455468643 0.20188398273039 15.999 14 O 0.43778909612836 0.59073455468643 0.29811601726961 15.999 15 O 0.43778909612836 0.90926544531357 0.79811601726961 15.999 16 O 0.56221090387164 0.40926544531357 0.70188398273039 15.999 17 Sb 0.33641640894480 0.23103131258713 0.69808755139978 121.760 18 Sb 0.66358359105520 0.73103131258713 0.80191244860022 121.760 19 Sb 0.66358359105520 0.76896868741287 0.30191244860022 121.760 20 Sb 0.33641640894480 0.26896868741287 0.19808755139978 121.760 21 Pr 0.14983686946691 0.72705166428747 0.89993762201726 140.908 22 Pr 0.85016313053309 0.22705166428747 0.60006237798274 140.908 23 Pr 0.85016313053309 0.27294833571253 0.10006237798274 140.908 24 Pr 0.14983686946691 0.77294833571253 0.39993762201726 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.357341980528938 0.000000000000000 0.000000000000000 b 0.000000000000000 11.079937899999999 0.000000000000000 c -1.375871549764763 0.000000000000000 7.579905259462904 Atomic positions (fractional): 1 O 0.06003957461955 0.01048828069184 0.67204532139838 15.999 > 1 2 O 0.56003957461955 0.01048828069184 0.67204532139838 15.999 > 1 3 O 0.06003957461955 0.51048828069184 0.67204532139838 15.999 > 1 4 O 0.56003957461955 0.51048828069184 0.67204532139838 15.999 > 1 5 O 0.43996042538045 0.26048828069184 0.82795467860162 15.999 > 5 6 O 0.93996042538045 0.26048828069184 0.82795467860162 15.999 > 5 7 O 0.43996042538045 0.76048828069184 0.82795467860162 15.999 > 5 8 O 0.93996042538045 0.76048828069184 0.82795467860162 15.999 > 5 9 O 0.43996042538045 0.48951171930816 0.32795467860162 15.999 > 9 10 O 0.93996042538045 0.48951171930816 0.32795467860162 15.999 > 9 11 O 0.43996042538045 0.98951171930816 0.32795467860162 15.999 > 9 12 O 0.93996042538045 0.98951171930816 0.32795467860162 15.999 > 9 13 O 0.06003957461955 0.23951171930816 0.17204532139838 15.999 > 13 14 O 0.56003957461955 0.23951171930816 0.17204532139838 15.999 > 13 15 O 0.06003957461955 0.73951171930816 0.17204532139838 15.999 > 13 16 O 0.56003957461955 0.73951171930816 0.17204532139838 15.999 > 13 17 O 0.16617012539066 0.18016764760453 0.94422160678188 15.999 > 17 18 O 0.66617012539066 0.18016764760453 0.94422160678188 15.999 > 17 19 O 0.16617012539066 0.68016764760453 0.94422160678188 15.999 > 17 20 O 0.66617012539066 0.68016764760453 0.94422160678188 15.999 > 17 21 O 0.33382987460934 0.43016764760453 0.55577839321812 15.999 > 21 22 O 0.83382987460934 0.43016764760453 0.55577839321812 15.999 > 21 23 O 0.33382987460934 0.93016764760453 0.55577839321812 15.999 > 21 24 O 0.83382987460934 0.93016764760453 0.55577839321812 15.999 > 21 25 O 0.33382987460934 0.31983235239547 0.05577839321812 15.999 > 25 26 O 0.83382987460934 0.31983235239547 0.05577839321812 15.999 > 25 27 O 0.33382987460934 0.81983235239547 0.05577839321812 15.999 > 25 28 O 0.83382987460934 0.81983235239547 0.05577839321812 15.999 > 25 29 O 0.16617012539066 0.06983235239547 0.44422160678188 15.999 > 29 30 O 0.66617012539066 0.06983235239547 0.44422160678188 15.999 > 29 31 O 0.16617012539066 0.56983235239547 0.44422160678188 15.999 > 29 32 O 0.66617012539066 0.56983235239547 0.44422160678188 15.999 > 29 33 O 0.08456044206374 0.00270059356202 0.13026464390226 15.999 > 33 34 O 0.58456044206375 0.00270059356202 0.13026464390226 15.999 > 33 35 O 0.08456044206374 0.50270059356202 0.13026464390226 15.999 > 33 36 O 0.58456044206375 0.50270059356202 0.13026464390226 15.999 > 33 37 O 0.41543955793625 0.25270059356202 0.36973535609774 15.999 > 37 38 O 0.91543955793625 0.25270059356202 0.36973535609774 15.999 > 37 39 O 0.41543955793625 0.75270059356202 0.36973535609774 15.999 > 37 40 O 0.91543955793625 0.75270059356202 0.36973535609774 15.999 > 37 41 O 0.41543955793625 0.49729940643798 0.86973535609774 15.999 > 41 42 O 0.91543955793625 0.49729940643798 0.86973535609774 15.999 > 41 43 O 0.41543955793625 0.99729940643798 0.86973535609774 15.999 > 41 44 O 0.91543955793625 0.99729940643798 0.86973535609774 15.999 > 41 45 O 0.08456044206374 0.24729940643798 0.63026464390226 15.999 > 45 46 O 0.58456044206375 0.24729940643798 0.63026464390226 15.999 > 45 47 O 0.08456044206374 0.74729940643798 0.63026464390226 15.999 > 45 48 O 0.58456044206375 0.74729940643798 0.63026464390226 15.999 > 45 49 O 0.28110545193582 0.04536727734321 0.20188398273039 15.999 > 49 50 O 0.78110545193582 0.04536727734321 0.20188398273039 15.999 > 49 51 O 0.28110545193582 0.54536727734321 0.20188398273039 15.999 > 49 52 O 0.78110545193582 0.54536727734321 0.20188398273039 15.999 > 49 53 O 0.21889454806418 0.29536727734321 0.29811601726961 15.999 > 53 54 O 0.71889454806418 0.29536727734321 0.29811601726961 15.999 > 53 55 O 0.21889454806418 0.79536727734321 0.29811601726961 15.999 > 53 56 O 0.71889454806418 0.79536727734321 0.29811601726961 15.999 > 53 57 O 0.21889454806418 0.45463272265679 0.79811601726961 15.999 > 57 58 O 0.71889454806418 0.45463272265679 0.79811601726961 15.999 > 57 59 O 0.21889454806418 0.95463272265679 0.79811601726961 15.999 > 57 60 O 0.71889454806418 0.95463272265679 0.79811601726961 15.999 > 57 61 O 0.28110545193582 0.20463272265679 0.70188398273039 15.999 > 61 62 O 0.78110545193582 0.20463272265679 0.70188398273039 15.999 > 61 63 O 0.28110545193582 0.70463272265679 0.70188398273039 15.999 > 61 64 O 0.78110545193582 0.70463272265679 0.70188398273039 15.999 > 61 65 Sb 0.16820820447240 0.11551565629356 0.69808755139978 121.760 > 65 66 Sb 0.66820820447240 0.11551565629356 0.69808755139978 121.760 > 65 67 Sb 0.16820820447240 0.61551565629356 0.69808755139978 121.760 > 65 68 Sb 0.66820820447240 0.61551565629356 0.69808755139978 121.760 > 65 69 Sb 0.33179179552760 0.36551565629356 0.80191244860022 121.760 > 69 70 Sb 0.83179179552760 0.36551565629356 0.80191244860022 121.760 > 69 71 Sb 0.33179179552760 0.86551565629356 0.80191244860022 121.760 > 69 72 Sb 0.83179179552760 0.86551565629356 0.80191244860022 121.760 > 69 73 Sb 0.33179179552760 0.38448434370644 0.30191244860022 121.760 > 73 74 Sb 0.83179179552760 0.38448434370644 0.30191244860022 121.760 > 73 75 Sb 0.33179179552760 0.88448434370644 0.30191244860022 121.760 > 73 76 Sb 0.83179179552760 0.88448434370644 0.30191244860022 121.760 > 73 77 Sb 0.16820820447240 0.13448434370644 0.19808755139978 121.760 > 77 78 Sb 0.66820820447240 0.13448434370644 0.19808755139978 121.760 > 77 79 Sb 0.16820820447240 0.63448434370644 0.19808755139978 121.760 > 77 80 Sb 0.66820820447240 0.63448434370644 0.19808755139978 121.760 > 77 81 Pr 0.07491843473345 0.36352583214373 0.89993762201726 140.908 > 81 82 Pr 0.57491843473345 0.36352583214373 0.89993762201726 140.908 > 81 83 Pr 0.07491843473345 0.86352583214373 0.89993762201726 140.908 > 81 84 Pr 0.57491843473345 0.86352583214373 0.89993762201726 140.908 > 81 85 Pr 0.42508156526655 0.11352583214373 0.60006237798274 140.908 > 85 86 Pr 0.92508156526655 0.11352583214373 0.60006237798274 140.908 > 85 87 Pr 0.42508156526655 0.61352583214373 0.60006237798274 140.908 > 85 88 Pr 0.92508156526655 0.61352583214373 0.60006237798274 140.908 > 85 89 Pr 0.42508156526655 0.13647416785627 0.10006237798274 140.908 > 89 90 Pr 0.92508156526655 0.13647416785627 0.10006237798274 140.908 > 89 91 Pr 0.42508156526655 0.63647416785627 0.10006237798274 140.908 > 89 92 Pr 0.92508156526655 0.63647416785627 0.10006237798274 140.908 > 89 93 Pr 0.07491843473345 0.38647416785627 0.39993762201726 140.908 > 93 94 Pr 0.57491843473345 0.38647416785627 0.39993762201726 140.908 > 93 95 Pr 0.07491843473345 0.88647416785627 0.39993762201726 140.908 > 93 96 Pr 0.57491843473345 0.88647416785627 0.39993762201726 140.908 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4480145 0.0000000 0.0582332 0.0000000 4.6540423 0.0000000 0.0582345 0.0000000 4.6289893 -------------------------- Born effective charges -------------------------- 1 O -2.6478669 0.0385915 -0.1837484 0.0279449 -2.4024324 0.2511072 -0.0835336 0.2332766 -2.1123376 2 O -2.6478669 -0.0385915 -0.1837484 -0.0279449 -2.4024324 -0.2511072 -0.0835336 -0.2332766 -2.1123376 3 O -2.6478669 0.0385915 -0.1837484 0.0279449 -2.4024324 0.2511072 -0.0835336 0.2332766 -2.1123376 4 O -2.6478669 -0.0385915 -0.1837484 -0.0279449 -2.4024324 -0.2511072 -0.0835336 -0.2332766 -2.1123376 5 O -1.5006912 0.3898257 0.2973643 0.3529539 -1.9858128 0.1377984 0.2534846 -0.0223675 -3.1197095 6 O -1.5006912 -0.3898257 0.2973643 -0.3529539 -1.9858128 -0.1377984 0.2534846 0.0223675 -3.1197095 7 O -1.5006912 0.3898257 0.2973643 0.3529539 -1.9858128 0.1377984 0.2534846 -0.0223675 -3.1197095 8 O -1.5006912 -0.3898257 0.2973643 -0.3529539 -1.9858128 -0.1377984 0.2534846 0.0223675 -3.1197095 9 O -1.8359975 -0.2760304 -0.0421350 -0.2419050 -2.5915701 -0.3414950 -0.0335900 -0.3690323 -2.5064638 10 O -1.8359975 0.2760304 -0.0421350 0.2419050 -2.5915701 0.3414950 -0.0335900 0.3690323 -2.5064638 11 O -1.8359975 -0.2760304 -0.0421350 -0.2419050 -2.5915701 -0.3414950 -0.0335900 -0.3690323 -2.5064638 12 O -1.8359975 0.2760304 -0.0421350 0.2419050 -2.5915701 0.3414950 -0.0335900 0.3690323 -2.5064638 13 O -2.5375431 0.7043607 -0.0283293 0.5024604 -2.4229364 0.3854356 -0.0362049 0.3952950 -1.4686051 14 O -2.5375431 -0.7043607 -0.0283293 -0.5024604 -2.4229364 -0.3854356 -0.0362049 -0.3952950 -1.4686051 15 O -2.5375431 0.7043607 -0.0283293 0.5024604 -2.4229364 0.3854356 -0.0362049 0.3952950 -1.4686051 16 O -2.5375431 -0.7043607 -0.0283293 -0.5024604 -2.4229364 -0.3854356 -0.0362049 -0.3952950 -1.4686051 17 Sb 4.7200652 -0.2581306 0.0330312 0.3320394 5.0231397 -0.0714843 0.0177969 0.6649974 5.1308770 18 Sb 4.7200652 0.2581306 0.0330312 -0.3320394 5.0231397 0.0714843 0.0177969 -0.6649974 5.1308770 19 Sb 4.7200652 -0.2581306 0.0330312 0.3320394 5.0231397 -0.0714843 0.0177969 0.6649974 5.1308770 20 Sb 4.7200652 0.2581306 0.0330312 -0.3320394 5.0231397 0.0714843 0.0177969 -0.6649974 5.1308770 21 Pr 3.8020335 0.1614848 -0.0761828 -0.0119367 4.3796120 0.0305414 -0.1179529 0.0092209 4.0762391 22 Pr 3.8020335 -0.1614848 -0.0761828 0.0119367 4.3796120 -0.0305414 -0.1179529 -0.0092209 4.0762391 23 Pr 3.8020335 0.1614848 -0.0761828 -0.0119367 4.3796120 0.0305414 -0.1179529 0.0092209 4.0762391 24 Pr 3.8020335 -0.1614848 -0.0761828 0.0119367 4.3796120 -0.0305414 -0.1179529 -0.0092209 4.0762391 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 17, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:14:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:14:02]------------------------- Compiled with OpenMP support (max 32 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.678670990264469 0.000000000000000 0.000000000000000 b 0.000000000000000 5.539968950000000 0.000000000000000 c -1.375871549764763 0.000000000000000 7.579905259462904 Atomic positions (fractional): 1 O 0.12007914923910 0.02097656138367 0.67204532139838 15.999 2 O 0.87992085076090 0.52097656138367 0.82795467860162 15.999 3 O 0.87992085076090 0.97902343861633 0.32795467860162 15.999 4 O 0.12007914923910 0.47902343861633 0.17204532139838 15.999 5 O 0.33234025078131 0.36033529520906 0.94422160678188 15.999 6 O 0.66765974921869 0.86033529520906 0.55577839321812 15.999 7 O 0.66765974921869 0.63966470479094 0.05577839321812 15.999 8 O 0.33234025078131 0.13966470479094 0.44422160678188 15.999 9 O 0.16912088412749 0.00540118712404 0.13026464390226 15.999 10 O 0.83087911587251 0.50540118712404 0.36973535609774 15.999 11 O 0.83087911587251 0.99459881287596 0.86973535609774 15.999 12 O 0.16912088412749 0.49459881287596 0.63026464390226 15.999 13 O 0.56221090387164 0.09073455468643 0.20188398273039 15.999 14 O 0.43778909612836 0.59073455468643 0.29811601726961 15.999 15 O 0.43778909612836 0.90926544531357 0.79811601726961 15.999 16 O 0.56221090387164 0.40926544531357 0.70188398273039 15.999 17 Sb 0.33641640894480 0.23103131258713 0.69808755139978 121.760 18 Sb 0.66358359105520 0.73103131258713 0.80191244860022 121.760 19 Sb 0.66358359105520 0.76896868741287 0.30191244860022 121.760 20 Sb 0.33641640894480 0.26896868741287 0.19808755139978 121.760 21 Pr 0.14983686946691 0.72705166428747 0.89993762201726 140.908 22 Pr 0.85016313053309 0.22705166428747 0.60006237798274 140.908 23 Pr 0.85016313053309 0.27294833571253 0.10006237798274 140.908 24 Pr 0.14983686946691 0.77294833571253 0.39993762201726 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.357341980528938 0.000000000000000 0.000000000000000 b 0.000000000000000 11.079937899999999 0.000000000000000 c -1.375871549764763 0.000000000000000 7.579905259462904 Atomic positions (fractional): 1 O 0.06003957461955 0.01048828069184 0.67204532139838 15.999 > 1 2 O 0.56003957461955 0.01048828069184 0.67204532139838 15.999 > 1 3 O 0.06003957461955 0.51048828069184 0.67204532139838 15.999 > 1 4 O 0.56003957461955 0.51048828069184 0.67204532139838 15.999 > 1 5 O 0.43996042538045 0.26048828069184 0.82795467860162 15.999 > 5 6 O 0.93996042538045 0.26048828069184 0.82795467860162 15.999 > 5 7 O 0.43996042538045 0.76048828069184 0.82795467860162 15.999 > 5 8 O 0.93996042538045 0.76048828069184 0.82795467860162 15.999 > 5 9 O 0.43996042538045 0.48951171930816 0.32795467860162 15.999 > 9 10 O 0.93996042538045 0.48951171930816 0.32795467860162 15.999 > 9 11 O 0.43996042538045 0.98951171930816 0.32795467860162 15.999 > 9 12 O 0.93996042538045 0.98951171930816 0.32795467860162 15.999 > 9 13 O 0.06003957461955 0.23951171930816 0.17204532139838 15.999 > 13 14 O 0.56003957461955 0.23951171930816 0.17204532139838 15.999 > 13 15 O 0.06003957461955 0.73951171930816 0.17204532139838 15.999 > 13 16 O 0.56003957461955 0.73951171930816 0.17204532139838 15.999 > 13 17 O 0.16617012539066 0.18016764760453 0.94422160678188 15.999 > 17 18 O 0.66617012539066 0.18016764760453 0.94422160678188 15.999 > 17 19 O 0.16617012539066 0.68016764760453 0.94422160678188 15.999 > 17 20 O 0.66617012539066 0.68016764760453 0.94422160678188 15.999 > 17 21 O 0.33382987460934 0.43016764760453 0.55577839321812 15.999 > 21 22 O 0.83382987460934 0.43016764760453 0.55577839321812 15.999 > 21 23 O 0.33382987460934 0.93016764760453 0.55577839321812 15.999 > 21 24 O 0.83382987460934 0.93016764760453 0.55577839321812 15.999 > 21 25 O 0.33382987460934 0.31983235239547 0.05577839321812 15.999 > 25 26 O 0.83382987460934 0.31983235239547 0.05577839321812 15.999 > 25 27 O 0.33382987460934 0.81983235239547 0.05577839321812 15.999 > 25 28 O 0.83382987460934 0.81983235239547 0.05577839321812 15.999 > 25 29 O 0.16617012539066 0.06983235239547 0.44422160678188 15.999 > 29 30 O 0.66617012539066 0.06983235239547 0.44422160678188 15.999 > 29 31 O 0.16617012539066 0.56983235239547 0.44422160678188 15.999 > 29 32 O 0.66617012539066 0.56983235239547 0.44422160678188 15.999 > 29 33 O 0.08456044206374 0.00270059356202 0.13026464390226 15.999 > 33 34 O 0.58456044206375 0.00270059356202 0.13026464390226 15.999 > 33 35 O 0.08456044206374 0.50270059356202 0.13026464390226 15.999 > 33 36 O 0.58456044206375 0.50270059356202 0.13026464390226 15.999 > 33 37 O 0.41543955793625 0.25270059356202 0.36973535609774 15.999 > 37 38 O 0.91543955793625 0.25270059356202 0.36973535609774 15.999 > 37 39 O 0.41543955793625 0.75270059356202 0.36973535609774 15.999 > 37 40 O 0.91543955793625 0.75270059356202 0.36973535609774 15.999 > 37 41 O 0.41543955793625 0.49729940643798 0.86973535609774 15.999 > 41 42 O 0.91543955793625 0.49729940643798 0.86973535609774 15.999 > 41 43 O 0.41543955793625 0.99729940643798 0.86973535609774 15.999 > 41 44 O 0.91543955793625 0.99729940643798 0.86973535609774 15.999 > 41 45 O 0.08456044206374 0.24729940643798 0.63026464390226 15.999 > 45 46 O 0.58456044206375 0.24729940643798 0.63026464390226 15.999 > 45 47 O 0.08456044206374 0.74729940643798 0.63026464390226 15.999 > 45 48 O 0.58456044206375 0.74729940643798 0.63026464390226 15.999 > 45 49 O 0.28110545193582 0.04536727734321 0.20188398273039 15.999 > 49 50 O 0.78110545193582 0.04536727734321 0.20188398273039 15.999 > 49 51 O 0.28110545193582 0.54536727734321 0.20188398273039 15.999 > 49 52 O 0.78110545193582 0.54536727734321 0.20188398273039 15.999 > 49 53 O 0.21889454806418 0.29536727734321 0.29811601726961 15.999 > 53 54 O 0.71889454806418 0.29536727734321 0.29811601726961 15.999 > 53 55 O 0.21889454806418 0.79536727734321 0.29811601726961 15.999 > 53 56 O 0.71889454806418 0.79536727734321 0.29811601726961 15.999 > 53 57 O 0.21889454806418 0.45463272265679 0.79811601726961 15.999 > 57 58 O 0.71889454806418 0.45463272265679 0.79811601726961 15.999 > 57 59 O 0.21889454806418 0.95463272265679 0.79811601726961 15.999 > 57 60 O 0.71889454806418 0.95463272265679 0.79811601726961 15.999 > 57 61 O 0.28110545193582 0.20463272265679 0.70188398273039 15.999 > 61 62 O 0.78110545193582 0.20463272265679 0.70188398273039 15.999 > 61 63 O 0.28110545193582 0.70463272265679 0.70188398273039 15.999 > 61 64 O 0.78110545193582 0.70463272265679 0.70188398273039 15.999 > 61 65 Sb 0.16820820447240 0.11551565629356 0.69808755139978 121.760 > 65 66 Sb 0.66820820447240 0.11551565629356 0.69808755139978 121.760 > 65 67 Sb 0.16820820447240 0.61551565629356 0.69808755139978 121.760 > 65 68 Sb 0.66820820447240 0.61551565629356 0.69808755139978 121.760 > 65 69 Sb 0.33179179552760 0.36551565629356 0.80191244860022 121.760 > 69 70 Sb 0.83179179552760 0.36551565629356 0.80191244860022 121.760 > 69 71 Sb 0.33179179552760 0.86551565629356 0.80191244860022 121.760 > 69 72 Sb 0.83179179552760 0.86551565629356 0.80191244860022 121.760 > 69 73 Sb 0.33179179552760 0.38448434370644 0.30191244860022 121.760 > 73 74 Sb 0.83179179552760 0.38448434370644 0.30191244860022 121.760 > 73 75 Sb 0.33179179552760 0.88448434370644 0.30191244860022 121.760 > 73 76 Sb 0.83179179552760 0.88448434370644 0.30191244860022 121.760 > 73 77 Sb 0.16820820447240 0.13448434370644 0.19808755139978 121.760 > 77 78 Sb 0.66820820447240 0.13448434370644 0.19808755139978 121.760 > 77 79 Sb 0.16820820447240 0.63448434370644 0.19808755139978 121.760 > 77 80 Sb 0.66820820447240 0.63448434370644 0.19808755139978 121.760 > 77 81 Pr 0.07491843473345 0.36352583214373 0.89993762201726 140.908 > 81 82 Pr 0.57491843473345 0.36352583214373 0.89993762201726 140.908 > 81 83 Pr 0.07491843473345 0.86352583214373 0.89993762201726 140.908 > 81 84 Pr 0.57491843473345 0.86352583214373 0.89993762201726 140.908 > 81 85 Pr 0.42508156526655 0.11352583214373 0.60006237798274 140.908 > 85 86 Pr 0.92508156526655 0.11352583214373 0.60006237798274 140.908 > 85 87 Pr 0.42508156526655 0.61352583214373 0.60006237798274 140.908 > 85 88 Pr 0.92508156526655 0.61352583214373 0.60006237798274 140.908 > 85 89 Pr 0.42508156526655 0.13647416785627 0.10006237798274 140.908 > 89 90 Pr 0.92508156526655 0.13647416785627 0.10006237798274 140.908 > 89 91 Pr 0.42508156526655 0.63647416785627 0.10006237798274 140.908 > 89 92 Pr 0.92508156526655 0.63647416785627 0.10006237798274 140.908 > 89 93 Pr 0.07491843473345 0.38647416785627 0.39993762201726 140.908 > 93 94 Pr 0.57491843473345 0.38647416785627 0.39993762201726 140.908 > 93 95 Pr 0.07491843473345 0.88647416785627 0.39993762201726 140.908 > 93 96 Pr 0.57491843473345 0.88647416785627 0.39993762201726 140.908 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4480145 0.0000000 0.0582332 0.0000000 4.6540423 0.0000000 0.0582345 0.0000000 4.6289893 -------------------------- Born effective charges -------------------------- 1 O -2.6478669 0.0385915 -0.1837484 0.0279449 -2.4024324 0.2511072 -0.0835336 0.2332766 -2.1123376 2 O -2.6478669 -0.0385915 -0.1837484 -0.0279449 -2.4024324 -0.2511072 -0.0835336 -0.2332766 -2.1123376 3 O -2.6478669 0.0385915 -0.1837484 0.0279449 -2.4024324 0.2511072 -0.0835336 0.2332766 -2.1123376 4 O -2.6478669 -0.0385915 -0.1837484 -0.0279449 -2.4024324 -0.2511072 -0.0835336 -0.2332766 -2.1123376 5 O -1.5006912 0.3898257 0.2973643 0.3529539 -1.9858128 0.1377984 0.2534846 -0.0223675 -3.1197095 6 O -1.5006912 -0.3898257 0.2973643 -0.3529539 -1.9858128 -0.1377984 0.2534846 0.0223675 -3.1197095 7 O -1.5006912 0.3898257 0.2973643 0.3529539 -1.9858128 0.1377984 0.2534846 -0.0223675 -3.1197095 8 O -1.5006912 -0.3898257 0.2973643 -0.3529539 -1.9858128 -0.1377984 0.2534846 0.0223675 -3.1197095 9 O -1.8359975 -0.2760304 -0.0421350 -0.2419050 -2.5915701 -0.3414950 -0.0335900 -0.3690323 -2.5064638 10 O -1.8359975 0.2760304 -0.0421350 0.2419050 -2.5915701 0.3414950 -0.0335900 0.3690323 -2.5064638 11 O -1.8359975 -0.2760304 -0.0421350 -0.2419050 -2.5915701 -0.3414950 -0.0335900 -0.3690323 -2.5064638 12 O -1.8359975 0.2760304 -0.0421350 0.2419050 -2.5915701 0.3414950 -0.0335900 0.3690323 -2.5064638 13 O -2.5375431 0.7043607 -0.0283293 0.5024604 -2.4229364 0.3854356 -0.0362049 0.3952950 -1.4686051 14 O -2.5375431 -0.7043607 -0.0283293 -0.5024604 -2.4229364 -0.3854356 -0.0362049 -0.3952950 -1.4686051 15 O -2.5375431 0.7043607 -0.0283293 0.5024604 -2.4229364 0.3854356 -0.0362049 0.3952950 -1.4686051 16 O -2.5375431 -0.7043607 -0.0283293 -0.5024604 -2.4229364 -0.3854356 -0.0362049 -0.3952950 -1.4686051 17 Sb 4.7200652 -0.2581306 0.0330312 0.3320394 5.0231397 -0.0714843 0.0177969 0.6649974 5.1308770 18 Sb 4.7200652 0.2581306 0.0330312 -0.3320394 5.0231397 0.0714843 0.0177969 -0.6649974 5.1308770 19 Sb 4.7200652 -0.2581306 0.0330312 0.3320394 5.0231397 -0.0714843 0.0177969 0.6649974 5.1308770 20 Sb 4.7200652 0.2581306 0.0330312 -0.3320394 5.0231397 0.0714843 0.0177969 -0.6649974 5.1308770 21 Pr 3.8020335 0.1614848 -0.0761828 -0.0119367 4.3796120 0.0305414 -0.1179529 0.0092209 4.0762391 22 Pr 3.8020335 -0.1614848 -0.0761828 0.0119367 4.3796120 -0.0305414 -0.1179529 -0.0092209 4.0762391 23 Pr 3.8020335 0.1614848 -0.0761828 -0.0119367 4.3796120 0.0305414 -0.1179529 0.0092209 4.0762391 24 Pr 3.8020335 -0.1614848 -0.0761828 0.0119367 4.3796120 -0.0305414 -0.1179529 -0.0092209 4.0762391 ---------------------------------------------------------------------------- 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 ... [ 7 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 7.675 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 10.789 ( 0.000 0.000 0.000) 0.000 11.071 ( 0.000 0.000 0.000) 0.000 11.071 ( 0.000 0.000 0.000) 0.000 11.963 ( 0.000 0.000 0.000) 0.000 11.975 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.580 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.992 ( 0.000 0.000 0.000) 0.000 13.219 ( 0.000 0.000 0.000) 0.000 13.272 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 14.345 ( 0.000 0.000 0.000) 0.000 15.052 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 15.783 ( 0.000 0.000 0.000) 0.000 16.209 ( 0.000 0.000 0.000) 0.000 16.499 ( 0.000 0.000 0.000) 0.000 16.577 ( 0.000 0.000 0.000) 0.000 17.788 ( 0.000 0.000 0.000) 0.000 18.139 ( 0.000 0.000 0.000) 0.000 19.214 ( 0.000 0.000 0.000) 0.000 19.491 ( 0.000 0.000 0.000) 0.000 19.824 ( 0.000 0.000 0.000) 0.000 19.855 ( 0.000 0.000 0.000) 0.000 19.945 ( 0.000 0.000 0.000) 0.000 20.408 ( 0.000 0.000 0.000) 0.000 21.065 ( 0.000 0.000 0.000) 0.000 21.451 ( 0.000 0.000 0.000) 0.000 21.988 ( 0.000 0.000 0.000) 0.000 22.042 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 12.418 0.000 14.758) 19.288 0.527 ( 25.838 0.000 12.363) 28.644 1.051 ( 52.797 0.000 11.944) 54.131 2.011 ( 7.655 0.000 -3.876) 8.581 2.603 ( -2.268 0.000 -0.576) 2.340 2.719 ( -10.029 0.000 -3.229) 10.536 3.079 ( 4.738 0.000 -0.815) 4.808 3.127 ( 6.403 0.000 -1.091) 6.495 3.768 ( -1.422 0.000 20.102) 20.152 3.972 ( -16.455 0.000 5.098) 17.226 4.102 ( -0.786 0.000 4.121) 4.195 4.147 ( -2.505 0.000 1.934) 3.165 4.335 ( 0.054 0.000 -3.496) 3.497 4.482 ( 8.600 0.000 -5.351) 10.129 4.608 ( 1.431 0.000 -4.172) 4.411 4.919 ( 3.645 0.000 0.415) 3.668 4.965 ( 2.219 0.000 -2.098) 3.054 5.063 ( -12.934 0.000 0.266) 12.937 5.269 ( -2.665 0.000 0.656) 2.744 5.494 ( -6.033 0.000 -4.582) 7.576 5.573 ( 0.825 0.000 0.731) 1.103 6.001 ( -0.593 0.000 -8.550) 8.570 6.036 ( -2.300 0.000 -0.688) 2.400 6.147 ( -4.216 0.000 11.013) 11.792 6.329 ( 11.892 0.000 6.726) 13.663 6.485 ( 5.650 0.000 -5.325) 7.764 6.667 ( -2.104 0.000 3.368) 3.971 7.825 ( -1.539 0.000 12.733) 12.826 7.912 ( -2.624 0.000 -0.101) 2.626 7.968 ( 1.556 0.000 4.400) 4.667 8.071 ( 0.357 0.000 1.577) 1.617 8.454 ( -0.024 0.000 -0.964) 0.965 8.603 ( -7.100 0.000 6.650) 9.728 8.872 ( -4.201 0.000 -14.509) 15.105 9.136 ( -3.517 0.000 -0.658) 3.578 9.296 ( 13.032 0.000 -6.267) 14.461 9.544 ( -4.899 0.000 -6.024) 7.764 9.867 ( 7.114 0.000 6.206) 9.440 10.127 ( -1.801 0.000 -0.702) 1.933 10.311 ( -0.709 0.000 0.708) 1.002 10.528 ( -2.876 0.000 -2.294) 3.679 10.730 ( -5.337 0.000 -3.324) 6.288 11.071 ( 0.312 0.000 -1.140) 1.182 11.084 ( 0.956 0.000 1.399) 1.694 11.990 ( 2.478 0.000 0.539) 2.536 12.313 ( 1.762 0.000 2.094) 2.737 12.408 ( 0.440 0.000 2.421) 2.461 12.689 ( 1.750 0.000 0.327) 1.780 12.981 ( -1.066 0.000 1.142) 1.562 13.227 ( 0.773 0.000 -0.066) 0.776 13.338 ( 6.802 0.000 -3.781) 7.782 13.828 ( 7.430 0.000 -46.393) 46.984 13.891 ( 0.765 0.000 2.592) 2.703 14.356 ( 1.030 0.000 -0.125) 1.037 15.426 ( -4.801 0.000 27.336) 27.755 15.791 ( 1.393 0.000 -2.569) 2.922 15.823 ( 7.913 0.000 5.668) 9.734 16.231 ( -18.210 0.000 0.891) 18.232 16.790 ( 11.804 0.000 1.273) 11.872 17.612 ( -13.208 0.000 -5.689) 14.381 17.730 ( -5.359 0.000 -50.597) 50.880 18.288 ( 10.415 0.000 7.231) 12.678 19.226 ( 1.263 0.000 -0.996) 1.608 19.670 ( -7.452 0.000 35.356) 36.133 19.848 ( 1.800 0.000 -2.078) 2.750 19.911 ( 3.849 0.000 7.203) 8.166 19.921 ( -1.526 0.000 -0.564) 1.627 20.996 ( -0.611 0.000 4.491) 4.532 21.059 ( -0.601 0.000 -0.134) 0.616 21.989 ( 0.136 0.000 -0.021) 0.138 22.038 ( -0.388 0.000 -0.027) 0.389 22.104 ( -0.278 0.000 4.749) 4.757 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 9.172 0.000 8.856) 12.750 1.038 ( 24.525 0.000 11.052) 26.900 2.006 ( 43.580 0.000 9.882) 44.687 2.168 ( 8.520 0.000 -4.265) 9.528 2.457 ( -14.945 0.000 -4.094) 15.495 2.591 ( 3.283 0.000 -0.244) 3.292 3.187 ( 6.942 0.000 -2.785) 7.480 3.240 ( 3.471 0.000 -2.822) 4.473 3.709 ( -11.722 0.000 7.073) 13.691 3.795 ( -2.756 0.000 13.068) 13.356 4.077 ( -4.148 0.000 10.412) 11.208 4.134 ( 1.467 0.000 -4.003) 4.263 4.312 ( -1.073 0.000 -4.250) 4.384 4.542 ( 0.865 0.000 -7.533) 7.582 4.620 ( 1.547 0.000 -6.315) 6.502 4.766 ( -17.318 0.000 -3.270) 17.624 4.893 ( -7.685 0.000 -0.822) 7.728 5.062 ( 10.178 0.000 -3.085) 10.636 5.187 ( -4.800 0.000 -2.884) 5.600 5.472 ( 3.634 0.000 0.672) 3.695 5.599 ( 1.876 0.000 -1.264) 2.262 5.965 ( -4.781 0.000 1.559) 5.029 5.968 ( 0.617 0.000 -9.121) 9.142 6.097 ( -5.397 0.000 13.096) 14.164 6.561 ( 7.085 0.000 3.825) 8.052 6.575 ( 5.008 0.000 -3.361) 6.032 6.646 ( 1.038 0.000 5.536) 5.633 7.855 ( -3.621 0.000 -1.070) 3.776 7.860 ( 2.386 0.000 3.101) 3.913 8.003 ( 0.037 0.000 4.655) 4.655 8.088 ( 1.540 0.000 3.952) 4.242 8.438 ( -1.726 0.000 -2.391) 2.949 8.484 ( -5.551 0.000 -1.689) 5.803 8.763 ( -3.922 0.000 -5.237) 6.543 9.051 ( -4.532 0.000 -1.450) 4.758 9.453 ( -2.881 0.000 -4.306) 5.181 9.530 ( 12.854 0.000 1.420) 12.932 10.029 ( 7.827 0.000 6.432) 10.131 10.094 ( -1.828 0.000 1.817) 2.578 10.239 ( -7.958 0.000 1.225) 8.052 10.475 ( -0.775 0.000 -4.992) 5.052 10.587 ( -8.076 0.000 -5.096) 9.550 11.077 ( 0.822 0.000 -1.158) 1.420 11.108 ( 0.950 0.000 1.501) 1.776 12.044 ( 2.767 0.000 0.168) 2.772 12.360 ( 2.375 0.000 1.413) 2.764 12.428 ( 0.599 0.000 3.378) 3.431 12.727 ( 1.958 0.000 0.127) 1.962 12.970 ( -0.490 0.000 1.435) 1.517 13.241 ( 0.660 0.000 -0.350) 0.747 13.443 ( 4.762 0.000 -5.322) 7.141 13.810 ( 2.526 0.000 -18.015) 18.191 13.972 ( 7.520 0.000 4.484) 8.755 14.376 ( 1.043 0.000 -0.093) 1.048 15.430 ( -1.632 0.000 10.268) 10.397 15.808 ( -2.339 0.000 -5.330) 5.821 15.880 ( -15.290 0.000 2.614) 15.512 16.066 ( 14.933 0.000 10.287) 18.133 16.986 ( 8.367 0.000 1.666) 8.532 17.349 ( -11.979 0.000 -4.119) 12.667 17.373 ( -17.856 0.000 -26.280) 31.772 18.504 ( 9.473 0.000 6.836) 11.682 19.246 ( 0.984 0.000 -0.767) 1.248 19.655 ( -2.656 0.000 11.332) 11.639 19.807 ( -3.835 0.000 -4.791) 6.137 19.945 ( 2.832 0.000 0.844) 2.956 20.014 ( 4.210 0.000 5.008) 6.542 21.001 ( 0.087 0.000 1.810) 1.813 21.044 ( -0.866 0.000 -0.263) 0.905 21.992 ( 0.159 0.000 -0.031) 0.162 22.029 ( -0.458 0.000 -0.027) 0.459 22.117 ( 0.346 0.000 1.995) 2.025 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 3.589 0.000 2.760) 4.527 1.488 ( 18.269 0.000 7.577) 19.778 2.088 ( -15.373 0.000 -5.606) 16.364 2.238 ( 0.940 0.000 -1.700) 1.943 2.739 ( 22.418 0.000 6.351) 23.300 2.769 ( 13.599 0.000 0.979) 13.634 3.123 ( -12.527 0.000 -3.057) 12.895 3.316 ( 8.306 0.000 -2.752) 8.750 3.665 ( 1.719 0.000 5.087) 5.370 3.706 ( -10.036 0.000 4.996) 11.211 4.047 ( -1.731 0.000 4.773) 5.077 4.152 ( 1.159 0.000 -1.686) 2.045 4.278 ( -0.822 0.000 -2.672) 2.795 4.470 ( -9.399 0.000 -3.361) 9.982 4.499 ( -1.438 0.000 -7.147) 7.290 4.629 ( 0.241 0.000 -1.177) 1.202 4.763 ( -4.528 0.000 2.452) 5.149 5.107 ( -2.232 0.000 -1.691) 2.800 5.222 ( 6.211 0.000 -2.566) 6.720 5.538 ( 1.611 0.000 1.226) 2.024 5.626 ( 1.020 0.000 -0.557) 1.162 5.896 ( -2.367 0.000 1.138) 2.627 5.965 ( 1.580 0.000 -6.396) 6.589 6.046 ( -3.509 0.000 8.241) 8.957 6.570 ( -1.429 0.000 1.663) 2.193 6.634 ( 1.937 0.000 -1.320) 2.344 6.769 ( 4.594 0.000 2.282) 5.129 7.781 ( -2.804 0.000 -0.903) 2.946 7.926 ( 3.932 0.000 -0.277) 3.942 7.989 ( -2.894 0.000 2.816) 4.037 8.171 ( 4.728 0.000 4.407) 6.463 8.364 ( -4.426 0.000 -3.508) 5.647 8.410 ( -1.644 0.000 -1.357) 2.132 8.696 ( -1.834 0.000 -1.133) 2.156 8.985 ( -1.806 0.000 -0.722) 1.945 9.408 ( -0.911 0.000 -1.495) 1.751 9.779 ( 13.542 0.000 -0.375) 13.547 10.029 ( -12.800 0.000 10.004) 16.245 10.089 ( -0.611 0.000 -7.463) 7.488 10.197 ( 7.578 0.000 5.712) 9.490 10.413 ( -7.913 0.000 -5.314) 9.532 10.460 ( 0.118 0.000 -2.130) 2.133 11.088 ( 0.482 0.000 -0.444) 0.656 11.125 ( 0.400 0.000 0.627) 0.744 12.082 ( 1.092 0.000 -0.114) 1.098 12.398 ( 1.062 0.000 0.575) 1.208 12.447 ( 0.278 0.000 1.677) 1.700 12.755 ( 0.909 0.000 -0.141) 0.920 12.969 ( -0.177 0.000 0.810) 0.829 13.247 ( 0.171 0.000 -0.263) 0.314 13.473 ( 0.682 0.000 -2.308) 2.407 13.802 ( 0.770 0.000 -5.164) 5.221 14.156 ( 7.665 0.000 2.298) 8.003 14.390 ( 0.405 0.000 -0.025) 0.405 15.433 ( -0.423 0.000 2.917) 2.947 15.531 ( -11.386 0.000 -1.004) 11.431 15.870 ( 1.540 0.000 -0.647) 1.671 16.426 ( 18.124 0.000 12.936) 22.267 16.933 ( -19.630 0.000 -17.310) 26.172 17.094 ( 2.090 0.000 0.897) 2.274 17.181 ( -3.920 0.000 -1.565) 4.221 18.656 ( 4.153 0.000 3.074) 5.167 19.256 ( 0.321 0.000 -0.237) 0.399 19.648 ( -0.725 0.000 3.012) 3.098 19.728 ( -2.333 0.000 -2.405) 3.351 19.989 ( 1.275 0.000 0.265) 1.302 20.083 ( 1.712 0.000 1.656) 2.382 21.011 ( 0.414 0.000 0.814) 0.913 21.028 ( -0.702 0.000 -0.396) 0.806 21.994 ( 0.067 0.000 -0.016) 0.069 22.022 ( -0.195 0.000 -0.009) 0.195 22.127 ( 0.198 0.000 0.609) 0.640 ======================= Grid point 7 (5/125) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 0.000 24.502 0.000) 24.502 0.780 ( 0.000 38.550 0.000) 38.550 1.278 ( 0.000 61.435 0.000) 61.435 2.029 ( 0.000 6.527 0.000) 6.527 2.620 ( 0.000 -4.494 0.000) 4.494 2.853 ( 0.000 3.052 0.000) 3.052 3.036 ( 0.000 -0.202 0.000) 0.202 3.084 ( 0.000 1.651 0.000) 1.651 3.418 ( 0.000 7.036 0.000) 7.036 3.985 ( 0.000 -11.138 0.000) 11.138 4.050 ( 0.000 -9.938 0.000) 9.938 4.301 ( 0.000 -3.439 0.000) 3.439 4.323 ( 0.000 -6.342 0.000) 6.342 4.410 ( 0.000 -11.307 0.000) 11.307 4.419 ( 0.000 8.605 0.000) 8.605 4.718 ( 0.000 2.900 0.000) 2.900 4.954 ( 0.000 3.317 0.000) 3.317 5.105 ( 0.000 2.059 0.000) 2.059 5.223 ( 0.000 -4.480 0.000) 4.480 5.541 ( 0.000 -0.795 0.000) 0.795 5.555 ( 0.000 -5.468 0.000) 5.468 5.998 ( 0.000 -2.293 0.000) 2.293 6.035 ( 0.000 -1.633 0.000) 1.633 6.253 ( 0.000 -1.194 0.000) 1.194 6.291 ( 0.000 7.986 0.000) 7.986 6.445 ( 0.000 1.972 0.000) 1.972 6.713 ( 0.000 2.108 0.000) 2.108 7.508 ( 0.000 -10.797 0.000) 10.797 7.921 ( 0.000 -6.696 0.000) 6.696 7.982 ( 0.000 2.291 0.000) 2.291 8.455 ( 0.000 3.267 0.000) 3.267 8.585 ( 0.000 11.888 0.000) 11.888 8.602 ( 0.000 1.102 0.000) 1.102 8.906 ( 0.000 6.287 0.000) 6.287 9.062 ( 0.000 7.183 0.000) 7.183 9.503 ( 0.000 -1.797 0.000) 1.797 9.619 ( 0.000 -1.839 0.000) 1.839 9.718 ( 0.000 -3.333 0.000) 3.333 10.175 ( 0.000 2.209 0.000) 2.209 10.253 ( 0.000 -5.718 0.000) 5.718 10.606 ( 0.000 4.952 0.000) 4.952 10.817 ( 0.000 2.799 0.000) 2.799 11.113 ( 0.000 4.492 0.000) 4.492 11.638 ( 0.000 10.323 0.000) 10.323 11.996 ( 0.000 1.830 0.000) 1.830 12.322 ( 0.000 -7.270 0.000) 7.270 12.370 ( 0.000 4.663 0.000) 4.663 12.525 ( 0.000 -2.138 0.000) 2.138 12.748 ( 0.000 4.575 0.000) 4.575 13.175 ( 0.000 -4.156 0.000) 4.156 13.263 ( 0.000 -0.776 0.000) 0.776 13.396 ( 0.000 -0.019 0.000) 0.019 14.291 ( 0.000 -4.830 0.000) 4.830 15.072 ( 0.000 1.697 0.000) 1.697 15.714 ( 0.000 -2.433 0.000) 2.433 15.721 ( 0.000 -5.816 0.000) 5.816 16.160 ( 0.000 1.352 0.000) 1.352 16.238 ( 0.000 2.588 0.000) 2.588 16.559 ( 0.000 5.431 0.000) 5.431 16.707 ( 0.000 4.286 0.000) 4.286 17.799 ( 0.000 1.456 0.000) 1.456 18.595 ( 0.000 -0.082 0.000) 0.082 19.210 ( 0.000 -0.452 0.000) 0.452 19.481 ( 0.000 -1.023 0.000) 1.023 19.874 ( 0.000 1.720 0.000) 1.720 19.947 ( 0.000 0.319 0.000) 0.319 20.402 ( 0.000 -0.884 0.000) 0.884 20.862 ( 0.000 -10.811 0.000) 10.811 21.233 ( 0.000 7.267 0.000) 7.267 21.437 ( 0.000 -1.163 0.000) 1.163 21.987 ( 0.000 -0.067 0.000) 0.067 22.529 ( 0.000 -3.192 0.000) 3.192 ======================= Grid point 8 (6/125) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 30.328 14.014 4.427) 33.701 0.926 ( 14.048 31.395 0.846) 34.405 1.366 ( 12.036 42.291 9.755) 45.040 2.184 ( 13.324 11.938 -1.866) 17.987 2.581 ( -2.735 -2.356 -1.559) 3.932 2.768 ( -8.110 4.763 -3.430) 10.011 3.052 ( 4.413 -1.452 0.760) 4.708 3.156 ( 5.370 1.758 -0.903) 5.722 3.555 ( 5.784 -5.058 9.332) 12.088 3.963 ( -10.092 -8.739 -4.645) 14.135 3.995 ( -0.893 -8.814 4.947) 10.146 4.156 ( -8.843 1.869 5.404) 10.531 4.297 ( -0.969 -3.943 -2.227) 4.631 4.435 ( 6.200 -8.123 1.359) 10.309 4.507 ( 2.705 -8.199 -1.835) 8.826 4.733 ( 0.062 0.404 -1.062) 1.138 4.995 ( 1.125 2.255 -3.423) 4.251 5.114 ( -3.454 -0.764 -2.780) 4.499 5.229 ( 4.184 -0.791 0.784) 4.329 5.491 ( -2.439 -1.295 -2.949) 4.041 5.561 ( 0.810 -0.761 0.390) 1.178 5.994 ( -0.176 -0.811 -1.800) 1.982 6.028 ( -0.699 -0.609 -1.078) 1.422 6.251 ( -3.837 9.205 4.187) 10.816 6.345 ( 6.454 -1.982 8.635) 10.961 6.489 ( 3.627 -0.115 -2.478) 4.394 6.715 ( 0.313 3.156 0.135) 3.175 7.542 ( 2.988 -11.587 1.102) 12.017 7.871 ( -3.372 -6.958 0.688) 7.762 8.006 ( 0.538 1.934 -0.921) 2.208 8.368 ( -4.261 10.882 1.906) 11.840 8.582 ( -0.943 12.058 1.628) 12.204 8.598 ( -3.757 0.024 6.211) 7.259 8.876 ( -2.617 3.173 -8.348) 9.306 9.166 ( 7.603 4.308 3.633) 9.464 9.388 ( -6.188 3.680 -4.755) 8.628 9.528 ( -5.048 -1.709 -6.914) 8.729 9.834 ( 5.884 -4.429 11.008) 13.244 10.158 ( 0.970 1.599 -17.816) 17.914 10.209 ( -4.287 -4.950 12.007) 13.676 10.572 ( -2.610 4.681 -2.394) 5.870 10.789 ( -3.038 3.830 -2.811) 5.639 11.110 ( -0.199 4.360 -0.030) 4.365 11.450 ( -10.890 21.900 2.316) 24.568 12.010 ( 1.888 1.717 2.125) 3.321 12.285 ( -0.410 -0.707 -0.393) 0.907 12.345 ( 1.055 -5.980 0.902) 6.139 12.688 ( 4.155 -2.176 -0.913) 4.778 12.839 ( 6.167 -3.216 1.711) 7.163 13.199 ( 1.239 -3.590 1.564) 4.108 13.330 ( 8.040 -0.797 -4.282) 9.144 13.476 ( 8.091 -4.200 -3.971) 9.944 14.306 ( 1.145 -3.474 0.963) 3.783 14.699 ( -22.296 25.241 -26.089) 42.601 15.554 ( -12.418 9.544 22.830) 27.686 15.734 ( 1.031 -4.546 -2.537) 5.307 15.836 ( 6.330 1.331 5.290) 8.356 16.286 ( -17.069 5.134 -0.070) 17.825 16.792 ( 12.207 -3.789 -1.376) 12.856 17.041 ( 15.245 -21.129 -11.812) 28.607 17.745 ( -4.424 3.333 -3.351) 6.474 18.571 ( -0.059 8.149 -5.625) 9.902 19.220 ( 1.043 -0.474 0.288) 1.182 19.533 ( 2.044 -4.646 13.601) 14.517 19.863 ( -0.810 1.631 -2.540) 3.125 19.915 ( -3.029 0.364 -1.118) 3.249 20.187 ( -9.426 9.240 4.335) 13.893 20.951 ( 3.633 -6.918 1.649) 7.986 21.150 ( -4.213 8.509 2.384) 9.789 21.629 ( 10.676 -14.374 0.467) 17.911 21.994 ( 0.804 0.014 -0.309) 0.861 22.366 ( -10.613 4.612 -0.069) 11.572 ======================= Grid point 9 (7/125) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 6.777 35.256 -4.598) 36.195 1.287 ( 17.281 23.349 13.501) 32.033 1.837 ( 27.202 -2.158 5.786) 27.894 2.414 ( 0.692 8.576 -1.470) 8.728 2.535 ( 1.304 3.317 -1.071) 3.722 2.626 ( 4.072 10.579 -3.604) 11.895 3.181 ( 5.665 -1.226 -1.957) 6.117 3.227 ( 2.525 -2.333 -1.221) 3.648 3.588 ( -5.647 -7.272 6.025) 11.003 3.754 ( -5.071 -3.464 5.392) 8.172 4.026 ( 1.781 -6.851 3.153) 7.749 4.075 ( -3.650 -2.384 1.355) 4.565 4.266 ( -1.332 -4.241 -2.467) 5.084 4.435 ( -4.594 -9.303 1.371) 10.465 4.556 ( 0.923 -7.793 -5.587) 9.633 4.696 ( -3.960 0.520 -3.508) 5.316 4.942 ( -5.209 1.939 -4.372) 7.071 5.076 ( 4.620 2.182 -3.465) 6.173 5.282 ( -0.462 5.162 0.861) 5.254 5.489 ( 3.074 1.278 0.026) 3.330 5.585 ( 1.256 -0.959 0.300) 1.609 5.976 ( -2.116 1.576 2.983) 3.983 6.007 ( -0.144 1.911 -5.546) 5.868 6.196 ( -3.285 9.513 4.658) 11.089 6.489 ( 2.029 -4.601 4.335) 6.639 6.544 ( 5.834 -2.711 3.136) 7.157 6.736 ( 1.927 5.068 -0.841) 5.486 7.611 ( 3.748 -11.351 0.796) 11.980 7.821 ( -2.431 -8.539 1.718) 9.043 7.981 ( -2.058 2.605 -2.410) 4.102 8.351 ( 0.942 9.362 2.187) 9.660 8.514 ( -5.946 5.881 5.604) 10.067 8.560 ( -2.044 9.787 -1.885) 10.174 8.780 ( -4.389 2.819 -4.786) 7.079 9.182 ( -4.521 10.568 -1.124) 11.549 9.400 ( 1.269 -3.993 -2.043) 4.662 9.467 ( 6.106 -4.406 -3.072) 8.132 9.951 ( 1.706 -6.259 12.279) 13.887 10.085 ( -5.149 -7.781 -6.457) 11.347 10.209 ( 2.763 5.067 1.693) 6.015 10.521 ( -1.252 4.416 -3.590) 5.828 10.678 ( -7.302 6.161 -4.230) 10.449 11.109 ( 0.188 4.130 -0.255) 4.142 11.335 ( -3.415 18.062 2.084) 18.500 12.066 ( 2.905 1.824 1.352) 3.687 12.292 ( 0.826 -4.183 -1.539) 4.533 12.386 ( 2.099 -4.978 4.926) 7.311 12.726 ( 0.920 -0.893 -1.446) 1.932 12.906 ( 1.565 -4.539 0.706) 4.853 13.228 ( 1.312 -1.479 2.204) 2.960 13.464 ( 6.278 0.141 -3.553) 7.215 13.627 ( 8.874 -5.841 -5.823) 12.115 14.270 ( -6.169 10.544 -4.471) 13.008 14.428 ( 0.437 10.048 -4.169) 10.887 15.484 ( -3.620 4.860 9.871) 11.583 15.773 ( 3.433 -4.835 -2.284) 6.355 15.925 ( -17.265 4.944 1.879) 18.057 16.054 ( 10.331 -0.249 8.156) 13.165 16.903 ( -1.711 -15.191 -8.711) 17.595 17.086 ( 1.566 -4.555 -4.736) 6.755 17.592 ( -9.932 11.501 -7.349) 16.880 18.612 ( 4.915 7.461 2.287) 9.222 19.242 ( 1.036 -0.305 0.006) 1.080 19.601 ( 0.216 -4.218 9.684) 10.565 19.827 ( -3.391 1.660 -3.309) 5.021 19.865 ( 0.504 -2.537 -1.009) 2.776 20.146 ( 0.828 6.121 2.908) 6.827 20.995 ( 1.178 -2.522 0.620) 2.852 21.102 ( -1.989 6.152 1.342) 6.603 21.767 ( 4.566 -15.214 0.639) 15.897 22.012 ( 1.182 0.281 -0.525) 1.324 22.222 ( -5.173 3.458 0.479) 6.240 ======================= Grid point 10 (8/125) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 1.545 34.364 -0.951) 34.412 1.643 ( 14.603 15.503 7.812) 22.685 2.177 ( -4.119 4.792 -4.363) 7.679 2.194 ( -1.483 3.053 0.693) 3.465 2.660 ( 12.845 -6.696 0.561) 14.497 2.899 ( 12.403 9.800 2.015) 15.935 3.014 ( -15.240 -9.128 -3.487) 18.104 3.364 ( 7.989 2.283 -2.688) 8.732 3.526 ( -4.111 -10.789 5.915) 12.973 3.777 ( 3.893 5.303 2.440) 7.017 3.986 ( -5.721 -4.881 1.736) 7.718 4.076 ( 1.983 -6.587 -0.265) 6.884 4.245 ( 0.019 -2.948 -1.452) 3.286 4.356 ( -2.272 -7.036 5.395) 9.152 4.472 ( -6.685 0.482 -10.159) 12.171 4.600 ( -2.245 -5.580 -1.336) 6.161 4.871 ( -1.079 6.738 -0.982) 6.894 5.180 ( 3.627 5.177 0.843) 6.378 5.258 ( -0.106 3.789 -2.289) 4.428 5.546 ( 1.585 0.496 0.483) 1.730 5.603 ( 0.414 -1.007 0.680) 1.284 5.945 ( -1.550 4.659 2.140) 5.357 5.992 ( 0.174 2.151 -2.988) 3.686 6.166 ( -1.185 10.539 2.107) 10.813 6.483 ( -0.915 -5.085 0.612) 5.203 6.687 ( 5.527 -2.189 4.144) 7.246 6.753 ( -0.438 2.246 -2.042) 3.067 7.666 ( 1.473 -9.655 0.175) 9.769 7.794 ( -0.846 -7.883 1.266) 8.028 7.939 ( -1.139 -1.076 -1.667) 2.288 8.392 ( 2.073 3.452 0.655) 4.080 8.449 ( -1.927 10.425 4.636) 11.571 8.496 ( -3.227 12.061 -3.731) 13.030 8.705 ( -2.062 2.175 -1.224) 3.237 9.115 ( -1.713 11.232 -0.762) 11.387 9.371 ( -0.892 -3.346 -1.479) 3.765 9.658 ( 10.889 -10.044 -1.110) 14.856 9.909 ( -10.459 -6.439 6.915) 14.095 10.002 ( 0.638 -7.304 -3.150) 7.979 10.324 ( 7.763 6.570 3.319) 10.698 10.495 ( -4.733 5.825 1.221) 7.604 10.515 ( -4.165 6.214 -7.289) 10.445 11.113 ( 0.180 3.812 -0.132) 3.818 11.306 ( -0.711 14.831 0.808) 14.870 12.111 ( 1.283 2.633 0.308) 2.945 12.298 ( 0.180 -6.497 -0.421) 6.513 12.439 ( 1.465 -3.184 2.780) 4.474 12.722 ( -0.326 -3.009 -1.389) 3.330 12.925 ( 0.499 -4.530 0.257) 4.565 13.257 ( 0.807 1.099 1.443) 1.985 13.527 ( 1.604 2.207 -1.216) 2.988 13.721 ( 2.700 -4.339 -4.257) 6.651 14.198 ( -0.503 5.449 -0.611) 5.506 14.490 ( 3.749 7.413 0.460) 8.320 15.442 ( -3.348 1.822 1.876) 4.249 15.647 ( -8.461 9.053 0.635) 12.408 15.826 ( 2.089 -3.677 -1.107) 4.372 16.334 ( 12.826 -7.269 11.426) 18.652 16.710 ( -10.748 -15.968 -11.940) 22.651 17.134 ( 1.827 -0.382 -0.426) 1.914 17.405 ( -5.791 19.633 -2.818) 20.662 18.712 ( 3.289 4.641 2.088) 6.059 19.255 ( 0.366 -0.023 0.057) 0.371 19.609 ( -0.740 -2.864 1.914) 3.523 19.761 ( -1.935 2.367 -0.733) 3.144 19.889 ( 1.187 -5.428 -0.328) 5.566 20.176 ( 0.943 4.601 0.942) 4.790 21.009 ( 0.334 -1.150 0.155) 1.207 21.080 ( -0.671 5.141 0.429) 5.203 21.821 ( 1.271 -13.732 0.271) 13.793 22.029 ( 0.665 0.855 -0.325) 1.131 22.162 ( -1.659 1.181 0.310) 2.060 ======================= Grid point 14 (9/125) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 32.232 0.000) 32.232 1.539 ( 0.000 36.931 0.000) 36.931 2.150 ( 0.000 5.278 0.000) 5.278 2.257 ( 0.000 18.851 0.000) 18.851 2.689 ( 0.000 25.375 0.000) 25.375 2.932 ( 0.000 4.233 0.000) 4.233 3.035 ( 0.000 2.781 0.000) 2.781 3.118 ( 0.000 1.957 0.000) 1.957 3.567 ( 0.000 4.940 0.000) 4.940 3.703 ( 0.000 -14.933 0.000) 14.933 3.808 ( 0.000 -13.117 0.000) 13.117 4.155 ( 0.000 -13.223 0.000) 13.223 4.200 ( 0.000 -4.117 0.000) 4.117 4.222 ( 0.000 -4.834 0.000) 4.834 4.622 ( 0.000 10.541 0.000) 10.541 4.689 ( 0.000 -6.931 0.000) 6.931 5.017 ( 0.000 2.799 0.000) 2.799 5.060 ( 0.000 -6.161 0.000) 6.161 5.196 ( 0.000 3.354 0.000) 3.354 5.416 ( 0.000 -7.761 0.000) 7.761 5.553 ( 0.000 0.748 0.000) 0.748 5.955 ( 0.000 -1.740 0.000) 1.740 6.038 ( 0.000 2.417 0.000) 2.417 6.212 ( 0.000 -1.401 0.000) 1.401 6.467 ( 0.000 -1.099 0.000) 1.099 6.472 ( 0.000 8.475 0.000) 8.475 6.725 ( 0.000 -0.719 0.000) 0.719 7.369 ( 0.000 -2.274 0.000) 2.274 7.670 ( 0.000 -17.159 0.000) 17.159 7.962 ( 0.000 -4.311 0.000) 4.311 8.597 ( 0.000 9.647 0.000) 9.647 8.635 ( 0.000 2.998 0.000) 2.998 8.852 ( 0.000 12.077 0.000) 12.077 9.066 ( 0.000 9.089 0.000) 9.089 9.233 ( 0.000 8.973 0.000) 8.973 9.427 ( 0.000 -5.834 0.000) 5.834 9.568 ( 0.000 -2.670 0.000) 2.670 9.682 ( 0.000 0.574 0.000) 0.574 10.103 ( 0.000 -8.191 0.000) 8.191 10.215 ( 0.000 0.955 0.000) 0.955 10.750 ( 0.000 8.564 0.000) 8.564 10.902 ( 0.000 5.596 0.000) 5.596 11.249 ( 0.000 8.768 0.000) 8.768 11.855 ( 0.000 9.997 0.000) 9.997 12.026 ( 0.000 -0.189 0.000) 0.189 12.163 ( 0.000 -6.457 0.000) 6.457 12.483 ( 0.000 4.873 0.000) 4.873 12.498 ( 0.000 -1.357 0.000) 1.357 12.836 ( 0.000 4.583 0.000) 4.583 13.081 ( 0.000 -3.795 0.000) 3.795 13.247 ( 0.000 -0.641 0.000) 0.641 13.395 ( 0.000 -0.022 0.000) 0.022 14.193 ( 0.000 -3.689 0.000) 3.689 15.096 ( 0.000 -0.130 0.000) 0.130 15.571 ( 0.000 -8.512 0.000) 8.512 15.646 ( 0.000 -4.186 0.000) 4.186 16.209 ( 0.000 3.568 0.000) 3.568 16.300 ( 0.000 3.417 0.000) 3.417 16.686 ( 0.000 6.392 0.000) 6.392 16.798 ( 0.000 4.081 0.000) 4.081 17.869 ( 0.000 6.150 0.000) 6.150 18.601 ( 0.000 0.716 0.000) 0.716 19.195 ( 0.000 -0.966 0.000) 0.966 19.450 ( 0.000 -2.121 0.000) 2.121 19.916 ( 0.000 2.319 0.000) 2.319 19.963 ( 0.000 1.318 0.000) 1.318 20.360 ( 0.000 -3.448 0.000) 3.448 20.639 ( 0.000 -11.165 0.000) 11.165 21.355 ( 0.000 4.960 0.000) 4.960 21.419 ( 0.000 -0.308 0.000) 0.308 21.987 ( 0.000 0.150 0.000) 0.150 22.437 ( 0.000 -5.824 0.000) 5.824 ======================= Grid point 15 (10/125) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 24.867 21.743 3.131) 33.180 1.600 ( 6.392 34.225 -2.377) 34.898 2.075 ( -4.031 17.537 0.225) 17.996 2.372 ( 6.260 0.465 1.028) 6.361 2.720 ( 3.494 25.394 1.578) 25.682 2.886 ( -3.959 5.952 -2.943) 7.730 3.057 ( 3.838 3.718 -0.120) 5.344 3.165 ( 2.444 0.067 -0.849) 2.588 3.559 ( -0.474 0.273 1.988) 2.061 3.697 ( -1.832 -14.468 -9.203) 17.244 3.804 ( 0.085 -9.317 6.138) 11.157 4.109 ( -5.077 -9.181 -0.300) 10.495 4.180 ( -2.617 -4.216 3.419) 6.026 4.274 ( 4.126 -5.314 2.777) 7.278 4.445 ( -5.535 -0.346 -2.401) 6.043 4.793 ( 0.836 3.741 0.042) 3.833 5.026 ( -0.169 1.154 -3.871) 4.043 5.058 ( -0.004 -3.470 1.506) 3.782 5.237 ( 4.874 0.546 0.284) 4.913 5.446 ( 3.361 -2.817 1.402) 4.603 5.552 ( 0.197 -0.850 -2.368) 2.524 5.973 ( 2.219 -1.062 -1.783) 3.038 6.048 ( 0.405 3.255 0.967) 3.420 6.269 ( 4.376 -4.327 4.715) 7.753 6.448 ( -1.653 9.096 3.226) 9.792 6.466 ( -0.743 -2.326 -0.420) 2.477 6.767 ( 3.939 1.792 -1.490) 4.576 7.399 ( 2.976 -2.547 -0.641) 3.970 7.639 ( -2.694 -16.062 0.807) 16.307 7.976 ( 1.003 -4.666 -1.010) 4.878 8.556 ( -2.932 8.723 -3.564) 9.869 8.634 ( -1.561 4.182 6.278) 7.704 8.831 ( -2.473 10.576 1.919) 11.029 9.011 ( -3.888 9.495 -5.727) 11.750 9.280 ( 3.292 6.337 3.587) 7.991 9.384 ( -3.731 -4.106 1.407) 5.723 9.513 ( -3.407 0.329 -7.729) 8.453 9.745 ( 3.717 -2.729 5.893) 7.482 10.045 ( -5.395 -7.793 -0.627) 9.499 10.235 ( 2.937 1.964 -3.043) 4.664 10.705 ( -3.577 7.932 -1.777) 8.881 10.889 ( -2.069 6.134 -0.122) 6.475 11.243 ( -0.488 8.654 0.300) 8.673 11.807 ( -5.464 13.781 2.436) 15.023 12.036 ( 0.738 -0.059 3.870) 3.940 12.187 ( 2.092 -7.133 1.788) 7.646 12.327 ( -5.070 2.988 -6.066) 8.452 12.629 ( 4.496 -3.374 1.559) 5.833 12.855 ( 0.432 2.771 -0.601) 2.868 13.105 ( 2.461 -4.451 2.447) 5.644 13.313 ( 6.552 -0.800 -3.818) 7.626 13.456 ( 6.794 0.628 -0.709) 6.860 14.241 ( 4.524 -1.905 1.852) 5.246 14.972 ( -10.429 6.389 -12.385) 17.406 15.581 ( 1.430 -8.536 -0.687) 8.682 15.638 ( -4.290 -3.325 11.662) 12.863 15.962 ( -7.539 10.112 4.294) 13.324 16.405 ( -9.473 5.128 -2.898) 11.155 16.598 ( 2.851 -6.631 -4.783) 8.659 16.951 ( 8.632 1.034 -1.870) 8.892 17.868 ( 0.398 9.176 -0.111) 9.185 18.651 ( 4.432 1.972 -1.038) 4.961 19.208 ( 1.044 -0.702 1.343) 1.840 19.467 ( 0.977 -2.776 5.753) 6.462 19.907 ( -1.009 2.552 -2.776) 3.904 19.931 ( -2.995 1.293 -1.022) 3.419 20.253 ( -6.216 -0.941 0.325) 6.295 20.751 ( 7.252 -12.178 2.052) 14.321 21.305 ( -3.979 6.321 1.592) 7.638 21.464 ( 3.636 -3.545 -1.988) 5.454 21.996 ( 1.028 0.268 -0.262) 1.094 22.364 ( -6.498 -3.188 -0.249) 7.242 ======================= Grid point 16 (11/125) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 18.920 18.414 -0.325) 26.404 1.720 ( 11.058 21.683 -2.242) 24.443 2.066 ( 3.773 19.017 8.801) 21.292 2.427 ( 0.485 -3.280 -2.525) 4.167 2.707 ( -7.342 13.754 -4.489) 16.225 2.905 ( 8.532 11.126 1.937) 14.154 3.104 ( -9.065 -4.825 -2.984) 10.694 3.163 ( 4.986 -2.047 -0.050) 5.391 3.539 ( -4.614 -0.063 -2.711) 5.352 3.642 ( 4.594 -5.420 0.622) 7.132 3.854 ( 2.935 -9.024 0.753) 9.519 4.028 ( -2.815 -3.760 3.187) 5.676 4.149 ( -1.376 -8.281 -1.277) 8.491 4.306 ( -1.125 -0.596 5.421) 5.569 4.457 ( 3.823 -1.381 -3.002) 5.054 4.696 ( -9.310 0.143 -2.705) 9.696 4.978 ( -1.879 2.174 -3.584) 4.593 5.121 ( 6.235 1.099 0.862) 6.390 5.340 ( 3.498 0.817 1.701) 3.974 5.519 ( 3.431 0.863 -0.122) 3.540 5.558 ( 0.921 -0.958 2.229) 2.595 6.010 ( 2.001 0.446 -3.160) 3.766 6.062 ( 1.041 5.019 1.580) 5.364 6.344 ( 1.695 -2.748 1.046) 3.394 6.438 ( -1.561 -2.178 -1.273) 2.967 6.477 ( 3.135 5.160 7.834) 9.890 6.825 ( 2.299 3.314 -2.054) 4.527 7.456 ( 2.898 -3.887 -1.016) 4.954 7.610 ( -0.296 -13.203 2.492) 13.439 7.964 ( -2.013 -4.040 -3.431) 5.670 8.487 ( -2.990 6.542 -1.548) 7.358 8.623 ( -1.582 5.342 5.901) 8.116 8.779 ( -3.422 8.536 1.588) 9.332 8.907 ( -4.678 9.478 -5.763) 12.038 9.324 ( -2.953 -3.170 3.284) 5.437 9.353 ( 2.111 1.571 1.397) 2.979 9.434 ( -0.512 4.407 -6.912) 8.213 9.818 ( 1.872 -5.392 4.708) 7.399 9.922 ( -7.234 -7.801 -0.850) 10.673 10.308 ( 5.606 3.530 -1.363) 6.764 10.638 ( -2.416 6.874 -1.680) 7.477 10.810 ( -5.988 6.947 -1.735) 9.334 11.239 ( -0.063 8.666 0.373) 8.674 11.702 ( -5.567 16.752 2.238) 17.794 12.082 ( 2.600 -1.167 3.473) 4.493 12.232 ( 0.309 -5.260 -1.025) 5.368 12.269 ( 1.142 -1.914 0.430) 2.270 12.681 ( 0.812 -3.564 0.132) 3.658 12.824 ( -1.976 -3.251 -3.526) 5.187 13.195 ( 5.225 -1.257 5.369) 7.596 13.403 ( 4.099 -3.987 -4.234) 7.115 13.622 ( 9.811 2.396 -1.761) 10.252 14.351 ( 5.499 3.185 1.588) 6.550 14.710 ( -10.382 12.710 -9.284) 18.856 15.574 ( -5.435 2.091 9.062) 10.772 15.619 ( 2.344 -10.434 -0.829) 10.726 15.963 ( 0.355 0.074 7.563) 7.572 16.172 ( -8.739 11.406 -1.373) 14.434 16.564 ( -5.043 -14.324 -9.530) 17.929 17.061 ( 4.198 -1.428 -1.826) 4.796 17.873 ( -0.478 16.272 -1.141) 16.319 18.731 ( 4.396 4.274 0.283) 6.137 19.237 ( 1.252 -0.158 1.552) 2.000 19.520 ( 1.781 -3.606 6.933) 8.015 19.851 ( -3.535 0.861 -2.325) 4.318 19.865 ( -2.616 2.057 -3.203) 4.619 20.204 ( 0.043 -0.240 0.861) 0.894 20.862 ( 3.856 -11.463 1.604) 12.200 21.242 ( -3.014 6.791 0.867) 7.480 21.522 ( 2.901 -7.635 -1.137) 8.247 22.021 ( 1.694 0.616 -0.416) 1.850 22.244 ( -5.643 -0.819 0.102) 5.703 ======================= Grid point 17 (12/125) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 0.370 18.824 -5.261) 19.549 2.063 ( 11.004 20.518 9.692) 25.219 2.285 ( 10.758 12.339 3.362) 16.712 2.398 ( -1.845 6.039 -1.244) 6.436 2.569 ( -0.531 3.734 -7.440) 8.341 2.819 ( -16.676 -8.050 -1.699) 18.596 3.072 ( 5.505 4.515 2.655) 7.599 3.226 ( 1.597 -10.545 0.084) 10.665 3.459 ( -2.424 -0.097 -1.884) 3.071 3.785 ( 6.733 -0.581 -0.754) 6.800 3.899 ( 1.508 -9.212 -0.341) 9.341 4.028 ( 1.192 4.753 5.000) 7.001 4.118 ( -1.334 -9.194 -1.447) 9.402 4.292 ( -2.164 -0.055 0.171) 2.171 4.464 ( -1.547 -3.228 -1.124) 3.752 4.535 ( -4.411 3.743 -1.380) 5.947 4.956 ( 0.258 2.103 -1.713) 2.724 5.252 ( 5.717 1.795 1.269) 6.125 5.351 ( -1.504 4.485 -0.230) 4.736 5.559 ( -0.117 -4.262 0.622) 4.309 5.589 ( 1.553 4.151 1.616) 4.717 6.026 ( 0.602 0.929 -0.710) 1.316 6.088 ( 0.891 8.847 -0.132) 8.893 6.366 ( 0.730 3.105 0.975) 3.335 6.405 ( -1.128 -2.221 -1.738) 3.037 6.572 ( 3.097 -1.802 4.343) 5.631 6.831 ( -0.486 2.829 -1.549) 3.262 7.493 ( 1.273 -6.592 -0.315) 6.721 7.639 ( 1.524 -8.241 2.304) 8.691 7.891 ( -3.181 -3.930 -3.201) 5.984 8.448 ( -0.905 4.537 -0.156) 4.629 8.621 ( -0.329 5.809 2.721) 6.423 8.731 ( -1.736 8.202 0.530) 8.400 8.822 ( -2.249 9.227 -2.817) 9.906 9.289 ( -1.201 -4.289 0.575) 4.491 9.350 ( -0.643 8.432 -0.540) 8.474 9.480 ( 3.817 -4.923 -0.950) 6.302 9.790 ( -5.687 -5.661 2.592) 8.433 9.851 ( 0.872 -6.228 -1.167) 6.396 10.419 ( 5.357 2.942 0.609) 6.141 10.610 ( -0.601 6.119 1.153) 6.255 10.678 ( -5.804 8.460 -3.452) 10.825 11.240 ( 0.019 8.751 0.168) 8.753 11.636 ( -1.927 16.521 0.841) 16.654 12.144 ( 2.647 -2.530 2.704) 4.552 12.198 ( -1.935 -1.311 -2.955) 3.768 12.327 ( 2.115 -6.760 2.646) 7.561 12.663 ( -1.463 -1.964 -1.609) 2.930 12.796 ( -0.197 -7.814 -1.026) 7.884 13.301 ( 3.248 3.244 4.162) 6.196 13.436 ( 0.930 -7.878 -3.138) 8.531 13.752 ( 3.880 3.891 -1.322) 5.652 14.380 ( -1.705 11.878 -1.619) 12.108 14.634 ( 2.306 6.800 -0.239) 7.184 15.490 ( -4.707 1.671 1.702) 5.277 15.642 ( 0.043 -9.200 0.735) 9.229 15.918 ( -2.239 9.992 0.287) 10.244 16.202 ( 5.845 -3.725 8.997) 11.357 16.395 ( -7.743 -13.191 -10.529) 18.570 17.104 ( 1.121 -2.626 -0.915) 2.998 17.846 ( -1.212 22.998 -0.756) 23.042 18.808 ( 2.725 4.508 0.923) 5.347 19.259 ( 0.597 0.551 0.823) 1.157 19.551 ( -0.076 -2.753 1.835) 3.310 19.802 ( -1.604 0.250 4.704) 4.976 19.818 ( -0.548 -0.113 -6.623) 6.647 20.220 ( 0.733 -0.287 0.321) 0.850 20.910 ( 1.078 -10.530 0.568) 10.600 21.205 ( -1.081 6.540 0.263) 6.634 21.558 ( 1.117 -9.710 -0.315) 9.779 22.051 ( 1.354 1.201 -0.289) 1.833 22.165 ( -2.578 -0.540 0.196) 2.641 ======================= Grid point 21 (13/125) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 29.516 0.000) 29.516 2.243 ( 0.000 15.546 0.000) 15.546 2.259 ( 0.000 23.307 0.000) 23.307 2.287 ( 0.000 -2.869 0.000) 2.869 2.811 ( 0.000 -9.196 0.000) 9.196 3.066 ( 0.000 6.265 0.000) 6.265 3.185 ( 0.000 5.373 0.000) 5.373 3.392 ( 0.000 -2.998 0.000) 2.998 3.490 ( 0.000 -10.647 0.000) 10.647 3.615 ( 0.000 -6.433 0.000) 6.433 3.639 ( 0.000 23.931 0.000) 23.931 3.870 ( 0.000 -12.505 0.000) 12.505 4.155 ( 0.000 -2.511 0.000) 2.511 4.185 ( 0.000 1.109 0.000) 1.109 4.452 ( 0.000 -11.087 0.000) 11.087 4.792 ( 0.000 5.222 0.000) 5.222 4.985 ( 0.000 -1.362 0.000) 1.362 5.075 ( 0.000 2.588 0.000) 2.588 5.274 ( 0.000 -4.709 0.000) 4.709 5.298 ( 0.000 6.790 0.000) 6.790 5.548 ( 0.000 -1.007 0.000) 1.007 5.919 ( 0.000 -2.686 0.000) 2.686 6.099 ( 0.000 3.255 0.000) 3.255 6.226 ( 0.000 2.585 0.000) 2.585 6.380 ( 0.000 -6.036 0.000) 6.036 6.623 ( 0.000 6.597 0.000) 6.597 6.733 ( 0.000 1.590 0.000) 1.590 7.184 ( 0.000 -23.884 0.000) 23.884 7.461 ( 0.000 3.150 0.000) 3.150 7.842 ( 0.000 -6.907 0.000) 6.907 8.723 ( 0.000 5.270 0.000) 5.270 8.766 ( 0.000 6.072 0.000) 6.072 9.027 ( 0.000 5.560 0.000) 5.560 9.246 ( 0.000 7.580 0.000) 7.580 9.294 ( 0.000 -6.150 0.000) 6.150 9.391 ( 0.000 5.109 0.000) 5.109 9.547 ( 0.000 1.755 0.000) 1.755 9.729 ( 0.000 3.428 0.000) 3.428 9.961 ( 0.000 -5.045 0.000) 5.045 10.192 ( 0.000 -3.414 0.000) 3.414 10.920 ( 0.000 7.824 0.000) 7.824 11.022 ( 0.000 5.554 0.000) 5.554 11.447 ( 0.000 10.306 0.000) 10.306 11.927 ( 0.000 -7.460 0.000) 7.460 12.024 ( 0.000 7.270 0.000) 7.270 12.146 ( 0.000 2.912 0.000) 2.912 12.444 ( 0.000 -4.400 0.000) 4.400 12.484 ( 0.000 -4.863 0.000) 4.863 12.943 ( 0.000 5.857 0.000) 5.857 13.071 ( 0.000 1.992 0.000) 1.992 13.245 ( 0.000 0.818 0.000) 0.818 13.396 ( 0.000 -0.143 0.000) 0.143 14.193 ( 0.000 4.894 0.000) 4.894 15.019 ( 0.000 -8.878 0.000) 8.878 15.425 ( 0.000 -4.508 0.000) 4.508 15.553 ( 0.000 -4.904 0.000) 4.904 16.294 ( 0.000 4.476 0.000) 4.476 16.364 ( 0.000 2.645 0.000) 2.645 16.791 ( 0.000 3.811 0.000) 3.811 16.855 ( 0.000 1.557 0.000) 1.557 18.056 ( 0.000 12.114 0.000) 12.114 18.611 ( 0.000 -0.479 0.000) 0.479 19.179 ( 0.000 -0.201 0.000) 0.201 19.393 ( 0.000 -3.585 0.000) 3.585 19.960 ( 0.000 1.938 0.000) 1.938 19.996 ( 0.000 1.842 0.000) 1.842 20.271 ( 0.000 -4.757 0.000) 4.757 20.427 ( 0.000 -9.562 0.000) 9.562 21.430 ( 0.000 1.276 0.000) 1.276 21.432 ( 0.000 2.710 0.000) 2.710 22.000 ( 0.000 1.416 0.000) 1.416 22.304 ( 0.000 -7.203 0.000) 7.203 ======================= Grid point 22 (14/125) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 12.453 23.773 1.907) 26.905 2.220 ( -2.431 15.035 -8.445) 17.415 2.285 ( 4.816 10.229 -5.102) 12.404 2.345 ( 3.704 10.042 9.866) 14.557 2.823 ( 1.102 -9.943 -1.393) 10.100 3.038 ( -2.287 6.317 -4.361) 8.010 3.171 ( -1.956 3.745 2.537) 4.928 3.363 ( -4.077 2.649 1.944) 5.236 3.459 ( -2.639 -8.462 -3.765) 9.631 3.615 ( 1.402 -1.657 -0.436) 2.214 3.662 ( 3.044 9.673 0.747) 10.168 3.872 ( 0.286 -11.341 -0.228) 11.347 4.077 ( -7.039 -7.617 -1.344) 10.459 4.272 ( 7.025 3.655 2.328) 8.254 4.416 ( 0.148 -0.119 -1.811) 1.821 4.855 ( 1.565 1.957 1.541) 2.941 5.006 ( 0.741 -1.547 1.386) 2.205 5.087 ( 0.296 5.635 1.920) 5.960 5.215 ( 1.280 -3.555 -3.098) 4.886 5.412 ( 5.802 0.361 2.406) 6.292 5.529 ( 0.271 -0.130 1.182) 1.219 5.965 ( 3.737 -0.545 -1.272) 3.985 6.106 ( 0.941 1.346 -0.963) 1.903 6.229 ( 0.265 1.654 1.732) 2.409 6.379 ( -0.092 -4.704 -0.221) 4.710 6.625 ( 0.484 7.806 3.517) 8.575 6.791 ( 4.620 0.645 -0.628) 4.706 7.203 ( 2.340 -23.460 0.687) 23.586 7.457 ( -0.089 3.935 -1.079) 4.081 7.851 ( 0.741 -7.133 -0.646) 7.201 8.699 ( -2.724 6.008 1.239) 6.713 8.753 ( -1.574 5.790 0.943) 6.074 8.979 ( -3.977 4.702 -2.929) 6.819 9.194 ( -3.524 5.458 -7.346) 9.807 9.290 ( -2.528 -2.676 6.290) 7.288 9.392 ( -0.998 3.622 4.524) 5.880 9.510 ( -1.667 0.353 -5.902) 6.143 9.755 ( 1.279 2.588 5.642) 6.338 9.909 ( -4.293 -4.229 -3.539) 6.988 10.234 ( 4.297 -2.314 -0.417) 4.898 10.866 ( -4.383 7.692 -1.343) 8.954 11.012 ( -2.177 5.214 1.106) 5.758 11.442 ( -0.199 10.686 0.016) 10.688 11.950 ( 1.586 -6.543 3.078) 7.403 12.020 ( -0.946 7.134 1.478) 7.347 12.141 ( -0.622 2.276 0.498) 2.411 12.348 ( -5.130 -2.011 -5.831) 8.023 12.531 ( 1.942 -6.464 3.303) 7.514 12.932 ( -3.649 4.639 -2.530) 6.422 13.067 ( 2.588 0.609 2.313) 3.524 13.304 ( 4.835 0.309 -2.665) 5.529 13.471 ( 7.933 0.065 -0.137) 7.934 14.271 ( 7.398 5.782 2.602) 9.743 15.008 ( -1.621 -3.816 -2.244) 4.715 15.391 ( -2.064 -7.440 -4.232) 8.805 15.547 ( -1.698 -5.452 5.593) 7.993 16.154 ( -9.307 8.295 3.039) 12.832 16.413 ( 0.833 -2.371 -4.784) 5.404 16.630 ( -11.056 6.583 -0.777) 12.891 16.947 ( 4.674 -1.785 -1.858) 5.337 18.106 ( 4.904 13.945 1.563) 14.865 18.673 ( 5.640 -0.237 0.578) 5.674 19.198 ( 1.473 0.055 2.198) 2.647 19.405 ( 0.799 -3.541 3.746) 5.216 19.953 ( -1.220 1.798 -1.293) 2.529 19.976 ( -1.685 3.279 -2.100) 4.243 20.194 ( -4.707 -4.100 -1.733) 6.478 20.495 ( 4.498 -12.556 0.784) 13.361 21.402 ( -2.464 3.509 1.322) 4.487 21.441 ( 0.857 0.421 -2.083) 2.291 22.011 ( 1.171 1.447 -0.054) 1.862 22.271 ( -3.188 -5.569 0.197) 6.420 ======================= Grid point 23 (15/125) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 16.576 12.178 4.695) 21.097 2.119 ( -4.542 13.293 -8.547) 16.444 2.356 ( 3.587 -0.422 -4.384) 5.680 2.475 ( 6.942 21.232 8.465) 23.888 2.815 ( -2.419 -12.265 -1.488) 12.589 2.954 ( -4.088 8.677 -6.817) 11.767 3.108 ( -6.393 2.873 0.049) 7.009 3.267 ( -5.243 8.648 5.062) 11.310 3.399 ( -1.258 -8.928 -6.101) 10.887 3.665 ( 2.009 -9.470 1.359) 9.775 3.784 ( 10.516 9.677 -0.033) 14.291 3.877 ( 0.248 -7.777 -0.381) 7.791 3.950 ( -4.398 -10.446 -1.987) 11.507 4.405 ( 4.937 6.520 2.430) 8.532 4.463 ( 4.047 2.461 -1.393) 4.937 4.744 ( -10.609 5.167 -2.092) 11.985 5.033 ( -0.079 1.280 1.249) 1.790 5.122 ( 4.536 1.360 3.690) 6.004 5.307 ( 5.628 -4.684 1.057) 7.398 5.474 ( 2.356 -3.313 -3.932) 5.655 5.612 ( 4.654 5.073 7.244) 9.993 6.008 ( 1.138 -0.396 -2.284) 2.583 6.134 ( 2.722 -2.798 -0.808) 3.986 6.255 ( 1.760 2.571 2.617) 4.069 6.375 ( 0.120 -2.674 -2.294) 3.525 6.675 ( 3.057 9.859 5.352) 11.627 6.842 ( 0.519 -2.263 -1.108) 2.572 7.290 ( 6.098 -17.622 2.620) 18.831 7.458 ( 0.912 3.408 -1.648) 3.894 7.846 ( -1.155 -7.014 -2.967) 7.702 8.638 ( -3.851 7.918 2.138) 9.061 8.720 ( -2.069 4.613 1.284) 5.216 8.886 ( -4.555 2.631 -2.036) 5.641 9.088 ( -4.653 6.240 -6.866) 10.379 9.241 ( -3.298 -2.837 2.069) 4.817 9.362 ( -3.483 -1.158 3.580) 5.127 9.493 ( 0.992 -0.102 -1.526) 1.823 9.756 ( -5.203 -6.077 5.825) 9.896 9.844 ( 1.396 6.442 -5.720) 8.727 10.333 ( 5.848 -1.310 0.678) 6.031 10.781 ( -3.862 6.979 -0.621) 8.000 10.936 ( -5.834 4.825 -0.272) 7.576 11.445 ( 0.354 11.356 0.237) 11.364 11.972 ( -1.522 6.713 -0.577) 6.908 12.010 ( 0.022 -2.322 6.231) 6.650 12.142 ( 1.237 -1.337 -0.068) 1.822 12.262 ( -2.330 -1.463 -4.028) 4.878 12.572 ( 1.237 -7.396 3.446) 8.253 12.811 ( -6.154 2.667 -5.935) 8.956 13.165 ( 5.063 -3.028 2.699) 6.487 13.376 ( 4.011 2.392 -2.011) 5.085 13.652 ( 9.967 -0.152 0.205) 9.970 14.457 ( 10.522 7.681 2.934) 13.353 14.910 ( -7.144 7.256 -5.018) 11.352 15.368 ( 1.045 -13.358 -0.922) 13.430 15.521 ( -3.296 -6.597 4.581) 8.681 16.020 ( -5.974 5.153 4.031) 8.860 16.349 ( -5.887 -7.024 -5.998) 10.953 16.432 ( -7.856 12.879 -1.116) 15.127 17.002 ( 2.298 -4.506 -2.360) 5.581 18.219 ( 5.394 17.438 1.774) 18.340 18.787 ( 5.821 1.062 0.705) 5.959 19.241 ( 2.021 0.890 3.098) 3.804 19.451 ( 2.197 -3.488 5.453) 6.836 19.892 ( -4.811 2.873 -1.838) 5.897 19.914 ( -2.989 3.328 -4.718) 6.501 20.151 ( 0.463 -4.474 -0.459) 4.521 20.563 ( 2.418 -16.655 0.275) 16.832 21.357 ( -2.431 4.547 0.296) 5.164 21.451 ( 0.760 -0.770 -1.039) 1.500 22.040 ( 1.883 1.418 -0.114) 2.360 22.205 ( -3.613 -2.767 0.339) 4.563 ======================= Grid point 24 (16/125) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -2.420 12.092 -3.277) 12.760 2.266 ( 11.306 0.818 4.770) 12.298 2.376 ( -0.395 -2.988 -1.363) 3.308 2.647 ( 6.410 19.416 -2.717) 20.626 2.721 ( -2.323 1.391 4.858) 5.562 2.876 ( -3.888 13.582 -5.943) 15.327 2.941 ( -8.124 -2.593 0.039) 8.528 3.240 ( -0.323 4.580 3.267) 5.635 3.373 ( -0.035 -6.843 -3.685) 7.773 3.687 ( 0.282 -11.779 0.752) 11.806 3.857 ( -1.434 -0.273 -0.353) 1.502 3.885 ( 0.321 -12.768 -0.079) 12.773 4.064 ( 14.527 2.487 -0.518) 14.748 4.363 ( -11.296 5.700 -2.027) 12.814 4.511 ( 1.693 8.969 1.990) 9.342 4.625 ( -0.307 3.912 -0.835) 4.012 5.014 ( -1.029 4.701 0.277) 4.821 5.245 ( 5.592 -2.362 1.844) 6.344 5.360 ( -0.522 -7.572 0.802) 7.632 5.493 ( 0.730 2.144 -1.378) 2.651 5.695 ( 1.962 5.200 3.087) 6.358 6.001 ( -0.492 -3.308 -1.792) 3.794 6.189 ( 2.173 -9.159 0.115) 9.414 6.306 ( 1.888 8.401 3.720) 9.380 6.366 ( -0.044 -1.534 -3.773) 4.074 6.748 ( 2.162 12.151 3.608) 12.858 6.821 ( -1.174 -3.871 -1.560) 4.336 7.392 ( 2.538 -6.768 1.290) 7.342 7.491 ( 2.700 -2.890 0.727) 4.021 7.787 ( -2.931 -6.112 -3.410) 7.588 8.593 ( -1.373 9.612 1.384) 9.808 8.695 ( -0.823 2.406 0.811) 2.669 8.812 ( -2.356 0.387 -0.961) 2.574 9.004 ( -1.974 7.148 -2.873) 7.953 9.208 ( -0.579 -3.336 -0.098) 3.387 9.308 ( -2.636 -6.016 1.941) 6.849 9.510 ( 0.703 -0.489 -0.181) 0.876 9.679 ( -2.739 -5.428 0.702) 6.120 9.866 ( 1.028 9.427 -0.995) 9.535 10.435 ( 3.836 -1.741 0.699) 4.270 10.732 ( -1.196 5.840 0.714) 6.004 10.824 ( -4.517 5.425 -1.421) 7.201 11.451 ( 0.172 11.736 0.149) 11.739 11.935 ( -1.262 12.934 0.098) 12.995 12.033 ( 0.416 -6.625 1.878) 6.899 12.178 ( 1.710 -2.249 0.600) 2.888 12.223 ( -1.091 -3.126 -1.354) 3.577 12.602 ( 0.738 -8.980 2.971) 9.487 12.699 ( -3.159 3.405 -4.561) 6.510 13.235 ( 1.637 -9.099 0.685) 9.271 13.439 ( 2.459 7.360 -0.218) 7.763 13.794 ( 4.285 -0.076 0.151) 4.288 14.625 ( 4.677 11.374 0.509) 12.308 14.786 ( -2.706 9.236 -1.570) 9.751 15.393 ( 0.632 -13.540 0.144) 13.556 15.458 ( -3.145 -6.961 1.323) 7.752 15.980 ( 0.426 -0.035 2.608) 2.643 16.183 ( -7.256 -5.335 -2.405) 9.322 16.363 ( -0.808 13.140 -1.467) 13.247 17.023 ( 0.675 -5.611 -1.084) 5.754 18.290 ( 1.699 20.599 0.604) 20.678 18.877 ( 2.915 1.811 0.587) 3.482 19.285 ( 1.403 2.317 1.908) 3.313 19.499 ( 0.848 -2.625 2.188) 3.521 19.804 ( -2.681 1.714 -0.678) 3.253 19.856 ( -1.555 2.345 -2.763) 3.944 20.171 ( 0.919 -4.206 -0.098) 4.306 20.590 ( 0.609 -19.191 0.038) 19.201 21.324 ( -0.960 5.117 0.044) 5.206 21.460 ( 0.337 -1.513 -0.303) 1.579 22.076 ( 1.701 1.246 -0.134) 2.112 22.148 ( -2.276 -1.036 0.236) 2.512 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 17.249 0.000) 17.249 2.225 ( 0.000 -4.195 0.000) 4.195 2.366 ( 0.000 7.735 0.000) 7.735 2.579 ( 0.000 -12.396 0.000) 12.396 2.878 ( 0.000 27.272 0.000) 27.272 3.166 ( 0.000 1.678 0.000) 1.678 3.264 ( 0.000 -2.528 0.000) 2.528 3.293 ( 0.000 -3.861 0.000) 3.861 3.401 ( 0.000 3.951 0.000) 3.951 3.480 ( 0.000 -15.585 0.000) 15.585 3.508 ( 0.000 2.004 0.000) 2.004 3.832 ( 0.000 -19.507 0.000) 19.507 4.059 ( 0.000 5.488 0.000) 5.488 4.166 ( 0.000 -3.748 0.000) 3.748 4.625 ( 0.000 17.560 0.000) 17.560 4.825 ( 0.000 -2.325 0.000) 2.325 4.978 ( 0.000 0.479 0.000) 0.479 5.032 ( 0.000 -5.133 0.000) 5.133 5.319 ( 0.000 6.810 0.000) 6.810 5.421 ( 0.000 -0.224 0.000) 0.224 5.582 ( 0.000 9.396 0.000) 9.396 5.808 ( 0.000 -9.053 0.000) 9.053 6.232 ( 0.000 11.984 0.000) 11.984 6.271 ( 0.000 1.874 0.000) 1.874 6.294 ( 0.000 -2.115 0.000) 2.115 6.641 ( 0.000 -25.659 0.000) 25.659 6.729 ( 0.000 3.671 0.000) 3.671 6.765 ( 0.000 -0.593 0.000) 0.593 7.570 ( 0.000 6.324 0.000) 6.324 7.702 ( 0.000 -6.851 0.000) 6.851 8.814 ( 0.000 3.078 0.000) 3.078 8.834 ( 0.000 1.047 0.000) 1.047 9.107 ( 0.000 3.374 0.000) 3.374 9.185 ( 0.000 -4.564 0.000) 4.564 9.347 ( 0.000 3.603 0.000) 3.603 9.414 ( 0.000 -2.351 0.000) 2.351 9.652 ( 0.000 7.235 0.000) 7.235 9.764 ( 0.000 -2.268 0.000) 2.268 9.948 ( 0.000 4.754 0.000) 4.754 10.084 ( 0.000 -6.932 0.000) 6.932 11.048 ( 0.000 4.671 0.000) 4.671 11.091 ( 0.000 0.742 0.000) 0.742 11.637 ( 0.000 8.281 0.000) 8.281 11.783 ( 0.000 -6.826 0.000) 6.826 12.168 ( 0.000 7.424 0.000) 7.424 12.229 ( 0.000 5.114 0.000) 5.114 12.322 ( 0.000 -7.380 0.000) 7.380 12.352 ( 0.000 -6.952 0.000) 6.952 13.047 ( 0.000 3.912 0.000) 3.912 13.092 ( 0.000 -0.569 0.000) 0.569 13.291 ( 0.000 3.663 0.000) 3.663 13.367 ( 0.000 -3.050 0.000) 3.050 14.405 ( 0.000 15.358 0.000) 15.358 14.746 ( 0.000 -16.925 0.000) 16.925 15.402 ( 0.000 1.473 0.000) 1.473 15.461 ( 0.000 -4.025 0.000) 4.025 16.370 ( 0.000 2.773 0.000) 2.773 16.396 ( 0.000 0.278 0.000) 0.278 16.843 ( 0.000 1.678 0.000) 1.678 16.864 ( 0.000 -0.439 0.000) 0.439 18.322 ( 0.000 13.226 0.000) 13.226 18.539 ( 0.000 -7.450 0.000) 7.450 19.210 ( 0.000 3.564 0.000) 3.564 19.305 ( 0.000 -5.085 0.000) 5.085 19.995 ( 0.000 1.658 0.000) 1.658 20.019 ( 0.000 -0.140 0.000) 0.140 20.210 ( 0.000 -0.267 0.000) 0.267 20.270 ( 0.000 -5.809 0.000) 5.809 21.458 ( 0.000 1.158 0.000) 1.158 21.465 ( 0.000 0.580 0.000) 0.580 22.053 ( 0.000 4.051 0.000) 4.051 22.162 ( 0.000 -6.586 0.000) 6.586 ======================= Grid point 29 (18/125) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 3.766 14.410 0.378) 14.899 2.247 ( 2.066 -4.335 -0.584) 4.837 2.380 ( 0.372 7.728 -0.313) 7.743 2.582 ( -0.079 -12.092 -0.662) 12.111 2.886 ( 2.101 25.537 -3.384) 25.846 3.114 ( -2.217 1.493 -6.693) 7.207 3.238 ( -3.128 -1.175 1.987) 3.887 3.306 ( 0.800 -0.922 7.631) 7.728 3.418 ( -1.085 -9.133 -5.675) 10.807 3.490 ( 3.145 8.426 -3.082) 9.507 3.534 ( 0.960 -11.565 7.187) 13.649 3.778 ( -4.173 -14.710 -4.223) 15.863 4.049 ( 0.008 8.057 -0.985) 8.117 4.210 ( 5.032 -7.396 -2.452) 9.275 4.654 ( 2.392 16.633 1.673) 16.887 4.863 ( 3.299 -3.239 1.975) 5.027 4.992 ( -0.203 1.360 -0.972) 1.684 5.082 ( 4.513 -6.607 -2.840) 8.490 5.246 ( -4.071 7.207 3.860) 9.133 5.375 ( -2.969 -4.973 0.218) 5.796 5.659 ( 5.417 12.035 4.485) 13.939 5.879 ( 4.375 -8.376 0.557) 9.466 6.208 ( -2.424 9.837 0.153) 10.133 6.299 ( 4.136 5.940 -2.478) 7.651 6.309 ( 0.792 -2.511 -0.316) 2.652 6.649 ( 1.220 -22.336 -0.034) 22.369 6.759 ( 2.577 3.740 3.271) 5.597 6.821 ( 5.977 -3.573 1.176) 7.062 7.571 ( 0.173 6.502 -0.996) 6.580 7.707 ( 0.428 -7.049 -0.677) 7.094 8.796 ( -2.229 3.317 1.855) 4.406 8.824 ( -1.154 0.929 0.481) 1.558 9.059 ( -3.749 4.287 -4.992) 7.573 9.153 ( -2.479 -4.653 -3.380) 6.263 9.333 ( -2.696 2.891 3.270) 5.130 9.392 ( -3.375 -2.667 3.056) 5.277 9.585 ( -4.674 6.635 -3.665) 8.905 9.719 ( -4.830 -5.719 0.796) 7.528 9.975 ( 3.185 8.536 0.031) 9.111 10.141 ( 4.895 -6.907 1.300) 8.565 11.001 ( -4.359 5.391 -0.386) 6.944 11.064 ( -3.325 -0.455 0.674) 3.423 11.647 ( 0.986 9.263 0.388) 9.324 11.809 ( 2.051 -7.178 1.910) 7.706 12.140 ( -1.352 5.438 -3.645) 6.685 12.228 ( -2.038 3.972 2.067) 4.920 12.265 ( -2.073 -3.366 -3.331) 5.169 12.384 ( 0.771 -7.772 4.461) 8.994 13.023 ( -3.884 3.948 -2.122) 5.931 13.076 ( -0.321 -0.981 -0.083) 1.035 13.347 ( 5.841 4.064 -1.100) 7.200 13.435 ( 7.235 -3.673 -0.183) 8.116 14.481 ( 7.134 14.415 2.949) 16.352 14.796 ( 4.635 -15.346 2.694) 16.256 15.351 ( -4.531 2.358 -4.189) 6.606 15.435 ( -2.800 -5.324 0.175) 6.018 16.287 ( -7.623 5.025 1.085) 9.195 16.363 ( -4.310 -2.823 -1.582) 5.390 16.768 ( -5.065 6.528 -1.470) 8.393 16.881 ( 0.478 -4.618 -1.820) 4.987 18.392 ( 6.532 13.479 2.139) 15.130 18.607 ( 6.266 -7.124 1.626) 9.626 19.231 ( 1.622 3.448 2.769) 4.710 19.321 ( 1.211 -4.811 3.127) 5.864 19.991 ( -0.704 2.170 -1.177) 2.567 20.027 ( 1.191 -0.001 -0.244) 1.216 20.147 ( -5.140 1.869 -3.650) 6.576 20.272 ( -0.277 -9.264 -1.361) 9.368 21.449 ( -1.206 1.237 0.467) 1.790 21.455 ( -0.378 0.496 -1.224) 1.374 22.062 ( 0.779 3.670 0.341) 3.767 22.156 ( -0.684 -5.534 0.506) 5.599 ======================= Grid point 30 (19/125) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 5.065 7.374 1.001) 9.002 2.280 ( 1.172 -2.564 -0.055) 2.820 2.345 ( -3.341 7.374 -2.024) 8.345 2.557 ( -2.326 -12.138 0.518) 12.370 2.952 ( 5.973 21.452 -3.581) 22.554 3.075 ( 0.239 5.341 -4.929) 7.271 3.217 ( 0.725 -0.891 -2.558) 2.804 3.300 ( -3.423 5.968 4.164) 8.042 3.397 ( 0.954 -6.282 -1.615) 6.556 3.476 ( -4.475 2.206 -1.796) 5.302 3.577 ( 1.362 -13.648 3.665) 14.197 3.697 ( -2.966 -12.641 -1.284) 13.048 4.095 ( 6.160 12.229 -2.406) 13.903 4.317 ( 6.453 -9.506 -2.280) 11.713 4.709 ( 2.493 14.292 2.011) 14.647 4.895 ( -7.811 7.261 -3.195) 11.133 4.948 ( 4.771 -5.622 2.222) 7.701 5.118 ( -0.599 -9.295 0.820) 9.350 5.276 ( 3.652 6.699 3.096) 8.234 5.400 ( 5.142 -4.737 1.450) 7.140 5.745 ( 2.059 7.781 3.444) 8.755 5.911 ( -0.387 -8.407 -2.527) 8.788 6.161 ( -2.519 7.513 1.146) 8.007 6.303 ( -1.099 -4.799 -0.155) 4.926 6.408 ( 7.243 10.229 -1.677) 12.646 6.677 ( 0.975 -13.891 1.515) 14.007 6.852 ( 6.158 6.938 4.165) 10.169 6.996 ( 11.273 -9.406 3.011) 14.987 7.564 ( -0.497 6.433 -2.232) 6.827 7.701 ( -0.805 -7.171 -2.472) 7.627 8.752 ( -2.950 3.625 2.409) 5.258 8.798 ( -1.751 0.332 0.833) 1.967 8.951 ( -5.772 6.518 -4.213) 9.671 9.089 ( -2.810 -4.891 -3.040) 6.408 9.251 ( -6.192 1.977 0.941) 6.567 9.302 ( -6.527 -3.581 1.364) 7.568 9.518 ( -1.418 3.766 -1.625) 4.340 9.626 ( -4.246 -6.315 -0.139) 7.611 10.052 ( 4.291 11.465 0.810) 12.269 10.247 ( 5.514 -7.280 1.751) 9.299 10.907 ( -5.054 5.328 -0.028) 7.344 10.976 ( -5.789 -1.033 0.162) 5.883 11.671 ( 1.103 10.552 0.447) 10.619 11.855 ( 1.800 -7.897 1.859) 8.310 12.119 ( 0.679 3.172 -3.298) 4.626 12.171 ( -2.062 -0.146 -2.737) 3.430 12.240 ( -1.912 4.274 2.698) 5.404 12.401 ( -0.532 -9.107 4.069) 9.989 12.918 ( -5.056 7.063 -4.095) 9.603 13.062 ( -1.056 -6.703 -1.754) 7.009 13.482 ( 7.932 6.748 0.659) 10.435 13.603 ( 9.390 -4.654 0.932) 10.522 14.662 ( 10.107 12.440 3.784) 16.469 14.913 ( 5.789 -9.811 3.951) 12.058 15.223 ( -6.537 2.726 -5.837) 9.178 15.360 ( -4.825 -8.495 -1.389) 9.868 16.130 ( -8.666 5.308 1.713) 10.306 16.232 ( -8.394 -5.037 -1.227) 9.866 16.683 ( -2.974 11.379 -2.106) 11.948 16.878 ( 0.125 -7.968 -2.397) 8.322 18.540 ( 7.369 13.846 2.602) 15.899 18.745 ( 6.974 -6.050 1.853) 9.417 19.286 ( 2.897 3.655 4.281) 6.331 19.372 ( 2.797 -4.424 4.879) 7.156 19.954 ( -2.670 3.580 -2.184) 4.972 20.016 ( -6.641 4.045 -5.394) 9.464 20.059 ( 2.033 -1.140 -0.426) 2.369 20.250 ( -1.171 -13.636 -1.910) 13.819 21.423 ( -1.334 2.157 -0.158) 2.541 21.447 ( -0.260 -0.342 -0.486) 0.649 22.081 ( 1.082 2.634 0.337) 2.867 22.142 ( -0.957 -3.294 0.542) 3.473 ======================= Grid point 31 (20/125) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.729 5.081 0.988) 5.228 2.282 ( -1.047 3.959 -2.561) 4.830 2.296 ( 0.339 -1.071 1.108) 1.578 2.521 ( -1.265 -13.315 0.628) 13.390 3.056 ( 5.116 17.246 -1.718) 18.071 3.076 ( 0.658 11.887 -2.171) 12.101 3.233 ( 1.984 4.682 -9.135) 10.455 3.245 ( -3.319 5.424 7.363) 9.728 3.357 ( -5.042 7.280 2.800) 9.288 3.433 ( 1.616 -10.917 -2.903) 11.411 3.599 ( 0.148 -15.356 0.578) 15.368 3.650 ( -1.752 -15.230 1.290) 15.385 4.233 ( 7.246 9.819 -1.358) 12.279 4.389 ( 0.788 -4.452 -0.814) 4.594 4.740 ( -1.333 10.111 1.750) 10.348 4.769 ( -1.940 11.374 -2.076) 11.724 5.033 ( 3.036 -5.461 0.651) 6.282 5.098 ( -1.158 -11.708 1.108) 11.817 5.324 ( 0.645 8.659 0.998) 8.740 5.503 ( 3.647 -5.143 1.057) 6.393 5.767 ( -0.095 3.793 1.126) 3.958 5.887 ( -0.415 -7.216 -2.173) 7.548 6.131 ( -0.939 5.427 0.708) 5.553 6.280 ( -0.917 -6.758 -0.257) 6.825 6.509 ( 3.062 9.700 -0.045) 10.172 6.690 ( 0.110 -8.169 0.679) 8.198 6.985 ( 4.967 10.920 2.669) 12.290 7.197 ( 6.969 -10.556 2.831) 12.962 7.539 ( -0.907 5.141 -1.712) 5.494 7.659 ( -2.078 -6.409 -2.757) 7.280 8.720 ( -0.847 2.297 1.909) 3.104 8.769 ( -1.365 -1.888 0.109) 2.332 8.842 ( -3.580 10.930 -1.928) 11.662 9.042 ( -1.243 -5.518 -0.896) 5.727 9.168 ( -1.895 -0.287 0.235) 1.931 9.193 ( -4.231 -3.458 -0.329) 5.474 9.503 ( -0.132 1.686 -0.412) 1.741 9.574 ( -1.311 -4.791 -0.062) 4.967 10.118 ( 2.004 13.084 0.463) 13.245 10.337 ( 2.913 -8.137 0.877) 8.687 10.834 ( -2.254 4.048 0.300) 4.643 10.879 ( -3.519 0.008 -0.377) 3.539 11.686 ( 0.362 11.059 0.170) 11.067 11.881 ( 0.586 -8.420 0.568) 8.459 12.142 ( 2.152 2.764 -3.359) 4.853 12.148 ( 0.158 0.305 -0.171) 0.384 12.203 ( -2.727 5.521 2.534) 6.659 12.397 ( -0.689 -10.575 1.884) 10.764 12.836 ( -2.069 9.137 -2.103) 9.601 13.037 ( -0.681 -10.329 -1.077) 10.407 13.605 ( 3.952 8.309 0.728) 9.229 13.743 ( 4.305 -4.949 0.639) 6.590 14.837 ( 6.025 10.810 2.213) 12.572 14.992 ( 0.723 7.467 2.106) 7.792 15.122 ( -1.456 -9.296 -3.088) 9.903 15.266 ( -3.604 -11.257 -1.598) 11.927 16.017 ( -3.231 3.162 1.007) 4.631 16.089 ( -5.124 -3.992 -0.474) 6.513 16.644 ( -0.742 13.261 -0.998) 13.319 16.873 ( 0.063 -9.426 -1.083) 9.488 18.647 ( 2.845 14.379 1.055) 14.695 18.848 ( 2.991 -5.483 0.813) 6.299 19.355 ( 2.438 4.337 2.853) 5.735 19.438 ( 1.968 -3.587 2.735) 4.922 19.879 ( -3.584 5.033 -1.923) 6.471 19.907 ( -2.421 2.340 -3.014) 4.519 20.089 ( 1.047 -1.940 -0.200) 2.213 20.227 ( -0.582 -15.047 -0.760) 15.078 21.405 ( -0.521 2.915 -0.068) 2.962 21.443 ( -0.076 -0.994 -0.130) 1.006 22.101 ( 0.889 1.269 0.095) 1.552 22.126 ( -0.831 -1.197 0.240) 1.477 ======================= Grid point 63 (21/125) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 10.789 0.000 25.896) 28.054 0.740 ( -0.104 0.000 38.900) 38.900 1.177 ( -1.526 0.000 61.156) 61.175 1.906 ( -3.780 0.000 -3.976) 5.486 2.621 ( -0.234 0.000 -0.969) 0.997 2.843 ( -4.545 0.000 -3.163) 5.537 3.004 ( 1.843 0.000 4.484) 4.848 3.071 ( -1.608 0.000 0.992) 1.889 3.603 ( 28.541 0.000 -0.383) 28.544 3.857 ( 2.298 0.000 -20.308) 20.438 4.149 ( 13.188 0.000 -6.304) 14.618 4.215 ( 4.496 0.000 8.479) 9.597 4.354 ( -13.093 0.000 4.130) 13.729 4.483 ( 0.872 0.000 10.204) 10.241 4.538 ( 1.503 0.000 12.340) 12.431 4.699 ( -6.223 0.000 9.645) 11.479 4.854 ( 1.583 0.000 -2.135) 2.658 4.965 ( -4.156 0.000 0.799) 4.232 5.213 ( -4.860 0.000 -5.305) 7.195 5.362 ( 1.688 0.000 -14.310) 14.409 5.632 ( -2.345 0.000 -1.988) 3.074 5.979 ( -1.573 0.000 -10.098) 10.220 6.025 ( -2.029 0.000 -2.672) 3.355 6.261 ( 7.945 0.000 5.990) 9.950 6.339 ( 2.289 0.000 12.542) 12.749 6.595 ( -3.796 0.000 8.392) 9.210 6.601 ( 5.131 0.000 -6.986) 8.668 7.763 ( 7.987 0.000 -1.896) 8.209 7.900 ( 2.597 0.000 -5.486) 6.070 7.964 ( 1.512 0.000 -8.983) 9.110 7.979 ( -1.555 0.000 3.784) 4.091 8.443 ( -0.552 0.000 -1.277) 1.391 8.549 ( -0.405 0.000 -5.742) 5.756 9.049 ( -4.719 0.000 4.791) 6.725 9.101 ( -0.214 0.000 -7.907) 7.910 9.126 ( -3.863 0.000 11.393) 12.030 9.549 ( -4.369 0.000 -4.741) 6.447 9.821 ( 5.662 0.000 3.172) 6.490 10.289 ( 0.088 0.000 -4.358) 4.359 10.642 ( 0.718 0.000 9.672) 9.699 10.689 ( -0.794 0.000 -9.614) 9.647 11.063 ( 1.151 0.000 -1.247) 1.698 11.090 ( -2.309 0.000 2.527) 3.424 11.995 ( 0.194 0.000 2.458) 2.465 12.017 ( -10.485 0.000 4.655) 11.472 12.407 ( 1.838 0.000 0.442) 1.890 12.551 ( 24.559 0.000 0.878) 24.575 12.641 ( 1.006 0.000 -2.547) 2.739 12.995 ( 2.020 0.000 0.304) 2.043 13.204 ( -11.685 0.000 -1.578) 11.791 13.238 ( -70.638 0.000 -1.900) 70.663 13.238 ( -3.320 0.000 -3.123) 4.558 13.927 ( 1.304 0.000 4.077) 4.280 14.332 ( 0.325 0.000 -1.476) 1.512 15.735 ( 7.228 0.000 -0.568) 7.251 15.763 ( -2.273 0.000 -1.940) 2.989 16.148 ( 53.122 0.000 1.976) 53.159 16.441 ( -46.060 0.000 1.861) 46.098 16.482 ( 0.119 0.000 -1.833) 1.837 16.598 ( 1.900 0.000 2.008) 2.764 17.787 ( -8.679 0.000 1.007) 8.737 18.277 ( 7.984 0.000 13.649) 15.812 19.125 ( 2.344 0.000 -10.009) 10.280 19.776 ( -0.698 0.000 -6.162) 6.201 19.809 ( -0.662 0.000 -1.501) 1.641 19.988 ( -2.865 0.000 4.368) 5.223 20.367 ( -6.822 0.000 -6.094) 9.147 20.861 ( 16.802 0.000 -15.837) 23.089 21.527 ( 2.465 0.000 6.834) 7.265 21.796 ( 7.849 0.000 10.344) 12.985 21.978 ( 0.070 0.000 -0.861) 0.864 22.061 ( -0.315 0.000 1.833) 1.860 ======================= Grid point 64 (22/125) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -1.279 0.000 33.614) 33.638 1.045 ( 24.150 0.000 24.966) 34.735 1.594 ( 26.663 0.000 44.274) 51.683 1.928 ( 8.087 0.000 -4.278) 9.148 2.595 ( -1.801 0.000 -0.109) 1.805 2.732 ( -8.820 0.000 1.471) 8.942 3.038 ( 2.088 0.000 0.997) 2.314 3.109 ( 5.070 0.000 -0.538) 5.099 3.839 ( 3.999 0.000 -22.349) 22.704 3.909 ( 6.064 0.000 -7.809) 9.887 4.083 ( -16.469 0.000 6.112) 17.567 4.273 ( 0.182 0.000 13.635) 13.636 4.330 ( 7.810 0.000 -10.155) 12.811 4.453 ( -5.684 0.000 10.729) 12.142 4.619 ( -5.102 0.000 5.328) 7.377 4.860 ( 10.870 0.000 -2.839) 11.235 4.868 ( -3.107 0.000 -7.911) 8.499 4.919 ( 4.078 0.000 -2.424) 4.744 5.076 ( -4.124 0.000 -8.261) 9.233 5.392 ( 5.071 0.000 -5.030) 7.142 5.550 ( -3.146 0.000 -2.359) 3.932 5.877 ( -4.504 0.000 -7.615) 8.847 6.018 ( 0.268 0.000 -2.591) 2.605 6.371 ( -3.067 0.000 10.818) 11.244 6.457 ( 10.081 0.000 5.926) 11.694 6.604 ( 1.114 0.000 10.224) 10.285 6.649 ( 1.728 0.000 -4.003) 4.360 7.867 ( -2.254 0.000 -4.206) 4.772 7.897 ( 4.129 0.000 -4.346) 5.995 7.959 ( 0.734 0.000 0.861) 1.132 8.013 ( 4.893 0.000 -8.167) 9.521 8.419 ( -1.612 0.000 -2.452) 2.935 8.505 ( -2.264 0.000 -8.526) 8.821 8.895 ( -9.413 0.000 10.708) 14.257 9.026 ( -3.748 0.000 -10.968) 11.590 9.239 ( 9.044 0.000 5.224) 10.445 9.468 ( -2.969 0.000 -1.047) 3.148 9.959 ( 7.697 0.000 2.821) 8.198 10.240 ( -4.448 0.000 -5.383) 6.983 10.600 ( -5.083 0.000 -9.509) 10.782 10.610 ( -6.774 0.000 14.399) 15.913 10.961 ( -20.618 0.000 13.979) 24.910 11.082 ( 1.376 0.000 -1.768) 2.241 11.267 ( -28.751 0.000 37.001) 46.858 12.021 ( 1.562 0.000 1.929) 2.482 12.379 ( -3.160 0.000 4.308) 5.343 12.436 ( 1.149 0.000 -0.160) 1.160 12.660 ( 1.669 0.000 -2.941) 3.382 12.999 ( -1.140 0.000 0.839) 1.415 13.146 ( 6.928 0.000 -8.911) 11.287 13.274 ( 6.842 0.000 -2.174) 7.179 13.364 ( 16.168 0.000 -5.696) 17.142 13.968 ( 2.049 0.000 5.177) 5.567 14.340 ( 0.984 0.000 -1.808) 2.059 15.729 ( -0.137 0.000 -3.643) 3.645 15.821 ( -17.879 0.000 15.882) 23.914 15.921 ( 12.070 0.000 3.802) 12.655 16.237 ( -17.658 0.000 -0.936) 17.683 16.815 ( 12.134 0.000 1.406) 12.215 16.877 ( 17.772 0.000 -29.717) 34.626 17.578 ( -12.718 0.000 2.329) 12.930 18.501 ( 9.298 0.000 15.313) 17.915 19.134 ( 2.276 0.000 -9.945) 10.202 19.701 ( -5.314 0.000 -8.923) 10.385 19.803 ( -0.769 0.000 -2.354) 2.477 19.944 ( -1.652 0.000 2.392) 2.907 20.100 ( -7.143 0.000 -4.015) 8.194 21.013 ( 3.576 0.000 -1.939) 4.068 21.408 ( -10.761 0.000 22.982) 25.377 21.979 ( 0.332 0.000 -0.906) 0.965 22.005 ( 6.552 0.000 -7.862) 10.234 22.057 ( -0.828 0.000 1.758) 1.944 ======================= Grid point 65 (23/125) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -2.964 0.000 24.209) 24.390 1.497 ( 15.934 0.000 29.055) 33.137 2.135 ( 11.881 0.000 1.521) 11.978 2.259 ( 19.976 0.000 14.534) 24.703 2.566 ( -2.266 0.000 16.736) 16.889 2.601 ( 4.078 0.000 1.461) 4.332 3.107 ( 5.523 0.000 -3.809) 6.709 3.192 ( 1.404 0.000 -1.936) 2.391 3.823 ( 0.361 0.000 -18.782) 18.785 3.824 ( -11.818 0.000 3.905) 12.446 3.923 ( -0.274 0.000 -7.196) 7.201 4.297 ( -4.365 0.000 13.117) 13.824 4.349 ( -0.087 0.000 -11.728) 11.728 4.395 ( -2.583 0.000 9.391) 9.740 4.505 ( -8.953 0.000 -0.940) 9.002 4.801 ( -6.601 0.000 4.703) 8.105 4.829 ( 0.242 0.000 -6.545) 6.550 4.989 ( 5.941 0.000 -4.215) 7.284 5.089 ( 2.257 0.000 -2.675) 3.500 5.474 ( 4.247 0.000 -6.747) 7.972 5.548 ( 3.103 0.000 2.120) 3.758 5.798 ( -1.031 0.000 -7.864) 7.931 5.995 ( -2.198 0.000 0.277) 2.216 6.318 ( -5.935 0.000 9.790) 11.448 6.599 ( -0.595 0.000 0.161) 0.617 6.675 ( 6.008 0.000 -1.928) 6.310 6.678 ( 2.727 0.000 9.580) 9.961 7.806 ( -2.932 0.000 -3.770) 4.776 7.904 ( -0.237 0.000 2.336) 2.348 8.005 ( 2.168 0.000 -4.137) 4.670 8.089 ( 6.405 0.000 -4.898) 8.063 8.346 ( -5.166 0.000 -6.395) 8.221 8.422 ( -3.359 0.000 -3.530) 4.873 8.807 ( -4.255 0.000 9.063) 10.012 8.929 ( -1.898 0.000 -10.099) 10.275 9.431 ( -1.204 0.000 1.481) 1.908 9.434 ( 10.712 0.000 -3.436) 11.249 10.093 ( -8.016 0.000 -5.198) 9.554 10.118 ( 8.359 0.000 2.441) 8.709 10.447 ( -7.661 0.000 -9.034) 11.845 10.549 ( -8.316 0.000 24.308) 25.691 10.671 ( -10.441 0.000 16.451) 19.484 11.098 ( 0.932 0.000 -2.510) 2.678 11.160 ( -2.937 0.000 13.768) 14.078 12.058 ( 1.787 0.000 0.603) 1.886 12.384 ( 1.018 0.000 0.808) 1.300 12.442 ( -0.301 0.000 -2.311) 2.331 12.674 ( 1.420 0.000 -5.132) 5.325 12.991 ( -0.098 0.000 0.681) 0.688 13.193 ( 2.249 0.000 -4.525) 5.053 13.408 ( 6.355 0.000 1.878) 6.627 13.609 ( 11.620 0.000 -3.677) 12.188 14.064 ( 6.669 0.000 5.145) 8.423 14.352 ( 1.049 0.000 -2.553) 2.760 15.630 ( -8.992 0.000 10.617) 13.913 15.716 ( -3.159 0.000 -4.203) 5.257 15.894 ( -14.307 0.000 -1.433) 14.378 16.241 ( 19.382 0.000 7.743) 20.871 16.837 ( -7.755 0.000 -26.138) 27.265 17.010 ( 7.965 0.000 0.933) 8.019 17.368 ( -10.487 0.000 6.204) 12.185 18.696 ( 5.550 0.000 13.574) 14.665 19.142 ( 2.277 0.000 -10.691) 10.930 19.562 ( -4.269 0.000 -13.590) 14.245 19.742 ( -3.420 0.000 -2.435) 4.199 19.967 ( 2.276 0.000 1.613) 2.790 20.062 ( 1.366 0.000 -3.301) 3.572 21.046 ( 0.573 0.000 1.969) 2.050 21.317 ( -7.624 0.000 22.493) 23.750 21.984 ( 0.424 0.000 -0.718) 0.834 22.045 ( -0.901 0.000 1.456) 1.712 22.051 ( 2.246 0.000 -6.968) 7.321 ======================= Grid point 66 (24/125) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -4.563 0.000 18.798) 19.344 1.797 ( 1.693 0.000 20.571) 20.640 2.189 ( -7.463 0.000 14.995) 16.750 2.289 ( 3.255 0.000 7.052) 7.767 2.797 ( 13.498 0.000 2.049) 13.653 2.894 ( 6.509 0.000 9.293) 11.346 3.087 ( -9.319 0.000 -0.809) 9.354 3.249 ( 13.002 0.000 -2.547) 13.249 3.665 ( -12.070 0.000 -8.229) 14.608 3.670 ( -6.798 0.000 -4.581) 8.197 3.897 ( 1.431 0.000 -13.672) 13.747 4.157 ( -9.077 0.000 -7.054) 11.496 4.377 ( 8.728 0.000 -5.824) 10.493 4.394 ( 0.265 0.000 7.237) 7.242 4.432 ( -0.205 0.000 16.641) 16.643 4.764 ( -0.639 0.000 7.595) 7.622 4.777 ( -4.320 0.000 -0.487) 4.347 5.120 ( 1.398 0.000 4.769) 4.970 5.121 ( 9.073 0.000 -8.310) 12.304 5.518 ( 3.368 0.000 -7.343) 8.079 5.597 ( -0.337 0.000 1.759) 1.791 5.780 ( 1.981 0.000 -8.660) 8.884 5.951 ( -2.704 0.000 3.379) 4.328 6.230 ( -6.408 0.000 8.819) 10.901 6.527 ( -3.949 0.000 -5.200) 6.530 6.754 ( 1.500 0.000 9.699) 9.815 6.755 ( 1.417 0.000 -4.056) 4.297 7.753 ( -0.698 0.000 -2.093) 2.206 7.918 ( 0.845 0.000 0.397) 0.934 7.993 ( -2.047 0.000 -1.488) 2.530 8.187 ( -7.856 0.000 -11.768) 14.150 8.225 ( 8.820 0.000 -1.643) 8.971 8.382 ( 0.088 0.000 -1.480) 1.482 8.789 ( -1.161 0.000 10.912) 10.974 8.898 ( 1.399 0.000 -6.958) 7.097 9.433 ( 0.661 0.000 2.958) 3.031 9.588 ( 7.167 0.000 -10.877) 13.026 9.940 ( -5.539 0.000 -5.078) 7.514 10.242 ( -4.610 0.000 -3.777) 5.960 10.307 ( 4.835 0.000 -3.429) 5.927 10.431 ( -9.939 0.000 23.035) 25.088 10.676 ( 1.151 0.000 16.988) 17.027 11.096 ( -0.035 0.000 -3.501) 3.502 11.164 ( -1.516 0.000 10.858) 10.963 12.089 ( 1.258 0.000 0.516) 1.360 12.397 ( 0.073 0.000 -0.764) 0.767 12.406 ( -1.851 0.000 -5.835) 6.121 12.685 ( 1.707 0.000 -6.268) 6.496 12.984 ( -1.063 0.000 0.592) 1.217 13.215 ( 1.489 0.000 -2.918) 3.276 13.510 ( 3.537 0.000 5.704) 6.712 13.793 ( 8.639 0.000 3.408) 9.287 14.200 ( 3.390 0.000 2.332) 4.115 14.359 ( 0.777 0.000 -3.228) 3.320 15.500 ( -9.118 0.000 -2.020) 9.339 15.519 ( -6.463 0.000 5.862) 8.725 15.845 ( 2.674 0.000 -2.128) 3.418 16.515 ( -16.093 0.000 -18.885) 24.812 16.680 ( 23.961 0.000 7.276) 25.042 17.099 ( 1.222 0.000 -0.162) 1.232 17.261 ( -3.216 0.000 9.921) 10.429 18.759 ( -3.274 0.000 7.427) 8.116 19.147 ( 2.343 0.000 -11.392) 11.631 19.457 ( -1.690 0.000 -17.298) 17.381 19.718 ( 1.906 0.000 1.386) 2.356 20.004 ( 0.687 0.000 1.496) 1.646 20.071 ( 0.196 0.000 -3.751) 3.757 21.055 ( -0.411 0.000 2.472) 2.506 21.268 ( -5.626 0.000 20.663) 21.416 21.989 ( 0.314 0.000 -0.365) 0.482 22.035 ( -0.539 0.000 1.079) 1.206 22.055 ( 0.813 0.000 -6.872) 6.919 ======================= Grid point 67 (25/125) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -8.852 0.000 18.914) 20.883 1.594 ( -22.228 0.000 16.355) 27.596 2.342 ( -0.562 0.000 8.832) 8.850 2.353 ( 10.323 0.000 19.403) 21.978 2.685 ( -26.997 0.000 2.202) 27.087 2.755 ( -12.597 0.000 -0.672) 12.615 3.203 ( 15.201 0.000 5.318) 16.104 3.341 ( -7.344 0.000 0.179) 7.346 3.510 ( -6.024 0.000 -10.158) 11.810 3.530 ( 4.465 0.000 -11.453) 12.293 3.868 ( 0.175 0.000 -10.815) 10.816 4.032 ( -0.183 0.000 -14.756) 14.757 4.469 ( -0.008 0.000 13.627) 13.627 4.564 ( 10.984 0.000 12.402) 16.567 4.610 ( 14.654 0.000 0.925) 14.684 4.686 ( -4.076 0.000 -2.729) 4.906 4.793 ( -0.243 0.000 9.656) 9.659 5.174 ( 2.043 0.000 6.260) 6.585 5.209 ( 1.205 0.000 -4.638) 4.792 5.524 ( -3.109 0.000 -0.621) 3.170 5.563 ( 0.329 0.000 -6.199) 6.207 5.812 ( 4.576 0.000 -8.221) 9.409 5.932 ( -0.384 0.000 4.324) 4.341 6.157 ( -4.099 0.000 8.522) 9.457 6.456 ( -0.350 0.000 -9.769) 9.776 6.680 ( -7.161 0.000 -7.001) 10.015 6.785 ( -2.002 0.000 9.977) 10.176 7.777 ( 3.221 0.000 -2.212) 3.907 7.892 ( -3.978 0.000 -2.999) 4.982 7.967 ( -0.089 0.000 2.666) 2.668 8.017 ( -4.702 0.000 -11.982) 12.872 8.373 ( 6.586 0.000 -1.120) 6.681 8.409 ( 3.123 0.000 -1.511) 3.470 8.847 ( 2.843 0.000 14.506) 14.782 8.927 ( 3.977 0.000 -5.459) 6.754 9.474 ( 2.382 0.000 3.826) 4.507 9.550 ( -6.370 0.000 -13.715) 15.122 9.932 ( 6.387 0.000 -3.332) 7.204 10.068 ( -8.289 0.000 -7.561) 11.219 10.371 ( -4.092 0.000 17.522) 17.993 10.460 ( 8.798 0.000 -1.194) 8.879 10.779 ( 2.423 0.000 23.360) 23.486 11.076 ( -0.595 0.000 -4.264) 4.305 11.170 ( -1.700 0.000 10.429) 10.567 12.098 ( -1.023 0.000 1.522) 1.834 12.354 ( -0.698 0.000 -7.650) 7.681 12.379 ( -1.515 0.000 -1.297) 1.994 12.688 ( 0.762 0.000 -6.414) 6.459 12.959 ( -1.379 0.000 -0.280) 1.407 13.226 ( 0.568 0.000 -2.287) 2.357 13.584 ( 1.516 0.000 8.448) 8.583 13.969 ( 8.167 0.000 10.967) 13.674 14.115 ( -11.501 0.000 -2.046) 11.682 14.360 ( 0.494 0.000 -3.297) 3.334 15.412 ( -6.602 0.000 0.534) 6.624 15.534 ( 12.321 0.000 -0.550) 12.333 15.877 ( 0.749 0.000 0.245) 0.788 16.149 ( -15.424 0.000 -16.167) 22.345 17.070 ( -3.813 0.000 -1.306) 4.031 17.172 ( 25.014 0.000 7.644) 26.156 17.314 ( 4.733 0.000 12.057) 12.953 18.638 ( -10.061 0.000 0.686) 10.084 19.154 ( 2.461 0.000 -11.204) 11.471 19.376 ( -0.520 0.000 -18.499) 18.506 19.809 ( 5.481 0.000 6.069) 8.177 19.996 ( -2.117 0.000 1.379) 2.527 20.033 ( -2.851 0.000 -4.012) 4.922 21.046 ( -1.300 0.000 0.988) 1.632 21.247 ( -3.902 0.000 19.583) 19.968 21.992 ( 0.001 0.000 -0.103) 0.103 22.034 ( 0.068 0.000 0.902) 0.905 22.036 ( -0.348 0.000 -7.488) 7.496 ======================= Grid point 68 (26/125) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -11.182 0.000 24.673) 27.089 1.220 ( -24.040 0.000 22.463) 32.902 1.966 ( -43.470 0.000 9.261) 44.445 2.268 ( -10.782 0.000 5.599) 12.149 2.604 ( -2.217 0.000 1.102) 2.475 2.667 ( 11.166 0.000 15.710) 19.274 3.178 ( -8.828 0.000 -3.410) 9.464 3.277 ( -6.914 0.000 0.328) 6.922 3.528 ( -1.009 0.000 -13.668) 13.705 3.602 ( 16.430 0.000 -3.070) 16.715 3.857 ( 2.722 0.000 -11.237) 11.562 4.020 ( 3.376 0.000 -11.879) 12.349 4.503 ( -0.915 0.000 12.995) 13.027 4.596 ( -3.853 0.000 -2.261) 4.467 4.776 ( 3.682 0.000 -1.990) 4.186 4.803 ( -0.919 0.000 13.697) 13.728 4.875 ( 11.510 0.000 -1.964) 11.677 5.116 ( -9.579 0.000 2.727) 9.960 5.225 ( 1.622 0.000 4.151) 4.457 5.448 ( -2.735 0.000 -4.836) 5.555 5.560 ( 0.815 0.000 -3.596) 3.687 5.891 ( 6.246 0.000 -6.384) 8.931 5.981 ( 4.229 0.000 3.464) 5.467 6.150 ( 0.191 0.000 9.982) 9.984 6.457 ( 3.339 0.000 -10.722) 11.230 6.466 ( -11.365 0.000 -9.102) 14.560 6.747 ( -5.357 0.000 9.233) 10.675 7.791 ( -5.183 0.000 -1.953) 5.539 7.808 ( 2.014 0.000 -8.589) 8.822 7.971 ( 2.334 0.000 -6.303) 6.721 7.977 ( -0.288 0.000 3.619) 3.630 8.445 ( 1.769 0.000 -1.028) 2.046 8.479 ( 4.626 0.000 -1.545) 4.877 8.979 ( 4.917 0.000 16.101) 16.835 9.004 ( 5.817 0.000 -5.104) 7.739 9.352 ( -9.090 0.000 -9.067) 12.839 9.542 ( 3.485 0.000 3.226) 4.749 9.900 ( -7.127 0.000 -6.662) 9.756 10.094 ( 11.608 0.000 -4.105) 12.312 10.383 ( -0.419 0.000 14.419) 14.425 10.604 ( 7.289 0.000 -4.040) 8.334 10.932 ( 5.031 0.000 29.585) 30.010 11.053 ( -0.134 0.000 -3.707) 3.710 11.177 ( -1.360 0.000 14.152) 14.217 12.058 ( -3.342 0.000 1.340) 3.601 12.338 ( -2.243 0.000 -0.790) 2.378 12.342 ( 1.615 0.000 -5.069) 5.320 12.670 ( -0.351 0.000 -5.566) 5.577 12.941 ( -0.032 0.000 -1.471) 1.471 13.219 ( -0.396 0.000 -2.359) 2.392 13.577 ( -7.437 0.000 7.782) 10.764 13.903 ( -6.052 0.000 -2.485) 6.542 14.188 ( 10.407 0.000 15.931) 19.029 14.363 ( 1.396 0.000 -0.601) 1.520 15.260 ( -9.026 0.000 -6.195) 10.947 15.806 ( 8.829 0.000 -4.080) 9.726 15.867 ( -9.533 0.000 -10.142) 13.919 15.917 ( 9.051 0.000 5.345) 10.511 16.949 ( -8.283 0.000 -1.998) 8.520 17.513 ( 11.461 0.000 12.723) 17.124 17.600 ( 17.249 0.000 -5.447) 18.088 18.428 ( -11.547 0.000 -1.500) 11.644 19.152 ( 0.903 0.000 -12.365) 12.398 19.348 ( 5.008 0.000 -7.236) 8.800 19.920 ( 1.932 0.000 2.493) 3.154 19.944 ( -2.182 0.000 5.652) 6.059 19.947 ( -4.533 0.000 -3.502) 5.728 21.009 ( -2.497 0.000 -3.302) 4.140 21.254 ( -2.343 0.000 19.603) 19.743 21.988 ( -0.254 0.000 -0.252) 0.358 21.990 ( -1.804 0.000 -8.252) 8.447 22.043 ( 0.461 0.000 1.185) 1.271 ======================= Grid point 69 (27/125) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -6.220 0.000 34.603) 35.157 0.812 ( -30.322 0.000 14.056) 33.422 1.275 ( -31.613 0.000 42.898) 53.288 2.058 ( -11.010 0.000 0.884) 11.046 2.611 ( 1.113 0.000 0.180) 1.128 2.889 ( 6.184 0.000 12.576) 14.014 3.004 ( -7.205 0.000 -7.998) 10.765 3.148 ( -6.346 0.000 1.329) 6.483 3.411 ( -5.489 0.000 -6.827) 8.760 3.872 ( 2.935 0.000 -14.941) 15.227 3.896 ( 15.533 0.000 -3.331) 15.886 4.081 ( 6.299 0.000 -4.136) 7.535 4.515 ( -4.988 0.000 -1.440) 5.192 4.520 ( -2.224 0.000 12.561) 12.756 4.669 ( -11.231 0.000 -5.954) 12.711 4.786 ( -6.374 0.000 10.199) 12.027 4.924 ( -8.047 0.000 1.080) 8.119 4.999 ( 0.009 0.000 2.295) 2.295 5.261 ( 0.469 0.000 0.402) 0.617 5.399 ( 0.179 0.000 -13.389) 13.390 5.598 ( 3.948 0.000 0.757) 4.020 5.976 ( 4.515 0.000 -7.427) 8.691 6.087 ( 3.872 0.000 4.291) 5.780 6.211 ( -9.786 0.000 -5.993) 11.475 6.230 ( 3.751 0.000 12.718) 13.259 6.521 ( 6.235 0.000 -10.749) 12.426 6.665 ( -5.949 0.000 7.606) 9.656 7.711 ( -2.254 0.000 1.168) 2.539 7.837 ( 4.850 0.000 -9.558) 10.718 7.981 ( -0.636 0.000 4.631) 4.674 7.987 ( 0.564 0.000 -5.662) 5.690 8.453 ( -0.077 0.000 -1.035) 1.038 8.548 ( 2.651 0.000 -2.394) 3.572 9.070 ( -1.462 0.000 8.720) 8.841 9.084 ( 4.126 0.000 -5.612) 6.965 9.204 ( -4.330 0.000 0.988) 4.442 9.606 ( 1.567 0.000 -1.572) 2.220 9.776 ( -3.048 0.000 -1.698) 3.489 10.267 ( 5.634 0.000 -6.421) 8.543 10.499 ( 8.444 0.000 13.662) 16.061 10.690 ( 3.790 0.000 -7.679) 8.563 11.050 ( 0.742 0.000 -1.938) 2.075 11.097 ( 1.102 0.000 5.803) 5.907 11.419 ( 27.142 0.000 49.377) 56.346 12.006 ( -2.257 0.000 1.680) 2.814 12.304 ( -0.668 0.000 0.915) 1.133 12.369 ( 2.217 0.000 -1.292) 2.566 12.646 ( -0.253 0.000 -3.971) 3.979 12.953 ( 1.979 0.000 -1.826) 2.693 13.203 ( -0.185 0.000 -2.225) 2.232 13.389 ( -11.200 0.000 1.256) 11.270 13.886 ( 1.592 0.000 2.257) 2.762 14.311 ( -0.163 0.000 -4.867) 4.869 14.462 ( -6.048 0.000 -11.715) 13.184 15.147 ( 11.324 0.000 19.969) 22.956 15.737 ( -1.946 0.000 -2.991) 3.568 15.811 ( -2.026 0.000 -0.549) 2.099 16.228 ( 17.326 0.000 0.868) 17.348 16.766 ( -10.466 0.000 -1.271) 10.543 17.514 ( -27.712 0.000 -41.728) 50.092 17.770 ( 9.261 0.000 9.991) 13.623 18.235 ( -7.439 0.000 2.260) 7.774 19.121 ( 1.322 0.000 -10.885) 10.965 19.669 ( 27.306 0.000 15.347) 31.323 19.856 ( -3.739 0.000 -0.884) 3.842 19.890 ( 4.873 0.000 5.896) 7.650 19.995 ( 0.298 0.000 6.933) 6.939 20.911 ( -5.721 0.000 -14.173) 15.284 21.309 ( 2.155 0.000 21.678) 21.785 21.899 ( -6.124 0.000 -6.007) 8.578 21.982 ( -0.197 0.000 -0.600) 0.631 22.056 ( 0.272 0.000 1.609) 1.632 ======================= Grid point 70 (28/125) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 6.254 12.331 20.346) 24.599 0.961 ( -0.025 23.420 22.113) 32.210 1.779 ( -3.494 45.102 41.600) 61.457 1.987 ( 0.199 6.942 -3.951) 7.990 2.610 ( -1.779 -2.806 -0.807) 3.419 2.864 ( -2.392 1.618 -6.050) 6.704 3.004 ( 0.884 1.498 6.265) 6.502 3.099 ( -1.512 2.173 1.559) 3.073 3.524 ( 9.147 0.551 4.388) 10.160 3.746 ( 0.329 -9.747 -18.595) 20.998 4.112 ( 2.263 -7.735 6.573) 10.399 4.270 ( 13.090 4.446 -8.134) 16.040 4.414 ( -2.590 -1.826 3.102) 4.434 4.451 ( -6.935 -5.012 8.586) 12.122 4.475 ( -1.182 -7.563 9.451) 12.162 4.681 ( -3.898 3.074 0.947) 5.054 4.902 ( 2.680 3.430 -0.271) 4.361 5.094 ( -2.278 7.366 -0.356) 7.719 5.176 ( -3.167 -3.042 -4.177) 6.060 5.388 ( -0.139 2.964 -12.722) 13.063 5.554 ( -0.847 -5.485 -1.435) 5.733 5.991 ( 0.345 -2.671 -3.323) 4.277 6.028 ( -2.834 1.458 -2.958) 4.348 6.272 ( 6.726 0.382 4.102) 7.888 6.326 ( 3.660 1.180 4.533) 5.944 6.559 ( -0.966 0.556 6.407) 6.503 6.701 ( 0.085 4.867 0.939) 4.957 7.533 ( 0.021 -12.987 1.026) 13.028 7.872 ( 0.651 -6.518 -5.452) 8.522 7.963 ( 2.602 -1.327 -4.579) 5.432 8.175 ( 3.440 12.909 -10.112) 16.755 8.560 ( -0.282 5.965 -2.879) 6.629 8.630 ( 0.980 10.070 -3.585) 10.734 8.994 ( -5.075 1.197 5.528) 7.600 9.142 ( 3.068 4.708 5.442) 7.823 9.334 ( -3.598 10.298 -5.821) 12.365 9.542 ( -4.928 -1.463 -3.793) 6.388 9.805 ( 6.930 -1.776 3.866) 8.132 10.081 ( -0.907 -12.593 -3.520) 13.107 10.614 ( -0.433 -8.858 -1.065) 8.932 10.673 ( -0.991 4.393 7.626) 8.856 11.036 ( -9.757 -0.850 14.501) 17.498 11.172 ( 0.110 4.833 8.646) 9.906 11.765 ( -2.334 -5.227 13.562) 14.721 12.047 ( 2.488 1.432 5.201) 5.941 12.225 ( 2.410 -5.503 -3.806) 7.112 12.503 ( -7.743 -5.607 0.076) 9.560 12.535 ( -0.430 -1.904 7.094) 7.358 12.741 ( 4.657 5.323 0.529) 7.092 13.165 ( 1.917 -4.060 -0.958) 4.591 13.234 ( -3.919 -0.411 -2.658) 4.753 13.403 ( -5.953 0.708 -0.190) 5.998 14.279 ( 1.517 -3.456 -1.349) 4.008 14.648 ( -17.398 25.619 -27.031) 41.106 15.698 ( 0.227 -5.894 -1.523) 6.092 15.722 ( 9.557 -1.848 -0.153) 9.736 16.159 ( 35.004 1.481 2.206) 35.104 16.360 ( -34.402 -1.338 6.366) 35.012 16.545 ( 3.939 5.293 -1.438) 6.753 16.711 ( -4.732 5.807 0.162) 7.493 17.828 ( -4.764 2.688 2.030) 5.835 18.411 ( 4.177 7.809 -1.859) 9.049 19.130 ( 2.492 0.407 -8.947) 9.296 19.617 ( 2.647 -11.201 3.736) 12.101 19.791 ( -0.505 1.205 -6.117) 6.255 19.983 ( -2.450 -0.377 3.600) 4.371 20.356 ( -3.619 -1.460 -5.605) 6.830 20.748 ( 11.857 -8.534 -10.765) 18.147 21.488 ( 7.701 -3.711 10.999) 13.930 21.559 ( -10.054 -2.098 17.316) 20.132 21.978 ( -0.019 -0.030 -0.863) 0.863 22.364 ( 1.624 6.959 -10.423) 12.637 ======================= Grid point 71 (29/125) ======================= q-point: ( 0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 12.323 14.463 20.443) 27.910 1.126 ( 25.434 9.963 15.760) 31.536 1.804 ( -0.804 20.590 22.213) 30.298 2.206 ( 16.479 23.701 11.388) 31.032 2.560 ( -2.699 -3.276 -0.640) 4.293 2.781 ( -6.694 4.410 1.353) 8.130 3.026 ( 1.802 -0.535 1.733) 2.557 3.141 ( 4.538 2.128 -0.220) 5.017 3.651 ( 0.341 -10.395 -9.482) 14.074 3.745 ( 6.411 -10.948 -9.341) 15.755 4.096 ( -9.457 -3.271 5.433) 11.386 4.253 ( -5.565 -1.649 8.943) 10.661 4.389 ( -2.067 -4.311 6.759) 8.279 4.445 ( 3.418 2.574 -5.392) 6.883 4.505 ( -0.284 -7.661 3.135) 8.282 4.652 ( 1.089 -5.543 1.186) 5.772 4.951 ( -4.259 3.655 -2.488) 6.139 5.016 ( -5.517 2.217 -6.497) 8.807 5.169 ( 9.702 5.948 -2.321) 11.614 5.410 ( 4.491 2.006 -7.250) 8.761 5.522 ( -1.165 -1.942 -0.756) 2.387 5.943 ( -3.162 3.884 -6.720) 8.381 6.016 ( 1.753 -0.141 -1.264) 2.166 6.341 ( -1.477 -1.043 6.786) 7.022 6.463 ( 8.478 -0.493 3.530) 9.197 6.567 ( -0.697 -1.124 5.672) 5.825 6.724 ( 1.608 4.346 2.996) 5.518 7.559 ( 2.541 -14.237 -0.153) 14.463 7.852 ( -0.906 -7.213 -3.702) 8.158 7.969 ( -0.746 -0.400 -2.394) 2.539 8.224 ( 5.090 10.317 -10.816) 15.790 8.527 ( -2.046 4.609 -4.934) 7.055 8.606 ( -1.606 12.341 -5.800) 13.731 8.914 ( -5.913 2.922 8.810) 11.006 9.178 ( -6.599 10.634 -12.906) 17.978 9.252 ( 5.158 2.541 5.219) 7.766 9.465 ( -2.589 -1.016 1.924) 3.382 9.978 ( 9.755 -0.389 2.568) 10.095 10.024 ( -3.947 -11.961 -3.378) 13.040 10.527 ( -7.618 -10.590 -0.679) 13.063 10.645 ( -5.334 4.432 13.666) 15.324 10.870 ( -12.017 2.940 13.005) 17.949 11.194 ( -1.000 4.915 10.210) 11.376 11.520 ( -16.560 17.393 7.243) 25.084 12.058 ( 0.668 2.969 1.736) 3.504 12.258 ( 0.930 -6.185 -0.152) 6.256 12.417 ( 0.887 -4.617 4.389) 6.432 12.633 ( 3.291 -1.601 -4.525) 5.819 12.867 ( 4.407 -3.636 1.183) 5.835 13.217 ( 1.687 -0.232 -0.167) 1.712 13.272 ( 9.554 -1.769 -0.946) 9.762 13.393 ( 5.551 2.668 -4.716) 7.757 14.303 ( -4.138 5.224 -3.931) 7.738 14.340 ( -2.291 16.986 -8.639) 19.194 15.686 ( 0.852 -4.165 -2.464) 4.914 15.869 ( -12.835 0.925 9.611) 16.061 15.935 ( 6.128 3.709 6.426) 9.623 16.277 ( -16.111 3.737 -1.104) 16.575 16.659 ( 10.594 -11.066 -11.364) 19.074 16.890 ( 12.197 2.278 -1.905) 12.553 17.689 ( -8.835 8.338 -0.572) 12.161 18.549 ( 7.942 3.489 6.731) 10.980 19.146 ( 2.352 1.010 -8.645) 9.016 19.636 ( -1.458 -6.861 -4.104) 8.126 19.761 ( -0.373 -0.154 -4.537) 4.555 19.932 ( -3.468 -0.465 2.131) 4.097 20.168 ( -5.813 3.102 -7.287) 9.824 20.944 ( 7.218 -7.192 -2.640) 10.526 21.437 ( -9.198 2.598 20.172) 22.322 21.669 ( 7.299 -13.554 4.121) 15.936 21.983 ( 0.830 0.059 -0.768) 1.132 22.284 ( -4.947 6.066 -6.055) 9.896 ======================= Grid point 72 (30/125) ======================= q-point: ( 0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 2.684 22.332 13.311) 26.137 1.670 ( 17.628 14.121 21.502) 31.185 1.992 ( 15.011 -0.692 10.029) 18.066 2.470 ( -3.455 11.044 5.995) 13.033 2.533 ( 0.910 -4.990 0.957) 5.162 2.730 ( 9.270 14.221 15.389) 22.913 3.096 ( 3.639 -2.005 -4.241) 5.937 3.204 ( 1.364 0.193 -0.748) 1.567 3.576 ( -2.234 -13.495 -11.424) 17.821 3.770 ( -1.844 -9.084 -4.111) 10.140 3.945 ( -3.944 2.800 -2.182) 5.306 4.247 ( -2.394 -5.068 12.336) 13.550 4.354 ( -2.484 -3.819 7.813) 9.044 4.418 ( -3.809 -1.146 -2.985) 4.973 4.464 ( -3.991 0.395 -5.136) 6.516 4.667 ( -1.492 -7.182 4.119) 8.413 4.848 ( -5.578 0.118 -3.356) 6.511 4.994 ( 8.222 6.407 -5.769) 11.914 5.290 ( 1.095 9.223 0.853) 9.327 5.455 ( 2.902 0.149 -8.140) 8.644 5.548 ( 3.807 -0.455 2.642) 4.657 5.884 ( -0.310 6.395 -8.353) 10.525 6.033 ( -0.176 3.235 1.315) 3.497 6.310 ( -3.864 -0.498 7.094) 8.094 6.524 ( -2.781 -3.186 1.676) 4.549 6.636 ( 6.434 -3.510 0.558) 7.350 6.774 ( 1.664 5.182 6.224) 8.268 7.621 ( 3.747 -13.059 -0.184) 13.587 7.816 ( -1.815 -6.876 -3.183) 7.791 7.933 ( -1.615 -0.870 -1.185) 2.184 8.283 ( 4.509 7.645 -8.590) 12.351 8.454 ( -3.251 3.827 -5.740) 7.626 8.532 ( -4.272 14.281 -4.901) 15.691 8.841 ( -5.220 3.483 10.116) 11.904 9.042 ( -2.224 9.499 -11.284) 14.917 9.367 ( 4.227 -1.749 -0.720) 4.631 9.466 ( 2.854 -0.598 3.777) 4.772 9.916 ( -5.868 -10.355 -5.265) 13.015 10.170 ( 9.881 1.891 1.654) 10.196 10.363 ( -9.486 -8.995 3.437) 13.517 10.604 ( -5.186 4.984 13.859) 15.615 10.705 ( -8.178 5.648 8.979) 13.394 11.205 ( -1.875 4.574 11.729) 12.728 11.340 ( -5.210 18.187 -0.885) 18.940 12.087 ( 1.666 2.529 0.154) 3.032 12.277 ( 1.072 -6.461 -0.144) 6.551 12.448 ( 0.417 -2.548 0.637) 2.660 12.646 ( 0.882 -2.180 -5.548) 6.026 12.917 ( 1.808 -5.903 0.381) 6.186 13.240 ( 0.799 2.774 -2.032) 3.530 13.451 ( 7.771 0.014 2.016) 8.028 13.540 ( 10.288 -1.556 -1.472) 10.508 14.190 ( -2.086 9.349 -3.026) 10.045 14.399 ( 5.020 5.314 -0.566) 7.332 15.649 ( -10.287 2.287 6.533) 12.399 15.728 ( 2.970 -2.215 -1.422) 3.968 15.927 ( -18.458 5.566 -1.131) 19.312 16.217 ( 16.575 -2.673 7.207) 18.271 16.641 ( -6.250 -13.259 -15.144) 21.077 17.061 ( 6.950 1.508 0.476) 7.128 17.525 ( -8.313 13.877 1.563) 16.252 18.711 ( 5.749 1.299 8.664) 10.479 19.156 ( 1.930 1.264 -9.410) 9.689 19.546 ( -3.521 -1.593 -12.248) 12.843 19.733 ( -1.856 -0.645 -3.095) 3.666 19.907 ( 0.431 -3.108 2.079) 3.764 20.124 ( 1.416 3.115 -4.831) 5.920 21.018 ( 1.970 -3.653 0.459) 4.175 21.353 ( -7.274 3.156 20.179) 21.681 21.777 ( 3.668 -13.679 0.665) 14.178 22.003 ( 1.462 0.291 -0.508) 1.575 22.185 ( -3.645 3.838 -3.389) 6.285 ======================= Grid point 73 (31/125) ======================= q-point: ( 0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.064 27.154 10.296) 29.040 1.915 ( -1.237 11.821 17.698) 21.319 2.237 ( 4.903 1.392 8.816) 10.183 2.320 ( -6.531 8.275 12.940) 16.690 2.679 ( 14.149 -9.849 2.064) 17.362 2.909 ( -6.519 -3.869 -2.611) 8.018 3.070 ( 0.084 3.300 10.480) 10.988 3.273 ( 8.131 1.059 -5.520) 9.885 3.515 ( -3.832 -11.886 -7.200) 14.416 3.745 ( 2.667 0.330 -5.521) 6.140 3.843 ( -6.624 2.098 -8.919) 11.306 4.178 ( -8.269 1.450 -0.849) 8.438 4.311 ( -2.018 -3.412 1.993) 4.437 4.401 ( -0.511 -2.154 13.237) 13.421 4.450 ( 7.207 -2.236 2.943) 8.100 4.649 ( -1.518 -6.426 7.034) 9.648 4.789 ( 0.142 2.248 -4.877) 5.373 5.158 ( 8.957 4.116 -5.539) 11.307 5.265 ( -2.753 9.083 4.048) 10.318 5.472 ( 2.015 -2.131 -7.953) 8.477 5.607 ( 0.075 0.385 1.982) 2.021 5.871 ( 1.686 6.417 -7.887) 10.307 6.024 ( -1.128 7.093 2.867) 7.733 6.257 ( -4.082 2.151 6.787) 8.207 6.465 ( -2.708 -3.599 -2.136) 4.985 6.701 ( 0.027 -4.922 -3.809) 6.224 6.822 ( 0.955 4.483 8.018) 9.236 7.674 ( 1.365 -9.302 0.344) 9.408 7.767 ( -1.707 -7.854 -3.542) 8.784 7.928 ( 1.198 -2.810 0.389) 3.079 8.302 ( -0.179 8.570 -12.473) 15.135 8.389 ( -1.238 1.936 -2.436) 3.349 8.466 ( 0.487 14.713 -2.885) 15.001 8.801 ( -2.472 2.722 10.249) 10.889 9.015 ( 2.114 9.076 -6.881) 11.584 9.403 ( 0.903 -1.675 2.117) 2.847 9.585 ( 7.865 -2.208 -3.989) 9.092 9.773 ( -7.161 -9.810 -5.376) 13.282 10.213 ( -7.200 -6.736 1.011) 9.912 10.354 ( 9.278 3.100 -0.354) 9.789 10.478 ( -9.971 6.171 10.667) 15.853 10.703 ( 1.109 3.326 15.940) 16.321 11.204 ( -2.352 4.566 10.938) 12.084 11.278 ( -1.333 14.715 -3.530) 15.191 12.114 ( 1.054 2.226 -0.098) 2.465 12.290 ( 0.408 -6.138 -1.000) 6.233 12.418 ( -2.542 -2.315 -4.772) 5.882 12.661 ( 2.392 -2.337 -4.057) 5.258 12.941 ( 0.358 -4.813 1.047) 4.939 13.229 ( -0.701 1.778 -4.184) 4.600 13.559 ( 2.919 1.589 4.294) 5.430 13.734 ( 9.113 -2.867 5.319) 10.934 14.179 ( 0.647 2.445 -1.578) 2.981 14.489 ( 3.114 8.366 -0.634) 8.949 15.476 ( -7.806 0.753 1.113) 7.921 15.659 ( -8.598 9.095 1.142) 12.568 15.801 ( 3.858 -3.509 -1.647) 5.469 16.394 ( -13.284 -9.489 -14.728) 21.987 16.572 ( 17.798 -8.969 8.085) 21.508 17.152 ( 2.319 0.730 1.520) 2.867 17.430 ( -2.047 17.332 6.143) 18.502 18.779 ( -1.771 1.766 4.918) 5.518 19.155 ( 1.714 0.731 -10.827) 10.986 19.451 ( -1.585 -0.576 -16.289) 16.376 19.717 ( 1.809 -0.106 0.623) 1.917 19.928 ( 0.352 -4.296 1.316) 4.507 20.136 ( 0.810 3.208 -3.959) 5.159 21.035 ( -0.102 -2.745 0.723) 2.840 21.302 ( -5.312 3.135 18.999) 19.975 21.818 ( 0.873 -12.063 -0.168) 12.095 22.031 ( 1.447 0.769 0.245) 1.657 22.124 ( -1.661 2.092 -3.399) 4.323 ======================= Grid point 74 (32/125) ======================= q-point: (-0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -4.385 31.698 8.237) 33.043 1.733 ( -18.036 12.968 15.696) 27.200 2.214 ( -12.451 -6.752 4.275) 14.795 2.430 ( 8.535 7.208 18.241) 21.390 2.653 ( -9.110 -1.215 0.542) 9.207 2.930 ( -7.819 8.270 4.827) 12.362 3.103 ( 11.305 -7.601 5.457) 14.675 3.345 ( -9.894 -5.630 -6.068) 12.900 3.402 ( 5.115 0.968 -2.666) 5.849 3.655 ( -6.466 5.521 -10.081) 13.187 3.823 ( 5.091 -1.909 -9.335) 10.803 4.026 ( -3.716 1.519 -11.147) 11.848 4.358 ( 2.992 -10.061 10.558) 14.887 4.445 ( 1.169 -4.822 11.437) 12.467 4.648 ( 0.535 -3.837 4.897) 6.244 4.672 ( 6.949 -6.761 8.729) 13.046 4.812 ( 5.932 7.624 -4.165) 10.520 5.188 ( -2.801 1.107 0.073) 3.012 5.286 ( 1.577 6.006 0.053) 6.210 5.481 ( 1.380 -3.936 -5.635) 7.010 5.569 ( -3.286 2.269 -0.215) 3.999 5.890 ( 2.580 4.225 -4.422) 6.638 6.024 ( 0.751 9.549 0.658) 9.602 6.210 ( -3.113 4.322 5.843) 7.906 6.428 ( 0.169 -2.419 -5.032) 5.585 6.612 ( -7.112 -4.653 -4.827) 9.774 6.846 ( -1.607 4.021 6.736) 8.008 7.671 ( -2.090 -8.813 0.533) 9.073 7.744 ( 0.965 -9.058 -2.911) 9.563 7.957 ( 1.402 0.517 -2.416) 2.841 8.231 ( -1.177 12.794 -10.802) 16.785 8.398 ( 2.500 -0.238 -1.571) 2.962 8.514 ( 3.823 11.074 -1.326) 11.790 8.825 ( 1.667 1.666 9.363) 9.655 9.065 ( 4.877 8.916 -2.357) 10.433 9.424 ( -0.119 -3.076 -0.226) 3.087 9.580 ( -5.666 0.827 -4.621) 7.358 9.755 ( 6.485 -10.561 -2.323) 12.609 10.091 ( -4.958 -2.888 -6.333) 8.546 10.373 ( -5.148 2.935 14.371) 15.545 10.511 ( 7.875 2.678 -2.394) 8.656 10.805 ( 2.862 2.756 21.031) 21.403 11.193 ( -2.166 5.191 7.884) 9.685 11.257 ( 0.218 13.097 -2.437) 13.323 12.112 ( -1.801 1.060 0.690) 2.201 12.293 ( 1.050 -4.347 -3.302) 5.559 12.349 ( -2.659 -3.180 -3.929) 5.711 12.688 ( 1.740 -0.838 -4.588) 4.978 12.932 ( -1.616 -2.812 0.475) 3.278 13.199 ( -0.673 -1.793 -3.935) 4.376 13.600 ( -0.288 -0.247 6.140) 6.152 13.852 ( -2.055 -5.886 7.798) 9.984 14.209 ( 4.658 7.201 0.685) 8.604 14.472 ( -2.193 8.767 -1.425) 9.148 15.418 ( -2.861 1.003 -0.619) 3.094 15.617 ( 6.786 5.549 -2.778) 9.196 15.851 ( 1.651 -1.183 1.710) 2.655 16.097 ( -12.291 -4.034 -13.013) 18.349 16.888 ( 11.796 -14.502 7.179) 20.025 17.160 ( -1.152 0.607 1.906) 2.308 17.522 ( 8.710 15.450 9.239) 19.998 18.689 ( -7.365 4.218 -0.795) 8.524 19.153 ( 2.043 -0.060 -10.847) 11.038 19.372 ( -0.681 -0.418 -17.778) 17.796 19.803 ( 5.422 -0.495 5.494) 7.735 19.915 ( -1.938 -3.675 0.168) 4.158 20.117 ( -1.478 3.860 -3.770) 5.594 21.020 ( -1.591 -3.361 -1.094) 3.876 21.283 ( -3.410 3.363 18.095) 18.718 21.813 ( -1.345 -11.227 0.052) 11.308 22.041 ( -0.909 0.780 0.620) 1.349 22.114 ( 2.262 2.463 -3.802) 5.063 ======================= Grid point 75 (33/125) ======================= q-point: (-0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -11.499 28.723 6.748) 31.667 1.447 ( -20.763 18.335 14.782) 31.397 1.866 ( -22.310 1.580 13.330) 26.037 2.502 ( -12.811 12.476 7.217) 19.284 2.588 ( 0.394 -0.377 3.540) 3.582 2.795 ( 1.124 11.339 13.080) 17.347 3.123 ( -9.549 -3.325 -5.971) 11.743 3.252 ( -1.761 -3.242 0.932) 3.805 3.517 ( -0.398 1.417 -3.350) 3.659 3.607 ( 13.366 -0.651 -6.771) 14.997 3.867 ( 3.315 1.159 -9.010) 9.671 3.975 ( 2.084 -3.168 -10.953) 11.591 4.426 ( 0.187 -8.632 11.252) 14.183 4.515 ( 0.969 -10.076 8.931) 13.500 4.621 ( -3.658 -8.199 -0.724) 9.007 4.720 ( -1.033 -1.804 1.748) 2.716 4.977 ( 6.849 4.667 0.830) 8.330 5.150 ( -1.084 -1.665 3.962) 4.432 5.255 ( -4.021 4.537 -1.686) 6.292 5.488 ( 1.292 -4.577 -2.149) 5.219 5.516 ( -1.681 5.152 -2.812) 6.105 5.944 ( 4.250 1.435 -0.648) 4.532 6.054 ( 2.012 7.955 -1.485) 8.338 6.188 ( -0.742 3.349 4.063) 5.317 6.372 ( -7.148 -6.650 -7.881) 12.547 6.503 ( 0.657 2.967 -2.046) 3.664 6.804 ( -4.773 4.346 5.346) 8.382 7.612 ( -3.739 -8.862 0.871) 9.657 7.780 ( 3.389 -9.938 -1.982) 10.685 7.951 ( 0.707 4.052 -9.916) 10.736 8.198 ( -0.191 12.673 -5.212) 13.705 8.468 ( 5.175 -0.227 -0.710) 5.228 8.565 ( 1.907 10.268 -0.812) 10.475 8.918 ( 4.740 0.615 6.700) 8.231 9.167 ( 4.688 8.308 1.450) 9.649 9.338 ( -5.201 -1.351 -5.460) 7.661 9.556 ( 1.833 1.166 4.014) 4.564 9.814 ( -1.212 -6.851 -2.540) 7.407 10.031 ( 2.809 -4.645 -8.921) 10.442 10.387 ( 1.230 1.642 15.731) 15.865 10.622 ( 4.978 0.564 -4.158) 6.511 10.949 ( 4.006 1.504 25.683) 26.037 11.177 ( -2.343 4.563 6.665) 8.411 11.283 ( 4.042 15.276 -0.677) 15.816 12.057 ( -3.628 -0.209 0.387) 3.655 12.283 ( -1.497 -4.417 -4.731) 6.643 12.331 ( 1.889 -0.628 1.583) 2.543 12.690 ( 0.256 0.136 -4.767) 4.776 12.889 ( -2.883 -2.959 -1.160) 4.291 13.179 ( -0.407 -3.815 -2.961) 4.847 13.574 ( -6.398 -1.257 7.331) 9.811 13.709 ( -10.847 -7.582 2.577) 13.483 14.289 ( 0.571 0.700 -2.008) 2.202 14.600 ( 17.964 19.147 10.603) 28.316 15.291 ( -8.163 2.805 -9.405) 12.765 15.760 ( 3.322 -4.787 -5.158) 7.782 15.851 ( -5.822 -0.690 -3.228) 6.693 15.995 ( 11.839 7.491 1.674) 14.109 16.954 ( -5.611 -2.399 -0.563) 6.128 17.223 ( 5.111 -15.226 6.305) 17.254 17.724 ( 6.980 7.106 5.818) 11.535 18.555 ( -4.931 8.212 -5.359) 10.976 19.146 ( 0.704 -0.515 -11.203) 11.237 19.339 ( 3.990 -0.860 -8.844) 9.741 19.866 ( -2.563 -1.503 -2.005) 3.584 19.920 ( 4.171 -0.517 7.219) 8.353 20.070 ( -1.316 5.428 -3.582) 6.635 20.963 ( -3.663 -5.192 -5.463) 8.380 21.297 ( -1.549 3.857 17.625) 18.108 21.769 ( -3.745 -10.567 1.869) 11.366 22.015 ( -1.486 0.300 -0.485) 1.592 22.173 ( 5.171 4.921 -3.464) 7.934 ======================= Grid point 76 (34/125) ======================= q-point: (-0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -34.573 9.952 4.856) 36.303 0.981 ( -9.399 24.740 15.780) 30.813 1.696 ( -5.810 36.355 34.972) 50.779 2.202 ( -17.199 11.121 1.215) 20.517 2.613 ( 0.971 -0.935 1.481) 2.002 2.926 ( 4.519 3.665 11.038) 12.477 2.954 ( -5.578 -1.434 -7.283) 9.285 3.170 ( -5.522 1.330 1.167) 5.798 3.456 ( -1.838 4.871 -2.473) 5.764 3.791 ( 2.378 -5.661 -11.765) 13.271 3.989 ( 15.741 1.735 -4.519) 16.468 4.027 ( 6.036 -3.481 -4.710) 8.410 4.447 ( -2.507 -5.429 8.899) 10.722 4.485 ( -5.790 -9.716 7.744) 13.707 4.543 ( -3.251 -6.132 2.420) 7.351 4.705 ( -0.583 -0.673 0.216) 0.916 5.021 ( -5.988 3.093 -0.922) 6.803 5.095 ( -1.671 5.115 0.022) 5.381 5.208 ( -0.297 -3.400 -0.016) 3.413 5.463 ( -1.937 5.409 -9.673) 11.251 5.535 ( 2.764 -4.271 0.587) 5.121 6.029 ( 3.376 0.962 0.986) 3.646 6.045 ( -3.108 -2.856 -1.440) 4.460 6.199 ( -0.330 0.633 -1.367) 1.542 6.252 ( 1.273 2.553 -0.059) 2.853 6.543 ( 1.897 1.872 0.966) 2.835 6.729 ( -4.004 5.006 3.292) 7.206 7.554 ( -2.650 -10.252 1.572) 10.705 7.845 ( 3.728 -8.894 -2.239) 9.901 7.937 ( 2.181 2.935 -11.717) 12.274 8.175 ( -0.217 12.644 -5.096) 13.634 8.552 ( 2.881 1.742 -2.248) 4.048 8.595 ( 2.247 11.162 0.535) 11.399 9.016 ( 2.736 0.296 4.214) 5.034 9.138 ( -5.142 4.466 2.089) 7.124 9.342 ( 3.579 6.656 -2.092) 7.842 9.603 ( 1.080 -0.623 -0.889) 1.531 9.747 ( -2.545 -2.443 0.261) 3.537 10.079 ( 2.956 -10.889 -5.787) 12.681 10.518 ( 6.155 -0.352 13.887) 15.194 10.668 ( 1.667 -0.357 -4.435) 4.751 11.090 ( -0.294 -0.660 24.104) 24.114 11.147 ( -2.031 3.959 3.617) 5.734 11.476 ( 16.597 10.630 11.460) 22.799 12.007 ( -1.381 0.363 1.560) 2.115 12.240 ( -1.506 -3.963 -2.580) 4.963 12.395 ( 4.178 1.449 3.060) 5.377 12.675 ( -0.647 -0.886 -1.745) 2.061 12.803 ( -6.640 -5.389 -2.025) 8.788 13.162 ( -0.300 -4.068 -2.366) 4.716 13.392 ( -11.657 0.264 1.483) 11.754 13.557 ( -8.984 -9.529 4.869) 13.972 14.274 ( -0.185 -3.268 -2.581) 4.169 15.024 ( -6.049 18.138 -30.326) 35.850 15.190 ( 30.108 7.868 22.039) 38.133 15.736 ( -1.572 -2.794 -3.671) 4.874 15.799 ( 1.355 2.392 3.102) 4.145 16.292 ( 16.221 5.975 0.791) 17.304 16.785 ( -11.640 0.295 -1.267) 11.713 17.131 ( -21.206 -18.227 -3.886) 28.232 17.814 ( 2.960 2.755 5.935) 7.182 18.449 ( -3.875 9.703 -11.909) 15.843 19.122 ( 1.452 0.028 -10.059) 10.164 19.489 ( 9.562 -8.208 7.311) 14.568 19.822 ( -0.859 0.934 -5.005) 5.164 19.987 ( 0.329 -0.501 6.135) 6.164 20.132 ( 12.520 8.154 -0.578) 14.952 20.831 ( -7.297 -7.344 -12.911) 16.550 21.352 ( 1.553 3.462 17.011) 17.429 21.684 ( -7.179 -7.791 7.294) 12.863 21.990 ( -0.915 0.069 -0.830) 1.237 22.281 ( 7.888 7.571 -6.190) 12.564 ======================= Grid point 77 (35/125) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 1.354 27.901 8.877) 29.311 1.529 ( -0.114 30.264 3.140) 30.426 2.100 ( -1.826 5.476 -4.561) 7.357 2.443 ( -0.914 0.435 10.444) 10.493 2.776 ( 0.830 19.983 6.313) 20.973 2.914 ( -4.800 15.583 0.526) 16.314 3.079 ( 2.155 7.955 8.166) 11.603 3.157 ( -2.647 5.105 5.814) 8.178 3.493 ( 2.465 -9.622 -13.203) 16.523 3.623 ( -4.320 1.604 -1.680) 4.905 3.900 ( 2.624 -12.315 8.581) 15.237 4.193 ( 3.151 -11.235 1.465) 11.760 4.279 ( 0.084 -4.461 5.776) 7.299 4.301 ( -1.053 -8.954 11.150) 14.339 4.561 ( 3.228 11.057 -6.928) 13.442 4.657 ( -7.206 -6.534 -2.130) 9.958 4.962 ( 2.439 2.466 0.187) 3.473 5.081 ( 2.034 -5.751 0.357) 6.111 5.191 ( -2.387 2.312 -2.995) 4.473 5.424 ( -1.100 -2.563 0.994) 2.961 5.514 ( -1.206 3.418 -3.716) 5.191 5.954 ( 2.497 0.630 -6.022) 6.549 6.018 ( -3.003 -1.205 4.079) 5.207 6.268 ( 3.768 -0.445 5.010) 6.284 6.414 ( 4.184 5.919 -5.601) 9.160 6.565 ( -1.819 -1.093 8.919) 9.168 6.767 ( -1.459 1.444 3.542) 4.094 7.351 ( -0.363 -4.362 -1.478) 4.619 7.631 ( 1.076 -16.255 -4.194) 16.822 7.901 ( 1.585 -5.061 -6.735) 8.573 8.443 ( 1.410 13.021 -7.735) 15.210 8.641 ( 1.061 4.147 -1.971) 4.712 8.888 ( 0.603 12.570 -3.006) 12.939 9.073 ( -4.442 4.626 4.770) 7.993 9.270 ( 3.174 7.306 1.985) 8.209 9.442 ( 1.050 0.364 -1.682) 2.016 9.495 ( -5.697 -1.835 0.107) 5.986 9.749 ( 1.888 -1.590 1.557) 2.918 9.974 ( 2.591 -0.386 -3.852) 4.658 10.391 ( -3.859 -11.265 3.676) 12.463 10.802 ( -1.137 7.663 7.434) 10.737 11.067 ( -5.943 3.472 15.998) 17.416 11.292 ( 0.381 7.600 5.428) 9.347 11.849 ( 3.256 7.565 -1.193) 8.322 12.055 ( 5.018 -2.692 2.274) 6.131 12.151 ( -1.087 -0.900 -0.192) 1.424 12.428 ( -8.421 -1.878 -2.029) 8.863 12.555 ( 3.240 1.085 1.543) 3.749 12.844 ( 2.112 5.282 1.712) 5.940 13.075 ( 2.102 -3.578 -0.459) 4.175 13.226 ( -4.221 -0.235 -2.138) 4.738 13.401 ( -1.305 -0.421 0.251) 1.394 14.206 ( 1.914 -2.547 1.322) 3.449 14.935 ( -8.703 7.153 -14.997) 18.757 15.537 ( 2.199 -9.538 -1.703) 9.935 15.659 ( 6.817 -4.508 0.019) 8.173 16.219 ( 13.909 4.420 2.577) 14.820 16.381 ( -17.670 2.434 6.150) 18.867 16.673 ( 1.475 6.666 -1.328) 6.956 16.807 ( -3.100 3.851 0.538) 4.973 17.908 ( -1.538 6.014 3.600) 7.176 18.519 ( 2.460 3.561 -4.845) 6.496 19.136 ( 2.724 0.085 -6.785) 7.312 19.453 ( 3.675 -5.807 -1.080) 6.957 19.822 ( -0.110 1.720 -7.476) 7.672 19.978 ( -1.924 -0.040 1.615) 2.512 20.298 ( -2.088 -4.311 -6.007) 7.683 20.564 ( 6.386 -9.527 -7.401) 13.650 21.463 ( 0.784 0.524 8.934) 8.984 21.560 ( -5.220 0.916 13.335) 14.350 21.980 ( -0.024 0.285 -0.693) 0.750 22.381 ( 0.533 -3.083 -5.045) 5.937 ======================= Grid point 78 (36/125) ======================= q-point: ( 0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 24.192 17.273 8.981) 31.052 1.576 ( 3.804 25.393 3.622) 25.931 2.114 ( 3.522 9.484 0.111) 10.117 2.456 ( -1.044 -2.693 5.246) 5.989 2.834 ( 4.150 6.731 1.064) 7.978 2.840 ( -4.369 17.193 3.145) 18.016 3.117 ( -1.997 15.208 12.928) 20.059 3.157 ( 1.138 1.760 0.518) 2.159 3.470 ( -0.296 -8.991 -12.951) 15.769 3.589 ( 0.305 -4.084 -1.316) 4.302 3.955 ( -0.310 -9.743 10.439) 14.283 4.162 ( -5.511 -7.981 5.174) 10.992 4.267 ( -4.069 -4.839 5.049) 8.091 4.354 ( 2.914 -5.653 2.448) 6.814 4.439 ( -4.463 -4.869 5.678) 8.710 4.694 ( 3.768 8.171 -10.458) 13.797 4.967 ( -3.288 0.902 0.160) 3.413 5.083 ( -2.696 1.052 0.011) 2.894 5.222 ( 9.506 -0.192 -0.325) 9.514 5.479 ( -0.016 1.951 -5.781) 6.101 5.489 ( 4.759 1.109 2.408) 5.447 5.984 ( 0.105 1.135 -2.166) 2.448 6.006 ( 3.083 -0.827 -1.392) 3.482 6.331 ( 0.648 -2.069 1.772) 2.800 6.480 ( 4.651 4.364 -0.836) 6.432 6.545 ( -3.558 -1.880 8.244) 9.173 6.795 ( 2.503 2.497 4.253) 5.531 7.370 ( 2.704 -4.301 -2.036) 5.473 7.623 ( 0.056 -15.548 -2.648) 15.772 7.906 ( 0.564 -5.365 -5.854) 7.961 8.445 ( 1.234 11.292 -6.923) 13.302 8.624 ( -1.418 5.546 -4.252) 7.131 8.857 ( -2.329 11.025 -5.445) 12.515 8.999 ( -5.437 4.350 8.070) 10.659 9.316 ( -3.170 3.196 -9.563) 10.569 9.343 ( -0.940 4.210 1.138) 4.461 9.470 ( -1.460 3.125 6.455) 7.319 9.774 ( 0.251 -7.809 -2.198) 8.117 10.045 ( 5.276 1.305 1.677) 5.688 10.304 ( -5.706 -9.437 2.093) 11.225 10.768 ( -4.780 7.234 10.105) 13.315 10.983 ( -7.676 6.740 8.855) 13.519 11.314 ( -0.478 7.188 8.458) 11.110 11.824 ( -5.380 11.725 -1.404) 12.976 12.112 ( -0.614 2.469 2.562) 3.611 12.164 ( 2.907 -5.223 -2.839) 6.618 12.312 ( -1.999 -3.388 4.193) 5.749 12.616 ( 2.935 -0.871 -2.956) 4.256 12.833 ( -3.449 -0.294 -1.298) 3.697 13.151 ( 6.140 -4.155 2.301) 7.763 13.262 ( 5.381 0.235 -1.622) 5.625 13.440 ( 6.714 2.122 -0.776) 7.084 14.282 ( 4.901 -0.094 2.296) 5.413 14.711 ( -9.179 13.660 -14.162) 21.712 15.553 ( 1.548 -9.248 -1.264) 9.461 15.778 ( 2.506 -8.182 1.919) 8.769 16.087 ( -9.345 8.944 8.332) 15.387 16.355 ( -6.873 2.797 -1.125) 7.505 16.534 ( -5.170 -0.062 -2.401) 5.701 16.933 ( 8.278 1.289 -0.043) 8.378 17.883 ( -1.509 11.325 1.374) 11.508 18.609 ( 6.989 2.517 -0.609) 7.453 19.166 ( 2.662 0.810 -6.390) 6.970 19.506 ( 2.502 -5.483 -3.037) 6.749 19.785 ( -1.565 2.101 -6.962) 7.438 19.926 ( -3.629 -0.106 0.316) 3.645 20.177 ( -3.781 -2.052 -7.689) 8.811 20.731 ( 9.574 -13.281 -4.121) 16.883 21.489 ( -5.480 1.379 14.620) 15.674 21.520 ( 0.576 -1.511 7.365) 7.541 21.987 ( 1.047 0.458 -0.603) 1.292 22.319 ( -4.562 -1.424 -3.865) 6.146 ======================= Grid point 79 (37/125) ======================= q-point: ( 0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 4.971 18.221 3.528) 19.213 1.876 ( 26.584 9.251 8.962) 29.540 2.205 ( 4.572 13.238 5.050) 14.888 2.442 ( -1.739 -1.472 3.454) 4.138 2.723 ( -9.859 13.968 6.135) 18.164 2.898 ( 0.578 -6.511 -6.667) 9.337 3.141 ( -0.853 -5.274 -0.827) 5.406 3.170 ( 1.615 16.641 13.779) 21.665 3.396 ( -2.493 -5.401 -10.409) 11.989 3.617 ( 4.221 -3.204 -2.941) 6.060 3.971 ( -0.694 -2.941 9.003) 9.497 4.104 ( -1.266 -7.902 3.282) 8.650 4.244 ( -1.038 -6.395 11.748) 13.416 4.356 ( -2.003 -1.775 -2.769) 3.850 4.449 ( -1.211 -2.596 6.108) 6.746 4.631 ( -4.013 3.130 -6.202) 8.023 4.903 ( -3.704 5.580 -1.322) 6.827 5.118 ( 6.821 4.213 -0.773) 8.055 5.375 ( 3.555 1.194 1.045) 3.893 5.482 ( 3.697 -2.521 -4.045) 6.032 5.564 ( 1.686 5.235 0.023) 5.500 5.988 ( 1.276 3.278 -2.736) 4.457 6.075 ( 4.164 0.085 -0.298) 4.175 6.318 ( -1.151 0.035 -2.265) 2.541 6.500 ( -3.626 -0.460 8.007) 8.802 6.560 ( 3.178 -0.561 -0.256) 3.238 6.857 ( 1.924 2.772 4.989) 6.023 7.423 ( 3.460 -5.865 -2.249) 7.171 7.632 ( 1.290 -11.955 -1.019) 12.067 7.872 ( -1.751 -4.936 -4.790) 7.098 8.435 ( -0.251 8.006 -4.445) 9.161 8.578 ( -1.073 7.495 -6.961) 10.286 8.772 ( -4.182 9.262 -5.563) 11.585 8.933 ( -4.677 4.830 10.023) 12.069 9.198 ( -2.188 3.456 -10.432) 11.205 9.390 ( 2.920 3.623 0.208) 4.657 9.454 ( -2.273 1.678 5.678) 6.342 9.739 ( -2.661 -7.061 -3.975) 8.529 10.107 ( -3.146 -9.389 8.265) 12.898 10.272 ( 5.076 1.910 -3.431) 6.417 10.722 ( -4.185 6.566 11.242) 13.675 10.848 ( -8.380 7.650 5.447) 12.587 11.329 ( -1.344 7.640 9.764) 12.470 11.695 ( -6.036 15.566 -3.259) 17.010 12.129 ( 1.916 0.667 -0.354) 2.059 12.178 ( -0.090 -3.176 -0.582) 3.231 12.338 ( 1.193 -7.116 2.929) 7.787 12.621 ( -0.785 0.347 -4.703) 4.781 12.786 ( 0.051 -6.860 -0.824) 6.910 13.288 ( 3.970 2.388 2.635) 5.330 13.332 ( 5.770 -7.193 -1.933) 9.422 13.620 ( 10.099 4.623 1.865) 11.262 14.353 ( 0.515 7.232 -2.303) 7.608 14.571 ( 0.384 10.684 -4.358) 11.545 15.597 ( 3.090 -9.617 -1.380) 10.195 15.685 ( -10.173 -1.475 2.230) 10.518 16.092 ( -11.037 5.126 3.311) 12.611 16.159 ( 5.628 2.652 1.201) 6.337 16.431 ( -7.300 -6.341 -2.655) 10.028 17.056 ( 4.864 -1.854 1.330) 5.372 17.861 ( -1.288 18.530 0.167) 18.575 18.742 ( 6.312 1.711 1.712) 6.760 19.185 ( 1.730 1.470 -7.453) 7.791 19.503 ( -0.870 -2.548 -9.093) 9.483 19.731 ( -1.493 0.875 -4.594) 4.909 19.868 ( -1.879 -0.918 0.362) 2.123 20.145 ( 1.771 -1.220 -5.763) 6.151 20.851 ( 4.688 -13.581 -3.326) 14.747 21.424 ( -6.087 3.452 15.603) 17.101 21.571 ( 1.645 -5.476 5.854) 8.183 22.013 ( 1.871 0.763 -0.450) 2.070 22.219 ( -4.528 -0.070 -2.415) 5.132 ======================= Grid point 80 (38/125) ======================= q-point: ( 0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 5.185 16.353 5.451) 18.000 2.224 ( -7.603 14.791 4.656) 17.270 2.337 ( 11.907 10.009 7.013) 17.062 2.467 ( 10.451 -9.902 1.322) 14.458 2.572 ( -8.231 14.438 10.265) 19.534 2.784 ( -6.448 -4.146 -0.783) 7.706 3.119 ( -2.615 -9.266 -2.359) 9.913 3.230 ( 0.194 1.413 2.849) 3.186 3.376 ( 3.931 0.332 -2.152) 4.494 3.714 ( 6.033 2.435 -4.633) 7.987 3.975 ( -2.681 1.526 3.630) 4.764 4.114 ( -1.714 -3.360 4.786) 6.093 4.283 ( -1.060 -2.418 -0.159) 2.645 4.299 ( -2.363 -8.534 18.318) 20.346 4.381 ( -1.725 0.774 -3.436) 3.921 4.599 ( -0.291 1.702 2.708) 3.212 4.865 ( 1.513 4.491 -4.851) 6.782 5.243 ( 4.837 3.617 -1.634) 6.257 5.391 ( -0.869 3.155 2.877) 4.357 5.483 ( -1.860 1.408 -7.895) 8.232 5.597 ( 1.294 0.030 1.463) 1.953 5.999 ( 0.755 6.122 -3.430) 7.058 6.141 ( 2.385 0.220 1.731) 2.956 6.291 ( -0.117 2.504 -5.689) 6.217 6.481 ( -1.547 4.590 9.042) 10.258 6.570 ( -1.963 -5.429 -3.302) 6.651 6.896 ( 0.515 2.038 5.982) 6.341 7.475 ( 2.220 -8.132 -1.468) 8.556 7.622 ( -1.916 -8.015 -4.866) 9.570 7.862 ( 2.553 -4.064 0.874) 4.878 8.414 ( -0.184 4.911 -3.945) 6.302 8.533 ( -1.407 9.130 -7.874) 12.138 8.704 ( -0.485 8.647 -4.090) 9.578 8.906 ( -1.733 6.983 10.661) 12.862 9.164 ( 1.348 3.737 -8.138) 9.056 9.407 ( -2.079 1.170 0.879) 2.542 9.470 ( 3.815 -5.133 0.279) 6.401 9.666 ( -3.049 -2.677 -3.204) 5.170 10.046 ( -4.464 -8.175 6.558) 11.391 10.394 ( 6.754 1.331 -3.279) 7.625 10.632 ( -7.672 8.051 5.315) 12.326 10.797 ( -0.051 5.361 12.182) 13.310 11.329 ( -2.131 7.927 9.315) 12.416 11.602 ( -2.474 15.859 -4.434) 16.652 12.154 ( -0.412 0.336 -1.386) 1.485 12.180 ( 1.439 -4.150 0.191) 4.397 12.328 ( -2.111 -5.825 -2.623) 6.728 12.612 ( 1.708 -1.586 -2.292) 3.269 12.807 ( 1.486 -7.665 1.400) 7.933 13.279 ( -2.212 2.338 -5.666) 6.516 13.467 ( 4.894 -6.572 5.668) 9.963 13.780 ( 5.426 3.851 4.031) 7.779 14.333 ( 1.388 12.025 -3.168) 12.512 14.638 ( 3.023 6.500 0.544) 7.189 15.496 ( -7.455 -0.389 -1.393) 7.594 15.629 ( -0.659 -9.005 -1.887) 9.224 15.928 ( -3.327 11.733 0.784) 12.220 16.208 ( -7.233 -7.108 -8.657) 13.334 16.398 ( 7.750 -6.741 11.458) 15.388 17.128 ( 2.136 -2.770 2.950) 4.576 17.846 ( 0.007 22.230 1.303) 22.268 18.821 ( 0.848 2.217 0.509) 2.428 19.175 ( 0.514 1.337 -9.807) 9.911 19.436 ( -1.489 -0.860 -13.976) 14.082 19.718 ( 1.737 0.449 -0.366) 1.831 19.863 ( 0.441 -2.024 0.671) 2.178 20.164 ( 1.450 -0.719 -4.778) 5.045 20.890 ( 0.945 -12.937 -3.597) 13.461 21.377 ( -4.380 4.030 15.299) 16.415 21.611 ( 0.438 -6.699 5.690) 8.800 22.051 ( 2.080 1.117 0.081) 2.362 22.142 ( -2.630 0.058 -2.292) 3.490 ======================= Grid point 81 (39/125) ======================= q-point: (-0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.492 20.531 0.687) 20.548 2.023 ( -9.794 11.010 10.866) 18.309 2.213 ( -18.314 10.190 -2.684) 21.129 2.522 ( -0.764 -0.483 7.965) 8.016 2.750 ( 5.170 10.510 10.066) 15.444 2.866 ( 16.556 -6.313 4.316) 18.237 3.023 ( -5.646 -5.148 -2.166) 7.942 3.228 ( -0.431 -3.378 1.071) 3.570 3.466 ( 4.730 2.146 1.037) 5.296 3.723 ( -7.281 7.012 -4.459) 11.048 3.906 ( 0.472 4.077 -5.652) 6.985 4.048 ( -6.741 -5.365 9.651) 12.937 4.214 ( -3.816 2.254 -5.900) 7.379 4.302 ( -0.450 -8.441 12.679) 15.239 4.506 ( 5.875 -5.665 6.775) 10.607 4.623 ( 2.967 0.351 4.070) 5.049 4.911 ( 4.763 2.010 -3.844) 6.442 5.219 ( -6.106 1.376 -1.549) 6.448 5.382 ( -0.877 2.568 -0.199) 2.720 5.443 ( 0.238 0.794 -6.429) 6.482 5.600 ( -0.915 0.590 2.430) 2.662 5.994 ( 0.197 6.744 -3.171) 7.455 6.162 ( -1.424 -3.423 2.036) 4.230 6.281 ( 1.535 6.380 -7.049) 9.630 6.448 ( -6.196 2.683 -2.674) 7.262 6.513 ( -1.075 -1.629 6.094) 6.399 6.918 ( -0.689 2.128 5.431) 5.874 7.482 ( -0.308 -8.825 -1.606) 8.975 7.569 ( -1.468 -8.462 -4.356) 9.630 7.936 ( 3.460 -2.864 -0.150) 4.494 8.415 ( 2.401 3.655 -4.383) 6.191 8.485 ( -0.699 10.689 -6.004) 12.279 8.724 ( 3.054 8.663 -1.363) 9.286 8.939 ( 1.558 8.918 8.479) 12.403 9.186 ( 3.563 1.977 -5.104) 6.531 9.361 ( -2.455 -4.500 -3.085) 5.983 9.536 ( 1.465 -2.345 4.907) 5.632 9.649 ( 3.223 -1.251 -3.793) 5.133 9.991 ( -3.081 -5.113 1.369) 6.125 10.422 ( -3.399 0.540 3.644) 5.013 10.598 ( 3.576 6.534 -0.422) 7.461 10.875 ( 2.770 3.746 15.395) 16.085 11.315 ( -2.421 7.898 7.963) 11.474 11.575 ( 1.442 16.065 -5.407) 17.012 12.108 ( -3.627 -2.591 -0.962) 4.560 12.205 ( 0.919 -3.767 -3.598) 5.290 12.295 ( 0.187 -1.365 1.299) 1.894 12.639 ( 1.334 -3.973 -3.538) 5.485 12.847 ( 1.874 -4.944 3.185) 6.173 13.191 ( -4.423 1.049 -6.706) 8.101 13.527 ( -0.437 -5.274 6.100) 8.075 13.813 ( -4.193 0.420 4.277) 6.005 14.394 ( 1.914 10.756 0.087) 10.926 14.646 ( 2.700 8.114 0.836) 8.592 15.438 ( -0.841 0.153 -3.778) 3.874 15.588 ( 0.200 -8.342 -5.004) 9.730 15.923 ( -1.152 4.501 1.045) 4.763 16.074 ( -0.516 5.707 -4.123) 7.059 16.598 ( 8.331 -13.029 10.892) 18.915 17.150 ( -1.101 -2.006 3.019) 3.789 17.879 ( 2.201 19.232 3.281) 19.633 18.775 ( -4.308 3.940 -2.811) 6.479 19.152 ( 0.908 0.051 -10.370) 10.410 19.359 ( -1.166 -0.882 -15.960) 16.026 19.799 ( 5.517 0.423 4.430) 7.088 19.869 ( 0.117 -0.977 -0.815) 1.278 20.155 ( -0.556 -0.269 -4.955) 4.994 20.867 ( -1.826 -12.562 -4.945) 13.623 21.366 ( -2.345 4.422 14.543) 15.381 21.625 ( -1.128 -6.179 6.550) 9.075 22.060 ( -1.705 0.957 0.324) 1.982 22.136 ( 3.300 0.080 -2.537) 4.163 ======================= Grid point 82 (40/125) ======================= q-point: (-0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -18.376 15.572 1.034) 24.109 1.814 ( -19.203 24.138 -2.664) 30.959 2.087 ( 4.669 11.621 12.700) 17.837 2.520 ( -2.986 -3.841 5.848) 7.608 2.789 ( -2.695 12.441 1.316) 12.798 2.971 ( -0.076 5.188 11.038) 12.196 3.143 ( 8.435 -4.957 1.643) 9.921 3.189 ( -6.786 7.862 4.194) 11.201 3.526 ( -4.443 -1.368 -10.043) 11.067 3.590 ( 7.760 1.418 3.931) 8.814 3.919 ( -8.427 -1.602 1.414) 8.693 3.944 ( 3.846 2.439 -4.753) 6.583 4.190 ( 1.644 -9.370 1.044) 9.570 4.332 ( -0.905 -8.941 11.097) 14.280 4.509 ( -4.093 -0.182 2.391) 4.743 4.723 ( 3.863 1.286 -0.708) 4.132 5.015 ( 5.270 -1.877 1.842) 5.890 5.098 ( -5.030 -2.351 -0.030) 5.553 5.328 ( -4.349 2.646 -2.678) 5.752 5.420 ( -0.587 -2.137 -2.864) 3.621 5.604 ( 0.049 2.582 2.800) 3.809 5.996 ( 0.970 4.662 -2.053) 5.186 6.095 ( -5.414 -5.831 -0.180) 7.959 6.301 ( 2.603 5.945 -5.710) 8.644 6.310 ( -5.577 2.636 -4.516) 7.645 6.533 ( 0.111 0.647 7.683) 7.711 6.892 ( -3.804 3.186 3.804) 6.252 7.464 ( -2.494 -5.080 0.044) 5.660 7.546 ( 1.737 -13.677 -4.231) 14.421 7.951 ( -0.303 -3.617 -6.720) 7.637 8.454 ( 1.149 11.018 -6.474) 12.831 8.498 ( 5.053 4.747 -0.349) 6.942 8.788 ( 3.676 10.450 0.493) 11.089 9.014 ( 3.966 8.257 4.477) 10.196 9.264 ( 5.094 0.236 -0.047) 5.100 9.297 ( -2.578 -1.977 -3.645) 4.883 9.578 ( 1.273 0.567 6.077) 6.235 9.705 ( 1.954 -3.001 -2.021) 4.112 9.949 ( -0.085 -3.367 -5.360) 6.330 10.392 ( -1.270 -1.960 8.504) 8.818 10.678 ( 4.519 5.724 -0.775) 7.334 10.987 ( 2.808 2.207 17.840) 18.194 11.293 ( -2.407 7.974 5.939) 10.230 11.622 ( 5.712 15.954 -5.975) 17.968 12.034 ( -3.226 -2.773 -1.643) 4.560 12.193 ( -0.890 -3.302 -1.107) 3.594 12.342 ( 3.237 1.403 4.254) 5.527 12.630 ( -0.668 -5.608 -4.549) 7.252 12.878 ( -0.238 0.983 1.254) 1.611 13.096 ( -2.828 -3.017 -4.926) 6.432 13.502 ( -4.314 -4.235 6.277) 8.715 13.664 ( -11.791 0.392 2.098) 11.982 14.313 ( -6.441 2.663 -2.329) 7.348 14.890 ( 17.720 8.961 8.989) 21.796 15.350 ( -3.783 2.103 -14.144) 14.792 15.611 ( 1.203 -9.455 -1.959) 9.731 15.879 ( -0.899 3.927 -0.405) 4.049 16.198 ( 11.723 12.179 1.461) 16.968 16.744 ( 2.271 -13.822 8.749) 16.516 17.106 ( -4.404 -1.091 2.191) 5.038 17.913 ( -0.460 11.990 3.693) 12.554 18.679 ( -4.230 4.252 -6.086) 8.545 19.133 ( 0.530 -0.700 -9.629) 9.669 19.316 ( 2.483 -1.463 -10.820) 11.197 19.862 ( 0.357 0.620 -3.602) 3.672 19.921 ( 4.457 0.914 5.764) 7.343 20.128 ( 0.680 0.208 -5.550) 5.595 20.786 ( -4.713 -12.092 -7.107) 14.797 21.385 ( -0.739 4.400 13.150) 13.886 21.618 ( -2.284 -4.340 8.616) 9.914 22.023 ( -1.853 0.487 -0.447) 1.967 22.216 ( 5.893 -0.142 -2.384) 6.359 ======================= Grid point 83 (41/125) ======================= q-point: (-0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -22.741 20.622 5.453) 31.179 1.579 ( -6.536 31.433 -0.315) 32.107 2.163 ( -1.109 7.227 2.437) 7.707 2.455 ( -4.870 1.021 9.347) 10.589 2.755 ( -0.831 18.509 4.216) 19.002 3.009 ( -3.888 8.842 6.972) 11.912 3.044 ( -3.710 12.363 4.186) 13.569 3.189 ( -1.957 2.205 3.210) 4.358 3.486 ( 1.917 -5.419 -9.432) 11.046 3.747 ( -5.339 3.410 0.409) 6.348 3.794 ( 5.016 -13.818 2.811) 14.967 4.048 ( 9.480 -1.038 -4.295) 10.459 4.246 ( 1.843 -11.798 6.295) 13.499 4.327 ( -3.915 -8.110 10.286) 13.671 4.475 ( 2.271 3.120 -0.088) 3.860 4.753 ( 0.095 3.025 -2.426) 3.879 5.021 ( -5.448 -3.916 -1.460) 6.866 5.052 ( 0.144 -4.418 0.152) 4.423 5.239 ( -3.164 3.792 -1.556) 5.178 5.432 ( 1.289 -5.120 2.073) 5.672 5.579 ( -3.587 3.197 -1.663) 5.085 5.968 ( -2.156 -1.355 -5.155) 5.750 6.045 ( -0.617 0.557 3.624) 3.718 6.225 ( -1.703 1.200 1.344) 2.479 6.351 ( 4.657 6.198 -7.275) 10.631 6.558 ( -0.550 -0.740 8.256) 8.307 6.818 ( -4.636 2.716 3.084) 6.195 7.395 ( -3.602 -4.457 -0.819) 5.788 7.596 ( 3.809 -15.585 -3.614) 16.446 7.913 ( -0.222 -4.508 -8.634) 9.743 8.447 ( 0.828 13.122 -6.771) 14.790 8.594 ( 4.362 3.572 -0.709) 5.682 8.856 ( 3.058 12.729 0.342) 13.095 9.094 ( 1.908 5.899 3.198) 6.976 9.237 ( -1.314 4.519 -0.116) 4.708 9.374 ( 5.182 -2.241 1.066) 5.746 9.586 ( -2.598 -0.714 -0.685) 2.780 9.715 ( 0.352 -0.000 3.989) 4.005 9.954 ( 2.244 -2.932 -7.808) 8.637 10.412 ( -0.558 -7.928 7.169) 10.704 10.757 ( 3.381 7.525 3.156) 8.833 11.077 ( -1.103 0.725 20.605) 20.648 11.275 ( -0.737 8.536 3.329) 9.192 11.738 ( 8.192 12.442 -4.791) 15.648 11.999 ( 0.283 -2.166 -0.159) 2.190 12.172 ( -1.281 -1.736 0.951) 2.358 12.434 ( 4.818 1.915 3.469) 6.239 12.584 ( -3.424 -5.029 -1.828) 6.353 12.841 ( -2.264 4.821 -2.020) 5.696 13.063 ( -0.011 -4.617 -1.995) 5.029 13.391 ( -10.653 -0.721 3.521) 11.242 13.468 ( -6.746 -1.089 1.040) 6.912 14.215 ( -2.926 -1.655 -0.987) 3.504 15.104 ( -3.636 -1.292 -3.140) 4.975 15.372 ( 15.098 4.288 -8.778) 17.983 15.610 ( -0.269 -8.159 0.014) 8.164 15.946 ( 9.192 10.230 2.894) 14.054 16.443 ( 12.144 8.383 1.269) 14.811 16.697 ( -9.476 -7.131 4.858) 12.816 16.986 ( -9.760 -0.057 0.991) 9.810 17.908 ( -0.663 7.103 4.482) 8.425 18.569 ( -4.321 3.500 -8.428) 10.097 19.119 ( 1.583 -0.349 -8.353) 8.509 19.376 ( 5.163 -4.098 -2.790) 7.158 19.849 ( -0.016 1.521 -6.727) 6.897 19.982 ( 0.471 0.138 3.898) 3.928 20.197 ( 8.681 -0.413 -4.104) 9.611 20.645 ( -6.943 -10.494 -9.357) 15.681 21.421 ( 0.132 3.184 10.980) 11.433 21.599 ( -3.473 -1.684 11.305) 11.946 21.993 ( -1.107 0.304 -0.689) 1.339 22.325 ( 6.173 -1.771 -3.711) 7.417 ======================= Grid point 84 (42/125) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.217 27.550 3.007) 27.715 2.077 ( -0.415 20.111 -6.719) 21.208 2.198 ( -0.469 4.183 -4.933) 6.485 2.451 ( -0.439 7.321 6.390) 9.727 2.722 ( -0.506 -8.588 -7.705) 11.548 3.087 ( -3.135 3.084 2.054) 4.854 3.267 ( -2.112 6.428 5.750) 8.880 3.327 ( 2.596 -5.865 -7.209) 9.649 3.514 ( -0.303 -8.607 4.908) 9.913 3.686 ( -2.925 -6.999 7.460) 10.639 3.765 ( -1.882 26.611 12.498) 29.460 3.993 ( -1.845 -9.023 7.620) 11.953 4.105 ( 2.000 -4.814 1.078) 5.323 4.256 ( -1.275 -2.385 5.090) 5.764 4.466 ( -4.202 -7.188 1.805) 8.520 4.775 ( 4.523 8.432 -3.856) 10.316 4.976 ( 3.380 -3.701 -1.729) 5.302 5.010 ( 0.888 2.264 -0.696) 2.530 5.201 ( -3.541 -0.446 -4.460) 5.712 5.411 ( 3.905 2.884 6.540) 8.145 5.551 ( -1.975 -0.086 -0.328) 2.004 5.970 ( -1.531 -1.654 4.037) 4.624 6.055 ( -0.614 5.650 -4.302) 7.128 6.266 ( 0.803 0.481 4.939) 5.027 6.445 ( 1.099 -4.475 2.265) 5.135 6.584 ( 1.286 5.513 -0.056) 5.662 6.778 ( -0.255 -0.299 2.773) 2.801 7.176 ( 0.779 -21.108 -0.650) 21.132 7.412 ( -0.241 1.788 -4.273) 4.639 7.775 ( 1.115 -6.962 -6.353) 9.491 8.664 ( 1.207 8.673 -4.593) 9.888 8.745 ( 0.945 5.677 -2.119) 6.133 9.058 ( -1.897 2.880 -0.021) 3.448 9.127 ( -2.712 1.033 -3.859) 4.828 9.375 ( 5.088 1.683 2.263) 5.817 9.456 ( 1.662 2.961 2.948) 4.497 9.521 ( -7.113 5.629 2.787) 9.490 9.769 ( 0.472 3.080 -1.040) 3.285 9.959 ( 2.908 -2.090 2.213) 4.210 10.193 ( -2.426 -8.532 -1.316) 8.968 10.957 ( -1.148 7.397 5.513) 9.297 11.138 ( -1.886 2.738 11.382) 11.858 11.472 ( -0.309 9.857 2.733) 10.234 11.921 ( 3.554 -4.636 -1.419) 6.011 12.005 ( 1.121 3.813 -1.618) 4.291 12.201 ( -0.236 4.221 5.026) 6.568 12.366 ( -4.300 -5.080 -4.800) 8.206 12.526 ( 1.784 -4.132 1.060) 4.624 12.950 ( 0.957 5.071 0.914) 5.241 13.066 ( 1.215 1.917 -0.166) 2.276 13.233 ( -4.263 1.204 -1.470) 4.668 13.392 ( -0.242 -0.620 -0.558) 0.868 14.225 ( 2.449 5.461 3.283) 6.826 14.981 ( -1.453 -3.797 -4.616) 6.152 15.357 ( -1.513 -6.246 -4.958) 8.117 15.549 ( 3.845 -6.099 -1.177) 7.305 16.321 ( 5.244 5.317 3.511) 8.252 16.431 ( -8.738 2.124 5.990) 10.804 16.786 ( -0.471 4.301 -0.480) 4.353 16.861 ( -2.064 1.445 0.351) 2.544 18.082 ( 0.729 11.146 2.641) 11.478 18.566 ( 2.055 0.744 -3.828) 4.408 19.137 ( 3.026 0.424 -4.866) 5.746 19.355 ( 3.773 -4.498 -4.390) 7.331 19.857 ( 0.746 1.685 -8.714) 8.906 19.979 ( -1.058 -0.155 -1.518) 1.856 20.198 ( -1.942 -4.818 -6.088) 8.003 20.378 ( 2.299 -8.640 -5.512) 10.503 21.491 ( -0.885 2.023 7.651) 7.963 21.576 ( -3.302 0.419 11.170) 11.655 21.997 ( 0.091 1.699 -0.226) 1.717 22.284 ( 0.501 -5.962 -1.965) 6.297 ======================= Grid point 85 (43/125) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 12.869 20.486 1.869) 24.264 2.046 ( -1.137 19.541 -5.696) 20.387 2.227 ( 4.696 2.216 -2.406) 5.723 2.500 ( 3.134 9.056 5.592) 11.096 2.706 ( 1.771 -9.131 -8.936) 12.898 3.019 ( -4.757 1.104 1.461) 5.098 3.188 ( -4.025 0.609 -5.367) 6.736 3.383 ( -1.986 2.110 3.802) 4.780 3.485 ( -0.760 -1.473 5.175) 5.434 3.657 ( -3.117 7.229 6.142) 9.985 3.753 ( -1.267 0.812 8.846) 8.973 3.986 ( -1.679 -8.463 7.554) 11.467 4.119 ( -5.846 -10.734 9.284) 15.349 4.266 ( 5.989 -2.899 -1.829) 6.900 4.433 ( 0.621 6.579 2.310) 7.001 4.848 ( -0.769 4.837 -4.047) 6.353 5.024 ( 3.356 0.678 0.446) 3.453 5.064 ( 3.494 1.780 0.034) 3.921 5.184 ( 4.340 -1.799 -0.824) 4.770 5.459 ( -2.179 -1.219 2.246) 3.358 5.574 ( 6.712 5.103 1.979) 8.660 5.970 ( 0.165 -1.859 1.616) 2.469 6.045 ( 1.370 4.064 -4.855) 6.478 6.278 ( -0.797 -2.115 2.836) 3.626 6.465 ( -0.914 -4.173 6.929) 8.140 6.628 ( 3.861 7.856 -2.261) 9.040 6.822 ( 2.838 -0.144 2.815) 4.000 7.223 ( 4.475 -20.792 1.574) 21.326 7.392 ( -0.005 2.706 -4.728) 5.448 7.776 ( 0.754 -7.147 -6.244) 9.520 8.658 ( -0.196 9.718 -4.745) 10.816 8.737 ( -0.887 5.138 -2.515) 5.789 8.996 ( -4.778 1.731 0.436) 5.101 9.062 ( -3.000 2.094 -1.354) 3.901 9.349 ( -8.149 3.859 -5.145) 10.382 9.450 ( 1.235 2.915 1.328) 3.433 9.493 ( -0.496 -0.810 8.261) 8.316 9.752 ( -1.570 5.419 -5.433) 7.833 9.972 ( -3.104 -7.309 8.031) 11.294 10.203 ( 4.716 -2.076 -3.759) 6.378 10.918 ( -4.773 7.350 7.838) 11.757 11.102 ( -5.808 4.270 7.975) 10.750 11.482 ( 0.222 9.426 4.510) 10.451 11.957 ( -0.037 0.454 -3.317) 3.348 12.040 ( 3.482 -3.937 0.347) 5.267 12.190 ( -3.438 4.961 3.539) 6.997 12.264 ( -3.278 -2.880 -1.957) 4.782 12.567 ( 2.578 -4.269 0.560) 5.018 12.869 ( -8.769 3.949 -3.623) 10.277 13.099 ( 4.421 -1.341 0.992) 4.726 13.274 ( 4.832 1.474 -0.685) 5.098 13.471 ( 9.176 0.368 0.267) 9.187 14.342 ( 7.872 6.785 4.703) 11.408 14.911 ( -4.202 6.238 -8.184) 11.115 15.328 ( 0.236 -11.815 -1.787) 11.952 15.587 ( 0.357 -10.104 -1.401) 10.207 16.251 ( -8.837 6.941 6.851) 13.160 16.383 ( -2.723 0.745 1.792) 3.343 16.618 ( -11.072 6.419 -0.606) 12.812 16.928 ( 3.812 -1.814 -0.021) 4.222 18.143 ( 4.613 14.201 1.947) 15.058 18.647 ( 6.833 0.822 -2.384) 7.283 19.182 ( 3.233 1.119 -4.586) 5.722 19.410 ( 3.624 -4.449 -4.065) 7.032 19.840 ( -0.381 3.213 -7.750) 8.398 19.931 ( -3.195 0.762 -2.388) 4.061 20.103 ( -3.083 -4.614 -6.647) 8.659 20.447 ( 5.325 -14.154 -5.548) 16.108 21.499 ( -1.285 1.156 7.947) 8.133 21.544 ( -3.778 1.248 10.930) 11.632 22.009 ( 1.179 1.920 -0.105) 2.256 22.256 ( -2.476 -4.305 -1.633) 5.228 ======================= Grid point 86 (44/125) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 4.890 14.186 -4.009) 15.532 2.060 ( 10.788 7.344 0.982) 13.088 2.326 ( 5.303 1.318 1.314) 5.620 2.563 ( 0.776 9.850 0.117) 9.881 2.714 ( 2.063 -6.811 -5.719) 9.130 2.942 ( -3.291 3.532 3.905) 6.209 3.089 ( -5.731 3.233 -4.503) 7.973 3.283 ( -5.362 -1.404 -1.790) 5.824 3.477 ( -4.765 8.530 15.742) 18.528 3.712 ( 3.934 -2.430 0.181) 4.628 3.781 ( 4.896 0.194 2.187) 5.365 3.974 ( -1.106 -7.394 6.870) 10.153 4.065 ( -3.286 -10.742 15.893) 19.462 4.400 ( 7.025 -2.049 -1.807) 7.537 4.457 ( -0.032 10.685 0.563) 10.700 4.718 ( -8.234 5.160 -2.534) 10.042 5.057 ( -2.664 6.126 1.567) 6.861 5.150 ( 6.989 2.172 1.753) 7.525 5.311 ( 6.482 -8.435 -1.005) 10.685 5.455 ( 1.521 1.017 0.433) 1.881 5.681 ( 2.611 5.597 -0.110) 6.177 5.980 ( 0.708 -4.318 0.100) 4.376 6.081 ( 4.102 1.662 -4.609) 6.390 6.270 ( -0.355 -2.630 0.071) 2.655 6.472 ( -0.514 -0.864 8.571) 8.630 6.686 ( 2.660 9.608 -3.081) 10.435 6.867 ( 0.797 -2.291 2.956) 3.824 7.331 ( 4.401 -13.465 0.138) 14.167 7.406 ( 4.235 0.075 -2.268) 4.804 7.752 ( -0.856 -6.644 -5.048) 8.388 8.620 ( -2.331 10.293 -3.602) 11.151 8.705 ( -1.189 4.833 -3.205) 5.919 8.887 ( -6.009 1.835 -1.605) 6.484 9.018 ( -1.717 3.240 3.575) 5.121 9.218 ( -3.559 1.073 -3.777) 5.299 9.430 ( -3.829 0.836 2.560) 4.682 9.502 ( -1.029 -2.495 2.360) 3.585 9.670 ( -3.760 0.653 -6.001) 7.111 9.957 ( -1.064 -2.338 7.500) 7.928 10.302 ( 6.553 -0.219 -4.183) 7.777 10.856 ( -4.719 6.567 9.360) 12.370 10.984 ( -8.369 5.176 5.292) 11.173 11.505 ( -0.044 9.734 6.231) 11.558 11.915 ( -1.980 5.104 -5.542) 7.790 12.103 ( 1.543 -4.767 1.627) 5.268 12.130 ( -1.418 0.238 -0.541) 1.537 12.236 ( -0.913 -1.512 1.033) 2.047 12.620 ( 2.052 -6.505 1.715) 7.033 12.699 ( -6.249 4.153 -5.023) 9.029 13.181 ( 3.424 -7.460 -0.916) 8.259 13.374 ( 5.924 5.752 1.691) 8.429 13.674 ( 10.247 0.423 2.033) 10.455 14.515 ( 8.083 9.449 2.671) 12.718 14.790 ( -4.294 10.882 -6.836) 13.550 15.356 ( 2.451 -13.926 -0.344) 14.144 15.540 ( -4.644 -11.490 -2.746) 12.693 16.131 ( -7.111 3.622 6.839) 10.510 16.292 ( -6.039 0.958 0.361) 6.125 16.438 ( -7.250 9.434 1.932) 12.054 16.989 ( 2.816 -4.862 0.976) 5.702 18.235 ( 3.976 18.000 -0.295) 18.436 18.773 ( 6.706 0.815 -1.854) 7.005 19.218 ( 2.343 2.117 -6.156) 6.919 19.448 ( 1.635 -3.078 -6.646) 7.505 19.777 ( -2.793 3.940 -5.797) 7.545 19.864 ( -2.433 0.531 -2.080) 3.245 20.081 ( 2.236 -4.727 -5.518) 7.602 20.513 ( 3.527 -18.370 -4.996) 19.361 21.480 ( -3.784 2.262 10.914) 11.771 21.534 ( -0.966 0.235 8.696) 8.753 22.037 ( 1.860 1.781 -0.193) 2.582 22.196 ( -3.214 -2.019 -1.245) 3.994 ======================= Grid point 87 (45/125) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 2.983 10.742 0.750) 11.174 2.282 ( 8.264 -5.872 -4.675) 11.164 2.360 ( -4.837 -3.754 -1.030) 6.209 2.558 ( 4.429 8.971 -1.242) 10.081 2.771 ( 3.420 1.060 -1.680) 3.955 2.909 ( -8.923 13.607 3.529) 16.650 2.969 ( 1.783 4.312 7.035) 8.442 3.225 ( -0.491 1.083 -3.734) 3.919 3.464 ( -2.147 4.731 14.023) 14.954 3.719 ( -0.687 -14.435 1.304) 14.511 3.874 ( 1.155 4.272 1.245) 4.598 4.057 ( -0.830 -10.073 12.691) 16.224 4.130 ( 11.560 -5.402 10.795) 16.714 4.353 ( -10.818 10.001 0.914) 14.761 4.476 ( 1.259 7.958 -2.364) 8.396 4.643 ( 0.702 2.444 -0.683) 2.633 5.001 ( -2.589 9.008 -0.479) 9.385 5.266 ( 3.472 -1.357 1.269) 3.938 5.353 ( -1.373 -9.882 -1.192) 10.048 5.492 ( 1.994 4.049 -0.085) 4.514 5.674 ( -1.765 5.138 -3.611) 6.524 6.001 ( 1.328 -7.047 0.329) 7.179 6.142 ( 3.306 1.689 -4.696) 5.986 6.260 ( -0.641 -4.239 -1.164) 4.443 6.499 ( -0.202 2.288 5.995) 6.420 6.697 ( -0.409 10.290 -1.454) 10.400 6.880 ( -0.417 -2.843 3.363) 4.423 7.365 ( 0.589 -5.515 -4.269) 7.000 7.470 ( 1.188 -3.921 -3.844) 5.618 7.762 ( 3.545 -5.815 2.250) 7.173 8.558 ( -2.449 9.253 -4.005) 10.376 8.677 ( -0.736 5.357 -2.453) 5.938 8.809 ( -0.929 1.850 -1.175) 2.380 9.032 ( 1.367 4.037 6.982) 8.180 9.183 ( 0.272 0.046 -2.407) 2.423 9.323 ( -6.761 -4.607 -0.604) 8.204 9.494 ( 0.865 -0.585 -2.177) 2.415 9.615 ( -0.901 -1.977 -1.466) 2.621 9.965 ( -0.792 2.101 5.235) 5.696 10.394 ( 4.204 -1.811 -4.976) 6.761 10.783 ( -6.053 6.788 5.762) 10.766 10.896 ( -2.000 4.021 8.609) 9.710 11.515 ( -1.213 10.303 6.312) 12.143 11.871 ( -0.453 9.808 -5.972) 11.492 12.077 ( -2.773 -4.319 1.628) 5.385 12.155 ( 1.872 -1.373 -2.933) 3.741 12.226 ( 0.025 -3.288 0.925) 3.416 12.576 ( -2.963 -5.773 -3.754) 7.496 12.702 ( 3.482 1.125 3.416) 5.006 13.215 ( 0.873 -8.271 -2.564) 8.703 13.471 ( 2.484 6.499 3.444) 7.763 13.818 ( 3.661 -0.314 2.140) 4.252 14.609 ( 3.078 14.252 -2.641) 14.818 14.765 ( 1.141 6.897 0.127) 6.992 15.380 ( 0.014 -11.742 -1.723) 11.868 15.433 ( -3.918 -9.697 -3.657) 11.080 16.038 ( -4.552 1.188 3.308) 5.751 16.191 ( -3.534 -0.194 2.979) 4.626 16.395 ( 0.617 9.580 5.157) 10.897 17.041 ( 2.026 -5.983 2.657) 6.853 18.276 ( 0.966 19.866 -1.810) 19.971 18.856 ( 2.351 0.696 -2.747) 3.682 19.213 ( -0.327 2.683 -9.364) 9.746 19.415 ( -1.447 -1.414 -11.521) 11.697 19.748 ( 1.585 2.911 -0.447) 3.344 19.846 ( 0.936 0.218 -1.236) 1.566 20.110 ( 1.990 -4.272 -4.876) 6.782 20.545 ( 1.622 -19.520 -4.383) 20.072 21.453 ( -3.043 3.354 11.667) 12.515 21.549 ( -0.771 -0.815 8.616) 8.689 22.074 ( 2.063 1.218 -0.171) 2.401 22.136 ( -2.528 -0.556 -1.348) 2.919 ======================= Grid point 88 (46/125) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 6.122 6.933 2.697) 9.634 2.154 ( -11.542 4.403 -5.310) 13.446 2.373 ( 0.706 -3.590 -2.921) 4.682 2.626 ( -3.865 2.193 -0.874) 4.529 2.707 ( -1.477 7.647 0.717) 7.821 2.918 ( 8.542 1.526 -1.380) 8.786 3.090 ( 4.397 12.743 14.088) 19.499 3.224 ( 1.099 4.494 1.845) 4.981 3.470 ( -1.647 -1.975 7.821) 8.233 3.719 ( -0.222 -14.900 2.996) 15.200 3.889 ( 0.205 3.402 2.604) 4.289 4.037 ( -7.112 -10.552 11.236) 16.976 4.110 ( -10.007 5.620 3.946) 12.136 4.437 ( 3.756 8.807 2.622) 9.927 4.451 ( 5.441 4.609 3.402) 7.901 4.661 ( 1.347 2.461 0.702) 2.892 4.976 ( 0.479 6.743 -2.875) 7.346 5.191 ( -8.385 -5.006 -2.809) 10.162 5.356 ( 0.009 -4.970 1.332) 5.146 5.521 ( 0.861 5.713 -2.584) 6.329 5.609 ( -3.681 0.420 -1.392) 3.958 6.016 ( 0.071 -5.989 -1.894) 6.282 6.153 ( -0.244 6.480 -4.297) 7.779 6.247 ( -0.657 -8.218 1.404) 8.363 6.486 ( -1.638 4.282 -1.133) 4.723 6.667 ( -3.420 9.945 2.942) 10.920 6.880 ( -0.581 -5.752 3.198) 6.607 7.313 ( -3.164 -9.541 -7.068) 12.288 7.467 ( -0.044 0.506 -1.931) 1.996 7.842 ( 2.245 -6.292 1.683) 6.889 8.528 ( 1.370 7.448 -3.524) 8.353 8.669 ( 0.679 7.564 -1.422) 7.726 8.846 ( 4.265 3.427 1.495) 5.672 9.113 ( 4.091 5.197 8.870) 11.065 9.175 ( -0.740 -1.399 -3.635) 3.964 9.248 ( 0.666 -4.275 -4.570) 6.293 9.520 ( 1.760 -1.736 1.030) 2.678 9.622 ( 2.320 -1.688 -1.146) 3.089 9.953 ( -2.006 2.723 2.236) 4.055 10.396 ( -2.489 -3.152 -2.650) 4.812 10.744 ( 1.131 7.295 2.679) 7.853 10.939 ( 2.305 2.170 10.121) 10.604 11.506 ( -1.796 10.661 5.516) 12.137 11.859 ( 1.502 11.394 -6.879) 13.394 12.020 ( -3.268 -4.213 -0.620) 5.368 12.161 ( 0.020 -0.987 -0.409) 1.069 12.264 ( 3.167 -2.563 2.453) 4.756 12.526 ( -1.341 -7.624 -4.488) 8.948 12.795 ( 4.860 1.166 4.787) 6.921 13.188 ( -2.857 -3.359 -4.109) 6.028 13.484 ( -1.917 2.730 4.523) 5.620 13.809 ( -5.104 -1.475 1.423) 5.500 14.608 ( -6.833 9.920 -1.123) 12.097 14.803 ( 7.261 7.757 0.219) 10.628 15.364 ( -2.229 -11.192 -4.310) 12.198 15.400 ( 2.878 -5.608 -3.043) 6.999 15.972 ( -2.469 2.961 2.298) 4.488 16.246 ( 7.402 1.909 3.299) 8.325 16.453 ( 2.608 4.288 8.088) 9.519 17.074 ( 0.079 -5.679 3.575) 6.711 18.262 ( -1.985 18.267 -1.769) 18.459 18.832 ( -3.245 1.140 -4.098) 5.350 19.161 ( -0.775 1.184 -10.687) 10.780 19.334 ( -1.972 -1.653 -13.940) 14.175 19.829 ( 5.326 2.706 2.890) 6.636 19.874 ( 2.723 1.561 -1.624) 3.534 20.109 ( -0.210 -3.983 -5.332) 6.659 20.546 ( 0.022 -17.811 -4.232) 18.307 21.449 ( -1.598 3.718 11.280) 11.984 21.562 ( -1.098 -1.147 9.383) 9.516 22.078 ( -2.080 0.864 -0.156) 2.258 22.128 ( 2.714 -0.640 -1.619) 3.225 ======================= Grid point 89 (47/125) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -13.251 13.165 -1.129) 18.713 2.199 ( 3.796 5.927 -2.418) 7.442 2.299 ( -5.739 9.087 -4.512) 11.657 2.514 ( -5.404 10.991 7.563) 14.395 2.754 ( 3.471 -10.245 -5.593) 12.178 3.075 ( 7.175 -1.909 -1.932) 7.672 3.180 ( -0.481 12.180 13.770) 18.390 3.297 ( 5.273 4.630 7.453) 10.237 3.447 ( -2.138 -6.975 -0.095) 7.295 3.710 ( -2.389 -9.858 4.136) 10.954 3.836 ( -7.919 11.629 4.533) 14.782 3.935 ( 0.213 -4.448 5.491) 7.070 4.062 ( -0.967 -5.410 6.679) 8.649 4.359 ( -5.195 12.069 2.165) 13.317 4.522 ( -3.708 -2.141 3.971) 5.840 4.787 ( 7.745 5.137 0.799) 9.328 4.989 ( 1.611 2.883 -3.112) 4.538 5.038 ( -5.778 -4.010 -1.927) 7.292 5.325 ( -3.191 -4.489 3.398) 6.471 5.448 ( -5.376 6.382 -8.995) 12.269 5.577 ( -1.551 -5.586 5.086) 7.712 5.998 ( -0.353 -0.958 -2.836) 3.014 6.131 ( -0.526 7.059 -2.651) 7.558 6.238 ( -1.446 -6.287 3.278) 7.236 6.451 ( -0.943 4.099 -3.869) 5.715 6.600 ( -4.164 6.885 4.714) 9.325 6.873 ( -1.764 -5.847 1.950) 6.411 7.234 ( -2.945 -16.082 -3.939) 16.818 7.448 ( -0.944 3.009 -2.260) 3.880 7.836 ( -1.618 -7.109 -3.960) 8.296 8.582 ( 4.389 6.244 -2.132) 7.924 8.687 ( 1.750 8.587 -1.912) 8.969 8.956 ( 6.009 6.128 3.567) 9.294 9.161 ( 1.343 1.419 -3.326) 3.858 9.227 ( 3.676 0.111 3.877) 5.344 9.277 ( 3.904 0.598 -2.367) 4.605 9.564 ( 2.035 -1.490 5.123) 5.710 9.686 ( 3.911 -0.333 -0.456) 3.951 9.912 ( -1.798 0.865 -2.203) 2.972 10.325 ( -4.015 -4.602 0.597) 6.137 10.817 ( 4.832 7.175 2.474) 8.997 11.028 ( 3.103 1.419 10.165) 10.723 11.488 ( -1.877 10.790 4.429) 11.814 11.874 ( 2.235 6.405 -7.880) 10.398 11.971 ( -1.074 0.260 -0.501) 1.213 12.166 ( 0.137 0.186 2.715) 2.725 12.347 ( 4.300 -1.934 4.249) 6.347 12.488 ( -0.977 -8.251 -5.477) 9.952 12.902 ( 4.632 2.229 3.562) 6.254 13.090 ( -5.157 1.267 -4.802) 7.160 13.447 ( -3.834 -0.611 5.257) 6.535 13.660 ( -10.399 -1.376 0.745) 10.516 14.412 ( -10.868 7.336 -1.762) 13.230 14.971 ( 6.603 -0.851 1.836) 6.906 15.337 ( 3.078 -3.668 -7.452) 8.858 15.432 ( 0.737 -6.395 -1.306) 6.569 16.001 ( 4.838 7.475 2.213) 9.175 16.436 ( 11.119 5.036 1.964) 12.363 16.529 ( 1.599 -1.563 9.527) 9.786 17.060 ( -2.903 -4.088 2.903) 5.794 18.188 ( -5.050 14.721 -0.751) 15.581 18.731 ( -5.500 0.631 -5.362) 7.707 19.123 ( 0.240 -0.039 -9.256) 9.260 19.279 ( 1.218 -2.321 -11.219) 11.522 19.882 ( 1.723 1.377 -4.991) 5.457 19.963 ( 3.682 3.285 3.369) 5.974 20.089 ( 1.699 -3.501 -5.973) 7.129 20.512 ( -2.164 -14.177 -4.621) 15.067 21.464 ( -0.801 3.465 9.905) 10.524 21.574 ( -1.185 -0.844 10.632) 10.731 22.038 ( -1.889 1.130 -0.497) 2.257 22.185 ( 3.782 -2.562 -1.551) 4.824 ======================= Grid point 90 (48/125) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -10.556 23.196 2.610) 25.619 2.142 ( -3.954 19.070 -9.061) 21.480 2.242 ( -1.525 2.819 -2.455) 4.037 2.466 ( -3.130 8.022 7.325) 11.304 2.762 ( -0.499 -8.905 -6.078) 10.793 3.126 ( -1.540 3.930 0.813) 4.299 3.210 ( 1.779 3.335 9.450) 10.178 3.383 ( -2.241 -1.299 -5.174) 5.786 3.442 ( 4.888 -9.067 5.304) 11.586 3.713 ( 1.319 5.616 7.807) 9.707 3.743 ( -5.146 5.390 8.422) 11.246 3.977 ( 0.852 -7.948 7.064) 10.668 4.089 ( 1.558 3.159 0.123) 3.524 4.274 ( -4.643 2.640 6.646) 8.527 4.483 ( -0.628 -4.302 3.878) 5.826 4.807 ( -3.258 2.865 -4.228) 6.058 4.976 ( -2.018 -2.112 -1.692) 3.376 4.996 ( 0.931 3.482 -3.029) 4.708 5.301 ( -3.890 -5.005 -3.834) 7.408 5.342 ( 0.117 4.456 4.368) 6.242 5.564 ( -0.709 -3.585 2.453) 4.401 5.989 ( -0.635 1.189 0.187) 1.361 6.098 ( -2.535 4.294 -1.643) 5.250 6.232 ( 0.359 0.192 3.930) 3.951 6.431 ( 0.058 -0.084 -1.890) 1.892 6.570 ( -0.578 4.576 3.312) 5.678 6.819 ( -3.968 -2.616 1.451) 4.970 7.185 ( -1.271 -20.832 -1.485) 20.923 7.427 ( -0.202 2.939 -3.398) 4.497 7.791 ( -0.698 -6.947 -6.392) 9.466 8.642 ( 2.660 6.644 -3.057) 7.782 8.720 ( 2.334 7.543 -2.345) 8.237 9.054 ( 2.587 5.783 1.365) 6.481 9.172 ( -0.181 0.779 -3.328) 3.423 9.277 ( 3.957 0.281 -0.878) 4.063 9.378 ( 4.649 3.395 5.022) 7.639 9.600 ( -1.512 2.765 3.798) 4.935 9.740 ( 1.797 2.223 3.208) 4.297 9.903 ( 2.557 -2.296 -5.005) 6.071 10.256 ( -3.799 -7.513 1.173) 8.500 10.914 ( 3.776 7.419 3.744) 9.128 11.107 ( 1.026 1.482 11.537) 11.677 11.473 ( -0.933 10.561 3.044) 11.031 11.881 ( 1.540 -2.042 -4.405) 5.094 11.983 ( 1.878 5.681 -1.817) 6.253 12.183 ( 0.260 2.185 4.380) 4.902 12.422 ( 0.442 -4.203 -2.001) 4.676 12.473 ( 2.442 -6.054 0.700) 6.565 12.948 ( -1.034 5.492 -0.874) 5.656 13.027 ( 1.347 1.215 -1.361) 2.267 13.370 ( -6.777 -0.769 3.970) 7.892 13.469 ( -8.452 0.027 -0.475) 8.465 14.248 ( -5.573 5.770 0.148) 8.023 15.013 ( -0.685 -8.603 -1.530) 8.764 15.391 ( 1.475 -1.270 -8.722) 8.937 15.461 ( 4.623 -5.300 1.415) 7.174 16.152 ( 9.607 9.582 2.958) 13.887 16.541 ( -4.186 -3.356 8.028) 9.656 16.646 ( 10.351 6.565 0.837) 12.286 16.982 ( -6.244 -1.408 1.256) 6.522 18.101 ( -3.494 11.826 1.387) 12.410 18.610 ( -4.501 0.321 -5.621) 7.208 19.112 ( 1.671 -0.012 -6.975) 7.172 19.301 ( 3.788 -3.685 -6.618) 8.469 19.878 ( 0.387 1.384 -8.253) 8.377 19.988 ( 0.008 -0.042 -0.245) 0.249 20.159 ( 5.803 -2.142 -4.094) 7.418 20.434 ( -4.070 -10.015 -5.354) 12.063 21.480 ( -0.844 2.827 8.372) 8.876 21.585 ( -1.796 -0.244 11.318) 11.462 22.008 ( -1.095 1.394 -0.443) 1.827 22.250 ( 3.445 -5.028 -1.807) 6.358 ======================= Grid point 91 (49/125) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -0.906 15.982 -0.729) 16.025 2.200 ( -0.077 -2.101 -2.948) 3.621 2.320 ( 1.455 7.879 -3.309) 8.669 2.518 ( -0.113 -10.695 -4.853) 11.745 2.803 ( -0.719 19.991 -5.227) 20.676 3.110 ( -3.015 -9.769 -5.248) 11.492 3.218 ( -4.484 5.715 -4.636) 8.617 3.378 ( 8.426 4.358 5.370) 10.901 3.417 ( -0.577 -6.338 6.468) 9.074 3.492 ( -2.169 -6.418 5.815) 8.928 3.786 ( -1.286 -3.458 16.923) 17.320 3.945 ( -6.729 -13.854 12.015) 19.534 4.046 ( -0.248 5.884 -1.797) 6.157 4.173 ( -3.973 -5.028 1.592) 6.603 4.654 ( 0.777 16.172 3.450) 16.554 4.838 ( 2.020 -2.261 0.800) 3.135 4.943 ( 1.862 0.615 -2.942) 3.536 5.002 ( -2.898 -3.880 -1.640) 5.113 5.284 ( 2.029 8.912 -2.744) 9.543 5.443 ( 0.380 -4.812 1.085) 4.948 5.635 ( 3.296 12.625 4.763) 13.890 5.878 ( 0.405 -8.427 6.403) 10.592 6.190 ( -1.732 7.614 -3.758) 8.666 6.281 ( -1.527 -0.372 1.243) 2.004 6.383 ( -0.677 1.771 6.293) 6.572 6.629 ( -0.071 -16.449 -0.143) 16.449 6.717 ( 3.128 3.252 -1.359) 4.712 6.810 ( 0.513 -6.544 4.062) 7.719 7.506 ( 0.225 5.962 -5.480) 8.101 7.635 ( 0.739 -6.811 -5.962) 9.081 8.796 ( 1.770 4.375 -2.048) 5.145 8.825 ( 0.456 1.552 -1.428) 2.158 9.068 ( -2.563 0.625 -1.487) 3.028 9.109 ( -1.636 -2.588 -5.335) 6.151 9.411 ( 1.892 2.837 4.418) 5.581 9.471 ( 0.540 -2.075 3.217) 3.866 9.693 ( -6.204 9.820 4.159) 12.338 9.857 ( 1.667 -2.018 7.060) 7.529 9.893 ( -0.230 2.567 -4.201) 4.929 10.036 ( 2.624 -7.554 -4.943) 9.402 11.086 ( -0.678 5.194 4.757) 7.075 11.154 ( -0.421 -1.350 6.643) 6.792 11.661 ( -0.135 8.381 2.259) 8.682 11.804 ( 1.468 -6.214 1.789) 6.631 12.107 ( -1.082 5.754 -4.338) 7.287 12.236 ( -2.547 -6.965 -5.284) 9.106 12.300 ( 1.239 5.508 5.075) 7.592 12.418 ( 1.931 -6.037 3.277) 7.136 13.040 ( 0.095 3.592 -0.451) 3.621 13.085 ( 0.243 -0.694 -0.498) 0.888 13.283 ( -2.728 3.685 -1.073) 4.709 13.358 ( -0.847 -3.040 -1.115) 3.347 14.438 ( 2.717 14.954 3.462) 15.588 14.764 ( 2.475 -15.750 1.877) 16.053 15.337 ( -2.542 2.951 -6.211) 7.331 15.428 ( 0.440 -5.638 -3.534) 6.669 16.414 ( 0.606 3.513 4.616) 5.832 16.453 ( -3.554 -0.293 5.530) 6.580 16.846 ( -1.514 1.874 0.226) 2.420 16.869 ( -1.670 -0.463 0.373) 1.773 18.325 ( 2.047 12.006 0.387) 12.186 18.518 ( 2.225 -6.227 -2.041) 6.920 19.172 ( 3.351 3.376 -4.363) 6.454 19.261 ( 3.616 -4.883 -4.932) 7.826 19.894 ( 1.428 2.285 -8.598) 9.010 19.950 ( 1.030 -2.807 -6.178) 6.863 20.154 ( -2.724 1.206 -4.583) 5.466 20.230 ( -1.164 -5.857 -4.484) 7.467 21.535 ( -1.623 2.191 7.731) 8.198 21.570 ( -2.342 -1.098 8.987) 9.351 22.055 ( 0.391 4.148 0.238) 4.173 22.160 ( 0.582 -6.039 -0.250) 6.072 ======================= Grid point 92 (50/125) ======================= q-point: ( 0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 3.639 12.194 -3.033) 13.082 2.214 ( 2.438 -3.561 -3.541) 5.583 2.337 ( -0.254 10.043 -2.199) 10.284 2.508 ( 1.100 -8.025 -5.350) 9.708 2.808 ( 3.244 15.908 -2.759) 16.468 3.030 ( -3.284 -3.729 -2.128) 5.406 3.126 ( -2.429 1.998 -9.546) 10.051 3.369 ( -3.792 -15.454 -1.496) 15.983 3.508 ( -0.351 5.998 12.477) 13.848 3.564 ( 6.357 4.595 9.472) 12.298 3.801 ( -2.755 -5.616 15.726) 16.925 3.844 ( -7.110 -6.985 12.145) 15.711 4.032 ( -1.379 4.018 -0.694) 4.304 4.161 ( 4.170 -7.311 -2.214) 8.703 4.697 ( 2.176 15.163 3.085) 15.626 4.900 ( 3.870 -1.141 0.697) 4.095 4.950 ( -2.885 -2.549 -1.286) 4.059 5.021 ( 6.323 -6.017 -3.592) 9.439 5.299 ( 0.699 8.081 1.746) 8.297 5.413 ( -1.928 -3.686 3.032) 5.147 5.741 ( 4.408 10.914 3.273) 12.217 5.908 ( -0.409 -4.997 2.260) 5.500 6.158 ( 0.279 7.282 -4.915) 8.790 6.250 ( -1.298 -1.435 -1.200) 2.277 6.423 ( 1.924 2.264 8.543) 9.044 6.665 ( 3.246 -17.473 2.199) 17.907 6.781 ( 4.434 5.579 -0.969) 7.192 6.888 ( 6.335 -6.728 4.826) 10.425 7.494 ( 0.450 6.335 -5.563) 8.443 7.631 ( 0.683 -7.132 -5.982) 9.334 8.809 ( 0.285 4.041 -2.773) 4.909 8.814 ( -1.139 2.344 -0.957) 2.776 9.004 ( -4.077 1.443 0.717) 4.384 9.058 ( -1.756 -2.308 -4.006) 4.945 9.418 ( -6.955 0.618 0.512) 7.001 9.430 ( -1.657 -1.349 1.938) 2.884 9.569 ( -6.099 8.075 2.973) 10.547 9.751 ( -8.747 -8.466 0.453) 12.182 9.973 ( 5.484 8.796 0.853) 10.400 10.132 ( 6.672 -5.841 -2.181) 9.132 11.052 ( -4.652 5.682 6.498) 9.806 11.130 ( -4.732 -1.587 6.641) 8.307 11.677 ( 0.978 9.496 2.420) 9.849 11.850 ( 2.246 -7.612 1.530) 8.083 12.068 ( -1.096 3.684 -3.927) 5.495 12.160 ( -3.355 -5.143 -4.527) 7.629 12.322 ( -0.613 6.367 4.432) 7.782 12.454 ( 0.832 -6.521 2.973) 7.215 12.967 ( -6.929 5.152 -3.429) 9.290 13.056 ( -1.764 -3.416 -1.736) 4.219 13.341 ( 7.662 4.927 0.261) 9.113 13.437 ( 9.080 -3.747 0.320) 9.828 14.559 ( 8.000 14.207 5.180) 17.107 14.855 ( 5.830 -12.730 3.163) 14.354 15.235 ( -5.708 4.481 -7.545) 10.468 15.389 ( -3.086 -9.355 -4.820) 10.967 16.354 ( -7.639 3.292 5.743) 10.108 16.389 ( -5.583 -0.423 4.170) 6.981 16.750 ( -5.903 6.374 -0.325) 8.694 16.862 ( -0.632 -4.596 -0.093) 4.640 18.421 ( 7.174 12.506 0.673) 14.434 18.608 ( 7.221 -5.542 -1.393) 9.209 19.227 ( 3.819 3.592 -3.949) 6.563 19.317 ( 4.000 -4.876 -4.249) 7.605 19.903 ( 1.578 2.900 -6.117) 6.951 19.952 ( 1.488 -0.614 -5.853) 6.070 20.046 ( -6.201 1.925 -6.038) 8.866 20.191 ( -0.823 -10.770 -6.748) 12.736 21.529 ( -1.836 1.542 7.815) 8.174 21.551 ( -2.710 -0.491 8.888) 9.304 22.068 ( 0.807 3.946 0.373) 4.045 22.160 ( -0.458 -4.978 -0.098) 5.000 ======================= Grid point 93 (51/125) ======================= q-point: ( 0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 5.502 5.410 -3.873) 8.634 2.247 ( 1.486 2.463 -4.153) 5.052 2.279 ( -3.234 3.662 -3.253) 5.870 2.503 ( -0.745 -10.189 -4.374) 11.113 2.891 ( 5.415 15.243 -1.939) 16.292 3.009 ( 2.174 5.197 -0.071) 5.634 3.084 ( 1.319 -1.397 -8.288) 8.507 3.311 ( -0.842 -13.835 -2.860) 14.153 3.505 ( -4.152 8.798 12.001) 15.449 3.625 ( -4.497 3.840 14.116) 15.305 3.804 ( -3.038 -8.878 15.665) 18.260 3.812 ( -1.691 -9.396 12.843) 16.003 4.050 ( 6.048 12.303 -1.776) 13.824 4.280 ( 7.700 -9.396 -1.324) 12.220 4.742 ( 1.649 13.643 1.917) 13.876 4.846 ( -6.364 7.019 -2.190) 9.725 4.991 ( 4.170 -6.253 2.081) 7.799 5.104 ( 2.661 -11.327 -2.043) 11.813 5.326 ( 1.047 9.315 2.348) 9.663 5.448 ( 4.034 -2.716 2.851) 5.637 5.782 ( -0.311 4.377 0.142) 4.390 5.872 ( -2.607 -5.159 -1.176) 5.899 6.152 ( -0.030 5.141 -2.727) 5.820 6.233 ( 0.151 -2.263 -3.643) 4.291 6.507 ( 3.609 5.847 7.675) 10.301 6.711 ( 0.483 -11.413 1.982) 11.594 6.892 ( 6.999 8.602 -0.465) 11.100 7.068 ( 10.061 -10.067 2.754) 14.496 7.488 ( 0.860 5.824 -3.864) 7.042 7.616 ( -0.023 -6.751 -4.370) 8.041 8.774 ( -2.307 2.930 -1.138) 3.899 8.797 ( -0.828 3.094 -1.649) 3.602 8.914 ( -5.930 4.530 0.518) 7.480 9.023 ( -0.888 -3.100 -1.915) 3.750 9.266 ( -6.741 3.255 -0.124) 7.487 9.366 ( -6.893 -6.792 4.510) 10.676 9.494 ( -2.553 4.629 -0.320) 5.296 9.613 ( -5.092 -5.943 -1.076) 7.899 10.067 ( 4.101 9.785 0.116) 10.611 10.239 ( 5.500 -6.254 -3.003) 8.853 10.974 ( -5.881 4.826 7.705) 10.828 11.033 ( -7.417 -0.534 6.238) 9.706 11.706 ( 0.908 9.872 3.043) 10.370 11.881 ( 0.937 -6.861 -0.104) 6.925 12.059 ( 1.448 0.860 -2.953) 3.400 12.101 ( -1.018 -2.669 -3.961) 4.884 12.304 ( -2.746 6.690 3.096) 7.866 12.458 ( -1.708 -8.321 1.978) 8.722 12.844 ( -3.725 8.709 -3.161) 9.986 13.021 ( -0.733 -8.580 -2.203) 8.889 13.510 ( 8.650 7.098 2.039) 11.373 13.632 ( 9.762 -4.482 1.909) 10.910 14.741 ( 8.886 12.931 4.337) 16.278 14.970 ( 3.941 -0.519 0.683) 4.033 15.103 ( -4.013 -2.900 -5.082) 7.096 15.291 ( -5.007 -12.520 -5.665) 14.626 16.210 ( -9.353 3.587 6.332) 11.851 16.267 ( -8.493 -2.153 4.809) 9.995 16.665 ( -2.702 11.114 0.288) 11.441 16.859 ( 0.507 -8.107 0.468) 8.136 18.554 ( 6.177 13.143 -1.447) 14.594 18.739 ( 6.659 -5.079 -2.537) 8.751 19.281 ( 3.387 4.235 -5.489) 7.716 19.373 ( 3.244 -4.402 -5.531) 7.778 19.880 ( -1.904 3.987 -4.272) 6.146 19.907 ( -4.943 4.888 -5.174) 8.666 19.987 ( 3.369 -2.375 -5.225) 6.655 20.168 ( 0.767 -15.052 -5.638) 16.092 21.519 ( -2.291 1.512 8.838) 9.255 21.538 ( -1.858 -0.304 8.795) 8.994 22.085 ( 0.844 2.832 0.046) 2.956 22.144 ( -1.080 -2.934 -0.303) 3.141 ======================= Grid point 94 (52/125) ======================= q-point: ( 0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -1.321 8.939 -2.790) 9.457 2.211 ( 3.806 -0.802 -4.188) 5.716 2.264 ( 0.067 -2.033 -4.496) 4.935 2.459 ( -1.369 -12.172 -5.440) 13.403 2.977 ( 5.299 17.042 -3.319) 18.153 3.084 ( 0.612 4.034 -3.096) 5.122 3.106 ( 5.637 3.002 1.164) 6.492 3.333 ( 3.498 -11.934 -0.974) 12.474 3.454 ( -4.527 9.587 9.646) 14.333 3.567 ( -6.073 6.144 15.236) 17.514 3.794 ( -3.219 -9.736 12.182) 15.923 3.805 ( -3.891 -13.636 17.478) 22.508 4.219 ( 9.342 9.930 0.797) 13.657 4.386 ( 2.646 -5.295 0.677) 5.958 4.732 ( -3.494 12.600 -0.959) 13.110 4.773 ( 0.772 10.351 1.113) 10.439 5.058 ( 2.025 -6.542 1.456) 7.002 5.102 ( -2.097 -12.358 -0.674) 12.553 5.329 ( -1.349 10.350 -0.106) 10.438 5.520 ( 1.496 -4.986 0.413) 5.222 5.747 ( -1.966 3.881 -2.776) 5.160 5.860 ( 2.129 -6.332 -1.182) 6.784 6.143 ( -0.543 2.841 0.819) 3.006 6.228 ( 0.847 -2.865 -3.642) 4.711 6.570 ( 0.470 5.397 3.680) 6.549 6.708 ( -1.171 -7.062 1.234) 7.264 6.978 ( 1.410 10.746 -3.457) 11.376 7.189 ( 1.575 -10.124 -5.238) 11.507 7.512 ( 2.367 5.372 -0.091) 5.871 7.636 ( 3.208 -6.519 1.989) 7.533 8.721 ( -3.058 4.635 -1.127) 5.666 8.775 ( -0.923 0.836 -0.291) 1.279 8.831 ( -0.998 6.817 0.507) 6.908 9.010 ( 0.063 -6.555 -1.928) 6.833 9.200 ( -1.148 1.670 2.508) 3.225 9.250 ( -5.467 -3.219 5.663) 8.504 9.472 ( 0.464 1.794 -2.437) 3.061 9.553 ( -1.199 -4.611 -1.178) 4.908 10.116 ( 1.223 10.417 -1.502) 10.595 10.304 ( 2.433 -7.301 -4.525) 8.927 10.895 ( -4.862 4.116 6.521) 9.116 10.939 ( -3.739 -0.044 6.923) 7.868 11.723 ( -0.378 9.940 3.417) 10.518 11.893 ( 0.257 -6.352 0.070) 6.358 12.072 ( 1.386 2.493 -3.986) 4.901 12.116 ( 3.461 -2.222 -3.194) 5.207 12.246 ( -3.923 5.721 1.817) 7.171 12.406 ( -3.515 -9.145 -0.671) 9.820 12.825 ( 1.685 9.004 1.044) 9.220 13.024 ( 1.379 -10.236 -0.213) 10.331 13.629 ( 2.528 8.102 1.693) 8.655 13.765 ( 3.020 -4.943 1.465) 5.975 14.868 ( 2.143 11.409 0.352) 11.614 14.946 ( -1.942 10.810 -5.065) 12.094 15.123 ( 2.956 -12.010 2.046) 12.536 15.209 ( -0.137 -12.200 -4.089) 12.868 16.084 ( -5.661 3.018 5.886) 8.707 16.145 ( -5.121 -2.967 6.274) 8.625 16.652 ( 0.620 13.129 1.740) 13.258 16.884 ( 1.519 -9.747 1.984) 10.063 18.618 ( 1.591 13.771 -3.931) 14.409 18.814 ( 2.257 -5.625 -4.381) 7.478 19.288 ( -0.652 4.515 -9.442) 10.486 19.370 ( -1.114 -3.225 -9.888) 10.460 19.842 ( 1.149 5.662 -0.624) 5.811 19.870 ( 1.548 1.872 -2.322) 3.360 20.027 ( 2.259 -1.854 -4.557) 5.413 20.178 ( 1.737 -15.443 -3.157) 15.858 21.509 ( -1.998 2.153 9.588) 10.028 21.538 ( -1.418 -0.794 8.990) 9.136 22.099 ( 0.756 1.224 -0.348) 1.480 22.121 ( -1.157 -0.937 -0.668) 1.632 ======================= Grid point 95 (53/125) ======================= q-point: (-0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -1.149 2.809 -2.524) 3.947 2.248 ( 2.178 7.437 -4.272) 8.849 2.264 ( 2.740 -5.130 -2.703) 6.414 2.438 ( 1.709 -10.903 -6.488) 12.802 3.039 ( -3.466 11.353 -4.151) 12.576 3.062 ( 3.930 14.261 -1.846) 14.907 3.200 ( 2.433 -4.078 2.044) 5.170 3.387 ( 0.013 -13.702 3.172) 14.064 3.439 ( 0.493 14.261 9.443) 17.111 3.519 ( -3.468 5.961 10.967) 12.955 3.778 ( -4.387 -10.454 16.243) 19.808 3.802 ( -0.810 -12.549 13.987) 18.809 4.266 ( -5.524 8.361 2.734) 10.387 4.416 ( 0.283 -5.512 2.301) 5.980 4.719 ( 0.309 13.436 0.721) 13.459 4.809 ( 4.339 11.310 1.818) 12.250 5.022 ( -5.744 -9.744 -1.720) 11.441 5.078 ( 0.403 -4.936 0.144) 4.954 5.294 ( -1.998 5.791 -1.804) 6.386 5.484 ( -4.532 -8.747 -1.252) 9.930 5.719 ( -0.514 9.489 -3.107) 9.998 5.912 ( 2.937 -8.143 -0.549) 8.674 6.138 ( -0.097 3.677 2.508) 4.452 6.244 ( 1.757 -1.813 -2.603) 3.626 6.552 ( -2.749 4.042 0.893) 4.969 6.680 ( -1.877 -7.756 -0.562) 8.000 6.914 ( -6.040 9.642 -3.098) 11.792 7.112 ( -6.064 -9.985 -6.345) 13.294 7.553 ( 1.229 6.573 -0.109) 6.688 7.699 ( 1.295 -7.589 1.479) 7.840 8.685 ( 0.318 7.225 -1.065) 7.310 8.769 ( 0.311 0.568 0.183) 0.673 8.894 ( 6.135 3.763 3.101) 7.837 9.023 ( 2.807 -7.682 -2.620) 8.588 9.223 ( 1.948 1.670 5.131) 5.737 9.230 ( 1.207 0.672 2.878) 3.192 9.491 ( 2.263 0.822 -1.086) 2.642 9.558 ( 2.234 -4.486 -0.978) 5.106 10.098 ( -2.399 10.001 -2.497) 10.583 10.287 ( -2.583 -7.822 -4.184) 9.240 10.873 ( 0.945 5.310 4.655) 7.125 10.946 ( 1.621 -1.697 6.615) 7.019 11.717 ( -1.396 9.723 3.069) 10.291 11.879 ( -1.844 -6.161 -0.171) 6.434 12.100 ( 2.633 7.619 -4.834) 9.399 12.169 ( 1.429 1.609 -0.991) 2.369 12.204 ( 0.709 -1.412 2.618) 3.058 12.344 ( -2.167 -9.800 -3.109) 10.507 12.892 ( 4.161 7.526 3.462) 9.270 13.059 ( 1.741 -8.300 1.032) 8.544 13.606 ( -4.820 7.615 0.975) 9.064 13.742 ( -5.405 -5.298 0.401) 7.579 14.792 ( -8.326 8.779 -2.528) 12.360 14.915 ( -1.044 0.095 -4.758) 4.872 15.182 ( 3.924 -2.801 2.042) 5.236 15.267 ( 5.227 -7.333 -1.243) 9.090 16.054 ( 0.979 4.882 5.054) 7.095 16.161 ( 4.248 -5.675 6.840) 9.851 16.686 ( 1.850 13.188 3.165) 13.688 16.919 ( 1.051 -9.755 3.305) 10.353 18.587 ( -3.341 13.631 -4.755) 14.818 18.788 ( -3.157 -6.095 -5.196) 8.609 19.211 ( -2.490 3.673 -11.370) 12.205 19.286 ( -2.767 -3.246 -12.334) 13.051 19.897 ( 2.922 3.654 -2.160) 5.153 19.940 ( 6.340 3.201 0.579) 7.126 20.032 ( -0.065 -0.551 -4.233) 4.269 20.211 ( 2.547 -14.450 -1.299) 14.731 21.511 ( -1.283 2.404 9.662) 10.039 21.545 ( -1.189 -1.034 9.471) 9.602 22.095 ( -1.172 0.891 -0.591) 1.587 22.113 ( 0.791 -0.851 -0.990) 1.526 ======================= Grid point 96 (54/125) ======================= q-point: (-0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -3.243 9.021 -1.307) 9.675 2.273 ( -0.623 -4.018 -0.983) 4.183 2.311 ( 3.657 5.375 -4.857) 8.115 2.485 ( 4.767 -11.004 -5.555) 13.217 2.938 ( -4.986 17.759 -4.521) 18.992 3.116 ( 3.036 7.065 -2.313) 8.030 3.205 ( -1.237 -8.839 0.305) 8.930 3.366 ( -3.727 -4.397 8.991) 10.680 3.489 ( -3.384 -0.692 2.385) 4.197 3.498 ( 1.476 7.212 7.987) 10.862 3.749 ( -3.897 -5.430 15.559) 16.934 3.877 ( 3.284 -11.058 13.207) 17.535 4.148 ( -6.663 11.082 4.734) 13.770 4.366 ( -5.773 -10.156 3.218) 12.117 4.693 ( -2.810 15.787 1.804) 16.136 4.898 ( -4.310 -1.021 -2.943) 5.318 4.956 ( 6.010 2.624 2.145) 6.900 5.099 ( 2.551 -0.703 0.230) 2.656 5.220 ( -5.561 0.864 -2.641) 6.217 5.388 ( -3.869 -10.060 -0.784) 10.807 5.680 ( -2.835 13.615 -2.308) 14.097 5.939 ( -0.485 -10.061 0.133) 10.073 6.172 ( 2.476 6.198 3.492) 7.533 6.265 ( 1.264 1.881 -2.261) 3.202 6.491 ( -3.968 2.084 1.047) 4.602 6.644 ( -1.100 -12.008 -2.259) 12.268 6.782 ( -6.275 7.685 -0.520) 9.935 6.963 ( -7.799 -10.365 -1.193) 13.026 7.550 ( -0.597 6.334 -2.911) 6.996 7.688 ( -1.394 -7.319 -3.051) 8.051 8.714 ( 2.659 6.206 -1.498) 6.916 8.784 ( 1.302 0.468 -0.612) 1.513 9.034 ( 6.273 2.252 3.168) 7.379 9.091 ( 4.259 -4.097 -1.829) 6.186 9.273 ( 2.582 2.838 1.134) 4.001 9.306 ( 4.614 0.142 3.701) 5.916 9.559 ( 4.994 1.821 2.848) 6.031 9.634 ( 5.858 -4.478 0.634) 7.401 10.021 ( -4.459 8.882 -3.204) 10.443 10.200 ( -4.904 -7.940 -2.758) 9.731 10.946 ( 4.527 5.427 3.856) 8.051 11.024 ( 3.951 -2.115 5.530) 7.118 11.694 ( -2.002 9.014 2.719) 9.625 11.834 ( -2.469 -5.090 -0.430) 5.673 12.117 ( 1.447 9.193 -5.085) 10.605 12.194 ( 1.705 2.678 3.599) 4.798 12.271 ( 3.856 -4.677 2.968) 6.750 12.308 ( -0.345 -9.381 -5.202) 10.732 12.983 ( 4.071 5.231 2.675) 7.147 13.077 ( -0.262 -3.192 -0.333) 3.220 13.495 ( -6.819 4.891 2.167) 8.667 13.599 ( -9.060 -4.612 0.444) 10.176 14.604 ( -9.855 11.421 -2.273) 15.255 14.841 ( -4.666 -11.007 -3.299) 12.402 15.293 ( 6.484 0.845 0.998) 6.615 15.345 ( 3.385 -3.531 -2.371) 5.436 16.156 ( 7.502 7.742 4.531) 11.694 16.311 ( 7.941 -7.840 6.835) 13.086 16.736 ( 2.351 11.655 3.201) 12.314 16.937 ( -0.512 -8.158 3.276) 8.806 18.473 ( -6.574 12.950 -3.924) 15.043 18.676 ( -6.338 -6.615 -5.065) 10.468 19.149 ( -0.142 2.847 -9.684) 10.094 19.220 ( 0.187 -3.542 -10.505) 11.087 19.922 ( 1.315 2.752 -6.176) 6.888 19.991 ( -0.779 -3.533 -6.399) 7.351 20.077 ( 5.747 6.001 1.699) 8.481 20.253 ( 1.865 -11.148 -0.826) 11.333 21.523 ( -0.896 2.390 9.101) 9.452 21.558 ( -0.912 -1.096 9.920) 10.022 22.072 ( -1.052 2.256 -0.658) 2.575 22.126 ( 1.004 -3.044 -1.018) 3.363 ======================= Grid point 97 (55/125) ======================= q-point: (-0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -2.854 14.544 1.074) 14.860 2.235 ( -2.178 -2.829 -2.465) 4.339 2.327 ( 0.036 6.677 -4.867) 8.263 2.530 ( 1.277 -12.165 -4.632) 13.080 2.850 ( -2.414 20.455 -5.468) 21.310 3.149 ( 1.408 -7.939 -7.853) 11.255 3.231 ( 4.648 1.032 3.971) 6.200 3.311 ( -5.546 5.858 8.144) 11.463 3.418 ( -3.064 -3.222 2.015) 4.881 3.524 ( -1.295 -9.375 3.703) 10.163 3.751 ( -1.543 1.373 15.801) 15.935 3.970 ( 0.464 -14.466 12.619) 19.202 4.070 ( -3.164 9.725 3.050) 10.672 4.261 ( -6.210 -8.186 3.629) 10.897 4.654 ( -1.816 16.775 2.735) 17.093 4.829 ( -1.228 -2.093 -1.836) 3.043 4.975 ( -2.939 3.284 -1.592) 4.685 5.092 ( -6.111 -3.463 -1.869) 7.268 5.207 ( 6.742 5.124 -0.442) 8.480 5.385 ( 3.455 -7.234 0.404) 8.027 5.620 ( -2.363 13.848 1.243) 14.103 5.899 ( -3.555 -10.871 2.950) 11.812 6.219 ( 0.407 8.571 0.144) 8.582 6.279 ( 0.835 2.880 1.014) 3.165 6.417 ( -4.272 0.997 3.079) 5.359 6.634 ( 0.553 -17.186 -1.746) 17.283 6.701 ( -1.883 6.486 -0.839) 6.806 6.841 ( -4.932 -8.895 2.612) 10.501 7.525 ( -0.431 5.863 -4.725) 7.542 7.652 ( -0.577 -6.732 -5.415) 8.659 8.760 ( 2.688 4.914 -1.844) 5.897 8.809 ( 1.542 0.780 -1.203) 2.105 9.098 ( 0.461 0.871 -1.859) 2.104 9.136 ( 0.884 -2.875 -3.256) 4.433 9.340 ( 3.762 4.543 3.490) 6.854 9.407 ( 4.312 -1.346 4.300) 6.237 9.679 ( 4.951 4.480 5.532) 8.671 9.761 ( 6.083 -2.427 4.129) 7.742 9.927 ( -3.411 6.678 -5.231) 9.143 10.097 ( -4.997 -8.626 -2.852) 10.369 11.041 ( 3.645 5.071 3.886) 7.356 11.109 ( 2.760 -1.593 5.799) 6.617 11.668 ( -1.488 8.245 2.427) 8.723 11.797 ( -1.195 -5.013 0.627) 5.191 12.125 ( 0.820 7.467 -4.711) 8.867 12.247 ( 2.300 4.091 4.677) 6.626 12.283 ( -0.681 -7.862 -5.535) 9.639 12.354 ( 3.576 -5.923 3.898) 7.941 13.039 ( 0.590 3.106 -0.424) 3.190 13.063 ( 0.694 0.872 -1.092) 1.561 13.382 ( -6.246 2.249 2.385) 7.054 13.442 ( -7.270 -2.774 0.322) 7.788 14.453 ( -5.001 13.996 0.088) 14.863 14.761 ( -2.355 -15.357 -0.853) 15.560 15.371 ( 0.609 0.136 -3.675) 3.728 15.396 ( 4.083 -2.090 -2.079) 5.036 16.320 ( 7.172 7.214 4.544) 11.142 16.445 ( 2.814 -5.407 6.727) 9.077 16.799 ( 3.488 7.201 1.560) 8.152 16.920 ( -2.264 -4.704 1.846) 5.537 18.352 ( -4.405 12.252 -1.708) 13.131 18.552 ( -4.423 -6.713 -3.878) 8.926 19.140 ( 1.979 3.039 -6.736) 7.650 19.220 ( 2.748 -4.364 -7.187) 8.846 19.910 ( 0.379 1.962 -8.702) 8.928 19.959 ( 0.118 -2.622 -6.476) 6.987 20.161 ( 2.766 2.800 -1.384) 4.172 20.261 ( -0.491 -6.953 -2.115) 7.284 21.534 ( -1.157 2.455 8.294) 8.727 21.573 ( -1.310 -1.237 9.649) 9.816 22.055 ( -0.440 3.435 -0.295) 3.476 22.144 ( 1.144 -5.189 -0.712) 5.361 ======================= Grid point 126 (56/125) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 10.633 0.000 22.564) 24.944 1.458 ( -1.794 0.000 36.751) 36.795 1.801 ( -5.289 0.000 -6.883) 8.681 2.261 ( -4.092 0.000 50.297) 50.464 2.598 ( 0.134 0.000 -1.277) 1.284 2.741 ( -1.292 0.000 -1.963) 2.350 3.108 ( -3.160 0.000 3.079) 4.412 3.204 ( 0.510 0.000 10.388) 10.400 3.398 ( 6.782 0.000 -21.850) 22.879 3.539 ( 3.864 0.000 -7.421) 8.367 3.986 ( 10.109 0.000 -10.797) 14.790 4.440 ( 13.391 0.000 11.678) 17.768 4.446 ( -8.695 0.000 5.107) 10.084 4.681 ( -2.280 0.000 11.494) 11.718 4.778 ( -0.619 0.000 10.287) 10.306 4.794 ( -9.748 0.000 -21.171) 23.308 4.833 ( -1.146 0.000 -0.494) 1.248 4.991 ( -8.358 0.000 21.315) 22.895 5.123 ( -7.737 0.000 -2.403) 8.101 5.179 ( 7.671 0.000 -3.056) 8.257 5.549 ( -0.741 0.000 -6.180) 6.225 5.816 ( -2.709 0.000 -5.931) 6.520 5.900 ( -0.712 0.000 -11.615) 11.637 6.263 ( 10.979 0.000 -7.358) 13.217 6.567 ( 5.704 0.000 5.393) 7.850 6.616 ( -1.276 0.000 15.875) 15.926 6.726 ( -2.232 0.000 4.648) 5.156 7.654 ( 9.647 0.000 -18.749) 21.085 7.720 ( 2.579 0.000 -2.595) 3.659 7.826 ( -2.339 0.000 -6.309) 6.728 8.083 ( -2.434 0.000 7.611) 7.991 8.413 ( -0.545 0.000 -1.729) 1.813 8.453 ( -1.550 0.000 -3.740) 4.048 8.879 ( -2.098 0.000 -14.654) 14.804 9.202 ( -2.939 0.000 11.142) 11.523 9.383 ( -5.042 0.000 14.742) 15.580 9.513 ( -1.672 0.000 0.617) 1.782 9.834 ( 6.008 0.000 -1.944) 6.315 10.149 ( 1.151 0.000 -8.705) 8.781 10.460 ( 0.684 0.000 -14.055) 14.072 10.848 ( -0.052 0.000 8.504) 8.504 11.024 ( 0.999 0.000 -2.545) 2.734 11.214 ( -3.318 0.000 12.372) 12.809 12.002 ( 0.940 0.000 -3.325) 3.455 12.127 ( -5.468 0.000 6.549) 8.531 12.394 ( 0.955 0.000 -1.988) 2.205 12.574 ( 11.624 0.000 1.446) 11.714 12.608 ( 1.250 0.000 -0.497) 1.345 13.004 ( 6.799 0.000 0.796) 6.845 13.157 ( -27.035 0.000 -3.302) 27.236 13.175 ( -5.924 0.000 -2.973) 6.629 13.197 ( -7.349 0.000 -2.268) 7.691 14.022 ( 1.574 0.000 5.637) 5.853 14.289 ( 0.217 0.000 -2.998) 3.006 15.716 ( 9.899 0.000 -1.332) 9.988 15.720 ( -3.712 0.000 -2.320) 4.378 16.202 ( 21.861 0.000 3.627) 22.160 16.433 ( -2.774 0.000 -3.268) 4.287 16.494 ( -24.341 0.000 3.621) 24.609 16.634 ( 4.893 0.000 1.241) 5.048 17.863 ( -9.214 0.000 7.678) 11.994 18.619 ( 9.844 0.000 21.942) 24.049 18.838 ( 4.379 0.000 -19.446) 19.932 19.691 ( -2.639 0.000 -2.600) 3.704 19.774 ( -1.034 0.000 -2.095) 2.337 20.101 ( -6.679 0.000 7.383) 9.955 20.103 ( -15.094 0.000 -21.315) 26.118 20.608 ( 26.057 0.000 -10.432) 28.068 21.671 ( 1.406 0.000 7.924) 8.048 21.954 ( 0.042 0.000 -1.838) 1.839 21.978 ( -0.928 0.000 8.083) 8.136 22.099 ( -0.248 0.000 1.879) 1.895 ======================= Grid point 127 (57/125) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -9.708 0.000 20.074) 22.298 1.440 ( 27.135 0.000 18.271) 32.713 1.915 ( 14.209 0.000 7.526) 16.079 2.379 ( 1.657 0.000 23.592) 23.650 2.601 ( 0.495 0.000 0.756) 0.904 2.800 ( 4.970 0.000 17.363) 18.061 3.120 ( 3.213 0.000 2.093) 3.835 3.219 ( -4.409 0.000 16.455) 17.035 3.368 ( 3.643 0.000 -26.474) 26.723 3.685 ( 9.980 0.000 -11.592) 15.296 4.077 ( -1.133 0.000 -12.110) 12.163 4.215 ( -11.535 0.000 3.011) 11.922 4.539 ( -4.525 0.000 4.814) 6.607 4.587 ( -2.378 0.000 -22.040) 22.168 4.622 ( -6.222 0.000 14.911) 16.157 4.884 ( -4.714 0.000 15.578) 16.275 4.890 ( 4.436 0.000 -0.342) 4.449 4.935 ( -4.386 0.000 4.877) 6.559 5.025 ( 4.667 0.000 9.507) 10.590 5.265 ( 2.958 0.000 -8.711) 9.199 5.543 ( 2.617 0.000 1.575) 3.054 5.736 ( -3.102 0.000 -5.882) 6.650 5.896 ( 3.366 0.000 -11.083) 11.583 6.438 ( 10.111 0.000 -8.496) 13.207 6.588 ( -5.689 0.000 12.135) 13.402 6.646 ( 0.461 0.000 4.399) 4.423 6.735 ( 1.106 0.000 2.792) 3.003 7.759 ( 5.521 0.000 -15.587) 16.536 7.772 ( 1.477 0.000 -7.967) 8.103 7.784 ( 5.224 0.000 -5.036) 7.256 8.067 ( -2.237 0.000 9.269) 9.535 8.378 ( -3.330 0.000 -1.615) 3.701 8.411 ( -1.678 0.000 -2.153) 2.729 8.775 ( -2.510 0.000 -14.352) 14.570 9.138 ( -7.675 0.000 15.103) 16.941 9.390 ( 1.004 0.000 9.544) 9.597 9.490 ( -1.445 0.000 2.671) 3.037 9.956 ( 7.802 0.000 -3.369) 8.499 10.096 ( -3.707 0.000 -8.336) 9.123 10.393 ( -3.172 0.000 -12.160) 12.567 10.835 ( -3.065 0.000 6.604) 7.281 11.031 ( 0.811 0.000 -3.112) 3.216 11.167 ( -7.445 0.000 16.634) 18.224 11.865 ( -25.064 0.000 23.155) 34.123 12.008 ( 1.110 0.000 -5.027) 5.148 12.397 ( 0.211 0.000 -3.052) 3.059 12.444 ( -8.970 0.000 2.071) 9.206 12.598 ( -1.156 0.000 -3.537) 3.721 13.008 ( 7.474 0.000 -5.361) 9.198 13.012 ( -2.400 0.000 0.633) 2.482 13.281 ( 12.006 0.000 3.240) 12.436 13.342 ( 12.334 0.000 0.448) 12.342 14.072 ( 2.239 0.000 5.574) 6.007 14.286 ( 0.515 0.000 -3.852) 3.886 15.663 ( -0.900 0.000 -3.170) 3.295 15.934 ( 11.069 0.000 -2.605) 11.371 16.071 ( -13.194 0.000 10.454) 16.834 16.185 ( -17.803 0.000 -4.529) 18.370 16.553 ( 7.814 0.000 -6.324) 10.053 16.840 ( 11.743 0.000 1.166) 11.801 17.708 ( -10.293 0.000 11.532) 15.457 18.849 ( 3.766 0.000 -19.093) 19.461 18.861 ( 7.338 0.000 22.643) 23.802 19.518 ( -12.150 0.000 -11.841) 16.965 19.760 ( -1.144 0.000 -2.221) 2.498 19.925 ( 1.334 0.000 -10.196) 10.282 20.004 ( -3.946 0.000 3.895) 5.545 20.908 ( 11.054 0.000 -9.752) 14.741 21.709 ( -1.125 0.000 9.625) 9.690 21.954 ( 0.638 0.000 -1.864) 1.970 21.967 ( -1.897 0.000 3.818) 4.263 22.092 ( -1.155 0.000 1.645) 2.011 ======================= Grid point 128 (58/125) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -5.856 0.000 18.161) 19.082 1.953 ( 18.978 0.000 18.701) 26.644 2.249 ( 15.788 0.000 11.043) 19.266 2.425 ( -1.007 0.000 0.759) 1.261 2.650 ( 5.254 0.000 3.752) 6.456 2.988 ( 4.544 0.000 15.858) 16.496 3.179 ( 0.038 0.000 1.022) 1.023 3.215 ( 0.456 0.000 24.886) 24.890 3.389 ( 7.011 0.000 -23.771) 24.783 3.758 ( 0.973 0.000 -8.905) 8.958 3.809 ( -16.142 0.000 -6.356) 17.348 4.150 ( 1.466 0.000 -8.415) 8.542 4.341 ( -14.810 0.000 -2.987) 15.108 4.603 ( 10.031 0.000 -18.647) 21.174 4.607 ( -2.537 0.000 16.498) 16.692 4.784 ( -8.173 0.000 10.978) 13.687 4.886 ( -1.066 0.000 13.463) 13.505 4.930 ( -0.307 0.000 -1.813) 1.839 5.189 ( 4.908 0.000 11.535) 12.536 5.283 ( 4.107 0.000 -10.408) 11.189 5.621 ( 2.930 0.000 3.079) 4.250 5.681 ( -0.767 0.000 -4.028) 4.100 5.926 ( 3.115 0.000 -8.260) 8.828 6.503 ( -7.283 0.000 10.168) 12.508 6.552 ( 2.929 0.000 -7.989) 8.509 6.616 ( -2.360 0.000 -0.939) 2.540 6.783 ( 3.507 0.000 0.347) 3.524 7.714 ( -1.619 0.000 -7.309) 7.486 7.857 ( 3.921 0.000 -5.448) 6.713 7.863 ( 7.501 0.000 -16.448) 18.077 8.067 ( -1.400 0.000 11.147) 11.235 8.271 ( -6.218 0.000 -1.001) 6.298 8.379 ( -1.232 0.000 -0.848) 1.496 8.729 ( 2.139 0.000 -10.486) 10.702 9.069 ( -4.944 0.000 17.384) 18.074 9.451 ( 2.361 0.000 4.187) 4.807 9.478 ( -0.768 0.000 3.181) 3.272 9.967 ( -6.674 0.000 -6.797) 9.526 10.091 ( 8.119 0.000 -6.111) 10.162 10.264 ( -6.281 0.000 -9.995) 11.805 10.803 ( -2.568 0.000 3.514) 4.352 11.030 ( 0.252 0.000 -4.111) 4.119 11.064 ( -9.701 0.000 26.362) 28.090 11.583 ( -12.915 0.000 25.147) 28.270 12.016 ( 2.277 0.000 -6.760) 7.133 12.364 ( -2.878 0.000 -4.339) 5.206 12.382 ( -0.589 0.000 -1.025) 1.183 12.565 ( -0.014 0.000 -6.062) 6.062 12.998 ( 0.044 0.000 0.294) 0.297 13.098 ( 4.375 0.000 -4.977) 6.626 13.504 ( 8.946 0.000 7.841) 11.896 13.607 ( 14.708 0.000 1.952) 14.837 14.160 ( 5.264 0.000 4.903) 7.194 14.280 ( 0.449 0.000 -5.024) 5.044 15.652 ( -2.385 0.000 -2.537) 3.482 15.808 ( -11.422 0.000 7.565) 13.700 15.825 ( -14.279 0.000 -5.737) 15.389 16.224 ( 9.834 0.000 -12.701) 16.063 16.588 ( 2.888 0.000 3.527) 4.558 17.026 ( 7.178 0.000 0.944) 7.240 17.579 ( -7.936 0.000 15.819) 17.698 18.848 ( 3.196 0.000 -19.147) 19.412 19.002 ( -1.376 0.000 17.981) 18.034 19.275 ( -7.639 0.000 -16.681) 18.347 19.712 ( -0.855 0.000 -0.527) 1.004 19.961 ( 3.525 0.000 -5.124) 6.220 20.011 ( 2.107 0.000 3.308) 3.922 21.007 ( 3.759 0.000 -7.676) 8.547 21.691 ( -4.933 0.000 15.293) 16.068 21.951 ( -0.123 0.000 -1.642) 1.647 21.964 ( 1.005 0.000 -1.481) 1.790 22.071 ( -1.397 0.000 0.983) 1.708 ======================= Grid point 129 (59/125) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -4.213 0.000 21.224) 21.638 2.123 ( -8.344 0.000 11.242) 14.000 2.484 ( 4.801 0.000 12.849) 13.717 2.497 ( 9.542 0.000 12.511) 15.735 2.846 ( 9.950 0.000 3.131) 10.431 3.007 ( -3.704 0.000 3.092) 4.825 3.093 ( -5.284 0.000 1.396) 5.465 3.343 ( 2.594 0.000 2.561) 3.645 3.467 ( 3.749 0.000 -0.692) 3.812 3.529 ( -10.787 0.000 -8.838) 13.945 3.673 ( -4.677 0.000 -7.356) 8.717 4.011 ( -17.283 0.000 -5.194) 18.046 4.247 ( 11.846 0.000 -8.994) 14.874 4.650 ( 1.142 0.000 13.633) 13.681 4.728 ( -1.059 0.000 12.766) 12.810 4.738 ( 5.870 0.000 -7.281) 9.353 4.903 ( 2.857 0.000 -12.109) 12.441 4.962 ( 2.784 0.000 18.497) 18.705 5.278 ( 1.003 0.000 9.411) 9.464 5.352 ( 6.006 0.000 -7.875) 9.904 5.631 ( -2.725 0.000 0.350) 2.747 5.686 ( 2.123 0.000 -0.223) 2.134 5.949 ( 1.606 0.000 -5.754) 5.974 6.400 ( -6.753 0.000 9.301) 11.494 6.445 ( -8.437 0.000 -1.089) 8.507 6.606 ( -0.078 0.000 -12.001) 12.001 6.854 ( 3.395 0.000 0.130) 3.398 7.660 ( -1.028 0.000 -11.990) 12.034 7.872 ( -0.783 0.000 -13.655) 13.677 7.882 ( 0.414 0.000 -4.132) 4.153 8.089 ( -0.745 0.000 12.462) 12.484 8.243 ( 4.065 0.000 1.593) 4.366 8.361 ( -0.225 0.000 -0.511) 0.559 8.758 ( 3.646 0.000 -7.883) 8.685 9.084 ( 0.101 0.000 19.047) 19.048 9.481 ( -0.624 0.000 -0.455) 0.772 9.487 ( 0.711 0.000 2.607) 2.702 9.843 ( -3.242 0.000 -4.757) 5.757 10.083 ( -7.172 0.000 -11.095) 13.211 10.233 ( 7.570 0.000 -7.055) 10.348 10.738 ( -5.892 0.000 7.032) 9.174 11.011 ( -0.552 0.000 -4.992) 5.022 11.052 ( -1.135 0.000 25.650) 25.675 11.506 ( -5.038 0.000 21.662) 22.240 12.056 ( 4.366 0.000 -6.324) 7.685 12.269 ( -4.710 0.000 -6.559) 8.075 12.373 ( -0.258 0.000 -1.375) 1.399 12.556 ( 1.037 0.000 -6.777) 6.855 12.991 ( -1.187 0.000 0.397) 1.252 13.147 ( 2.592 0.000 -4.083) 4.837 13.659 ( 4.946 0.000 9.529) 10.736 13.886 ( 13.776 0.000 5.477) 14.825 14.241 ( -0.977 0.000 1.864) 2.104 14.270 ( 0.559 0.000 -6.213) 6.238 15.463 ( -6.768 0.000 -1.703) 6.979 15.634 ( -10.380 0.000 5.535) 11.764 15.792 ( 4.806 0.000 -3.366) 5.868 16.111 ( -10.415 0.000 -19.987) 22.538 16.863 ( 19.486 0.000 9.268) 21.578 17.100 ( 0.497 0.000 0.603) 0.781 17.537 ( -2.551 0.000 18.712) 18.885 18.845 ( 3.547 0.000 -19.512) 19.831 18.903 ( -12.271 0.000 6.819) 14.038 19.129 ( -2.032 0.000 -16.517) 16.642 19.784 ( 6.496 0.000 5.238) 8.345 19.990 ( 0.781 0.000 -3.656) 3.739 20.060 ( 1.119 0.000 5.427) 5.541 21.013 ( 0.006 0.000 -8.603) 8.603 21.647 ( -5.348 0.000 17.541) 18.338 21.944 ( 0.083 0.000 -3.183) 3.184 21.980 ( 0.962 0.000 -0.784) 1.241 22.051 ( -0.908 0.000 0.204) 0.931 ======================= Grid point 130 (60/125) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -5.652 0.000 25.795) 26.407 1.890 ( -18.257 0.000 9.598) 20.626 2.546 ( -3.617 0.000 12.180) 12.706 2.712 ( 3.697 0.000 16.748) 17.151 2.741 ( -11.884 0.000 -0.916) 11.919 2.862 ( -14.284 0.000 14.791) 20.562 3.266 ( 11.582 0.000 -4.840) 12.553 3.295 ( -6.802 0.000 -7.171) 9.884 3.371 ( -0.396 0.000 2.175) 2.210 3.387 ( -6.014 0.000 0.797) 6.067 3.675 ( 4.538 0.000 -10.349) 11.300 3.765 ( -4.440 0.000 -8.211) 9.334 4.449 ( 10.431 0.000 -13.042) 16.700 4.688 ( -0.071 0.000 7.563) 7.564 4.736 ( -0.661 0.000 3.057) 3.127 4.822 ( 2.607 0.000 14.858) 15.085 5.003 ( 10.011 0.000 -17.884) 20.495 5.088 ( 2.189 0.000 23.207) 23.310 5.298 ( -0.987 0.000 4.491) 4.598 5.431 ( 4.401 0.000 -5.630) 7.146 5.527 ( -8.012 0.000 -0.509) 8.028 5.753 ( 4.258 0.000 2.687) 5.034 5.945 ( 1.022 0.000 -8.362) 8.424 6.306 ( -5.080 0.000 -1.085) 5.195 6.340 ( -2.591 0.000 10.943) 11.245 6.505 ( -6.028 0.000 -11.453) 12.943 6.889 ( -0.218 0.000 1.451) 1.467 7.570 ( -1.942 0.000 -20.917) 21.007 7.845 ( -2.916 0.000 -2.658) 3.946 7.849 ( 2.225 0.000 -3.441) 4.098 8.114 ( -1.322 0.000 12.445) 12.515 8.354 ( 5.613 0.000 -0.607) 5.646 8.377 ( 2.507 0.000 -1.639) 2.995 8.807 ( 4.602 0.000 -7.276) 8.609 9.194 ( 3.751 0.000 20.806) 21.141 9.413 ( -5.661 0.000 -0.110) 5.662 9.518 ( 1.794 0.000 0.956) 2.033 9.845 ( 5.049 0.000 -5.373) 7.373 9.913 ( -6.764 0.000 -9.183) 11.405 10.346 ( 7.469 0.000 -10.982) 13.281 10.669 ( -4.275 0.000 12.050) 12.786 10.985 ( -0.069 0.000 -4.828) 4.828 11.146 ( 2.028 0.000 17.959) 18.073 11.531 ( -0.056 0.000 23.782) 23.782 12.120 ( 0.855 0.000 -0.227) 0.884 12.176 ( 0.882 0.000 -11.012) 11.047 12.359 ( -0.992 0.000 -0.503) 1.112 12.548 ( 0.674 0.000 -7.573) 7.603 12.959 ( -2.185 0.000 0.500) 2.241 13.166 ( 0.881 0.000 -3.957) 4.054 13.762 ( 2.381 0.000 10.039) 10.317 14.078 ( -14.551 0.000 -1.953) 14.682 14.145 ( 10.481 0.000 5.552) 11.861 14.269 ( 2.748 0.000 -5.401) 6.060 15.440 ( -11.709 0.000 1.818) 11.850 15.524 ( 11.447 0.000 0.082) 11.447 15.856 ( -9.036 0.000 -13.253) 16.040 15.877 ( 4.834 0.000 -0.415) 4.852 17.055 ( -5.209 0.000 -0.254) 5.216 17.232 ( 15.959 0.000 -0.494) 15.967 17.614 ( 3.963 0.000 19.243) 19.647 18.665 ( -13.521 0.000 1.908) 13.655 18.844 ( 3.343 0.000 -20.864) 21.130 19.113 ( 6.382 0.000 -8.486) 10.618 19.910 ( 3.623 0.000 2.740) 4.542 19.962 ( -2.464 0.000 -2.971) 3.859 20.095 ( 0.343 0.000 11.064) 11.069 20.948 ( -3.385 0.000 -12.543) 12.992 21.618 ( -4.122 0.000 17.401) 17.883 21.932 ( -0.325 0.000 -1.810) 1.839 21.989 ( 0.049 0.000 -0.338) 0.342 22.045 ( 0.433 0.000 -0.070) 0.439 ======================= Grid point 131 (61/125) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -5.351 0.000 31.182) 31.638 1.517 ( -25.323 0.000 8.008) 26.559 2.353 ( -16.675 0.000 2.928) 16.930 2.468 ( -25.530 0.000 39.783) 47.271 2.633 ( -2.155 0.000 2.033) 2.963 2.886 ( 2.365 0.000 2.101) 3.163 3.162 ( -6.228 0.000 6.401) 8.931 3.252 ( -2.346 0.000 -1.799) 2.956 3.293 ( -0.876 0.000 -12.832) 12.862 3.602 ( 13.342 0.000 1.974) 13.488 3.685 ( -0.774 0.000 -8.873) 8.907 3.809 ( 10.944 0.000 -5.727) 12.352 4.479 ( -0.219 0.000 -9.002) 9.004 4.711 ( -0.362 0.000 7.671) 7.679 4.833 ( 8.653 0.000 -2.853) 9.111 4.855 ( -3.749 0.000 11.521) 12.115 5.073 ( 2.109 0.000 -12.425) 12.603 5.146 ( -4.838 0.000 21.125) 21.672 5.293 ( -0.875 0.000 3.248) 3.364 5.320 ( -11.931 0.000 -2.601) 12.211 5.499 ( 3.598 0.000 -4.017) 5.393 5.834 ( 3.118 0.000 0.304) 3.133 5.961 ( 5.046 0.000 -12.654) 13.623 6.236 ( -4.190 0.000 -7.619) 8.695 6.361 ( -3.059 0.000 -0.490) 3.098 6.392 ( 3.169 0.000 15.073) 15.402 6.856 ( -3.965 0.000 3.903) 5.564 7.503 ( 3.199 0.000 -21.443) 21.680 7.771 ( -3.734 0.000 -1.471) 4.013 7.889 ( 2.174 0.000 -3.623) 4.225 8.118 ( -2.251 0.000 10.028) 10.277 8.416 ( 1.651 0.000 -1.821) 2.458 8.435 ( 3.967 0.000 -3.167) 5.076 8.878 ( 5.359 0.000 -8.576) 10.112 9.267 ( -4.800 0.000 8.614) 9.861 9.371 ( 1.334 0.000 16.439) 16.493 9.548 ( 1.233 0.000 -1.861) 2.232 9.788 ( -3.463 0.000 -5.403) 6.417 9.969 ( 9.782 0.000 -8.013) 12.645 10.429 ( 5.836 0.000 -13.935) 15.108 10.674 ( 0.322 0.000 14.127) 14.131 10.984 ( 1.482 0.000 -3.588) 3.882 11.213 ( -0.323 0.000 11.237) 11.242 11.692 ( 8.543 0.000 27.736) 29.021 12.055 ( -3.218 0.000 -3.243) 4.569 12.261 ( 6.860 0.000 -3.094) 7.525 12.336 ( -1.288 0.000 0.752) 1.491 12.536 ( 1.218 0.000 -8.059) 8.150 12.922 ( -1.552 0.000 -0.230) 1.569 13.157 ( -0.140 0.000 -4.071) 4.074 13.688 ( -16.090 0.000 2.774) 16.328 13.906 ( 0.912 0.000 3.727) 3.837 14.202 ( -0.832 0.000 -9.775) 9.810 14.381 ( 3.360 0.000 -1.875) 3.848 15.287 ( -1.951 0.000 8.907) 9.118 15.711 ( -2.962 0.000 -5.998) 6.690 15.743 ( 8.304 0.000 -1.940) 8.527 16.000 ( 9.757 0.000 3.133) 10.248 16.917 ( -8.751 0.000 -1.625) 8.900 17.353 ( -2.435 0.000 -14.248) 14.455 17.801 ( 8.457 0.000 17.065) 19.045 18.451 ( -9.637 0.000 4.389) 10.589 18.827 ( 2.951 0.000 -21.103) 21.308 19.358 ( 20.808 0.000 3.511) 21.102 19.896 ( -2.567 0.000 -1.940) 3.217 19.910 ( -3.014 0.000 -0.977) 3.168 20.152 ( 0.235 0.000 13.748) 13.750 20.790 ( -8.258 0.000 -19.069) 20.781 21.611 ( -2.654 0.000 15.562) 15.786 21.927 ( -0.030 0.000 2.144) 2.144 21.980 ( -0.644 0.000 -0.844) 1.062 22.064 ( 1.237 0.000 0.730) 1.436 ======================= Grid point 132 (62/125) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -23.925 0.000 13.819) 27.629 1.336 ( -1.073 0.000 35.526) 35.542 2.043 ( -15.825 0.000 -2.449) 16.014 2.247 ( -14.484 0.000 53.302) 55.235 2.608 ( -0.918 0.000 -0.385) 0.996 2.831 ( -5.004 0.000 -8.137) 9.552 3.152 ( 0.507 0.000 12.234) 12.244 3.187 ( -5.182 0.000 3.057) 6.017 3.293 ( 5.831 0.000 -12.493) 13.787 3.605 ( -3.491 0.000 -10.861) 11.408 3.819 ( 10.955 0.000 -5.743) 12.369 4.083 ( 17.784 0.000 4.811) 18.423 4.474 ( 1.752 0.000 -1.922) 2.600 4.708 ( -3.506 0.000 9.413) 10.045 4.803 ( -4.715 0.000 12.524) 13.382 4.921 ( -2.916 0.000 -1.331) 3.205 5.040 ( 0.941 0.000 -22.318) 22.338 5.080 ( -8.584 0.000 3.781) 9.380 5.081 ( -8.209 0.000 18.447) 20.192 5.251 ( -5.099 0.000 1.407) 5.289 5.549 ( 3.060 0.000 -6.014) 6.748 5.859 ( 0.129 0.000 -3.737) 3.740 6.000 ( -1.242 0.000 -15.545) 15.594 6.123 ( 2.885 0.000 -5.947) 6.610 6.428 ( 6.316 0.000 4.867) 7.973 6.525 ( 4.036 0.000 17.079) 17.549 6.784 ( -5.096 0.000 5.740) 7.675 7.545 ( 8.372 0.000 -19.968) 21.652 7.715 ( -1.406 0.000 -1.155) 1.820 7.883 ( -1.072 0.000 -5.664) 5.764 8.103 ( -2.482 0.000 7.942) 8.321 8.422 ( 0.162 0.000 -2.006) 2.013 8.475 ( 1.241 0.000 -4.633) 4.797 8.922 ( 2.466 0.000 -11.776) 12.031 9.211 ( -3.209 0.000 9.655) 10.174 9.422 ( -3.176 0.000 16.643) 16.944 9.543 ( -0.871 0.000 -2.569) 2.712 9.762 ( 1.907 0.000 -1.772) 2.603 10.107 ( 6.916 0.000 -9.250) 11.550 10.468 ( 3.606 0.000 -14.957) 15.385 10.769 ( 3.883 0.000 12.555) 13.142 11.007 ( 1.764 0.000 -2.647) 3.181 11.224 ( -1.965 0.000 10.051) 10.241 12.007 ( -0.721 0.000 -3.057) 3.141 12.012 ( 13.952 0.000 18.831) 23.436 12.342 ( 3.568 0.000 3.235) 4.816 12.361 ( 3.534 0.000 0.259) 3.544 12.558 ( 3.769 0.000 -4.780) 6.088 12.915 ( 1.878 0.000 -1.959) 2.714 13.148 ( 0.922 0.000 -3.528) 3.647 13.388 ( -14.536 0.000 -0.920) 14.565 13.949 ( -27.195 0.000 -22.455) 35.268 13.966 ( 2.395 0.000 5.735) 6.215 14.314 ( -2.872 0.000 -3.227) 4.320 15.517 ( 15.606 0.000 10.078) 18.577 15.747 ( 11.954 0.000 5.929) 13.343 15.785 ( -1.581 0.000 -1.468) 2.158 16.253 ( 14.500 0.000 1.142) 14.545 16.740 ( -9.155 0.000 -1.755) 9.321 17.031 ( -25.149 0.000 -13.053) 28.334 17.949 ( -0.567 0.000 9.060) 9.078 18.405 ( 3.228 0.000 15.663) 15.992 18.824 ( 4.098 0.000 -20.106) 20.519 19.699 ( 4.632 0.000 -1.468) 4.859 19.831 ( -4.107 0.000 -1.565) 4.395 20.049 ( 27.029 0.000 3.099) 27.206 20.167 ( -3.436 0.000 11.119) 11.638 20.499 ( -14.678 0.000 -25.634) 29.539 21.626 ( -0.523 0.000 11.968) 11.980 21.950 ( 0.584 0.000 7.109) 7.133 21.964 ( -0.494 0.000 -1.451) 1.533 22.088 ( 0.789 0.000 1.534) 1.725 ======================= Grid point 133 (63/125) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 8.420 4.308 21.219) 23.232 1.487 ( -2.802 5.407 29.674) 30.292 1.870 ( -2.176 5.835 -6.570) 9.052 2.575 ( -6.045 9.350 9.172) 14.425 2.641 ( -2.058 18.244 24.380) 30.520 2.719 ( 2.349 -0.314 2.659) 3.562 3.127 ( -2.041 1.295 2.328) 3.356 3.243 ( -0.057 4.026 7.638) 8.635 3.331 ( 2.853 -4.474 -14.181) 15.141 3.520 ( 1.895 -0.261 -5.104) 5.451 4.075 ( 11.113 7.644 -11.555) 17.760 4.312 ( 5.309 -6.869 11.149) 14.130 4.488 ( -0.570 -8.332 4.866) 9.666 4.568 ( -8.148 -1.051 1.097) 8.288 4.647 ( -5.104 -10.261 7.428) 13.657 4.847 ( 0.989 -3.477 11.627) 12.176 4.950 ( -2.821 0.800 0.032) 2.932 5.004 ( -6.973 12.292 -7.765) 16.125 5.105 ( -3.758 0.285 -0.764) 3.845 5.189 ( 6.120 -0.145 -2.054) 6.457 5.516 ( -0.397 -1.444 -2.585) 2.988 5.862 ( -2.492 -0.814 -10.808) 11.121 5.954 ( -1.744 7.600 -2.807) 8.287 6.269 ( 9.624 0.616 -6.033) 11.375 6.445 ( 3.080 -6.150 8.686) 11.079 6.709 ( -0.209 3.993 9.832) 10.614 6.777 ( -1.426 4.137 5.668) 7.161 7.531 ( -0.974 -12.331 -1.194) 12.427 7.675 ( 7.147 -0.279 -16.256) 17.760 7.786 ( 2.868 -6.282 -9.660) 11.874 8.161 ( -2.404 8.228 5.220) 10.037 8.499 ( -1.091 4.073 -3.388) 5.409 8.554 ( -0.483 11.280 -3.106) 11.710 8.953 ( -1.136 6.793 -12.000) 13.836 9.233 ( -2.540 2.917 9.832) 10.565 9.403 ( -5.245 1.851 9.091) 10.658 9.555 ( -1.593 3.150 4.567) 5.772 9.819 ( 6.733 -2.574 -2.622) 7.670 10.003 ( 0.279 -8.890 -4.104) 9.796 10.411 ( 0.212 -4.696 -13.988) 14.757 10.909 ( -0.362 5.664 10.803) 12.203 11.154 ( -4.030 7.809 2.639) 9.176 11.292 ( 1.319 8.695 6.562) 10.973 11.966 ( -1.089 -4.167 2.274) 4.871 12.146 ( -6.835 0.947 4.184) 8.070 12.228 ( 6.794 -13.617 4.885) 15.982 12.474 ( 5.942 -2.513 -1.205) 6.563 12.589 ( -10.463 -6.072 -1.692) 12.215 12.844 ( 5.256 1.685 9.050) 10.601 13.146 ( 4.066 -3.283 -0.778) 5.283 13.174 ( -3.749 -0.271 -3.544) 5.166 13.358 ( -11.777 4.452 -4.715) 13.444 14.231 ( 2.753 5.330 -3.493) 6.942 14.327 ( -7.338 12.513 -7.677) 16.412 15.670 ( -1.806 -4.661 -1.223) 5.146 15.706 ( 9.824 -1.808 -1.455) 10.094 16.228 ( 18.229 2.687 4.722) 19.022 16.456 ( -21.386 0.959 3.644) 21.716 16.508 ( -0.129 4.148 -1.709) 4.488 16.704 ( 0.069 4.995 -1.180) 5.133 17.898 ( -7.671 3.348 6.815) 10.793 18.569 ( 7.616 -3.478 13.090) 15.538 18.882 ( 5.142 3.231 -14.393) 15.622 19.591 ( -1.577 -11.145 -5.142) 12.375 19.721 ( -0.108 -0.176 -1.354) 1.370 20.067 ( -5.801 -1.898 2.550) 6.615 20.156 ( -11.654 1.686 -12.192) 16.950 20.546 ( 21.307 -5.697 -9.453) 23.996 21.658 ( 0.786 -1.101 8.651) 8.756 21.865 ( -3.471 -4.415 12.047) 13.292 21.959 ( 0.160 0.094 -0.726) 0.750 22.230 ( 0.680 5.830 -4.439) 7.359 ======================= Grid point 134 (64/125) ======================= q-point: ( 0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 22.430 2.306 13.975) 26.528 1.514 ( 2.486 5.361 19.818) 20.680 1.967 ( 10.670 6.503 6.842) 14.246 2.508 ( -2.311 4.264 1.164) 4.988 2.635 ( -1.549 6.075 2.504) 6.751 2.865 ( 5.066 7.251 22.968) 24.612 3.128 ( 2.331 -2.545 -4.825) 5.933 3.272 ( -3.750 6.903 22.460) 23.794 3.300 ( 2.429 -1.924 -16.064) 16.360 3.608 ( 6.764 -5.391 -7.676) 11.565 4.141 ( -8.357 4.356 -7.017) 11.749 4.240 ( -1.902 2.689 -4.342) 5.450 4.460 ( -3.724 -8.735 1.786) 9.663 4.498 ( -2.696 -4.924 7.706) 9.534 4.613 ( -2.050 -12.927 7.490) 15.081 4.792 ( -3.718 11.674 -13.146) 17.970 4.855 ( -1.604 -7.115 11.844) 13.910 4.983 ( -5.130 3.213 7.019) 9.268 5.187 ( 9.666 9.745 1.966) 13.866 5.276 ( 3.985 0.152 -3.254) 5.147 5.528 ( 2.883 -1.342 0.343) 3.199 5.775 ( -3.156 3.563 -9.895) 10.980 5.947 ( 2.668 4.070 -5.786) 7.561 6.417 ( 6.493 -2.429 -4.690) 8.370 6.484 ( 0.511 -5.497 4.361) 7.035 6.696 ( -4.791 3.790 9.582) 11.364 6.808 ( 2.585 3.945 2.952) 5.565 7.538 ( 2.463 -12.864 -1.603) 13.196 7.716 ( 2.090 -5.353 -10.543) 12.008 7.836 ( 5.797 -1.950 -13.059) 14.420 8.143 ( -1.200 8.076 5.075) 9.613 8.442 ( -2.995 3.394 -3.477) 5.708 8.526 ( -2.417 11.662 -2.613) 12.193 8.874 ( -1.634 8.423 -12.990) 15.568 9.177 ( -7.313 3.458 13.623) 15.844 9.372 ( -0.662 0.023 7.172) 7.203 9.547 ( -1.072 3.518 5.424) 6.553 9.933 ( 0.809 -11.046 -5.662) 12.439 9.980 ( 4.286 1.268 -2.516) 5.129 10.345 ( -2.550 -5.105 -12.522) 13.761 10.899 ( -3.632 5.773 7.863) 10.409 11.072 ( -6.526 3.336 9.999) 12.397 11.318 ( -1.084 12.482 4.715) 13.387 11.810 ( -19.312 -3.737 18.311) 26.874 12.034 ( -0.648 1.473 -4.813) 5.075 12.277 ( 0.039 -6.448 1.380) 6.594 12.451 ( -3.031 -1.593 -2.463) 4.218 12.576 ( 2.016 -1.763 0.660) 2.759 12.878 ( 0.799 -4.656 -0.205) 4.728 13.172 ( -0.841 5.303 -4.711) 7.143 13.290 ( 10.952 -4.200 1.712) 11.854 13.347 ( 11.267 5.236 1.586) 12.525 14.195 ( -3.579 9.952 -3.129) 11.029 14.302 ( 3.909 2.578 -1.080) 4.805 15.642 ( 0.160 -2.602 -2.136) 3.370 15.881 ( 6.328 -5.103 -4.366) 9.227 16.120 ( -11.403 4.823 9.291) 15.479 16.245 ( -15.494 5.278 -2.650) 16.581 16.516 ( 4.789 -2.306 -2.083) 5.709 16.883 ( 11.834 3.205 -0.080) 12.260 17.770 ( -8.434 6.046 9.434) 14.025 18.737 ( 6.525 -5.779 3.261) 9.306 18.940 ( 4.459 3.121 -3.667) 6.563 19.469 ( -8.320 -4.942 -12.258) 15.618 19.721 ( 0.234 -1.317 -0.871) 1.596 19.970 ( -5.730 0.977 -3.542) 6.807 20.001 ( 0.584 0.738 -2.511) 2.681 20.827 ( 11.918 -7.934 -9.690) 17.289 21.703 ( 0.410 -0.997 8.099) 8.170 21.832 ( -3.987 -5.932 11.681) 13.694 21.965 ( 0.878 0.170 -1.098) 1.416 22.194 ( -2.579 4.697 -3.370) 6.330 ======================= Grid point 135 (65/125) ======================= q-point: ( 0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -0.925 13.573 12.546) 18.506 2.012 ( 24.339 3.165 15.328) 28.937 2.220 ( 10.186 0.865 14.082) 17.401 2.494 ( 0.737 3.181 -2.177) 3.924 2.626 ( 0.550 1.143 3.423) 3.650 2.972 ( -0.806 -1.855 7.857) 8.113 3.167 ( 2.780 -4.925 -3.927) 6.885 3.262 ( 0.607 -4.337 -12.881) 13.605 3.337 ( -0.352 9.260 27.646) 29.157 3.650 ( 0.306 -6.538 -6.740) 9.395 3.908 ( -9.953 7.479 -4.634) 13.284 4.225 ( 1.761 5.320 -9.300) 10.858 4.353 ( -10.438 1.299 -3.133) 10.975 4.461 ( -0.359 -11.912 7.033) 13.838 4.616 ( 0.467 -6.534 8.235) 10.523 4.757 ( 1.728 1.634 -7.799) 8.153 4.905 ( -1.563 10.380 5.617) 11.905 4.911 ( -0.817 -5.504 13.905) 14.977 5.288 ( 3.687 2.388 -6.648) 7.968 5.348 ( 2.233 8.325 4.657) 9.797 5.607 ( 3.506 -1.379 1.898) 4.218 5.705 ( 0.006 3.502 -9.084) 9.735 5.994 ( 3.834 4.838 -5.518) 8.280 6.415 ( -4.042 -6.796 3.557) 8.670 6.558 ( 4.925 -2.702 -7.424) 9.310 6.613 ( -6.673 4.516 7.823) 11.230 6.864 ( 2.548 4.426 0.923) 5.190 7.607 ( 4.667 -12.219 -0.760) 13.102 7.701 ( 0.318 -5.270 -8.637) 10.123 7.868 ( 1.475 -3.360 -11.853) 12.408 8.156 ( 0.880 8.150 3.409) 8.878 8.384 ( -1.951 1.992 -2.174) 3.536 8.442 ( -4.278 12.029 -3.070) 13.131 8.838 ( 1.759 8.909 -9.865) 13.408 9.104 ( -5.271 3.380 17.005) 18.121 9.397 ( 0.775 -1.374 3.665) 3.990 9.553 ( 0.083 2.788 4.612) 5.390 9.833 ( -6.349 -9.050 -3.626) 11.634 10.116 ( 8.252 1.611 -7.449) 11.233 10.234 ( -4.580 -4.091 -10.160) 11.871 10.837 ( -5.548 4.250 4.869) 8.518 11.008 ( -4.665 1.006 19.646) 20.218 11.274 ( -4.317 14.806 0.448) 15.429 11.584 ( -10.771 0.370 21.468) 24.021 12.032 ( 2.186 1.137 -7.387) 7.787 12.282 ( -0.212 -4.642 0.777) 4.711 12.388 ( -3.043 -1.493 -5.460) 6.427 12.578 ( 0.070 0.545 -2.004) 2.078 12.918 ( 2.860 -6.727 -0.149) 7.311 13.149 ( 0.188 3.661 -6.460) 7.428 13.522 ( 10.515 -3.473 4.787) 12.064 13.593 ( 13.214 3.447 6.117) 14.964 14.145 ( -0.905 1.752 -2.245) 2.988 14.391 ( 5.606 7.897 -0.184) 9.686 15.665 ( 0.758 0.021 -1.756) 1.913 15.734 ( -12.141 -4.692 -2.630) 13.279 15.923 ( -15.158 7.283 1.587) 16.891 16.191 ( 5.796 -2.730 -9.825) 11.730 16.549 ( 2.686 -2.618 7.014) 7.954 17.070 ( 7.778 2.705 0.092) 8.235 17.666 ( -6.340 8.741 13.089) 16.968 18.819 ( 4.127 -2.725 -10.883) 11.954 18.997 ( -0.823 -0.126 6.401) 6.455 19.266 ( -6.799 -0.883 -16.589) 17.950 19.709 ( -0.131 -0.133 0.183) 0.261 19.917 ( 0.396 -2.821 -0.958) 3.006 20.049 ( 3.676 1.842 -0.848) 4.198 20.944 ( 4.690 -6.734 -9.043) 12.211 21.702 ( -4.578 1.026 14.611) 15.346 21.821 ( -0.132 -7.598 4.850) 9.015 21.985 ( 1.754 0.495 -1.615) 2.435 22.131 ( -2.943 3.085 -2.173) 4.785 ======================= Grid point 136 (66/125) ======================= q-point: ( 0.43 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -1.203 17.786 14.221) 22.804 2.214 ( -8.358 8.593 10.444) 15.899 2.440 ( 4.602 -2.846 12.907) 13.995 2.565 ( 7.813 3.953 8.482) 12.191 2.733 ( 6.521 -8.770 1.841) 11.083 2.918 ( -2.020 -4.317 7.349) 8.759 3.158 ( -2.041 1.770 -1.886) 3.295 3.245 ( 4.021 -8.783 -11.710) 15.181 3.417 ( -1.685 -0.072 10.095) 10.235 3.649 ( 2.599 1.222 0.091) 2.873 3.699 ( -11.317 10.603 -6.311) 16.743 4.075 ( -15.872 6.710 -4.731) 17.870 4.316 ( 9.469 4.947 -5.931) 12.220 4.526 ( 2.668 -11.607 9.694) 15.356 4.672 ( 2.531 -5.019 3.987) 6.892 4.751 ( -0.055 -0.284 -1.083) 1.121 4.903 ( -1.079 -2.174 22.128) 22.261 4.997 ( 6.524 6.667 -9.290) 13.165 5.313 ( -0.282 1.606 -2.112) 2.668 5.394 ( 2.608 4.360 3.889) 6.398 5.621 ( -1.214 0.914 -3.432) 3.753 5.722 ( 2.984 2.876 -4.037) 5.786 6.038 ( 2.299 6.542 -2.827) 7.488 6.328 ( -5.796 -5.573 1.745) 8.228 6.505 ( -6.133 4.499 4.986) 9.095 6.584 ( -0.367 -0.698 -6.982) 7.026 6.908 ( 1.782 3.663 0.181) 4.078 7.657 ( 1.001 -3.585 -3.733) 5.271 7.706 ( 2.176 -12.375 -2.684) 12.848 7.806 ( -2.483 -2.369 -15.550) 15.924 8.190 ( 1.089 8.016 6.127) 10.148 8.357 ( -0.451 0.901 -0.973) 1.401 8.408 ( 2.186 11.532 -1.784) 11.872 8.848 ( 1.907 7.640 -6.869) 10.450 9.111 ( -0.062 2.561 17.368) 17.556 9.414 ( -0.083 -1.863 0.822) 2.037 9.581 ( 1.098 3.143 2.390) 4.098 9.715 ( -3.976 -8.761 -1.656) 9.763 10.067 ( -6.381 -1.921 -11.127) 12.970 10.266 ( 7.845 1.467 -9.146) 12.139 10.738 ( -6.899 1.756 10.008) 12.282 11.044 ( 1.060 1.546 17.889) 17.987 11.195 ( -3.233 13.089 -1.388) 13.553 11.518 ( -4.923 1.346 19.353) 20.014 12.068 ( 4.362 0.920 -7.078) 8.365 12.235 ( -4.552 -3.023 -3.960) 6.748 12.339 ( -0.204 -2.389 -1.432) 2.793 12.579 ( 0.919 1.037 -4.776) 4.973 12.956 ( 0.566 -4.267 0.528) 4.337 13.129 ( 0.107 -0.478 -5.749) 5.769 13.672 ( 3.980 -0.787 7.231) 8.291 13.876 ( 12.894 -0.849 8.537) 15.487 14.134 ( 0.755 0.470 -3.263) 3.382 14.465 ( 0.650 9.995 -1.797) 10.176 15.468 ( -7.105 -0.026 -1.822) 7.335 15.681 ( -10.065 0.742 -0.416) 10.100 15.775 ( 4.325 2.017 -0.266) 4.779 16.087 ( -8.637 -1.552 -14.443) 16.900 16.765 ( 13.569 -7.038 10.687) 18.651 17.164 ( 2.350 3.021 -0.261) 3.836 17.645 ( -0.648 10.703 16.080) 19.327 18.838 ( 1.614 -0.945 -11.141) 11.297 18.904 ( -8.321 0.561 -2.665) 8.755 19.127 ( -1.986 -0.123 -16.758) 16.876 19.776 ( 6.016 -0.637 4.774) 7.707 19.928 ( 0.184 -4.089 -0.864) 4.184 20.101 ( 1.379 1.892 1.965) 3.057 20.956 ( 0.308 -6.130 -10.052) 11.777 21.659 ( -5.268 0.996 16.872) 17.703 21.839 ( 0.317 -6.279 2.710) 6.846 22.018 ( 2.422 1.223 -2.041) 3.395 22.075 ( -2.360 1.644 -1.476) 3.233 ======================= Grid point 137 (67/125) ======================= q-point: (-0.43 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -5.620 18.225 16.665) 25.327 1.996 ( -17.081 9.607 6.665) 20.700 2.382 ( -11.605 -10.259 13.650) 20.646 2.668 ( -1.539 -2.037 4.216) 4.929 2.782 ( 1.482 5.315 11.690) 12.927 3.033 ( 1.332 2.864 4.431) 5.442 3.208 ( 6.933 -7.609 4.964) 11.428 3.261 ( -3.745 1.293 -0.659) 4.016 3.367 ( -1.005 4.043 -3.563) 5.482 3.463 ( -5.496 3.395 -5.716) 8.626 3.733 ( 2.917 7.057 1.874) 7.863 3.793 ( -8.746 5.979 -10.132) 14.659 4.485 ( 8.791 1.846 -6.751) 11.237 4.583 ( 0.403 -10.491 7.541) 12.926 4.654 ( -3.129 -5.437 2.136) 6.627 4.810 ( 2.662 -3.875 3.764) 6.022 5.001 ( 2.426 -1.674 17.732) 17.976 5.085 ( 6.599 2.875 -7.799) 10.613 5.279 ( -2.423 -1.019 0.436) 2.664 5.459 ( 2.454 1.662 2.677) 3.994 5.551 ( -4.973 2.761 -2.857) 6.366 5.776 ( 4.883 3.819 -5.394) 8.217 6.064 ( 1.277 7.601 -0.266) 7.713 6.232 ( -4.328 -3.307 0.134) 5.448 6.399 ( -6.857 -0.143 -2.329) 7.244 6.539 ( -1.468 5.609 1.419) 5.969 6.921 ( -0.838 2.796 1.120) 3.126 7.628 ( -2.004 2.918 -12.937) 13.412 7.713 ( 1.001 -11.525 -0.735) 11.592 7.734 ( -0.682 -6.307 -9.787) 11.664 8.232 ( 0.144 9.223 7.773) 12.062 8.368 ( 2.628 0.046 -1.337) 2.949 8.480 ( 4.759 9.929 -1.282) 11.085 8.865 ( 2.556 5.216 -5.185) 7.786 9.213 ( 4.332 1.357 16.290) 16.911 9.382 ( -3.626 -1.552 0.477) 3.973 9.586 ( -0.544 4.665 2.276) 5.219 9.728 ( 5.250 -8.866 -1.825) 10.464 9.911 ( -5.963 -0.679 -10.204) 11.838 10.367 ( 6.794 0.840 -12.667) 14.398 10.675 ( -3.746 1.761 14.370) 14.954 11.117 ( 1.630 8.238 -0.873) 8.443 11.180 ( 1.289 5.837 11.731) 13.166 11.520 ( -1.639 -0.562 20.378) 20.451 12.124 ( -3.960 -0.855 -1.493) 4.317 12.146 ( 4.873 -1.523 -8.514) 9.927 12.343 ( 0.279 -0.656 1.472) 1.636 12.574 ( 0.698 1.131 -6.957) 7.083 12.935 ( -2.735 -1.965 0.020) 3.367 13.120 ( 0.627 -3.971 -4.407) 5.965 13.738 ( 0.643 -2.713 8.032) 8.502 13.954 ( -8.352 -6.097 2.098) 10.552 14.226 ( 5.404 6.447 0.781) 8.448 14.433 ( 4.195 11.428 -2.683) 12.465 15.413 ( -8.723 -2.174 -0.104) 8.991 15.550 ( 5.020 0.174 -3.639) 6.203 15.867 ( 2.018 3.803 -3.758) 5.715 15.903 ( -2.396 1.715 -2.972) 4.185 16.990 ( 4.282 -7.531 4.066) 9.570 17.187 ( 2.452 -1.259 -0.106) 2.759 17.747 ( 4.987 10.802 14.904) 19.071 18.676 ( -11.768 1.141 -0.136) 11.824 18.858 ( 3.184 1.213 -19.851) 20.142 19.103 ( 5.555 -0.949 -9.454) 11.006 19.887 ( -0.501 -2.263 0.041) 2.318 19.926 ( 3.381 -2.357 2.211) 4.678 20.116 ( -0.858 1.009 6.419) 6.554 20.889 ( -3.338 -6.022 -13.110) 14.808 21.628 ( -4.000 0.903 16.299) 16.807 21.849 ( -0.281 -4.838 4.028) 6.302 22.026 ( -1.544 1.177 -2.456) 3.131 22.067 ( 2.786 1.839 -0.974) 3.477 ======================= Grid point 138 (68/125) ======================= q-point: (-0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -10.136 13.856 19.504) 25.984 1.615 ( -24.685 6.689 7.593) 26.678 2.224 ( -10.005 -0.604 14.043) 17.253 2.644 ( -1.844 0.531 2.113) 2.854 2.734 ( -11.390 7.662 15.370) 20.608 2.956 ( -10.624 12.211 4.103) 16.698 3.156 ( -2.667 2.145 13.528) 13.955 3.244 ( 0.611 -2.983 -4.228) 5.210 3.340 ( -2.487 4.239 -8.027) 9.412 3.607 ( 12.177 1.613 -0.423) 12.291 3.708 ( 1.708 1.862 -10.230) 10.537 3.811 ( 8.081 2.235 1.030) 8.447 4.495 ( -2.104 -1.081 -8.322) 8.652 4.611 ( 0.496 -9.327 3.904) 10.124 4.682 ( 1.642 -7.546 8.173) 11.245 4.838 ( -0.579 -7.159 7.748) 10.565 5.046 ( 0.323 0.726 0.795) 1.124 5.156 ( -0.762 0.407 1.435) 1.675 5.238 ( -2.000 -3.100 0.435) 3.714 5.422 ( -7.508 7.623 -3.921) 11.395 5.506 ( 1.505 -0.106 2.135) 2.615 5.875 ( 7.564 4.780 -6.157) 10.862 6.069 ( -1.069 4.987 -4.806) 7.008 6.199 ( 0.864 -2.879 1.979) 3.599 6.237 ( -7.233 -2.641 -2.711) 8.164 6.570 ( 2.397 8.901 8.533) 12.561 6.883 ( -3.889 2.701 3.585) 5.939 7.560 ( 1.004 3.237 -15.187) 15.561 7.669 ( -2.649 -6.564 -7.341) 10.198 7.749 ( 2.384 -11.689 -2.166) 12.125 8.230 ( -2.378 8.883 4.954) 10.445 8.439 ( 4.563 1.274 -2.324) 5.277 8.546 ( 2.585 10.233 -1.001) 10.602 8.917 ( 4.728 3.888 -5.964) 8.547 9.302 ( -4.895 2.621 7.195) 9.088 9.356 ( 4.324 -1.344 11.103) 11.991 9.588 ( -0.410 3.058 1.291) 3.344 9.786 ( -3.260 -0.216 -3.377) 4.699 9.857 ( 7.906 -8.172 -6.921) 13.310 10.427 ( 4.444 -1.153 -14.699) 15.399 10.709 ( 1.960 3.827 16.016) 16.583 11.139 ( 2.864 12.505 -5.350) 13.900 11.247 ( 0.085 3.566 10.221) 10.825 11.628 ( 5.895 -5.430 24.679) 25.948 12.041 ( -2.722 -1.587 -3.781) 4.922 12.218 ( 2.722 -2.010 -1.465) 3.687 12.368 ( 2.116 2.124 2.417) 3.851 12.571 ( 2.333 1.680 -7.196) 7.749 12.867 ( -4.236 -3.559 -0.802) 5.591 13.114 ( 0.212 -4.063 -3.844) 5.597 13.689 ( -15.606 0.029 2.139) 15.752 13.757 ( -4.285 -8.533 4.796) 10.685 14.216 ( -0.876 0.945 -5.755) 5.898 14.638 ( 9.372 18.093 -7.395) 21.677 15.253 ( -2.196 -3.283 6.761) 7.830 15.655 ( 3.140 -3.276 -4.155) 6.153 15.817 ( 0.553 4.443 -0.880) 4.563 16.051 ( 11.852 5.623 3.061) 13.470 16.935 ( -7.544 0.909 -1.102) 7.678 17.227 ( -1.909 -9.355 -5.585) 11.062 17.884 ( 4.224 6.501 12.654) 14.840 18.485 ( -8.049 3.055 0.610) 8.631 18.842 ( 2.955 1.343 -20.029) 20.290 19.298 ( 15.963 -5.184 1.149) 16.823 19.820 ( -4.191 -2.886 -2.142) 5.521 19.987 ( 2.548 2.574 -1.984) 4.130 20.133 ( -0.709 -1.701 11.604) 11.749 20.737 ( -7.666 -5.250 -17.488) 19.803 21.618 ( -2.669 0.675 14.310) 14.572 21.860 ( -0.553 -3.693 7.246) 8.152 21.991 ( -1.353 0.387 -1.932) 2.391 22.126 ( 3.917 3.672 -1.762) 5.651 ======================= Grid point 139 (69/125) ======================= q-point: (-0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -23.720 6.814 12.509) 27.668 1.441 ( -4.842 9.153 29.325) 31.100 2.047 ( -11.733 3.427 -1.879) 12.366 2.594 ( -7.473 20.090 33.824) 40.044 2.633 ( -2.818 5.356 5.967) 8.499 2.785 ( -6.402 0.259 -6.209) 8.922 3.171 ( -2.271 1.441 7.619) 8.080 3.229 ( -2.262 4.314 6.638) 8.233 3.297 ( 3.382 -0.085 -12.500) 12.950 3.594 ( -4.818 0.242 -8.496) 9.770 3.874 ( 13.275 4.670 -6.455) 15.482 4.066 ( 14.755 -1.801 6.783) 16.339 4.464 ( 1.073 -5.745 -1.887) 6.142 4.623 ( 0.067 -3.575 1.561) 3.901 4.700 ( -2.951 -7.125 12.247) 14.473 4.836 ( -3.772 -8.495 10.331) 13.897 5.060 ( -8.511 -0.606 3.746) 9.319 5.081 ( 4.793 2.173 -5.159) 7.369 5.188 ( -3.654 -3.490 -1.552) 5.286 5.234 ( -10.175 10.693 -8.116) 16.845 5.526 ( 0.303 -0.942 -0.614) 1.165 5.970 ( -4.135 -3.014 -11.769) 12.833 5.975 ( 1.602 7.241 -1.968) 7.672 6.151 ( 2.913 3.414 -5.117) 6.807 6.316 ( 6.318 -5.165 9.123) 12.240 6.654 ( 2.427 6.600 10.007) 12.231 6.816 ( -4.489 3.169 5.820) 8.004 7.559 ( 0.450 -7.044 -3.599) 7.923 7.614 ( 3.100 0.425 -17.271) 17.553 7.775 ( 1.689 -10.547 -5.336) 11.940 8.194 ( -2.825 8.544 4.355) 9.997 8.495 ( 2.330 3.362 -3.215) 5.202 8.569 ( 0.502 10.462 -2.644) 10.803 8.972 ( 3.027 4.900 -8.934) 10.630 9.247 ( -3.420 3.278 9.493) 10.609 9.436 ( -0.315 0.488 9.093) 9.111 9.574 ( -1.474 2.479 1.878) 3.441 9.750 ( 1.103 -1.074 -2.060) 2.572 9.969 ( 5.162 -9.302 -5.127) 11.810 10.437 ( 2.167 -3.304 -14.709) 15.230 10.830 ( 4.044 5.463 14.158) 15.705 11.179 ( 2.094 13.371 -4.005) 14.114 11.258 ( -1.200 3.588 8.757) 9.539 11.888 ( 10.536 -10.351 19.944) 24.817 12.017 ( 3.266 -1.093 -1.721) 3.850 12.223 ( -1.724 -3.073 1.097) 3.690 12.418 ( 2.143 1.198 -0.994) 2.649 12.651 ( 7.637 5.964 -0.287) 9.694 12.772 ( -5.532 -9.359 -0.860) 10.906 13.110 ( 0.942 -3.571 -3.092) 4.817 13.388 ( -14.956 0.137 -1.416) 15.023 13.632 ( -12.355 -9.044 1.736) 15.410 14.202 ( 1.457 0.701 -5.023) 5.277 14.547 ( -9.805 19.372 -17.587) 27.941 15.482 ( 15.726 -3.522 9.282) 18.598 15.681 ( 1.634 -3.524 -1.664) 4.225 15.886 ( 8.853 6.836 6.060) 12.721 16.311 ( 14.095 5.518 0.842) 15.160 16.760 ( -10.737 1.630 -1.305) 10.938 16.992 ( -19.271 -3.036 -7.918) 21.054 17.967 ( -1.061 1.912 9.100) 9.359 18.426 ( 1.362 1.886 9.020) 9.315 18.846 ( 4.484 2.033 -18.220) 18.874 19.566 ( 7.556 -13.004 0.292) 15.043 19.746 ( -2.312 -1.201 -2.563) 3.655 20.121 ( 9.888 0.880 1.769) 10.084 20.143 ( 3.041 -1.003 6.526) 7.270 20.487 ( -11.458 -1.883 -21.165) 24.141 21.626 ( -1.089 0.062 11.525) 11.577 21.873 ( -1.524 -3.610 10.537) 11.242 21.966 ( -0.605 0.140 -1.508) 1.631 22.195 ( 4.004 5.491 -3.180) 7.503 ======================= Grid point 140 (70/125) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 2.953 18.483 12.422) 22.464 1.703 ( -3.316 15.011 11.848) 19.408 2.001 ( 1.511 6.846 -3.442) 7.810 2.522 ( -1.441 -4.277 0.410) 4.531 2.675 ( 0.203 -2.558 -7.798) 8.209 3.091 ( -2.485 -3.990 -13.226) 14.036 3.165 ( -3.236 7.453 7.267) 10.901 3.330 ( -1.931 11.784 11.107) 16.308 3.497 ( -1.822 19.637 20.565) 28.493 3.551 ( 0.197 8.305 2.044) 8.555 4.109 ( 4.467 -12.856 9.999) 16.888 4.197 ( 7.865 -2.418 -1.072) 8.298 4.373 ( -3.403 -4.008 -0.064) 5.258 4.422 ( 4.624 -3.655 -1.481) 6.078 4.492 ( -8.114 -5.008 4.273) 10.449 4.713 ( -8.362 -8.054 8.978) 14.677 4.991 ( 3.383 1.801 -0.930) 3.944 5.088 ( 4.212 -2.891 1.031) 5.212 5.152 ( -2.431 -0.720 1.874) 3.153 5.307 ( -0.646 13.566 -10.784) 17.342 5.517 ( -1.386 1.048 1.832) 2.525 5.827 ( 1.100 -1.037 -7.862) 8.006 6.088 ( -4.456 4.098 3.221) 6.857 6.296 ( 7.206 2.443 -5.106) 9.163 6.363 ( 1.806 -1.948 4.285) 5.041 6.757 ( 0.416 0.530 7.262) 7.293 6.831 ( -2.737 -0.207 5.823) 6.438 7.325 ( -0.644 -6.420 -1.179) 6.559 7.513 ( 1.745 -13.686 -8.242) 16.072 7.719 ( 5.528 -1.876 -11.569) 12.958 8.372 ( -1.702 11.651 0.291) 11.778 8.589 ( -0.228 4.894 -3.063) 5.778 8.791 ( -0.072 11.031 -4.738) 12.006 9.120 ( -0.601 9.124 -8.696) 12.618 9.289 ( -2.224 0.494 8.161) 8.473 9.425 ( -2.306 0.858 4.081) 4.765 9.622 ( -1.632 3.516 8.453) 9.300 9.712 ( 1.194 -4.379 -3.989) 6.042 9.953 ( 4.683 1.712 -0.498) 5.011 10.282 ( -1.514 -7.908 -11.738) 14.234 11.038 ( -0.867 6.311 14.286) 15.642 11.295 ( -7.151 7.411 8.438) 13.314 11.473 ( 2.156 5.972 7.929) 10.158 11.850 ( 1.400 -3.938 4.675) 6.270 12.026 ( 4.042 -4.888 -5.388) 8.322 12.217 ( -1.543 3.764 5.506) 6.846 12.399 ( -1.436 -5.088 -1.658) 5.540 12.531 ( -1.733 -0.469 -3.292) 3.750 12.919 ( 1.392 3.871 5.486) 6.857 13.076 ( 3.317 -2.324 0.932) 4.156 13.174 ( -2.365 0.352 -2.808) 3.689 13.387 ( -4.583 -0.318 -2.152) 5.073 14.239 ( 3.622 0.697 2.176) 4.283 14.633 ( -7.714 12.930 -14.954) 21.220 15.524 ( 1.753 -9.608 0.274) 9.771 15.638 ( 6.046 -5.207 -2.090) 8.249 16.309 ( 10.913 5.244 6.501) 13.742 16.495 ( -15.619 3.002 5.868) 16.953 16.635 ( -1.215 7.317 -2.883) 7.958 16.796 ( 0.013 3.867 -2.230) 4.464 17.993 ( -4.192 6.174 5.980) 9.563 18.519 ( 4.953 -1.216 3.751) 6.331 18.941 ( 4.924 2.585 -11.654) 12.913 19.375 ( 1.889 -9.297 -7.276) 11.956 19.725 ( 0.640 0.220 -1.750) 1.876 20.022 ( -4.154 -2.538 2.178) 5.333 20.146 ( -7.583 -2.530 -9.104) 12.116 20.402 ( 12.701 -8.226 -8.654) 17.433 21.644 ( -0.720 -0.021 9.421) 9.448 21.815 ( -3.508 -1.476 11.459) 12.075 21.967 ( 0.092 0.861 -0.117) 0.874 22.281 ( 0.593 -0.396 -5.169) 5.218 ======================= Grid point 141 (71/125) ======================= q-point: ( 0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 22.411 8.572 11.924) 26.794 1.703 ( 0.958 13.118 6.087) 14.493 2.126 ( 9.706 7.604 4.318) 13.064 2.505 ( -0.561 -0.547 0.659) 1.024 2.672 ( 2.380 -3.879 -7.844) 9.069 3.007 ( -0.546 -6.124 -16.286) 17.408 3.098 ( -7.858 10.393 13.870) 19.030 3.340 ( -0.554 5.891 2.465) 6.410 3.494 ( -0.012 -0.178 1.305) 1.317 3.617 ( -1.885 20.019 25.308) 32.323 4.159 ( -2.451 -9.535 9.331) 13.565 4.219 ( -8.547 -7.430 1.292) 11.398 4.287 ( 1.953 -2.357 -5.816) 6.573 4.398 ( -1.679 -4.751 3.099) 5.916 4.490 ( 2.110 4.978 -6.919) 8.781 4.676 ( -0.604 -9.688 14.797) 17.697 4.994 ( -2.272 5.285 -4.301) 7.182 5.070 ( -1.442 5.650 4.661) 7.465 5.253 ( 8.064 -2.950 0.081) 8.587 5.354 ( 5.110 7.642 -2.708) 9.584 5.522 ( 2.418 1.778 0.792) 3.104 5.834 ( 2.157 2.017 -11.045) 11.433 6.026 ( -1.724 3.071 1.417) 3.797 6.352 ( -1.433 -3.303 1.139) 3.776 6.426 ( 5.796 -0.304 -4.291) 7.218 6.753 ( -4.402 0.410 12.955) 13.689 6.853 ( 3.383 0.421 -0.070) 3.410 7.335 ( 2.019 -5.609 -1.241) 6.089 7.525 ( 2.463 -13.049 -7.874) 15.438 7.777 ( 3.936 -3.701 -8.285) 9.891 8.348 ( -0.534 11.293 -1.081) 11.357 8.543 ( -3.011 6.293 -3.656) 7.877 8.758 ( -2.618 10.413 -4.206) 11.532 9.052 ( -1.893 8.408 -10.632) 13.686 9.243 ( -5.878 1.508 12.483) 13.879 9.404 ( -0.984 2.976 4.027) 5.103 9.600 ( -3.508 2.279 5.470) 6.886 9.735 ( 1.081 -6.676 -1.211) 6.870 10.041 ( 5.750 3.628 -2.649) 7.297 10.203 ( -2.866 -8.464 -10.237) 13.588 11.032 ( -3.955 6.630 12.476) 14.672 11.167 ( -10.057 6.222 12.027) 16.867 11.535 ( 1.032 6.791 9.660) 11.853 11.784 ( -8.644 2.173 1.578) 9.052 12.038 ( 0.944 -1.364 -7.664) 7.841 12.215 ( -0.715 0.565 4.254) 4.350 12.359 ( -1.513 -6.887 -1.586) 7.227 12.571 ( 3.797 0.961 0.333) 3.931 12.811 ( -6.926 -1.916 -0.970) 7.251 13.191 ( 7.686 -4.678 1.254) 9.085 13.232 ( 2.502 1.526 -1.511) 3.297 13.444 ( 11.616 3.637 1.681) 12.288 14.315 ( 1.674 4.134 0.359) 4.475 14.484 ( -1.785 12.586 -8.390) 15.231 15.537 ( 1.001 -8.110 -0.579) 8.192 15.732 ( 2.875 -9.600 -5.468) 11.416 16.249 ( -10.508 7.459 8.105) 15.224 16.369 ( -11.005 6.380 0.809) 12.746 16.508 ( -1.804 2.155 1.174) 3.046 16.936 ( 9.405 1.598 -0.273) 9.543 17.940 ( -3.316 10.607 5.820) 12.545 18.644 ( 6.879 -3.172 0.996) 7.641 18.988 ( 3.638 1.941 -8.527) 9.472 19.352 ( -1.357 -5.810 -12.210) 13.589 19.723 ( -0.894 1.033 -0.019) 1.366 19.945 ( -5.839 -2.106 1.557) 6.400 20.015 ( 0.188 -0.723 -7.991) 8.026 20.606 ( 10.759 -13.366 -8.554) 19.172 21.671 ( 0.308 -1.269 8.532) 8.631 21.777 ( -4.953 -0.821 13.150) 14.076 21.975 ( 0.921 0.970 -0.593) 1.463 22.240 ( -2.780 0.165 -4.183) 5.025 ======================= Grid point 142 (72/125) ======================= q-point: ( 0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 3.493 11.938 7.255) 14.399 2.010 ( 24.022 -0.811 6.830) 24.988 2.332 ( 8.729 6.460 9.203) 14.235 2.507 ( -0.135 0.776 1.594) 1.778 2.686 ( 0.637 -1.433 -7.489) 7.651 2.951 ( -5.012 -1.702 -1.589) 5.527 3.004 ( -0.221 0.644 0.862) 1.099 3.274 ( -6.744 -0.747 -1.289) 6.906 3.521 ( 1.209 6.004 3.651) 7.130 3.646 ( -2.230 10.714 21.727) 24.327 4.090 ( -4.576 9.552 1.251) 10.665 4.154 ( 0.166 -16.126 2.517) 16.322 4.285 ( -0.366 -2.016 -2.432) 3.181 4.433 ( -2.082 7.077 -9.941) 12.379 4.464 ( 3.614 -5.510 8.670) 10.890 4.704 ( -3.137 -9.261 15.720) 18.513 4.919 ( -3.631 7.020 -1.767) 8.098 5.130 ( 4.092 9.936 4.385) 11.606 5.328 ( 2.867 2.695 -5.053) 6.404 5.460 ( 3.507 -0.691 3.300) 4.865 5.579 ( 2.436 1.458 0.925) 2.986 5.821 ( 1.881 6.861 -13.384) 15.157 6.054 ( 3.872 0.160 -1.824) 4.283 6.302 ( -3.645 -3.779 0.523) 5.276 6.498 ( 3.079 -2.306 -4.938) 6.260 6.718 ( -3.788 4.506 13.266) 14.513 6.911 ( 2.902 0.028 -1.395) 3.219 7.387 ( 3.712 -7.537 -1.054) 8.467 7.534 ( 0.740 -11.252 -8.131) 13.902 7.809 ( 2.330 -2.786 -5.273) 6.402 8.344 ( 0.301 9.920 -1.443) 10.029 8.476 ( -2.305 7.111 -2.919) 8.025 8.667 ( -4.144 9.627 -4.789) 11.524 9.013 ( 1.019 7.409 -8.536) 11.349 9.190 ( -4.649 4.200 16.620) 17.762 9.407 ( 0.057 1.991 1.500) 2.493 9.527 ( -5.258 -4.295 1.719) 7.003 9.725 ( -2.029 -1.843 1.944) 3.360 10.108 ( -3.670 -7.301 -7.482) 11.079 10.155 ( 7.730 2.003 -7.525) 10.972 10.966 ( -8.261 7.915 6.561) 13.189 11.053 ( -5.366 3.130 20.347) 21.274 11.564 ( -1.226 11.113 2.893) 11.549 11.617 ( -8.431 4.546 6.479) 11.564 12.042 ( 2.495 -0.357 -8.526) 8.891 12.215 ( -0.858 -1.939 3.133) 3.783 12.314 ( -2.286 -5.758 -4.836) 7.859 12.595 ( -1.239 1.975 1.841) 2.971 12.770 ( 2.513 -7.405 -0.975) 7.880 13.201 ( -0.487 0.565 -7.135) 7.173 13.419 ( 10.746 -3.766 6.551) 13.137 13.687 ( 11.517 3.664 4.665) 12.955 14.266 ( -2.317 9.862 -5.612) 11.581 14.553 ( 6.952 8.166 1.495) 10.828 15.561 ( 0.653 -9.156 -2.941) 9.639 15.647 ( -8.021 -6.565 -5.281) 11.632 16.104 ( -13.374 9.922 -0.633) 16.664 16.177 ( -1.851 3.113 0.709) 3.691 16.513 ( 0.524 -0.751 9.927) 9.969 17.086 ( 6.404 -1.309 0.873) 6.595 17.913 ( -1.703 14.966 6.522) 16.414 18.758 ( 5.490 -2.850 -4.502) 7.650 19.006 ( 0.144 1.076 -6.042) 6.139 19.244 ( -4.071 -1.127 -16.384) 16.920 19.712 ( 0.132 0.518 0.907) 1.053 19.863 ( -1.864 -2.442 -0.424) 3.101 20.057 ( 3.921 -1.303 -2.065) 4.619 20.727 ( 5.545 -14.459 -9.438) 18.135 21.708 ( -0.055 -3.105 8.496) 9.046 21.726 ( -4.682 0.985 13.983) 14.779 21.998 ( 1.947 0.982 -1.350) 2.565 22.167 ( -3.470 0.653 -2.851) 4.538 ======================= Grid point 143 (73/125) ======================= q-point: ( 0.43 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 3.026 12.898 6.282) 14.662 2.318 ( 1.946 -4.973 7.250) 9.005 2.416 ( -6.847 0.735 -2.466) 7.314 2.576 ( 12.971 -0.805 8.204) 15.369 2.645 ( -1.946 3.400 1.198) 4.097 2.899 ( -0.222 -0.861 4.554) 4.640 3.076 ( 5.259 -1.158 2.398) 5.894 3.148 ( -2.915 -2.020 -3.246) 4.808 3.522 ( -2.145 9.462 4.020) 10.502 3.715 ( 2.633 5.983 11.054) 12.842 3.961 ( -8.909 14.029 -3.110) 16.907 4.200 ( -1.075 -9.994 -1.946) 10.239 4.267 ( -1.326 1.180 4.304) 4.656 4.383 ( 2.688 0.530 3.014) 4.073 4.574 ( 3.481 -2.291 -1.282) 4.360 4.686 ( -2.360 -8.104 12.835) 15.361 4.874 ( -0.648 3.650 6.696) 7.654 5.189 ( 1.681 9.419 -3.806) 10.297 5.353 ( -0.896 2.897 -3.349) 4.517 5.463 ( -1.205 0.678 5.080) 5.264 5.624 ( 1.214 -0.861 -0.048) 1.489 5.834 ( 3.905 7.973 -12.221) 15.105 6.118 ( 3.273 -1.736 -2.928) 4.722 6.235 ( -3.215 -1.103 -0.123) 3.401 6.488 ( -2.813 -3.238 -4.694) 6.359 6.698 ( -2.770 8.304 10.375) 13.575 6.958 ( 2.315 0.732 0.346) 2.453 7.443 ( 1.589 -11.458 -1.874) 11.719 7.504 ( -0.036 -9.964 -5.219) 11.248 7.826 ( 1.438 1.508 -9.095) 9.330 8.348 ( 0.660 7.122 1.634) 7.337 8.449 ( -0.192 8.564 -0.984) 8.622 8.623 ( 1.405 9.167 -3.441) 9.892 9.008 ( 0.686 7.194 -6.613) 9.796 9.187 ( -1.673 5.147 16.068) 16.955 9.382 ( -3.490 -3.659 -1.005) 5.156 9.484 ( 2.213 -6.283 0.621) 6.690 9.689 ( -2.504 1.527 3.556) 4.610 10.006 ( -4.421 -3.638 -7.771) 9.652 10.271 ( 7.439 -0.550 -10.416) 12.811 10.826 ( -8.526 6.463 11.862) 15.975 11.080 ( 0.523 2.067 17.541) 17.671 11.473 ( -3.613 12.685 -7.077) 14.968 11.573 ( -3.681 4.948 13.331) 14.688 12.071 ( 3.348 -1.172 -8.724) 9.418 12.171 ( -3.948 -2.913 -0.529) 4.935 12.293 ( 1.407 -2.388 0.446) 2.807 12.577 ( -0.662 -1.095 -2.089) 2.450 12.835 ( 3.479 -6.272 1.440) 7.315 13.147 ( -2.663 1.555 -7.642) 8.241 13.598 ( 5.007 -4.606 7.754) 10.316 13.871 ( 5.380 -0.015 4.386) 6.942 14.278 ( 6.263 11.937 -1.854) 13.607 14.645 ( 0.271 7.840 -0.084) 7.845 15.433 ( -5.359 -4.028 -4.902) 8.305 15.569 ( -4.302 -8.878 -4.411) 10.806 15.947 ( -2.244 11.162 1.163) 11.444 16.094 ( -5.845 3.447 -3.041) 7.436 16.630 ( 6.774 -5.888 13.014) 15.809 17.173 ( 2.416 -2.005 0.603) 3.197 17.929 ( 0.922 16.272 8.379) 18.326 18.808 ( 0.916 -1.708 -4.812) 5.188 18.932 ( -3.725 2.038 -11.523) 12.280 19.127 ( -2.023 0.164 -17.071) 17.191 19.765 ( 5.030 -0.254 3.435) 6.097 19.853 ( -0.113 -3.176 -0.793) 3.275 20.108 ( 1.453 -1.382 0.290) 2.026 20.754 ( 1.159 -13.762 -10.528) 17.366 21.676 ( -4.652 0.389 14.418) 15.155 21.750 ( 0.350 -1.948 8.349) 8.580 22.037 ( 2.835 0.852 -2.061) 3.607 22.099 ( -2.906 0.787 -1.930) 3.576 ======================= Grid point 144 (74/125) ======================= q-point: (-0.43 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -4.590 14.136 5.115) 15.718 2.159 ( -17.533 1.766 -2.405) 17.785 2.294 ( -4.159 4.439 12.462) 13.868 2.632 ( -1.050 -1.252 3.857) 4.189 2.796 ( 1.387 -7.666 -3.154) 8.404 2.950 ( 10.064 -5.983 1.059) 11.756 3.171 ( 4.008 6.303 11.247) 13.501 3.237 ( 7.972 -0.228 6.483) 10.278 3.499 ( -1.248 7.981 -1.395) 8.197 3.664 ( -10.129 13.374 -2.960) 17.036 3.862 ( -1.107 8.334 4.920) 9.741 4.069 ( -7.653 15.024 -1.619) 16.938 4.276 ( -2.096 -16.277 9.063) 18.748 4.484 ( 2.298 -8.606 5.515) 10.476 4.562 ( -0.259 2.175 -4.490) 4.995 4.712 ( 0.547 -2.924 3.872) 4.883 4.976 ( 6.492 -1.851 12.345) 14.070 5.169 ( -1.774 4.158 -6.399) 7.835 5.274 ( -4.178 1.334 -2.148) 4.883 5.484 ( -0.002 0.116 5.865) 5.866 5.617 ( -0.981 3.070 -2.565) 4.119 5.881 ( 5.009 5.778 -8.065) 11.114 6.123 ( -2.333 -6.743 -3.946) 8.154 6.198 ( -0.970 5.097 0.299) 5.197 6.384 ( -5.337 -0.816 -3.324) 6.340 6.685 ( -1.555 7.145 6.925) 10.071 6.985 ( -0.420 2.850 2.858) 4.058 7.441 ( 0.673 -14.446 -1.884) 14.584 7.502 ( -0.504 -8.955 -2.613) 9.342 7.784 ( -1.304 4.304 -15.621) 16.256 8.399 ( 3.806 4.654 3.097) 6.763 8.447 ( -0.421 10.410 1.540) 10.532 8.682 ( 5.175 9.444 -2.313) 11.015 8.994 ( 0.492 6.892 -4.349) 8.165 9.227 ( 1.369 -0.265 6.463) 6.612 9.342 ( -0.897 -2.917 6.888) 7.534 9.578 ( 7.219 -4.935 -1.259) 8.835 9.662 ( -1.757 2.174 3.478) 4.462 9.893 ( -4.724 -0.711 -7.649) 9.018 10.350 ( 4.977 -2.419 -12.549) 13.715 10.760 ( -3.008 6.316 15.443) 16.954 11.175 ( 3.371 0.797 15.150) 15.541 11.420 ( 0.382 12.623 -6.465) 14.187 11.545 ( -3.341 4.224 10.898) 12.156 12.050 ( -2.652 -4.346 -5.777) 7.700 12.159 ( 2.891 0.960 -0.643) 3.113 12.342 ( 2.833 -0.004 3.505) 4.507 12.550 ( -0.750 -3.683 -5.482) 6.646 12.891 ( 1.374 -2.409 1.449) 3.129 13.061 ( -3.195 -0.374 -6.700) 7.432 13.659 ( -0.830 -4.402 7.565) 8.792 13.876 ( -5.815 -2.380 1.506) 6.461 14.393 ( -2.703 9.577 -0.132) 9.952 14.650 ( 10.645 9.470 -0.830) 14.271 15.350 ( -8.816 -4.305 -5.015) 11.018 15.488 ( 3.549 -5.611 -4.307) 7.914 15.956 ( -3.156 3.930 1.953) 5.406 16.041 ( 5.890 12.390 0.182) 13.720 16.800 ( 6.074 -9.765 10.458) 15.544 17.176 ( -1.908 -1.131 -1.304) 2.573 17.993 ( 1.856 13.185 9.333) 16.261 18.708 ( -8.133 1.836 -3.619) 9.089 18.886 ( 2.646 1.365 -17.222) 17.477 19.079 ( 3.413 -1.266 -11.877) 12.423 19.831 ( -1.777 -2.720 -2.072) 3.853 19.894 ( 6.562 -0.817 2.993) 7.259 20.109 ( -1.550 -1.862 2.407) 3.415 20.705 ( -2.304 -11.998 -11.874) 17.037 21.648 ( -3.469 1.023 13.577) 14.050 21.782 ( -0.065 -1.759 9.293) 9.459 22.041 ( -2.041 0.584 -2.586) 3.345 22.095 ( 3.631 0.803 -1.572) 4.037 ======================= Grid point 145 (75/125) ======================= q-point: (-0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -18.335 7.805 8.172) 21.537 1.791 ( -12.442 19.303 3.879) 23.291 2.263 ( -4.678 1.177 3.967) 6.246 2.600 ( -2.792 -4.401 2.221) 5.665 2.764 ( -1.599 -0.525 -3.290) 3.695 3.123 ( 6.459 -7.450 -5.442) 11.262 3.273 ( -0.303 10.875 14.078) 17.791 3.329 ( -7.911 6.793 -4.807) 11.482 3.399 ( 1.302 9.823 17.247) 19.891 3.666 ( 9.956 4.461 -0.313) 10.914 3.789 ( -6.031 7.222 -2.770) 9.808 3.982 ( -2.529 13.339 5.488) 14.644 4.271 ( 0.516 -18.097 4.063) 18.555 4.480 ( -0.908 -4.140 -2.665) 5.007 4.577 ( -1.093 -2.900 8.419) 8.971 4.734 ( 0.975 0.172 4.177) 4.293 5.074 ( -0.734 -0.657 1.883) 2.126 5.116 ( -2.070 -4.849 0.063) 5.272 5.210 ( -1.991 1.189 -3.739) 4.400 5.500 ( -0.138 -0.746 7.618) 7.655 5.571 ( -2.999 6.785 -6.025) 9.557 5.951 ( 2.061 -1.910 -6.487) 7.069 6.043 ( -1.465 -0.257 -2.452) 2.868 6.177 ( -0.296 2.346 0.390) 2.396 6.310 ( -2.324 4.482 -0.160) 5.051 6.696 ( 0.310 3.538 6.321) 7.251 6.955 ( -4.082 3.198 4.781) 7.053 7.450 ( -3.631 -9.067 -2.766) 10.151 7.470 ( 2.704 -14.203 -2.254) 14.633 7.701 ( -0.635 3.558 -17.403) 17.774 8.434 ( -1.567 11.280 1.567) 11.496 8.490 ( 4.826 3.688 0.277) 6.080 8.766 ( 3.949 10.705 -2.557) 11.693 9.026 ( 4.459 6.471 -3.489) 8.598 9.267 ( 1.451 -5.174 2.148) 5.787 9.381 ( 0.775 2.589 10.737) 11.071 9.642 ( -1.588 2.153 3.049) 4.056 9.722 ( 8.281 -4.278 -2.509) 9.653 9.794 ( -3.332 0.551 -4.842) 5.903 10.368 ( 1.685 -4.423 -12.529) 13.393 10.822 ( 3.390 6.837 16.298) 17.996 11.292 ( 3.935 2.225 10.977) 11.871 11.423 ( -0.038 10.546 -0.654) 10.566 11.557 ( 2.703 1.730 7.973) 8.595 11.992 ( -1.518 -2.767 -3.205) 4.498 12.209 ( 1.575 0.659 1.797) 2.479 12.409 ( 2.221 1.470 2.320) 3.532 12.535 ( 2.263 -5.358 -4.265) 7.212 12.862 ( -4.035 3.195 -2.696) 5.810 13.020 ( 0.478 -4.152 -2.874) 5.072 13.627 ( -5.041 -4.642 6.253) 9.277 13.687 ( -13.891 -0.411 0.320) 13.901 14.263 ( -5.759 4.164 -3.078) 7.744 14.954 ( 13.047 12.236 -8.182) 19.670 15.161 ( -3.645 -5.730 1.309) 6.917 15.565 ( 3.498 -6.072 -2.197) 7.344 15.926 ( 0.829 7.052 4.210) 8.255 16.226 ( 11.885 11.159 1.349) 16.359 16.879 ( -1.778 -7.316 5.701) 9.444 17.105 ( -4.748 -1.845 -3.294) 6.066 18.032 ( -1.019 8.265 9.208) 12.415 18.555 ( -6.210 3.514 -4.282) 8.322 18.874 ( 2.950 1.680 -17.026) 17.361 19.185 ( 9.429 -5.516 -3.875) 11.591 19.780 ( -2.261 -1.393 -3.814) 4.648 20.005 ( 5.270 -0.358 -2.731) 5.946 20.087 ( -1.841 -2.953 6.818) 7.655 20.589 ( -5.630 -9.100 -13.171) 16.970 21.636 ( -2.556 1.106 12.004) 12.323 21.811 ( -0.521 -1.405 10.595) 10.701 21.999 ( -1.567 0.612 -1.932) 2.562 22.168 ( 4.908 0.446 -2.717) 5.628 ======================= Grid point 146 (76/125) ======================= q-point: (-0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -19.300 17.734 7.826) 27.354 1.717 ( -3.893 17.808 14.982) 23.595 2.115 ( -9.290 2.482 -5.813) 11.237 2.558 ( -2.530 -5.137 1.283) 5.868 2.711 ( -1.500 -0.428 -7.004) 7.176 3.167 ( -2.696 2.442 3.274) 4.894 3.173 ( 0.989 0.578 -11.680) 11.736 3.347 ( -3.468 9.971 18.301) 21.128 3.428 ( -2.156 25.107 22.203) 33.585 3.643 ( -6.081 4.059 -8.003) 10.840 3.919 ( 13.184 -6.369 2.714) 14.891 4.034 ( 5.850 3.591 6.364) 9.360 4.333 ( 4.788 -11.429 0.459) 12.400 4.439 ( -2.995 -2.188 -1.456) 3.985 4.564 ( -3.527 -8.970 10.648) 14.363 4.783 ( 1.266 2.225 6.517) 7.002 5.012 ( -7.796 -3.934 -0.541) 8.749 5.059 ( 0.105 -5.042 -0.245) 5.049 5.169 ( -0.859 1.253 -2.895) 3.269 5.446 ( -6.994 9.161 -10.090) 15.318 5.525 ( -0.361 0.517 5.024) 5.063 5.871 ( -3.573 -4.076 -5.719) 7.880 6.110 ( 3.461 4.677 0.082) 5.819 6.203 ( 2.598 1.278 -1.135) 3.110 6.300 ( 1.795 3.276 3.454) 5.087 6.727 ( 0.495 0.879 5.931) 6.017 6.884 ( -4.929 1.730 6.522) 8.356 7.370 ( -3.483 -7.867 -1.765) 8.783 7.506 ( 2.138 -14.449 -6.192) 15.865 7.671 ( 3.616 1.273 -14.842) 15.330 8.404 ( -1.961 11.615 1.016) 11.823 8.566 ( 3.338 3.909 -1.873) 5.471 8.800 ( 1.158 11.152 -4.605) 12.121 9.106 ( 4.504 7.834 -5.525) 10.592 9.290 ( -0.982 -1.816 7.658) 7.931 9.423 ( 1.051 0.459 3.610) 3.788 9.626 ( -1.748 2.691 6.304) 7.074 9.733 ( -1.604 -0.011 -4.213) 4.508 9.855 ( 6.314 -2.135 -0.710) 6.703 10.338 ( -0.199 -6.275 -12.275) 13.788 10.956 ( 3.906 6.466 15.750) 17.468 11.365 ( -1.628 7.579 6.446) 10.082 11.413 ( 0.553 5.881 5.926) 8.368 11.709 ( 9.238 -3.398 7.425) 12.330 11.979 ( 1.397 -2.132 -3.121) 4.030 12.225 ( -0.680 1.915 3.792) 4.302 12.416 ( 0.008 -1.936 -4.219) 4.642 12.597 ( 0.188 -5.326 1.808) 5.628 12.803 ( 2.331 6.250 -1.175) 6.773 13.031 ( 1.330 -3.103 -1.167) 3.572 13.400 ( -15.364 1.045 -2.055) 15.536 13.519 ( -8.134 -3.672 3.238) 9.494 14.201 ( -0.261 0.884 -0.507) 1.052 14.842 ( -8.534 9.722 -17.099) 21.441 15.381 ( 12.804 -6.321 4.223) 14.890 15.593 ( 0.760 -5.642 -1.323) 5.845 16.053 ( 10.835 9.717 7.514) 16.379 16.457 ( 11.844 8.617 0.129) 14.648 16.770 ( -10.842 -1.526 3.163) 11.396 16.956 ( -9.751 0.159 -4.543) 10.759 18.033 ( -2.239 4.833 8.184) 9.764 18.471 ( -1.255 2.391 0.291) 2.716 18.893 ( 4.704 2.380 -14.517) 15.445 19.328 ( 5.789 -9.798 -3.396) 11.876 19.735 ( -0.865 -0.441 -4.033) 4.149 20.068 ( -1.248 -3.924 4.012) 5.749 20.128 ( 8.180 -1.931 -2.366) 8.732 20.413 ( -7.504 -5.150 -13.995) 16.694 21.633 ( -1.747 0.776 10.533) 10.705 21.827 ( -1.838 -1.468 11.041) 11.288 21.973 ( -0.680 0.718 -0.968) 1.384 22.248 ( 4.379 -0.117 -4.267) 6.115 ======================= Grid point 147 (77/125) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.611 20.969 2.386) 21.113 2.015 ( -2.916 13.131 -5.223) 14.430 2.129 ( 3.269 6.220 2.983) 7.633 2.489 ( -0.111 0.952 -2.250) 2.446 2.611 ( -0.769 -1.546 -2.191) 2.789 3.030 ( -4.404 -1.207 -12.369) 13.185 3.204 ( 1.090 0.297 3.105) 3.304 3.440 ( -0.995 -2.557 3.830) 4.711 3.607 ( -3.157 7.396 9.185) 12.208 3.824 ( -1.840 -13.932 5.814) 15.209 3.974 ( 6.215 -7.696 0.204) 9.894 4.116 ( -3.400 10.817 15.107) 18.889 4.264 ( -4.389 -0.879 11.006) 11.882 4.389 ( -2.809 -1.337 6.108) 6.854 4.534 ( -2.436 0.047 5.451) 5.971 4.660 ( 1.355 10.133 -4.822) 11.303 4.944 ( 3.068 -5.168 -1.994) 6.332 5.051 ( 2.684 -0.242 4.006) 4.828 5.163 ( -0.321 1.616 0.950) 1.901 5.503 ( 2.027 6.432 2.047) 7.048 5.529 ( -1.908 -0.428 -0.603) 2.047 5.897 ( 1.166 8.392 -8.782) 12.203 6.111 ( -4.244 -1.240 7.513) 8.718 6.323 ( -0.141 -1.380 -2.925) 3.238 6.386 ( 5.314 4.371 -2.389) 7.283 6.711 ( -1.829 -4.092 9.048) 10.098 6.779 ( 0.628 -4.081 -2.649) 4.906 7.152 ( 2.727 -16.065 -2.727) 16.521 7.349 ( -0.941 2.212 -0.986) 2.598 7.656 ( 2.056 -4.325 -4.908) 6.857 8.591 ( -0.905 9.509 -2.566) 9.890 8.693 ( 0.698 5.174 -3.174) 6.110 8.964 ( -0.278 5.834 -4.563) 7.411 9.209 ( -0.646 -6.083 6.111) 8.647 9.297 ( -0.973 8.125 -7.237) 10.924 9.484 ( -0.774 3.113 1.808) 3.683 9.663 ( -2.481 1.639 5.100) 5.904 9.733 ( -0.971 5.168 2.221) 5.708 9.986 ( 7.767 0.424 -1.847) 7.995 10.109 ( -3.924 -8.740 -6.556) 11.609 11.150 ( -0.621 4.998 13.937) 14.819 11.402 ( -5.800 0.137 14.584) 15.695 11.554 ( 1.456 6.273 6.203) 8.941 11.850 ( 4.045 1.390 -5.302) 6.812 11.968 ( 1.344 -0.636 -3.123) 3.459 12.264 ( -0.968 -4.892 -4.967) 7.038 12.316 ( -2.026 2.341 4.832) 5.738 12.514 ( 1.248 -1.773 -1.784) 2.808 12.978 ( 1.247 2.728 1.931) 3.567 13.081 ( -1.091 1.661 1.933) 2.772 13.190 ( -2.209 1.450 -2.559) 3.679 13.367 ( -1.675 -1.568 -2.312) 3.257 14.313 ( 4.181 7.288 5.921) 10.279 14.833 ( -3.829 6.618 -10.483) 12.976 15.305 ( 1.202 -11.098 -0.098) 11.164 15.501 ( 2.454 -8.033 -3.718) 9.186 16.426 ( 5.100 6.023 7.245) 10.714 16.557 ( -10.040 2.595 6.788) 12.394 16.768 ( -2.537 5.434 -1.689) 6.230 16.854 ( 0.389 1.842 -1.561) 2.445 18.148 ( -0.379 9.058 4.308) 10.037 18.512 ( 3.486 -0.201 -1.523) 3.809 18.987 ( 4.350 2.117 -10.030) 11.135 19.222 ( 3.716 -6.233 -9.377) 11.857 19.732 ( 2.064 0.661 -2.833) 3.567 19.962 ( -1.837 -3.865 0.089) 4.281 20.077 ( -4.269 -3.263 -6.709) 8.596 20.237 ( 3.555 -7.592 -8.329) 11.817 21.659 ( -1.450 1.423 8.951) 9.178 21.784 ( -2.850 -1.787 9.229) 9.823 21.999 ( 0.190 2.453 0.933) 2.631 22.236 ( 0.714 -3.637 -3.099) 4.831 ======================= Grid point 148 (78/125) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 11.146 12.840 2.364) 17.166 1.980 ( 0.629 12.687 -3.669) 13.221 2.238 ( 6.561 3.594 4.066) 8.514 2.495 ( 1.794 -3.106 -4.992) 6.147 2.629 ( 2.447 4.504 1.677) 5.393 2.933 ( -1.060 -1.200 -11.867) 11.975 3.153 ( -6.860 -3.548 4.609) 8.994 3.470 ( -0.859 2.765 -2.372) 3.743 3.570 ( -0.237 13.335 12.320) 18.157 3.785 ( -4.349 -17.911 3.661) 18.791 4.036 ( -9.215 9.730 18.485) 22.832 4.070 ( 3.031 -9.068 2.321) 9.839 4.261 ( 2.953 -2.983 1.894) 4.605 4.364 ( -3.096 -3.764 10.280) 11.377 4.517 ( -0.580 5.384 8.785) 10.320 4.699 ( 1.184 9.442 -8.765) 12.937 5.041 ( 7.087 -0.798 -0.993) 7.200 5.123 ( 1.509 -1.945 7.653) 8.040 5.188 ( 4.495 0.877 -0.161) 4.582 5.470 ( -2.431 2.370 -0.652) 3.457 5.600 ( 5.306 5.694 1.182) 7.872 5.903 ( 2.727 5.762 -8.538) 10.655 6.050 ( -3.959 -0.598 4.835) 6.277 6.285 ( -2.215 -3.461 -2.037) 4.587 6.474 ( 4.616 4.316 -5.766) 8.555 6.705 ( -1.011 -3.062 10.172) 10.671 6.828 ( 3.829 -3.322 -3.391) 6.099 7.218 ( 4.901 -16.097 -4.120) 17.323 7.336 ( 0.123 3.760 0.308) 3.774 7.686 ( 2.340 -5.217 -2.030) 6.068 8.567 ( -0.449 10.036 -3.531) 10.649 8.672 ( -1.423 5.957 -3.706) 7.159 8.926 ( -3.211 6.252 -3.206) 7.725 9.183 ( -3.671 -0.158 -3.018) 4.755 9.221 ( -3.555 2.456 5.227) 6.781 9.461 ( -1.607 1.131 -0.386) 2.003 9.664 ( 0.196 -0.915 3.881) 3.992 9.683 ( -6.060 5.789 3.064) 8.923 10.026 ( -2.434 -7.422 -4.248) 8.892 10.102 ( 5.931 0.913 -4.945) 7.776 11.150 ( -4.094 5.239 14.639) 16.078 11.294 ( -10.048 4.880 11.876) 16.304 11.616 ( 1.950 3.648 9.247) 10.130 11.850 ( -1.767 2.540 -6.744) 7.420 11.992 ( 2.577 -2.424 -5.736) 6.739 12.207 ( -2.970 -7.215 -3.058) 8.380 12.287 ( -2.331 5.025 3.240) 6.417 12.569 ( 4.320 -1.978 0.116) 4.752 12.818 ( -11.631 2.952 -1.233) 12.063 13.112 ( 2.578 -3.648 0.506) 4.495 13.267 ( 6.593 2.689 -0.096) 7.121 13.483 ( 12.455 0.054 0.968) 12.493 14.440 ( 6.236 8.836 5.295) 12.041 14.727 ( -3.098 11.350 -10.042) 15.468 15.324 ( 1.020 -12.560 0.926) 12.635 15.511 ( -0.267 -11.917 -5.836) 13.272 16.393 ( -9.068 6.309 7.542) 13.376 16.467 ( -4.733 3.191 6.181) 8.413 16.608 ( -8.261 7.013 -0.176) 10.838 16.936 ( 4.778 -1.617 0.321) 5.054 18.178 ( 2.142 12.544 2.342) 12.939 18.606 ( 6.582 -1.245 -2.639) 7.200 19.026 ( 3.420 1.976 -9.978) 10.731 19.249 ( 2.716 -4.629 -12.085) 13.223 19.759 ( 0.094 2.747 -0.555) 2.804 19.902 ( -4.237 -1.996 -0.285) 4.693 19.973 ( -1.440 -2.942 -6.804) 7.551 20.321 ( 6.433 -14.350 -6.925) 17.183 21.667 ( -0.885 0.751 8.841) 8.917 21.759 ( -3.280 -1.231 10.281) 10.862 22.010 ( 0.734 2.619 0.434) 2.755 22.214 ( -1.737 -2.475 -2.793) 4.117 ======================= Grid point 149 (79/125) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 5.995 7.935 3.581) 10.570 2.026 ( 8.462 2.693 -3.046) 9.388 2.361 ( 3.282 -7.357 -1.260) 8.154 2.503 ( 1.278 2.618 -1.538) 3.294 2.699 ( 3.888 3.857 1.655) 5.721 2.921 ( 1.947 2.356 -8.718) 9.238 3.052 ( -2.796 -2.552 5.620) 6.777 3.367 ( -7.672 12.356 7.810) 16.508 3.698 ( 4.585 10.361 1.510) 11.430 3.711 ( -0.238 -12.873 4.068) 13.503 3.934 ( -7.419 0.829 13.672) 15.577 4.135 ( 3.159 -3.795 9.565) 10.764 4.334 ( -2.018 0.072 4.140) 4.606 4.387 ( 7.248 -2.182 4.847) 8.988 4.548 ( 0.044 4.384 8.331) 9.415 4.619 ( -6.611 7.180 -3.529) 10.378 5.077 ( -2.358 7.167 -0.772) 7.584 5.223 ( 5.819 -1.543 3.412) 6.920 5.303 ( 5.497 -6.570 1.679) 8.729 5.450 ( 0.486 3.643 0.372) 3.694 5.655 ( -0.067 4.610 -1.538) 4.860 5.936 ( 3.315 1.730 -8.165) 8.980 6.017 ( -0.050 -0.244 0.244) 0.349 6.243 ( -1.162 -2.933 -2.881) 4.272 6.508 ( 0.881 3.346 -3.807) 5.145 6.760 ( 2.622 0.435 10.946) 11.264 6.867 ( 1.885 -4.057 -4.779) 6.547 7.258 ( 1.061 -12.623 -7.860) 14.908 7.374 ( 3.110 2.709 0.181) 4.128 7.738 ( 3.589 -4.478 1.922) 6.052 8.547 ( -1.073 10.193 -2.423) 10.531 8.631 ( -0.959 7.308 -3.463) 8.143 8.820 ( -5.312 5.673 -3.517) 8.531 9.128 ( -0.246 4.220 -4.658) 6.290 9.200 ( -2.335 -3.409 11.903) 12.599 9.430 ( -0.981 -0.368 -2.311) 2.538 9.522 ( -10.775 3.296 0.546) 11.281 9.679 ( -0.854 -3.071 5.653) 6.490 9.991 ( -0.480 -2.839 -3.560) 4.579 10.182 ( 5.368 0.019 -8.251) 9.843 11.119 ( -4.879 5.467 11.141) 13.334 11.128 ( -10.620 5.100 15.146) 19.188 11.668 ( -0.804 4.495 10.048) 11.037 11.777 ( -1.837 5.669 -8.692) 10.539 12.019 ( 2.729 -1.781 -7.711) 8.372 12.146 ( -2.761 -6.328 -1.319) 7.029 12.252 ( -1.751 2.256 0.871) 2.986 12.615 ( -4.235 -6.279 -1.995) 7.831 12.682 ( 1.928 4.709 3.238) 6.031 13.140 ( 1.590 -6.030 -3.255) 7.035 13.432 ( 8.550 4.482 4.315) 10.574 13.718 ( 10.650 -0.574 2.201) 10.890 14.507 ( 0.605 13.419 -4.365) 14.124 14.723 ( 4.760 9.044 1.299) 10.302 15.341 ( 0.200 -12.394 -2.237) 12.596 15.444 ( -4.072 -12.555 -5.598) 14.337 16.251 ( -9.491 5.892 5.685) 12.535 16.332 ( -7.171 8.091 2.379) 11.070 16.533 ( -2.514 3.778 8.672) 9.788 17.020 ( 3.980 -5.169 1.386) 6.669 18.225 ( 2.017 15.164 0.370) 15.302 18.712 ( 5.848 -2.001 -5.645) 8.370 19.040 ( 1.157 2.344 -9.867) 10.208 19.222 ( -0.862 -1.296 -15.282) 15.361 19.740 ( -0.400 2.539 -0.142) 2.575 19.824 ( -2.464 -1.265 -1.617) 3.207 19.999 ( 3.716 -4.033 -1.800) 5.772 20.401 ( 4.380 -16.894 -6.384) 18.583 21.682 ( -1.077 0.123 9.458) 9.519 21.736 ( -2.828 -0.167 11.193) 11.546 22.030 ( 1.413 2.197 -0.707) 2.706 22.163 ( -2.645 -0.997 -2.197) 3.580 ======================= Grid point 150 (80/125) ======================= q-point: ( 0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.815 5.989 1.830) 6.866 2.189 ( 5.553 -5.610 -1.362) 8.010 2.309 ( -2.890 -8.043 -4.740) 9.773 2.555 ( 1.161 -4.484 -0.596) 4.670 2.748 ( 2.457 2.555 -0.531) 3.585 2.880 ( -3.220 5.125 -4.985) 7.842 3.161 ( 8.784 6.345 11.508) 15.807 3.300 ( -2.203 15.800 10.833) 19.283 3.657 ( -1.823 -4.328 2.176) 5.175 3.847 ( -3.412 1.250 15.410) 15.833 3.863 ( 3.347 -3.501 -3.226) 5.820 4.212 ( -0.793 3.143 3.620) 4.859 4.347 ( 1.995 3.575 8.760) 9.669 4.443 ( -6.630 3.244 3.578) 8.203 4.559 ( 4.899 -0.069 10.626) 11.701 4.567 ( 0.711 3.709 -0.829) 3.866 5.011 ( -3.840 8.826 0.484) 9.638 5.266 ( -2.336 -4.343 -2.690) 5.617 5.382 ( 2.440 -6.254 4.024) 7.827 5.468 ( -0.267 7.568 1.024) 7.642 5.624 ( -0.728 0.837 -1.948) 2.241 5.952 ( 1.154 -4.087 -6.704) 7.936 6.038 ( 2.151 4.041 -5.559) 7.201 6.231 ( 1.124 -2.581 -2.529) 3.785 6.480 ( -3.067 3.589 -1.786) 5.048 6.807 ( -1.271 1.134 3.703) 4.075 6.913 ( 3.910 -4.250 2.720) 6.384 7.213 ( -2.090 -11.986 -9.746) 15.589 7.421 ( 1.746 3.362 0.220) 3.795 7.816 ( 3.037 -2.767 -0.105) 4.110 8.508 ( -1.760 9.275 0.562) 9.457 8.633 ( 1.787 8.378 -1.443) 8.687 8.768 ( 1.309 5.301 -1.906) 5.783 9.117 ( 0.220 4.330 -4.374) 6.159 9.204 ( -1.675 -8.889 5.540) 10.607 9.338 ( -7.670 5.842 7.807) 12.406 9.430 ( 2.359 -2.134 -4.131) 5.214 9.672 ( -1.617 -2.989 5.345) 6.334 9.963 ( -1.373 0.453 -4.505) 4.731 10.247 ( 4.906 -2.133 -10.757) 12.014 10.967 ( -8.988 6.885 12.452) 16.830 11.119 ( -1.418 1.514 14.558) 14.705 11.643 ( -2.850 6.499 2.547) 7.540 11.744 ( -0.512 8.997 -4.343) 10.004 12.025 ( -0.285 -2.714 -6.853) 7.376 12.116 ( 1.044 -2.914 -0.952) 3.239 12.249 ( 1.300 -1.302 1.874) 2.626 12.519 ( -4.028 -5.332 -2.491) 7.132 12.774 ( 4.720 1.396 4.142) 6.433 13.144 ( -0.155 -2.983 -4.834) 5.682 13.565 ( 3.206 2.266 6.291) 7.415 13.856 ( 2.881 -1.864 1.192) 3.633 14.544 ( 6.412 13.611 -3.113) 15.364 14.785 ( -1.612 6.420 1.323) 6.750 15.303 ( -0.041 -8.505 -6.156) 10.500 15.368 ( -3.577 -10.658 -2.502) 11.517 16.118 ( -5.780 6.207 5.241) 9.970 16.249 ( -2.338 8.744 2.432) 9.372 16.560 ( 1.493 0.511 11.727) 11.833 17.089 ( 2.665 -6.275 1.124) 6.909 18.254 ( 0.972 15.311 0.746) 15.360 18.772 ( 2.465 -2.293 -6.683) 7.483 18.983 ( -2.799 3.095 -12.485) 13.164 19.132 ( -2.284 0.163 -16.519) 16.677 19.777 ( 4.164 1.638 1.219) 4.638 19.807 ( 0.634 -1.262 -1.837) 2.317 20.050 ( 1.450 -3.985 -0.050) 4.241 20.439 ( 2.105 -16.472 -6.650) 17.888 21.682 ( -2.517 0.667 11.120) 11.421 21.739 ( -0.956 -0.144 10.551) 10.595 22.057 ( 1.913 1.204 -1.923) 2.968 22.108 ( -2.327 0.152 -1.477) 2.760 ======================= Grid point 151 (81/125) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -2.648 4.574 -2.017) 5.657 2.152 ( -3.312 -0.224 -0.086) 3.321 2.333 ( -0.190 -3.616 -0.321) 3.635 2.549 ( 2.519 -12.414 -4.704) 13.512 2.739 ( -5.439 10.925 0.451) 12.212 2.877 ( 6.617 -0.333 -3.158) 7.340 3.346 ( 3.411 12.913 10.206) 16.809 3.360 ( 5.951 5.012 13.155) 15.284 3.619 ( -5.497 3.825 5.447) 8.633 3.802 ( -2.870 -17.539 5.452) 18.590 3.878 ( -2.742 8.440 -3.706) 9.617 4.183 ( -1.348 7.530 4.984) 9.130 4.228 ( -10.467 -0.780 9.613) 14.233 4.494 ( 0.951 15.338 3.817) 15.834 4.592 ( 1.952 -2.193 0.527) 2.982 4.698 ( 5.936 0.743 9.749) 11.438 4.970 ( -0.373 3.515 3.154) 4.737 5.154 ( -7.270 -4.885 -2.064) 8.998 5.391 ( -3.028 2.918 -4.718) 6.320 5.443 ( -1.537 1.742 5.963) 6.400 5.634 ( 0.938 -3.384 0.323) 3.527 5.935 ( -0.366 -2.575 -6.804) 7.284 6.051 ( 1.869 4.885 -5.115) 7.316 6.268 ( 3.188 -2.587 -1.702) 4.445 6.387 ( -5.587 4.524 -2.349) 7.563 6.777 ( -2.361 0.859 0.762) 2.625 6.967 ( -0.624 -5.139 7.068) 8.761 7.153 ( -0.566 -13.327 -7.790) 15.448 7.432 ( -0.536 3.273 -0.665) 3.383 7.812 ( -2.452 -1.735 -5.544) 6.305 8.516 ( 2.096 7.147 2.029) 7.719 8.660 ( 0.580 9.460 0.877) 9.519 8.843 ( 6.402 6.395 -1.446) 9.164 9.099 ( 0.171 2.580 -3.606) 4.437 9.162 ( -0.769 -5.112 -3.106) 6.031 9.340 ( 1.275 3.195 14.726) 15.122 9.502 ( 6.758 -3.593 -4.000) 8.636 9.666 ( -0.582 -1.802 4.616) 4.989 9.904 ( -3.182 2.557 -5.033) 6.480 10.282 ( 2.433 -4.354 -10.854) 11.945 10.901 ( -2.494 7.128 13.861) 15.785 11.169 ( 1.629 -1.385 13.530) 13.698 11.612 ( -1.258 7.806 1.753) 8.098 11.711 ( -0.589 9.891 -6.325) 11.755 11.983 ( -1.588 -1.855 -2.868) 3.767 12.165 ( 3.469 -0.446 -0.061) 3.498 12.312 ( 4.265 -3.253 2.946) 6.120 12.441 ( -3.241 -6.678 -4.251) 8.554 12.873 ( 4.313 1.701 3.645) 5.898 13.090 ( -3.533 1.431 -5.970) 7.083 13.599 ( -1.554 -0.668 7.250) 7.445 13.829 ( -5.662 -2.830 0.072) 6.330 14.584 ( -8.641 8.998 -1.373) 12.551 14.799 ( 11.142 5.201 -0.490) 12.306 15.248 ( -6.000 -5.309 -6.180) 10.118 15.359 ( 4.576 -6.611 -1.934) 8.270 16.062 ( -2.383 6.404 6.595) 9.497 16.294 ( 6.272 10.081 1.682) 11.991 16.647 ( 2.960 -3.544 11.710) 12.587 17.115 ( -0.250 -5.178 -0.529) 5.211 18.259 ( -1.373 12.960 2.571) 13.284 18.734 ( -4.455 -0.086 -5.891) 7.387 18.911 ( 1.024 1.601 -14.464) 14.588 19.056 ( 0.828 -1.047 -13.918) 13.982 19.795 ( -0.484 -0.640 -3.527) 3.617 19.894 ( 6.542 0.703 -0.555) 6.603 20.047 ( -1.640 -3.666 1.451) 4.270 20.438 ( 0.232 -13.741 -7.150) 15.492 21.672 ( -2.475 1.510 11.152) 11.523 21.763 ( -0.486 -0.689 10.699) 10.733 22.054 ( -1.591 0.791 -2.392) 2.980 22.102 ( 2.337 -0.054 -1.265) 2.657 ======================= Grid point 152 (82/125) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -9.397 10.225 2.974) 14.202 2.105 ( -2.193 9.002 -3.675) 9.967 2.255 ( -5.022 -1.107 -3.114) 6.012 2.576 ( -1.739 0.656 -0.423) 1.906 2.685 ( 0.365 -3.194 -1.319) 3.475 3.001 ( 7.523 -3.032 -5.184) 9.626 3.386 ( -8.538 5.650 -1.225) 10.311 3.457 ( 0.924 -5.241 8.857) 10.333 3.530 ( -0.216 10.725 15.352) 18.729 3.762 ( -0.262 -8.273 -0.313) 8.283 3.839 ( 0.532 1.990 -2.552) 3.279 4.104 ( -6.414 1.098 9.931) 11.873 4.214 ( 0.683 9.858 13.382) 16.635 4.496 ( -0.650 12.158 2.657) 12.462 4.577 ( -4.777 -0.912 5.123) 7.064 4.791 ( 1.159 2.288 2.967) 3.922 5.002 ( 0.057 -2.861 2.914) 4.084 5.026 ( -5.068 -2.555 -0.618) 5.709 5.287 ( -4.829 4.644 -5.836) 8.885 5.448 ( -0.364 -3.422 8.203) 8.896 5.620 ( -2.408 -4.008 -0.790) 4.742 5.914 ( 0.973 3.887 -6.823) 7.913 6.091 ( 3.090 2.975 0.093) 4.291 6.285 ( -2.099 6.510 -6.897) 9.714 6.322 ( 1.466 -2.939 2.670) 4.232 6.731 ( -2.762 -0.157 2.133) 3.493 6.936 ( -4.929 -5.322 5.979) 9.400 7.135 ( 0.724 -15.989 -5.560) 16.944 7.404 ( -1.733 2.885 -1.139) 3.553 7.721 ( -3.722 -1.735 -7.400) 8.463 8.579 ( 3.357 5.121 0.916) 6.192 8.657 ( -0.415 9.633 -1.005) 9.694 8.946 ( 4.452 6.465 -3.882) 8.757 9.149 ( 5.473 5.679 -2.404) 8.245 9.162 ( 1.490 -4.472 0.674) 4.762 9.421 ( 2.013 1.337 10.127) 10.411 9.638 ( 7.531 -2.525 -0.686) 7.972 9.692 ( 2.883 -0.121 1.520) 3.262 9.821 ( -3.990 3.242 -2.940) 5.922 10.262 ( -0.776 -6.026 -9.171) 11.001 10.960 ( 3.139 6.619 13.765) 15.593 11.266 ( 3.681 -3.579 13.526) 14.468 11.589 ( -2.818 8.427 5.148) 10.269 11.709 ( 3.620 8.567 -9.365) 13.198 11.957 ( -0.429 -0.066 -0.971) 1.064 12.226 ( 2.454 0.809 2.309) 3.465 12.373 ( -2.071 -7.337 -5.910) 9.646 12.417 ( 5.405 -3.778 3.183) 7.323 12.942 ( 0.914 3.649 0.136) 3.764 13.000 ( -2.264 2.500 -3.777) 5.064 13.561 ( -4.995 -1.903 6.430) 8.361 13.665 ( -11.278 -1.852 -0.558) 11.443 14.387 ( -9.332 8.101 -1.009) 12.399 15.004 ( 3.669 -8.233 2.240) 9.287 15.146 ( 2.773 5.711 -10.791) 12.520 15.427 ( 2.724 -6.899 -0.472) 7.433 16.098 ( 4.169 9.535 7.399) 12.769 16.459 ( 10.165 10.158 0.439) 14.377 16.721 ( 0.174 -6.067 10.030) 11.724 17.073 ( -3.609 -2.817 -2.400) 5.169 18.216 ( -4.013 9.920 4.122) 11.467 18.609 ( -5.688 1.224 -6.249) 8.539 18.904 ( 3.053 1.406 -13.048) 13.474 19.088 ( 5.737 -4.108 -8.202) 10.820 19.763 ( -1.033 -0.136 -5.675) 5.770 19.966 ( 1.226 -4.307 -6.192) 7.641 20.045 ( 1.826 0.278 4.633) 4.988 20.394 ( -2.373 -9.754 -7.750) 12.682 21.665 ( -2.219 1.876 10.294) 10.696 21.788 ( -0.799 -1.188 10.614) 10.710 22.019 ( -1.334 1.417 -1.344) 2.365 22.151 ( 3.458 -1.817 -2.103) 4.436 ======================= Grid point 153 (83/125) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -10.564 19.579 2.738) 22.415 2.064 ( -1.343 13.304 1.923) 13.509 2.152 ( -4.477 1.684 -6.634) 8.179 2.521 ( -2.758 3.136 -0.818) 4.256 2.659 ( -2.338 -4.300 -3.791) 6.191 3.116 ( 6.172 -2.334 -5.584) 8.644 3.183 ( -7.901 1.680 -5.168) 9.589 3.473 ( -3.085 -4.528 8.976) 10.516 3.590 ( 0.462 1.354 11.447) 11.536 3.822 ( 3.496 2.323 -3.013) 5.167 3.861 ( 2.533 -9.887 6.568) 12.137 4.076 ( 0.504 4.521 8.335) 9.495 4.271 ( -0.881 12.147 17.438) 21.270 4.470 ( -7.250 -2.208 3.887) 8.518 4.508 ( 1.177 8.215 2.746) 8.741 4.755 ( -6.223 -4.062 2.116) 7.727 4.951 ( -3.161 -4.085 -1.279) 5.320 5.000 ( 1.531 3.401 1.468) 4.008 5.195 ( -3.094 1.443 -2.809) 4.421 5.478 ( -0.062 -1.677 6.746) 6.952 5.568 ( -1.917 -0.193 -2.074) 2.831 5.910 ( 0.840 8.387 -8.012) 11.629 6.134 ( -0.328 -1.301 5.905) 6.055 6.281 ( 4.258 5.177 -7.637) 10.161 6.346 ( -0.016 0.439 3.942) 3.966 6.704 ( -0.873 -2.858 3.201) 4.379 6.842 ( -6.000 -4.933 3.418) 8.486 7.134 ( 0.863 -16.624 -3.919) 17.102 7.372 ( -1.208 2.280 -1.205) 2.847 7.656 ( -0.366 -2.738 -6.633) 7.185 8.611 ( -0.342 7.484 -0.428) 7.504 8.668 ( 2.478 6.766 -2.814) 7.736 8.977 ( 1.045 5.822 -5.727) 8.233 9.185 ( 1.607 -5.420 0.832) 5.714 9.267 ( 4.972 7.337 0.020) 8.863 9.471 ( 0.923 2.374 3.997) 4.740 9.704 ( -1.258 5.553 7.189) 9.171 9.739 ( -1.483 0.246 -4.024) 4.295 9.831 ( 8.764 -1.162 -0.522) 8.857 10.198 ( -2.827 -7.385 -7.789) 11.099 11.075 ( 3.309 5.399 13.632) 15.031 11.379 ( 2.333 -4.993 15.185) 16.154 11.550 ( -2.767 9.634 4.980) 11.193 11.771 ( 5.636 5.038 -7.027) 10.321 11.958 ( 0.714 0.679 -1.404) 1.715 12.268 ( 1.033 1.426 2.048) 2.701 12.329 ( -0.545 -5.609 -4.101) 6.970 12.504 ( 2.086 -4.528 0.873) 5.061 12.919 ( 1.224 5.334 -1.800) 5.761 13.019 ( 2.593 1.519 0.530) 3.051 13.419 ( -14.110 0.396 -0.952) 14.148 13.465 ( -6.784 -1.741 1.692) 7.205 14.276 ( -2.411 7.179 2.790) 8.071 14.938 ( -4.446 -1.266 -6.917) 8.320 15.254 ( 5.738 -4.557 -3.795) 8.252 15.465 ( 2.054 -6.568 -1.086) 6.966 16.257 ( 9.027 10.086 7.594) 15.520 16.641 ( 7.446 9.337 -0.073) 11.943 16.703 ( -4.010 -4.598 7.154) 9.402 16.969 ( -6.362 -0.012 -3.110) 7.081 18.163 ( -2.893 8.039 4.988) 9.893 18.510 ( -2.440 0.902 -3.716) 4.536 18.937 ( 4.526 2.052 -10.744) 11.838 19.170 ( 5.109 -6.265 -7.183) 10.814 19.729 ( -0.186 0.051 -5.693) 5.697 19.965 ( 0.990 -6.312 -2.042) 6.708 20.096 ( 2.313 -0.503 -2.026) 3.116 20.298 ( -4.524 -5.909 -8.600) 11.373 21.660 ( -1.940 1.842 9.457) 9.828 21.798 ( -1.914 -1.671 9.625) 9.955 21.999 ( -0.499 1.986 0.031) 2.048 22.208 ( 3.120 -3.369 -2.725) 5.339 ======================= Grid point 154 (84/125) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -2.139 11.314 -5.487) 12.754 2.096 ( -0.454 -2.264 -7.992) 8.319 2.321 ( 3.296 9.772 3.625) 10.931 2.456 ( -1.681 -4.050 -1.345) 4.587 2.736 ( 1.063 11.656 -1.626) 11.817 2.976 ( -1.442 -9.165 -7.833) 12.143 3.197 ( -6.711 5.510 1.764) 8.860 3.422 ( -0.594 -5.913 -1.924) 6.246 3.526 ( 1.726 -2.799 6.769) 7.525 3.674 ( 5.692 -6.714 10.857) 13.976 3.966 ( -0.427 7.388 -4.178) 8.499 4.067 ( -0.672 -2.593 10.082) 10.432 4.215 ( -9.249 -4.390 8.866) 13.544 4.277 ( -5.470 -8.622 14.184) 17.477 4.762 ( -0.638 10.353 6.402) 12.190 4.816 ( 1.735 2.347 -4.099) 5.031 4.899 ( 0.406 2.817 -0.546) 2.898 5.024 ( -1.747 -4.917 5.624) 7.672 5.249 ( 4.034 9.206 -0.962) 10.097 5.442 ( 1.684 -7.819 -1.254) 8.096 5.729 ( 1.665 16.036 4.980) 16.874 6.007 ( -1.861 -7.604 6.173) 9.970 6.101 ( -1.443 7.446 -4.768) 8.959 6.250 ( -2.278 -6.095 -4.659) 8.003 6.478 ( 4.228 5.017 1.518) 6.734 6.630 ( 3.862 -9.404 -2.499) 10.468 6.707 ( -1.435 3.891 2.130) 4.663 6.859 ( 1.471 -10.924 -0.125) 11.023 7.441 ( -0.522 5.574 0.485) 5.619 7.555 ( 0.243 -5.574 -0.668) 5.619 8.737 ( 0.505 4.818 -3.859) 6.194 8.770 ( 0.481 1.642 -4.134) 4.474 9.038 ( -0.294 2.525 -0.567) 2.605 9.102 ( -0.312 -4.256 3.664) 5.624 9.431 ( -1.244 5.017 -3.538) 6.264 9.498 ( -1.913 -1.611 -0.580) 2.568 9.744 ( -3.861 6.410 0.102) 7.484 9.849 ( -0.259 3.739 2.010) 4.252 9.918 ( 2.757 -5.131 -5.471) 7.991 9.980 ( 2.334 -4.254 3.204) 5.814 11.246 ( -0.100 4.699 11.972) 12.861 11.340 ( -0.757 -4.508 12.579) 13.384 11.712 ( -0.631 7.609 2.898) 8.166 11.828 ( 1.135 -3.698 0.184) 3.873 12.014 ( -0.355 4.476 -5.710) 7.264 12.128 ( -1.499 -6.749 -6.689) 9.620 12.392 ( 0.863 3.813 4.388) 5.877 12.462 ( 1.842 -3.151 1.537) 3.960 13.040 ( 0.206 3.101 0.747) 3.197 13.088 ( -0.713 -1.292 1.141) 1.865 13.243 ( -3.013 3.681 -3.182) 5.723 13.319 ( -1.338 -3.353 -3.143) 4.787 14.533 ( 4.342 13.918 6.479) 15.954 14.808 ( 3.247 -10.645 2.164) 11.338 15.201 ( -2.914 3.003 -7.106) 8.247 15.333 ( -0.793 -8.284 -6.243) 10.404 16.533 ( 0.216 4.206 7.565) 8.658 16.581 ( -5.035 -0.471 7.525) 9.066 16.845 ( -2.251 2.348 -0.629) 3.313 16.869 ( -0.828 -0.217 -0.658) 1.079 18.337 ( 2.284 9.004 0.921) 9.334 18.475 ( 3.122 -4.227 -2.121) 5.667 19.037 ( 4.128 3.122 -9.402) 10.733 19.115 ( 4.204 -4.614 -9.936) 11.734 19.766 ( 3.189 3.108 -3.261) 5.519 19.859 ( 2.456 -5.727 -2.277) 6.635 20.054 ( -4.593 1.077 -6.106) 7.716 20.113 ( -3.060 -4.652 -7.298) 9.180 21.696 ( -1.905 2.190 8.182) 8.681 21.742 ( -2.376 -2.303 8.056) 8.709 22.064 ( 0.567 3.929 0.797) 4.049 22.151 ( 0.808 -4.528 -0.778) 4.665 ======================= Grid point 155 (85/125) ======================= q-point: ( 0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 3.917 8.703 -4.459) 10.534 2.101 ( 3.528 -3.022 -7.263) 8.622 2.328 ( -4.188 8.115 0.411) 9.141 2.456 ( 1.906 -2.431 0.204) 3.096 2.784 ( 3.944 8.815 -0.423) 9.666 2.929 ( 0.522 -3.003 -7.457) 8.056 3.084 ( -5.551 3.517 3.946) 7.665 3.345 ( -3.832 -17.640 -0.661) 18.064 3.668 ( 5.968 9.631 4.790) 12.301 3.801 ( 3.251 3.882 14.289) 15.160 3.943 ( 0.324 -0.718 -3.894) 3.973 4.062 ( -3.780 -7.371 3.703) 9.074 4.144 ( -0.151 -0.515 14.495) 14.505 4.244 ( -2.822 -6.162 15.205) 16.647 4.788 ( 0.636 13.199 6.325) 14.651 4.831 ( 1.116 4.383 -6.286) 7.744 4.945 ( 4.554 -5.187 -2.907) 7.489 5.029 ( -0.239 -7.894 7.696) 11.027 5.320 ( 3.426 8.634 -0.218) 9.291 5.450 ( 0.184 -3.989 0.132) 3.995 5.775 ( 1.258 11.489 0.837) 11.588 5.959 ( -4.672 -4.596 2.825) 7.137 6.073 ( 0.228 5.763 -3.273) 6.632 6.198 ( -1.397 -5.606 -3.659) 6.839 6.556 ( 3.140 4.279 1.952) 5.655 6.698 ( 3.609 -8.918 -0.468) 9.632 6.735 ( 4.115 6.526 -1.913) 7.949 6.922 ( 5.445 -11.976 -2.739) 13.438 7.446 ( 0.799 6.279 2.085) 6.664 7.572 ( 1.516 -6.091 1.494) 6.453 8.727 ( 0.243 5.216 -4.612) 6.967 8.758 ( -0.170 1.991 -4.330) 4.769 9.018 ( -2.840 3.587 1.192) 4.728 9.097 ( -2.111 -4.560 5.944) 7.783 9.340 ( -5.718 5.884 -5.953) 10.137 9.435 ( -3.331 -3.379 -2.886) 5.553 9.674 ( -4.842 2.344 6.122) 8.150 9.742 ( -8.403 -2.508 0.509) 8.785 9.974 ( 3.971 3.956 -2.007) 5.954 10.074 ( 5.144 -3.858 -3.481) 7.312 11.248 ( -4.207 4.522 13.458) 14.808 11.320 ( -6.171 -1.986 13.033) 14.556 11.724 ( 1.251 6.634 2.156) 7.087 11.841 ( 0.287 -3.939 -2.515) 4.682 11.985 ( -0.132 2.498 -5.132) 5.709 12.073 ( -1.903 -5.770 -5.207) 8.002 12.395 ( -1.796 5.348 2.970) 6.376 12.497 ( 0.816 -4.654 1.489) 4.954 12.913 ( -8.603 5.729 -1.725) 10.479 13.025 ( -3.611 -5.133 -1.149) 6.380 13.349 ( 10.506 5.042 0.480) 11.663 13.443 ( 12.019 -3.779 0.326) 12.604 14.668 ( 7.077 13.295 5.993) 16.210 14.884 ( 3.944 -1.490 -1.635) 4.523 15.112 ( -3.764 -2.009 -3.436) 5.478 15.270 ( -3.426 -11.671 -7.116) 14.092 16.486 ( -7.596 2.792 7.647) 11.134 16.506 ( -5.750 0.657 7.716) 9.646 16.753 ( -5.105 6.919 0.388) 8.607 16.872 ( -0.162 -4.736 0.683) 4.787 18.413 ( 5.177 10.102 -1.252) 11.420 18.559 ( 6.138 -4.311 -3.701) 8.364 19.078 ( 3.934 3.384 -10.450) 11.667 19.159 ( 4.308 -4.433 -11.343) 12.918 19.838 ( 4.365 4.419 -0.619) 6.242 19.873 ( -1.249 -0.746 -1.881) 2.379 19.928 ( -5.508 0.107 -6.435) 8.471 20.058 ( 0.733 -11.120 -5.888) 12.604 21.692 ( -1.464 1.616 8.393) 8.671 21.728 ( -2.150 -1.789 8.623) 9.065 22.075 ( 0.377 3.698 0.383) 3.736 22.151 ( -0.467 -3.648 -0.964) 3.802 ======================= Grid point 156 (86/125) ======================= q-point: ( 0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 5.363 3.786 -3.863) 7.617 2.149 ( 3.102 -1.786 -5.465) 6.533 2.232 ( -4.797 5.794 -1.209) 7.619 2.447 ( -2.911 -9.595 -1.635) 10.159 2.842 ( 3.111 10.333 -3.891) 11.471 2.970 ( 4.505 -0.217 -3.299) 5.588 3.077 ( 3.819 5.793 6.280) 9.358 3.307 ( -0.219 -16.692 2.074) 16.822 3.689 ( -3.784 13.181 6.867) 15.336 3.874 ( -4.565 -5.209 6.929) 9.798 3.956 ( 5.389 9.033 4.337) 11.378 4.118 ( 5.602 -4.557 13.191) 15.039 4.174 ( -2.201 -1.359 14.690) 14.916 4.312 ( 5.363 -6.337 7.869) 11.438 4.788 ( -3.665 9.401 -3.943) 10.833 4.813 ( -0.395 14.937 5.764) 16.015 5.012 ( 3.178 -11.345 -2.212) 11.988 5.077 ( 2.775 -10.134 2.475) 10.794 5.357 ( 0.324 8.140 0.028) 8.146 5.474 ( 2.378 -2.398 -0.649) 3.439 5.764 ( -2.158 5.939 -1.162) 6.425 5.871 ( -4.702 -4.734 1.172) 6.775 6.092 ( 2.758 4.555 -2.912) 6.069 6.177 ( -0.006 -3.762 -2.468) 4.499 6.599 ( 0.919 5.485 0.079) 5.563 6.737 ( 0.699 -7.299 -0.016) 7.333 6.827 ( 5.800 6.056 -4.711) 9.618 7.006 ( 4.380 -11.113 -8.786) 14.828 7.491 ( 2.817 7.143 4.497) 8.898 7.629 ( 3.623 -6.308 5.122) 8.896 8.720 ( 0.437 5.543 -3.357) 6.495 8.743 ( 0.217 3.071 -3.522) 4.678 8.920 ( -7.042 5.711 0.398) 9.075 9.064 ( -3.634 -7.481 4.812) 9.609 9.240 ( -2.657 5.683 -2.450) 6.735 9.369 ( -2.244 -6.186 -3.980) 7.691 9.566 ( -8.607 2.727 7.171) 11.530 9.631 ( -3.978 -2.702 4.021) 6.268 10.026 ( 2.644 5.445 -4.614) 7.611 10.138 ( 3.838 -4.464 -7.272) 9.356 11.191 ( -6.508 2.685 14.195) 15.845 11.210 ( -9.396 1.448 12.098) 15.387 11.768 ( 1.772 4.909 2.445) 5.764 11.827 ( 0.655 -0.264 -5.828) 5.871 11.987 ( 2.005 -0.578 -5.514) 5.895 12.029 ( -1.051 -4.616 -2.814) 5.508 12.345 ( -4.158 5.928 0.980) 7.307 12.474 ( -3.676 -6.917 -0.244) 7.837 12.822 ( -0.438 8.256 1.257) 8.362 12.992 ( 0.649 -8.259 -0.567) 8.304 13.551 ( 9.267 6.497 2.244) 11.538 13.666 ( 10.068 -4.467 1.454) 11.110 14.787 ( 3.010 14.179 -2.104) 14.647 14.925 ( 2.087 10.847 -0.506) 11.057 15.076 ( 0.333 -13.444 -1.639) 13.547 15.180 ( -2.861 -13.188 -3.701) 13.993 16.352 ( -9.243 3.878 8.406) 13.082 16.398 ( -7.811 -0.434 8.323) 11.423 16.691 ( -1.698 10.183 2.396) 10.598 16.883 ( 1.248 -8.417 1.399) 8.624 18.491 ( 3.809 10.877 -4.450) 12.354 18.650 ( 5.012 -5.026 -6.753) 9.797 19.104 ( 2.141 3.954 -11.229) 12.096 19.180 ( 1.622 -3.088 -13.190) 13.643 19.809 ( -1.576 2.621 -4.874) 5.754 19.825 ( -2.448 1.557 -3.425) 4.488 19.934 ( 3.916 0.109 1.068) 4.061 20.091 ( 3.036 -13.125 -1.872) 13.601 21.697 ( -1.260 1.165 9.054) 9.215 21.722 ( -1.735 -1.131 9.463) 9.687 22.081 ( 0.277 2.701 -0.504) 2.761 22.131 ( -1.181 -2.131 -1.191) 2.712 ======================= Grid point 157 (87/125) ======================= q-point: ( 0.43 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 2.211 0.275 -5.184) 5.642 2.162 ( -0.877 -3.691 -3.837) 5.395 2.182 ( 2.144 5.615 -0.975) 6.089 2.371 ( -3.353 -10.900 -3.522) 11.936 2.908 ( 5.266 12.002 -3.365) 13.531 3.017 ( 0.896 5.880 -3.159) 6.735 3.210 ( 5.658 -2.141 7.136) 9.355 3.346 ( 3.078 -16.537 1.538) 16.892 3.645 ( -3.112 15.500 10.286) 18.861 3.808 ( -4.142 -0.494 7.889) 8.924 4.031 ( -0.981 5.605 11.350) 12.697 4.139 ( -4.520 -7.444 14.789) 17.163 4.331 ( 7.940 1.507 11.946) 14.423 4.424 ( 2.921 -4.757 3.630) 6.659 4.711 ( -1.145 13.415 -1.794) 13.582 4.823 ( -0.320 13.873 5.508) 14.930 5.036 ( -0.252 -11.715 -4.145) 12.430 5.111 ( 0.001 -8.436 1.897) 8.647 5.331 ( -2.893 6.844 0.033) 7.430 5.507 ( 0.342 -6.716 -2.086) 7.041 5.703 ( -2.790 7.704 -0.579) 8.214 5.836 ( 1.257 -5.271 -0.628) 5.455 6.140 ( 3.039 2.968 -4.030) 5.855 6.174 ( 0.384 -1.648 -0.905) 1.919 6.585 ( -2.448 5.897 -1.396) 6.536 6.720 ( -2.220 -7.308 -1.091) 7.715 6.896 ( 2.923 2.634 -3.709) 5.407 7.005 ( -0.138 -8.073 -12.085) 14.535 7.559 ( 1.821 8.465 4.758) 9.880 7.718 ( 2.691 -6.756 4.517) 8.561 8.705 ( -1.993 8.844 -0.986) 9.119 8.755 ( 2.114 3.207 -1.217) 4.029 8.844 ( 0.680 3.424 1.283) 3.720 8.998 ( -3.578 -10.597 1.553) 11.292 9.215 ( 0.072 5.437 -1.951) 5.777 9.332 ( -0.680 -5.789 -1.195) 5.950 9.471 ( -3.386 5.905 6.374) 9.326 9.589 ( -2.305 -5.307 5.425) 7.931 10.040 ( 0.834 6.458 -6.368) 9.108 10.171 ( 2.644 -5.596 -9.368) 11.228 11.081 ( -7.725 4.160 12.545) 15.309 11.129 ( -4.699 -0.760 12.752) 13.611 11.773 ( -0.682 5.975 -1.054) 6.105 11.846 ( 1.820 0.120 -5.677) 5.962 11.996 ( 1.201 0.851 -3.564) 3.856 12.050 ( 3.927 -3.521 -1.859) 5.593 12.270 ( -3.329 3.753 0.730) 5.070 12.385 ( -4.846 -7.018 -1.369) 8.638 12.872 ( 3.705 7.281 3.708) 8.972 13.029 ( 2.573 -7.614 0.605) 8.060 13.667 ( 1.828 6.595 2.282) 7.214 13.788 ( 2.090 -4.918 0.674) 5.386 14.800 ( 2.065 11.302 -5.550) 12.759 14.901 ( -5.641 3.689 -1.355) 6.875 15.126 ( 6.459 -7.104 -2.602) 9.947 15.165 ( 0.280 -8.662 1.015) 8.725 16.230 ( -6.306 4.896 9.271) 12.235 16.305 ( -4.456 -2.034 9.700) 10.866 16.701 ( 1.397 11.334 3.249) 11.873 16.924 ( 2.376 -10.014 1.359) 10.382 18.522 ( 1.263 11.103 -5.152) 12.305 18.693 ( 2.238 -6.004 -7.803) 10.097 19.057 ( -2.570 3.935 -13.272) 14.080 19.119 ( -2.531 -1.848 -14.984) 15.308 19.806 ( 1.416 1.265 -3.231) 3.747 19.822 ( 3.640 1.340 -2.936) 4.865 19.993 ( 1.886 0.814 1.803) 2.733 20.139 ( 2.701 -12.367 -1.172) 12.713 21.703 ( -1.547 1.283 9.866) 10.068 21.727 ( -1.194 -0.985 9.907) 10.027 22.083 ( 0.333 1.297 -1.392) 1.932 22.104 ( -1.129 -0.642 -1.203) 1.770 ======================= Grid point 158 (88/125) ======================= q-point: (-0.43 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.531 2.797 -4.619) 5.425 2.163 ( 2.379 0.085 -4.255) 4.876 2.242 ( 2.577 -2.159 -0.096) 3.363 2.330 ( 1.733 -8.621 -4.167) 9.731 2.959 ( -2.738 9.323 -3.701) 10.398 2.999 ( 2.131 10.485 -3.642) 11.302 3.277 ( -0.686 -8.050 3.986) 9.008 3.405 ( 2.532 -16.732 0.364) 16.926 3.653 ( -1.103 13.874 11.372) 17.974 3.769 ( -4.558 4.610 13.106) 14.621 4.007 ( -3.964 3.654 6.153) 8.180 4.096 ( -5.440 -5.205 14.660) 16.480 4.375 ( -3.977 4.677 8.459) 10.452 4.483 ( 0.542 -6.556 4.844) 8.170 4.780 ( 5.435 8.334 3.082) 10.417 4.847 ( 1.334 16.797 4.800) 17.520 4.972 ( -4.099 -7.891 -2.733) 9.302 5.104 ( -0.793 -2.477 1.704) 3.109 5.270 ( -3.402 -1.066 -0.422) 3.590 5.444 ( -5.094 -11.300 -3.011) 12.756 5.694 ( 0.550 12.710 1.583) 12.820 5.889 ( 3.761 -4.998 -0.537) 6.279 6.165 ( 2.024 4.032 -7.284) 8.568 6.195 ( 1.990 -1.416 1.000) 2.639 6.501 ( -5.047 5.805 -3.727) 8.548 6.662 ( -3.318 -10.205 -0.626) 10.749 6.903 ( -1.647 0.080 0.313) 1.679 6.957 ( -0.531 -5.756 -9.370) 11.010 7.567 ( -2.311 8.248 2.550) 8.937 7.723 ( -3.102 -6.671 1.000) 7.425 8.674 ( -0.267 7.971 -0.552) 7.994 8.773 ( -0.456 0.321 -0.668) 0.870 8.933 ( 6.407 2.856 1.001) 7.086 9.005 ( 4.047 -5.702 2.697) 7.495 9.220 ( 1.697 6.342 -3.251) 7.326 9.342 ( 1.757 -4.731 2.141) 5.482 9.487 ( 3.182 3.589 3.558) 5.973 9.589 ( 0.590 -5.393 5.010) 7.384 10.013 ( -1.467 7.674 -6.014) 9.860 10.169 ( 0.276 -7.031 -8.746) 11.225 11.030 ( -1.922 5.555 12.055) 13.412 11.120 ( -0.537 -3.442 11.647) 12.157 11.759 ( -0.355 6.269 -0.921) 6.347 11.832 ( -0.602 0.270 -5.828) 5.865 12.015 ( 1.152 5.799 -2.693) 6.496 12.131 ( 4.947 -3.749 -2.547) 6.709 12.250 ( 0.540 -1.113 2.314) 2.624 12.304 ( -2.627 -5.999 -0.993) 6.624 12.957 ( 3.644 5.798 3.269) 7.588 13.065 ( 0.753 -4.036 -0.644) 4.156 13.646 ( -4.177 4.788 3.234) 7.130 13.751 ( -5.562 -4.899 0.337) 7.419 14.743 ( -8.260 6.786 -2.528) 10.984 14.839 ( 0.566 -1.803 -2.930) 3.487 15.181 ( 2.305 -0.144 -1.933) 3.011 15.239 ( 5.464 -5.045 -1.349) 7.558 16.199 ( -0.138 6.962 9.746) 11.978 16.326 ( 3.238 -4.907 9.782) 11.412 16.749 ( 2.089 11.031 3.102) 11.648 16.966 ( 1.376 -9.544 0.596) 9.661 18.499 ( -2.373 10.614 -3.542) 11.438 18.672 ( -2.338 -6.204 -6.572) 9.336 18.965 ( -1.027 3.457 -13.251) 13.733 19.026 ( -0.908 -2.248 -13.813) 14.024 19.813 ( 0.245 2.446 -4.709) 5.312 19.880 ( 2.288 -3.193 -5.338) 6.628 20.032 ( 2.353 4.019 2.635) 5.351 20.187 ( 2.775 -10.639 -1.729) 11.130 21.707 ( -1.628 1.853 10.003) 10.302 21.742 ( -0.982 -1.451 10.096) 10.246 22.074 ( -0.794 1.088 -1.636) 2.119 22.093 ( 0.518 -0.754 -1.182) 1.495 ======================= Grid point 159 (89/125) ======================= q-point: (-0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.183 6.935 -1.053) 7.017 2.184 ( 0.460 0.133 -6.455) 6.472 2.250 ( 0.422 2.775 -2.855) 4.004 2.410 ( 5.480 -10.909 -1.446) 12.293 2.849 ( -5.686 11.743 -4.299) 13.737 3.020 ( 0.989 0.152 -5.148) 5.244 3.250 ( -1.660 -3.877 2.024) 4.678 3.447 ( 2.106 -16.012 0.786) 16.169 3.592 ( -9.058 10.903 6.573) 15.625 3.723 ( -5.642 2.414 13.430) 14.765 3.957 ( -2.183 5.707 2.435) 6.577 4.063 ( -2.002 -1.509 9.977) 10.287 4.350 ( -2.971 1.635 14.107) 14.509 4.453 ( -4.985 -8.125 6.197) 11.370 4.810 ( -2.599 8.648 8.571) 12.451 4.836 ( -3.613 6.338 -2.123) 7.598 4.970 ( 2.098 2.911 -0.522) 3.626 5.114 ( 1.077 7.923 0.039) 7.996 5.194 ( -4.252 -9.873 0.187) 10.752 5.355 ( -1.854 -11.090 -1.505) 11.345 5.699 ( -1.091 14.934 4.521) 15.641 5.953 ( 2.531 -6.173 2.425) 7.099 6.171 ( 1.155 6.007 -7.695) 9.831 6.258 ( 4.044 -2.117 0.581) 4.601 6.404 ( -2.843 6.041 -5.095) 8.398 6.604 ( -2.264 -12.722 -1.573) 13.017 6.851 ( -4.592 -0.042 4.479) 6.415 6.912 ( -1.920 -6.026 -4.759) 7.915 7.512 ( -3.411 6.594 0.643) 7.452 7.641 ( -4.623 -5.732 -0.843) 7.412 8.690 ( 1.976 5.578 -1.076) 6.015 8.762 ( 0.316 -0.009 -2.076) 2.100 9.025 ( 2.969 2.796 -1.568) 4.369 9.085 ( 2.084 -3.279 -0.145) 3.888 9.289 ( 6.520 7.707 0.401) 10.103 9.409 ( 3.705 -3.315 4.317) 6.585 9.605 ( 8.280 0.055 1.085) 8.351 9.647 ( 4.105 -3.389 2.657) 5.949 9.949 ( -3.447 8.625 -3.373) 9.882 10.123 ( -2.372 -7.991 -6.211) 10.396 11.082 ( 2.615 5.477 11.208) 12.746 11.182 ( 2.672 -4.601 10.974) 12.196 11.747 ( -1.332 6.192 1.649) 6.545 11.808 ( 0.154 0.592 -3.650) 3.701 12.020 ( 0.996 6.521 -4.152) 7.795 12.180 ( 1.170 -8.072 -6.460) 10.405 12.270 ( 2.027 1.181 3.306) 4.054 12.333 ( 3.866 -4.364 2.729) 6.437 13.015 ( 1.579 3.382 0.571) 3.776 13.048 ( -1.503 0.644 -2.585) 3.059 13.558 ( -6.478 1.643 4.186) 7.885 13.613 ( -8.974 -3.150 0.718) 9.538 14.579 ( -7.806 10.790 -0.216) 13.319 14.804 ( -2.889 -11.136 -0.217) 11.507 15.235 ( 3.810 3.544 -5.786) 7.782 15.311 ( 2.989 -4.520 -1.924) 5.750 16.291 ( 6.027 9.448 9.150) 14.467 16.466 ( 7.181 -7.380 8.650) 13.448 16.788 ( 1.084 9.953 1.978) 10.206 16.971 ( -0.932 -7.415 -0.484) 7.490 18.416 ( -4.873 9.526 -1.614) 10.821 18.572 ( -5.197 -5.253 -5.485) 9.203 18.946 ( 2.978 3.022 -10.565) 11.385 19.014 ( 3.601 -3.473 -10.056) 11.232 19.784 ( -0.921 2.458 -6.540) 7.047 19.862 ( -0.961 -5.091 -6.213) 8.089 20.095 ( 2.871 4.381 0.134) 5.240 20.216 ( 0.884 -7.653 -3.228) 8.353 21.709 ( -1.741 2.397 9.418) 9.873 21.756 ( -1.236 -2.072 9.617) 9.915 22.057 ( -0.481 2.259 -0.839) 2.457 22.106 ( 1.230 -2.530 -1.197) 3.057 ======================= Grid point 160 (90/125) ======================= q-point: (-0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -4.833 9.993 -4.275) 11.895 2.152 ( -1.757 -1.116 -5.510) 5.890 2.257 ( 1.940 9.100 -0.710) 9.332 2.472 ( 1.132 -9.732 -0.871) 9.836 2.756 ( -2.333 12.647 -3.727) 13.390 3.010 ( 0.247 -11.149 -6.525) 12.920 3.266 ( 1.518 8.317 0.232) 8.458 3.406 ( -5.657 4.559 1.591) 7.438 3.546 ( 3.641 -11.916 7.827) 14.714 3.618 ( -8.559 -8.236 6.994) 13.784 3.958 ( 0.896 9.547 2.117) 9.820 4.066 ( -1.489 0.340 7.244) 7.403 4.327 ( -5.688 -6.462 16.404) 18.525 4.356 ( -7.251 -7.500 5.796) 11.934 4.776 ( -3.149 9.735 6.660) 12.208 4.800 ( 0.053 5.464 1.218) 5.598 4.939 ( -3.366 4.218 -2.400) 5.906 5.071 ( -4.342 -0.853 0.882) 4.513 5.186 ( 2.816 3.179 -1.085) 4.384 5.387 ( 3.922 -10.180 -0.180) 10.911 5.699 ( -0.542 16.031 6.532) 17.319 5.995 ( 0.381 -8.913 6.738) 11.180 6.147 ( -1.061 8.336 -6.663) 10.724 6.296 ( -0.112 -4.591 -5.514) 7.176 6.400 ( 3.248 6.337 0.898) 7.177 6.584 ( 1.540 -10.628 -3.775) 11.383 6.768 ( -5.554 0.793 4.957) 7.486 6.865 ( -1.639 -8.483 -0.907) 8.687 7.462 ( -1.913 5.506 -0.024) 5.829 7.573 ( -2.044 -5.202 -1.283) 5.734 8.725 ( 1.886 4.525 -1.945) 5.274 8.768 ( 1.005 1.328 -3.260) 3.661 9.044 ( 0.412 2.098 -2.521) 3.306 9.096 ( 0.124 -3.293 -0.188) 3.300 9.406 ( 4.241 5.960 1.161) 7.406 9.485 ( 2.595 -1.467 2.714) 4.032 9.739 ( 4.969 0.995 -0.904) 5.147 9.781 ( 9.642 -2.296 -2.255) 10.165 9.870 ( -4.316 8.423 2.108) 9.696 10.043 ( -4.415 -8.249 -2.850) 9.781 11.177 ( 2.951 4.878 11.019) 12.406 11.276 ( 2.755 -5.052 11.420) 12.788 11.724 ( -1.670 6.988 2.961) 7.771 11.810 ( 0.639 -1.402 -0.253) 1.561 12.025 ( 1.081 5.716 -5.464) 7.981 12.164 ( 0.059 -7.684 -7.156) 10.500 12.337 ( 3.013 3.106 4.346) 6.132 12.413 ( 3.169 -4.353 2.433) 5.908 13.012 ( 0.469 3.544 -2.101) 4.147 13.046 ( 1.739 0.221 -0.686) 1.882 13.420 ( -10.429 0.360 0.843) 10.469 13.439 ( -8.415 -1.224 -0.311) 8.510 14.489 ( -1.939 13.409 3.768) 14.062 14.771 ( -0.364 -13.304 1.981) 13.455 15.252 ( 0.281 3.265 -7.493) 8.178 15.343 ( 1.472 -5.458 -4.022) 6.938 16.445 ( 6.039 8.481 8.054) 13.163 16.594 ( 1.896 -6.388 8.276) 10.625 16.814 ( 2.090 7.517 -0.199) 7.805 16.931 ( -2.881 -3.939 -1.124) 5.008 18.338 ( -2.610 8.690 0.347) 9.080 18.478 ( -2.472 -4.507 -3.392) 6.158 18.987 ( 4.375 3.202 -8.711) 10.260 19.065 ( 4.576 -4.492 -8.619) 10.743 19.751 ( 0.235 2.539 -6.233) 6.735 19.837 ( 0.772 -5.792 -5.081) 7.744 20.116 ( -0.301 2.434 -3.361) 4.160 20.189 ( -2.188 -4.718 -5.366) 7.473 21.705 ( -1.981 2.557 8.588) 9.177 21.756 ( -1.997 -2.432 8.528) 9.091 22.053 ( 0.247 3.346 0.252) 3.364 22.130 ( 1.569 -4.099 -0.864) 4.473 ======================= Grid point 189 (91/125) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 10.483 0.000 17.404) 20.317 1.614 ( -10.483 0.000 -11.553) 15.600 2.141 ( 2.287 0.000 33.384) 33.462 2.550 ( -7.413 0.000 -5.468) 9.211 2.590 ( -0.209 0.000 1.295) 1.312 2.823 ( 5.947 0.000 -26.502) 27.161 3.191 ( -3.993 0.000 5.721) 6.977 3.245 ( -1.335 0.000 21.761) 21.802 3.365 ( 2.759 0.000 8.624) 9.055 3.629 ( 1.650 0.000 21.901) 21.963 3.743 ( 8.095 0.000 -15.435) 17.429 4.232 ( -6.063 0.000 -34.296) 34.828 4.546 ( -9.011 0.000 3.207) 9.565 4.568 ( 12.123 0.000 1.956) 12.280 4.844 ( -1.294 0.000 1.300) 1.834 4.866 ( -0.316 0.000 0.568) 0.650 4.936 ( -0.692 0.000 12.581) 12.600 5.120 ( 0.752 0.000 -5.764) 5.813 5.198 ( -9.443 0.000 11.919) 15.207 5.369 ( -5.752 0.000 13.600) 14.766 5.419 ( 8.436 0.000 -7.949) 11.591 5.607 ( 0.716 0.000 -16.540) 16.556 5.829 ( -6.819 0.000 9.400) 11.613 6.076 ( 10.097 0.000 -12.466) 16.042 6.688 ( 3.567 0.000 5.534) 6.584 6.752 ( -1.301 0.000 -1.044) 1.668 6.930 ( -7.455 0.000 16.853) 18.429 7.274 ( 10.320 0.000 -19.944) 22.456 7.683 ( 1.608 0.000 -0.590) 1.713 7.718 ( -2.087 0.000 -4.378) 4.850 8.266 ( -2.000 0.000 10.727) 10.912 8.379 ( 0.492 0.000 -2.122) 2.178 8.424 ( 0.494 0.000 1.450) 1.531 8.591 ( -2.113 0.000 -14.675) 14.827 9.426 ( -1.961 0.000 10.924) 11.099 9.535 ( 0.321 0.000 -0.154) 0.356 9.634 ( -6.452 0.000 10.047) 11.941 9.757 ( 5.498 0.000 -5.369) 7.684 10.036 ( 0.073 0.000 -0.453) 0.458 10.186 ( 2.297 0.000 -13.758) 13.949 10.938 ( -1.047 0.000 2.543) 2.750 10.979 ( 0.995 0.000 -2.160) 2.379 11.527 ( -2.140 0.000 18.312) 18.436 11.839 ( 1.514 0.000 -13.588) 13.672 12.248 ( -2.108 0.000 5.992) 6.352 12.341 ( 0.409 0.000 -3.720) 3.743 12.599 ( 5.718 0.000 1.091) 5.821 12.609 ( -1.467 0.000 0.060) 1.468 13.032 ( 15.560 0.000 2.301) 15.729 13.090 ( -24.022 0.000 -3.587) 24.289 13.142 ( -8.191 0.000 -0.361) 8.199 13.158 ( 6.898 0.000 -1.701) 7.105 14.128 ( 1.123 0.000 5.374) 5.490 14.220 ( -0.378 0.000 -4.342) 4.359 15.689 ( -5.480 0.000 -0.796) 5.537 15.692 ( 8.164 0.000 -0.995) 8.224 16.279 ( 11.802 0.000 4.392) 12.592 16.362 ( -6.640 0.000 -4.192) 7.853 16.569 ( -14.701 0.000 4.000) 15.235 16.629 ( 8.564 0.000 -1.940) 8.781 18.088 ( -7.403 0.000 15.987) 17.618 18.444 ( 5.762 0.000 -20.982) 21.759 19.081 ( 11.629 0.000 26.441) 28.885 19.570 ( -15.955 0.000 -21.042) 26.407 19.735 ( 2.768 0.000 -5.632) 6.275 19.735 ( -1.515 0.000 -1.768) 2.329 20.257 ( -11.793 0.000 8.967) 14.815 20.430 ( 18.608 0.000 -9.194) 20.756 21.808 ( 0.038 0.000 6.277) 6.277 21.903 ( 0.120 0.000 -3.773) 3.775 22.088 ( -0.781 0.000 3.627) 3.710 22.120 ( 0.123 0.000 0.011) 0.123 ======================= Grid point 190 (92/125) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.953 0.000 -6.108) 6.182 1.738 ( 23.606 0.000 13.035) 26.966 2.311 ( 5.265 0.000 28.472) 28.955 2.406 ( -5.138 0.000 -10.100) 11.332 2.628 ( 3.550 0.000 2.335) 4.249 2.863 ( 7.329 0.000 -23.276) 24.403 3.197 ( 2.106 0.000 5.931) 6.294 3.266 ( -3.682 0.000 13.621) 14.110 3.494 ( 8.297 0.000 1.382) 8.412 3.763 ( 1.850 0.000 33.700) 33.751 3.810 ( 1.180 0.000 -15.097) 15.143 4.037 ( 1.577 0.000 -35.916) 35.950 4.253 ( -18.213 0.000 -0.279) 18.215 4.542 ( -9.080 0.000 -1.135) 9.150 4.901 ( -3.785 0.000 -0.591) 3.830 4.907 ( 3.497 0.000 1.663) 3.873 4.984 ( -1.918 0.000 20.103) 20.195 5.093 ( 0.560 0.000 -8.789) 8.807 5.129 ( 2.765 0.000 7.626) 8.111 5.374 ( -0.110 0.000 17.162) 17.163 5.565 ( 4.285 0.000 -2.190) 4.812 5.615 ( 8.788 0.000 -15.524) 17.839 5.729 ( -5.949 0.000 7.701) 9.731 6.208 ( 8.855 0.000 -15.954) 18.246 6.711 ( -1.261 0.000 -4.612) 4.781 6.721 ( -1.933 0.000 2.815) 3.415 6.831 ( -8.361 0.000 14.137) 16.425 7.378 ( 7.515 0.000 -21.458) 22.736 7.687 ( 0.315 0.000 -2.443) 2.463 7.732 ( 3.502 0.000 -0.111) 3.504 8.279 ( -0.598 0.000 10.571) 10.588 8.366 ( -2.868 0.000 0.438) 2.902 8.427 ( -1.384 0.000 5.407) 5.582 8.512 ( 0.406 0.000 -13.245) 13.251 9.413 ( -3.850 0.000 11.752) 12.366 9.538 ( -0.077 0.000 0.751) 0.755 9.570 ( -3.283 0.000 8.534) 9.144 9.844 ( 5.717 0.000 -7.151) 9.155 9.996 ( -4.022 0.000 0.434) 4.046 10.150 ( -1.402 0.000 -13.111) 13.186 10.905 ( -3.094 0.000 2.546) 4.007 10.978 ( -0.157 0.000 -2.485) 2.489 11.535 ( -3.562 0.000 19.739) 20.058 11.811 ( 0.907 0.000 -14.950) 14.977 12.200 ( -8.904 0.000 13.270) 15.980 12.341 ( 0.342 0.000 -3.384) 3.401 12.458 ( -13.504 0.000 -0.175) 13.505 12.524 ( -4.886 0.000 -4.422) 6.590 12.930 ( 4.321 0.000 -3.046) 5.286 13.031 ( -2.965 0.000 1.628) 3.383 13.353 ( 13.741 0.000 0.671) 13.757 13.395 ( 17.437 0.000 8.649) 19.464 14.171 ( 2.046 0.000 4.780) 5.199 14.197 ( -0.411 0.000 -5.498) 5.513 15.614 ( -1.400 0.000 -1.952) 2.403 15.848 ( 7.732 0.000 -5.044) 9.231 16.073 ( -19.097 0.000 -7.185) 20.404 16.207 ( -12.306 0.000 4.325) 13.044 16.571 ( 6.106 0.000 5.653) 8.321 16.858 ( 12.776 0.000 0.950) 12.811 18.003 ( -7.709 0.000 19.314) 20.796 18.473 ( 4.512 0.000 -19.435) 19.952 19.201 ( -14.259 0.000 -21.132) 25.493 19.337 ( 4.452 0.000 27.305) 27.666 19.721 ( -0.978 0.000 -1.809) 2.056 19.809 ( 5.572 0.000 -2.249) 6.008 20.083 ( -6.231 0.000 4.216) 7.523 20.673 ( 11.454 0.000 -14.116) 18.179 21.840 ( 1.058 0.000 5.392) 5.495 21.902 ( 1.195 0.000 -3.891) 4.070 22.059 ( -3.552 0.000 4.117) 5.437 22.106 ( -1.450 0.000 -0.431) 1.513 ======================= Grid point 191 (93/125) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 4.717 0.000 6.585) 8.100 2.223 ( 22.595 0.000 9.665) 24.575 2.282 ( -3.794 0.000 -14.691) 15.172 2.536 ( 9.627 0.000 17.721) 20.167 2.743 ( 7.614 0.000 6.540) 10.037 2.936 ( 7.958 0.000 -17.796) 19.494 3.207 ( -5.567 0.000 4.956) 7.454 3.245 ( -1.651 0.000 6.046) 6.267 3.620 ( -12.914 0.000 -11.732) 17.447 3.625 ( 4.150 0.000 -0.838) 4.233 3.867 ( -4.161 0.000 31.741) 32.013 3.984 ( -2.662 0.000 -14.988) 15.223 4.129 ( 13.724 0.000 -26.652) 29.978 4.340 ( -12.691 0.000 4.904) 13.606 4.794 ( -5.138 0.000 1.880) 5.471 4.903 ( -3.116 0.000 -2.050) 3.730 5.018 ( -1.403 0.000 20.745) 20.792 5.141 ( 6.234 0.000 -4.049) 7.433 5.211 ( 2.122 0.000 12.647) 12.823 5.425 ( -1.423 0.000 9.500) 9.606 5.580 ( 1.454 0.000 -11.064) 11.159 5.718 ( 2.171 0.000 11.523) 11.726 5.747 ( 6.298 0.000 -6.420) 8.994 6.289 ( 6.043 0.000 -18.987) 19.926 6.637 ( -7.393 0.000 1.739) 7.595 6.646 ( -5.607 0.000 -2.302) 6.061 6.778 ( 0.286 0.000 8.286) 8.291 7.381 ( 0.871 0.000 -22.971) 22.988 7.721 ( 3.451 0.000 -1.284) 3.682 7.794 ( 2.820 0.000 -0.741) 2.916 8.289 ( -3.821 0.000 2.391) 4.507 8.310 ( 0.141 0.000 9.568) 9.569 8.414 ( -2.359 0.000 7.881) 8.227 8.532 ( 4.861 0.000 -10.527) 11.595 9.384 ( -2.784 0.000 13.120) 13.412 9.538 ( -0.488 0.000 2.034) 2.092 9.559 ( -1.314 0.000 6.524) 6.656 9.905 ( -5.886 0.000 3.032) 6.621 9.907 ( 3.556 0.000 -11.021) 11.581 10.054 ( -3.197 0.000 -13.394) 13.770 10.855 ( -2.907 0.000 2.878) 4.090 10.956 ( -1.015 0.000 -3.763) 3.897 11.537 ( -3.891 0.000 22.770) 23.100 11.792 ( 3.192 0.000 -15.642) 15.964 11.992 ( -14.424 0.000 17.337) 22.553 12.288 ( -5.060 0.000 -5.499) 7.473 12.357 ( -0.277 0.000 -0.988) 1.026 12.454 ( -0.244 0.000 -5.391) 5.397 13.011 ( 4.591 0.000 -4.299) 6.290 13.015 ( -0.167 0.000 1.891) 1.898 13.651 ( 17.017 0.000 2.352) 17.179 13.691 ( 10.039 0.000 11.926) 15.589 14.166 ( -0.642 0.000 -6.957) 6.986 14.246 ( 3.910 0.000 4.153) 5.704 15.622 ( -0.232 0.000 -0.606) 0.649 15.686 ( -14.427 0.000 -8.748) 16.872 15.856 ( -5.451 0.000 -4.588) 7.125 16.029 ( -8.102 0.000 -2.866) 8.594 16.739 ( 10.566 0.000 8.790) 13.745 17.058 ( 7.253 0.000 2.890) 7.807 17.944 ( -5.906 0.000 22.220) 22.992 18.476 ( 2.742 0.000 -19.355) 19.548 18.936 ( -6.336 0.000 -18.644) 19.691 19.306 ( -15.510 0.000 11.591) 19.363 19.744 ( 5.514 0.000 4.625) 7.197 19.900 ( 4.308 0.000 -1.475) 4.553 20.113 ( 5.009 0.000 8.778) 10.107 20.768 ( 4.615 0.000 -16.220) 16.863 21.878 ( 0.881 0.000 5.538) 5.608 21.920 ( 2.024 0.000 -3.484) 4.029 21.996 ( -4.486 0.000 4.599) 6.424 22.070 ( -1.932 0.000 -1.451) 2.416 ======================= Grid point 192 (94/125) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 2.906 0.000 16.914) 17.162 2.128 ( -7.711 0.000 -11.235) 13.627 2.632 ( 17.428 0.000 4.885) 18.099 2.730 ( 4.994 0.000 11.594) 12.624 2.915 ( 2.740 0.000 4.320) 5.116 3.049 ( 9.150 0.000 -8.829) 12.715 3.102 ( -5.202 0.000 -4.682) 6.998 3.138 ( -7.517 0.000 3.528) 8.304 3.402 ( -3.949 0.000 -3.009) 4.965 3.598 ( -6.621 0.000 -3.261) 7.381 3.821 ( -8.897 0.000 19.808) 21.714 4.017 ( 9.825 0.000 -15.872) 18.667 4.089 ( -18.449 0.000 17.736) 25.591 4.341 ( 18.022 0.000 -28.618) 33.820 4.750 ( -0.281 0.000 1.999) 2.019 4.823 ( -4.239 0.000 -1.268) 4.424 5.084 ( 0.388 0.000 20.447) 20.451 5.252 ( 6.413 0.000 -3.195) 7.165 5.343 ( 6.694 0.000 17.645) 18.872 5.391 ( -3.385 0.000 3.066) 4.567 5.548 ( -0.825 0.000 -10.913) 10.944 5.768 ( -1.487 0.000 -10.212) 10.320 5.836 ( 3.610 0.000 16.305) 16.699 6.298 ( 1.519 0.000 -20.052) 20.109 6.495 ( -7.357 0.000 4.192) 8.468 6.536 ( -4.796 0.000 1.725) 5.097 6.857 ( 4.398 0.000 5.556) 7.086 7.275 ( -3.309 0.000 -22.642) 22.882 7.776 ( 2.519 0.000 -0.667) 2.605 7.820 ( 0.293 0.000 -1.897) 1.920 8.285 ( 2.259 0.000 2.767) 3.572 8.339 ( 0.166 0.000 4.489) 4.492 8.392 ( -3.438 0.000 11.103) 11.623 8.590 ( 4.744 0.000 -10.161) 11.214 9.424 ( 2.488 0.000 13.456) 13.684 9.534 ( -0.667 0.000 2.141) 2.243 9.548 ( -2.295 0.000 6.702) 7.084 9.819 ( -4.399 0.000 5.359) 6.933 9.842 ( -4.805 0.000 -13.750) 14.565 10.022 ( 4.542 0.000 -14.857) 15.536 10.825 ( -1.497 0.000 3.885) 4.163 10.921 ( -0.969 0.000 -4.532) 4.634 11.534 ( -5.243 0.000 23.692) 24.265 11.834 ( 6.858 0.000 -15.586) 17.028 11.868 ( -4.280 0.000 15.334) 15.920 12.155 ( -5.666 0.000 -7.836) 9.670 12.365 ( 0.540 0.000 1.078) 1.205 12.445 ( 0.390 0.000 -4.869) 4.884 13.014 ( -1.008 0.000 2.436) 2.636 13.065 ( 2.790 0.000 -4.516) 5.309 13.856 ( 4.303 0.000 11.126) 11.929 13.977 ( 15.846 0.000 3.938) 16.328 14.129 ( -0.176 0.000 -8.582) 8.584 14.266 ( -5.393 0.000 0.755) 5.445 15.444 ( -2.396 0.000 -0.163) 2.401 15.671 ( -11.922 0.000 -4.196) 12.639 15.728 ( 6.745 0.000 -3.035) 7.396 15.852 ( -8.538 0.000 -4.513) 9.657 17.001 ( 13.103 0.000 4.980) 14.018 17.130 ( -0.721 0.000 2.551) 2.651 17.943 ( -2.419 0.000 23.690) 23.813 18.446 ( 1.818 0.000 -22.423) 22.497 18.862 ( 4.236 0.000 -11.028) 11.814 18.992 ( -17.858 0.000 2.652) 18.054 19.874 ( 5.110 0.000 3.431) 6.155 19.945 ( 0.783 0.000 -1.309) 1.525 20.257 ( 5.027 0.000 15.863) 16.641 20.744 ( -0.835 0.000 -18.290) 18.309 21.900 ( -2.073 0.000 9.202) 9.433 21.941 ( -1.493 0.000 1.920) 2.432 21.951 ( 2.306 0.000 -2.529) 3.422 22.031 ( -1.357 0.000 -2.568) 2.904 ======================= Grid point 193 (95/125) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.259 0.000 23.643) 23.644 1.908 ( -12.891 0.000 -6.520) 14.446 2.708 ( -15.440 0.000 -2.544) 15.648 2.790 ( -6.309 0.000 13.203) 14.633 2.852 ( 2.236 0.000 -0.568) 2.307 3.008 ( 0.087 0.000 -3.864) 3.865 3.140 ( 4.936 0.000 -4.809) 6.892 3.234 ( 10.940 0.000 -4.756) 11.929 3.417 ( -8.111 0.000 -1.481) 8.246 3.492 ( 8.685 0.000 7.187) 11.273 3.643 ( -17.757 0.000 18.056) 25.325 3.867 ( -9.061 0.000 17.530) 19.733 4.162 ( 10.416 0.000 -17.039) 19.971 4.562 ( 13.745 0.000 -26.915) 30.222 4.769 ( 0.185 0.000 0.127) 0.225 4.780 ( 1.907 0.000 3.403) 3.900 5.129 ( -2.683 0.000 14.322) 14.571 5.343 ( 4.398 0.000 -5.516) 7.055 5.345 ( -2.426 0.000 4.182) 4.835 5.476 ( -4.462 0.000 -5.642) 7.193 5.528 ( 4.538 0.000 18.898) 19.435 5.651 ( -3.415 0.000 -17.837) 18.161 5.924 ( -0.395 0.000 15.855) 15.860 6.190 ( -5.563 0.000 -17.635) 18.491 6.445 ( -0.465 0.000 7.589) 7.604 6.515 ( 1.971 0.000 4.608) 5.012 6.950 ( 2.476 0.000 9.221) 9.547 7.139 ( -2.166 0.000 -21.699) 21.807 7.794 ( -2.190 0.000 -2.268) 3.153 7.813 ( 1.713 0.000 -0.917) 1.943 8.335 ( -1.145 0.000 -1.171) 1.638 8.350 ( 3.067 0.000 0.046) 3.067 8.373 ( -2.518 0.000 11.754) 12.021 8.637 ( 4.210 0.000 -11.212) 11.976 9.495 ( -2.872 0.000 8.073) 8.569 9.523 ( -0.904 0.000 -0.497) 1.032 9.589 ( 6.167 0.000 16.153) 17.290 9.722 ( -2.571 0.000 -10.660) 10.965 9.786 ( -0.728 0.000 3.079) 3.164 10.069 ( 5.933 0.000 -16.986) 17.992 10.828 ( 0.086 0.000 5.909) 5.910 10.901 ( 0.567 0.000 -4.209) 4.247 11.503 ( -5.377 0.000 18.983) 19.730 11.917 ( 5.732 0.000 -16.728) 17.683 11.927 ( 3.950 0.000 16.828) 17.286 12.067 ( 1.172 0.000 -6.168) 6.278 12.374 ( -0.267 0.000 2.395) 2.410 12.426 ( -0.614 0.000 -5.157) 5.194 12.990 ( -2.521 0.000 2.977) 3.902 13.083 ( 0.907 0.000 -4.506) 4.597 13.951 ( 2.357 0.000 9.779) 10.059 14.038 ( -16.706 0.000 -2.386) 16.875 14.064 ( -1.564 0.000 -10.263) 10.381 14.262 ( 9.927 0.000 1.477) 10.036 15.454 ( -7.308 0.000 -0.574) 7.330 15.561 ( 10.896 0.000 4.302) 11.714 15.707 ( -5.781 0.000 -2.217) 6.191 15.857 ( 8.024 0.000 -1.627) 8.187 17.051 ( -7.730 0.000 -0.767) 7.768 17.189 ( 5.295 0.000 -3.294) 6.236 18.015 ( 1.671 0.000 22.673) 22.735 18.406 ( 2.771 0.000 -24.738) 24.893 18.720 ( -11.757 0.000 4.546) 12.605 19.027 ( 15.701 0.000 -2.001) 15.828 19.919 ( -2.774 0.000 -1.901) 3.363 19.931 ( 0.257 0.000 0.443) 0.512 20.386 ( 2.151 0.000 18.381) 18.506 20.616 ( -5.845 0.000 -20.415) 21.235 21.861 ( -3.981 0.000 8.175) 9.093 21.961 ( 1.466 0.000 3.816) 4.088 21.973 ( -0.125 0.000 -1.505) 1.511 22.018 ( 1.781 0.000 -3.247) 3.703 ======================= Grid point 194 (96/125) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -18.405 0.000 1.659) 18.479 1.855 ( -0.875 0.000 27.928) 27.942 2.357 ( -19.692 0.000 -3.178) 19.946 2.704 ( -6.132 0.000 6.783) 9.144 2.789 ( -3.258 0.000 -7.659) 8.323 2.959 ( -4.867 0.000 -14.312) 15.117 3.239 ( 4.859 0.000 0.168) 4.861 3.279 ( -4.110 0.000 21.387) 21.778 3.381 ( -12.557 0.000 22.364) 25.648 3.499 ( 6.569 0.000 -3.804) 7.591 3.629 ( 3.348 0.000 0.063) 3.349 3.875 ( 7.307 0.000 8.798) 11.436 4.282 ( 8.619 0.000 -12.400) 15.102 4.633 ( 4.219 0.000 -22.750) 23.138 4.831 ( 1.767 0.000 5.366) 5.650 4.833 ( 4.819 0.000 -3.888) 6.192 5.079 ( -5.996 0.000 6.995) 9.213 5.323 ( -3.069 0.000 9.527) 10.009 5.323 ( -9.423 0.000 -0.768) 9.454 5.366 ( 1.687 0.000 -11.958) 12.076 5.592 ( -4.322 0.000 15.918) 16.494 5.622 ( 5.863 0.000 -16.657) 17.659 5.936 ( -3.165 0.000 13.124) 13.500 6.021 ( -5.247 0.000 -15.519) 16.382 6.491 ( 1.796 0.000 10.051) 10.210 6.621 ( 6.173 0.000 5.878) 8.524 7.000 ( -1.550 0.000 14.684) 14.766 7.083 ( 4.400 0.000 -20.983) 21.440 7.733 ( -3.112 0.000 -1.980) 3.689 7.822 ( -0.323 0.000 -3.103) 3.119 8.308 ( -2.787 0.000 7.439) 7.944 8.374 ( 0.828 0.000 -0.611) 1.029 8.380 ( 0.757 0.000 -1.957) 2.098 8.667 ( 3.253 0.000 -13.773) 14.152 9.456 ( -3.973 0.000 10.729) 11.441 9.509 ( 0.414 0.000 -2.346) 2.382 9.679 ( 0.601 0.000 -6.266) 6.295 9.731 ( -0.988 0.000 17.596) 17.623 9.842 ( 8.404 0.000 -2.627) 8.805 10.122 ( 5.808 0.000 -16.891) 17.862 10.868 ( 1.766 0.000 6.585) 6.818 10.917 ( 2.415 0.000 -3.543) 4.288 11.479 ( -3.371 0.000 16.439) 16.781 11.892 ( -0.210 0.000 -14.219) 14.221 12.098 ( 7.631 0.000 15.408) 17.194 12.205 ( 13.149 0.000 -4.937) 14.045 12.372 ( -0.583 0.000 3.150) 3.204 12.393 ( -0.711 0.000 -5.915) 5.957 12.943 ( -3.394 0.000 2.533) 4.235 13.075 ( 0.142 0.000 -4.243) 4.245 13.690 ( -18.453 0.000 -1.542) 18.518 13.948 ( -8.049 0.000 -14.888) 16.925 14.025 ( 2.126 0.000 7.643) 7.933 14.319 ( -2.508 0.000 -3.708) 4.476 15.495 ( 8.334 0.000 11.219) 13.976 15.637 ( 1.297 0.000 -2.108) 2.475 15.754 ( 5.995 0.000 3.447) 6.915 16.029 ( 11.088 0.000 -0.001) 11.088 16.867 ( -10.010 0.000 -4.394) 10.932 17.150 ( -7.364 0.000 -7.377) 10.423 18.131 ( 1.817 0.000 17.609) 17.703 18.390 ( 4.533 0.000 -24.323) 24.741 18.618 ( -1.295 0.000 13.626) 13.688 19.401 ( 22.938 0.000 0.036) 22.938 19.846 ( -3.004 0.000 -4.207) 5.170 19.894 ( -3.838 0.000 -0.521) 3.873 20.391 ( -10.643 0.000 -20.294) 22.915 20.446 ( -2.400 0.000 17.004) 17.172 21.821 ( -3.092 0.000 7.489) 8.102 21.949 ( -1.103 0.000 -2.543) 2.772 22.010 ( 2.145 0.000 4.732) 5.196 22.059 ( 2.852 0.000 -1.626) 3.283 ======================= Grid point 195 (97/125) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -12.204 0.000 12.530) 17.491 1.889 ( -10.086 0.000 5.821) 11.645 2.040 ( -7.547 0.000 17.753) 19.290 2.624 ( -4.057 0.000 3.710) 5.498 2.697 ( -5.519 0.000 -5.137) 7.540 2.835 ( 0.820 0.000 -23.788) 23.803 3.228 ( -8.696 0.000 37.074) 38.080 3.265 ( -3.616 0.000 4.853) 6.052 3.332 ( -0.651 0.000 3.955) 4.009 3.555 ( 0.659 0.000 9.919) 9.941 3.663 ( 4.534 0.000 -10.708) 11.629 4.197 ( 21.129 0.000 5.427) 21.814 4.380 ( 4.030 0.000 -19.340) 19.755 4.580 ( -0.449 0.000 -13.618) 13.625 4.877 ( 0.639 0.000 7.042) 7.071 4.900 ( 1.699 0.000 -0.677) 1.829 4.976 ( -6.403 0.000 4.048) 7.575 5.156 ( -7.274 0.000 1.808) 7.496 5.285 ( -5.129 0.000 12.922) 13.903 5.358 ( 3.081 0.000 -14.881) 15.196 5.494 ( -10.117 0.000 12.233) 15.875 5.657 ( 1.831 0.000 -17.023) 17.121 5.903 ( -4.828 0.000 11.255) 12.247 5.957 ( 4.889 0.000 -11.764) 12.740 6.581 ( 4.351 0.000 8.646) 9.679 6.734 ( 3.344 0.000 2.719) 4.310 6.991 ( -5.371 0.000 18.248) 19.022 7.151 ( 9.553 0.000 -20.034) 22.195 7.683 ( -1.266 0.000 -1.527) 1.983 7.780 ( -2.418 0.000 -4.696) 5.282 8.280 ( -3.333 0.000 10.837) 11.338 8.380 ( 0.309 0.000 -2.613) 2.632 8.400 ( 2.232 0.000 -2.943) 3.694 8.656 ( 0.785 0.000 -15.385) 15.405 9.430 ( -2.793 0.000 11.488) 11.823 9.523 ( 1.237 0.000 -1.011) 1.598 9.693 ( 3.009 0.000 -5.235) 6.038 9.712 ( -5.109 0.000 11.113) 12.231 9.986 ( 5.654 0.000 -0.178) 5.657 10.167 ( 4.736 0.000 -15.309) 16.024 10.922 ( 1.479 0.000 4.371) 4.615 10.954 ( 2.423 0.000 -2.781) 3.689 11.494 ( -1.319 0.000 17.256) 17.307 11.855 ( 1.209 0.000 -13.177) 13.232 12.245 ( 1.596 0.000 7.531) 7.699 12.355 ( -0.489 0.000 -2.617) 2.663 12.428 ( 7.099 0.000 5.486) 8.972 12.476 ( 14.634 0.000 -3.360) 15.015 12.896 ( -0.902 0.000 0.365) 0.974 13.079 ( 2.286 0.000 -3.399) 4.096 13.368 ( -15.028 0.000 -0.987) 15.061 13.607 ( -22.935 0.000 -14.213) 26.982 14.084 ( 1.574 0.000 6.375) 6.566 14.251 ( -1.911 0.000 -3.739) 4.199 15.587 ( 2.912 0.000 1.195) 3.147 15.782 ( -3.249 0.000 1.585) 3.615 15.917 ( 20.786 0.000 9.368) 22.800 16.255 ( 12.485 0.000 -1.066) 12.530 16.682 ( -7.798 0.000 -4.788) 9.151 16.894 ( -16.919 0.000 -3.482) 17.274 18.155 ( -4.564 0.000 13.776) 14.513 18.408 ( 5.820 0.000 -22.776) 23.508 18.778 ( 10.410 0.000 22.448) 24.744 19.692 ( 2.668 0.000 0.440) 2.704 19.804 ( -4.838 0.000 -1.019) 4.945 19.858 ( 5.089 0.000 -24.812) 25.329 20.167 ( 0.773 0.000 -6.106) 6.155 20.405 ( -7.707 0.000 13.808) 15.813 21.801 ( -1.664 0.000 7.065) 7.259 21.921 ( -0.751 0.000 -3.253) 3.338 22.064 ( 1.705 0.000 4.237) 4.567 22.101 ( 1.901 0.000 -0.471) 1.958 ======================= Grid point 196 (98/125) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 8.431 1.731 17.566) 19.562 1.626 ( -8.710 1.284 -11.814) 14.733 2.126 ( 2.516 0.643 29.411) 29.526 2.550 ( -1.066 -1.118 -10.490) 10.603 2.598 ( -3.812 -0.432 2.475) 4.566 2.795 ( 3.173 -2.945 -22.260) 22.677 3.215 ( -2.346 2.597 5.706) 6.694 3.306 ( -0.931 4.611 1.640) 4.982 3.478 ( -3.268 10.378 18.952) 21.853 3.699 ( 3.877 9.413 24.371) 26.412 3.837 ( 7.613 8.443 -9.636) 14.903 4.325 ( -3.978 6.511 -26.367) 27.449 4.474 ( 3.244 -4.378 5.738) 7.913 4.564 ( -2.486 -1.429 -3.344) 4.406 4.759 ( -2.847 -9.991 4.805) 11.446 4.776 ( -0.405 -7.958 0.604) 7.991 4.928 ( -1.159 -0.439 1.742) 2.138 5.023 ( -1.576 -6.307 -4.773) 8.065 5.250 ( 1.160 2.993 12.703) 13.102 5.334 ( 0.242 -0.532 13.122) 13.135 5.444 ( -0.151 1.843 -5.910) 6.193 5.597 ( -0.862 0.473 -15.914) 15.944 5.980 ( -5.850 10.849 6.687) 14.022 6.140 ( 8.580 5.163 -7.881) 12.743 6.604 ( 0.079 -6.580 8.134) 10.463 6.738 ( 1.556 -1.661 -4.706) 5.227 7.005 ( -5.957 5.642 15.372) 17.425 7.318 ( 8.569 3.734 -17.956) 20.244 7.540 ( -0.285 -10.939 1.487) 11.043 7.625 ( 0.540 -8.980 -7.173) 11.506 8.307 ( -0.944 4.905 8.899) 10.205 8.431 ( -1.261 3.839 -4.164) 5.802 8.543 ( 0.383 10.163 2.695) 10.522 8.695 ( -1.015 8.828 -12.882) 15.649 9.453 ( -2.079 2.465 11.031) 11.493 9.543 ( -1.832 1.029 3.589) 4.159 9.667 ( -4.250 2.724 4.912) 7.044 9.729 ( 6.158 -3.758 -5.121) 8.847 9.965 ( -0.321 -4.267 2.131) 4.780 10.136 ( 1.886 -4.303 -13.954) 14.723 11.042 ( -1.732 9.273 4.673) 10.527 11.121 ( 1.360 12.118 -3.921) 12.809 11.546 ( -1.190 1.792 17.005) 17.141 11.841 ( 1.200 0.206 -12.871) 12.928 12.242 ( -2.737 -2.215 4.877) 6.015 12.294 ( -0.171 -5.170 0.232) 5.179 12.483 ( 11.166 -5.792 2.243) 12.777 12.538 ( -10.040 -6.691 -3.085) 12.454 13.004 ( 1.744 0.251 7.143) 7.357 13.103 ( 0.109 -1.337 -3.909) 4.132 13.155 ( 7.608 0.910 2.286) 7.996 13.244 ( -12.891 5.808 -6.451) 15.541 14.203 ( 2.793 5.892 0.854) 6.576 14.244 ( -3.195 3.580 -3.045) 5.683 15.658 ( -3.640 -3.208 0.137) 4.854 15.675 ( 6.666 -2.185 -1.500) 7.174 16.325 ( 11.110 4.435 5.284) 13.077 16.419 ( -6.984 5.490 -4.528) 9.971 16.569 ( -11.718 0.554 5.162) 12.816 16.657 ( 6.041 2.483 -3.792) 7.552 18.107 ( -6.767 1.924 15.138) 16.693 18.442 ( 5.459 -0.181 -19.090) 19.856 19.018 ( 8.905 -5.121 21.265) 23.616 19.401 ( -7.001 -11.793 -16.436) 21.406 19.734 ( 0.873 1.691 2.934) 3.497 19.853 ( -4.555 4.863 -10.860) 12.741 20.225 ( -10.985 -3.102 7.914) 13.890 20.381 ( 16.620 -4.655 -8.465) 19.224 21.803 ( -0.334 -0.400 6.504) 6.525 21.898 ( 0.279 -0.451 -3.505) 3.544 22.062 ( -1.522 -1.050 6.891) 7.135 22.160 ( 0.677 2.062 -3.855) 4.423 ======================= Grid point 197 (99/125) ======================= q-point: ( 0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 4.740 3.713 -4.640) 7.602 1.755 ( 23.105 0.951 10.735) 25.495 2.302 ( 6.611 0.250 23.800) 24.702 2.457 ( -3.839 2.648 -9.843) 10.892 2.588 ( 1.990 -2.044 -0.774) 2.956 2.797 ( 4.235 -5.834 -16.502) 18.008 3.226 ( -0.510 2.648 9.466) 9.843 3.296 ( -1.945 3.158 3.781) 5.297 3.520 ( 3.157 1.933 3.754) 5.272 3.850 ( 2.951 8.513 15.101) 17.585 3.902 ( -1.450 9.265 4.263) 10.301 4.170 ( -0.118 8.668 -23.737) 25.271 4.259 ( -12.011 3.433 -5.256) 13.552 4.544 ( -8.091 -0.088 -1.966) 8.327 4.679 ( -4.108 -14.725 0.468) 15.295 4.810 ( 0.120 -12.276 11.103) 16.552 4.951 ( 1.682 0.276 5.246) 5.516 5.064 ( 5.438 0.623 -3.918) 6.731 5.307 ( -1.650 2.917 3.833) 5.092 5.373 ( 4.608 3.667 13.885) 15.082 5.531 ( 3.664 -2.500 -2.793) 5.242 5.564 ( 4.703 0.245 -9.448) 10.556 5.891 ( -4.058 10.417 2.906) 11.551 6.264 ( 7.579 4.356 -10.793) 13.889 6.570 ( -4.424 -8.396 3.872) 10.250 6.753 ( 0.426 0.533 -5.135) 5.180 6.935 ( -6.032 6.572 12.582) 15.423 7.400 ( 6.370 1.831 -18.354) 19.514 7.559 ( 1.769 -10.546 1.354) 10.778 7.642 ( 3.368 -7.757 -6.073) 10.412 8.309 ( -2.015 4.049 8.241) 9.400 8.398 ( -1.285 2.948 -0.908) 3.341 8.523 ( -3.795 9.160 3.175) 10.410 8.652 ( 1.373 10.474 -8.658) 13.658 9.445 ( -3.611 3.125 11.753) 12.686 9.509 ( -2.690 -1.327 6.359) 7.031 9.625 ( -1.338 3.496 1.080) 3.896 9.822 ( 5.114 -4.692 -5.880) 9.097 9.934 ( -3.003 -1.916 1.554) 3.887 10.103 ( -0.786 -4.251 -12.555) 13.279 10.995 ( -4.513 8.288 4.279) 10.362 11.115 ( -0.541 11.500 -3.197) 11.948 11.559 ( -3.735 2.251 17.036) 17.585 11.814 ( 1.199 0.380 -13.924) 13.981 12.139 ( -12.724 -6.983 12.087) 18.888 12.292 ( 0.501 -3.545 0.225) 3.587 12.365 ( -4.139 -2.623 -5.788) 7.583 12.619 ( -1.537 2.405 2.378) 3.715 12.857 ( -1.780 -4.868 -2.212) 5.636 13.078 ( -3.210 3.321 -3.836) 6.004 13.320 ( 14.097 -2.727 1.628) 14.450 13.443 ( 16.097 3.606 7.329) 18.050 14.156 ( -3.425 1.755 -1.815) 4.255 14.297 ( 5.013 6.790 1.048) 8.504 15.607 ( -0.823 -1.404 -1.524) 2.230 15.775 ( 2.584 -6.266 -5.744) 8.884 16.147 ( -15.710 6.625 -6.139) 18.121 16.258 ( -12.042 4.664 4.272) 13.602 16.581 ( 5.725 1.149 7.209) 9.277 16.874 ( 12.725 1.459 -0.618) 12.823 18.034 ( -6.669 3.113 17.931) 19.383 18.476 ( 4.817 0.292 -18.232) 18.860 19.140 ( -8.171 -5.360 -12.244) 15.666 19.234 ( 1.002 -8.330 11.935) 14.589 19.716 ( -0.911 0.737 -0.020) 1.171 19.883 ( 4.041 4.195 0.257) 5.830 20.059 ( -5.759 -2.296 3.926) 7.339 20.606 ( 10.956 -6.440 -12.902) 18.110 21.829 ( 0.815 -0.901 5.662) 5.791 21.901 ( 1.313 -0.147 -3.475) 3.718 22.036 ( -3.766 -1.040 7.092) 8.097 22.137 ( -1.577 1.724 -3.343) 4.078 ======================= Grid point 198 (100/125) ======================= q-point: ( 0.29 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 7.542 7.669 3.549) 11.327 2.244 ( 23.397 0.238 5.589) 24.056 2.332 ( -3.183 4.584 -9.508) 11.025 2.562 ( 10.418 0.563 18.015) 20.818 2.654 ( 5.032 -5.093 1.442) 7.304 2.850 ( 7.192 -6.894 -13.969) 17.158 3.175 ( -7.602 -1.271 9.053) 11.889 3.267 ( -4.714 1.615 3.621) 6.160 3.556 ( -1.691 -3.283 -2.649) 4.545 3.738 ( -7.502 8.382 -10.294) 15.248 3.943 ( -3.536 7.750 27.304) 28.602 4.096 ( -1.181 7.672 -4.081) 8.770 4.248 ( 11.478 10.497 -24.866) 29.330 4.357 ( -9.291 2.278 0.703) 9.592 4.610 ( -2.060 -13.600 0.965) 13.789 4.834 ( -2.162 -8.905 7.205) 11.657 4.982 ( -0.407 1.174 7.854) 7.952 5.155 ( 4.462 -0.270 0.000) 4.470 5.308 ( -0.011 3.154 9.739) 10.237 5.488 ( 2.040 4.609 7.809) 9.294 5.500 ( -1.152 -0.554 -9.643) 9.728 5.669 ( 4.459 -2.303 2.648) 5.674 5.897 ( 4.006 8.369 -0.980) 9.330 6.339 ( 4.700 3.816 -13.806) 15.075 6.492 ( -5.036 -8.922 2.993) 10.673 6.693 ( -4.723 3.318 -4.184) 7.129 6.901 ( -1.137 7.277 9.196) 11.782 7.413 ( 2.026 3.093 -20.697) 21.024 7.617 ( 3.552 -9.764 1.808) 10.546 7.682 ( 2.238 -8.977 -4.203) 10.162 8.298 ( -1.145 3.424 4.889) 6.077 8.366 ( -1.711 3.097 0.285) 3.549 8.480 ( -2.219 7.686 9.238) 12.220 8.672 ( 2.955 10.222 -7.386) 12.952 9.408 ( -3.617 2.352 11.572) 12.351 9.490 ( -2.132 -2.436 5.861) 6.696 9.618 ( 0.111 2.839 1.358) 3.149 9.824 ( -4.456 -6.365 4.506) 8.982 9.918 ( 2.112 1.099 -10.121) 10.397 10.029 ( -1.606 -2.356 -12.321) 12.647 10.923 ( -4.340 6.629 4.833) 9.281 11.082 ( -1.528 10.763 -4.934) 11.938 11.529 ( -5.246 -0.633 18.382) 19.126 11.811 ( 3.396 1.510 -13.702) 14.197 11.937 ( -11.111 -4.338 13.551) 18.053 12.277 ( -4.854 -1.373 -4.344) 6.657 12.319 ( 1.611 -2.099 1.246) 2.925 12.533 ( -3.554 5.312 -3.135) 7.119 12.910 ( 4.449 -7.333 -1.133) 8.652 13.043 ( -0.171 1.066 -3.460) 3.624 13.610 ( 14.449 -3.165 4.183) 15.371 13.739 ( 13.096 2.799 8.548) 15.887 14.094 ( -2.226 -0.758 -2.911) 3.742 14.404 ( 5.193 10.123 1.968) 11.546 15.612 ( -6.236 -6.062 -7.821) 11.697 15.636 ( -4.673 -0.539 -2.294) 5.234 15.901 ( -9.058 4.791 -4.929) 11.371 16.079 ( -8.501 4.940 -0.291) 9.836 16.735 ( 8.604 -0.233 10.444) 13.534 17.070 ( 7.646 0.717 0.287) 7.685 17.991 ( -4.658 4.669 20.530) 21.563 18.493 ( 3.452 1.551 -18.114) 18.505 18.926 ( -5.612 -0.764 -18.341) 19.196 19.210 ( -11.005 -8.150 9.560) 16.701 19.737 ( 3.932 -0.505 2.564) 4.721 19.905 ( 0.649 -0.321 0.663) 0.982 20.116 ( 5.808 0.013 8.110) 9.976 20.702 ( 4.683 -6.490 -15.326) 17.290 21.867 ( 1.195 -1.028 5.162) 5.397 21.921 ( 1.686 -0.049 -2.272) 2.830 21.980 ( -4.295 -0.668 6.284) 7.641 22.088 ( -2.292 1.209 -2.964) 3.937 ======================= Grid point 199 (101/125) ======================= q-point: ( 0.43 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 4.113 9.418 12.677) 16.319 2.190 ( -6.873 5.263 -11.768) 14.609 2.654 ( 14.634 0.726 6.105) 15.873 2.733 ( 3.576 -0.113 10.988) 11.556 2.776 ( 1.374 -11.354 5.572) 12.722 2.955 ( 6.636 -9.368 -14.236) 18.289 3.097 ( 0.633 2.156 6.607) 6.979 3.160 ( -3.274 2.973 2.700) 5.181 3.438 ( -6.590 1.791 -4.592) 8.229 3.585 ( -8.017 2.134 -5.895) 10.177 3.936 ( -5.403 9.459 20.022) 22.793 4.104 ( -3.598 7.650 0.167) 8.456 4.188 ( -3.251 7.834 3.550) 9.195 4.426 ( 13.366 8.279 -26.437) 30.759 4.631 ( 3.978 -10.928 2.752) 11.951 4.772 ( -5.158 -6.305 0.270) 8.150 5.019 ( 0.856 -2.124 11.759) 11.980 5.210 ( 1.331 -4.911 1.064) 5.198 5.364 ( 0.669 0.232 9.187) 9.214 5.469 ( 1.554 2.799 -4.717) 5.701 5.512 ( -0.143 3.679 3.782) 5.278 5.721 ( -0.166 -0.699 -0.775) 1.057 5.988 ( 4.797 7.944 3.043) 9.767 6.321 ( -2.298 -0.288 -14.309) 14.496 6.426 ( -2.952 -3.254 6.134) 7.545 6.590 ( -3.623 4.025 -4.302) 6.917 6.943 ( 1.845 7.074 8.661) 11.334 7.343 ( -1.499 6.706 -21.731) 22.791 7.677 ( 1.895 -9.271 0.218) 9.465 7.698 ( 0.693 -10.772 -1.004) 10.841 8.313 ( 1.451 4.011 2.547) 4.968 8.350 ( -0.471 1.950 0.178) 2.014 8.493 ( -0.489 8.212 11.557) 14.186 8.699 ( 2.721 8.555 -8.697) 12.499 9.408 ( -0.565 -1.410 9.948) 10.064 9.469 ( -0.972 -2.721 3.575) 4.596 9.637 ( 0.900 3.528 3.638) 5.147 9.754 ( -5.084 -4.133 9.282) 11.362 9.849 ( -4.165 0.324 -11.087) 11.847 10.020 ( 4.797 -0.399 -16.211) 16.911 10.880 ( -2.205 5.549 6.508) 8.832 11.032 ( -1.309 9.760 -6.732) 11.929 11.508 ( -4.070 -2.319 20.187) 20.724 11.786 ( -2.038 -3.449 -3.575) 5.369 11.906 ( 3.906 2.632 2.935) 5.550 12.152 ( -5.679 -0.589 -6.112) 8.364 12.359 ( 1.614 -0.227 3.032) 3.442 12.484 ( -0.976 2.837 -5.055) 5.878 12.970 ( 1.351 -4.716 1.009) 5.008 13.030 ( 0.345 -2.080 -4.091) 4.603 13.813 ( 5.303 -3.125 7.259) 9.518 13.994 ( 4.910 -5.978 -0.396) 7.747 14.093 ( 9.367 7.827 2.986) 12.567 14.425 ( -5.170 10.452 -2.259) 11.877 15.425 ( -1.600 -2.400 -2.085) 3.559 15.611 ( -7.981 -5.134 -5.709) 11.074 15.786 ( 1.834 6.043 0.247) 6.320 15.918 ( -7.585 5.945 -3.221) 10.161 16.953 ( 9.659 -3.722 8.758) 13.559 17.146 ( 0.788 0.546 -1.514) 1.792 18.007 ( -1.238 6.163 21.693) 22.585 18.478 ( 2.046 3.045 -20.889) 21.209 18.852 ( 3.794 -0.875 -11.445) 12.089 18.956 ( -15.739 -3.313 2.403) 16.263 19.851 ( 5.596 -2.087 2.396) 6.436 19.916 ( -0.325 -2.570 -0.011) 2.590 20.249 ( 4.141 -1.007 13.696) 14.344 20.684 ( -0.504 -5.862 -17.295) 18.269 21.907 ( 0.887 -0.275 6.193) 6.262 21.909 ( -3.966 -1.223 7.209) 8.319 21.963 ( 2.225 0.492 -3.626) 4.283 22.039 ( -1.656 0.699 -3.069) 3.557 ======================= Grid point 200 (102/125) ======================= q-point: (-0.43 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -2.952 7.994 17.440) 19.411 1.989 ( -10.480 6.344 -4.600) 13.086 2.627 ( -13.763 -8.267 9.963) 18.895 2.751 ( -3.470 -0.934 5.375) 6.465 2.836 ( -1.228 -2.699 -3.400) 4.512 2.999 ( 3.601 -4.368 -9.989) 11.482 3.192 ( 7.243 3.673 -2.382) 8.463 3.210 ( 3.547 3.249 -4.026) 6.273 3.416 ( -3.220 1.790 -0.924) 3.798 3.460 ( 7.875 -2.110 5.567) 9.872 3.854 ( -14.664 17.664 18.945) 29.765 3.930 ( -8.032 6.754 18.085) 20.909 4.256 ( 6.991 7.526 -14.959) 18.146 4.557 ( 8.328 -0.931 -17.456) 19.363 4.673 ( -4.184 -9.770 -1.668) 10.759 4.759 ( 8.094 -2.525 -1.928) 8.695 5.073 ( -0.144 -3.536 12.060) 12.569 5.210 ( -0.331 -7.913 -4.215) 8.971 5.360 ( -3.501 -1.551 4.702) 6.064 5.465 ( -0.554 0.682 -4.578) 4.661 5.583 ( 2.815 4.264 11.898) 12.949 5.677 ( -0.874 4.337 -7.401) 8.622 6.063 ( -0.158 7.343 6.046) 9.513 6.196 ( -4.592 0.682 -11.233) 12.154 6.396 ( -3.035 -2.688 9.362) 10.202 6.575 ( 3.520 3.360 -3.236) 5.844 7.007 ( 0.942 6.026 11.712) 13.205 7.236 ( -1.450 8.922 -20.580) 22.478 7.685 ( -1.443 -9.562 -0.572) 9.687 7.701 ( 0.410 -10.797 -1.000) 10.851 8.336 ( -1.128 2.738 0.173) 2.967 8.353 ( 1.914 3.248 0.243) 3.778 8.530 ( 0.677 9.622 7.643) 12.307 8.717 ( 2.811 6.746 -10.229) 12.572 9.422 ( -0.210 -5.513 5.375) 7.703 9.515 ( 2.966 -0.065 4.379) 5.289 9.656 ( -2.088 2.815 2.819) 4.497 9.705 ( -0.766 -1.759 6.884) 7.146 9.774 ( -0.613 0.448 -1.576) 1.749 10.060 ( 5.658 -0.885 -18.732) 19.588 10.888 ( 0.320 5.915 8.814) 10.619 11.004 ( 1.000 9.196 -6.637) 11.385 11.500 ( -3.861 -0.374 17.286) 17.716 11.791 ( 3.571 -7.058 -1.051) 7.979 11.986 ( 0.338 1.058 -0.088) 1.114 12.086 ( 4.140 1.767 -3.997) 6.020 12.395 ( 0.881 1.792 3.742) 4.241 12.448 ( -0.727 1.563 -5.807) 6.057 12.949 ( -3.406 -3.303 1.852) 5.093 13.039 ( 1.420 -3.935 -3.770) 5.632 13.884 ( -0.675 -4.960 6.195) 7.965 13.934 ( -6.636 -4.536 -2.890) 8.542 14.199 ( -9.875 7.943 -4.577) 13.475 14.397 ( 11.823 10.886 -0.064) 16.071 15.407 ( -7.685 -4.405 -0.208) 8.860 15.527 ( 8.047 -2.907 2.045) 8.797 15.794 ( -3.070 7.648 -1.597) 8.394 15.903 ( 7.992 4.811 0.034) 9.328 17.047 ( -4.857 -0.817 0.784) 4.987 17.143 ( 2.516 -3.765 -3.026) 5.447 18.083 ( 1.264 6.137 20.100) 21.054 18.441 ( 2.422 3.325 -23.338) 23.697 18.708 ( -10.852 -0.969 4.137) 11.655 18.998 ( 14.012 -2.727 -2.865) 14.560 19.875 ( -3.628 -3.171 -0.719) 4.872 19.928 ( 1.925 -1.216 -0.968) 2.474 20.353 ( 1.119 -3.235 16.346) 16.700 20.573 ( -4.759 -4.272 -18.553) 19.625 21.858 ( -3.886 -0.347 8.063) 8.958 21.950 ( 1.386 -0.518 5.885) 6.068 21.975 ( -0.587 0.028 -2.984) 3.041 22.030 ( 2.551 0.966 -3.664) 4.568 ======================= Grid point 201 (103/125) ======================= q-point: (-0.29 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -18.845 5.134 3.635) 19.867 1.940 ( -2.455 6.084 23.368) 24.272 2.339 ( -19.327 -1.993 0.833) 19.447 2.667 ( -4.552 -0.409 0.529) 4.601 2.758 ( -4.333 -5.230 -3.019) 7.433 2.932 ( -3.618 -1.453 -18.344) 18.754 3.224 ( 1.309 0.917 2.738) 3.170 3.358 ( 5.517 4.566 4.077) 8.241 3.475 ( 7.253 -0.075 -0.491) 7.270 3.608 ( -6.732 15.319 14.641) 22.234 3.653 ( -3.774 6.316 17.130) 18.643 3.942 ( 5.375 6.925 8.646) 12.313 4.317 ( 5.408 2.308 -10.197) 11.771 4.617 ( 3.123 -2.065 -14.216) 14.701 4.637 ( 2.470 -11.462 -5.149) 12.806 4.873 ( 4.213 -2.449 -1.058) 4.987 5.076 ( -3.578 -0.683 8.370) 9.129 5.176 ( -1.654 -10.341 -6.704) 12.435 5.299 ( -4.243 -1.817 6.578) 8.036 5.388 ( -6.372 3.838 -0.737) 7.475 5.623 ( -2.927 1.278 8.370) 8.959 5.692 ( 4.589 6.201 -11.929) 14.206 5.992 ( -4.348 1.326 -4.107) 6.126 6.128 ( -2.588 10.532 1.812) 10.996 6.414 ( 1.521 -5.749 11.345) 12.809 6.660 ( 5.172 1.536 -0.965) 5.481 7.048 ( -1.763 5.162 15.749) 16.667 7.178 ( 3.022 8.351 -19.103) 21.067 7.631 ( -3.631 -9.152 -0.386) 9.853 7.695 ( -0.537 -11.594 -3.414) 12.098 8.311 ( -1.765 3.869 2.469) 4.918 8.392 ( 2.912 3.400 -2.273) 5.021 8.551 ( -0.491 10.309 2.436) 10.605 8.736 ( 3.158 6.291 -12.403) 14.261 9.459 ( 2.214 -2.415 5.268) 6.203 9.518 ( -3.991 3.071 7.063) 8.674 9.639 ( 1.888 -3.084 -7.217) 8.073 9.743 ( -1.344 0.440 11.794) 11.878 9.819 ( 5.397 -1.434 1.937) 5.910 10.101 ( 5.381 -1.763 -18.235) 19.094 10.950 ( 2.746 7.630 9.228) 12.285 11.026 ( 3.526 9.779 -5.854) 11.930 11.488 ( -2.853 0.918 14.829) 15.128 11.864 ( 3.431 -4.030 -10.412) 11.680 11.997 ( 4.298 -5.756 8.021) 10.767 12.211 ( 5.949 0.421 0.688) 6.004 12.387 ( -1.482 -0.180 -3.697) 3.987 12.476 ( 6.039 6.635 0.780) 9.006 12.874 ( -5.194 -5.612 1.705) 7.834 13.045 ( 0.595 -2.624 -2.885) 3.945 13.673 ( -16.733 -1.485 -2.430) 16.973 13.839 ( -8.421 -5.826 0.662) 10.261 14.093 ( 0.815 3.952 -4.905) 6.352 14.480 ( -2.718 12.948 -6.558) 14.766 15.434 ( 8.286 -5.649 10.251) 14.341 15.616 ( 1.833 -2.040 -0.149) 2.747 15.826 ( 5.596 6.660 2.140) 8.958 16.086 ( 11.322 5.510 0.414) 12.598 16.891 ( -9.068 2.172 -4.944) 10.554 17.108 ( -6.347 -3.961 -4.713) 8.842 18.164 ( 0.066 3.083 15.586) 15.889 18.416 ( 2.953 2.372 -21.822) 22.149 18.622 ( -0.158 0.658 11.793) 11.812 19.308 ( 17.632 -8.235 -1.309) 19.504 19.784 ( -4.950 -3.063 -2.048) 6.171 19.941 ( 1.451 1.336 -2.571) 3.240 20.346 ( -7.829 -4.157 -6.500) 10.992 20.428 ( -3.930 -2.040 3.815) 5.845 21.820 ( -3.009 -0.056 7.659) 8.229 21.943 ( -1.224 -0.577 -2.922) 3.220 22.001 ( 1.635 -0.331 6.239) 6.458 22.082 ( 3.779 1.501 -3.509) 5.370 ======================= Grid point 202 (104/125) ======================= q-point: (-0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -13.278 4.372 12.673) 18.869 1.936 ( -16.633 2.422 -6.550) 18.040 2.015 ( -3.419 0.255 28.073) 28.282 2.599 ( -2.246 -1.355 -4.361) 5.089 2.673 ( -4.147 -3.853 -0.249) 5.666 2.831 ( 0.935 -0.550 -23.482) 23.507 3.243 ( -1.584 0.597 6.527) 6.743 3.367 ( -4.327 5.949 -3.818) 8.288 3.500 ( -8.420 19.304 36.342) 42.003 3.577 ( 1.880 3.261 11.854) 12.437 3.725 ( 7.160 5.646 -8.298) 12.329 4.189 ( 16.187 0.536 4.613) 16.841 4.409 ( 5.650 -0.407 -10.381) 11.826 4.586 ( 0.145 -1.831 -7.787) 8.000 4.709 ( 5.558 -6.759 -8.712) 12.348 4.883 ( -4.515 -5.533 2.868) 7.696 4.999 ( -5.884 0.638 2.257) 6.335 5.103 ( -3.588 -10.250 -6.011) 12.412 5.254 ( -4.762 -1.176 8.906) 10.167 5.285 ( -2.223 2.724 8.361) 9.070 5.542 ( -6.655 1.739 1.879) 7.130 5.680 ( -1.097 1.945 -16.273) 16.425 5.987 ( 4.308 5.234 -0.903) 6.839 6.081 ( -2.761 10.801 2.490) 11.423 6.514 ( 4.607 -5.499 9.870) 12.202 6.727 ( 2.113 -1.387 -1.984) 3.213 7.045 ( -4.382 4.978 17.550) 18.761 7.221 ( 7.766 6.128 -18.243) 20.753 7.567 ( -2.896 -9.853 0.599) 10.288 7.659 ( -1.232 -10.905 -6.148) 12.579 8.297 ( -1.040 4.697 5.606) 7.387 8.440 ( 2.325 3.668 -2.795) 5.164 8.536 ( -0.931 10.612 0.168) 10.654 8.738 ( 1.505 7.419 -13.701) 15.653 9.467 ( -3.670 3.241 11.297) 12.312 9.530 ( 2.328 0.308 2.451) 3.394 9.657 ( 3.060 -3.248 -6.262) 7.689 9.727 ( -3.806 1.268 7.989) 8.939 9.924 ( 3.892 -4.350 2.446) 6.329 10.132 ( 3.931 -3.075 -15.944) 16.707 11.024 ( 1.545 9.147 6.646) 11.412 11.084 ( 4.118 11.338 -5.152) 13.117 11.504 ( -1.007 1.010 16.260) 16.322 11.857 ( 1.414 0.166 -12.253) 12.336 12.189 ( 10.437 -11.860 9.173) 18.268 12.261 ( -0.357 -0.323 2.804) 2.845 12.354 ( 0.577 -1.068 -5.686) 5.814 12.649 ( 6.280 7.299 -0.694) 9.654 12.795 ( 0.735 -7.235 3.361) 8.011 13.059 ( 2.371 -1.630 -1.618) 3.301 13.354 ( -15.828 -1.021 -1.950) 15.980 13.585 ( -17.167 -1.679 -6.442) 18.412 14.135 ( 3.603 2.790 -0.709) 4.612 14.352 ( -6.314 10.023 -5.270) 12.965 15.578 ( 3.815 -1.832 2.173) 4.757 15.690 ( 1.928 -6.338 2.812) 7.197 16.016 ( 15.010 7.671 7.311) 18.374 16.310 ( 12.246 5.028 -1.287) 13.300 16.711 ( -8.122 2.975 -4.989) 9.986 16.884 ( -15.200 -0.926 -2.738) 15.472 18.169 ( -4.522 1.432 13.141) 13.971 18.412 ( 4.450 0.380 -19.668) 20.169 18.771 ( 9.026 -0.319 18.399) 20.497 19.502 ( 2.320 -15.397 -8.438) 17.710 19.716 ( -0.901 -0.275 -0.584) 1.108 20.023 ( 3.540 5.159 -12.455) 13.938 20.143 ( -1.057 -2.225 -6.556) 7.003 20.367 ( -7.329 -3.525 11.482) 14.070 21.800 ( -1.799 -0.028 7.197) 7.419 21.914 ( -0.692 -0.646 -3.258) 3.393 22.046 ( 0.677 -0.744 6.578) 6.655 22.136 ( 3.067 2.016 -3.709) 5.218 ======================= Grid point 203 (105/125) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 4.318 9.987 13.444) 17.295 1.694 ( -5.448 6.145 -10.347) 13.210 2.194 ( 2.536 5.278 19.918) 20.761 2.492 ( 0.326 -4.353 -6.607) 7.919 2.581 ( -0.907 -0.097 -0.164) 0.926 2.737 ( -1.390 -1.240 -17.786) 17.883 3.272 ( 0.856 2.145 5.905) 6.341 3.395 ( -1.896 2.882 -6.936) 7.746 3.669 ( -7.306 9.382 18.244) 21.777 3.979 ( 8.409 10.411 -11.296) 17.513 4.086 ( 2.719 15.697 22.402) 27.489 4.300 ( -1.164 -10.299 0.122) 10.365 4.378 ( 5.222 -7.997 6.200) 11.387 4.465 ( -6.984 -3.665 0.844) 7.933 4.516 ( -5.157 -7.923 3.374) 10.038 4.799 ( 1.131 8.701 -17.479) 19.558 4.865 ( -2.874 -2.657 4.392) 5.883 4.992 ( 3.628 -0.487 -8.076) 8.867 5.283 ( 0.180 -0.674 9.488) 9.513 5.307 ( 2.154 2.374 6.858) 7.570 5.523 ( -1.236 4.181 -0.348) 4.374 5.634 ( -0.914 2.393 -11.547) 11.828 6.162 ( -2.888 6.142 4.811) 8.319 6.241 ( 3.790 4.623 -2.665) 6.545 6.465 ( -1.954 -6.775 8.901) 11.355 6.686 ( 3.880 -3.345 -11.092) 12.218 7.066 ( -5.106 -2.909 14.420) 15.571 7.320 ( 3.282 -10.321 -11.325) 15.670 7.349 ( -1.245 -1.995 4.202) 4.815 7.503 ( 4.873 1.558 -10.584) 11.756 8.440 ( -1.446 7.612 5.739) 9.642 8.530 ( -0.746 5.553 -3.459) 6.585 8.756 ( 0.238 10.273 1.951) 10.459 8.891 ( -0.391 9.845 -11.689) 15.288 9.503 ( -2.071 1.514 8.595) 8.969 9.556 ( -0.612 -4.068 11.458) 12.174 9.622 ( 0.767 -0.921 -5.058) 5.198 9.730 ( -1.280 3.408 -0.698) 3.706 9.933 ( 2.805 0.028 0.378) 2.831 10.047 ( 0.125 -3.813 -10.896) 11.544 11.255 ( -2.595 10.611 8.648) 13.933 11.381 ( 0.357 12.322 -3.468) 12.806 11.594 ( 1.197 2.990 12.123) 12.544 11.845 ( 0.919 0.017 -11.800) 11.836 12.052 ( -1.361 -11.703 11.409) 16.401 12.234 ( 0.562 -4.202 -6.122) 7.447 12.400 ( 0.745 -2.180 3.306) 4.029 12.468 ( -1.459 -0.194 -3.289) 3.603 13.008 ( -0.167 0.054 3.727) 3.732 13.071 ( -2.328 -0.857 -2.755) 3.707 13.190 ( 8.752 1.675 5.630) 10.540 13.311 ( -7.713 0.993 -5.822) 9.714 14.295 ( 4.919 5.372 4.070) 8.344 14.410 ( -5.905 10.474 -8.636) 14.804 15.545 ( -0.267 -8.149 1.856) 8.362 15.590 ( 3.129 -6.495 -2.715) 7.704 16.443 ( 8.736 6.729 7.076) 13.102 16.560 ( -4.922 7.487 -5.095) 10.307 16.608 ( -12.515 3.592 6.079) 14.369 16.720 ( 6.405 3.675 -5.463) 9.186 18.166 ( -4.847 3.991 12.638) 14.112 18.439 ( 4.448 -0.039 -13.929) 14.622 18.924 ( 5.020 -3.586 11.219) 12.804 19.180 ( -1.782 -9.536 -13.182) 16.367 19.758 ( 2.571 0.507 5.044) 5.684 19.906 ( -5.255 0.726 -10.139) 11.443 20.139 ( -8.483 -5.302 5.283) 11.313 20.256 ( 11.752 -7.455 -6.913) 15.539 21.797 ( -0.897 -0.114 6.573) 6.634 21.886 ( 0.314 -0.777 -2.566) 2.699 22.054 ( -1.680 0.075 7.782) 7.961 22.181 ( 0.930 0.021 -5.745) 5.820 ======================= Grid point 204 (106/125) ======================= q-point: ( 0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 8.842 9.427 -3.510) 13.393 1.774 ( 17.606 1.986 8.623) 19.704 2.332 ( 6.115 1.863 14.639) 15.974 2.460 ( -1.181 -1.941 -10.851) 11.086 2.599 ( 2.799 3.357 3.082) 5.348 2.682 ( 1.653 -3.641 -11.941) 12.593 3.300 ( -1.790 1.504 7.432) 7.792 3.348 ( -2.084 2.246 -3.743) 4.837 3.594 ( -5.547 7.758 13.341) 16.399 4.043 ( 2.968 9.040 -15.196) 17.929 4.149 ( -5.769 11.045 16.779) 20.900 4.225 ( -4.755 -14.579 -1.629) 15.421 4.278 ( -5.166 2.246 3.975) 6.895 4.413 ( -4.131 -1.755 6.444) 7.853 4.542 ( 3.053 -7.129 6.355) 10.027 4.755 ( 0.368 13.745 -16.963) 21.836 4.892 ( 2.392 -5.312 7.788) 9.726 5.090 ( 7.797 0.634 -6.054) 9.892 5.292 ( 0.027 -0.133 6.500) 6.501 5.418 ( 5.230 -0.536 0.036) 5.257 5.547 ( 2.750 4.642 3.344) 6.348 5.617 ( 2.633 2.649 -7.411) 8.299 6.077 ( -5.320 7.438 3.404) 9.758 6.332 ( 4.644 0.921 -4.608) 6.607 6.413 ( -4.288 -6.057 5.433) 9.197 6.728 ( 3.625 -2.863 -11.094) 12.017 7.027 ( -4.150 -0.001 14.919) 15.485 7.349 ( 2.975 -9.281 -9.007) 13.271 7.361 ( 1.669 -5.692 2.822) 6.568 7.563 ( 5.345 2.330 -13.250) 14.476 8.427 ( -2.082 7.025 6.466) 9.772 8.497 ( -1.708 6.321 -1.023) 6.627 8.719 ( -4.601 9.671 0.950) 10.752 8.865 ( 1.428 9.957 -6.815) 12.150 9.480 ( -3.321 -1.670 3.409) 5.044 9.531 ( -3.696 4.169 13.470) 14.577 9.630 ( -1.979 -6.295 0.982) 6.671 9.731 ( 2.402 2.087 -2.884) 4.294 9.959 ( 0.568 1.572 -2.907) 3.354 10.006 ( -0.504 -4.160 -9.421) 10.311 11.197 ( -6.171 10.835 7.366) 14.482 11.353 ( -2.283 10.699 0.974) 10.983 11.616 ( -3.446 3.033 6.826) 8.226 11.828 ( 2.081 0.861 -11.889) 12.100 11.971 ( -8.955 -7.640 10.249) 15.608 12.234 ( 1.169 -4.819 -4.329) 6.583 12.310 ( -4.076 -1.411 0.539) 4.347 12.610 ( 8.400 -2.007 1.946) 8.853 12.801 ( -11.210 -0.411 0.001) 11.217 13.127 ( -3.907 0.871 -5.621) 6.900 13.271 ( 13.223 -1.267 3.689) 13.786 13.500 ( 15.073 1.587 3.607) 15.579 14.258 ( -5.131 8.258 -4.515) 10.719 14.451 ( 7.636 8.493 3.542) 11.957 15.525 ( -1.173 -7.143 -1.113) 7.324 15.620 ( -0.119 -9.042 -5.272) 10.467 16.318 ( -14.066 9.914 -4.786) 17.862 16.377 ( -10.747 6.834 4.598) 13.540 16.621 ( 4.298 2.744 9.332) 10.634 16.907 ( 10.944 1.433 -2.731) 11.370 18.127 ( -3.857 6.060 13.803) 15.561 18.482 ( 5.167 0.211 -14.780) 15.658 19.018 ( 0.438 -5.955 3.429) 6.886 19.084 ( -2.683 -5.655 -10.388) 12.128 19.736 ( -2.689 0.848 -0.502) 2.864 19.927 ( 2.402 0.066 1.687) 2.935 19.997 ( -3.604 -3.568 3.177) 5.984 20.431 ( 9.081 -10.476 -9.491) 16.802 21.812 ( 0.176 -0.635 6.131) 6.166 21.893 ( 1.233 -0.702 -1.922) 2.389 22.031 ( -3.418 0.487 7.468) 8.227 22.157 ( -1.371 0.236 -4.940) 5.132 ======================= Grid point 205 (107/125) ======================= q-point: ( 0.29 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 9.241 9.152 -0.134) 13.006 2.170 ( 18.229 -6.930 7.823) 21.012 2.384 ( -1.938 -1.584 -13.144) 13.381 2.515 ( 8.529 -1.357 7.940) 11.731 2.695 ( 4.280 6.435 7.579) 10.825 2.718 ( 5.533 -4.342 -8.305) 10.883 3.238 ( -6.024 1.471 10.469) 12.168 3.265 ( -6.024 3.374 0.863) 6.959 3.558 ( -2.863 5.759 3.619) 7.379 3.950 ( -6.464 10.993 -11.899) 17.442 4.122 ( -2.405 7.089 13.604) 15.528 4.179 ( 1.901 -13.945 3.372) 14.472 4.250 ( 0.018 0.124 -2.878) 2.880 4.380 ( -1.662 8.385 8.225) 11.862 4.605 ( 1.556 -6.225 0.909) 6.480 4.709 ( -0.399 13.957 -10.850) 17.682 4.941 ( 0.372 -6.764 6.206) 9.187 5.180 ( 2.841 3.270 -2.685) 5.096 5.352 ( 2.649 2.388 6.827) 7.703 5.474 ( 3.269 -0.064 -10.497) 10.995 5.623 ( 1.103 3.893 6.058) 7.285 5.642 ( 2.402 0.464 1.332) 2.786 6.037 ( 0.785 5.337 0.500) 5.418 6.302 ( -4.065 -7.930 -1.509) 9.038 6.429 ( 2.537 2.814 -0.969) 3.911 6.719 ( -0.603 -1.129 -12.065) 12.132 7.033 ( -0.317 4.000 15.426) 15.940 7.370 ( 2.140 -10.213 -5.333) 11.718 7.417 ( 3.197 -7.911 -0.132) 8.534 7.594 ( 2.599 3.739 -14.567) 15.262 8.416 ( -0.825 7.504 4.186) 8.633 8.463 ( -1.830 6.322 1.111) 6.675 8.651 ( -2.643 8.541 5.479) 10.486 8.875 ( 1.515 9.374 -5.865) 11.161 9.424 ( -2.580 -2.988 0.429) 3.971 9.489 ( -6.384 3.393 5.979) 9.381 9.585 ( -2.600 -5.936 11.530) 13.226 9.765 ( 1.005 1.378 0.200) 1.717 9.929 ( -2.115 -1.715 -6.886) 7.404 9.986 ( 2.342 -0.158 -10.832) 11.083 11.098 ( -6.448 10.125 7.737) 14.281 11.313 ( -2.174 10.575 -0.718) 10.820 11.523 ( -7.153 0.439 6.520) 9.689 11.805 ( -2.511 -3.166 -9.034) 9.897 11.898 ( -0.173 1.964 7.174) 7.440 12.213 ( -3.264 -5.511 -3.786) 7.441 12.285 ( 1.329 -1.118 3.388) 3.807 12.620 ( -6.587 2.436 -0.706) 7.058 12.761 ( 6.183 -5.630 0.643) 8.387 13.067 ( -1.250 1.108 -6.222) 6.442 13.544 ( 12.886 -2.686 6.273) 14.582 13.763 ( 11.301 -0.381 2.311) 11.541 14.186 ( -0.315 9.072 -2.051) 9.306 14.609 ( 6.569 10.031 4.552) 12.826 15.450 ( -6.893 -9.677 -8.429) 14.567 15.567 ( -1.968 -6.434 -2.392) 7.141 16.067 ( -10.096 11.285 -2.763) 15.392 16.213 ( -8.425 7.943 2.289) 11.803 16.735 ( 4.594 0.159 12.473) 13.293 17.066 ( 6.756 -1.436 -2.926) 7.501 18.123 ( -1.703 8.074 15.157) 17.257 18.526 ( 4.857 1.389 -14.947) 15.778 18.915 ( -4.006 -0.081 -17.151) 17.612 19.043 ( -5.735 -7.298 4.959) 10.523 19.726 ( 1.885 -0.601 0.220) 1.990 19.874 ( -2.284 -2.562 1.899) 3.923 20.100 ( 5.702 -1.889 6.727) 9.019 20.520 ( 4.366 -11.120 -11.800) 16.791 21.843 ( 0.790 -1.143 5.891) 6.052 21.912 ( 0.727 -0.868 0.741) 1.353 21.988 ( -2.823 1.446 4.652) 5.631 22.106 ( -2.267 0.518 -4.001) 4.627 ======================= Grid point 206 (108/125) ======================= q-point: ( 0.43 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 4.606 7.029 5.929) 10.285 2.263 ( -4.800 -0.082 -11.553) 12.510 2.481 ( 8.599 -13.320 7.854) 17.693 2.653 ( 4.372 -4.526 0.549) 6.317 2.726 ( -2.205 0.403 4.310) 4.858 2.809 ( 3.942 -4.777 -5.463) 8.259 3.193 ( -0.465 8.469 7.726) 11.474 3.269 ( 6.194 8.060 11.126) 15.070 3.485 ( -3.927 6.166 -4.435) 8.550 3.754 ( -10.379 11.542 -11.528) 19.335 4.119 ( -3.004 6.312 16.833) 18.226 4.234 ( 0.455 -3.409 8.141) 8.837 4.347 ( 7.538 7.801 -4.866) 11.890 4.386 ( 1.795 -3.403 6.867) 7.871 4.583 ( -4.419 -7.481 -3.046) 9.207 4.645 ( -1.152 9.428 -11.451) 14.877 5.000 ( 4.262 -2.394 5.416) 7.296 5.175 ( -2.394 3.363 -1.011) 4.250 5.378 ( -2.095 1.501 4.862) 5.503 5.486 ( 2.012 1.635 -10.461) 10.778 5.625 ( -0.741 3.209 9.863) 10.398 5.725 ( 3.484 0.736 -0.522) 3.599 6.087 ( 3.450 1.370 0.897) 3.819 6.226 ( -3.123 -5.914 -2.369) 7.095 6.441 ( -1.651 2.532 1.813) 3.525 6.646 ( -1.458 0.985 -13.249) 13.365 7.104 ( 1.484 6.688 14.918) 16.416 7.392 ( 1.897 -11.635 -4.943) 12.783 7.462 ( 1.443 -9.148 -0.270) 9.265 7.559 ( -0.790 6.370 -14.048) 15.445 8.420 ( -0.490 6.565 3.274) 7.353 8.455 ( 1.302 7.488 -0.772) 7.639 8.664 ( 0.835 8.382 9.387) 12.612 8.874 ( 0.869 8.290 -7.517) 11.224 9.365 ( -6.748 -3.679 3.874) 8.607 9.408 ( 1.729 -3.667 -3.358) 5.264 9.612 ( -0.528 -2.568 16.970) 17.171 9.762 ( -2.129 2.548 4.716) 5.768 9.853 ( -2.945 0.013 -6.904) 7.506 10.007 ( 4.644 -0.679 -16.931) 17.570 11.032 ( -3.603 8.965 10.379) 14.180 11.259 ( -1.648 11.804 -8.084) 14.401 11.458 ( -2.988 -2.280 13.876) 14.376 11.720 ( -3.180 -2.711 -5.156) 6.636 11.957 ( 3.507 2.277 2.810) 5.038 12.124 ( -3.662 -2.229 -4.033) 5.886 12.347 ( 3.348 -1.446 4.452) 5.755 12.521 ( -3.710 -0.012 -3.941) 5.412 12.866 ( 4.379 -3.848 2.073) 6.187 13.013 ( -2.520 0.646 -5.844) 6.397 13.742 ( 5.354 -3.603 7.068) 9.571 13.896 ( 2.271 -3.411 -2.319) 4.708 14.296 ( 12.358 11.265 3.831) 17.155 14.631 ( -6.996 9.649 -1.147) 11.974 15.338 ( 1.281 -6.073 -4.370) 7.591 15.484 ( -7.324 -7.239 -3.838) 10.990 15.969 ( 0.326 11.594 0.995) 11.641 16.072 ( -6.792 9.118 -0.276) 11.373 16.875 ( 5.312 -3.849 12.511) 14.126 17.128 ( 1.244 -2.569 -5.334) 6.050 18.168 ( 0.552 9.112 16.335) 18.713 18.550 ( 2.964 3.503 -16.907) 17.518 18.834 ( 1.888 -0.707 -11.997) 12.165 18.881 ( -11.006 -3.359 0.573) 11.521 19.803 ( 5.242 -2.400 0.518) 5.789 19.854 ( -1.439 -3.309 1.016) 3.749 20.207 ( 2.650 -3.321 9.913) 10.786 20.519 ( 0.337 -10.170 -13.605) 16.990 21.869 ( -0.948 -1.496 6.701) 6.931 21.916 ( -0.951 -0.168 6.917) 6.984 21.978 ( 1.247 1.337 -2.761) 3.311 22.055 ( -1.555 0.810 -3.443) 3.863 ======================= Grid point 207 (109/125) ======================= q-point: (-0.43 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -1.122 6.368 10.828) 12.612 2.084 ( -11.099 2.442 -4.855) 12.358 2.483 ( -9.194 -6.022 7.434) 13.268 2.667 ( -2.628 -7.277 -1.714) 7.925 2.744 ( 0.936 -5.300 0.038) 5.382 2.863 ( 6.854 -5.869 -7.776) 11.912 3.302 ( 5.354 7.598 5.085) 10.595 3.383 ( 1.045 11.560 -6.596) 13.350 3.491 ( 3.072 7.031 8.086) 11.147 3.535 ( -2.581 8.961 -4.673) 10.431 4.111 ( -4.372 7.345 14.991) 17.257 4.221 ( -7.833 16.673 17.594) 25.473 4.356 ( 2.568 -5.556 -4.813) 7.786 4.407 ( -9.829 -9.247 -4.331) 14.173 4.557 ( 8.108 2.539 -1.444) 8.618 4.667 ( 6.172 -1.131 -9.319) 11.235 5.070 ( -1.820 1.972 0.961) 2.851 5.131 ( 0.961 -0.995 -0.162) 1.393 5.330 ( -4.529 -1.094 5.923) 7.536 5.490 ( 1.410 2.835 -6.843) 7.540 5.648 ( -0.856 1.115 8.425) 8.541 5.769 ( 2.751 3.036 -4.953) 6.428 6.088 ( -4.517 -2.612 1.317) 5.381 6.219 ( 3.489 -0.174 -1.639) 3.859 6.384 ( -5.183 1.529 6.738) 8.637 6.619 ( 3.041 1.332 -10.537) 11.048 7.162 ( -0.991 6.271 14.856) 16.156 7.391 ( 0.094 -7.483 -9.940) 12.442 7.460 ( -1.364 -7.567 -1.781) 7.893 7.495 ( -1.322 1.660 -6.819) 7.141 8.424 ( 0.426 6.181 1.182) 6.307 8.483 ( 1.353 8.176 -1.918) 8.506 8.719 ( 1.351 8.873 6.963) 11.359 8.866 ( 1.765 7.499 -8.838) 11.724 9.306 ( -0.793 -6.082 5.218) 8.053 9.472 ( 6.622 -4.384 -6.388) 10.192 9.647 ( -3.709 -0.738 17.101) 17.514 9.733 ( -0.995 2.432 4.510) 5.219 9.799 ( -1.013 1.391 -2.382) 2.938 10.038 ( 5.116 -1.241 -19.124) 19.836 11.042 ( 0.370 8.597 13.540) 16.043 11.225 ( 1.625 11.897 -9.593) 15.369 11.485 ( -0.083 -1.334 14.279) 14.342 11.669 ( -0.189 -4.182 -3.138) 5.232 11.986 ( -2.113 -0.568 1.472) 2.636 12.119 ( 5.280 1.095 -3.805) 6.600 12.424 ( 0.953 0.278 2.585) 2.769 12.449 ( -0.048 -2.198 -2.853) 3.601 12.906 ( -3.250 -0.033 -0.534) 3.294 12.962 ( 1.416 -2.462 -2.135) 3.553 13.795 ( -2.223 -3.732 6.025) 7.428 13.856 ( -4.827 -3.305 -3.040) 6.593 14.373 ( -12.308 9.168 -2.771) 15.595 14.623 ( 15.111 10.594 -0.936) 18.478 15.294 ( -8.885 -6.410 -0.186) 10.957 15.446 ( 7.085 -5.164 -0.076) 8.767 15.977 ( -2.437 9.985 0.240) 10.281 16.060 ( 7.747 10.725 1.151) 13.280 16.985 ( 1.636 -5.335 8.851) 10.463 17.082 ( -3.086 -2.187 -8.353) 9.169 18.231 ( -0.371 7.895 15.266) 17.190 18.523 ( 1.362 4.274 -19.514) 20.023 18.693 ( -7.947 -0.119 2.592) 8.360 18.929 ( 10.220 -3.740 -4.621) 11.823 19.807 ( -3.637 -3.325 -0.495) 4.952 19.886 ( 3.490 -2.583 -2.065) 4.808 20.263 ( -0.729 -5.500 11.715) 12.963 20.451 ( -2.286 -7.545 -13.832) 15.921 21.849 ( -3.096 -0.416 7.923) 8.517 21.940 ( 0.318 -0.806 4.995) 5.070 21.982 ( -0.031 1.035 -1.752) 2.035 22.049 ( 2.559 0.849 -3.931) 4.767 ======================= Grid point 208 (110/125) ======================= q-point: (-0.29 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -17.180 9.003 2.221) 19.523 2.056 ( -1.965 5.729 17.745) 18.750 2.271 ( -14.270 -4.975 -1.933) 15.236 2.607 ( -3.182 -6.821 -1.445) 7.664 2.688 ( -5.042 0.765 -3.742) 6.325 2.918 ( 0.535 -0.521 -13.640) 13.660 3.252 ( -2.837 0.758 -0.782) 3.038 3.445 ( 5.637 5.293 -7.698) 10.912 3.581 ( 8.551 9.852 4.109) 13.677 3.680 ( 5.683 4.277 11.231) 13.294 4.038 ( -8.983 12.286 19.023) 24.362 4.142 ( -3.147 11.999 10.051) 15.966 4.266 ( -1.878 -9.787 -4.288) 10.849 4.414 ( 2.996 -1.370 1.070) 3.463 4.660 ( 4.694 2.628 -5.514) 7.703 4.742 ( 3.013 -3.317 -5.880) 7.393 5.017 ( -1.117 -3.651 -1.460) 4.088 5.124 ( -3.962 0.121 0.593) 4.008 5.268 ( -4.160 -0.924 7.778) 8.869 5.454 ( -4.073 3.649 -4.770) 7.256 5.640 ( -2.703 -0.080 4.504) 5.254 5.777 ( 0.039 0.702 -9.405) 9.432 6.033 ( -0.108 3.756 1.208) 3.947 6.286 ( 3.832 -1.423 1.578) 4.382 6.329 ( -3.408 3.117 8.856) 9.988 6.658 ( 3.304 -1.146 -6.633) 7.498 7.163 ( -4.264 2.531 14.850) 15.656 7.336 ( -0.169 -0.768 -15.576) 15.596 7.421 ( -2.514 -8.234 0.734) 8.641 7.466 ( -0.296 -3.127 -2.727) 4.160 8.443 ( 0.806 8.015 -0.167) 8.057 8.493 ( 1.316 6.343 -1.300) 6.607 8.745 ( 0.131 8.780 0.627) 8.803 8.889 ( 3.644 8.236 -9.407) 13.023 9.361 ( 4.013 -6.331 5.913) 9.548 9.565 ( 0.652 -3.518 -1.752) 3.984 9.610 ( 0.306 4.018 5.738) 7.012 9.760 ( -0.269 1.719 7.035) 7.247 9.796 ( 1.378 -1.067 1.744) 2.465 10.063 ( 4.027 -1.922 -17.146) 17.717 11.130 ( 3.507 9.124 14.397) 17.402 11.258 ( 5.115 12.326 -8.711) 15.936 11.520 ( -0.935 2.350 10.426) 10.729 11.718 ( 5.901 -8.389 0.607) 10.274 11.948 ( -1.497 -0.237 0.812) 1.720 12.213 ( 4.416 -0.499 -1.823) 4.803 12.363 ( -2.501 -2.484 -5.213) 6.293 12.558 ( 7.493 -0.227 4.831) 8.919 12.801 ( -5.906 0.418 -3.157) 6.710 12.997 ( 1.547 -1.337 0.883) 2.227 13.640 ( -13.650 -1.584 -3.534) 14.188 13.746 ( -8.272 -3.694 3.881) 9.856 14.201 ( -3.560 7.101 -2.988) 8.487 14.742 ( -2.966 12.035 -9.937) 15.887 15.286 ( 7.618 -8.819 8.456) 14.398 15.544 ( 3.036 -5.312 0.107) 6.119 16.006 ( 5.316 10.908 3.825) 12.723 16.239 ( 10.710 9.416 -0.256) 14.263 16.938 ( -6.225 2.039 -5.081) 8.290 17.008 ( -4.357 -5.590 -0.452) 7.101 18.242 ( -2.972 4.443 11.671) 12.837 18.466 ( -1.050 2.086 -14.379) 14.568 18.660 ( 2.746 3.324 5.649) 7.107 19.125 ( 10.198 -8.882 -3.368) 13.936 19.734 ( -3.094 -2.128 -1.152) 3.928 19.930 ( 3.373 -2.151 -3.789) 5.510 20.238 ( -5.188 -6.180 1.994) 8.312 20.359 ( -3.671 -4.755 -4.213) 7.337 21.820 ( -2.733 0.087 7.527) 8.008 21.929 ( -1.297 -0.824 -2.056) 2.567 22.005 ( 1.072 0.710 5.966) 6.103 22.102 ( 4.183 0.364 -4.740) 6.332 ======================= Grid point 209 (111/125) ======================= q-point: (-0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -13.208 12.386 9.270) 20.342 1.950 ( -16.587 1.053 -6.861) 17.981 2.103 ( -0.060 6.389 19.696) 20.707 2.527 ( -2.743 -5.363 -5.226) 7.974 2.614 ( -2.052 -0.894 -1.623) 2.765 2.832 ( -2.081 1.483 -18.673) 18.847 3.248 ( 0.010 -1.286 4.689) 4.862 3.463 ( -1.201 3.543 -8.630) 9.407 3.706 ( -1.659 9.161 17.983) 20.250 3.822 ( 10.182 7.761 -5.445) 13.913 3.987 ( -2.120 16.455 21.796) 27.392 4.214 ( 6.577 -0.920 7.618) 10.106 4.278 ( 3.045 -6.987 -2.091) 7.904 4.470 ( 1.673 -3.395 5.275) 6.492 4.650 ( -4.815 -9.646 -1.854) 10.940 4.784 ( 6.087 7.760 -15.794) 18.621 4.988 ( -8.969 -2.592 3.056) 9.824 5.006 ( -1.582 -3.392 -4.334) 5.726 5.246 ( -1.268 0.617 10.697) 10.789 5.334 ( -5.579 4.221 -0.333) 7.004 5.582 ( -4.001 1.442 0.389) 4.270 5.711 ( -2.781 0.818 -10.377) 10.774 6.092 ( 5.095 4.783 1.027) 7.063 6.275 ( -3.781 7.431 3.062) 8.882 6.400 ( 4.685 -5.284 8.187) 10.812 6.677 ( 1.360 -3.278 -7.605) 8.392 7.117 ( -5.522 -1.695 14.580) 15.682 7.307 ( 2.450 -4.896 -14.087) 15.114 7.375 ( -2.908 -4.760 3.865) 6.786 7.467 ( 2.105 -1.209 -6.498) 6.937 8.445 ( -0.614 8.792 2.385) 9.131 8.529 ( 2.096 4.862 -2.229) 5.745 8.742 ( 0.220 9.565 -0.822) 9.602 8.915 ( 2.323 9.354 -11.255) 14.818 9.470 ( 4.828 -6.648 6.327) 10.370 9.524 ( -3.516 1.473 8.481) 9.298 9.645 ( 0.144 3.234 -2.363) 4.008 9.757 ( -1.290 1.720 1.452) 2.595 9.860 ( 3.907 -2.021 3.053) 5.354 10.068 ( 2.029 -2.810 -13.472) 13.911 11.231 ( 1.590 9.935 11.411) 15.213 11.340 ( 5.767 12.896 -7.502) 15.995 11.539 ( -0.448 2.846 12.210) 12.545 11.838 ( 5.186 -4.267 -7.560) 10.112 11.965 ( 2.955 -7.020 9.492) 12.170 12.248 ( 0.404 -2.666 -3.675) 4.558 12.331 ( 1.408 -0.378 -2.404) 2.811 12.620 ( -7.501 -5.727 0.624) 9.458 12.802 ( 11.526 4.243 0.317) 12.286 13.039 ( 3.269 0.107 2.660) 4.216 13.343 ( -15.692 0.115 -3.661) 16.114 13.547 ( -13.013 -2.084 -0.662) 13.196 14.203 ( 3.104 4.953 1.197) 5.967 14.578 ( -8.104 11.096 -10.256) 17.146 15.467 ( 6.664 -8.946 4.593) 12.064 15.575 ( 0.642 -5.745 -0.148) 5.783 16.199 ( 12.355 10.227 7.396) 17.662 16.441 ( 11.086 7.787 -2.053) 13.702 16.793 ( -7.240 4.616 -5.681) 10.296 16.858 ( -11.128 -1.605 -0.194) 11.245 18.213 ( -4.251 2.925 11.291) 12.414 18.423 ( 1.740 0.691 -12.682) 12.819 18.779 ( 6.178 1.297 9.444) 11.360 19.222 ( 2.044 -11.839 -8.150) 14.517 19.708 ( 0.580 -0.768 0.844) 1.280 20.035 ( 8.697 -3.516 -5.117) 10.686 20.093 ( -7.027 -2.432 -7.961) 10.894 20.276 ( -6.184 -5.201 4.940) 9.471 21.801 ( -1.929 0.149 7.009) 7.271 21.900 ( -0.788 -0.747 -2.676) 2.888 22.041 ( 0.187 0.166 7.212) 7.217 22.159 ( 3.436 0.093 -5.505) 6.490 ======================= Grid point 210 (112/125) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.156 12.716 6.065) 14.089 1.856 ( -1.447 8.361 -9.297) 12.588 2.292 ( 2.134 4.367 10.411) 11.489 2.428 ( -1.303 -1.117 -3.980) 4.334 2.618 ( 2.251 4.525 2.969) 5.862 2.770 ( -3.775 3.570 -12.843) 13.854 3.302 ( 2.801 1.143 5.901) 6.631 3.407 ( -3.537 -1.042 -4.761) 6.022 3.829 ( -5.050 0.486 8.618) 10.000 3.883 ( 4.006 -13.839 0.594) 14.419 4.022 ( 0.997 -9.960 8.040) 12.839 4.244 ( -1.270 -1.600 -10.556) 10.752 4.316 ( 2.256 2.782 7.421) 8.240 4.455 ( -1.662 3.829 -6.607) 7.815 4.672 ( -3.388 7.043 15.625) 17.470 4.778 ( -5.773 2.494 9.439) 11.342 4.890 ( 3.270 -1.550 -2.052) 4.160 5.048 ( 4.882 6.649 -7.738) 11.310 5.275 ( -0.617 0.169 10.525) 10.544 5.446 ( -0.487 4.830 -6.021) 7.734 5.583 ( 1.193 5.007 4.514) 6.846 5.716 ( 0.353 8.313 -9.416) 12.565 6.222 ( 0.496 0.339 2.734) 2.799 6.309 ( -1.914 -0.979 -5.637) 6.033 6.352 ( -1.716 -1.726 10.653) 10.928 6.610 ( 4.511 -4.179 -13.319) 14.670 6.906 ( -2.799 -9.463 9.442) 13.658 7.061 ( 2.236 -13.220 -6.699) 14.988 7.417 ( -2.078 5.694 7.804) 9.882 7.567 ( 3.320 2.572 -6.292) 7.564 8.585 ( -1.532 6.249 1.889) 6.706 8.635 ( 0.210 4.473 -2.901) 5.335 8.940 ( 0.533 8.011 2.666) 8.460 9.071 ( -0.548 7.763 -10.420) 13.006 9.409 ( 1.336 -6.625 9.004) 11.259 9.501 ( -2.521 -2.019 -0.787) 3.324 9.689 ( -2.337 4.224 2.520) 5.445 9.800 ( 2.172 3.029 -5.267) 6.453 9.915 ( 0.532 -1.415 2.557) 2.970 10.009 ( 0.588 -0.421 -4.767) 4.822 11.420 ( -1.823 5.353 13.011) 14.187 11.580 ( -1.316 6.331 -0.184) 6.469 11.666 ( 0.845 4.040 5.449) 6.836 11.805 ( 3.203 -3.829 -2.740) 5.694 11.905 ( -1.512 -1.633 3.971) 4.552 12.106 ( 0.237 -7.240 -11.093) 13.248 12.412 ( -1.818 2.232 4.453) 5.302 12.476 ( 1.939 0.472 -2.376) 3.103 13.023 ( 3.266 1.754 2.926) 4.723 13.083 ( -7.496 1.846 -2.831) 8.223 13.201 ( 5.761 -0.675 4.506) 7.345 13.299 ( -3.550 -1.902 -4.862) 6.314 14.446 ( 4.970 9.764 8.298) 13.744 14.626 ( -4.845 10.684 -10.654) 15.847 15.341 ( 1.510 -11.675 3.447) 12.267 15.420 ( 0.136 -10.060 -4.580) 11.055 16.574 ( 5.239 6.106 7.774) 11.187 16.665 ( -7.180 3.601 2.359) 8.372 16.724 ( -7.432 6.196 -1.106) 9.739 16.794 ( 6.398 3.232 -4.577) 8.505 18.263 ( -2.011 5.498 8.492) 10.315 18.442 ( 3.007 0.202 -8.104) 8.646 18.883 ( 2.630 -0.595 2.201) 3.481 19.026 ( 0.890 -5.881 -10.504) 12.071 19.760 ( 4.003 0.060 5.290) 6.634 19.900 ( -4.958 -0.967 -8.287) 9.705 20.021 ( -2.905 -6.176 2.693) 7.337 20.103 ( 3.743 -7.222 -5.687) 9.925 21.801 ( -1.104 0.505 5.796) 5.922 21.866 ( -0.153 -1.152 -0.587) 1.302 22.063 ( -1.004 0.891 5.585) 5.744 22.164 ( 0.966 -1.544 -4.611) 4.957 ======================= Grid point 211 (113/125) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 9.046 5.999 4.303) 11.676 1.892 ( 6.950 8.997 -3.393) 11.864 2.316 ( -1.050 -3.306 0.956) 3.598 2.450 ( 3.525 2.560 0.416) 4.376 2.654 ( 0.205 3.029 -2.646) 4.027 2.751 ( 5.798 7.708 -0.546) 9.660 3.223 ( -7.590 -5.373 1.072) 9.361 3.450 ( 4.061 6.041 1.626) 7.459 3.751 ( -4.614 -5.076 2.700) 7.371 3.870 ( -5.871 -6.005 7.453) 11.228 4.105 ( 5.745 -5.405 2.926) 8.413 4.182 ( -1.799 -4.218 -5.791) 7.387 4.303 ( -3.211 5.048 0.555) 6.008 4.465 ( 2.709 3.558 1.241) 4.641 4.674 ( -3.271 9.879 14.621) 17.946 4.759 ( -0.100 -1.650 8.685) 8.841 4.982 ( 6.119 0.651 -4.796) 7.802 5.090 ( 3.452 4.779 -9.581) 11.249 5.317 ( 1.544 0.108 8.717) 8.854 5.446 ( 2.193 1.202 -2.682) 3.667 5.636 ( 2.205 3.842 2.981) 5.339 5.706 ( 2.318 10.629 -10.100) 14.845 6.176 ( -5.350 2.055 6.178) 8.426 6.236 ( -4.622 -6.784 -1.264) 8.306 6.402 ( 4.362 1.929 1.186) 4.914 6.656 ( 4.439 -3.988 -12.843) 14.161 6.911 ( -0.352 -8.341 9.775) 12.855 7.092 ( 3.238 -13.334 -7.404) 15.592 7.414 ( -0.707 6.452 6.793) 9.396 7.621 ( 4.636 1.880 -7.297) 8.848 8.568 ( -1.092 6.530 3.159) 7.335 8.621 ( -0.786 5.314 -1.469) 5.569 8.901 ( -5.436 8.461 0.672) 10.079 9.040 ( 0.755 7.487 -5.110) 9.096 9.424 ( -4.462 -4.882 0.170) 6.616 9.447 ( -1.358 -6.518 7.323) 9.897 9.660 ( -1.922 4.912 1.711) 5.545 9.810 ( -1.317 4.764 1.841) 5.275 9.888 ( -0.773 -4.817 -4.196) 6.435 10.018 ( 1.009 1.138 -4.982) 5.209 11.392 ( -5.400 7.810 10.728) 14.327 11.519 ( -6.006 5.834 8.493) 11.926 11.665 ( -1.493 1.767 -5.808) 6.252 11.799 ( -1.736 -3.248 -5.782) 6.855 11.905 ( 0.305 0.296 6.283) 6.298 12.090 ( 1.084 -7.630 -7.544) 10.784 12.339 ( -4.602 3.434 1.891) 6.045 12.564 ( 4.871 -2.618 -1.196) 5.658 12.830 ( -10.075 3.092 2.224) 10.771 13.103 ( -3.288 -2.952 -1.914) 4.816 13.287 ( 12.336 2.678 2.726) 12.914 13.501 ( 14.376 -1.426 0.759) 14.467 14.467 ( -3.800 12.072 -5.141) 13.661 14.636 ( 7.754 9.962 3.824) 13.191 15.331 ( -2.861 -11.577 -2.042) 12.099 15.414 ( 0.202 -11.388 -2.231) 11.606 16.507 ( -8.780 7.463 -0.324) 11.528 16.527 ( -11.275 8.363 3.322) 14.426 16.682 ( 1.957 3.157 8.628) 9.394 16.917 ( 6.414 -0.767 -2.715) 7.007 18.266 ( -0.595 7.309 7.428) 10.438 18.483 ( 4.566 -0.140 -10.262) 11.233 18.933 ( 1.857 -2.300 0.837) 3.072 19.002 ( 0.197 -2.943 -12.340) 12.687 19.751 ( -3.482 0.904 -2.884) 4.611 19.891 ( -2.734 -3.175 0.295) 4.200 19.933 ( 2.158 -2.424 3.774) 4.978 20.210 ( 6.419 -10.957 -4.527) 13.482 21.808 ( -0.252 0.190 5.686) 5.694 21.872 ( 0.620 -1.348 0.786) 1.679 22.051 ( -1.998 1.472 4.478) 5.120 22.149 ( -0.892 -0.995 -4.297) 4.500 ======================= Grid point 212 (114/125) ======================= q-point: ( 0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 5.949 4.756 -1.697) 7.803 2.063 ( 9.584 -1.431 5.932) 11.362 2.273 ( -2.906 -7.555 -6.457) 10.355 2.522 ( 3.578 0.964 1.313) 3.931 2.692 ( 3.678 0.172 -2.060) 4.219 2.842 ( 0.173 6.857 1.133) 6.952 3.170 ( 4.605 -0.465 6.798) 8.224 3.494 ( -1.026 13.740 5.329) 14.773 3.718 ( 2.048 -15.428 -2.328) 15.737 3.768 ( -6.597 4.096 4.513) 8.981 4.131 ( -2.050 -3.554 7.598) 8.635 4.216 ( -0.335 9.098 -11.742) 14.858 4.289 ( 7.307 1.847 2.888) 8.071 4.532 ( 2.068 1.025 4.902) 5.418 4.628 ( -5.987 11.365 12.693) 18.059 4.794 ( -0.379 -3.876 9.850) 10.592 4.995 ( -0.617 10.327 -8.385) 13.317 5.164 ( 5.016 -5.516 -6.701) 10.024 5.379 ( 3.024 -1.241 2.752) 4.273 5.500 ( 3.258 -0.094 0.387) 3.283 5.653 ( -1.096 2.215 1.895) 3.114 5.737 ( 3.712 10.054 -8.100) 13.434 6.086 ( -6.311 -2.671 7.303) 10.014 6.174 ( -0.691 -2.290 -3.807) 4.496 6.484 ( 3.261 2.659 1.318) 4.410 6.668 ( 1.526 -3.338 -13.910) 14.386 6.960 ( 2.333 -8.635 8.562) 12.382 7.114 ( 1.197 -13.427 -5.369) 14.511 7.442 ( 1.293 7.672 6.013) 9.832 7.680 ( 4.255 2.978 -9.029) 10.417 8.569 ( 0.108 7.150 2.823) 7.688 8.598 ( -1.283 6.472 0.073) 6.599 8.810 ( -3.526 7.350 4.229) 9.184 9.040 ( 0.387 7.073 -4.050) 8.160 9.336 ( -4.092 -6.260 -2.852) 8.004 9.406 ( -5.518 -6.809 3.437) 9.414 9.621 ( -3.584 5.443 10.016) 11.949 9.786 ( -1.616 -0.892 4.886) 5.223 9.878 ( 0.809 -0.909 -6.700) 6.810 10.006 ( 0.738 0.606 -9.519) 9.567 11.300 ( -7.637 9.237 10.176) 15.723 11.445 ( -5.601 2.537 14.333) 15.596 11.578 ( -3.621 4.768 -12.530) 13.887 11.738 ( -1.560 -2.811 -8.655) 9.233 11.953 ( 1.918 2.049 5.759) 6.406 12.081 ( -0.147 -6.360 -3.333) 7.182 12.281 ( -1.732 1.120 1.796) 2.735 12.567 ( -4.060 -5.757 -3.371) 7.810 12.770 ( 2.299 4.620 5.462) 7.515 13.068 ( -0.026 -1.515 -4.039) 4.314 13.528 ( 10.693 1.364 5.399) 12.056 13.736 ( 9.860 -2.167 -0.759) 10.124 14.413 ( 1.233 12.859 -3.957) 13.510 14.803 ( 6.406 9.372 6.142) 12.907 15.229 ( -5.187 -12.188 -8.087) 15.519 15.400 ( -1.660 -9.667 0.024) 9.808 16.315 ( -8.865 12.353 -0.601) 15.217 16.380 ( -7.481 8.161 3.794) 11.703 16.739 ( 0.867 0.293 12.132) 12.167 17.005 ( 4.122 -4.691 -3.488) 7.153 18.293 ( 0.836 8.201 7.274) 10.993 18.538 ( 5.062 -0.357 -11.016) 12.128 18.925 ( -1.731 0.764 -13.473) 13.605 18.944 ( -3.070 -2.327 -1.986) 4.334 19.717 ( 0.974 -0.073 -2.017) 2.241 19.816 ( -2.384 -2.802 1.133) 3.849 20.043 ( 4.549 -3.239 5.759) 8.022 20.285 ( 3.399 -11.517 -5.649) 13.270 21.829 ( 0.348 -0.166 5.872) 5.884 21.888 ( 0.207 -1.481 2.927) 3.287 22.027 ( -1.472 2.198 1.945) 3.284 22.109 ( -1.708 -0.218 -3.692) 4.074 ======================= Grid point 213 (115/125) ======================= q-point: ( 0.43 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 1.991 1.043 1.084) 2.495 2.183 ( -3.610 -5.844 -5.704) 8.928 2.266 ( 9.910 -7.647 4.680) 13.363 2.523 ( -5.013 -9.072 -2.542) 10.672 2.739 ( 3.429 1.337 -0.634) 3.735 2.810 ( -1.979 6.751 -1.358) 7.165 3.394 ( 10.938 6.031 12.261) 17.503 3.484 ( -0.568 12.865 7.155) 14.731 3.675 ( -3.080 8.757 -1.327) 9.377 3.771 ( 1.607 -12.520 -4.561) 13.421 4.119 ( -5.301 0.237 11.863) 12.995 4.162 ( 1.982 7.887 -7.699) 11.199 4.449 ( 5.220 2.346 -1.935) 6.041 4.497 ( -4.433 -0.429 0.338) 4.467 4.604 ( -0.725 14.126 13.777) 19.746 4.809 ( -1.180 4.066 6.525) 7.779 4.982 ( 2.458 3.048 -2.243) 4.513 5.170 ( -1.947 -5.864 -6.303) 8.827 5.425 ( -0.395 0.343 3.458) 3.498 5.540 ( 1.827 0.920 -7.605) 7.875 5.640 ( -1.566 0.798 10.042) 10.195 5.770 ( 2.692 5.899 -8.034) 10.325 6.028 ( -1.631 -5.207 5.486) 7.737 6.169 ( 1.189 -0.932 -4.359) 4.613 6.501 ( -2.984 3.587 3.498) 5.832 6.638 ( 1.636 -1.176 -14.761) 14.898 7.039 ( 2.912 -10.473 5.363) 12.121 7.106 ( -0.542 -14.569 -1.731) 14.682 7.486 ( 0.585 8.879 6.759) 11.174 7.701 ( 1.294 5.237 -10.603) 11.896 8.565 ( -1.575 7.225 3.861) 8.342 8.609 ( 2.774 7.155 -2.343) 8.024 8.818 ( 1.545 6.863 8.386) 10.946 9.022 ( -0.457 6.452 -5.846) 8.719 9.241 ( -6.138 -8.131 2.336) 10.452 9.324 ( -0.156 -4.373 -6.732) 8.029 9.618 ( -1.832 2.386 16.737) 17.006 9.772 ( -1.928 -1.782 5.052) 5.694 9.859 ( -0.574 1.075 -5.285) 5.424 9.997 ( 2.984 -0.582 -14.951) 15.257 11.210 ( -5.481 8.094 13.085) 16.334 11.412 ( -3.163 -0.735 15.101) 15.446 11.484 ( -1.228 8.408 -13.080) 15.598 11.685 ( -0.752 -0.932 -10.193) 10.263 11.994 ( -0.191 1.320 5.281) 5.447 12.072 ( 1.319 -2.342 -3.433) 4.360 12.301 ( 2.754 -2.595 3.353) 5.056 12.465 ( -4.896 -5.064 -3.551) 7.888 12.861 ( 4.293 3.090 5.183) 7.406 13.043 ( -1.503 1.359 -5.576) 5.933 13.691 ( 4.414 -0.962 6.575) 7.977 13.839 ( 1.895 -2.685 -3.198) 4.586 14.521 ( 10.655 10.783 0.767) 15.179 14.797 ( -9.336 6.470 -0.207) 11.361 15.200 ( 5.828 -7.077 -3.921) 9.971 15.331 ( -5.873 -7.714 -1.209) 9.770 16.214 ( -2.753 11.696 3.534) 12.524 16.273 ( -3.795 10.601 0.410) 11.268 16.804 ( 1.368 -3.061 13.234) 13.652 17.043 ( 1.669 -5.809 -6.328) 8.751 18.344 ( 1.404 7.932 9.129) 12.175 18.590 ( 4.034 0.010 -11.351) 12.046 18.830 ( -4.694 0.343 -6.429) 7.968 18.849 ( -3.037 0.349 -9.012) 9.516 19.767 ( 4.301 -0.914 -1.400) 4.614 19.795 ( -1.204 -2.243 0.820) 2.674 20.124 ( 1.631 -4.506 6.860) 8.368 20.302 ( 1.106 -10.734 -7.592) 13.193 21.851 ( -0.627 -0.323 6.766) 6.803 21.899 ( -0.065 -1.284 4.315) 4.503 22.016 ( -0.018 2.105 -0.854) 2.272 22.069 ( -1.058 0.510 -3.075) 3.291 ======================= Grid point 214 (116/125) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -1.236 -0.718 2.886) 3.221 2.107 ( -1.961 -0.673 -2.639) 3.356 2.337 ( -7.839 -7.723 -1.189) 11.068 2.493 ( 7.857 -10.713 -0.579) 13.298 2.734 ( -4.512 5.920 -0.340) 7.451 2.822 ( 4.352 2.335 -2.163) 5.392 3.511 ( -2.691 8.395 3.098) 9.344 3.541 ( 2.740 2.588 6.103) 7.173 3.651 ( -4.181 0.705 -3.797) 5.691 3.726 ( 2.889 10.638 -2.105) 11.223 3.990 ( -9.804 -4.325 9.453) 14.289 4.267 ( 7.230 -0.739 -1.163) 7.360 4.378 ( -6.278 4.531 5.602) 9.557 4.480 ( -1.148 6.483 -0.051) 6.584 4.699 ( 3.813 12.181 9.670) 16.013 4.808 ( 1.630 9.669 -2.063) 10.020 5.044 ( -0.637 -4.565 1.026) 4.722 5.075 ( -2.726 -5.268 -2.711) 6.522 5.374 ( -5.475 4.153 4.615) 8.278 5.545 ( 1.180 -2.474 -4.417) 5.198 5.643 ( -1.881 1.846 6.311) 6.839 5.782 ( 1.066 1.402 -6.786) 7.011 6.050 ( 1.784 -0.945 5.319) 5.689 6.189 ( 2.784 -2.727 -6.710) 7.760 6.422 ( -5.330 2.434 5.650) 8.140 6.643 ( 2.696 1.177 -10.626) 11.026 7.066 ( -1.772 -13.056 1.207) 13.231 7.100 ( 0.235 -13.987 0.852) 14.015 7.498 ( -2.107 8.449 8.478) 12.153 7.655 ( -2.198 6.711 -9.855) 12.124 8.560 ( 0.010 6.570 2.363) 6.982 8.645 ( 1.425 7.069 -3.915) 8.205 8.881 ( 1.375 7.219 6.154) 9.585 9.002 ( 1.618 5.955 -7.032) 9.356 9.184 ( -0.399 -5.639 5.005) 7.551 9.365 ( 6.816 -5.804 -8.419) 12.289 9.646 ( -1.652 0.415 15.949) 16.040 9.758 ( -0.828 -0.452 4.554) 4.650 9.830 ( -0.924 2.197 -2.442) 3.412 10.011 ( 3.923 -1.531 -16.297) 16.832 11.200 ( -0.918 6.552 16.319) 17.609 11.434 ( 0.102 -2.556 14.355) 14.581 11.454 ( 2.900 9.470 -12.395) 15.866 11.647 ( 0.083 1.485 -7.849) 7.989 11.981 ( -1.995 0.484 3.558) 4.108 12.121 ( 4.572 -0.908 -4.854) 6.729 12.363 ( -3.301 -5.157 -2.259) 6.526 12.390 ( 3.705 -3.714 3.160) 6.124 12.942 ( 1.463 3.042 3.127) 4.601 12.975 ( -2.311 3.138 -5.065) 6.391 13.736 ( -2.100 -2.050 6.485) 7.118 13.797 ( -4.808 -2.742 -3.380) 6.486 14.554 ( -11.842 8.522 -1.961) 14.721 14.791 ( 14.853 5.413 -0.077) 15.809 15.173 ( -9.498 -4.874 -1.272) 10.751 15.329 ( 6.421 -6.163 -0.960) 8.952 16.185 ( -1.307 10.547 5.404) 11.923 16.300 ( 6.094 11.962 -1.188) 13.477 16.869 ( 0.740 -5.558 11.170) 12.498 17.024 ( -0.817 -4.088 -8.978) 9.899 18.377 ( -2.166 6.327 9.391) 11.529 18.579 ( -1.116 0.728 -12.684) 12.754 18.721 ( -2.640 2.930 -1.233) 4.132 18.863 ( 6.091 -2.473 -5.747) 8.732 19.755 ( -2.920 -1.543 -0.564) 3.350 19.838 ( 3.253 -2.100 -3.421) 5.167 20.147 ( -1.493 -5.426 6.946) 8.940 20.287 ( 0.277 -8.344 -8.247) 11.735 21.847 ( -2.150 0.214 7.010) 7.335 21.915 ( -0.018 -1.539 3.082) 3.445 22.013 ( -0.009 1.792 0.028) 1.793 22.063 ( 1.596 0.433 -3.168) 3.573 ======================= Grid point 215 (117/125) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -8.756 7.003 0.028) 11.212 2.134 ( 2.011 0.664 6.430) 6.769 2.172 ( -7.897 -3.231 -5.115) 9.949 2.550 ( -2.265 -0.859 -1.768) 2.999 2.675 ( -2.338 -0.386 -0.045) 2.370 2.903 ( 5.712 0.516 -4.631) 7.372 3.298 ( -12.686 3.988 -6.293) 14.712 3.575 ( -1.361 3.269 0.045) 3.541 3.659 ( 4.261 -4.489 -0.065) 6.190 3.811 ( 5.648 0.152 1.510) 5.849 3.910 ( -3.403 2.047 15.205) 15.715 4.243 ( -5.160 0.372 3.901) 6.479 4.357 ( -0.157 7.322 -9.229) 11.782 4.496 ( 1.108 5.493 9.473) 11.007 4.770 ( -1.357 11.422 11.477) 16.248 4.839 ( 1.554 2.925 -2.346) 4.059 4.951 ( -0.993 0.432 -7.020) 7.103 5.056 ( -5.124 -5.871 3.611) 8.589 5.292 ( -4.731 2.285 6.701) 8.515 5.540 ( -0.620 -1.225 -3.360) 3.630 5.609 ( -3.181 2.306 3.864) 5.511 5.770 ( 0.453 2.423 -6.458) 6.912 6.121 ( 3.073 3.460 1.538) 4.877 6.216 ( 3.222 -3.496 -2.017) 5.165 6.386 ( -1.246 0.769 6.017) 6.192 6.638 ( -0.046 -0.837 -8.168) 8.211 7.020 ( -3.324 -12.992 1.166) 13.461 7.087 ( -1.475 -12.810 -0.585) 12.908 7.470 ( -3.700 6.780 8.738) 11.662 7.580 ( -1.987 6.260 -7.013) 9.608 8.584 ( 2.135 5.674 -0.061) 6.063 8.634 ( -0.905 6.666 -2.259) 7.096 8.902 ( 0.501 6.777 -1.249) 6.909 9.039 ( 3.997 6.021 -5.947) 9.359 9.245 ( 4.148 -4.052 5.196) 7.786 9.479 ( 5.998 -4.824 -4.606) 8.970 9.667 ( 0.611 1.348 7.594) 7.737 9.776 ( 0.256 -1.040 4.684) 4.804 9.815 ( -0.114 3.602 1.236) 3.810 10.025 ( 2.809 -1.958 -13.168) 13.606 11.276 ( 2.269 5.066 17.745) 18.593 11.483 ( 3.684 6.847 -2.118) 8.058 11.533 ( 6.039 -1.022 3.830) 7.224 11.637 ( 0.922 3.120 -3.535) 4.804 11.958 ( -1.535 0.918 2.074) 2.739 12.170 ( 1.977 -4.340 -8.000) 9.314 12.308 ( -0.119 -1.675 -1.150) 2.035 12.489 ( 4.214 -4.908 4.434) 7.843 12.874 ( -2.903 5.216 -5.376) 8.034 13.002 ( 1.487 1.371 2.527) 3.237 13.615 ( -10.993 -0.773 -3.172) 11.467 13.683 ( -7.961 -2.675 4.373) 9.468 14.376 ( -5.705 10.209 0.222) 11.697 14.945 ( -5.773 7.748 -8.800) 13.069 15.091 ( 8.327 -9.904 5.758) 14.162 15.412 ( 2.705 -7.454 -0.922) 7.983 16.240 ( 5.314 11.872 6.628) 14.598 16.444 ( 9.185 10.182 -2.265) 13.898 16.888 ( -2.396 -5.592 6.811) 9.133 16.959 ( -2.702 -0.784 -8.626) 9.074 18.334 ( -4.512 4.520 7.419) 9.790 18.493 ( -2.952 0.594 -8.395) 8.919 18.744 ( 3.579 4.498 1.219) 5.876 18.976 ( 6.168 -5.797 -3.851) 9.299 19.700 ( -2.051 -0.990 -0.908) 2.452 19.867 ( 2.099 -3.945 -4.106) 6.069 20.122 ( -2.844 -4.644 1.710) 5.707 20.249 ( -2.127 -5.898 -5.319) 8.222 21.826 ( -2.274 0.618 6.283) 6.710 21.908 ( -1.206 -1.293 0.162) 1.775 22.026 ( 0.601 1.342 3.826) 4.099 22.098 ( 3.159 -0.629 -3.762) 4.953 ======================= Grid point 216 (118/125) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -9.243 12.902 3.016) 16.155 1.994 ( -8.492 3.111 -8.524) 12.428 2.206 ( 2.616 2.725 9.818) 10.520 2.483 ( -2.977 1.920 -2.290) 4.218 2.617 ( -2.463 1.529 -0.814) 3.011 2.900 ( -4.157 4.489 -12.066) 13.528 3.198 ( 3.334 -1.953 2.462) 4.582 3.510 ( -4.415 -1.012 -2.727) 5.287 3.764 ( 6.824 -8.296 -1.017) 10.790 3.880 ( -3.548 2.855 12.664) 13.458 3.953 ( 4.513 -9.600 5.852) 12.115 4.224 ( 1.798 2.925 6.619) 7.456 4.305 ( -0.754 5.635 -12.235) 13.491 4.514 ( -1.804 1.737 0.985) 2.691 4.711 ( -6.336 10.098 14.433) 18.720 4.863 ( -0.675 -1.948 3.601) 4.150 4.916 ( -8.313 -3.094 0.240) 8.874 4.979 ( 4.048 6.265 -4.459) 8.691 5.260 ( -1.564 0.622 8.844) 9.002 5.495 ( -2.199 5.165 -5.350) 7.755 5.574 ( -1.657 2.116 3.979) 4.802 5.748 ( -0.359 5.372 -7.775) 9.457 6.167 ( 3.159 2.283 -0.852) 3.989 6.309 ( 3.896 -4.189 5.478) 7.920 6.368 ( -2.627 2.195 1.823) 3.879 6.603 ( 0.380 -4.215 -9.677) 10.562 6.953 ( -4.756 -10.676 6.122) 13.194 7.061 ( -0.051 -13.018 -4.593) 13.805 7.436 ( -2.890 5.748 8.313) 10.511 7.548 ( 0.790 4.314 -5.598) 7.111 8.609 ( -1.309 6.455 -0.120) 6.588 8.624 ( 1.982 4.667 -1.999) 5.450 8.912 ( 1.325 7.260 -0.833) 7.427 9.084 ( 2.780 6.603 -8.307) 10.969 9.340 ( 3.476 -4.658 5.805) 8.214 9.522 ( 0.036 -1.657 0.938) 1.904 9.713 ( 0.418 2.293 1.500) 2.772 9.783 ( 1.322 0.241 -4.606) 4.798 9.851 ( 2.572 1.918 6.763) 7.486 10.025 ( 0.896 -1.728 -7.971) 8.205 11.373 ( 1.377 4.125 16.004) 16.584 11.554 ( 4.236 6.068 -3.486) 8.180 11.635 ( 0.693 6.327 4.703) 7.914 11.694 ( 7.255 -4.747 2.045) 8.907 11.932 ( -1.816 0.504 0.790) 2.043 12.146 ( -0.342 -6.670 -10.022) 12.044 12.350 ( 3.706 1.863 0.999) 4.266 12.527 ( -2.377 -3.689 2.034) 4.837 12.879 ( 5.898 3.993 -2.504) 7.550 13.052 ( 4.059 0.393 2.759) 4.923 13.359 ( -14.449 1.408 -4.173) 15.106 13.501 ( -12.080 -2.555 1.057) 12.392 14.352 ( 1.648 9.997 5.378) 11.471 14.775 ( -7.256 8.099 -9.077) 14.164 15.258 ( 6.183 -11.003 3.335) 13.054 15.431 ( 0.256 -8.452 -2.137) 8.722 16.408 ( 8.864 10.144 7.537) 15.437 16.609 ( 9.199 8.365 -3.231) 12.847 16.818 ( -6.379 -2.404 2.035) 7.114 16.870 ( -4.759 2.406 -4.571) 7.023 18.285 ( -3.344 4.174 8.068) 9.680 18.437 ( -0.099 0.546 -6.762) 6.784 18.820 ( 3.420 2.528 2.367) 4.867 19.034 ( 2.068 -6.998 -6.919) 10.056 19.691 ( 1.330 -0.543 1.481) 2.063 19.924 ( 5.290 -6.765 -2.094) 8.839 20.044 ( -4.653 -1.979 -5.664) 7.593 20.172 ( -4.684 -5.028 -1.979) 7.151 21.808 ( -1.787 0.667 5.841) 6.145 21.882 ( -1.171 -1.043 -0.842) 1.780 22.051 ( 0.185 0.855 5.404) 5.475 22.143 ( 2.822 -1.455 -4.289) 5.337 ======================= Grid point 217 (119/125) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -1.127 5.891 -0.693) 6.037 1.952 ( -0.115 0.624 -5.985) 6.019 2.402 ( 2.725 5.595 3.820) 7.302 2.444 ( -2.230 1.186 -0.785) 2.645 2.744 ( 2.605 7.474 2.663) 8.350 2.836 ( -2.770 1.182 -6.683) 7.330 3.261 ( -2.421 -3.267 4.576) 6.122 3.353 ( -1.074 -7.653 -4.737) 9.064 3.653 ( 0.294 0.641 6.633) 6.670 3.762 ( 5.019 -4.509 -3.515) 7.607 3.981 ( -0.110 0.971 7.212) 7.278 4.105 ( -2.989 -9.119 -3.978) 10.388 4.406 ( -3.269 6.500 11.039) 13.221 4.522 ( -2.606 -2.559 5.923) 6.959 4.688 ( 1.299 3.320 -4.213) 5.519 4.762 ( 0.006 -3.416 -5.524) 6.495 5.038 ( -2.717 9.502 11.470) 15.140 5.192 ( 3.210 3.515 3.230) 5.752 5.217 ( -0.417 -1.652 3.030) 3.476 5.380 ( 1.823 -7.923 -6.129) 10.181 5.830 ( -2.139 16.249 5.899) 17.419 5.955 ( 1.539 10.924 -7.079) 13.108 6.164 ( -3.867 -8.654 5.416) 10.917 6.181 ( 0.235 -6.039 -0.615) 6.075 6.410 ( 2.284 4.448 -3.240) 5.958 6.514 ( 4.571 -5.406 -9.959) 12.219 6.772 ( -1.243 -2.367 4.352) 5.108 6.835 ( 0.447 -8.188 -1.986) 8.437 7.523 ( -1.113 4.383 6.039) 7.545 7.582 ( 0.759 -1.234 0.679) 1.600 8.677 ( -0.407 2.826 -1.583) 3.265 8.695 ( 0.229 1.159 -3.137) 3.352 9.078 ( 0.934 5.808 4.477) 7.393 9.159 ( 0.747 -0.750 -0.786) 1.318 9.347 ( -1.317 1.893 -0.651) 2.396 9.432 ( -2.482 -4.617 -6.051) 8.006 9.762 ( -0.897 2.983 1.981) 3.692 9.811 ( 2.276 -1.727 -3.291) 4.358 9.934 ( -1.238 3.015 3.626) 4.875 9.990 ( 1.334 -1.962 -1.779) 2.966 11.495 ( -0.105 3.192 12.507) 12.909 11.571 ( 0.396 -4.202 8.203) 9.225 11.766 ( -1.832 4.775 2.882) 5.871 11.806 ( 1.201 1.428 -1.874) 2.644 11.900 ( -0.530 0.890 -4.498) 4.616 11.972 ( 0.108 -5.706 -9.336) 10.942 12.457 ( -0.090 1.808 2.374) 2.986 12.478 ( 1.461 -0.349 0.045) 1.503 13.075 ( 1.604 3.088 2.881) 4.518 13.119 ( -4.004 0.095 0.481) 4.034 13.185 ( 1.354 0.806 -0.892) 1.810 13.243 ( -1.492 -3.457 -4.578) 5.928 14.672 ( 4.124 11.735 7.838) 14.702 14.799 ( -0.755 3.458 -4.270) 5.546 15.129 ( 0.178 -5.974 0.848) 6.036 15.210 ( -1.813 -9.972 -6.294) 11.931 16.676 ( 0.784 3.667 6.734) 7.707 16.709 ( -4.563 0.455 4.855) 6.679 16.814 ( -2.427 2.719 -2.247) 4.282 16.835 ( 2.606 0.622 -2.964) 3.995 18.370 ( 0.503 4.655 2.927) 5.522 18.433 ( 1.856 -1.518 -2.879) 3.747 18.892 ( 1.729 1.335 -3.556) 4.174 18.937 ( 1.729 -3.231 -7.399) 8.257 19.780 ( 4.622 2.353 4.023) 6.564 19.855 ( 1.524 -4.264 -0.430) 4.548 19.939 ( -3.297 -0.315 -3.837) 5.069 19.985 ( -3.508 -4.306 -5.754) 7.997 21.817 ( -1.050 1.042 4.202) 4.455 21.841 ( -0.746 -1.309 1.960) 2.472 22.089 ( -0.026 1.655 1.901) 2.520 22.127 ( 0.696 -2.008 -1.777) 2.771 ======================= Grid point 218 (120/125) ======================= q-point: ( 0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 4.060 4.452 0.667) 6.062 1.995 ( 5.457 -0.525 -2.779) 6.146 2.336 ( -6.224 6.946 -0.215) 9.329 2.473 ( 0.500 -3.241 0.664) 3.345 2.755 ( -0.241 6.869 -3.137) 7.556 2.855 ( 4.836 0.149 0.533) 4.867 3.176 ( -4.331 2.615 4.782) 6.962 3.355 ( -0.017 -13.419 1.768) 13.535 3.716 ( 3.351 8.863 0.762) 9.505 3.825 ( 3.465 -3.135 -7.127) 8.522 4.037 ( 0.807 -3.981 5.707) 7.005 4.075 ( 4.436 -5.956 2.803) 7.938 4.409 ( -1.381 7.171 12.083) 14.119 4.510 ( -0.706 -1.233 8.206) 8.328 4.703 ( 1.950 3.693 -4.547) 6.174 4.813 ( 5.765 -5.341 -3.257) 8.507 5.019 ( -3.071 9.037 9.041) 13.147 5.196 ( -2.895 -4.470 5.333) 7.537 5.265 ( 4.020 3.617 -3.628) 6.512 5.393 ( 2.004 -5.761 -6.113) 8.636 5.808 ( -2.113 12.056 3.891) 12.844 5.957 ( 0.386 7.590 -3.348) 8.304 6.085 ( -5.075 -4.451 3.016) 7.393 6.173 ( -1.385 -3.842 2.301) 4.688 6.461 ( 4.609 4.367 -5.688) 8.525 6.569 ( 4.791 -5.190 -11.959) 13.890 6.786 ( 0.856 -2.205 4.013) 4.658 6.858 ( 2.385 -8.780 -2.206) 9.362 7.541 ( 1.047 5.482 5.452) 7.802 7.619 ( 3.055 -2.101 0.219) 3.714 8.670 ( 0.150 3.283 -0.722) 3.365 8.690 ( 0.320 1.334 -2.058) 2.473 9.059 ( -4.828 7.231 1.743) 8.868 9.146 ( -0.608 1.213 -2.207) 2.591 9.309 ( -4.326 -2.666 4.166) 6.571 9.355 ( -2.857 -4.392 -2.604) 5.851 9.737 ( -1.973 2.966 1.476) 3.856 9.798 ( -3.417 -3.478 2.141) 5.325 9.921 ( 0.095 5.295 -1.539) 5.515 10.004 ( 0.592 -2.587 -3.697) 4.551 11.503 ( -3.542 3.877 11.681) 12.807 11.564 ( -4.657 -1.649 9.174) 10.420 11.707 ( -2.868 3.468 -5.204) 6.880 11.769 ( -3.145 -1.411 -4.869) 5.966 11.909 ( 1.825 1.002 0.377) 2.116 11.968 ( 1.783 -4.408 -4.744) 6.717 12.423 ( -3.390 4.374 -0.110) 5.534 12.502 ( -0.107 -3.510 -1.098) 3.679 12.916 ( -7.086 5.131 1.916) 8.956 13.021 ( -4.684 -4.976 0.553) 6.856 13.363 ( 13.189 4.414 1.193) 13.959 13.448 ( 13.931 -3.722 0.132) 14.421 14.721 ( -1.193 12.434 -4.318) 13.216 14.827 ( 6.245 6.568 0.616) 9.084 15.103 ( -4.084 -8.401 -1.234) 9.422 15.178 ( 0.464 -11.249 0.619) 11.276 16.620 ( -6.264 3.769 5.196) 8.969 16.645 ( -6.979 1.902 5.587) 9.140 16.764 ( -1.188 5.505 1.721) 5.889 16.868 ( 1.228 -4.078 -1.394) 4.482 18.398 ( 1.627 5.278 0.266) 5.530 18.468 ( 3.167 -1.801 -5.705) 6.770 18.921 ( 2.567 0.845 -4.438) 5.196 18.953 ( 2.508 -2.088 -8.800) 9.386 19.779 ( -3.830 1.860 -5.610) 7.043 19.826 ( -3.543 -2.922 -3.374) 5.699 19.919 ( 3.519 1.707 5.344) 6.622 20.016 ( 4.436 -7.756 1.355) 9.037 21.819 ( -0.293 0.933 4.598) 4.700 21.843 ( 0.007 -1.422 3.081) 3.393 22.086 ( -0.819 1.831 0.859) 2.182 22.121 ( -0.528 -1.653 -2.202) 2.803 ======================= Grid point 219 (121/125) ======================= q-point: ( 0.29 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 3.871 2.014 0.338) 4.377 2.082 ( 3.314 -3.101 -1.009) 4.649 2.221 ( -5.056 7.091 -0.607) 8.730 2.426 ( -4.837 -10.272 -0.841) 11.385 2.781 ( 3.936 9.247 -1.676) 10.189 2.935 ( 3.508 -0.912 -0.671) 3.686 3.205 ( 4.749 2.889 6.056) 8.220 3.361 ( -0.009 -12.704 3.125) 13.082 3.764 ( 2.160 10.730 0.909) 10.983 3.842 ( 0.868 0.547 -3.001) 3.171 4.115 ( 6.012 0.624 4.983) 7.834 4.219 ( 7.067 -6.643 0.746) 9.728 4.420 ( -0.771 9.660 10.765) 14.484 4.549 ( 0.569 -1.787 9.406) 9.591 4.715 ( -0.232 6.257 -0.967) 6.335 4.901 ( 3.956 -4.377 -2.249) 6.314 4.989 ( -2.700 4.829 5.922) 8.104 5.156 ( -2.130 -2.521 1.654) 3.691 5.313 ( 2.487 0.439 -3.751) 4.522 5.418 ( 2.517 -6.300 -4.713) 8.261 5.776 ( -2.459 8.436 3.700) 9.534 5.925 ( -4.047 -2.421 3.836) 6.078 6.025 ( -0.950 6.631 -4.301) 7.961 6.155 ( -1.030 -2.770 -0.183) 2.960 6.538 ( 5.044 2.803 -3.538) 6.769 6.603 ( 3.092 -3.273 -11.048) 11.930 6.817 ( 1.311 -3.131 0.457) 3.425 6.883 ( 0.372 -8.618 -1.735) 8.799 7.598 ( 2.938 6.702 4.927) 8.822 7.689 ( 4.199 -2.116 -0.991) 4.806 8.680 ( 1.240 3.441 -0.631) 3.711 8.693 ( 0.461 2.321 -1.175) 2.642 8.959 ( -5.182 7.936 3.818) 10.218 9.115 ( -2.366 -4.485 -1.291) 5.232 9.220 ( -5.078 0.930 1.240) 5.310 9.303 ( -3.147 -4.552 -0.488) 5.555 9.702 ( -3.283 2.367 5.640) 6.942 9.741 ( -3.239 -2.279 6.235) 7.386 9.916 ( 0.515 3.697 -5.720) 6.830 9.987 ( -0.025 -2.565 -7.654) 8.073 11.439 ( -7.715 4.124 12.174) 14.991 11.471 ( -7.766 0.396 12.440) 14.670 11.653 ( -0.067 2.513 -12.373) 12.626 11.697 ( -1.147 -1.753 -9.783) 10.004 11.959 ( 2.532 0.089 3.880) 4.634 11.994 ( 2.118 -2.794 -1.015) 3.650 12.342 ( -4.469 4.683 -0.994) 6.549 12.449 ( -4.396 -5.745 -2.403) 7.622 12.883 ( 1.479 6.161 4.568) 7.811 13.000 ( 1.273 -5.023 1.056) 5.289 13.590 ( 9.637 4.262 1.769) 10.685 13.676 ( 9.605 -3.851 -0.683) 10.371 14.684 ( 0.431 13.901 -5.956) 15.129 14.954 ( 4.542 -8.715 -5.199) 11.118 15.006 ( -3.324 4.680 3.463) 6.704 15.197 ( 0.103 -10.268 3.109) 10.729 16.507 ( -8.236 5.385 6.961) 12.053 16.521 ( -5.994 4.776 2.716) 8.131 16.764 ( -0.555 3.328 5.875) 6.775 16.883 ( 1.219 -7.058 -1.797) 7.384 18.432 ( 2.239 5.442 -0.724) 5.929 18.510 ( 3.686 -2.486 -6.780) 8.108 18.929 ( -0.626 0.622 -6.400) 6.460 18.940 ( -0.866 -0.034 -10.833) 10.867 19.729 ( 0.533 1.325 -3.276) 3.574 19.767 ( -0.781 -2.218 -1.449) 2.762 20.005 ( 2.943 0.561 5.085) 5.902 20.088 ( 2.501 -7.475 1.111) 7.960 21.835 ( 0.182 0.765 5.099) 5.159 21.858 ( 0.108 -1.401 4.193) 4.423 22.069 ( -0.909 1.806 -0.412) 2.063 22.097 ( -1.078 -0.992 -2.377) 2.792 ======================= Grid point 220 (122/125) ======================= q-point: ( 0.43 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.364 0.451 -0.703) 0.911 2.093 ( -0.731 -3.453 -2.859) 4.542 2.195 ( 2.613 1.954 1.550) 3.612 2.321 ( -5.126 -9.383 -1.989) 10.875 2.876 ( 5.580 10.590 0.093) 11.971 2.966 ( -0.259 6.257 -1.939) 6.556 3.323 ( 4.339 -9.757 3.501) 11.237 3.368 ( -0.137 -12.782 1.203) 12.839 3.815 ( 1.271 11.048 6.893) 13.084 3.870 ( 2.725 5.683 0.291) 6.309 4.216 ( -0.225 5.884 7.604) 9.617 4.283 ( 1.013 -0.510 -0.625) 1.295 4.478 ( 3.027 3.207 3.857) 5.859 4.539 ( -3.863 2.267 2.350) 5.058 4.736 ( 3.133 3.607 7.657) 9.025 4.936 ( -0.004 -11.706 -5.827) 13.077 4.970 ( -0.444 12.334 8.680) 15.088 5.128 ( -1.230 1.404 -1.967) 2.712 5.332 ( -0.106 -3.555 0.999) 3.695 5.436 ( 0.337 -8.752 -5.314) 10.245 5.757 ( -0.881 7.946 6.060) 10.032 5.880 ( -1.283 -2.385 5.229) 5.888 5.998 ( 0.406 6.547 -8.259) 10.547 6.127 ( -0.930 -4.094 -5.517) 6.933 6.586 ( -2.026 4.364 2.272) 5.321 6.626 ( 4.111 0.232 -7.877) 8.888 6.840 ( 1.777 -7.286 -3.699) 8.362 6.860 ( -1.576 -8.566 -0.723) 8.740 7.659 ( 0.999 7.010 4.886) 8.603 7.744 ( 1.548 -1.165 -2.239) 2.961 8.688 ( -0.834 4.414 0.084) 4.493 8.712 ( 2.235 2.376 -2.997) 4.430 8.939 ( 1.113 5.526 8.199) 9.950 9.068 ( -2.162 -7.461 4.668) 9.063 9.145 ( -2.418 5.003 -4.074) 6.890 9.239 ( -1.582 -4.260 -6.204) 7.690 9.667 ( -3.096 2.252 11.331) 11.960 9.718 ( -1.874 -2.927 6.827) 7.661 9.903 ( 0.536 3.208 -6.901) 7.629 9.967 ( 1.578 -2.574 -11.281) 11.678 11.336 ( -6.818 4.230 13.619) 15.807 11.389 ( -5.448 -1.514 12.897) 14.082 11.616 ( 0.927 4.392 -11.795) 12.620 11.668 ( 1.912 -1.215 -12.787) 12.986 12.013 ( 1.358 1.150 3.863) 4.253 12.043 ( 2.949 -1.232 -0.077) 3.197 12.278 ( -1.458 1.243 0.282) 1.936 12.352 ( -4.607 -5.413 -2.218) 7.446 12.952 ( 3.268 5.083 4.452) 7.506 13.034 ( 1.371 -2.515 -0.391) 2.891 13.711 ( 2.690 2.708 2.270) 4.441 13.778 ( 1.862 -3.437 -1.903) 4.348 14.721 ( 4.820 8.986 -2.460) 10.489 14.853 ( -6.933 -2.458 -3.114) 7.988 15.108 ( 6.489 -0.092 0.667) 6.524 15.187 ( -2.120 -6.358 1.173) 6.804 16.404 ( -5.046 6.853 7.847) 11.575 16.447 ( -2.418 4.144 3.006) 5.662 16.782 ( 0.288 2.341 6.003) 6.450 16.902 ( 1.712 -7.768 -3.991) 8.899 18.475 ( 1.945 5.129 1.094) 5.594 18.556 ( 3.139 -3.030 -5.784) 7.245 18.851 ( -4.025 1.341 -7.370) 8.504 18.864 ( -2.584 0.300 -10.391) 10.712 19.764 ( 3.228 0.349 -2.102) 3.868 19.772 ( 0.502 -0.345 -0.372) 0.714 20.058 ( 1.162 -0.898 3.995) 4.257 20.118 ( 1.180 -6.758 -1.192) 6.963 21.854 ( -0.285 0.592 5.626) 5.664 21.873 ( -0.062 -1.212 4.486) 4.647 22.053 ( -0.412 1.462 -1.229) 1.954 22.072 ( -0.660 -0.348 -2.206) 2.329 ======================= Grid point 221 (123/125) ======================= q-point: (-0.43 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 1.638 0.662 -0.317) 1.795 2.084 ( 0.953 -1.035 -3.507) 3.779 2.230 ( -2.509 -1.781 -1.720) 3.525 2.295 ( 5.823 -7.686 0.419) 9.652 2.903 ( -5.062 9.611 -2.405) 11.126 2.953 ( 1.884 7.896 -0.806) 8.158 3.328 ( -3.033 -10.916 1.585) 11.440 3.400 ( 2.335 -14.556 -1.142) 14.786 3.815 ( -4.650 11.574 5.213) 13.519 3.906 ( 0.016 4.040 -0.311) 4.052 4.140 ( -8.189 10.352 10.086) 16.612 4.274 ( -3.815 -2.393 3.713) 5.836 4.495 ( 1.079 5.372 3.668) 6.593 4.549 ( 2.445 2.965 -0.551) 3.882 4.811 ( -0.668 -3.229 3.144) 4.556 4.907 ( 1.091 -6.790 -4.724) 8.343 5.011 ( 0.775 11.404 9.206) 14.677 5.097 ( -0.673 7.111 -3.689) 8.040 5.309 ( -3.806 -7.352 4.809) 9.574 5.389 ( -2.666 -10.876 -2.290) 11.430 5.789 ( 1.247 10.915 7.765) 13.453 5.899 ( 2.014 5.371 -3.881) 6.926 6.013 ( 3.461 -2.010 -0.665) 4.058 6.100 ( 1.537 -6.033 -10.184) 11.937 6.508 ( -6.173 6.491 4.071) 9.840 6.648 ( -1.258 -3.372 -2.514) 4.390 6.819 ( 0.009 -5.834 -2.780) 6.463 6.883 ( 2.034 -8.201 -2.229) 8.739 7.655 ( -3.276 6.131 5.934) 9.139 7.722 ( -2.968 -0.178 -1.527) 3.342 8.672 ( -0.606 4.481 0.844) 4.600 8.723 ( 0.158 0.196 -3.329) 3.339 9.003 ( 1.183 4.814 5.249) 7.220 9.077 ( -0.264 -2.194 1.675) 2.773 9.134 ( 4.895 4.480 -2.846) 7.220 9.248 ( 6.047 -5.864 -8.003) 11.619 9.665 ( -1.363 1.695 11.134) 11.344 9.716 ( -0.803 -3.031 7.205) 7.858 9.895 ( 0.893 3.913 -5.661) 6.939 9.968 ( 2.433 -2.989 -11.441) 12.073 11.300 ( -2.113 3.801 15.343) 15.948 11.368 ( -1.456 -3.243 13.518) 13.977 11.617 ( 3.484 5.794 -11.337) 13.200 11.676 ( 3.159 -0.023 -10.896) 11.345 12.018 ( -1.676 3.226 1.851) 4.080 12.085 ( 1.315 -2.709 -2.828) 4.131 12.283 ( -0.910 -1.822 0.140) 2.041 12.307 ( 3.008 -3.639 2.055) 5.150 13.009 ( 1.124 2.832 1.979) 3.633 13.029 ( -1.237 1.162 -3.072) 3.510 13.718 ( -2.871 0.342 3.853) 4.817 13.746 ( -4.250 -2.190 -0.952) 4.875 14.708 ( -7.090 6.791 -0.888) 9.857 14.814 ( 3.850 -3.020 0.455) 4.915 15.137 ( -2.092 1.641 -2.179) 3.438 15.212 ( 4.448 -5.191 -1.511) 7.001 16.382 ( 0.044 8.407 8.206) 11.748 16.467 ( 3.484 2.168 2.906) 5.028 16.809 ( 0.537 1.459 4.145) 4.427 16.914 ( 1.222 -6.618 -6.066) 9.060 18.482 ( -2.342 4.367 1.774) 5.264 18.555 ( -1.767 -2.750 -5.771) 6.632 18.786 ( 0.324 2.919 -3.625) 4.665 18.829 ( 2.485 -1.480 -5.360) 6.090 19.754 ( -2.000 1.472 -1.268) 2.788 19.797 ( 0.590 -2.221 -3.012) 3.788 20.079 ( 0.244 -0.450 1.992) 2.057 20.138 ( 1.620 -5.845 -3.255) 6.884 21.858 ( -1.254 0.959 5.338) 5.567 21.884 ( -0.449 -1.493 3.740) 4.052 22.046 ( 0.051 1.333 -0.531) 1.436 22.064 ( 0.605 -0.385 -1.827) 1.962 ======================= Grid point 222 (124/125) ======================= q-point: (-0.29 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -2.371 2.411 -4.116) 5.327 2.102 ( 0.333 -2.221 -2.183) 3.132 2.211 ( 2.064 7.385 -0.416) 7.679 2.412 ( 5.468 -10.791 0.732) 12.119 2.787 ( -5.405 9.708 -2.073) 11.303 2.949 ( -1.347 -1.181 -2.251) 2.877 3.268 ( -2.713 -1.911 -0.554) 3.365 3.423 ( 0.475 -11.450 -3.065) 11.863 3.701 ( -6.754 8.722 5.275) 12.228 3.853 ( -5.194 -1.010 -1.088) 5.402 4.044 ( -6.028 8.187 9.056) 13.615 4.205 ( -3.267 -3.962 3.854) 6.420 4.528 ( -2.622 2.405 4.272) 5.559 4.566 ( 0.657 4.340 1.331) 4.587 4.755 ( -3.295 0.430 -1.994) 3.875 4.907 ( -1.196 -7.613 -4.313) 8.831 5.049 ( -0.835 11.190 10.727) 15.524 5.091 ( 1.557 9.569 -2.913) 10.124 5.231 ( -4.729 -7.239 4.452) 9.725 5.361 ( -0.443 -12.657 1.350) 12.737 5.833 ( 0.126 15.643 8.742) 17.920 5.923 ( 3.211 9.705 -9.717) 14.104 6.101 ( 4.015 -6.560 4.706) 9.017 6.119 ( 3.928 -6.798 -9.879) 12.619 6.424 ( -3.487 4.671 4.034) 7.088 6.569 ( -5.073 -7.624 -2.439) 9.477 6.825 ( 0.491 -2.554 -2.487) 3.599 6.888 ( -1.094 -7.077 -0.163) 7.163 7.594 ( -4.816 4.885 6.628) 9.539 7.646 ( -4.154 0.149 0.183) 4.161 8.677 ( 0.876 3.543 -0.244) 3.658 8.712 ( -0.119 0.697 -2.604) 2.698 9.015 ( 0.361 4.447 -0.648) 4.509 9.080 ( 1.107 -1.860 0.468) 2.215 9.259 ( 7.444 5.046 -3.113) 9.517 9.374 ( 7.945 -5.661 -5.684) 11.291 9.690 ( 0.959 1.649 6.447) 6.723 9.737 ( 0.529 -2.641 5.706) 6.309 9.899 ( 1.021 4.385 -2.020) 4.935 9.977 ( 1.966 -3.091 -7.712) 8.538 11.350 ( 1.246 3.058 15.992) 16.329 11.420 ( 1.781 -4.135 13.298) 14.040 11.669 ( 5.731 5.867 -9.874) 12.836 11.711 ( 3.594 1.862 -6.539) 7.690 11.984 ( -2.029 2.069 -0.089) 2.899 12.061 ( -1.527 -5.449 -5.976) 8.230 12.317 ( 3.627 2.352 1.652) 4.628 12.391 ( 4.173 -4.633 3.436) 7.119 12.973 ( -1.979 4.024 -4.478) 6.338 13.019 ( -0.272 -0.447 -0.750) 0.914 13.612 ( -9.147 0.544 -0.318) 9.169 13.637 ( -8.169 -1.870 3.126) 8.945 14.601 ( -4.004 11.923 2.691) 12.862 14.844 ( -1.286 -11.934 4.408) 12.787 15.115 ( 1.261 7.007 -6.492) 9.636 15.260 ( 1.562 -7.454 -3.269) 8.288 16.461 ( 5.109 9.576 7.502) 13.194 16.579 ( 7.028 0.311 1.378) 7.168 16.820 ( -0.653 1.077 2.219) 2.551 16.904 ( -0.001 -4.558 -6.076) 7.596 18.419 ( -4.013 3.891 1.854) 5.889 18.481 ( -3.266 -1.978 -4.022) 5.546 18.825 ( 3.286 3.469 -0.302) 4.787 18.889 ( 4.004 -3.259 -2.391) 5.689 19.708 ( -1.751 2.013 -1.367) 2.998 19.778 ( -0.664 -4.534 -2.580) 5.259 20.080 ( -0.567 0.660 -1.973) 2.156 20.138 ( -0.632 -4.694 -4.372) 6.446 21.846 ( -1.720 1.342 4.372) 4.886 21.878 ( -1.286 -1.661 2.355) 3.156 22.055 ( 0.686 1.394 1.267) 2.005 22.080 ( 1.634 -1.101 -1.399) 2.417 ======================= Grid point 223 (125/125) ======================= q-point: (-0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -4.896 5.287 -3.599) 8.055 2.031 ( -4.915 -0.823 -5.864) 7.695 2.300 ( 5.540 8.848 3.297) 10.948 2.475 ( 0.572 -5.619 0.347) 5.659 2.719 ( -1.075 8.834 -0.048) 8.899 2.907 ( -2.036 -6.708 -4.312) 8.230 3.246 ( 0.917 7.247 -2.489) 7.717 3.396 ( -1.416 -5.275 -1.934) 5.794 3.675 ( 0.700 -5.541 6.127) 8.290 3.724 ( -6.760 -5.552 3.038) 9.261 3.990 ( -2.266 7.126 3.699) 8.342 4.164 ( -2.525 -6.658 0.125) 7.122 4.461 ( -5.126 4.926 5.644) 9.077 4.555 ( -2.602 -2.659 4.441) 5.794 4.701 ( -1.177 5.196 -4.728) 7.123 4.832 ( -4.276 -4.837 -4.780) 8.033 5.048 ( -2.755 8.798 12.076) 15.193 5.130 ( 2.608 9.581 0.220) 9.932 5.203 ( -0.417 -5.947 6.091) 8.523 5.367 ( 1.038 -11.034 -2.421) 11.344 5.846 ( -1.817 18.015 8.108) 19.839 5.946 ( 2.572 11.030 -9.738) 14.937 6.148 ( 2.771 -4.948 -4.637) 7.326 6.184 ( 1.317 -9.875 5.026) 11.159 6.403 ( -0.428 2.458 0.094) 2.497 6.492 ( -0.472 -6.312 -5.316) 8.265 6.803 ( -2.323 -2.449 0.703) 3.447 6.854 ( -1.789 -6.908 -0.445) 7.150 7.540 ( -3.105 4.190 6.494) 8.329 7.589 ( -1.936 -0.336 0.904) 2.163 8.688 ( 0.245 2.442 -1.653) 2.959 8.701 ( 0.106 1.611 -3.152) 3.541 9.036 ( 1.778 5.212 1.714) 5.768 9.121 ( 2.386 -2.766 1.919) 4.126 9.348 ( 3.104 4.947 -5.045) 7.717 9.456 ( 2.517 -4.810 -5.841) 7.974 9.741 ( 2.495 1.256 1.416) 3.132 9.770 ( 1.693 -1.315 1.753) 2.769 9.919 ( 1.039 3.846 1.930) 4.427 9.985 ( 0.650 -2.557 -2.830) 3.869 11.433 ( 1.587 2.764 14.581) 14.925 11.507 ( 2.564 -4.788 11.239) 12.483 11.749 ( 4.625 4.373 -5.046) 8.123 11.756 ( 2.849 3.876 -1.759) 5.122 11.943 ( -2.038 0.974 -2.359) 3.266 12.012 ( -0.882 -5.898 -8.384) 10.289 12.400 ( 3.995 2.939 2.194) 5.423 12.461 ( 1.656 -3.098 2.799) 4.491 12.965 ( 3.608 4.261 -2.815) 6.253 13.034 ( 3.454 -2.289 -0.656) 4.195 13.396 ( -13.169 2.266 -2.136) 13.532 13.447 ( -12.369 -2.713 0.325) 12.667 14.592 ( 1.129 13.181 6.915) 14.928 14.824 ( -1.706 -6.725 2.677) 7.436 15.122 ( 1.312 1.501 -5.087) 5.464 15.253 ( -0.581 -8.767 -5.124) 10.171 16.592 ( 5.377 7.913 6.416) 11.519 16.708 ( 5.202 -2.185 1.295) 5.789 16.800 ( -1.330 3.643 -0.060) 3.878 16.874 ( -1.421 -2.079 -4.081) 4.796 18.371 ( -1.888 4.021 3.300) 5.533 18.430 ( -0.877 -1.622 -2.009) 2.727 18.872 ( 1.814 2.592 -1.531) 3.515 18.931 ( 1.691 -3.633 -4.573) 6.081 19.705 ( 1.831 2.322 1.234) 3.204 19.790 ( 2.777 -5.964 0.061) 6.579 20.032 ( -3.245 0.967 -5.705) 6.634 20.081 ( -3.602 -3.735 -5.153) 7.312 21.828 ( -1.599 1.283 3.931) 4.434 21.857 ( -1.467 -1.446 1.635) 2.629 22.075 ( 0.696 1.472 2.181) 2.721 22.109 ( 1.714 -1.806 -1.350) 2.833 =================== 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 3/31752 10.0 357.048 710.035 993.265 0.000 229.389 0.000 3/31752 20.0 85.130 158.492 190.694 0.000 23.552 0.000 3/31752 30.0 38.301 67.115 80.167 0.000 6.913 0.000 3/31752 40.0 23.268 39.433 47.204 0.000 3.163 0.000 3/31752 50.0 16.370 27.364 32.848 0.000 1.746 0.000 3/31752 60.0 12.526 20.839 25.031 0.000 1.081 0.000 3/31752 70.0 10.106 16.790 20.147 0.000 0.729 0.000 3/31752 80.0 8.453 14.041 16.816 0.000 0.525 0.000 3/31752 90.0 7.258 12.057 14.407 0.000 0.398 0.000 3/31752 100.0 6.358 10.560 12.591 0.000 0.315 0.000 3/31752 110.0 5.658 9.393 11.176 0.000 0.258 0.000 3/31752 120.0 5.099 8.459 10.045 0.000 0.217 0.000 3/31752 130.0 4.644 7.695 9.122 0.000 0.187 0.000 3/31752 140.0 4.267 7.058 8.356 0.000 0.164 0.000 3/31752 150.0 3.948 6.521 7.709 0.000 0.146 0.000 3/31752 160.0 3.676 6.061 7.157 0.000 0.132 0.000 3/31752 170.0 3.442 5.663 6.680 0.000 0.121 0.000 3/31752 180.0 3.236 5.315 6.263 0.000 0.111 0.000 3/31752 190.0 3.056 5.008 5.897 0.000 0.103 0.000 3/31752 200.0 2.895 4.736 5.572 0.000 0.097 0.000 3/31752 210.0 2.751 4.492 5.282 0.000 0.091 0.000 3/31752 220.0 2.622 4.273 5.022 0.000 0.086 0.000 3/31752 230.0 2.505 4.075 4.787 0.000 0.082 0.000 3/31752 240.0 2.398 3.895 4.573 0.000 0.078 0.000 3/31752 250.0 2.300 3.730 4.378 0.000 0.074 0.000 3/31752 260.0 2.210 3.579 4.200 0.000 0.071 0.000 3/31752 270.0 2.128 3.440 4.036 0.000 0.068 0.000 3/31752 280.0 2.051 3.312 3.884 0.000 0.065 0.000 3/31752 290.0 1.980 3.193 3.744 0.000 0.063 0.000 3/31752 300.0 1.914 3.082 3.614 0.000 0.061 0.000 3/31752 310.0 1.852 2.979 3.492 0.000 0.059 0.000 3/31752 320.0 1.794 2.883 3.379 0.000 0.057 0.000 3/31752 330.0 1.740 2.793 3.273 0.000 0.055 0.000 3/31752 340.0 1.689 2.708 3.174 0.000 0.053 0.000 3/31752 350.0 1.640 2.629 3.080 0.000 0.052 0.000 3/31752 360.0 1.595 2.554 2.993 0.000 0.050 0.000 3/31752 370.0 1.552 2.483 2.910 0.000 0.049 0.000 3/31752 380.0 1.511 2.417 2.831 0.000 0.048 0.000 3/31752 390.0 1.473 2.353 2.757 0.000 0.046 0.000 3/31752 400.0 1.436 2.293 2.686 0.000 0.045 0.000 3/31752 410.0 1.401 2.236 2.620 0.000 0.044 0.000 3/31752 420.0 1.368 2.182 2.556 0.000 0.043 0.000 3/31752 430.0 1.337 2.130 2.496 0.000 0.042 0.000 3/31752 440.0 1.306 2.081 2.438 0.000 0.041 0.000 3/31752 450.0 1.278 2.034 2.383 0.000 0.040 0.000 3/31752 460.0 1.250 1.989 2.330 0.000 0.039 0.000 3/31752 470.0 1.224 1.946 2.280 0.000 0.038 0.000 3/31752 480.0 1.198 1.905 2.232 0.000 0.038 0.000 3/31752 490.0 1.174 1.866 2.186 0.000 0.037 0.000 3/31752 500.0 1.151 1.828 2.142 0.000 0.036 0.000 3/31752 510.0 1.128 1.792 2.099 0.000 0.035 0.000 3/31752 520.0 1.107 1.757 2.058 0.000 0.035 0.000 3/31752 530.0 1.086 1.724 2.019 0.000 0.034 0.000 3/31752 540.0 1.066 1.691 1.981 0.000 0.033 0.000 3/31752 550.0 1.047 1.660 1.945 0.000 0.033 0.000 3/31752 560.0 1.028 1.630 1.910 0.000 0.032 0.000 3/31752 570.0 1.010 1.601 1.876 0.000 0.032 0.000 3/31752 580.0 0.993 1.574 1.843 0.000 0.031 0.000 3/31752 590.0 0.976 1.547 1.812 0.000 0.030 0.000 3/31752 600.0 0.960 1.521 1.782 0.000 0.030 0.000 3/31752 610.0 0.944 1.496 1.752 0.000 0.029 0.000 3/31752 620.0 0.929 1.471 1.724 0.000 0.029 0.000 3/31752 630.0 0.915 1.448 1.696 0.000 0.029 0.000 3/31752 640.0 0.900 1.425 1.669 0.000 0.028 0.000 3/31752 650.0 0.887 1.403 1.644 0.000 0.028 0.000 3/31752 660.0 0.873 1.382 1.619 0.000 0.027 0.000 3/31752 670.0 0.860 1.361 1.594 0.000 0.027 0.000 3/31752 680.0 0.848 1.341 1.571 0.000 0.026 0.000 3/31752 690.0 0.835 1.321 1.548 0.000 0.026 0.000 3/31752 700.0 0.824 1.302 1.526 0.000 0.026 0.000 3/31752 710.0 0.812 1.284 1.504 0.000 0.025 0.000 3/31752 720.0 0.801 1.266 1.483 0.000 0.025 0.000 3/31752 730.0 0.790 1.248 1.463 0.000 0.025 0.000 3/31752 740.0 0.779 1.231 1.443 0.000 0.024 0.000 3/31752 750.0 0.769 1.215 1.423 0.000 0.024 0.000 3/31752 760.0 0.759 1.199 1.405 0.000 0.024 0.000 3/31752 770.0 0.749 1.183 1.386 0.000 0.023 0.000 3/31752 780.0 0.739 1.168 1.369 0.000 0.023 0.000 3/31752 790.0 0.730 1.153 1.351 0.000 0.023 0.000 3/31752 800.0 0.721 1.139 1.334 0.000 0.022 0.000 3/31752 810.0 0.712 1.125 1.318 0.000 0.022 0.000 3/31752 820.0 0.704 1.111 1.302 0.000 0.022 0.000 3/31752 830.0 0.695 1.097 1.286 0.000 0.022 0.000 3/31752 840.0 0.687 1.084 1.270 0.000 0.021 0.000 3/31752 850.0 0.679 1.071 1.255 0.000 0.021 0.000 3/31752 860.0 0.671 1.059 1.241 0.000 0.021 0.000 3/31752 870.0 0.663 1.047 1.227 0.000 0.021 0.000 3/31752 880.0 0.656 1.035 1.213 0.000 0.020 0.000 3/31752 890.0 0.648 1.023 1.199 0.000 0.020 0.000 3/31752 900.0 0.641 1.012 1.186 0.000 0.020 0.000 3/31752 910.0 0.634 1.001 1.172 0.000 0.020 0.000 3/31752 920.0 0.627 0.990 1.160 0.000 0.020 0.000 3/31752 930.0 0.621 0.979 1.147 0.000 0.019 0.000 3/31752 940.0 0.614 0.969 1.135 0.000 0.019 0.000 3/31752 950.0 0.608 0.958 1.123 0.000 0.019 0.000 3/31752 960.0 0.601 0.948 1.111 0.000 0.019 0.000 3/31752 970.0 0.595 0.938 1.100 0.000 0.019 0.000 3/31752 980.0 0.589 0.929 1.089 0.000 0.018 0.000 3/31752 990.0 0.583 0.919 1.078 0.000 0.018 0.000 3/31752 1000.0 0.577 0.910 1.067 0.000 0.018 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m797.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:22:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|