----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:30:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 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 7.572033000241376 0.000000000000000 0.000000000000000 b 0.000000000000000 5.453230430000001 0.000000000000000 c -1.294591648522026 0.000000000000000 7.583114363386215 Atomic positions (fractional): *1 O 0.66631015312946 0.49075316966165 0.12939101800992 15.999 2 O 0.33368984687054 0.99075316966165 0.37060898199008 15.999 3 O 0.33368984687054 0.50924683033835 0.87060898199008 15.999 4 O 0.66631015312946 0.00924683033835 0.62939101800992 15.999 *5 O 0.61582957876263 0.01136883251755 0.16837473497120 15.999 6 O 0.38417042123737 0.51136883251755 0.33162526502880 15.999 7 O 0.38417042123737 0.98863116748245 0.83162526502880 15.999 8 O 0.61582957876263 0.48863116748245 0.66837473497120 15.999 *9 O 0.83370746119552 0.14736010156062 0.94289958482315 15.999 10 O 0.16629253880448 0.64736010156062 0.55710041517685 15.999 11 O 0.16629253880448 0.85263989843938 0.05710041517685 15.999 12 O 0.83370746119552 0.35263989843938 0.44289958482315 15.999 *13 O 0.93940129032143 0.59321755267639 0.80164466365490 15.999 14 O 0.06059870967857 0.09321755267640 0.69835533634510 15.999 15 O 0.06059870967857 0.40678244732361 0.19835533634510 15.999 16 O 0.93940129032143 0.90678244732361 0.30164466365490 15.999 *17 Nd 0.65071746763307 0.77703171201075 0.89852162481004 144.242 18 Nd 0.34928253236693 0.27703171201075 0.60147837518996 144.242 19 Nd 0.34928253236693 0.22296828798925 0.10147837518996 144.242 20 Nd 0.65071746763307 0.72296828798925 0.39852162481004 144.242 *21 Ta 0.83434481985154 0.26947382345117 0.69479494649201 180.948 22 Ta 0.16565518014846 0.76947382345117 0.80520505350799 180.948 23 Ta 0.16565518014846 0.73052617654883 0.30520505350799 180.948 24 Ta 0.83434481985154 0.23052617654883 0.19479494649201 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.572033000241376 0.000000000000000 0.000000000000000 b 0.000000000000000 5.453230430000001 0.000000000000000 c -1.294591648522026 0.000000000000000 7.583114363386215 Atomic positions (fractional): *1 O 0.66631015312946 0.49075316966165 0.12939101800992 15.999 > 1 2 O 0.33368984687054 0.99075316966165 0.37060898199008 15.999 > 2 3 O 0.33368984687054 0.50924683033835 0.87060898199008 15.999 > 3 4 O 0.66631015312946 0.00924683033835 0.62939101800992 15.999 > 4 *5 O 0.61582957876263 0.01136883251755 0.16837473497120 15.999 > 5 6 O 0.38417042123737 0.51136883251755 0.33162526502880 15.999 > 6 7 O 0.38417042123737 0.98863116748245 0.83162526502880 15.999 > 7 8 O 0.61582957876263 0.48863116748245 0.66837473497120 15.999 > 8 *9 O 0.83370746119552 0.14736010156062 0.94289958482315 15.999 > 9 10 O 0.16629253880448 0.64736010156062 0.55710041517685 15.999 > 10 11 O 0.16629253880448 0.85263989843938 0.05710041517685 15.999 > 11 12 O 0.83370746119552 0.35263989843938 0.44289958482315 15.999 > 12 *13 O 0.93940129032143 0.59321755267639 0.80164466365490 15.999 > 13 14 O 0.06059870967857 0.09321755267640 0.69835533634510 15.999 > 14 15 O 0.06059870967857 0.40678244732361 0.19835533634510 15.999 > 15 16 O 0.93940129032143 0.90678244732361 0.30164466365490 15.999 > 16 *17 Nd 0.65071746763307 0.77703171201075 0.89852162481004 144.242 > 17 18 Nd 0.34928253236693 0.27703171201075 0.60147837518996 144.242 > 18 19 Nd 0.34928253236693 0.22296828798925 0.10147837518996 144.242 > 19 20 Nd 0.65071746763307 0.72296828798925 0.39852162481004 144.242 > 20 *21 Ta 0.83434481985154 0.26947382345117 0.69479494649201 180.948 > 21 22 Ta 0.16565518014846 0.76947382345117 0.80520505350799 180.948 > 22 23 Ta 0.16565518014846 0.73052617654883 0.30520505350799 180.948 > 23 24 Ta 0.83434481985154 0.23052617654883 0.19479494649201 180.948 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.144066000482752 0.000000000000000 0.000000000000000 b 0.000000000000000 10.906460860000003 0.000000000000000 c -1.294591648522026 0.000000000000000 7.583114363386215 Atomic positions (fractional): *1 O 0.33315507656473 0.24537658483082 0.12939101800992 15.999 > 1 2 O 0.83315507656473 0.24537658483082 0.12939101800992 15.999 > 1 3 O 0.33315507656473 0.74537658483082 0.12939101800992 15.999 > 1 4 O 0.83315507656473 0.74537658483082 0.12939101800992 15.999 > 1 5 O 0.16684492343527 0.49537658483082 0.37060898199008 15.999 > 2 6 O 0.66684492343527 0.49537658483082 0.37060898199008 15.999 > 2 7 O 0.16684492343527 0.99537658483082 0.37060898199008 15.999 > 2 8 O 0.66684492343527 0.99537658483082 0.37060898199008 15.999 > 2 9 O 0.16684492343527 0.25462341516918 0.87060898199008 15.999 > 3 10 O 0.66684492343527 0.25462341516918 0.87060898199008 15.999 > 3 11 O 0.16684492343527 0.75462341516918 0.87060898199008 15.999 > 3 12 O 0.66684492343527 0.75462341516918 0.87060898199008 15.999 > 3 13 O 0.33315507656473 0.00462341516918 0.62939101800992 15.999 > 4 14 O 0.83315507656473 0.00462341516918 0.62939101800992 15.999 > 4 15 O 0.33315507656473 0.50462341516918 0.62939101800992 15.999 > 4 16 O 0.83315507656473 0.50462341516918 0.62939101800992 15.999 > 4 *17 O 0.30791478938131 0.00568441625877 0.16837473497120 15.999 > 5 18 O 0.80791478938131 0.00568441625877 0.16837473497120 15.999 > 5 19 O 0.30791478938131 0.50568441625877 0.16837473497120 15.999 > 5 20 O 0.80791478938131 0.50568441625877 0.16837473497120 15.999 > 5 21 O 0.19208521061869 0.25568441625877 0.33162526502880 15.999 > 6 22 O 0.69208521061869 0.25568441625877 0.33162526502880 15.999 > 6 23 O 0.19208521061869 0.75568441625877 0.33162526502880 15.999 > 6 24 O 0.69208521061869 0.75568441625877 0.33162526502880 15.999 > 6 25 O 0.19208521061869 0.49431558374123 0.83162526502880 15.999 > 7 26 O 0.69208521061869 0.49431558374123 0.83162526502880 15.999 > 7 27 O 0.19208521061869 0.99431558374123 0.83162526502880 15.999 > 7 28 O 0.69208521061869 0.99431558374123 0.83162526502880 15.999 > 7 29 O 0.30791478938131 0.24431558374123 0.66837473497120 15.999 > 8 30 O 0.80791478938131 0.24431558374123 0.66837473497120 15.999 > 8 31 O 0.30791478938131 0.74431558374123 0.66837473497120 15.999 > 8 32 O 0.80791478938131 0.74431558374123 0.66837473497120 15.999 > 8 *33 O 0.41685373059776 0.07368005078031 0.94289958482315 15.999 > 9 34 O 0.91685373059776 0.07368005078031 0.94289958482315 15.999 > 9 35 O 0.41685373059776 0.57368005078031 0.94289958482315 15.999 > 9 36 O 0.91685373059776 0.57368005078031 0.94289958482315 15.999 > 9 37 O 0.08314626940224 0.32368005078031 0.55710041517685 15.999 > 10 38 O 0.58314626940224 0.32368005078031 0.55710041517685 15.999 > 10 39 O 0.08314626940224 0.82368005078031 0.55710041517685 15.999 > 10 40 O 0.58314626940224 0.82368005078031 0.55710041517685 15.999 > 10 41 O 0.08314626940224 0.42631994921969 0.05710041517685 15.999 > 11 42 O 0.58314626940224 0.42631994921969 0.05710041517685 15.999 > 11 43 O 0.08314626940224 0.92631994921969 0.05710041517685 15.999 > 11 44 O 0.58314626940224 0.92631994921969 0.05710041517685 15.999 > 11 45 O 0.41685373059776 0.17631994921969 0.44289958482315 15.999 > 12 46 O 0.91685373059776 0.17631994921969 0.44289958482315 15.999 > 12 47 O 0.41685373059776 0.67631994921969 0.44289958482315 15.999 > 12 48 O 0.91685373059776 0.67631994921969 0.44289958482315 15.999 > 12 *49 O 0.46970064516072 0.29660877633820 0.80164466365490 15.999 > 13 50 O 0.96970064516072 0.29660877633820 0.80164466365490 15.999 > 13 51 O 0.46970064516072 0.79660877633820 0.80164466365490 15.999 > 13 52 O 0.96970064516072 0.79660877633820 0.80164466365490 15.999 > 13 53 O 0.03029935483928 0.04660877633820 0.69835533634510 15.999 > 14 54 O 0.53029935483928 0.04660877633820 0.69835533634510 15.999 > 14 55 O 0.03029935483928 0.54660877633820 0.69835533634510 15.999 > 14 56 O 0.53029935483928 0.54660877633820 0.69835533634510 15.999 > 14 57 O 0.03029935483928 0.20339122366180 0.19835533634510 15.999 > 15 58 O 0.53029935483928 0.20339122366180 0.19835533634510 15.999 > 15 59 O 0.03029935483928 0.70339122366180 0.19835533634510 15.999 > 15 60 O 0.53029935483928 0.70339122366180 0.19835533634510 15.999 > 15 61 O 0.46970064516072 0.45339122366180 0.30164466365490 15.999 > 16 62 O 0.96970064516072 0.45339122366180 0.30164466365490 15.999 > 16 63 O 0.46970064516072 0.95339122366180 0.30164466365490 15.999 > 16 64 O 0.96970064516072 0.95339122366180 0.30164466365490 15.999 > 16 *65 Nd 0.32535873381654 0.38851585600537 0.89852162481004 144.242 > 17 66 Nd 0.82535873381654 0.38851585600537 0.89852162481004 144.242 > 17 67 Nd 0.32535873381654 0.88851585600537 0.89852162481004 144.242 > 17 68 Nd 0.82535873381654 0.88851585600537 0.89852162481004 144.242 > 17 69 Nd 0.17464126618347 0.13851585600537 0.60147837518996 144.242 > 18 70 Nd 0.67464126618346 0.13851585600537 0.60147837518996 144.242 > 18 71 Nd 0.17464126618347 0.63851585600537 0.60147837518996 144.242 > 18 72 Nd 0.67464126618346 0.63851585600537 0.60147837518996 144.242 > 18 73 Nd 0.17464126618347 0.11148414399463 0.10147837518996 144.242 > 19 74 Nd 0.67464126618346 0.11148414399463 0.10147837518996 144.242 > 19 75 Nd 0.17464126618347 0.61148414399463 0.10147837518996 144.242 > 19 76 Nd 0.67464126618346 0.61148414399463 0.10147837518996 144.242 > 19 77 Nd 0.32535873381654 0.36148414399463 0.39852162481004 144.242 > 20 78 Nd 0.82535873381654 0.36148414399463 0.39852162481004 144.242 > 20 79 Nd 0.32535873381654 0.86148414399463 0.39852162481004 144.242 > 20 80 Nd 0.82535873381654 0.86148414399463 0.39852162481004 144.242 > 20 *81 Ta 0.41717240992577 0.13473691172558 0.69479494649201 180.948 > 21 82 Ta 0.91717240992577 0.13473691172558 0.69479494649201 180.948 > 21 83 Ta 0.41717240992577 0.63473691172558 0.69479494649201 180.948 > 21 84 Ta 0.91717240992577 0.63473691172558 0.69479494649201 180.948 > 21 85 Ta 0.08282759007423 0.38473691172558 0.80520505350799 180.948 > 22 86 Ta 0.58282759007423 0.38473691172558 0.80520505350799 180.948 > 22 87 Ta 0.08282759007423 0.88473691172558 0.80520505350799 180.948 > 22 88 Ta 0.58282759007423 0.88473691172558 0.80520505350799 180.948 > 22 89 Ta 0.08282759007423 0.36526308827442 0.30520505350799 180.948 > 23 90 Ta 0.58282759007423 0.36526308827442 0.30520505350799 180.948 > 23 91 Ta 0.08282759007423 0.86526308827442 0.30520505350799 180.948 > 23 92 Ta 0.58282759007423 0.86526308827442 0.30520505350799 180.948 > 23 93 Ta 0.41717240992577 0.11526308827442 0.19479494649201 180.948 > 24 94 Ta 0.91717240992577 0.11526308827442 0.19479494649201 180.948 > 24 95 Ta 0.41717240992577 0.61526308827442 0.19479494649201 180.948 > 24 96 Ta 0.91717240992577 0.61526308827442 0.19479494649201 180.948 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0325556 0.0000000 0.0798133 0.0000000 5.2089123 0.0000000 0.0798125 0.0000000 5.2467505 -------------------------- Born effective charges -------------------------- 1 O -2.3462705 0.8767758 -0.2332993 1.0222924 -3.2085391 0.5853775 -0.2613672 0.5372655 -2.4386278 2 O -2.3462705 -0.8767758 -0.2332993 -1.0222924 -3.2085391 -0.5853775 -0.2613672 -0.5372655 -2.4386278 3 O -2.3462705 0.8767758 -0.2332993 1.0222924 -3.2085391 0.5853775 -0.2613672 0.5372655 -2.4386278 4 O -2.3462705 -0.8767758 -0.2332993 -1.0222924 -3.2085391 -0.5853775 -0.2613672 -0.5372655 -2.4386278 5 O -3.4576904 -0.3757415 -0.3195820 -0.4926322 -2.8141991 0.1560861 -0.1931343 0.1674892 -2.2166112 6 O -3.4576904 0.3757415 -0.3195820 0.4926322 -2.8141991 -0.1560861 -0.1931343 -0.1674892 -2.2166112 7 O -3.4576904 -0.3757415 -0.3195820 -0.4926322 -2.8141991 0.1560861 -0.1931343 0.1674892 -2.2166112 8 O -3.4576904 0.3757415 -0.3195820 0.4926322 -2.8141991 -0.1560861 -0.1931343 -0.1674892 -2.2166112 9 O -1.4771027 -0.4520510 0.6680003 -0.3392369 -1.9736001 -0.2242969 0.5648362 0.1285808 -5.4031882 10 O -1.4771027 0.4520510 0.6680003 0.3392369 -1.9736001 0.2242969 0.5648362 -0.1285808 -5.4031882 11 O -1.4771027 -0.4520510 0.6680003 -0.3392369 -1.9736001 -0.2242969 0.5648362 0.1285808 -5.4031882 12 O -1.4771027 0.4520510 0.6680003 0.3392369 -1.9736001 0.2242969 0.5648362 -0.1285808 -5.4031882 13 O -3.5860336 -1.5531193 -0.2871481 -1.5088618 -3.3486631 -0.7843984 -0.2724374 -0.7205825 -1.6451347 14 O -3.5860336 1.5531193 -0.2871481 1.5088618 -3.3486631 0.7843984 -0.2724374 0.7205825 -1.6451347 15 O -3.5860336 -1.5531193 -0.2871481 -1.5088618 -3.3486631 -0.7843984 -0.2724374 -0.7205825 -1.6451347 16 O -3.5860336 1.5531193 -0.2871481 1.5088618 -3.3486631 0.7843984 -0.2724374 0.7205825 -1.6451347 17 Nd 4.1117550 -0.3560920 -0.0390122 -0.0112007 4.4850930 -0.0334221 -0.0266850 0.1047783 4.0817620 18 Nd 4.1117550 0.3560920 -0.0390122 0.0112007 4.4850930 0.0334221 -0.0266850 -0.1047783 4.0817620 19 Nd 4.1117550 -0.3560920 -0.0390122 -0.0112007 4.4850930 -0.0334221 -0.0266850 0.1047783 4.0817620 20 Nd 4.1117550 0.3560920 -0.0390122 0.0112007 4.4850930 0.0334221 -0.0266850 -0.1047783 4.0817620 21 Ta 6.7553422 0.3412030 0.2110413 -0.4742926 6.8599084 0.1286357 0.1887877 -1.0375598 7.6217999 22 Ta 6.7553422 -0.3412030 0.2110413 0.4742926 6.8599084 -0.1286357 0.1887877 1.0375598 7.6217999 23 Ta 6.7553422 0.3412030 0.2110413 -0.4742926 6.8599084 0.1286357 0.1887877 -1.0375598 7.6217999 24 Ta 6.7553422 -0.3412030 0.2110413 0.4742926 6.8599084 -0.1286357 0.1887877 1.0375598 7.6217999 ---------------------------------------------------------------------------- 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): 0.014 Solver_block: 100 / 720 - Time: 0.905 Solver_block: 200 / 720 - Time: 0.585 Solver_block: 300 / 720 - Time: 0.579 Solver_block: 400 / 720 - Time: 0.919 Solver_block: 500 / 720 - Time: 1.038 Solver_block: 600 / 720 - Time: 0.601 Solver_block: 700 / 720 - Time: 0.607 Solver_block: 720 / 720 - Time: 0.216 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.866 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:31:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:31:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.572033000241376 0.000000000000000 0.000000000000000 b 0.000000000000000 5.453230430000001 0.000000000000000 c -1.294591648522026 0.000000000000000 7.583114363386215 Atomic positions (fractional): 1 O 0.66631015312946 0.49075316966165 0.12939101800992 15.999 2 O 0.33368984687054 0.99075316966165 0.37060898199008 15.999 3 O 0.33368984687054 0.50924683033835 0.87060898199008 15.999 4 O 0.66631015312946 0.00924683033835 0.62939101800992 15.999 5 O 0.61582957876263 0.01136883251755 0.16837473497120 15.999 6 O 0.38417042123737 0.51136883251755 0.33162526502880 15.999 7 O 0.38417042123737 0.98863116748245 0.83162526502880 15.999 8 O 0.61582957876263 0.48863116748245 0.66837473497120 15.999 9 O 0.83370746119552 0.14736010156062 0.94289958482315 15.999 10 O 0.16629253880448 0.64736010156062 0.55710041517685 15.999 11 O 0.16629253880448 0.85263989843938 0.05710041517685 15.999 12 O 0.83370746119552 0.35263989843938 0.44289958482315 15.999 13 O 0.93940129032143 0.59321755267639 0.80164466365490 15.999 14 O 0.06059870967857 0.09321755267640 0.69835533634510 15.999 15 O 0.06059870967857 0.40678244732361 0.19835533634510 15.999 16 O 0.93940129032143 0.90678244732361 0.30164466365490 15.999 17 Nd 0.65071746763307 0.77703171201075 0.89852162481004 144.242 18 Nd 0.34928253236693 0.27703171201075 0.60147837518996 144.242 19 Nd 0.34928253236693 0.22296828798925 0.10147837518996 144.242 20 Nd 0.65071746763307 0.72296828798925 0.39852162481004 144.242 21 Ta 0.83434481985154 0.26947382345117 0.69479494649201 180.948 22 Ta 0.16565518014846 0.76947382345117 0.80520505350799 180.948 23 Ta 0.16565518014846 0.73052617654883 0.30520505350799 180.948 24 Ta 0.83434481985154 0.23052617654883 0.19479494649201 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.144066000482752 0.000000000000000 0.000000000000000 b 0.000000000000000 10.906460860000003 0.000000000000000 c -1.294591648522026 0.000000000000000 7.583114363386215 Atomic positions (fractional): 1 O 0.33315507656473 0.24537658483082 0.12939101800992 15.999 > 1 2 O 0.83315507656473 0.24537658483082 0.12939101800992 15.999 > 1 3 O 0.33315507656473 0.74537658483082 0.12939101800992 15.999 > 1 4 O 0.83315507656473 0.74537658483082 0.12939101800992 15.999 > 1 5 O 0.16684492343527 0.49537658483082 0.37060898199008 15.999 > 5 6 O 0.66684492343527 0.49537658483082 0.37060898199008 15.999 > 5 7 O 0.16684492343527 0.99537658483082 0.37060898199008 15.999 > 5 8 O 0.66684492343527 0.99537658483082 0.37060898199008 15.999 > 5 9 O 0.16684492343527 0.25462341516918 0.87060898199008 15.999 > 9 10 O 0.66684492343527 0.25462341516918 0.87060898199008 15.999 > 9 11 O 0.16684492343527 0.75462341516918 0.87060898199008 15.999 > 9 12 O 0.66684492343527 0.75462341516918 0.87060898199008 15.999 > 9 13 O 0.33315507656473 0.00462341516918 0.62939101800992 15.999 > 13 14 O 0.83315507656473 0.00462341516918 0.62939101800992 15.999 > 13 15 O 0.33315507656473 0.50462341516918 0.62939101800992 15.999 > 13 16 O 0.83315507656473 0.50462341516918 0.62939101800992 15.999 > 13 17 O 0.30791478938131 0.00568441625877 0.16837473497120 15.999 > 17 18 O 0.80791478938131 0.00568441625877 0.16837473497120 15.999 > 17 19 O 0.30791478938131 0.50568441625877 0.16837473497120 15.999 > 17 20 O 0.80791478938131 0.50568441625877 0.16837473497120 15.999 > 17 21 O 0.19208521061869 0.25568441625877 0.33162526502880 15.999 > 21 22 O 0.69208521061869 0.25568441625877 0.33162526502880 15.999 > 21 23 O 0.19208521061869 0.75568441625877 0.33162526502880 15.999 > 21 24 O 0.69208521061869 0.75568441625877 0.33162526502880 15.999 > 21 25 O 0.19208521061869 0.49431558374123 0.83162526502880 15.999 > 25 26 O 0.69208521061869 0.49431558374123 0.83162526502880 15.999 > 25 27 O 0.19208521061869 0.99431558374123 0.83162526502880 15.999 > 25 28 O 0.69208521061869 0.99431558374123 0.83162526502880 15.999 > 25 29 O 0.30791478938131 0.24431558374123 0.66837473497120 15.999 > 29 30 O 0.80791478938131 0.24431558374123 0.66837473497120 15.999 > 29 31 O 0.30791478938131 0.74431558374123 0.66837473497120 15.999 > 29 32 O 0.80791478938131 0.74431558374123 0.66837473497120 15.999 > 29 33 O 0.41685373059776 0.07368005078031 0.94289958482315 15.999 > 33 34 O 0.91685373059776 0.07368005078031 0.94289958482315 15.999 > 33 35 O 0.41685373059776 0.57368005078031 0.94289958482315 15.999 > 33 36 O 0.91685373059776 0.57368005078031 0.94289958482315 15.999 > 33 37 O 0.08314626940224 0.32368005078031 0.55710041517685 15.999 > 37 38 O 0.58314626940224 0.32368005078031 0.55710041517685 15.999 > 37 39 O 0.08314626940224 0.82368005078031 0.55710041517685 15.999 > 37 40 O 0.58314626940224 0.82368005078031 0.55710041517685 15.999 > 37 41 O 0.08314626940224 0.42631994921969 0.05710041517685 15.999 > 41 42 O 0.58314626940224 0.42631994921969 0.05710041517685 15.999 > 41 43 O 0.08314626940224 0.92631994921969 0.05710041517685 15.999 > 41 44 O 0.58314626940224 0.92631994921969 0.05710041517685 15.999 > 41 45 O 0.41685373059776 0.17631994921969 0.44289958482315 15.999 > 45 46 O 0.91685373059776 0.17631994921969 0.44289958482315 15.999 > 45 47 O 0.41685373059776 0.67631994921969 0.44289958482315 15.999 > 45 48 O 0.91685373059776 0.67631994921969 0.44289958482315 15.999 > 45 49 O 0.46970064516072 0.29660877633820 0.80164466365490 15.999 > 49 50 O 0.96970064516072 0.29660877633820 0.80164466365490 15.999 > 49 51 O 0.46970064516072 0.79660877633820 0.80164466365490 15.999 > 49 52 O 0.96970064516072 0.79660877633820 0.80164466365490 15.999 > 49 53 O 0.03029935483928 0.04660877633820 0.69835533634510 15.999 > 53 54 O 0.53029935483928 0.04660877633820 0.69835533634510 15.999 > 53 55 O 0.03029935483928 0.54660877633820 0.69835533634510 15.999 > 53 56 O 0.53029935483928 0.54660877633820 0.69835533634510 15.999 > 53 57 O 0.03029935483928 0.20339122366180 0.19835533634510 15.999 > 57 58 O 0.53029935483928 0.20339122366180 0.19835533634510 15.999 > 57 59 O 0.03029935483928 0.70339122366180 0.19835533634510 15.999 > 57 60 O 0.53029935483928 0.70339122366180 0.19835533634510 15.999 > 57 61 O 0.46970064516072 0.45339122366180 0.30164466365490 15.999 > 61 62 O 0.96970064516072 0.45339122366180 0.30164466365490 15.999 > 61 63 O 0.46970064516072 0.95339122366180 0.30164466365490 15.999 > 61 64 O 0.96970064516072 0.95339122366180 0.30164466365490 15.999 > 61 65 Nd 0.32535873381654 0.38851585600537 0.89852162481004 144.242 > 65 66 Nd 0.82535873381654 0.38851585600537 0.89852162481004 144.242 > 65 67 Nd 0.32535873381654 0.88851585600537 0.89852162481004 144.242 > 65 68 Nd 0.82535873381654 0.88851585600537 0.89852162481004 144.242 > 65 69 Nd 0.17464126618347 0.13851585600537 0.60147837518996 144.242 > 69 70 Nd 0.67464126618346 0.13851585600537 0.60147837518996 144.242 > 69 71 Nd 0.17464126618347 0.63851585600537 0.60147837518996 144.242 > 69 72 Nd 0.67464126618346 0.63851585600537 0.60147837518996 144.242 > 69 73 Nd 0.17464126618347 0.11148414399463 0.10147837518996 144.242 > 73 74 Nd 0.67464126618346 0.11148414399463 0.10147837518996 144.242 > 73 75 Nd 0.17464126618347 0.61148414399463 0.10147837518996 144.242 > 73 76 Nd 0.67464126618346 0.61148414399463 0.10147837518996 144.242 > 73 77 Nd 0.32535873381654 0.36148414399463 0.39852162481004 144.242 > 77 78 Nd 0.82535873381654 0.36148414399463 0.39852162481004 144.242 > 77 79 Nd 0.32535873381654 0.86148414399463 0.39852162481004 144.242 > 77 80 Nd 0.82535873381654 0.86148414399463 0.39852162481004 144.242 > 77 81 Ta 0.41717240992577 0.13473691172558 0.69479494649201 180.948 > 81 82 Ta 0.91717240992577 0.13473691172558 0.69479494649201 180.948 > 81 83 Ta 0.41717240992577 0.63473691172558 0.69479494649201 180.948 > 81 84 Ta 0.91717240992577 0.63473691172558 0.69479494649201 180.948 > 81 85 Ta 0.08282759007423 0.38473691172558 0.80520505350799 180.948 > 85 86 Ta 0.58282759007423 0.38473691172558 0.80520505350799 180.948 > 85 87 Ta 0.08282759007423 0.88473691172558 0.80520505350799 180.948 > 85 88 Ta 0.58282759007423 0.88473691172558 0.80520505350799 180.948 > 85 89 Ta 0.08282759007423 0.36526308827442 0.30520505350799 180.948 > 89 90 Ta 0.58282759007423 0.36526308827442 0.30520505350799 180.948 > 89 91 Ta 0.08282759007423 0.86526308827442 0.30520505350799 180.948 > 89 92 Ta 0.58282759007423 0.86526308827442 0.30520505350799 180.948 > 89 93 Ta 0.41717240992577 0.11526308827442 0.19479494649201 180.948 > 93 94 Ta 0.91717240992577 0.11526308827442 0.19479494649201 180.948 > 93 95 Ta 0.41717240992577 0.61526308827442 0.19479494649201 180.948 > 93 96 Ta 0.91717240992577 0.61526308827442 0.19479494649201 180.948 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0325556 0.0000000 0.0798133 0.0000000 5.2089123 0.0000000 0.0798125 0.0000000 5.2467505 -------------------------- Born effective charges -------------------------- 1 O -2.3462705 0.8767758 -0.2332993 1.0222924 -3.2085391 0.5853775 -0.2613672 0.5372655 -2.4386278 2 O -2.3462705 -0.8767758 -0.2332993 -1.0222924 -3.2085391 -0.5853775 -0.2613672 -0.5372655 -2.4386278 3 O -2.3462705 0.8767758 -0.2332993 1.0222924 -3.2085391 0.5853775 -0.2613672 0.5372655 -2.4386278 4 O -2.3462705 -0.8767758 -0.2332993 -1.0222924 -3.2085391 -0.5853775 -0.2613672 -0.5372655 -2.4386278 5 O -3.4576904 -0.3757415 -0.3195820 -0.4926322 -2.8141991 0.1560861 -0.1931343 0.1674892 -2.2166112 6 O -3.4576904 0.3757415 -0.3195820 0.4926322 -2.8141991 -0.1560861 -0.1931343 -0.1674892 -2.2166112 7 O -3.4576904 -0.3757415 -0.3195820 -0.4926322 -2.8141991 0.1560861 -0.1931343 0.1674892 -2.2166112 8 O -3.4576904 0.3757415 -0.3195820 0.4926322 -2.8141991 -0.1560861 -0.1931343 -0.1674892 -2.2166112 9 O -1.4771027 -0.4520510 0.6680003 -0.3392369 -1.9736001 -0.2242969 0.5648362 0.1285808 -5.4031882 10 O -1.4771027 0.4520510 0.6680003 0.3392369 -1.9736001 0.2242969 0.5648362 -0.1285808 -5.4031882 11 O -1.4771027 -0.4520510 0.6680003 -0.3392369 -1.9736001 -0.2242969 0.5648362 0.1285808 -5.4031882 12 O -1.4771027 0.4520510 0.6680003 0.3392369 -1.9736001 0.2242969 0.5648362 -0.1285808 -5.4031882 13 O -3.5860336 -1.5531193 -0.2871481 -1.5088618 -3.3486631 -0.7843984 -0.2724374 -0.7205825 -1.6451347 14 O -3.5860336 1.5531193 -0.2871481 1.5088618 -3.3486631 0.7843984 -0.2724374 0.7205825 -1.6451347 15 O -3.5860336 -1.5531193 -0.2871481 -1.5088618 -3.3486631 -0.7843984 -0.2724374 -0.7205825 -1.6451347 16 O -3.5860336 1.5531193 -0.2871481 1.5088618 -3.3486631 0.7843984 -0.2724374 0.7205825 -1.6451347 17 Nd 4.1117550 -0.3560920 -0.0390122 -0.0112007 4.4850930 -0.0334221 -0.0266850 0.1047783 4.0817620 18 Nd 4.1117550 0.3560920 -0.0390122 0.0112007 4.4850930 0.0334221 -0.0266850 -0.1047783 4.0817620 19 Nd 4.1117550 -0.3560920 -0.0390122 -0.0112007 4.4850930 -0.0334221 -0.0266850 0.1047783 4.0817620 20 Nd 4.1117550 0.3560920 -0.0390122 0.0112007 4.4850930 0.0334221 -0.0266850 -0.1047783 4.0817620 21 Ta 6.7553422 0.3412030 0.2110413 -0.4742926 6.8599084 0.1286357 0.1887877 -1.0375598 7.6217999 22 Ta 6.7553422 -0.3412030 0.2110413 0.4742926 6.8599084 -0.1286357 0.1887877 1.0375598 7.6217999 23 Ta 6.7553422 0.3412030 0.2110413 -0.4742926 6.8599084 0.1286357 0.1887877 -1.0375598 7.6217999 24 Ta 6.7553422 -0.3412030 0.2110413 0.4742926 6.8599084 -0.1286357 0.1887877 1.0375598 7.6217999 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xy) -0.00000004 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:31:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:31:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.572033000241376 0.000000000000000 0.000000000000000 b 0.000000000000000 5.453230430000001 0.000000000000000 c -1.294591648522026 0.000000000000000 7.583114363386215 Atomic positions (fractional): 1 O 0.66631015312946 0.49075316966165 0.12939101800992 15.999 2 O 0.33368984687054 0.99075316966165 0.37060898199008 15.999 3 O 0.33368984687054 0.50924683033835 0.87060898199008 15.999 4 O 0.66631015312946 0.00924683033835 0.62939101800992 15.999 5 O 0.61582957876263 0.01136883251755 0.16837473497120 15.999 6 O 0.38417042123737 0.51136883251755 0.33162526502880 15.999 7 O 0.38417042123737 0.98863116748245 0.83162526502880 15.999 8 O 0.61582957876263 0.48863116748245 0.66837473497120 15.999 9 O 0.83370746119552 0.14736010156062 0.94289958482315 15.999 10 O 0.16629253880448 0.64736010156062 0.55710041517685 15.999 11 O 0.16629253880448 0.85263989843938 0.05710041517685 15.999 12 O 0.83370746119552 0.35263989843938 0.44289958482315 15.999 13 O 0.93940129032143 0.59321755267639 0.80164466365490 15.999 14 O 0.06059870967857 0.09321755267640 0.69835533634510 15.999 15 O 0.06059870967857 0.40678244732361 0.19835533634510 15.999 16 O 0.93940129032143 0.90678244732361 0.30164466365490 15.999 17 Nd 0.65071746763307 0.77703171201075 0.89852162481004 144.242 18 Nd 0.34928253236693 0.27703171201075 0.60147837518996 144.242 19 Nd 0.34928253236693 0.22296828798925 0.10147837518996 144.242 20 Nd 0.65071746763307 0.72296828798925 0.39852162481004 144.242 21 Ta 0.83434481985154 0.26947382345117 0.69479494649201 180.948 22 Ta 0.16565518014846 0.76947382345117 0.80520505350799 180.948 23 Ta 0.16565518014846 0.73052617654883 0.30520505350799 180.948 24 Ta 0.83434481985154 0.23052617654883 0.19479494649201 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.144066000482752 0.000000000000000 0.000000000000000 b 0.000000000000000 10.906460860000003 0.000000000000000 c -1.294591648522026 0.000000000000000 7.583114363386215 Atomic positions (fractional): 1 O 0.33315507656473 0.24537658483082 0.12939101800992 15.999 > 1 2 O 0.83315507656473 0.24537658483082 0.12939101800992 15.999 > 1 3 O 0.33315507656473 0.74537658483082 0.12939101800992 15.999 > 1 4 O 0.83315507656473 0.74537658483082 0.12939101800992 15.999 > 1 5 O 0.16684492343527 0.49537658483082 0.37060898199008 15.999 > 5 6 O 0.66684492343527 0.49537658483082 0.37060898199008 15.999 > 5 7 O 0.16684492343527 0.99537658483082 0.37060898199008 15.999 > 5 8 O 0.66684492343527 0.99537658483082 0.37060898199008 15.999 > 5 9 O 0.16684492343527 0.25462341516918 0.87060898199008 15.999 > 9 10 O 0.66684492343527 0.25462341516918 0.87060898199008 15.999 > 9 11 O 0.16684492343527 0.75462341516918 0.87060898199008 15.999 > 9 12 O 0.66684492343527 0.75462341516918 0.87060898199008 15.999 > 9 13 O 0.33315507656473 0.00462341516918 0.62939101800992 15.999 > 13 14 O 0.83315507656473 0.00462341516918 0.62939101800992 15.999 > 13 15 O 0.33315507656473 0.50462341516918 0.62939101800992 15.999 > 13 16 O 0.83315507656473 0.50462341516918 0.62939101800992 15.999 > 13 17 O 0.30791478938131 0.00568441625877 0.16837473497120 15.999 > 17 18 O 0.80791478938131 0.00568441625877 0.16837473497120 15.999 > 17 19 O 0.30791478938131 0.50568441625877 0.16837473497120 15.999 > 17 20 O 0.80791478938131 0.50568441625877 0.16837473497120 15.999 > 17 21 O 0.19208521061869 0.25568441625877 0.33162526502880 15.999 > 21 22 O 0.69208521061869 0.25568441625877 0.33162526502880 15.999 > 21 23 O 0.19208521061869 0.75568441625877 0.33162526502880 15.999 > 21 24 O 0.69208521061869 0.75568441625877 0.33162526502880 15.999 > 21 25 O 0.19208521061869 0.49431558374123 0.83162526502880 15.999 > 25 26 O 0.69208521061869 0.49431558374123 0.83162526502880 15.999 > 25 27 O 0.19208521061869 0.99431558374123 0.83162526502880 15.999 > 25 28 O 0.69208521061869 0.99431558374123 0.83162526502880 15.999 > 25 29 O 0.30791478938131 0.24431558374123 0.66837473497120 15.999 > 29 30 O 0.80791478938131 0.24431558374123 0.66837473497120 15.999 > 29 31 O 0.30791478938131 0.74431558374123 0.66837473497120 15.999 > 29 32 O 0.80791478938131 0.74431558374123 0.66837473497120 15.999 > 29 33 O 0.41685373059776 0.07368005078031 0.94289958482315 15.999 > 33 34 O 0.91685373059776 0.07368005078031 0.94289958482315 15.999 > 33 35 O 0.41685373059776 0.57368005078031 0.94289958482315 15.999 > 33 36 O 0.91685373059776 0.57368005078031 0.94289958482315 15.999 > 33 37 O 0.08314626940224 0.32368005078031 0.55710041517685 15.999 > 37 38 O 0.58314626940224 0.32368005078031 0.55710041517685 15.999 > 37 39 O 0.08314626940224 0.82368005078031 0.55710041517685 15.999 > 37 40 O 0.58314626940224 0.82368005078031 0.55710041517685 15.999 > 37 41 O 0.08314626940224 0.42631994921969 0.05710041517685 15.999 > 41 42 O 0.58314626940224 0.42631994921969 0.05710041517685 15.999 > 41 43 O 0.08314626940224 0.92631994921969 0.05710041517685 15.999 > 41 44 O 0.58314626940224 0.92631994921969 0.05710041517685 15.999 > 41 45 O 0.41685373059776 0.17631994921969 0.44289958482315 15.999 > 45 46 O 0.91685373059776 0.17631994921969 0.44289958482315 15.999 > 45 47 O 0.41685373059776 0.67631994921969 0.44289958482315 15.999 > 45 48 O 0.91685373059776 0.67631994921969 0.44289958482315 15.999 > 45 49 O 0.46970064516072 0.29660877633820 0.80164466365490 15.999 > 49 50 O 0.96970064516072 0.29660877633820 0.80164466365490 15.999 > 49 51 O 0.46970064516072 0.79660877633820 0.80164466365490 15.999 > 49 52 O 0.96970064516072 0.79660877633820 0.80164466365490 15.999 > 49 53 O 0.03029935483928 0.04660877633820 0.69835533634510 15.999 > 53 54 O 0.53029935483928 0.04660877633820 0.69835533634510 15.999 > 53 55 O 0.03029935483928 0.54660877633820 0.69835533634510 15.999 > 53 56 O 0.53029935483928 0.54660877633820 0.69835533634510 15.999 > 53 57 O 0.03029935483928 0.20339122366180 0.19835533634510 15.999 > 57 58 O 0.53029935483928 0.20339122366180 0.19835533634510 15.999 > 57 59 O 0.03029935483928 0.70339122366180 0.19835533634510 15.999 > 57 60 O 0.53029935483928 0.70339122366180 0.19835533634510 15.999 > 57 61 O 0.46970064516072 0.45339122366180 0.30164466365490 15.999 > 61 62 O 0.96970064516072 0.45339122366180 0.30164466365490 15.999 > 61 63 O 0.46970064516072 0.95339122366180 0.30164466365490 15.999 > 61 64 O 0.96970064516072 0.95339122366180 0.30164466365490 15.999 > 61 65 Nd 0.32535873381654 0.38851585600537 0.89852162481004 144.242 > 65 66 Nd 0.82535873381654 0.38851585600537 0.89852162481004 144.242 > 65 67 Nd 0.32535873381654 0.88851585600537 0.89852162481004 144.242 > 65 68 Nd 0.82535873381654 0.88851585600537 0.89852162481004 144.242 > 65 69 Nd 0.17464126618347 0.13851585600537 0.60147837518996 144.242 > 69 70 Nd 0.67464126618346 0.13851585600537 0.60147837518996 144.242 > 69 71 Nd 0.17464126618347 0.63851585600537 0.60147837518996 144.242 > 69 72 Nd 0.67464126618346 0.63851585600537 0.60147837518996 144.242 > 69 73 Nd 0.17464126618347 0.11148414399463 0.10147837518996 144.242 > 73 74 Nd 0.67464126618346 0.11148414399463 0.10147837518996 144.242 > 73 75 Nd 0.17464126618347 0.61148414399463 0.10147837518996 144.242 > 73 76 Nd 0.67464126618346 0.61148414399463 0.10147837518996 144.242 > 73 77 Nd 0.32535873381654 0.36148414399463 0.39852162481004 144.242 > 77 78 Nd 0.82535873381654 0.36148414399463 0.39852162481004 144.242 > 77 79 Nd 0.32535873381654 0.86148414399463 0.39852162481004 144.242 > 77 80 Nd 0.82535873381654 0.86148414399463 0.39852162481004 144.242 > 77 81 Ta 0.41717240992577 0.13473691172558 0.69479494649201 180.948 > 81 82 Ta 0.91717240992577 0.13473691172558 0.69479494649201 180.948 > 81 83 Ta 0.41717240992577 0.63473691172558 0.69479494649201 180.948 > 81 84 Ta 0.91717240992577 0.63473691172558 0.69479494649201 180.948 > 81 85 Ta 0.08282759007423 0.38473691172558 0.80520505350799 180.948 > 85 86 Ta 0.58282759007423 0.38473691172558 0.80520505350799 180.948 > 85 87 Ta 0.08282759007423 0.88473691172558 0.80520505350799 180.948 > 85 88 Ta 0.58282759007423 0.88473691172558 0.80520505350799 180.948 > 85 89 Ta 0.08282759007423 0.36526308827442 0.30520505350799 180.948 > 89 90 Ta 0.58282759007423 0.36526308827442 0.30520505350799 180.948 > 89 91 Ta 0.08282759007423 0.86526308827442 0.30520505350799 180.948 > 89 92 Ta 0.58282759007423 0.86526308827442 0.30520505350799 180.948 > 89 93 Ta 0.41717240992577 0.11526308827442 0.19479494649201 180.948 > 93 94 Ta 0.91717240992577 0.11526308827442 0.19479494649201 180.948 > 93 95 Ta 0.41717240992577 0.61526308827442 0.19479494649201 180.948 > 93 96 Ta 0.91717240992577 0.61526308827442 0.19479494649201 180.948 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0325556 0.0000000 0.0798133 0.0000000 5.2089123 0.0000000 0.0798125 0.0000000 5.2467505 -------------------------- Born effective charges -------------------------- 1 O -2.3462705 0.8767758 -0.2332993 1.0222924 -3.2085391 0.5853775 -0.2613672 0.5372655 -2.4386278 2 O -2.3462705 -0.8767758 -0.2332993 -1.0222924 -3.2085391 -0.5853775 -0.2613672 -0.5372655 -2.4386278 3 O -2.3462705 0.8767758 -0.2332993 1.0222924 -3.2085391 0.5853775 -0.2613672 0.5372655 -2.4386278 4 O -2.3462705 -0.8767758 -0.2332993 -1.0222924 -3.2085391 -0.5853775 -0.2613672 -0.5372655 -2.4386278 5 O -3.4576904 -0.3757415 -0.3195820 -0.4926322 -2.8141991 0.1560861 -0.1931343 0.1674892 -2.2166112 6 O -3.4576904 0.3757415 -0.3195820 0.4926322 -2.8141991 -0.1560861 -0.1931343 -0.1674892 -2.2166112 7 O -3.4576904 -0.3757415 -0.3195820 -0.4926322 -2.8141991 0.1560861 -0.1931343 0.1674892 -2.2166112 8 O -3.4576904 0.3757415 -0.3195820 0.4926322 -2.8141991 -0.1560861 -0.1931343 -0.1674892 -2.2166112 9 O -1.4771027 -0.4520510 0.6680003 -0.3392369 -1.9736001 -0.2242969 0.5648362 0.1285808 -5.4031882 10 O -1.4771027 0.4520510 0.6680003 0.3392369 -1.9736001 0.2242969 0.5648362 -0.1285808 -5.4031882 11 O -1.4771027 -0.4520510 0.6680003 -0.3392369 -1.9736001 -0.2242969 0.5648362 0.1285808 -5.4031882 12 O -1.4771027 0.4520510 0.6680003 0.3392369 -1.9736001 0.2242969 0.5648362 -0.1285808 -5.4031882 13 O -3.5860336 -1.5531193 -0.2871481 -1.5088618 -3.3486631 -0.7843984 -0.2724374 -0.7205825 -1.6451347 14 O -3.5860336 1.5531193 -0.2871481 1.5088618 -3.3486631 0.7843984 -0.2724374 0.7205825 -1.6451347 15 O -3.5860336 -1.5531193 -0.2871481 -1.5088618 -3.3486631 -0.7843984 -0.2724374 -0.7205825 -1.6451347 16 O -3.5860336 1.5531193 -0.2871481 1.5088618 -3.3486631 0.7843984 -0.2724374 0.7205825 -1.6451347 17 Nd 4.1117550 -0.3560920 -0.0390122 -0.0112007 4.4850930 -0.0334221 -0.0266850 0.1047783 4.0817620 18 Nd 4.1117550 0.3560920 -0.0390122 0.0112007 4.4850930 0.0334221 -0.0266850 -0.1047783 4.0817620 19 Nd 4.1117550 -0.3560920 -0.0390122 -0.0112007 4.4850930 -0.0334221 -0.0266850 0.1047783 4.0817620 20 Nd 4.1117550 0.3560920 -0.0390122 0.0112007 4.4850930 0.0334221 -0.0266850 -0.1047783 4.0817620 21 Ta 6.7553422 0.3412030 0.2110413 -0.4742926 6.8599084 0.1286357 0.1887877 -1.0375598 7.6217999 22 Ta 6.7553422 -0.3412030 0.2110413 0.4742926 6.8599084 -0.1286357 0.1887877 1.0375598 7.6217999 23 Ta 6.7553422 0.3412030 0.2110413 -0.4742926 6.8599084 0.1286357 0.1887877 -1.0375598 7.6217999 24 Ta 6.7553422 -0.3412030 0.2110413 0.4742926 6.8599084 -0.1286357 0.1887877 1.0375598 7.6217999 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 299, 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 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 1.588 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 6.038 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000 8.424 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 10.562 ( 0.000 0.000 0.000) 0.000 10.735 ( 0.000 0.000 0.000) 0.000 11.222 ( 0.000 0.000 0.000) 0.000 11.297 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 0.000) 0.000 11.519 ( 0.000 0.000 0.000) 0.000 11.663 ( 0.000 0.000 0.000) 0.000 12.157 ( 0.000 0.000 0.000) 0.000 12.987 ( 0.000 0.000 0.000) 0.000 13.000 ( 0.000 0.000 0.000) 0.000 13.126 ( 0.000 0.000 0.000) 0.000 13.820 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 14.492 ( 0.000 0.000 0.000) 0.000 14.887 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 16.359 ( 0.000 0.000 0.000) 0.000 16.845 ( 0.000 0.000 0.000) 0.000 16.986 ( 0.000 0.000 0.000) 0.000 17.144 ( 0.000 0.000 0.000) 0.000 17.839 ( 0.000 0.000 0.000) 0.000 18.363 ( 0.000 0.000 0.000) 0.000 18.681 ( 0.000 0.000 0.000) 0.000 18.740 ( 0.000 0.000 0.000) 0.000 19.036 ( 0.000 0.000 0.000) 0.000 19.772 ( 0.000 0.000 0.000) 0.000 22.109 ( 0.000 0.000 0.000) 0.000 23.909 ( 0.000 0.000 0.000) 0.000 24.881 ( 0.000 0.000 0.000) 0.000 25.494 ( 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( 10.946 0.000 6.706) 12.836 0.483 ( 22.688 0.000 9.274) 24.510 0.975 ( 47.037 0.000 15.074) 49.394 1.593 ( 1.427 0.000 -4.247) 4.481 1.734 ( 6.057 0.000 -3.926) 7.218 2.246 ( 3.208 0.000 2.226) 3.905 2.724 ( -0.263 0.000 1.910) 1.928 2.804 ( 1.040 0.000 0.871) 1.357 2.983 ( 4.237 0.000 -4.845) 6.436 3.448 ( -5.308 0.000 0.928) 5.389 3.482 ( -2.069 0.000 7.505) 7.785 3.767 ( -4.579 0.000 2.283) 5.116 3.896 ( -1.597 0.000 1.637) 2.287 4.037 ( 3.389 0.000 -2.323) 4.109 4.376 ( -3.978 0.000 -1.188) 4.152 4.441 ( -11.716 0.000 12.181) 16.901 4.550 ( -4.028 0.000 -6.185) 7.381 4.649 ( -3.422 0.000 17.393) 17.727 4.936 ( 9.119 0.000 -2.173) 9.374 5.047 ( 4.934 0.000 -42.953) 43.235 5.337 ( -1.545 0.000 2.047) 2.565 5.408 ( -0.281 0.000 2.406) 2.423 5.678 ( 7.089 0.000 1.556) 7.258 5.903 ( 2.336 0.000 1.345) 2.696 6.303 ( -7.775 0.000 16.324) 18.081 6.550 ( -3.441 0.000 48.650) 48.772 6.645 ( 7.948 0.000 1.056) 8.018 7.267 ( 0.211 0.000 0.396) 0.449 7.845 ( -4.498 0.000 8.795) 9.878 7.901 ( 3.910 0.000 2.091) 4.434 7.988 ( -5.745 0.000 2.034) 6.095 8.138 ( 0.473 0.000 -1.506) 1.578 8.435 ( -1.827 0.000 0.159) 1.833 8.672 ( -5.120 0.000 1.790) 5.424 8.822 ( -3.408 0.000 8.020) 8.714 9.063 ( 7.104 0.000 4.623) 8.476 9.308 ( -1.920 0.000 -26.995) 27.064 9.555 ( 0.202 0.000 -0.999) 1.019 9.671 ( 0.450 0.000 3.132) 3.164 9.829 ( 15.891 0.000 -13.443) 20.815 9.995 ( -0.449 0.000 -2.926) 2.960 10.515 ( -3.641 0.000 -3.615) 5.131 11.070 ( -17.409 0.000 8.559) 19.399 11.135 ( -8.045 0.000 5.893) 9.972 11.489 ( 7.847 0.000 -15.580) 17.444 11.490 ( 5.969 0.000 -7.423) 9.526 11.665 ( -0.892 0.000 1.960) 2.153 12.270 ( 9.900 0.000 4.249) 10.773 12.903 ( -3.825 0.000 5.330) 6.560 13.066 ( -2.904 0.000 -11.139) 11.512 13.120 ( 6.051 0.000 -2.317) 6.479 13.337 ( 11.531 0.000 -43.444) 44.948 13.828 ( -10.325 0.000 -7.737) 12.903 13.899 ( 8.295 0.000 -0.465) 8.308 15.091 ( 16.371 0.000 7.208) 17.888 15.204 ( -9.249 0.000 10.699) 14.143 15.756 ( -0.539 0.000 3.536) 3.576 16.251 ( -8.667 0.000 -5.266) 10.142 16.870 ( 0.310 0.000 3.788) 3.801 16.870 ( -2.228 0.000 -37.836) 37.901 17.168 ( 1.241 0.000 3.370) 3.591 17.845 ( -14.938 0.000 33.202) 36.408 17.854 ( 1.547 0.000 1.307) 2.025 18.529 ( 11.058 0.000 8.984) 14.248 18.619 ( -8.496 0.000 -1.147) 8.573 18.645 ( -2.997 0.000 -5.466) 6.234 19.171 ( 9.505 0.000 4.984) 10.732 21.956 ( -5.456 0.000 35.679) 36.094 22.103 ( -0.285 0.000 -1.705) 1.728 24.224 ( 0.491 0.000 -1.559) 1.635 24.876 ( -0.691 0.000 1.208) 1.392 25.498 ( 0.477 0.000 -0.503) 0.693 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 8.564 0.000 2.386) 8.890 0.887 ( 16.089 0.000 9.445) 18.656 1.577 ( 3.681 0.000 -9.591) 10.273 1.822 ( 3.645 0.000 -4.010) 5.419 1.872 ( 37.594 0.000 14.397) 40.257 2.386 ( 11.087 0.000 2.275) 11.318 2.728 ( -0.349 0.000 3.923) 3.939 2.827 ( 0.729 0.000 1.407) 1.585 3.058 ( 5.296 0.000 -7.051) 8.819 3.296 ( -11.159 0.000 1.780) 11.300 3.476 ( -1.189 0.000 11.019) 11.083 3.652 ( -8.338 0.000 -1.321) 8.442 3.822 ( -7.494 0.000 -0.124) 7.495 4.089 ( 2.851 0.000 -3.860) 4.799 4.267 ( -7.232 0.000 2.527) 7.660 4.320 ( -0.326 0.000 -3.103) 3.120 4.470 ( -2.252 0.000 -6.698) 7.067 4.625 ( -2.634 0.000 6.455) 6.972 4.987 ( -0.497 0.000 -18.168) 18.175 5.092 ( 7.398 0.000 -1.743) 7.601 5.320 ( -1.007 0.000 2.734) 2.914 5.443 ( 2.044 0.000 1.991) 2.853 5.761 ( 1.443 0.000 0.801) 1.650 5.986 ( 5.136 0.000 3.149) 6.024 6.250 ( -1.360 0.000 3.227) 3.502 6.603 ( -3.070 0.000 23.543) 23.743 6.838 ( 10.894 0.000 0.979) 10.938 7.249 ( -2.645 0.000 0.214) 2.654 7.754 ( -5.752 0.000 2.713) 6.360 7.894 ( -3.881 0.000 1.103) 4.034 8.017 ( 6.126 0.000 0.481) 6.145 8.121 ( -1.749 0.000 -0.645) 1.864 8.395 ( -1.960 0.000 0.153) 1.966 8.573 ( -4.871 0.000 1.268) 5.033 8.778 ( -2.501 0.000 -2.246) 3.362 9.202 ( 5.425 0.000 6.005) 8.093 9.293 ( 5.535 0.000 -7.140) 9.034 9.541 ( -1.497 0.000 -2.702) 3.089 9.707 ( 2.512 0.000 5.290) 5.856 10.008 ( 2.669 0.000 -2.273) 3.506 10.009 ( 3.194 0.000 2.594) 4.115 10.459 ( 2.143 0.000 -11.366) 11.566 10.751 ( -17.524 0.000 3.721) 17.915 10.995 ( -8.212 0.000 5.289) 9.768 11.548 ( 4.139 0.000 -15.898) 16.428 11.561 ( 3.757 0.000 -7.132) 8.061 11.638 ( -3.012 0.000 5.869) 6.597 12.473 ( 8.089 0.000 4.995) 9.506 12.880 ( 0.286 0.000 -1.095) 1.132 12.978 ( -3.034 0.000 -5.860) 6.599 13.126 ( -6.017 0.000 3.376) 6.900 13.409 ( 5.755 0.000 -14.743) 15.827 13.752 ( 6.211 0.000 -6.228) 8.796 14.116 ( 14.665 0.000 -2.060) 14.809 15.013 ( -14.096 0.000 8.975) 16.710 15.429 ( 14.073 0.000 7.698) 16.041 15.751 ( -1.320 0.000 4.229) 4.430 16.089 ( -3.199 0.000 -6.285) 7.052 16.674 ( -6.896 0.000 -22.505) 23.538 16.818 ( -8.172 0.000 3.229) 8.787 17.199 ( 0.830 0.000 3.239) 3.344 17.711 ( -6.568 0.000 11.044) 12.850 17.916 ( 4.854 0.000 1.118) 4.981 18.447 ( -9.265 0.000 -1.121) 9.333 18.569 ( -2.772 0.000 -4.437) 5.232 18.745 ( 8.573 0.000 5.191) 10.022 19.352 ( 7.370 0.000 3.884) 8.331 21.972 ( -1.736 0.000 16.214) 16.306 22.088 ( -0.457 0.000 -3.115) 3.148 24.229 ( 0.427 0.000 -0.785) 0.894 24.865 ( -0.794 0.000 1.482) 1.681 25.506 ( 0.536 0.000 -0.612) 0.813 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 3.368 0.000 0.265) 3.378 1.121 ( 5.627 0.000 5.259) 7.703 1.588 ( 1.126 0.000 -5.824) 5.931 1.848 ( 0.614 0.000 -1.374) 1.505 2.507 ( 21.935 0.000 5.104) 22.521 2.639 ( 12.411 0.000 1.360) 12.485 2.730 ( -1.626 0.000 6.479) 6.680 2.842 ( 1.247 0.000 -0.742) 1.451 3.059 ( -12.924 0.000 1.766) 13.044 3.148 ( 7.964 0.000 -5.219) 9.522 3.408 ( -16.011 0.000 -3.814) 16.459 3.525 ( 2.897 0.000 9.299) 9.740 3.654 ( -7.311 0.000 -4.561) 8.617 4.116 ( 1.010 0.000 -1.997) 2.238 4.204 ( -1.347 0.000 2.487) 2.829 4.346 ( 3.336 0.000 -1.927) 3.852 4.410 ( -2.903 0.000 -2.464) 3.808 4.605 ( -0.608 0.000 0.409) 0.733 4.931 ( -0.881 0.000 -5.299) 5.371 5.197 ( 4.109 0.000 -1.594) 4.407 5.302 ( -1.812 0.000 2.116) 2.786 5.477 ( 0.875 0.000 0.796) 1.182 5.768 ( -0.171 0.000 0.252) 0.305 6.081 ( 3.048 0.000 1.559) 3.423 6.254 ( 0.603 0.000 0.113) 0.614 6.603 ( -1.766 0.000 8.108) 8.299 7.012 ( 6.126 0.000 0.416) 6.140 7.177 ( -3.902 0.000 -0.016) 3.902 7.675 ( -2.509 0.000 0.435) 2.546 7.860 ( -0.321 0.000 0.031) 0.323 8.082 ( -1.607 0.000 -0.016) 1.607 8.098 ( 2.205 0.000 -0.730) 2.322 8.374 ( -0.444 0.000 0.160) 0.472 8.513 ( -1.892 0.000 2.071) 2.805 8.737 ( -0.795 0.000 -1.844) 2.008 9.279 ( 1.746 0.000 0.582) 1.840 9.414 ( 5.679 0.000 0.245) 5.685 9.505 ( -0.948 0.000 -1.337) 1.639 9.770 ( 1.705 0.000 2.446) 2.982 9.985 ( -3.722 0.000 2.898) 4.717 10.064 ( 2.869 0.000 -0.307) 2.885 10.487 ( -9.149 0.000 0.388) 9.158 10.514 ( 4.538 0.000 -7.585) 8.839 10.881 ( -4.554 0.000 3.575) 5.790 11.567 ( 3.281 0.000 -12.809) 13.223 11.588 ( 1.072 0.000 -2.864) 3.059 11.599 ( -3.563 0.000 9.249) 9.912 12.583 ( 2.337 0.000 2.708) 3.576 12.886 ( 0.875 0.000 -3.895) 3.992 12.924 ( -1.252 0.000 -1.698) 2.109 13.016 ( -4.365 0.000 3.141) 5.377 13.452 ( 1.955 0.000 -4.090) 4.533 13.894 ( 6.062 0.000 -1.272) 6.194 14.416 ( 17.574 0.000 -4.745) 18.203 14.741 ( -17.159 0.000 7.570) 18.755 15.565 ( 0.024 0.000 2.181) 2.181 15.739 ( -0.734 0.000 1.874) 2.013 16.220 ( 17.271 0.000 -1.779) 17.362 16.518 ( -3.344 0.000 -8.136) 8.796 16.574 ( -17.644 0.000 1.214) 17.685 17.217 ( 0.294 0.000 1.296) 1.329 17.658 ( -1.679 0.000 2.754) 3.226 18.040 ( 7.175 0.000 0.468) 7.190 18.267 ( -8.665 0.000 -0.477) 8.678 18.526 ( -0.761 0.000 -1.678) 1.842 18.868 ( 3.076 0.000 1.654) 3.493 19.457 ( 2.649 0.000 1.422) 3.006 21.990 ( -0.360 0.000 6.082) 6.093 22.070 ( -0.273 0.000 -2.325) 2.341 24.234 ( 0.180 0.000 -0.266) 0.321 24.858 ( -0.330 0.000 0.653) 0.731 25.512 ( 0.218 0.000 -0.269) 0.346 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 0.000 22.517 0.000) 22.517 0.721 ( 0.000 33.373 0.000) 33.373 1.158 ( 0.000 53.250 0.000) 53.250 1.610 ( 0.000 2.116 0.000) 2.116 1.815 ( 0.000 11.465 0.000) 11.465 2.234 ( 0.000 1.656 0.000) 1.656 2.697 ( 0.000 -0.823 0.000) 0.823 2.854 ( 0.000 3.344 0.000) 3.344 2.965 ( 0.000 1.484 0.000) 1.484 3.468 ( 0.000 -2.418 0.000) 2.418 3.550 ( 0.000 5.474 0.000) 5.474 3.681 ( 0.000 0.530 0.000) 0.530 3.682 ( 0.000 -11.443 0.000) 11.443 3.835 ( 0.000 -6.483 0.000) 6.483 4.033 ( 0.000 -4.509 0.000) 4.509 4.347 ( 0.000 -18.355 0.000) 18.355 4.586 ( 0.000 2.259 0.000) 2.259 4.661 ( 0.000 -11.377 0.000) 11.377 4.918 ( 0.000 3.165 0.000) 3.165 5.007 ( 0.000 6.589 0.000) 6.589 5.395 ( 0.000 3.676 0.000) 3.676 5.436 ( 0.000 -1.165 0.000) 1.165 5.739 ( 0.000 4.573 0.000) 4.573 5.903 ( 0.000 3.071 0.000) 3.071 6.165 ( 0.000 10.020 0.000) 10.020 6.451 ( 0.000 2.497 0.000) 2.497 6.602 ( 0.000 0.476 0.000) 0.476 7.156 ( 0.000 -8.564 0.000) 8.564 7.796 ( 0.000 0.650 0.000) 0.650 7.995 ( 0.000 6.955 0.000) 6.955 8.289 ( 0.000 11.506 0.000) 11.506 8.314 ( 0.000 6.728 0.000) 6.728 8.445 ( 0.000 1.899 0.000) 1.899 8.538 ( 0.000 -7.442 0.000) 7.442 8.863 ( 0.000 1.407 0.000) 1.407 8.993 ( 0.000 8.371 0.000) 8.371 9.167 ( 0.000 0.089 0.000) 0.089 9.658 ( 0.000 3.290 0.000) 3.290 9.680 ( 0.000 2.256 0.000) 2.256 9.951 ( 0.000 -6.550 0.000) 6.550 10.488 ( 0.000 -5.369 0.000) 5.369 10.636 ( 0.000 -8.286 0.000) 8.286 11.206 ( 0.000 -0.823 0.000) 0.823 11.368 ( 0.000 4.382 0.000) 4.382 11.373 ( 0.000 7.631 0.000) 7.631 11.560 ( 0.000 5.092 0.000) 5.092 11.684 ( 0.000 2.051 0.000) 2.051 12.146 ( 0.000 6.215 0.000) 6.215 12.148 ( 0.000 -0.645 0.000) 0.645 12.993 ( 0.000 -0.440 0.000) 0.440 13.109 ( 0.000 -1.952 0.000) 1.952 13.436 ( 0.000 -14.683 0.000) 14.683 14.048 ( 0.000 13.131 0.000) 13.131 14.511 ( 0.000 1.695 0.000) 1.695 14.847 ( 0.000 -3.578 0.000) 3.578 15.345 ( 0.000 4.175 0.000) 4.175 15.692 ( 0.000 -5.851 0.000) 5.851 15.992 ( 0.000 -1.594 0.000) 1.594 16.300 ( 0.000 -5.385 0.000) 5.385 16.906 ( 0.000 -9.271 0.000) 9.271 16.998 ( 0.000 0.904 0.000) 0.904 17.160 ( 0.000 -1.804 0.000) 1.804 18.330 ( 0.000 -2.943 0.000) 2.943 18.690 ( 0.000 0.912 0.000) 0.912 18.723 ( 0.000 -0.367 0.000) 0.367 18.995 ( 0.000 -3.991 0.000) 3.991 19.792 ( 0.000 2.042 0.000) 2.042 21.244 ( 0.000 -14.421 0.000) 14.421 22.324 ( 0.000 16.311 0.000) 16.311 23.876 ( 0.000 -3.244 0.000) 3.244 25.105 ( 0.000 0.389 0.000) 0.389 25.477 ( 0.000 -1.636 0.000) 1.636 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 15.555 22.127 5.694) 27.640 0.866 ( 18.434 19.257 3.121) 26.840 1.226 ( 12.067 35.844 5.017) 38.152 1.611 ( 1.187 2.066 -4.095) 4.737 1.936 ( 11.048 16.773 -0.722) 20.098 2.253 ( 2.364 0.812 1.386) 2.858 2.708 ( 0.455 -0.002 4.187) 4.212 2.845 ( -0.192 1.500 -3.534) 3.844 2.994 ( 3.391 1.699 -1.778) 4.189 3.446 ( -3.574 -0.466 2.833) 4.585 3.518 ( -5.299 2.047 5.180) 7.688 3.648 ( -1.911 -9.536 -1.229) 9.803 3.815 ( -1.810 -6.954 0.523) 7.205 3.897 ( 8.037 -9.674 1.328) 12.647 4.144 ( 6.328 -9.095 8.002) 13.668 4.274 ( -5.826 -14.017 -2.274) 15.349 4.564 ( -1.003 2.022 -3.823) 4.440 4.678 ( 4.136 -10.534 -12.288) 16.705 4.835 ( -6.088 7.241 14.757) 17.529 5.108 ( 7.731 1.659 -10.848) 13.424 5.351 ( -1.736 2.082 1.302) 3.008 5.580 ( 5.845 4.270 1.838) 7.468 5.715 ( 2.326 5.571 -4.142) 7.322 5.931 ( 1.702 2.376 1.247) 3.177 6.234 ( 1.232 1.750 13.320) 13.491 6.494 ( 2.406 0.144 12.578) 12.807 6.669 ( 6.727 0.273 1.440) 6.885 7.201 ( 3.293 -6.354 1.724) 7.362 7.777 ( -2.247 -1.923 1.024) 3.129 7.934 ( -5.977 5.262 0.849) 8.009 8.201 ( -5.495 8.522 5.809) 11.686 8.325 ( -0.021 13.219 -1.943) 13.361 8.388 ( -2.586 1.478 -1.684) 3.421 8.632 ( 2.336 -6.012 3.044) 7.132 8.784 ( -0.548 2.500 -6.318) 6.817 9.103 ( 5.504 3.516 1.433) 6.686 9.255 ( 7.027 0.660 -2.342) 7.437 9.560 ( -6.466 2.004 2.064) 7.077 9.633 ( -4.462 0.831 0.563) 4.574 9.955 ( 1.667 -3.899 -2.561) 4.954 10.438 ( -1.028 10.762 -13.595) 17.369 10.491 ( -7.762 7.119 7.740) 13.070 11.062 ( -17.738 1.579 5.967) 18.782 11.157 ( -7.243 2.085 0.365) 7.547 11.433 ( 5.804 0.621 -11.196) 12.626 11.579 ( 2.497 3.878 -6.698) 8.132 11.671 ( -1.936 0.654 2.194) 2.998 12.173 ( 8.263 -4.768 1.142) 9.608 12.547 ( 18.581 -8.891 0.696) 20.610 13.024 ( 3.617 -5.321 -5.599) 8.529 13.078 ( -4.057 -1.878 -0.754) 4.534 13.364 ( -1.918 -5.642 -12.473) 13.823 13.976 ( -2.364 5.573 -1.773) 6.308 14.191 ( -15.247 17.636 -12.089) 26.261 15.075 ( 19.704 -0.215 6.979) 20.904 15.233 ( -10.909 2.168 9.263) 14.475 15.722 ( -0.470 -5.163 3.880) 6.475 16.084 ( -4.045 -12.515 -12.704) 18.286 16.474 ( 13.359 -16.626 -1.081) 21.355 16.944 ( -1.619 0.397 -13.023) 13.129 17.036 ( 6.503 -14.397 23.660) 28.449 17.192 ( 2.219 -0.109 0.356) 2.250 18.354 ( -0.481 -3.553 1.551) 3.907 18.625 ( -5.615 1.168 -0.060) 5.736 18.646 ( -3.646 0.386 -5.055) 6.245 19.084 ( -9.618 7.423 0.578) 12.163 19.194 ( -12.610 19.656 -0.420) 23.356 21.641 ( 15.234 -22.505 16.476) 31.780 22.279 ( -4.180 15.482 4.248) 16.589 24.004 ( 8.299 -10.377 -1.010) 13.325 25.002 ( -6.875 4.810 1.462) 8.517 25.494 ( 1.251 -0.999 -0.816) 1.797 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 3.762 31.173 -5.668) 31.907 1.073 ( 8.676 19.636 12.486) 24.835 1.602 ( 6.074 3.192 -10.109) 12.218 1.710 ( 19.835 -2.292 8.442) 21.679 2.159 ( 11.686 18.896 -0.199) 22.218 2.379 ( 11.386 -0.542 3.646) 11.967 2.733 ( 0.087 0.992 3.940) 4.064 2.835 ( 0.771 -1.275 -2.101) 2.576 3.064 ( 4.795 0.820 -3.472) 5.977 3.310 ( -10.579 2.868 0.270) 10.964 3.476 ( -2.161 -0.434 12.386) 12.580 3.561 ( -6.358 -8.649 -3.133) 11.183 3.755 ( -4.628 -5.964 -2.079) 7.830 3.991 ( 3.458 -7.978 -1.455) 8.816 4.138 ( -6.907 -6.590 -0.928) 9.591 4.193 ( -1.748 -8.839 -0.207) 9.012 4.559 ( 2.295 4.413 -3.106) 5.864 4.735 ( 5.324 -7.760 -12.716) 15.820 4.806 ( -1.372 6.194 8.849) 10.888 5.206 ( 4.985 3.548 -4.162) 7.400 5.320 ( -2.349 0.567 1.864) 3.052 5.606 ( -0.056 12.517 -1.633) 12.623 5.803 ( 3.722 2.889 0.989) 4.814 5.982 ( 3.478 -0.338 2.475) 4.282 6.279 ( 1.769 3.630 3.154) 5.123 6.576 ( 0.199 -1.646 17.135) 17.215 6.833 ( 9.051 -1.013 0.967) 9.159 7.238 ( -0.935 -1.655 -0.048) 1.901 7.729 ( -2.281 -6.954 -0.296) 7.324 7.816 ( -5.786 4.447 2.735) 7.794 8.158 ( -1.200 0.686 2.688) 3.023 8.302 ( -1.592 14.023 -1.751) 14.221 8.335 ( -2.531 5.001 -2.921) 6.321 8.604 ( -2.928 2.120 2.472) 4.380 8.829 ( 3.247 0.871 -2.020) 3.922 9.196 ( 4.273 2.784 -0.121) 5.101 9.329 ( 4.610 3.857 -4.120) 7.287 9.530 ( -2.463 -1.317 0.799) 2.905 9.578 ( 0.387 -4.992 8.875) 10.190 10.007 ( 3.686 -0.105 -0.655) 3.745 10.399 ( -4.299 12.395 5.671) 14.293 10.442 ( 4.887 10.531 -17.045) 20.623 10.757 ( -15.141 0.790 3.672) 15.600 11.018 ( -7.909 1.535 3.042) 8.612 11.489 ( 4.337 -2.834 -12.911) 13.911 11.591 ( 0.889 0.464 -6.347) 6.426 11.628 ( -3.660 -0.663 5.867) 6.947 12.340 ( 7.234 -8.132 2.061) 11.077 12.766 ( 4.932 -6.750 -0.998) 8.419 12.948 ( -6.236 -5.112 -5.688) 9.868 13.043 ( -1.924 -5.090 5.187) 7.518 13.429 ( 11.109 -0.649 -7.583) 13.466 13.832 ( -4.874 6.017 -11.241) 13.650 14.194 ( 10.164 5.376 1.720) 11.626 15.011 ( -15.248 -0.885 8.560) 17.509 15.422 ( 9.421 0.045 6.262) 11.312 15.760 ( 4.868 -1.317 6.398) 8.146 15.929 ( -3.311 -11.591 -11.006) 16.323 16.562 ( 0.316 -8.732 -10.138) 13.384 16.841 ( -7.289 1.179 -5.206) 9.034 17.194 ( -1.643 -8.807 28.281) 29.666 17.250 ( 8.707 -9.262 -15.609) 20.130 18.246 ( -9.267 3.269 3.006) 10.276 18.533 ( -4.044 -2.420 -3.953) 6.151 18.566 ( -3.774 8.115 -2.983) 9.434 18.855 ( -1.526 12.083 2.194) 12.376 19.323 ( 7.199 -1.808 4.171) 8.515 21.839 ( 4.039 -13.029 8.299) 15.967 22.221 ( -2.945 12.566 2.478) 13.142 24.108 ( 3.441 -9.379 -0.857) 10.027 24.914 ( -3.243 3.492 1.781) 5.088 25.512 ( 0.898 -0.002 -0.740) 1.163 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.759 31.212 -1.797) 31.273 1.228 ( 3.501 11.209 5.630) 13.023 1.626 ( 1.413 3.529 -5.386) 6.592 1.968 ( 4.636 7.715 1.330) 9.099 2.401 ( 11.591 -5.398 1.084) 12.833 2.630 ( 8.831 0.398 5.430) 10.374 2.700 ( -3.265 -3.545 -1.911) 5.185 2.897 ( 5.666 0.482 0.790) 5.741 3.093 ( -9.615 6.060 -2.165) 11.569 3.170 ( 6.813 1.246 1.487) 7.084 3.391 ( -10.206 -3.185 -3.826) 11.355 3.511 ( 1.946 -0.401 11.253) 11.427 3.627 ( -6.397 -1.464 -6.585) 9.296 4.032 ( 1.420 -8.051 -1.679) 8.346 4.041 ( -2.545 -5.339 0.139) 5.916 4.150 ( -1.632 -12.121 -0.642) 12.247 4.603 ( 1.810 5.693 -0.923) 6.045 4.784 ( 2.877 4.211 -6.066) 7.925 4.822 ( 0.352 2.266 3.222) 3.954 5.254 ( 0.533 0.940 -0.502) 1.191 5.285 ( -0.911 1.661 0.672) 2.010 5.601 ( -0.105 11.010 -0.169) 11.011 5.835 ( 0.356 6.060 -0.053) 6.070 6.059 ( 2.673 -2.787 1.660) 4.203 6.325 ( 1.949 6.155 -0.031) 6.456 6.608 ( -0.628 0.387 7.438) 7.474 6.976 ( 5.058 -3.066 0.289) 5.921 7.168 ( -4.485 -0.912 -0.588) 4.615 7.713 ( 1.111 -3.164 -2.946) 4.464 7.749 ( -2.841 -0.443 3.732) 4.711 8.170 ( 1.748 -3.768 2.694) 4.951 8.246 ( -3.348 4.938 -4.084) 7.230 8.286 ( -1.279 12.276 -0.313) 12.346 8.583 ( -0.438 6.463 2.087) 6.806 8.855 ( 0.598 5.383 -1.324) 5.576 9.265 ( 2.520 2.313 0.180) 3.426 9.432 ( 4.592 0.786 -2.492) 5.283 9.493 ( 1.061 -0.746 -2.394) 2.723 9.596 ( -3.110 -7.575 8.829) 12.042 10.052 ( 0.703 -1.007 0.314) 1.268 10.372 ( -1.443 24.953 4.460) 25.389 10.467 ( 4.578 -2.050 -13.271) 14.187 10.561 ( -6.994 5.386 2.618) 9.208 10.906 ( -3.896 1.660 2.276) 4.808 11.527 ( 4.145 -2.473 -11.052) 12.060 11.575 ( -3.736 -2.668 8.778) 9.906 11.581 ( -0.729 -1.475 -2.514) 3.005 12.437 ( 2.443 -10.502 1.349) 10.867 12.750 ( -2.736 -9.172 -0.683) 9.595 12.878 ( -0.485 -8.264 -5.035) 9.689 13.030 ( -0.704 4.445 4.635) 6.461 13.563 ( 2.722 6.283 -2.490) 7.286 13.831 ( 4.760 -4.724 -3.344) 7.494 14.430 ( 13.979 0.287 -1.901) 14.110 14.729 ( -16.437 -1.700 6.245) 17.665 15.464 ( -1.528 -9.343 2.613) 9.821 15.731 ( -3.351 -0.344 -3.222) 4.662 16.163 ( 19.688 -4.806 2.931) 20.477 16.516 ( -1.025 -1.472 -4.832) 5.154 16.604 ( -15.518 3.870 -2.634) 16.208 17.217 ( -0.592 -0.437 6.372) 6.414 17.360 ( 4.361 -16.436 -3.329) 17.327 18.115 ( -4.468 1.813 2.134) 5.273 18.476 ( -1.005 -4.298 -1.926) 4.816 18.491 ( -2.343 13.760 -1.368) 14.025 18.889 ( 1.650 2.731 1.345) 3.463 19.428 ( 2.643 -2.187 1.517) 3.751 21.898 ( 0.913 -9.208 2.645) 9.623 22.188 ( -1.062 10.754 0.606) 10.823 24.145 ( 0.895 -7.832 -0.327) 7.890 24.880 ( -0.932 2.103 0.767) 2.425 25.523 ( 0.343 0.469 -0.293) 0.651 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 24.970 0.000) 24.970 1.320 ( 0.000 24.609 0.000) 24.609 1.669 ( 0.000 3.662 0.000) 3.662 1.935 ( 0.000 14.875 0.000) 14.875 2.046 ( 0.000 10.112 0.000) 10.112 2.491 ( 0.000 28.745 0.000) 28.745 2.707 ( 0.000 1.778 0.000) 1.778 2.876 ( 0.000 -1.057 0.000) 1.057 3.001 ( 0.000 2.511 0.000) 2.511 3.346 ( 0.000 -10.783 0.000) 10.783 3.464 ( 0.000 -5.639 0.000) 5.639 3.547 ( 0.000 -10.104 0.000) 10.104 3.671 ( 0.000 -9.008 0.000) 9.008 3.758 ( 0.000 10.717 0.000) 10.717 3.911 ( 0.000 -22.578 0.000) 22.578 4.061 ( 0.000 7.810 0.000) 7.810 4.392 ( 0.000 -14.103 0.000) 14.103 4.643 ( 0.000 2.541 0.000) 2.541 4.930 ( 0.000 -1.338 0.000) 1.338 5.121 ( 0.000 3.199 0.000) 3.199 5.439 ( 0.000 2.206 0.000) 2.206 5.518 ( 0.000 7.323 0.000) 7.323 5.857 ( 0.000 6.585 0.000) 6.585 5.995 ( 0.000 5.198 0.000) 5.198 6.392 ( 0.000 11.677 0.000) 11.677 6.476 ( 0.000 -0.244 0.000) 0.244 6.632 ( 0.000 2.364 0.000) 2.364 6.966 ( 0.000 -9.723 0.000) 9.723 7.829 ( 0.000 1.895 0.000) 1.895 8.109 ( 0.000 4.237 0.000) 4.237 8.302 ( 0.000 -9.255 0.000) 9.255 8.437 ( 0.000 1.617 0.000) 1.617 8.494 ( 0.000 3.303 0.000) 3.303 8.616 ( 0.000 15.798 0.000) 15.798 8.952 ( 0.000 7.582 0.000) 7.582 9.220 ( 0.000 12.963 0.000) 12.963 9.227 ( 0.000 5.801 0.000) 5.801 9.661 ( 0.000 -5.783 0.000) 5.783 9.737 ( 0.000 3.365 0.000) 3.365 9.759 ( 0.000 -9.691 0.000) 9.691 10.411 ( 0.000 -1.910 0.000) 1.910 10.437 ( 0.000 -10.823 0.000) 10.823 11.195 ( 0.000 0.005 0.000) 0.005 11.432 ( 0.000 2.906 0.000) 2.906 11.557 ( 0.000 9.708 0.000) 9.708 11.697 ( 0.000 3.948 0.000) 3.948 11.772 ( 0.000 9.103 0.000) 9.103 12.150 ( 0.000 1.522 0.000) 1.522 12.289 ( 0.000 6.762 0.000) 6.762 12.993 ( 0.000 0.553 0.000) 0.553 13.034 ( 0.000 -5.544 0.000) 5.544 13.157 ( 0.000 -11.983 0.000) 11.983 14.300 ( 0.000 11.318 0.000) 11.318 14.546 ( 0.000 1.398 0.000) 1.398 14.767 ( 0.000 -3.348 0.000) 3.348 15.460 ( 0.000 6.788 0.000) 6.788 15.525 ( 0.000 -10.273 0.000) 10.273 15.944 ( 0.000 -2.918 0.000) 2.918 16.162 ( 0.000 -7.574 0.000) 7.574 16.694 ( 0.000 -11.928 0.000) 11.928 17.011 ( 0.000 0.093 0.000) 0.093 17.043 ( 0.000 -8.445 0.000) 8.445 18.273 ( 0.000 -1.699 0.000) 1.699 18.713 ( 0.000 0.932 0.000) 0.932 18.734 ( 0.000 1.562 0.000) 1.562 18.884 ( 0.000 -6.280 0.000) 6.280 19.856 ( 0.000 4.351 0.000) 4.351 20.949 ( 0.000 -13.944 0.000) 13.944 22.661 ( 0.000 15.755 0.000) 15.755 23.779 ( 0.000 -6.266 0.000) 6.266 25.119 ( 0.000 1.008 0.000) 1.008 25.428 ( 0.000 -3.079 0.000) 3.079 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 19.891 16.116 2.790) 25.752 1.347 ( 2.175 21.988 2.331) 22.218 1.672 ( 1.329 3.880 -4.949) 6.428 1.880 ( -2.139 20.107 -4.931) 20.813 2.172 ( 8.251 2.172 6.034) 10.450 2.504 ( 2.529 25.008 -2.941) 25.307 2.754 ( 2.660 5.694 8.356) 10.455 2.831 ( -2.961 -2.171 -4.144) 5.536 3.028 ( 1.866 1.155 -1.172) 2.487 3.349 ( -0.216 -11.361 0.571) 11.378 3.452 ( -0.770 -2.796 -3.024) 4.190 3.513 ( -3.830 -6.539 2.567) 8.001 3.620 ( -2.605 -10.562 -4.126) 11.634 3.820 ( 0.743 -3.939 3.210) 5.136 3.959 ( 7.580 -6.718 4.737) 11.182 4.117 ( 1.895 3.354 2.269) 4.471 4.421 ( 2.498 -12.591 -2.552) 13.087 4.616 ( -0.317 1.667 -4.945) 5.228 4.934 ( 0.317 1.481 6.017) 6.204 5.151 ( 4.357 2.386 -4.932) 6.999 5.419 ( -2.354 3.842 2.312) 5.065 5.597 ( 6.719 0.817 2.384) 7.176 5.873 ( 1.392 8.278 -2.176) 8.672 6.014 ( 1.573 5.345 0.778) 5.626 6.384 ( 0.255 10.072 -1.138) 10.139 6.496 ( 0.964 0.038 6.135) 6.211 6.686 ( 5.358 1.520 0.668) 5.610 7.041 ( 6.610 -8.980 1.262) 11.222 7.788 ( -4.707 2.080 -0.034) 5.147 8.013 ( -8.200 2.091 1.098) 8.533 8.201 ( -7.688 -5.694 3.405) 10.155 8.497 ( 3.055 4.363 -3.464) 6.353 8.536 ( 3.280 -0.710 -1.690) 3.757 8.633 ( 1.047 15.412 1.789) 15.550 8.930 ( -0.134 10.694 -3.591) 11.281 9.199 ( 1.933 6.048 -1.132) 6.449 9.353 ( 6.686 8.223 6.530) 12.448 9.580 ( -6.635 -1.577 0.705) 6.856 9.616 ( -6.995 -3.711 -0.642) 7.945 9.871 ( 7.740 -2.037 -3.430) 8.707 10.321 ( -3.967 -9.942 -2.556) 11.005 10.589 ( 9.481 -2.165 0.224) 9.728 11.125 ( -9.079 2.009 5.543) 10.826 11.274 ( -13.128 8.192 -1.695) 15.567 11.535 ( -1.269 8.767 -3.438) 9.502 11.681 ( -1.234 3.938 -1.383) 4.353 11.700 ( -5.241 5.013 -2.160) 7.567 12.168 ( 5.153 1.966 1.226) 5.650 12.491 ( 12.224 1.022 4.570) 13.091 12.902 ( -4.314 -5.722 -9.233) 11.688 13.012 ( -3.968 -4.466 -1.840) 6.252 13.237 ( 7.191 -5.621 -3.582) 9.805 14.058 ( -11.222 2.289 2.442) 11.710 14.430 ( -12.638 7.684 -6.006) 15.964 15.102 ( 23.548 2.000 4.922) 24.140 15.242 ( -13.111 -4.210 8.079) 15.965 15.549 ( -4.798 -6.465 0.311) 8.057 15.942 ( -0.287 -2.689 -12.175) 12.471 16.238 ( 7.714 -8.878 1.074) 11.810 16.799 ( 7.248 -9.739 2.564) 12.408 16.957 ( -3.137 -1.072 5.011) 6.008 17.121 ( 5.632 -6.216 -2.885) 8.870 18.267 ( -1.337 -3.204 0.314) 3.486 18.641 ( -3.428 -0.177 -4.796) 5.898 18.662 ( -5.908 1.470 -0.404) 6.102 18.994 ( 4.856 -6.704 5.902) 10.167 19.579 ( -17.545 14.133 -4.271) 22.931 21.217 ( 17.619 -18.951 8.562) 27.256 22.612 ( -4.706 15.978 1.341) 16.710 23.828 ( 4.516 -8.107 -0.746) 9.310 25.066 ( -4.751 2.421 1.462) 5.529 25.452 ( 2.086 -3.052 -0.718) 3.766 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 2.101 15.758 0.529) 15.906 1.519 ( 15.963 11.884 4.573) 20.419 1.687 ( 1.926 3.785 -5.395) 6.866 1.868 ( 4.066 17.260 -1.797) 17.823 2.313 ( 4.170 -2.374 2.355) 5.345 2.590 ( 6.367 13.799 -0.694) 15.213 2.725 ( -4.471 -0.626 -1.250) 4.685 2.871 ( 4.395 8.984 5.385) 11.359 3.028 ( -0.763 -5.660 -5.606) 8.002 3.322 ( -2.597 -9.968 0.223) 10.304 3.395 ( -3.048 1.090 -2.994) 4.409 3.491 ( -0.497 0.088 9.665) 9.678 3.586 ( 0.672 -9.231 -7.205) 11.729 3.845 ( 1.111 -5.012 5.978) 7.880 4.042 ( -4.798 -2.565 -2.989) 6.208 4.108 ( 0.963 1.179 -0.091) 1.525 4.440 ( 0.545 -10.321 -3.288) 10.846 4.673 ( 7.406 0.635 -1.368) 7.558 4.993 ( 3.694 7.720 4.030) 9.460 5.251 ( 6.562 0.975 -3.122) 7.332 5.361 ( -4.441 3.471 1.569) 5.851 5.751 ( 7.802 -4.730 4.527) 10.185 5.878 ( -0.106 10.595 -1.932) 10.770 6.038 ( 0.235 5.994 -0.311) 6.006 6.416 ( 3.658 9.121 -1.569) 9.952 6.552 ( 2.051 -0.463 9.980) 10.199 6.811 ( 6.529 -0.763 1.371) 6.715 7.163 ( 4.362 -5.785 -0.778) 7.287 7.656 ( -7.311 -0.772 -1.071) 7.430 7.878 ( -6.573 2.176 1.546) 7.094 8.085 ( -4.695 -5.499 4.524) 8.529 8.446 ( -6.565 2.339 -5.114) 8.644 8.606 ( 4.418 2.431 0.721) 5.094 8.660 ( 1.850 14.490 -2.162) 14.766 8.959 ( 3.095 13.351 -0.937) 13.737 9.272 ( 5.329 3.403 0.977) 6.398 9.420 ( -0.752 3.042 -5.028) 5.924 9.484 ( -5.875 -3.731 3.759) 7.910 9.556 ( 2.021 3.703 8.530) 9.516 10.008 ( 5.779 0.180 -0.663) 5.819 10.267 ( 2.113 -10.126 -10.320) 14.612 10.730 ( 2.400 -0.529 -0.740) 2.566 10.914 ( -9.310 11.796 6.796) 16.492 11.075 ( -7.787 8.531 -2.470) 11.812 11.501 ( -0.859 5.311 -4.987) 7.336 11.596 ( -4.972 1.757 0.175) 5.277 11.634 ( -3.657 1.030 0.580) 3.843 12.272 ( 3.971 0.007 -1.147) 4.133 12.617 ( -3.011 -8.182 5.505) 10.312 12.780 ( -5.138 -8.643 -9.435) 13.788 12.995 ( 5.184 0.098 4.325) 6.752 13.397 ( 12.154 -1.974 -5.677) 13.559 13.914 ( -7.048 1.482 -5.056) 8.799 14.288 ( 0.841 4.145 2.362) 4.844 14.913 ( -17.203 -10.309 6.334) 21.032 15.376 ( -11.280 -9.084 1.588) 14.570 15.664 ( 26.057 2.253 5.586) 26.744 15.857 ( -3.837 1.304 -9.964) 10.756 16.383 ( 6.585 -8.005 -3.636) 10.984 16.837 ( -3.082 -1.945 -6.614) 7.551 16.989 ( 2.865 -5.083 15.158) 16.242 17.204 ( 3.842 -3.727 -5.660) 7.790 18.216 ( -3.746 -2.898 0.142) 4.738 18.501 ( -8.879 -0.334 -1.723) 9.051 18.616 ( 0.089 -1.432 -0.630) 1.567 19.003 ( -3.753 -2.433 0.640) 4.518 19.415 ( -0.001 13.126 1.725) 13.238 21.501 ( 9.405 -19.105 5.757) 22.059 22.522 ( -4.676 15.651 1.124) 16.373 23.908 ( 3.614 -10.023 -0.764) 10.682 24.986 ( -3.807 3.636 1.628) 5.510 25.487 ( 1.684 -2.605 -0.635) 3.166 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.260 12.344 -0.448) 12.354 1.673 ( 1.670 21.554 2.906) 21.813 1.705 ( 1.211 3.355 -3.506) 5.001 2.041 ( 9.270 1.907 0.966) 9.514 2.357 ( 0.824 -0.941 -0.016) 1.251 2.571 ( -5.369 -5.980 1.984) 8.278 2.761 ( 5.225 9.709 -3.334) 11.519 2.935 ( 0.757 5.107 2.361) 5.677 2.995 ( -0.471 -10.996 -3.288) 11.487 3.284 ( -1.433 -6.132 1.938) 6.588 3.362 ( 0.089 10.574 -0.932) 10.616 3.512 ( -0.236 -3.510 5.127) 6.218 3.585 ( 1.024 -1.588 -4.778) 5.138 3.848 ( -3.439 -5.071 1.468) 6.300 3.974 ( 2.243 -3.629 1.184) 4.428 4.076 ( -3.643 5.127 -2.652) 6.826 4.435 ( 0.014 -12.017 -1.556) 12.117 4.826 ( 6.549 -0.720 0.839) 6.642 5.057 ( 1.235 12.610 -0.307) 12.674 5.284 ( -2.929 3.505 1.284) 4.745 5.335 ( 2.403 1.501 -1.070) 3.028 5.858 ( -0.098 12.481 0.029) 12.482 5.904 ( 5.039 -7.613 2.252) 9.403 6.014 ( -2.176 6.554 -0.968) 6.973 6.488 ( 3.157 9.161 -1.432) 9.795 6.619 ( 1.478 0.797 5.736) 5.977 6.920 ( 4.406 -1.768 1.547) 4.993 7.141 ( -4.912 -1.524 -1.969) 5.507 7.614 ( 4.020 -4.535 -0.880) 6.124 7.742 ( -8.080 -1.649 0.422) 8.257 8.088 ( 2.506 -3.089 5.048) 6.427 8.287 ( -6.657 -0.363 -4.861) 8.251 8.662 ( 0.724 17.647 0.647) 17.674 8.703 ( 2.818 4.044 -1.438) 5.134 9.000 ( 1.035 12.534 -0.242) 12.579 9.365 ( 2.737 4.098 0.149) 4.930 9.399 ( -0.769 -3.023 -2.310) 3.881 9.429 ( 0.547 -3.751 1.564) 4.101 9.585 ( -1.563 3.536 5.137) 6.429 10.038 ( -1.168 -0.111 0.723) 1.378 10.367 ( 8.931 -5.614 -9.647) 14.295 10.649 ( -5.782 6.259 4.680) 9.722 10.896 ( -0.871 -1.190 0.611) 1.596 10.965 ( -1.402 24.363 -1.247) 24.436 11.459 ( -2.185 -3.672 -1.218) 4.443 11.540 ( -0.012 1.357 -3.939) 4.166 11.570 ( -3.263 1.277 4.784) 5.930 12.298 ( -0.132 -2.782 -0.820) 2.904 12.540 ( -2.934 -11.029 2.040) 11.594 12.674 ( -3.001 -11.507 -4.629) 12.761 13.136 ( 4.848 6.083 4.323) 8.899 13.616 ( 8.877 -0.948 -1.883) 9.124 13.772 ( -4.103 -0.341 -4.617) 6.186 14.403 ( 8.125 -2.634 1.873) 8.744 14.631 ( -13.644 -8.959 3.327) 16.658 15.202 ( -5.612 -15.210 0.577) 16.223 15.764 ( -2.270 3.750 -4.565) 6.329 16.100 ( 15.452 0.271 3.949) 15.951 16.452 ( 2.062 -4.300 -2.378) 5.329 16.705 ( -7.340 5.041 -2.818) 9.339 17.099 ( 3.237 -7.551 10.858) 13.616 17.217 ( 0.258 -1.819 -8.437) 8.635 18.144 ( -3.202 1.257 1.234) 3.655 18.374 ( -3.096 -4.448 -1.649) 5.665 18.613 ( -0.404 -1.413 0.055) 1.471 18.954 ( -1.009 -0.092 -0.047) 1.014 19.455 ( 1.577 7.904 1.289) 8.162 21.622 ( 2.619 -17.565 1.884) 17.858 22.460 ( -1.834 15.060 0.362) 15.176 23.952 ( 1.184 -10.571 -0.314) 10.642 24.941 ( -1.293 3.842 0.695) 4.112 25.508 ( 0.622 -2.228 -0.239) 2.325 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 23.161 0.000) 23.161 1.698 ( 0.000 12.308 0.000) 12.308 1.753 ( 0.000 4.405 0.000) 4.405 2.042 ( 0.000 1.453 0.000) 1.453 2.219 ( 0.000 7.057 0.000) 7.057 2.732 ( 0.000 -8.480 0.000) 8.480 2.734 ( 0.000 -0.580 0.000) 0.580 2.885 ( 0.000 4.417 0.000) 4.417 3.168 ( 0.000 -4.254 0.000) 4.254 3.213 ( 0.000 4.341 0.000) 4.341 3.316 ( 0.000 -10.213 0.000) 10.213 3.388 ( 0.000 -16.244 0.000) 16.244 3.476 ( 0.000 -0.621 0.000) 0.621 3.685 ( 0.000 15.754 0.000) 15.754 3.908 ( 0.000 -4.709 0.000) 4.709 4.157 ( 0.000 3.498 0.000) 3.498 4.314 ( 0.000 10.692 0.000) 10.692 4.681 ( 0.000 1.104 0.000) 1.104 4.873 ( 0.000 -4.327 0.000) 4.327 5.090 ( 0.000 -6.228 0.000) 6.228 5.535 ( 0.000 6.305 0.000) 6.305 5.646 ( 0.000 4.438 0.000) 4.438 5.999 ( 0.000 7.183 0.000) 7.183 6.094 ( 0.000 4.458 0.000) 4.458 6.454 ( 0.000 -1.646 0.000) 1.646 6.617 ( 0.000 9.476 0.000) 9.476 6.686 ( 0.000 2.784 0.000) 2.784 6.752 ( 0.000 -11.507 0.000) 11.507 7.853 ( 0.000 0.501 0.000) 0.501 8.093 ( 0.000 -8.010 0.000) 8.010 8.221 ( 0.000 4.782 0.000) 4.782 8.428 ( 0.000 -0.594 0.000) 0.594 8.591 ( 0.000 6.705 0.000) 6.705 8.954 ( 0.000 15.554 0.000) 15.554 9.144 ( 0.000 9.819 0.000) 9.819 9.315 ( 0.000 1.576 0.000) 1.576 9.399 ( 0.000 -15.000 0.000) 15.000 9.423 ( 0.000 2.137 0.000) 2.137 9.671 ( 0.000 1.596 0.000) 1.596 9.835 ( 0.000 5.746 0.000) 5.746 10.216 ( 0.000 -9.617 0.000) 9.617 10.376 ( 0.000 -2.587 0.000) 2.587 11.218 ( 0.000 2.435 0.000) 2.435 11.494 ( 0.000 1.635 0.000) 1.635 11.729 ( 0.000 1.325 0.000) 1.325 11.736 ( 0.000 7.137 0.000) 7.137 12.000 ( 0.000 11.517 0.000) 11.517 12.234 ( 0.000 6.829 0.000) 6.829 12.383 ( 0.000 1.772 0.000) 1.772 12.888 ( 0.000 -9.296 0.000) 9.296 12.974 ( 0.000 -4.834 0.000) 4.834 13.007 ( 0.000 0.456 0.000) 0.456 14.498 ( 0.000 7.775 0.000) 7.775 14.569 ( 0.000 1.470 0.000) 1.470 14.738 ( 0.000 0.646 0.000) 0.646 15.282 ( 0.000 -13.366 0.000) 13.366 15.612 ( 0.000 8.073 0.000) 8.073 15.886 ( 0.000 -2.422 0.000) 2.422 16.012 ( 0.000 -6.691 0.000) 6.691 16.395 ( 0.000 -16.965 0.000) 16.965 16.907 ( 0.000 -3.453 0.000) 3.453 16.996 ( 0.000 -1.584 0.000) 1.584 18.278 ( 0.000 2.153 0.000) 2.153 18.661 ( 0.000 -7.050 0.000) 7.050 18.778 ( 0.000 2.412 0.000) 2.412 18.812 ( 0.000 0.365 0.000) 0.365 19.974 ( 0.000 7.382 0.000) 7.382 20.674 ( 0.000 -13.288 0.000) 13.288 22.955 ( 0.000 13.184 0.000) 13.184 23.625 ( 0.000 -8.728 0.000) 8.728 25.149 ( 0.000 1.982 0.000) 1.982 25.355 ( 0.000 -3.944 0.000) 3.944 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 9.812 18.820 -0.821) 21.240 1.696 ( -0.612 11.879 2.980) 12.263 1.758 ( 1.190 4.314 -3.858) 5.908 2.098 ( 4.807 3.577 0.842) 6.050 2.234 ( 1.286 5.273 -1.800) 5.719 2.678 ( -3.993 -3.541 -0.993) 5.428 2.796 ( 3.913 -8.673 0.924) 9.560 2.852 ( -1.442 6.229 -2.395) 6.828 3.142 ( -4.721 3.506 0.680) 5.920 3.200 ( 1.173 -5.203 0.038) 5.333 3.327 ( 0.795 -7.554 0.221) 7.599 3.373 ( -1.213 -11.103 -3.032) 11.574 3.489 ( 0.703 -3.470 2.466) 4.315 3.712 ( 3.961 13.727 0.246) 14.290 3.955 ( 4.372 -7.434 -2.278) 8.920 4.230 ( 4.141 7.730 3.914) 9.603 4.345 ( 1.993 8.842 0.786) 9.098 4.626 ( -2.951 -0.852 -3.059) 4.334 4.917 ( 5.322 -2.594 2.060) 6.268 5.134 ( 4.073 -5.191 -0.235) 6.603 5.505 ( -2.726 4.852 0.350) 5.576 5.635 ( -0.831 2.029 0.054) 2.193 6.040 ( 3.368 8.042 0.641) 8.743 6.125 ( 2.549 5.357 1.392) 6.094 6.467 ( 1.978 -0.857 -1.197) 2.466 6.615 ( -0.032 9.221 -0.022) 9.222 6.721 ( 2.894 1.400 3.080) 4.452 6.837 ( 8.405 -10.576 -1.087) 13.553 7.832 ( -3.465 1.736 0.791) 3.956 7.987 ( -7.803 -4.777 1.389) 9.254 8.142 ( -7.051 2.467 -0.667) 7.500 8.510 ( 3.114 -1.872 -1.297) 3.858 8.596 ( 1.675 6.025 -0.526) 6.276 8.909 ( -2.327 10.918 -3.776) 11.784 9.155 ( 1.494 7.846 -4.697) 9.266 9.329 ( 1.733 5.869 4.150) 7.394 9.405 ( 0.296 -9.399 3.564) 10.056 9.469 ( 0.828 -1.646 4.047) 4.447 9.637 ( -0.726 6.723 0.437) 6.776 9.889 ( 4.494 0.730 -2.738) 5.313 10.120 ( -3.788 -5.991 -4.422) 8.355 10.515 ( 9.749 -5.019 -1.855) 11.121 11.177 ( -5.279 3.618 5.239) 8.271 11.410 ( -8.305 4.640 3.675) 10.199 11.688 ( -3.940 0.798 -2.004) 4.492 11.721 ( -1.680 6.219 1.649) 6.650 11.898 ( -7.971 11.183 -4.535) 14.462 12.202 ( 0.606 1.486 1.710) 2.345 12.525 ( 6.258 1.003 3.144) 7.075 12.802 ( -7.163 -5.569 -2.647) 9.451 12.935 ( 1.828 -0.625 -7.009) 7.270 13.151 ( 9.730 -2.964 -1.352) 10.261 14.099 ( -17.387 2.916 4.745) 18.257 14.535 ( -10.245 1.990 -1.722) 10.577 15.012 ( -21.051 -12.583 1.130) 24.551 15.109 ( 19.109 -3.364 3.105) 19.650 15.605 ( -0.338 9.681 2.587) 10.026 15.915 ( 3.258 -0.136 -10.126) 10.638 16.094 ( 7.818 -5.479 -0.922) 9.592 16.560 ( 13.497 -14.668 3.043) 20.164 16.911 ( -0.077 -2.367 3.778) 4.459 17.012 ( 2.149 -3.617 -2.147) 4.724 18.250 ( -2.504 1.617 -1.927) 3.549 18.594 ( -3.137 -4.835 -7.062) 9.115 18.704 ( -7.162 2.491 0.953) 7.642 18.873 ( 1.473 -4.408 7.615) 8.922 19.849 ( -8.148 13.474 -2.015) 15.874 20.849 ( 12.960 -17.634 5.092) 22.469 22.917 ( -3.642 13.964 -0.020) 14.431 23.649 ( 2.338 -9.672 -0.481) 9.962 25.119 ( -2.812 2.963 0.916) 4.186 25.375 ( 1.800 -4.368 -0.447) 4.746 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 2.846 10.706 -6.434) 12.810 1.723 ( 3.876 7.831 7.063) 11.236 1.794 ( 6.124 7.536 -1.029) 9.765 2.168 ( 1.315 11.340 -4.823) 12.394 2.258 ( 2.652 -3.098 2.067) 4.572 2.578 ( -6.851 -4.113 4.854) 9.350 2.815 ( -2.485 -8.832 -1.559) 9.306 2.869 ( 5.519 5.213 -11.509) 13.787 3.082 ( -1.042 0.932 2.961) 3.274 3.234 ( -0.931 1.839 4.272) 4.744 3.304 ( -2.477 -10.416 -1.605) 10.826 3.372 ( 4.684 -1.894 -1.494) 5.269 3.511 ( 1.410 -5.990 -0.883) 6.217 3.848 ( 9.188 7.906 1.489) 12.212 4.022 ( 2.709 -8.990 -2.013) 9.603 4.155 ( -11.073 11.778 -0.283) 16.168 4.407 ( 2.209 6.529 -0.167) 6.895 4.649 ( 4.795 -2.907 2.422) 6.108 5.084 ( 10.187 1.070 3.479) 10.817 5.230 ( 6.152 -3.330 -2.056) 7.291 5.446 ( -3.528 4.059 0.219) 5.383 5.635 ( 1.090 -4.518 1.524) 4.891 6.093 ( 1.559 9.544 0.124) 9.672 6.172 ( 1.357 6.582 0.845) 6.773 6.531 ( 4.674 0.562 0.858) 4.785 6.634 ( 2.314 8.582 0.091) 8.889 6.799 ( 3.941 -0.743 4.335) 5.906 7.016 ( 9.842 -7.846 -2.505) 12.834 7.680 ( -10.723 2.900 -1.748) 11.245 7.925 ( -0.904 -0.348 4.235) 4.345 7.966 ( -10.234 -2.075 0.546) 10.457 8.427 ( -8.787 -3.489 -4.161) 10.330 8.665 ( 4.442 4.030 -3.154) 6.777 8.907 ( 3.111 8.482 -2.684) 9.425 9.188 ( 3.126 4.859 -1.160) 5.893 9.355 ( -0.108 -2.496 2.358) 3.435 9.398 ( -3.638 -0.706 1.543) 4.014 9.493 ( 2.906 10.060 2.720) 10.819 9.651 ( -2.247 2.452 3.911) 5.134 9.946 ( 4.105 -5.716 0.836) 7.087 10.157 ( 9.530 1.918 -10.457) 14.278 10.644 ( 3.965 -6.859 -5.294) 9.528 11.053 ( -8.883 7.009 7.213) 13.418 11.306 ( -2.311 9.418 6.982) 11.949 11.584 ( -5.652 -0.980 -0.330) 5.746 11.682 ( -6.000 4.240 -0.993) 7.414 11.738 ( -4.956 11.316 -1.189) 12.411 12.223 ( 0.825 -5.884 -0.415) 5.956 12.499 ( -8.735 -2.257 1.618) 9.166 12.631 ( -9.205 -5.842 -5.943) 12.417 13.053 ( 11.211 5.439 1.758) 12.584 13.355 ( 13.333 -2.191 -4.788) 14.335 13.920 ( -6.078 0.367 3.285) 6.918 14.373 ( -4.833 3.136 0.599) 5.792 14.621 ( -18.761 -14.877 2.576) 24.082 15.113 ( -12.761 -14.333 -0.001) 19.190 15.865 ( 20.244 13.464 4.302) 24.690 15.903 ( -0.565 2.976 -9.204) 9.689 16.250 ( 8.792 -4.609 -2.951) 10.357 16.773 ( 5.796 -4.421 0.525) 7.309 16.936 ( 1.197 -1.503 6.637) 6.910 17.075 ( 5.397 -7.974 -2.844) 10.040 18.186 ( -2.777 0.493 -3.604) 4.577 18.514 ( -7.106 -1.317 -1.720) 7.429 18.548 ( -5.501 -2.130 -0.147) 5.901 18.881 ( -2.083 -7.146 4.032) 8.465 19.753 ( -1.731 18.679 0.280) 18.762 21.081 ( 8.919 -21.848 4.056) 23.944 22.839 ( -3.999 15.417 -0.135) 15.927 23.693 ( 2.111 -11.367 -0.563) 11.575 25.068 ( -2.579 4.557 0.991) 5.329 25.408 ( 1.649 -4.971 -0.373) 5.251 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -0.644 10.501 -1.055) 10.574 1.761 ( 0.618 2.942 -0.573) 3.060 1.965 ( 7.109 8.456 3.686) 11.646 2.123 ( -3.001 4.378 -5.302) 7.502 2.348 ( 5.144 0.537 1.992) 5.542 2.467 ( -5.964 -3.355 3.172) 7.543 2.758 ( -1.575 -8.665 -2.055) 9.044 2.958 ( 6.555 6.417 -9.214) 13.001 3.070 ( -2.869 2.630 3.590) 5.295 3.150 ( -4.364 -2.715 2.101) 5.553 3.315 ( 1.106 -11.931 -0.127) 11.983 3.456 ( 0.526 -2.835 4.229) 5.118 3.609 ( 12.340 2.567 -5.699) 13.833 3.866 ( -13.712 4.553 -0.042) 14.449 4.041 ( 5.862 9.422 4.436) 11.951 4.070 ( 1.363 -6.343 -3.537) 7.389 4.377 ( -3.627 7.506 -0.217) 8.339 4.754 ( 3.727 -5.662 1.697) 6.988 5.246 ( 4.476 4.303 0.240) 6.214 5.325 ( 3.779 0.097 -0.089) 3.781 5.387 ( -2.333 4.284 -0.148) 4.880 5.680 ( 2.076 -10.770 1.390) 11.056 6.102 ( -0.143 10.272 -0.095) 10.273 6.176 ( -0.504 7.560 -0.099) 7.578 6.626 ( 3.951 1.918 2.600) 5.104 6.671 ( 0.366 5.039 -1.291) 5.215 6.917 ( 7.288 1.865 3.863) 8.456 7.113 ( -1.402 -1.325 -3.068) 3.624 7.540 ( 0.063 -1.354 -0.960) 1.661 7.736 ( -10.912 0.254 -0.653) 10.934 7.999 ( 4.340 -4.790 5.371) 8.404 8.230 ( -8.419 -5.548 -4.784) 11.160 8.732 ( 3.079 1.623 -2.512) 4.293 8.958 ( 1.810 10.083 -0.609) 10.263 9.240 ( 1.438 4.932 0.966) 5.227 9.339 ( -1.380 -1.603 2.113) 2.990 9.368 ( 0.047 -2.905 -0.814) 3.017 9.534 ( 0.586 16.051 1.350) 16.118 9.576 ( -3.454 -5.403 -0.268) 6.418 10.057 ( 3.902 1.865 2.585) 5.038 10.301 ( 6.373 -0.145 -6.666) 9.223 10.659 ( 0.978 -7.068 -3.578) 7.982 10.939 ( -4.451 9.485 4.210) 11.292 11.359 ( 4.520 11.269 3.106) 12.533 11.484 ( -8.943 6.428 0.298) 11.017 11.512 ( -2.937 -3.514 1.559) 4.838 11.714 ( -0.308 10.586 -0.585) 10.607 12.255 ( 2.548 -4.929 -0.969) 5.632 12.337 ( -5.243 -6.299 3.035) 8.739 12.439 ( -8.051 -10.140 -6.013) 14.276 13.283 ( 9.252 8.185 4.412) 13.117 13.585 ( 9.394 -1.322 -3.346) 10.059 13.791 ( -6.559 1.985 -1.571) 7.031 14.336 ( -4.533 -7.538 1.667) 8.952 14.390 ( -2.658 -8.673 2.443) 9.395 14.882 ( -8.164 -15.823 -0.841) 17.825 15.860 ( -0.974 5.042 -3.785) 6.380 16.147 ( 6.529 0.599 1.535) 6.733 16.411 ( 7.685 3.936 -1.269) 8.727 16.794 ( -1.416 3.671 -0.289) 3.946 16.996 ( 2.201 -3.350 5.046) 6.444 17.145 ( 1.881 -5.909 -3.113) 6.939 18.141 ( -0.851 -1.376 -2.003) 2.575 18.362 ( -5.352 3.958 0.776) 6.702 18.498 ( -1.353 -8.773 -0.396) 8.886 18.853 ( -1.068 -7.768 0.924) 7.895 19.750 ( 0.304 19.134 0.540) 19.144 21.200 ( 2.829 -23.294 1.434) 23.509 22.782 ( -1.651 16.371 -0.090) 16.455 23.719 ( 0.732 -12.423 -0.245) 12.447 25.036 ( -0.942 5.475 0.418) 5.571 25.430 ( 0.634 -5.298 -0.132) 5.338 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 14.114 0.000) 14.114 1.832 ( 0.000 2.760 0.000) 2.760 1.849 ( 0.000 5.488 0.000) 5.488 2.030 ( 0.000 -3.825 0.000) 3.825 2.346 ( 0.000 5.999 0.000) 5.999 2.510 ( 0.000 -10.551 0.000) 10.551 2.732 ( 0.000 2.704 0.000) 2.704 2.907 ( 0.000 -14.294 0.000) 14.294 3.026 ( 0.000 7.150 0.000) 7.150 3.147 ( 0.000 -6.352 0.000) 6.352 3.194 ( 0.000 -0.641 0.000) 0.641 3.257 ( 0.000 -3.031 0.000) 3.031 3.463 ( 0.000 4.881 0.000) 4.881 3.665 ( 0.000 -13.078 0.000) 13.078 4.192 ( 0.000 20.449 0.000) 20.449 4.320 ( 0.000 5.654 0.000) 5.654 4.541 ( 0.000 10.497 0.000) 10.497 4.692 ( 0.000 -0.516 0.000) 0.516 4.760 ( 0.000 -4.643 0.000) 4.643 4.893 ( 0.000 -11.920 0.000) 11.920 5.649 ( 0.000 4.143 0.000) 4.143 5.691 ( 0.000 0.062 0.000) 0.062 6.142 ( 0.000 6.151 0.000) 6.151 6.175 ( 0.000 2.831 0.000) 2.831 6.419 ( 0.000 -0.757 0.000) 0.757 6.515 ( 0.000 -10.236 0.000) 10.236 6.739 ( 0.000 2.110 0.000) 2.110 6.743 ( 0.000 2.558 0.000) 2.558 7.873 ( 0.000 2.064 0.000) 2.064 7.950 ( 0.000 -5.511 0.000) 5.511 8.342 ( 0.000 5.905 0.000) 5.905 8.419 ( 0.000 -1.332 0.000) 1.332 8.776 ( 0.000 11.183 0.000) 11.183 9.028 ( 0.000 -12.071 0.000) 12.071 9.231 ( 0.000 0.476 0.000) 0.476 9.273 ( 0.000 1.475 0.000) 1.475 9.358 ( 0.000 0.782 0.000) 0.782 9.394 ( 0.000 4.328 0.000) 4.328 9.760 ( 0.000 3.411 0.000) 3.411 9.840 ( 0.000 -5.388 0.000) 5.388 10.164 ( 0.000 4.930 0.000) 4.930 10.288 ( 0.000 -5.810 0.000) 5.810 11.304 ( 0.000 6.083 0.000) 6.083 11.440 ( 0.000 -6.090 0.000) 6.090 11.792 ( 0.000 3.684 0.000) 3.684 11.824 ( 0.000 1.206 0.000) 1.206 12.214 ( 0.000 9.056 0.000) 9.056 12.354 ( 0.000 -4.412 0.000) 4.412 12.419 ( 0.000 11.003 0.000) 11.003 12.661 ( 0.000 -12.153 0.000) 12.153 12.956 ( 0.000 1.730 0.000) 1.730 12.997 ( 0.000 -1.570 0.000) 1.570 14.610 ( 0.000 3.103 0.000) 3.103 14.617 ( 0.000 2.224 0.000) 2.224 14.797 ( 0.000 5.967 0.000) 5.967 15.002 ( 0.000 -13.172 0.000) 13.172 15.789 ( 0.000 9.101 0.000) 9.101 15.857 ( 0.000 -0.361 0.000) 0.361 15.910 ( 0.000 -2.394 0.000) 2.394 16.061 ( 0.000 -14.463 0.000) 14.463 16.897 ( 0.000 1.733 0.000) 1.733 16.949 ( 0.000 -2.793 0.000) 2.793 18.357 ( 0.000 5.539 0.000) 5.539 18.497 ( 0.000 -7.947 0.000) 7.947 18.820 ( 0.000 1.473 0.000) 1.473 18.831 ( 0.000 0.502 0.000) 0.502 20.160 ( 0.000 10.810 0.000) 10.810 20.406 ( 0.000 -12.903 0.000) 12.903 23.205 ( 0.000 11.541 0.000) 11.541 23.428 ( 0.000 -10.381 0.000) 10.381 25.201 ( 0.000 3.118 0.000) 3.118 25.274 ( 0.000 -3.925 0.000) 3.925 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 1.283 6.694 -6.049) 9.113 1.829 ( -0.202 2.404 -0.648) 2.498 1.884 ( 2.828 11.410 5.827) 13.120 2.085 ( 4.021 -5.287 3.212) 7.378 2.357 ( 1.177 6.728 -3.321) 7.595 2.523 ( 0.498 -9.513 0.062) 9.526 2.723 ( -0.409 3.905 0.605) 3.973 2.931 ( 1.383 -14.438 -2.002) 14.641 3.002 ( -1.083 5.602 -0.397) 5.719 3.094 ( -1.820 -4.038 -2.517) 5.094 3.241 ( 2.899 -0.855 0.763) 3.117 3.296 ( 2.909 -2.778 1.198) 4.197 3.449 ( -0.499 5.525 -1.916) 5.869 3.669 ( 1.425 -13.493 -4.972) 14.450 4.185 ( -0.410 19.068 1.095) 19.104 4.387 ( 5.735 1.156 -1.270) 5.986 4.558 ( -2.182 9.536 1.590) 9.911 4.609 ( -4.138 1.268 1.724) 4.658 4.848 ( 8.722 -2.603 1.084) 9.166 4.955 ( 5.610 -10.943 1.889) 12.441 5.600 ( -3.992 3.918 -1.694) 5.844 5.650 ( -3.522 -0.822 -1.081) 3.774 6.189 ( 3.645 5.804 0.318) 6.861 6.223 ( 3.500 3.119 2.558) 5.341 6.452 ( 3.656 1.087 1.110) 3.972 6.584 ( 5.220 -10.497 5.234) 12.839 6.753 ( 1.849 3.305 -1.867) 4.222 6.771 ( 4.138 0.923 -3.653) 5.596 7.859 ( -2.191 1.388 1.946) 3.242 7.902 ( -4.527 -3.007 1.288) 5.586 8.257 ( -7.279 7.901 -2.838) 11.111 8.422 ( -2.303 -6.965 -2.059) 7.619 8.775 ( 0.602 11.046 -0.336) 11.067 8.989 ( -1.655 -6.630 -6.611) 9.508 9.221 ( 0.346 1.419 -2.532) 2.923 9.268 ( 1.274 0.720 -3.488) 3.783 9.378 ( 0.095 -0.961 6.334) 6.408 9.467 ( 3.401 -1.313 6.838) 7.749 9.761 ( 0.503 3.817 0.816) 3.936 9.820 ( -0.377 -2.924 1.422) 3.273 10.190 ( 4.228 8.895 -5.071) 11.077 10.377 ( 7.189 -8.487 -2.284) 11.354 11.279 ( -3.645 6.316 7.138) 10.204 11.408 ( -4.115 -4.850 7.381) 9.744 11.733 ( -5.549 3.950 -3.284) 7.561 11.788 ( -3.337 -0.241 -1.042) 3.504 12.109 ( -8.642 8.723 -3.437) 12.751 12.217 ( -6.625 -1.336 -1.009) 6.833 12.544 ( 3.362 2.387 1.733) 4.473 12.653 ( -2.032 -7.635 1.185) 7.989 13.001 ( 6.782 5.109 -4.800) 9.754 13.092 ( 8.807 -3.438 -2.488) 9.776 14.215 ( -20.070 8.845 4.943) 22.483 14.438 ( -16.684 -11.056 3.634) 20.342 14.892 ( -11.401 2.009 -2.635) 11.873 14.999 ( 0.801 -6.595 -0.454) 6.659 15.860 ( 9.937 13.301 3.532) 16.975 15.945 ( 5.365 3.654 -7.624) 10.013 16.002 ( 10.035 -3.344 -2.293) 10.823 16.223 ( 16.690 -17.204 2.130) 24.063 16.903 ( 0.226 1.443 2.035) 2.505 16.950 ( 0.037 -2.805 0.454) 2.842 18.325 ( -2.616 5.458 -3.945) 7.224 18.460 ( -2.518 -7.351 -5.851) 9.726 18.758 ( -6.487 2.685 2.736) 7.535 18.810 ( -3.481 -2.434 5.459) 6.916 20.148 ( -0.276 15.921 0.337) 15.927 20.491 ( 6.734 -17.454 2.630) 18.892 23.187 ( -1.675 12.681 -0.375) 12.796 23.433 ( 0.485 -11.437 -0.396) 11.454 25.191 ( -0.985 4.038 0.335) 4.170 25.281 ( 0.661 -4.689 -0.112) 4.737 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 0.842 3.937 -3.619) 5.414 1.825 ( -0.352 2.696 1.666) 3.189 1.978 ( 4.951 9.299 3.320) 11.046 2.154 ( 1.244 -7.453 3.051) 8.149 2.358 ( 0.541 7.845 -4.092) 8.865 2.501 ( -2.893 -5.707 0.380) 6.409 2.719 ( -0.260 4.758 -1.170) 4.907 2.934 ( 1.294 -10.678 -4.879) 11.811 3.000 ( 1.445 2.892 -2.723) 4.227 3.095 ( 0.657 -5.608 -1.027) 5.739 3.276 ( -0.511 1.160 3.022) 3.277 3.348 ( 0.924 -4.688 2.801) 5.539 3.486 ( 7.536 8.111 -4.503) 11.952 3.713 ( 5.630 -12.980 -5.586) 15.212 4.187 ( -0.330 14.018 2.320) 14.212 4.362 ( -9.292 1.367 -4.664) 10.487 4.525 ( 3.590 5.497 2.177) 6.917 4.608 ( -1.548 -0.160 5.833) 6.037 5.066 ( 12.535 -1.144 1.651) 12.695 5.117 ( 10.239 -6.176 2.022) 12.127 5.519 ( -3.444 3.349 -1.888) 5.161 5.577 ( -3.380 -2.234 -0.767) 4.123 6.246 ( 2.048 5.118 -0.730) 5.561 6.280 ( 1.410 2.560 1.266) 3.185 6.557 ( 5.477 3.498 4.592) 7.957 6.678 ( 1.787 -5.962 6.411) 8.935 6.823 ( 6.960 4.179 -1.919) 8.342 6.896 ( 10.593 -3.541 -5.531) 12.464 7.757 ( -8.494 4.072 -0.293) 9.424 7.837 ( -4.031 -4.140 3.109) 6.561 8.069 ( -10.404 8.416 -2.480) 13.609 8.277 ( -10.670 -10.533 -4.838) 15.755 8.805 ( 2.382 9.540 -1.729) 9.984 8.976 ( 2.555 -3.771 -4.290) 6.257 9.243 ( 2.076 2.641 -0.614) 3.414 9.300 ( 2.713 0.426 -2.783) 3.910 9.372 ( -2.087 -0.880 3.205) 3.925 9.482 ( -3.906 -8.782 5.360) 11.005 9.815 ( 4.651 9.338 1.950) 10.613 9.903 ( 7.693 -0.705 3.128) 8.335 10.272 ( 6.050 8.684 -8.061) 13.304 10.474 ( 3.473 -9.734 -5.844) 11.873 11.220 ( -5.163 8.764 9.631) 14.008 11.374 ( -1.928 -4.487 12.588) 13.502 11.601 ( -5.959 5.294 -2.624) 8.392 11.707 ( -5.508 -2.738 0.768) 6.199 11.949 ( -5.504 8.670 -3.566) 10.871 12.095 ( -4.896 -6.088 -2.987) 8.364 12.487 ( -8.739 1.122 -1.657) 8.965 12.542 ( -10.028 -3.520 -1.487) 10.731 13.187 ( 13.254 6.733 -0.703) 14.883 13.298 ( 13.850 -3.872 -3.246) 14.743 13.982 ( -7.753 6.803 6.752) 12.328 14.207 ( -9.233 -14.336 6.442) 18.228 14.597 ( -15.353 8.837 -3.962) 18.152 14.827 ( -14.086 -13.139 -2.644) 19.443 15.973 ( 1.216 3.729 -6.782) 7.835 16.036 ( 4.518 -0.558 -1.863) 4.919 16.303 ( 20.861 12.677 0.800) 24.424 16.600 ( 18.657 -13.248 2.896) 23.064 16.918 ( 0.610 0.274 2.386) 2.478 16.953 ( 0.094 -3.307 1.114) 3.491 18.243 ( -4.085 5.050 -5.765) 8.685 18.379 ( -3.867 -7.745 -5.611) 10.316 18.618 ( -8.556 5.401 3.732) 10.785 18.741 ( -4.967 -6.507 4.994) 9.589 20.165 ( 1.444 21.588 1.118) 21.666 20.622 ( 5.458 -22.888 2.473) 23.659 23.149 ( -1.955 14.913 -0.493) 15.049 23.440 ( 0.277 -13.465 -0.500) 13.478 25.173 ( -0.906 5.666 0.367) 5.750 25.294 ( 0.649 -6.017 -0.070) 6.053 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -0.321 4.715 0.301) 4.735 1.828 ( 0.198 2.684 -0.029) 2.691 2.073 ( 4.104 3.319 1.048) 5.381 2.142 ( -2.632 -2.759 0.943) 3.928 2.366 ( 1.100 2.634 -1.687) 3.316 2.441 ( -2.531 -2.703 0.157) 3.706 2.713 ( 0.127 7.114 -0.891) 7.171 2.952 ( 1.137 -11.885 -1.638) 12.051 3.033 ( 2.938 1.032 -4.178) 5.211 3.077 ( -1.993 -4.095 -0.342) 4.567 3.252 ( -1.955 4.545 3.066) 5.821 3.356 ( -0.085 -5.385 0.727) 5.434 3.678 ( 10.888 4.818 -1.856) 12.050 3.808 ( 3.080 -7.634 -2.116) 8.500 4.134 ( -6.519 9.304 0.752) 11.385 4.219 ( -1.920 3.738 -0.522) 4.234 4.535 ( -1.878 5.751 0.567) 6.077 4.627 ( 1.506 -5.441 2.415) 6.140 5.252 ( 5.252 -0.047 0.306) 5.261 5.302 ( 6.538 -3.710 1.982) 7.774 5.468 ( -1.333 3.464 -1.302) 3.933 5.531 ( -1.174 -3.676 -0.126) 3.861 6.260 ( 0.079 4.901 -0.630) 4.942 6.287 ( -0.358 2.461 0.087) 2.488 6.654 ( 2.995 1.817 3.270) 4.792 6.700 ( -0.581 -1.756 1.783) 2.569 6.997 ( 10.089 4.798 0.223) 11.174 7.075 ( 6.416 -2.692 -2.495) 7.392 7.586 ( -6.521 5.342 -1.175) 8.511 7.701 ( -9.587 -4.375 -0.148) 10.539 7.956 ( -0.421 1.702 1.641) 2.402 8.070 ( -7.736 -8.548 -3.349) 12.005 8.840 ( 1.559 9.024 -1.601) 9.297 9.025 ( 2.259 -5.487 -1.081) 6.032 9.266 ( -0.184 2.504 1.652) 3.006 9.339 ( 1.129 2.324 1.211) 2.854 9.347 ( 0.182 -1.042 -3.519) 3.674 9.418 ( -2.758 -7.525 2.326) 8.345 9.886 ( 1.535 14.245 1.350) 14.391 10.059 ( 5.371 -3.164 2.650) 6.773 10.347 ( 3.327 4.485 -4.714) 7.308 10.484 ( 0.567 -8.507 -4.558) 9.667 11.177 ( -1.396 11.987 4.395) 12.844 11.389 ( -0.835 -8.381 4.946) 9.767 11.520 ( -2.695 6.041 1.499) 6.782 11.583 ( -5.331 0.872 1.803) 5.695 11.918 ( 1.731 8.405 -1.655) 8.740 12.082 ( 4.936 -8.750 0.378) 10.054 12.286 ( -8.610 -0.646 -3.154) 9.192 12.313 ( -11.337 -2.775 -2.385) 11.913 13.447 ( 11.567 7.095 2.324) 13.767 13.550 ( 10.738 -2.927 -1.599) 11.244 13.870 ( -6.462 6.386 1.713) 9.245 14.066 ( -7.694 -12.685 2.516) 15.048 14.401 ( -3.455 5.181 -0.576) 6.254 14.584 ( -8.107 -12.493 -2.021) 15.029 15.963 ( -0.097 5.184 -2.775) 5.881 16.074 ( 0.919 -5.569 -1.415) 5.819 16.632 ( 10.681 14.343 0.245) 17.885 16.841 ( 4.555 -1.034 1.993) 5.078 16.942 ( 1.216 -2.160 0.558) 2.541 16.976 ( 2.083 -8.560 0.961) 8.862 18.154 ( -2.814 3.803 -2.957) 5.579 18.297 ( -2.668 -9.431 -2.094) 10.022 18.501 ( -3.856 8.358 1.786) 9.376 18.681 ( -2.104 -8.906 1.712) 9.310 20.192 ( 0.804 23.750 0.589) 23.771 20.698 ( 1.896 -25.354 0.957) 25.442 23.119 ( -0.843 16.470 -0.226) 16.493 23.441 ( 0.036 -14.842 -0.225) 14.844 25.162 ( -0.328 6.717 0.156) 6.727 25.303 ( 0.263 -6.873 -0.017) 6.878 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 14.634 0.000 26.014) 29.847 0.631 ( -2.566 0.000 33.213) 33.312 1.214 ( -3.620 0.000 61.560) 61.667 1.650 ( -3.630 0.000 -2.247) 4.269 1.881 ( -10.781 0.000 26.359) 28.479 2.241 ( 2.061 0.000 2.178) 2.998 2.798 ( 0.431 0.000 0.674) 0.800 2.804 ( -3.128 0.000 -7.626) 8.243 3.336 ( -13.607 0.000 10.770) 17.354 3.366 ( 6.218 0.000 -12.597) 14.049 3.466 ( 1.308 0.000 -3.059) 3.327 3.699 ( -3.246 0.000 -2.210) 3.927 3.946 ( 2.618 0.000 5.473) 6.067 4.011 ( 22.908 0.000 8.870) 24.565 4.258 ( 0.883 0.000 9.582) 9.623 4.429 ( -1.775 0.000 -0.229) 1.790 4.549 ( -3.872 0.000 -7.072) 8.062 4.559 ( -4.866 0.000 -4.861) 6.878 4.823 ( -2.956 0.000 -0.455) 2.990 5.286 ( 1.792 0.000 -6.150) 6.406 5.374 ( -10.785 0.000 12.909) 16.821 5.450 ( 4.765 0.000 -1.688) 5.055 5.492 ( 1.339 0.000 -6.380) 6.519 5.793 ( 3.540 0.000 -7.874) 8.633 6.366 ( -0.428 0.000 -4.030) 4.053 6.581 ( 0.755 0.000 1.032) 1.279 7.065 ( 26.565 0.000 5.036) 27.038 7.282 ( 0.270 0.000 2.201) 2.217 7.886 ( 0.303 0.000 -1.334) 1.368 8.028 ( 3.898 0.000 -2.216) 4.484 8.126 ( -2.583 0.000 -0.666) 2.667 8.136 ( 14.717 0.000 -2.115) 14.868 8.421 ( 0.482 0.000 -2.938) 2.977 8.421 ( -3.614 0.000 -0.909) 3.726 8.929 ( 0.249 0.000 3.468) 3.477 9.078 ( 0.882 0.000 15.214) 15.240 9.553 ( -0.811 0.000 -0.436) 0.920 9.648 ( 3.061 0.000 -1.001) 3.221 9.654 ( 0.137 0.000 3.833) 3.835 9.965 ( -2.163 0.000 -4.495) 4.988 10.433 ( 7.682 0.000 -9.081) 11.895 10.765 ( -21.080 0.000 5.774) 21.857 11.037 ( 10.836 0.000 -17.290) 20.405 11.262 ( -18.650 0.000 4.070) 19.089 11.524 ( -16.049 0.000 5.549) 16.982 11.569 ( 2.097 0.000 6.154) 6.501 11.679 ( 0.467 0.000 0.916) 1.029 12.141 ( 6.030 0.000 -0.874) 6.093 12.809 ( -72.173 0.000 6.588) 72.473 12.871 ( 8.851 0.000 -6.361) 10.900 13.105 ( -5.822 0.000 5.539) 8.036 13.124 ( -1.464 0.000 -0.451) 1.532 13.784 ( 1.211 0.000 -3.497) 3.700 13.933 ( -8.178 0.000 -5.489) 9.849 14.954 ( 7.692 0.000 6.250) 9.911 15.020 ( 30.852 0.000 1.695) 30.898 15.761 ( 4.136 0.000 0.855) 4.223 16.004 ( 6.953 0.000 7.312) 10.090 16.282 ( -4.603 0.000 -7.353) 8.675 16.843 ( 4.185 0.000 -0.972) 4.296 17.205 ( -5.033 0.000 6.465) 8.193 17.866 ( 1.580 0.000 2.692) 3.121 18.360 ( 3.664 0.000 -0.358) 3.681 18.591 ( -3.844 0.000 -7.297) 8.248 18.812 ( -5.349 0.000 6.117) 8.126 19.144 ( 5.556 0.000 10.739) 12.091 19.640 ( -27.514 0.000 -4.948) 27.955 21.611 ( 25.171 0.000 -31.373) 40.223 22.780 ( 16.979 0.000 28.716) 33.360 23.942 ( -1.559 0.000 3.622) 3.943 24.792 ( 2.986 0.000 -9.275) 9.744 25.386 ( 1.301 0.000 -11.186) 11.261 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -2.723 0.000 28.307) 28.438 1.004 ( 18.616 0.000 25.899) 31.895 1.502 ( 12.086 0.000 32.830) 34.984 1.671 ( 5.949 0.000 -2.182) 6.336 1.853 ( 3.653 0.000 34.410) 34.603 2.304 ( 3.768 0.000 3.712) 5.289 2.722 ( -1.345 0.000 -2.696) 3.012 2.814 ( 1.201 0.000 0.373) 1.257 3.198 ( -5.416 0.000 14.665) 15.633 3.450 ( -2.876 0.000 -0.957) 3.031 3.490 ( 7.563 0.000 -7.200) 10.442 3.635 ( -2.756 0.000 -6.466) 7.028 3.971 ( -3.605 0.000 7.530) 8.348 4.091 ( -3.155 0.000 6.047) 6.821 4.347 ( -4.964 0.000 -2.605) 5.606 4.366 ( -5.979 0.000 -9.381) 11.125 4.389 ( -6.882 0.000 -9.773) 11.953 4.542 ( 8.354 0.000 0.711) 8.384 4.907 ( 8.672 0.000 -1.037) 8.733 5.226 ( -10.397 0.000 19.635) 22.217 5.282 ( 0.578 0.000 -7.884) 7.905 5.433 ( 0.468 0.000 -0.853) 0.973 5.619 ( 6.837 0.000 -8.244) 10.710 5.882 ( 6.930 0.000 -2.261) 7.289 6.331 ( -1.693 0.000 -0.197) 1.704 6.668 ( 7.746 0.000 0.625) 7.771 7.217 ( -7.263 0.000 11.160) 13.315 7.301 ( 0.393 0.000 3.258) 3.282 7.826 ( -5.649 0.000 -3.220) 6.502 8.001 ( -5.755 0.000 -0.906) 5.826 8.112 ( 1.190 0.000 -1.081) 1.607 8.170 ( -2.750 0.000 0.069) 2.751 8.399 ( -1.583 0.000 -3.768) 4.087 8.489 ( 5.563 0.000 -10.955) 12.286 8.879 ( -10.611 0.000 9.005) 13.917 9.127 ( 1.871 0.000 5.480) 5.791 9.521 ( -2.282 0.000 -2.790) 3.604 9.703 ( -16.818 0.000 36.860) 40.515 9.709 ( 3.176 0.000 -0.002) 3.176 9.839 ( -6.730 0.000 12.566) 14.255 9.928 ( 0.875 0.000 -2.406) 2.560 10.414 ( -6.061 0.000 -7.491) 9.636 11.072 ( -8.121 0.000 -12.805) 15.163 11.251 ( -5.719 0.000 -5.422) 7.880 11.265 ( 1.963 0.000 5.964) 6.279 11.483 ( -5.856 0.000 6.444) 8.707 11.714 ( 2.083 0.000 2.596) 3.328 12.319 ( 11.255 0.000 1.389) 11.340 12.699 ( 13.599 0.000 -5.665) 14.732 12.916 ( -4.455 0.000 -3.191) 5.480 13.159 ( 10.208 0.000 5.961) 11.821 13.173 ( 5.269 0.000 0.592) 5.302 13.691 ( -11.149 0.000 -6.060) 12.690 13.870 ( 8.529 0.000 -2.761) 8.965 15.238 ( 17.323 0.000 7.678) 18.948 15.246 ( -0.610 0.000 -1.391) 1.519 15.897 ( 2.279 0.000 10.206) 10.458 16.100 ( -10.227 0.000 -10.314) 14.525 16.179 ( 11.327 0.000 -18.469) 21.666 16.898 ( 0.639 0.000 -1.533) 1.660 17.121 ( -4.986 0.000 2.158) 5.433 17.911 ( 1.638 0.000 4.652) 4.932 18.438 ( -1.829 0.000 7.742) 7.955 18.482 ( -3.316 0.000 -8.925) 9.521 18.687 ( -8.970 0.000 5.457) 10.499 18.948 ( -28.647 0.000 22.014) 36.128 19.331 ( 8.225 0.000 11.866) 14.438 21.769 ( 6.684 0.000 -28.052) 28.838 22.646 ( -20.200 0.000 30.445) 36.537 24.108 ( 7.816 0.000 -4.081) 8.818 24.806 ( 1.409 0.000 -8.497) 8.613 25.380 ( 2.072 0.000 -11.711) 11.893 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -1.137 0.000 21.291) 21.321 1.315 ( 5.366 0.000 25.340) 25.902 1.670 ( 3.945 0.000 15.992) 16.472 1.806 ( 6.751 0.000 2.555) 7.218 2.305 ( 21.406 0.000 31.418) 38.017 2.429 ( 9.029 0.000 2.357) 9.332 2.753 ( 6.539 0.000 -0.852) 6.594 2.829 ( -0.390 0.000 -0.415) 0.570 3.163 ( -3.509 0.000 12.394) 12.881 3.329 ( -10.036 0.000 0.888) 10.075 3.526 ( -7.090 0.000 -6.798) 9.823 3.594 ( 4.749 0.000 -2.070) 5.180 3.833 ( -12.564 0.000 3.837) 13.137 4.039 ( -4.347 0.000 2.972) 5.266 4.252 ( -1.021 0.000 -4.356) 4.474 4.255 ( -1.281 0.000 -4.088) 4.284 4.327 ( 1.629 0.000 -7.919) 8.085 4.635 ( 1.620 0.000 4.442) 4.728 5.052 ( 6.426 0.000 -2.845) 7.027 5.124 ( -6.122 0.000 17.080) 18.144 5.279 ( 1.740 0.000 -6.874) 7.091 5.455 ( 1.562 0.000 -1.514) 2.175 5.679 ( 2.753 0.000 -8.557) 8.989 5.993 ( 4.852 0.000 -2.535) 5.474 6.321 ( -0.272 0.000 6.215) 6.221 6.851 ( 10.527 0.000 -0.068) 10.528 7.024 ( -15.935 0.000 16.723) 23.099 7.294 ( -2.955 0.000 4.510) 5.391 7.706 ( -4.693 0.000 -6.208) 7.783 7.883 ( -4.958 0.000 -2.387) 5.502 8.115 ( -0.819 0.000 0.070) 0.822 8.148 ( -0.371 0.000 5.507) 5.519 8.354 ( -1.236 0.000 -4.100) 4.282 8.569 ( 6.737 0.000 -8.382) 10.754 8.694 ( -9.618 0.000 5.172) 10.920 9.202 ( 3.588 0.000 4.675) 5.893 9.457 ( -2.096 0.000 -5.926) 6.286 9.554 ( -5.230 0.000 22.115) 22.725 9.757 ( 1.720 0.000 -1.341) 2.181 9.997 ( 5.551 0.000 2.520) 6.096 10.056 ( 8.816 0.000 2.237) 9.095 10.257 ( -3.511 0.000 -8.358) 9.065 10.719 ( -19.200 0.000 -7.611) 20.654 11.202 ( -8.938 0.000 14.187) 16.768 11.260 ( 5.196 0.000 -14.068) 14.997 11.517 ( 5.069 0.000 3.022) 5.901 11.754 ( 0.578 0.000 5.816) 5.845 12.523 ( 9.196 0.000 0.152) 9.197 12.794 ( -6.191 0.000 -5.299) 8.149 12.833 ( 4.014 0.000 -6.271) 7.446 13.252 ( -5.286 0.000 7.744) 9.376 13.316 ( 8.486 0.000 1.365) 8.595 13.680 ( 12.168 0.000 -0.900) 12.201 14.070 ( 13.174 0.000 -2.972) 13.505 15.138 ( -10.541 0.000 4.618) 11.508 15.567 ( 10.337 0.000 6.694) 12.315 15.858 ( -7.259 0.000 5.115) 8.880 15.917 ( 0.113 0.000 -11.747) 11.748 16.330 ( 10.578 0.000 -10.201) 14.695 16.814 ( -9.173 0.000 -3.921) 9.976 17.036 ( -3.729 0.000 -4.448) 5.805 17.969 ( 3.707 0.000 4.440) 5.784 18.252 ( -16.901 0.000 26.107) 31.100 18.429 ( -1.342 0.000 -3.122) 3.399 18.524 ( -8.383 0.000 1.881) 8.592 18.830 ( 2.546 0.000 3.504) 4.331 19.490 ( 4.234 0.000 10.735) 11.540 21.772 ( 3.018 0.000 -23.246) 23.441 22.438 ( -11.921 0.000 25.001) 27.698 24.185 ( 2.570 0.000 -1.978) 3.243 24.791 ( 0.182 0.000 -9.292) 9.294 25.388 ( 2.662 0.000 -11.650) 11.950 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -1.095 0.000 18.397) 18.429 1.378 ( -4.485 0.000 18.637) 19.169 1.849 ( 6.095 0.000 25.414) 26.134 1.910 ( 2.514 0.000 7.697) 8.097 2.539 ( -1.117 0.000 4.111) 4.260 2.642 ( 11.408 0.000 -1.730) 11.539 2.783 ( -3.745 0.000 -3.241) 4.953 3.039 ( 14.414 0.000 7.367) 16.187 3.111 ( -11.313 0.000 2.394) 11.563 3.117 ( -8.744 0.000 13.038) 15.699 3.328 ( -5.615 0.000 -2.359) 6.091 3.592 ( -9.858 0.000 -3.074) 10.326 3.666 ( 2.158 0.000 3.216) 3.873 3.998 ( -0.527 0.000 2.377) 2.434 4.233 ( -0.965 0.000 -2.358) 2.548 4.300 ( 6.488 0.000 -3.103) 7.192 4.356 ( 2.411 0.000 -3.096) 3.924 4.680 ( 0.805 0.000 9.742) 9.775 5.118 ( 0.165 0.000 15.750) 15.751 5.133 ( 4.151 0.000 -5.841) 7.166 5.280 ( -0.508 0.000 -3.905) 3.938 5.465 ( -0.025 0.000 -2.619) 2.619 5.680 ( 0.710 0.000 -8.832) 8.860 6.036 ( 0.926 0.000 -6.392) 6.459 6.350 ( 0.091 0.000 9.997) 9.997 6.754 ( -16.370 0.000 7.936) 18.192 7.017 ( 5.831 0.000 -0.190) 5.834 7.227 ( -4.743 0.000 5.229) 7.060 7.635 ( -0.836 0.000 -3.284) 3.389 7.825 ( -0.254 0.000 -3.868) 3.876 8.090 ( -1.398 0.000 0.600) 1.521 8.173 ( 0.718 0.000 2.859) 2.948 8.332 ( 0.047 0.000 -3.912) 3.913 8.545 ( -6.147 0.000 -1.033) 6.233 8.683 ( 5.768 0.000 1.915) 6.078 9.274 ( 1.792 0.000 4.670) 5.002 9.429 ( 1.472 0.000 -6.241) 6.413 9.536 ( -3.491 0.000 3.886) 5.224 9.756 ( -1.002 0.000 -3.803) 3.933 9.971 ( -7.527 0.000 -3.699) 8.387 10.103 ( 2.806 0.000 3.847) 4.761 10.407 ( -8.530 0.000 -8.723) 12.200 10.418 ( 13.055 0.000 3.464) 13.507 11.084 ( -8.108 0.000 13.399) 15.661 11.331 ( 6.701 0.000 -11.376) 13.203 11.629 ( 4.537 0.000 7.133) 8.454 11.778 ( -0.261 0.000 8.711) 8.715 12.623 ( -4.034 0.000 0.879) 4.128 12.694 ( 4.288 0.000 -11.290) 12.077 12.870 ( 2.468 0.000 -3.350) 4.161 13.170 ( -4.602 0.000 9.102) 10.200 13.472 ( 6.852 0.000 4.495) 8.195 13.908 ( 7.769 0.000 2.717) 8.231 14.328 ( 14.915 0.000 -4.705) 15.639 14.883 ( -18.233 0.000 7.483) 19.709 15.559 ( -4.281 0.000 -3.173) 5.328 15.743 ( -4.100 0.000 -1.470) 4.356 16.160 ( 20.642 0.000 -4.035) 21.032 16.528 ( 11.359 0.000 6.077) 12.883 16.537 ( -17.375 0.000 -5.169) 18.128 16.945 ( -3.429 0.000 -11.537) 12.036 18.087 ( 6.313 0.000 4.404) 7.698 18.088 ( -9.345 0.000 26.023) 27.650 18.304 ( -9.343 0.000 4.151) 10.224 18.488 ( 2.631 0.000 -2.534) 3.653 18.872 ( 0.226 0.000 -1.247) 1.268 19.550 ( -1.268 0.000 8.417) 8.512 21.738 ( 1.112 0.000 -21.965) 21.993 22.333 ( -7.132 0.000 19.551) 20.811 24.213 ( 1.016 0.000 -0.830) 1.312 24.760 ( 0.215 0.000 -10.952) 10.954 25.402 ( 2.620 0.000 -11.123) 11.428 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -5.560 0.000 19.555) 20.330 1.307 ( -9.657 0.000 20.597) 22.748 1.955 ( -0.653 0.000 9.347) 9.370 1.999 ( -0.709 0.000 30.709) 30.717 2.369 ( -19.724 0.000 -1.093) 19.755 2.606 ( -12.963 0.000 -1.963) 13.111 2.756 ( 1.221 0.000 -8.795) 8.880 2.822 ( -15.492 0.000 8.571) 17.705 3.087 ( 8.423 0.000 3.908) 9.285 3.126 ( 1.741 0.000 -9.973) 10.123 3.431 ( -4.831 0.000 2.337) 5.367 3.542 ( 11.246 0.000 7.895) 13.741 3.722 ( 2.661 0.000 3.382) 4.303 4.041 ( 4.704 0.000 2.195) 5.191 4.201 ( -1.903 0.000 -0.856) 2.087 4.375 ( -0.137 0.000 1.026) 1.035 4.436 ( 7.441 0.000 -0.084) 7.441 4.705 ( -2.056 0.000 10.763) 10.958 5.181 ( 2.950 0.000 -6.972) 7.571 5.226 ( -4.035 0.000 -1.999) 4.503 5.237 ( 6.296 0.000 17.931) 19.004 5.434 ( -1.940 0.000 -4.041) 4.482 5.665 ( 1.165 0.000 -10.221) 10.287 5.980 ( -3.834 0.000 -9.108) 9.882 6.352 ( -6.051 0.000 11.209) 12.738 6.502 ( -8.733 0.000 -0.657) 8.757 7.009 ( -6.765 0.000 0.050) 6.765 7.221 ( 2.638 0.000 4.332) 5.072 7.651 ( 2.933 0.000 -0.466) 2.970 7.822 ( 0.818 0.000 -4.033) 4.115 8.088 ( 1.334 0.000 0.111) 1.338 8.154 ( -4.169 0.000 0.024) 4.169 8.328 ( 1.093 0.000 -3.865) 4.017 8.488 ( 1.278 0.000 -0.397) 1.338 8.796 ( 4.260 0.000 7.644) 8.751 9.271 ( -4.655 0.000 3.857) 6.045 9.428 ( -5.074 0.000 -4.295) 6.648 9.468 ( 4.256 0.000 -5.126) 6.662 9.698 ( -3.532 0.000 -4.229) 5.510 9.891 ( 0.350 0.000 -6.596) 6.605 10.079 ( -3.618 0.000 -0.507) 3.653 10.409 ( 8.990 0.000 -6.871) 11.315 10.658 ( 8.269 0.000 12.816) 15.252 10.990 ( -4.989 0.000 9.724) 10.929 11.434 ( 7.226 0.000 -7.140) 10.159 11.722 ( 1.945 0.000 10.696) 10.871 11.809 ( 0.091 0.000 11.556) 11.557 12.487 ( -6.610 0.000 -8.652) 10.888 12.783 ( 5.152 0.000 -6.765) 8.504 12.922 ( 4.067 0.000 -1.478) 4.327 13.136 ( -2.122 0.000 9.016) 9.263 13.606 ( 5.356 0.000 9.308) 10.739 13.950 ( -3.551 0.000 4.297) 5.575 14.512 ( -14.834 0.000 4.193) 15.415 14.606 ( 8.639 0.000 -4.896) 9.930 15.489 ( -3.621 0.000 -5.513) 6.596 15.707 ( 0.306 0.000 -0.552) 0.631 16.205 ( -12.245 0.000 -3.924) 12.858 16.514 ( 16.224 0.000 -4.083) 16.730 16.777 ( 7.137 0.000 -12.457) 14.356 16.842 ( 1.066 0.000 8.680) 8.745 18.063 ( -8.913 0.000 2.306) 9.207 18.064 ( -1.995 0.000 27.953) 28.025 18.322 ( 8.454 0.000 5.115) 9.880 18.551 ( 4.206 0.000 0.867) 4.295 18.814 ( -5.510 0.000 -3.903) 6.752 19.498 ( -6.505 0.000 5.931) 8.802 21.671 ( -0.658 0.000 -22.639) 22.649 22.284 ( -4.498 0.000 16.616) 17.214 24.220 ( -0.027 0.000 -0.726) 0.726 24.736 ( 1.341 0.000 -12.159) 12.233 25.412 ( 2.085 0.000 -10.614) 10.817 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -9.714 0.000 23.482) 25.412 1.127 ( -17.372 0.000 19.911) 26.424 1.814 ( -36.696 0.000 15.825) 39.963 1.937 ( -4.912 0.000 7.530) 8.991 2.016 ( -7.384 0.000 32.583) 33.409 2.344 ( -11.427 0.000 -2.152) 11.628 2.706 ( -0.446 0.000 1.170) 1.253 2.758 ( 1.917 0.000 -5.610) 5.928 3.149 ( 4.804 0.000 -11.702) 12.650 3.287 ( 9.557 0.000 0.970) 9.606 3.365 ( -2.929 0.000 8.052) 8.568 3.691 ( 2.639 0.000 3.776) 4.607 3.790 ( 2.941 0.000 4.476) 5.355 4.119 ( -2.852 0.000 -8.615) 9.074 4.196 ( 5.216 0.000 6.303) 8.181 4.368 ( -0.398 0.000 1.772) 1.816 4.557 ( 4.596 0.000 1.868) 4.961 4.676 ( -4.060 0.000 9.449) 10.284 5.122 ( -6.537 0.000 0.287) 6.543 5.199 ( 1.905 0.000 -8.008) 8.231 5.379 ( -1.873 0.000 -5.227) 5.553 5.438 ( 7.732 0.000 15.799) 17.590 5.649 ( 0.123 0.000 -10.388) 10.389 5.867 ( -3.926 0.000 -9.665) 10.432 6.199 ( -8.202 0.000 8.148) 11.561 6.446 ( -1.277 0.000 5.055) 5.214 6.827 ( -11.083 0.000 -0.200) 11.085 7.280 ( 1.147 0.000 3.256) 3.452 7.732 ( 5.275 0.000 1.996) 5.641 7.844 ( 3.642 0.000 -4.139) 5.513 8.032 ( -7.416 0.000 -0.615) 7.441 8.127 ( 2.304 0.000 -0.779) 2.432 8.356 ( 2.936 0.000 -2.989) 4.190 8.569 ( 5.738 0.000 -0.930) 5.813 8.849 ( -2.702 0.000 7.336) 7.818 9.178 ( -3.932 0.000 4.640) 6.083 9.392 ( 2.576 0.000 2.707) 3.737 9.542 ( 4.615 0.000 -3.740) 5.940 9.613 ( -3.539 0.000 -2.847) 4.542 9.913 ( 4.475 0.000 -9.274) 10.297 10.028 ( -1.518 0.000 -1.182) 1.924 10.608 ( 13.945 0.000 -10.685) 17.568 10.738 ( -4.467 0.000 17.167) 17.739 11.028 ( 5.987 0.000 7.470) 9.574 11.553 ( 6.876 0.000 -2.739) 7.402 11.755 ( -2.805 0.000 12.607) 12.915 11.836 ( -2.700 0.000 13.938) 14.197 12.318 ( -8.000 0.000 -11.782) 14.241 12.796 ( -1.069 0.000 -7.498) 7.574 13.007 ( 4.883 0.000 -1.284) 5.049 13.170 ( 2.652 0.000 5.753) 6.334 13.757 ( 7.076 0.000 12.570) 14.424 13.885 ( -2.538 0.000 7.034) 7.478 14.205 ( -14.321 0.000 10.486) 17.750 14.785 ( 8.231 0.000 -14.972) 17.085 15.290 ( -14.760 0.000 -6.706) 16.212 15.735 ( 1.963 0.000 2.859) 3.467 16.146 ( 5.486 0.000 -0.441) 5.503 16.571 ( -11.993 0.000 -35.387) 37.364 16.724 ( 7.573 0.000 -5.628) 9.435 17.104 ( 9.383 0.000 20.227) 22.297 17.917 ( -6.058 0.000 0.610) 6.088 18.242 ( 11.364 0.000 36.573) 38.298 18.502 ( 8.059 0.000 4.419) 9.191 18.650 ( 5.348 0.000 3.902) 6.621 18.664 ( -7.267 0.000 -0.652) 7.296 19.352 ( -10.366 0.000 4.296) 11.221 21.563 ( -3.061 0.000 -24.371) 24.562 22.268 ( -2.821 0.000 17.191) 17.421 24.204 ( -1.481 0.000 -1.925) 2.429 24.736 ( 2.793 0.000 -12.125) 12.443 25.411 ( 1.415 0.000 -10.410) 10.506 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -6.961 0.000 30.044) 30.840 0.719 ( -29.539 0.000 7.069) 30.373 1.295 ( -25.091 0.000 51.098) 56.926 1.797 ( -10.259 0.000 2.377) 10.531 1.970 ( -8.205 0.000 31.284) 32.342 2.223 ( -1.406 0.000 -0.236) 1.426 2.770 ( 6.235 0.000 -1.207) 6.351 2.783 ( 1.432 0.000 -1.222) 1.883 3.235 ( 8.394 0.000 -13.090) 15.550 3.419 ( 5.156 0.000 23.647) 24.203 3.421 ( 4.707 0.000 -1.837) 5.053 3.705 ( -1.365 0.000 3.715) 3.958 3.837 ( -2.616 0.000 -1.559) 3.045 3.938 ( -8.765 0.000 -6.600) 10.972 4.277 ( -0.497 0.000 6.346) 6.365 4.395 ( 2.888 0.000 0.785) 2.993 4.601 ( -0.422 0.000 -1.112) 1.189 4.629 ( -2.810 0.000 2.257) 3.604 4.973 ( -9.312 0.000 0.191) 9.314 5.237 ( 4.928 0.000 -6.117) 7.855 5.352 ( 1.647 0.000 -4.525) 4.816 5.520 ( -4.120 0.000 0.553) 4.157 5.585 ( -3.850 0.000 -7.998) 8.876 5.794 ( -0.300 0.000 -10.063) 10.068 6.280 ( 12.064 0.000 18.638) 22.202 6.485 ( 7.351 0.000 18.863) 20.245 6.642 ( -7.331 0.000 0.435) 7.344 7.283 ( -0.963 0.000 2.064) 2.278 7.864 ( 6.898 0.000 4.727) 8.362 7.919 ( -2.727 0.000 3.549) 4.475 7.933 ( 6.328 0.000 -3.584) 7.273 8.153 ( 0.285 0.000 -0.735) 0.788 8.402 ( 2.379 0.000 -2.559) 3.494 8.573 ( -6.175 0.000 -5.488) 8.262 8.853 ( 4.182 0.000 4.948) 6.478 9.103 ( -6.661 0.000 10.115) 12.111 9.563 ( -0.907 0.000 -0.092) 0.912 9.575 ( 9.755 0.000 8.420) 12.886 9.605 ( 2.883 0.000 -3.560) 4.581 10.003 ( -0.849 0.000 -2.228) 2.384 10.057 ( 18.229 0.000 -4.356) 18.742 10.713 ( -0.931 0.000 11.572) 11.610 10.841 ( 14.622 0.000 -14.929) 20.897 11.194 ( 8.017 0.000 12.633) 14.962 11.655 ( 3.344 0.000 0.666) 3.410 11.686 ( -9.022 0.000 12.082) 15.079 11.755 ( -10.732 0.000 11.620) 15.818 12.143 ( -4.788 0.000 -9.036) 10.226 12.773 ( 2.935 0.000 -7.247) 7.819 13.078 ( 2.923 0.000 -2.108) 3.604 13.191 ( -3.222 0.000 4.253) 5.336 13.826 ( -3.336 0.000 -3.797) 5.054 13.945 ( 4.970 0.000 3.652) 6.167 14.260 ( 12.481 0.000 18.763) 22.535 14.610 ( -26.377 0.000 -34.615) 43.519 14.996 ( -11.751 0.000 -2.198) 11.955 15.785 ( 0.769 0.000 4.546) 4.611 16.102 ( -21.507 0.000 -26.330) 33.998 16.281 ( 6.092 0.000 -2.290) 6.509 16.789 ( 2.462 0.000 -4.152) 4.827 17.239 ( -0.352 0.000 11.281) 11.286 17.852 ( -1.104 0.000 0.571) 1.243 18.384 ( -4.683 0.000 -3.018) 5.571 18.620 ( 2.682 0.000 -0.456) 2.721 18.776 ( 5.633 0.000 6.794) 8.826 19.086 ( 49.457 0.000 50.234) 70.494 19.165 ( -9.440 0.000 5.295) 10.824 21.402 ( -3.681 0.000 -21.268) 21.585 22.325 ( 4.108 0.000 28.921) 29.211 24.128 ( -6.689 0.000 -4.871) 8.275 24.760 ( 3.569 0.000 -10.899) 11.468 25.400 ( 1.041 0.000 -10.612) 10.663 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 9.241 12.590 18.795) 24.437 0.955 ( -0.952 22.931 19.979) 30.428 1.623 ( -9.473 28.635 35.018) 46.216 1.811 ( 3.802 17.543 6.385) 19.052 1.844 ( -9.053 -0.789 23.055) 24.781 2.256 ( 1.012 1.474 2.312) 2.923 2.697 ( 0.532 -5.096 -1.473) 5.331 2.822 ( -0.684 1.570 0.691) 1.846 3.274 ( -2.955 -4.660 2.457) 6.040 3.335 ( 3.554 -1.319 -2.582) 4.587 3.548 ( 1.229 4.310 0.936) 4.578 3.619 ( -5.217 -5.863 -2.590) 8.264 3.859 ( 2.264 -6.632 5.481) 8.897 3.876 ( 8.625 -6.646 11.272) 15.672 4.131 ( 2.185 -8.682 6.167) 10.871 4.345 ( -1.827 -15.276 0.764) 15.404 4.506 ( -4.885 1.092 -3.825) 6.299 4.658 ( -6.460 2.559 -4.916) 8.512 4.798 ( 5.016 -0.718 -0.536) 5.095 5.234 ( -1.373 -2.420 1.968) 3.408 5.395 ( -5.041 3.479 2.778) 6.726 5.471 ( 6.700 0.361 2.661) 7.218 5.585 ( -0.453 7.560 -6.899) 10.245 5.832 ( 2.881 3.500 -7.472) 8.739 6.345 ( -1.397 0.405 -0.581) 1.566 6.586 ( 0.271 0.184 -0.050) 0.332 6.762 ( 11.370 -9.883 22.969) 27.468 7.256 ( 1.829 -5.835 7.687) 9.822 7.858 ( -0.228 -3.915 3.463) 5.232 7.987 ( -0.449 6.253 0.125) 6.271 8.217 ( 5.593 11.757 -3.311) 13.434 8.333 ( 1.103 5.364 -3.262) 6.375 8.450 ( -1.416 3.281 0.576) 3.619 8.509 ( 2.825 4.666 -2.953) 6.203 8.838 ( -6.626 -6.887 3.820) 10.292 9.121 ( 0.732 3.371 10.838) 11.374 9.324 ( -1.488 -3.754 9.803) 10.602 9.653 ( 0.825 1.296 -1.637) 2.245 9.712 ( -0.520 2.451 3.133) 4.012 9.928 ( -2.885 -3.827 -1.523) 5.029 10.428 ( 0.307 -1.268 -4.080) 4.283 10.663 ( 3.417 -10.622 -0.745) 11.183 11.099 ( 5.582 3.903 -9.353) 11.570 11.337 ( -9.615 5.470 2.855) 11.425 11.477 ( -5.309 0.581 3.707) 6.501 11.658 ( -9.444 5.758 7.851) 13.564 11.692 ( -0.541 2.270 0.891) 2.498 12.130 ( 2.998 -0.515 -0.968) 3.192 12.304 ( -5.315 -5.785 13.360) 15.499 12.917 ( -7.206 -1.438 -6.843) 10.040 13.105 ( 1.008 -1.900 -0.536) 2.216 13.358 ( -11.496 -7.517 -5.329) 14.732 14.031 ( -0.632 14.440 -1.789) 14.564 14.314 ( -20.964 23.206 -16.473) 35.346 14.889 ( 7.641 -4.521 5.761) 10.584 15.117 ( 23.007 7.483 -6.794) 25.129 15.716 ( 0.756 -4.494 2.096) 5.016 15.980 ( -1.460 -2.186 2.766) 3.815 16.294 ( -0.295 -0.709 -3.841) 3.917 16.729 ( 4.899 -8.429 -2.518) 10.069 17.208 ( -4.950 -1.474 5.849) 7.803 17.569 ( -0.368 -17.902 22.142) 28.476 18.318 ( 2.881 -3.597 -1.062) 4.730 18.592 ( -3.136 0.263 -7.511) 8.144 18.797 ( -4.624 -0.992 5.952) 7.602 19.115 ( 5.489 -2.811 11.435) 12.992 19.685 ( -15.930 3.136 -8.221) 18.198 21.233 ( 22.437 -23.295 -11.534) 34.338 22.643 ( 2.503 2.332 29.011) 29.212 23.909 ( -1.769 -3.204 3.636) 5.159 24.928 ( 4.228 5.079 -14.996) 16.387 25.367 ( 1.054 -1.848 -11.447) 11.642 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 1.772 22.575 14.613) 26.950 1.099 ( 24.364 6.951 17.509) 30.798 1.584 ( -2.654 11.265 19.897) 23.018 1.792 ( -1.344 2.651 16.076) 16.348 2.025 ( 10.786 22.762 19.947) 32.130 2.313 ( 4.256 0.148 5.636) 7.064 2.690 ( 0.810 -0.924 -2.817) 3.074 2.820 ( -0.030 0.295 1.770) 1.794 3.221 ( -3.858 0.986 10.578) 11.303 3.413 ( 3.043 -3.260 -3.745) 5.824 3.506 ( -4.531 -5.666 -4.550) 8.564 3.574 ( 0.568 1.536 -1.302) 2.092 3.872 ( -3.199 -9.114 6.689) 11.749 3.977 ( 0.770 -8.929 4.609) 10.078 4.172 ( -4.380 -7.713 -3.620) 9.580 4.293 ( -4.252 -8.986 2.250) 10.193 4.466 ( 6.203 0.424 -2.639) 6.754 4.515 ( -4.575 1.958 -4.566) 6.754 4.969 ( 9.556 2.106 -1.695) 9.931 5.168 ( -6.360 -2.730 9.525) 11.773 5.329 ( -1.688 4.160 -1.620) 4.773 5.548 ( 1.470 9.056 -2.271) 9.451 5.651 ( 7.001 2.243 -6.733) 9.969 5.891 ( 5.278 0.483 -3.488) 6.345 6.325 ( -0.205 0.999 1.784) 2.054 6.659 ( 7.052 -0.608 0.055) 7.078 6.985 ( 3.718 -11.938 19.117) 22.843 7.297 ( -1.100 -5.035 7.018) 8.707 7.813 ( -5.987 -5.161 0.749) 7.940 7.929 ( -3.517 5.518 -1.582) 6.732 8.282 ( 1.832 12.377 -1.921) 12.658 8.304 ( -2.406 6.047 -5.759) 8.690 8.356 ( -6.361 4.270 4.523) 8.897 8.621 ( 5.639 6.617 -8.608) 12.235 8.755 ( -3.146 -12.003 12.657) 17.725 9.165 ( 1.335 2.786 5.965) 6.718 9.322 ( -2.417 0.040 5.599) 6.099 9.631 ( -3.338 -2.144 0.360) 3.984 9.729 ( 1.635 0.116 10.932) 11.054 9.881 ( 0.722 -0.913 -1.778) 2.125 10.281 ( -9.981 6.073 -4.293) 12.447 10.579 ( -9.291 16.615 3.675) 19.388 10.979 ( -6.602 -3.644 -13.292) 15.282 11.210 ( -7.950 -1.182 2.859) 8.530 11.349 ( -1.933 6.455 1.076) 6.823 11.547 ( -4.528 4.593 3.381) 7.282 11.735 ( 1.777 1.552 3.970) 4.618 12.208 ( 8.282 -6.257 3.238) 10.873 12.534 ( 12.612 -3.024 -0.792) 12.994 12.938 ( 12.300 -7.379 -2.648) 14.587 13.052 ( -6.710 -2.829 -0.721) 7.318 13.242 ( -0.125 -0.632 -1.872) 1.980 13.875 ( -13.398 12.706 -6.045) 19.429 14.081 ( 1.967 16.296 -2.396) 16.589 15.210 ( 17.453 -1.423 6.180) 18.569 15.291 ( 0.654 3.760 -0.010) 3.817 15.786 ( 1.607 -15.679 -3.876) 16.231 15.911 ( -5.485 -3.460 3.937) 7.587 16.277 ( 2.566 0.321 -12.058) 12.332 16.813 ( 3.067 -5.791 -2.022) 6.859 17.130 ( -4.579 -0.579 2.444) 5.223 17.636 ( -0.585 -17.144 20.079) 26.409 18.355 ( -0.222 -6.067 -2.831) 6.699 18.544 ( 1.613 2.324 -3.356) 4.389 18.683 ( -8.891 0.017 5.220) 10.310 19.136 ( -22.692 9.169 3.960) 24.793 19.324 ( 4.725 1.716 10.887) 11.992 21.566 ( 14.213 -17.543 -20.672) 30.612 22.632 ( -10.998 2.860 26.557) 28.886 23.991 ( 6.414 -7.451 0.883) 9.871 24.900 ( -1.404 5.027 -11.150) 12.311 25.368 ( 2.838 -1.352 -12.173) 12.572 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 1.210 25.019 10.375) 27.112 1.457 ( 2.795 12.999 22.026) 25.728 1.665 ( 7.928 0.763 13.176) 15.396 1.919 ( 8.036 5.119 10.664) 14.300 2.264 ( 8.574 2.555 11.532) 14.595 2.472 ( 8.283 2.000 8.268) 11.873 2.717 ( 2.107 -2.611 -4.130) 5.322 2.865 ( 5.989 3.003 6.356) 9.235 3.180 ( -4.315 -0.115 9.162) 10.128 3.333 ( -8.491 1.246 0.316) 8.588 3.439 ( -3.956 -7.536 -6.045) 10.440 3.590 ( 2.112 -0.804 0.411) 2.297 3.778 ( -8.939 -4.811 6.715) 12.171 3.968 ( -3.799 -3.587 1.246) 5.371 4.072 ( -1.671 -7.959 -4.459) 9.274 4.220 ( -2.175 -6.845 0.859) 7.234 4.474 ( 2.436 7.059 -4.658) 8.801 4.628 ( 8.182 -0.444 1.694) 8.367 5.016 ( -3.936 -0.995 7.399) 8.440 5.184 ( 4.861 3.306 2.898) 6.554 5.297 ( -1.157 2.138 -3.851) 4.554 5.564 ( 0.950 9.673 -2.853) 10.129 5.720 ( 3.474 3.822 -9.474) 10.790 5.983 ( 4.582 -1.912 -2.686) 5.645 6.355 ( 1.731 3.574 6.667) 7.760 6.825 ( 9.356 -1.936 0.651) 9.576 6.985 ( -9.716 -3.517 17.647) 20.450 7.280 ( -2.727 -1.938 4.393) 5.522 7.682 ( -4.969 -3.662 -3.872) 7.286 7.855 ( -4.107 1.650 -0.789) 4.496 8.223 ( -3.284 -3.454 -5.094) 6.976 8.264 ( -2.354 6.697 2.942) 7.684 8.304 ( -1.166 14.862 0.790) 14.928 8.686 ( 2.806 7.350 3.087) 8.451 8.739 ( -1.317 -0.460 -1.870) 2.333 9.231 ( 3.679 2.884 4.192) 6.279 9.320 ( 1.714 -4.318 2.653) 5.349 9.516 ( -5.555 -1.699 0.125) 5.811 9.846 ( -1.525 -0.597 16.381) 16.463 9.926 ( 5.444 1.421 -7.326) 9.237 10.176 ( 2.727 -0.803 -9.206) 9.635 10.466 ( -4.129 23.471 2.055) 23.920 10.721 ( -13.722 -0.415 -7.870) 15.824 11.123 ( -3.027 -5.154 1.193) 6.095 11.327 ( -1.368 5.276 0.894) 5.524 11.546 ( 2.712 2.031 2.225) 4.054 11.760 ( -0.828 0.343 7.053) 7.110 12.379 ( 7.462 -10.561 2.231) 13.122 12.637 ( 2.292 -5.289 -8.402) 10.189 12.895 ( -7.115 -2.630 -1.982) 7.840 13.190 ( 1.479 -3.696 8.482) 9.369 13.358 ( 16.475 -1.177 0.313) 16.520 13.695 ( -1.662 5.800 -3.920) 7.195 14.197 ( 9.006 8.212 -0.994) 12.229 15.138 ( -12.946 -0.987 5.066) 13.937 15.535 ( 2.706 -3.874 4.059) 6.229 15.702 ( 0.344 -9.607 -8.969) 13.147 15.899 ( 5.108 -2.985 4.891) 7.676 16.349 ( 8.110 0.130 -8.222) 11.549 16.783 ( -6.110 -1.982 -3.056) 7.113 17.047 ( -4.048 0.449 -3.970) 5.688 17.675 ( -1.267 -16.265 19.331) 25.295 18.329 ( -2.347 -4.417 1.905) 5.352 18.487 ( -9.547 2.872 2.313) 10.234 18.551 ( -3.493 5.447 1.312) 6.602 18.895 ( -2.989 5.970 1.190) 6.782 19.466 ( 3.954 -1.731 10.660) 11.501 21.675 ( 5.853 -9.624 -21.169) 23.979 22.499 ( -10.163 6.208 21.840) 24.876 24.088 ( 3.681 -7.783 -0.172) 8.612 24.836 ( -1.561 3.208 -9.870) 10.495 25.387 ( 3.221 -0.395 -12.125) 12.552 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.687 26.775 10.136) 28.637 1.462 ( -5.662 7.894 18.181) 20.613 1.886 ( 6.386 4.049 24.301) 25.450 2.045 ( 1.008 8.831 7.053) 11.347 2.428 ( 3.063 -8.521 3.213) 9.608 2.596 ( 5.642 -2.544 -2.240) 6.582 2.700 ( -1.065 -4.967 -3.763) 6.321 3.039 ( -3.904 -1.261 1.989) 4.559 3.143 ( 2.199 2.699 17.467) 17.811 3.205 ( -2.604 2.705 -2.383) 4.447 3.321 ( -2.697 0.699 -1.786) 3.309 3.561 ( -10.262 -2.374 2.877) 10.919 3.658 ( 0.782 0.915 0.212) 1.222 3.912 ( -1.326 -3.574 3.939) 5.482 4.070 ( 1.652 -7.681 -2.270) 8.178 4.223 ( 0.744 -9.153 5.820) 10.872 4.535 ( 4.171 7.879 -4.026) 9.782 4.773 ( 5.827 5.717 3.274) 8.795 4.992 ( -1.148 -3.441 8.998) 9.701 5.225 ( -2.149 2.178 -1.990) 3.650 5.284 ( 1.785 1.998 -0.182) 2.685 5.563 ( 0.209 8.885 -4.002) 9.747 5.740 ( 2.247 5.684 -9.477) 11.277 6.022 ( 0.500 -2.485 -6.040) 6.551 6.419 ( 1.538 6.083 9.770) 11.611 6.778 ( -14.834 1.950 9.830) 17.902 6.983 ( 5.293 -2.824 0.093) 6.000 7.208 ( -4.632 -1.642 4.787) 6.861 7.649 ( 1.912 -0.718 -2.677) 3.367 7.781 ( -3.134 -1.209 -1.268) 3.590 8.159 ( -1.969 -6.812 -5.043) 8.701 8.264 ( 1.189 6.040 2.758) 6.746 8.281 ( -0.748 13.518 0.487) 13.548 8.650 ( -5.370 6.796 3.379) 9.297 8.796 ( 5.630 7.567 -1.209) 9.509 9.305 ( 2.002 2.100 3.797) 4.778 9.379 ( 3.308 -3.522 -2.807) 5.588 9.467 ( -0.131 -3.449 0.876) 3.561 9.707 ( -11.374 -0.790 -0.020) 11.401 9.995 ( 2.110 0.432 -5.831) 6.217 10.227 ( 0.105 -1.324 -7.597) 7.712 10.453 ( 1.858 19.011 2.399) 19.252 10.566 ( 2.357 7.427 -0.453) 7.806 11.062 ( -5.424 -2.474 10.153) 11.774 11.339 ( 3.912 1.383 -7.326) 8.420 11.623 ( 3.358 -0.893 7.485) 8.252 11.756 ( -2.129 -2.215 8.763) 9.286 12.466 ( -0.125 -11.473 1.598) 11.585 12.619 ( 1.199 -6.461 -10.049) 12.007 12.834 ( 1.532 -4.876 -1.113) 5.231 13.169 ( -4.544 1.814 8.549) 9.850 13.571 ( 5.395 6.330 2.747) 8.759 13.821 ( 10.439 -6.436 1.913) 12.412 14.377 ( 10.462 3.002 -3.654) 11.481 14.839 ( -19.472 -4.929 5.616) 20.857 15.433 ( -4.927 -10.369 -5.689) 12.813 15.720 ( 1.667 -1.085 2.279) 3.025 16.183 ( 17.489 -0.499 -2.620) 17.691 16.448 ( -3.737 -2.371 -2.526) 5.096 16.620 ( -1.620 4.019 3.440) 5.533 16.952 ( -3.771 0.523 -10.351) 11.028 17.734 ( 0.268 -15.933 20.750) 26.163 18.205 ( -10.059 1.027 7.159) 12.389 18.435 ( 2.753 -4.540 -2.622) 5.921 18.508 ( -0.788 11.232 2.923) 11.632 18.885 ( -0.422 1.610 -1.792) 2.446 19.522 ( -1.365 -2.182 8.399) 8.784 21.677 ( 1.950 -6.621 -21.496) 22.577 22.405 ( -6.578 6.945 18.146) 20.512 24.135 ( 1.434 -6.895 0.111) 7.044 24.782 ( -0.411 1.978 -11.041) 11.225 25.407 ( 2.851 0.093 -11.600) 11.945 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -3.312 27.298 9.250) 29.012 1.404 ( -6.857 9.561 20.793) 23.891 1.977 ( -9.559 -2.338 9.624) 13.764 2.037 ( -1.357 4.908 24.483) 25.007 2.374 ( -6.929 3.541 0.423) 7.793 2.537 ( -8.824 -4.516 -1.244) 9.990 2.768 ( 0.402 -0.247 -0.522) 0.703 2.899 ( -5.889 1.315 0.128) 6.036 3.074 ( -2.725 5.293 -0.815) 6.009 3.174 ( 0.923 0.931 -6.458) 6.590 3.410 ( -2.473 -0.874 6.158) 6.693 3.506 ( 8.125 -2.407 7.063) 11.032 3.692 ( 2.125 -2.566 0.791) 3.424 3.953 ( 4.037 -5.204 4.608) 8.038 4.098 ( 0.650 -5.669 0.480) 5.727 4.264 ( 0.982 -9.113 8.158) 12.271 4.580 ( 1.584 5.739 -1.930) 6.259 4.831 ( -1.775 10.386 4.138) 11.320 5.004 ( -2.024 -10.474 10.419) 14.911 5.181 ( 0.702 -0.964 -7.402) 7.497 5.315 ( 0.599 3.344 3.266) 4.713 5.560 ( 1.471 9.493 -4.659) 10.676 5.749 ( 1.587 6.825 -8.639) 11.123 5.959 ( -3.864 -2.691 -9.150) 10.291 6.434 ( -6.103 7.889 12.574) 16.050 6.546 ( -8.232 3.470 1.295) 9.027 6.978 ( -5.677 -3.002 0.333) 6.431 7.222 ( 3.690 0.125 4.757) 6.022 7.701 ( 3.646 2.935 -0.289) 4.689 7.731 ( -1.547 -5.065 -1.273) 5.447 8.119 ( -0.325 -6.829 -3.951) 7.896 8.270 ( 0.854 16.000 -1.422) 16.085 8.337 ( 3.706 4.169 2.039) 5.939 8.561 ( -3.430 6.923 -0.773) 7.765 8.891 ( 2.971 5.740 5.291) 8.353 9.300 ( -4.117 3.090 4.196) 6.641 9.412 ( 1.367 -3.521 -5.296) 6.505 9.471 ( -2.117 1.092 -2.499) 3.453 9.527 ( -3.223 -5.250 -0.061) 6.161 9.997 ( 0.398 0.398 -4.609) 4.643 10.197 ( 1.482 10.645 -11.237) 15.549 10.475 ( 4.458 6.451 -6.115) 9.944 10.744 ( 7.095 8.565 14.037) 17.910 10.992 ( -3.998 -0.265 8.383) 9.291 11.423 ( 6.980 -0.706 -5.762) 9.079 11.709 ( 2.101 -1.299 11.004) 11.278 11.751 ( -1.295 -5.792 10.589) 12.139 12.400 ( -4.758 -6.123 -3.333) 8.441 12.661 ( 4.602 -9.863 -7.320) 13.116 12.900 ( 4.791 -4.239 -2.503) 6.870 13.100 ( -4.665 -0.840 9.568) 10.677 13.653 ( 0.643 2.671 5.820) 6.436 13.940 ( 2.362 -0.557 7.170) 7.569 14.455 ( -15.439 -5.448 0.752) 16.389 14.611 ( 9.800 -0.251 -5.171) 11.083 15.385 ( 0.988 -8.173 -4.844) 9.552 15.778 ( 1.027 4.571 1.153) 4.825 16.114 ( -14.283 -6.737 -2.688) 16.019 16.502 ( 10.462 -1.109 -4.076) 11.283 16.784 ( 4.264 0.175 -12.834) 13.524 16.859 ( 3.007 1.507 11.294) 11.785 17.756 ( -7.198 -14.592 22.535) 27.795 18.122 ( 1.919 1.137 2.636) 3.453 18.505 ( 4.484 -3.989 1.126) 6.106 18.550 ( 3.540 9.587 3.917) 10.944 18.841 ( -2.672 3.978 -3.336) 5.839 19.469 ( -6.572 -2.281 6.030) 9.206 21.614 ( -1.157 -6.421 -22.932) 23.842 22.366 ( -3.487 8.013 16.272) 18.470 24.145 ( -0.495 -6.725 0.460) 6.758 24.755 ( 1.659 1.843 -12.375) 12.621 25.417 ( 2.058 0.055 -11.156) 11.344 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -8.072 24.202 10.418) 27.558 1.285 ( -15.313 13.898 11.776) 23.797 1.727 ( -16.394 0.656 17.176) 23.753 2.034 ( -8.848 3.071 31.684) 33.039 2.213 ( -12.257 17.546 5.436) 22.083 2.337 ( -8.916 -1.688 -0.387) 9.083 2.688 ( -3.827 1.142 -0.786) 4.070 2.832 ( -0.656 3.956 -2.291) 4.619 3.137 ( 5.205 -1.206 -6.493) 8.408 3.209 ( 5.783 -2.338 -4.672) 7.794 3.452 ( 3.557 4.280 7.416) 9.271 3.616 ( 2.000 -5.783 5.312) 8.103 3.741 ( 2.075 -4.454 3.680) 6.139 4.042 ( -1.450 -4.105 -6.351) 7.700 4.074 ( 0.346 -11.363 6.357) 13.025 4.300 ( 0.000 -7.436 6.888) 10.136 4.599 ( 0.949 1.581 1.279) 2.244 4.755 ( -5.484 8.416 1.460) 10.151 4.965 ( -5.320 -12.441 9.111) 16.313 5.201 ( 3.128 0.622 -8.444) 9.026 5.322 ( -0.653 0.918 3.394) 3.576 5.580 ( 0.578 7.276 -3.776) 8.218 5.725 ( -1.474 4.196 -7.553) 8.765 5.865 ( -1.977 0.911 -9.955) 10.190 6.311 ( -5.877 9.914 11.726) 16.442 6.493 ( -1.884 3.723 5.734) 7.091 6.821 ( -9.767 -1.011 -0.479) 9.830 7.279 ( -0.785 -0.493 4.074) 4.178 7.727 ( 2.694 -5.161 0.157) 5.824 7.798 ( 6.040 4.259 0.797) 7.434 8.120 ( 0.855 -0.069 -2.498) 2.641 8.292 ( 2.063 13.188 -3.542) 13.810 8.367 ( -0.179 7.329 0.259) 7.336 8.573 ( 4.165 0.129 -1.698) 4.500 8.902 ( -3.789 3.067 6.719) 8.301 9.227 ( -4.637 3.507 3.697) 6.890 9.374 ( -1.120 -2.043 -0.482) 2.379 9.462 ( 2.953 -2.448 0.998) 3.964 9.556 ( 3.129 -0.062 0.039) 3.130 9.980 ( -0.499 1.270 -2.706) 3.031 10.212 ( 3.992 12.815 -11.762) 17.846 10.614 ( 11.817 0.947 -10.800) 16.037 10.778 ( -5.896 4.058 14.557) 16.221 11.058 ( 7.225 2.139 6.230) 9.777 11.550 ( 7.204 0.092 -1.282) 7.318 11.742 ( -2.877 -2.829 13.079) 13.688 11.781 ( -0.354 -3.806 12.396) 12.972 12.272 ( -7.710 -2.006 -6.084) 10.024 12.659 ( -3.617 -10.017 -8.223) 13.455 12.975 ( 4.795 -3.464 -2.596) 6.460 13.119 ( 2.649 -3.938 8.903) 10.089 13.607 ( -4.955 -6.130 9.500) 12.344 14.101 ( 10.227 11.080 6.819) 16.549 14.146 ( -12.720 -5.850 5.753) 15.137 14.812 ( 10.797 1.741 -12.140) 16.340 15.314 ( -11.951 2.830 -4.957) 13.244 15.673 ( -2.946 -7.246 -2.363) 8.171 16.087 ( 6.818 -3.298 5.535) 9.381 16.518 ( -9.629 -5.246 -19.435) 22.315 16.691 ( 1.357 -1.573 -10.537) 10.740 17.107 ( 9.075 -0.956 17.942) 20.129 17.640 ( -10.229 -13.395 19.385) 25.688 18.267 ( 8.680 -2.034 5.049) 10.245 18.567 ( 0.194 -0.923 -1.075) 1.430 18.639 ( 5.250 -0.135 3.545) 6.337 18.872 ( 10.195 15.983 5.125) 19.638 19.325 ( -9.942 -1.555 4.816) 11.156 21.474 ( -5.979 -8.997 -25.074) 27.302 22.378 ( -0.743 10.362 16.959) 19.888 24.114 ( -3.239 -7.426 0.569) 8.122 24.772 ( 4.608 2.881 -12.966) 14.059 25.412 ( 1.216 -0.395 -11.029) 11.103 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -27.187 11.372 2.746) 29.597 0.966 ( -7.014 23.027 16.961) 29.447 1.617 ( -6.251 27.955 39.150) 48.511 1.922 ( -12.817 6.305 15.881) 21.360 1.968 ( -11.834 5.292 13.726) 18.880 2.254 ( -1.615 3.568 1.194) 4.095 2.665 ( 1.429 -4.356 -0.390) 4.601 2.831 ( 0.282 2.834 -1.095) 3.051 3.213 ( 6.627 -2.445 -11.419) 13.427 3.321 ( 3.162 -4.691 9.687) 11.218 3.524 ( 0.986 7.135 4.837) 8.676 3.656 ( 1.252 -5.005 4.823) 7.062 3.783 ( 0.098 -5.259 1.763) 5.548 3.871 ( -8.286 -3.577 -3.599) 9.716 4.117 ( -0.275 -13.217 4.876) 14.090 4.325 ( 1.434 -11.540 3.523) 12.150 4.590 ( -3.115 -0.187 0.599) 3.178 4.696 ( -0.053 7.280 -3.633) 8.137 4.867 ( -7.608 -9.160 6.566) 13.598 5.227 ( 1.917 -0.223 -4.877) 5.245 5.344 ( 3.084 0.390 1.125) 3.306 5.517 ( -5.898 2.698 1.686) 6.701 5.658 ( -3.017 4.436 -9.466) 10.881 5.823 ( 0.813 3.708 -8.753) 9.541 6.336 ( 1.738 6.042 11.042) 12.707 6.518 ( 3.513 3.101 15.920) 16.596 6.653 ( -6.600 0.188 -0.951) 6.671 7.241 ( -2.791 -4.033 5.094) 7.071 7.811 ( 4.066 -3.057 2.969) 5.890 7.922 ( 5.977 5.135 1.122) 7.960 8.133 ( 2.663 9.598 -2.592) 10.293 8.317 ( 1.653 9.309 -3.959) 10.250 8.391 ( 2.844 3.303 -0.211) 4.364 8.587 ( -3.519 0.782 -1.957) 4.102 8.879 ( 0.553 1.232 3.171) 3.447 9.134 ( -6.023 3.342 8.225) 10.728 9.348 ( -2.776 -8.521 4.337) 9.956 9.598 ( 5.873 1.621 0.397) 6.105 9.635 ( 6.439 3.162 5.090) 8.796 9.969 ( -0.798 -1.984 -0.719) 2.256 10.292 ( 9.890 8.223 -11.309) 17.127 10.658 ( -3.523 -3.527 3.040) 5.839 10.891 ( 15.116 4.332 -8.825) 18.032 11.228 ( 8.253 2.353 7.872) 11.646 11.640 ( -3.536 -2.009 5.226) 6.621 11.685 ( -2.966 1.338 7.084) 7.796 11.785 ( -4.736 1.885 13.801) 14.712 12.107 ( -4.524 -1.634 -6.546) 8.123 12.517 ( -9.190 -11.939 -1.592) 15.150 13.055 ( 3.480 -2.534 -2.451) 4.954 13.114 ( -6.932 -2.816 3.388) 8.213 13.594 ( -6.209 -16.066 6.898) 18.554 13.947 ( 1.577 5.549 -3.013) 6.508 14.496 ( 18.707 6.521 17.092) 26.165 14.830 ( -2.831 14.865 -27.697) 31.562 15.002 ( -14.248 0.859 -3.224) 14.633 15.708 ( 2.649 -7.408 1.668) 8.042 16.135 ( -15.334 1.754 -14.350) 21.074 16.256 ( 4.169 -2.310 -0.100) 4.767 16.691 ( 0.811 -7.191 -5.373) 9.013 17.244 ( 0.046 -1.759 10.440) 10.587 17.547 ( -5.614 -15.917 21.541) 27.366 18.319 ( -1.828 -5.063 -2.475) 5.924 18.613 ( 3.365 0.913 -1.394) 3.755 18.760 ( 5.312 -1.207 6.232) 8.278 19.112 ( -5.941 -4.218 6.109) 9.508 19.384 ( 31.533 14.810 11.669) 36.740 21.219 ( -11.128 -14.026 -21.942) 28.320 22.464 ( 3.814 11.784 22.392) 25.590 24.018 ( -7.253 -7.184 1.397) 10.304 24.846 ( 7.598 4.584 -13.820) 16.424 25.393 ( 0.544 -1.187 -11.238) 11.314 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 1.962 20.220 8.010) 21.837 1.408 ( 0.139 20.146 8.921) 22.034 1.872 ( -6.816 4.151 17.463) 19.200 1.919 ( -4.390 7.048 -0.145) 8.304 2.209 ( 1.820 4.463 13.295) 14.142 2.472 ( -0.686 14.363 0.815) 14.403 2.798 ( 3.083 21.895 10.121) 24.318 2.831 ( -2.932 -0.093 1.341) 3.225 3.137 ( 1.101 -7.337 -4.729) 8.798 3.312 ( 0.819 -1.161 8.090) 8.214 3.448 ( -3.443 -8.285 0.090) 8.972 3.634 ( 0.902 -13.461 1.271) 13.551 3.643 ( -1.809 -0.281 -0.552) 1.912 3.806 ( -1.117 -1.937 5.406) 5.851 3.963 ( 3.255 -13.654 6.626) 15.522 4.103 ( 3.973 3.419 4.130) 6.673 4.411 ( -3.012 -11.027 0.929) 11.469 4.651 ( -6.881 0.929 -0.390) 6.954 4.822 ( 5.271 0.776 -4.751) 7.139 5.228 ( -3.471 0.325 2.730) 4.427 5.456 ( 5.065 2.156 1.491) 5.703 5.544 ( -2.604 7.403 1.600) 8.009 5.746 ( 1.936 7.696 -5.938) 9.911 5.928 ( 1.603 5.417 -7.091) 9.066 6.402 ( -2.307 3.321 -1.164) 4.208 6.594 ( 0.885 0.645 -2.476) 2.707 6.700 ( 2.684 1.266 18.106) 18.348 7.106 ( -0.680 -7.908 12.345) 14.677 7.847 ( -0.516 1.413 1.160) 1.900 8.115 ( -0.352 5.774 0.299) 5.792 8.286 ( 5.783 -5.536 -1.267) 8.105 8.412 ( 0.515 -0.413 -3.236) 3.303 8.555 ( -5.451 1.787 8.767) 10.477 8.611 ( 2.161 14.299 -1.152) 14.507 8.852 ( -2.272 7.716 -8.354) 11.597 9.225 ( -1.642 6.713 5.208) 8.653 9.381 ( 2.613 5.513 7.897) 9.979 9.682 ( 2.792 -0.012 -0.768) 2.896 9.723 ( -2.959 -1.884 0.737) 3.584 9.825 ( -5.221 -3.767 7.235) 9.684 10.399 ( 9.336 -6.250 -1.641) 11.354 10.438 ( -8.849 -5.617 -0.248) 10.484 11.155 ( 4.956 2.117 -3.095) 6.215 11.412 ( 1.820 3.180 -0.021) 3.664 11.580 ( -3.468 7.089 0.302) 7.897 11.729 ( -0.233 2.621 3.072) 4.045 11.842 ( -9.322 10.183 5.915) 15.019 12.144 ( 5.009 2.400 -0.524) 5.579 12.325 ( 0.700 4.051 3.791) 5.592 12.886 ( -11.283 -1.578 -7.985) 13.912 13.035 ( 1.138 -5.142 -0.701) 5.313 13.170 ( -2.409 -8.434 0.396) 8.780 14.299 ( -0.144 12.006 -0.089) 12.008 14.584 ( -9.591 6.019 1.640) 11.442 14.799 ( 5.683 -3.442 4.140) 7.829 15.278 ( 15.591 7.049 -12.221) 21.027 15.587 ( -5.459 -7.246 4.022) 9.924 15.925 ( -5.658 -2.894 -0.595) 6.383 16.206 ( -2.276 -7.494 1.923) 8.065 16.562 ( 7.341 -8.512 -7.197) 13.347 17.105 ( -2.704 -8.173 6.987) 11.088 17.302 ( -2.819 -8.389 20.506) 22.334 18.253 ( 1.311 -2.010 -1.892) 3.056 18.588 ( -3.579 -1.033 -8.788) 9.545 18.791 ( -2.762 0.660 4.950) 5.707 19.038 ( 5.553 -4.345 12.562) 14.405 19.760 ( -7.600 4.505 -9.280) 12.813 20.852 ( 14.136 -15.249 -10.642) 23.358 22.808 ( -0.967 10.889 15.022) 18.578 23.813 ( -1.497 -6.153 3.809) 7.390 24.986 ( 3.980 1.668 -13.416) 14.093 25.312 ( 1.209 -3.446 -12.077) 12.617 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 17.677 9.016 8.488) 21.582 1.473 ( 4.204 19.368 8.812) 21.690 1.801 ( -5.895 7.370 15.384) 18.048 1.906 ( 1.461 9.266 6.039) 11.157 2.295 ( 3.270 -1.478 5.635) 6.680 2.485 ( 1.522 12.105 2.790) 12.515 2.747 ( -4.070 2.709 -0.576) 4.923 2.914 ( 3.954 16.051 8.784) 18.720 3.131 ( -1.251 -8.841 -3.471) 9.580 3.337 ( -2.955 -2.678 11.726) 12.386 3.383 ( -1.407 -4.925 -2.955) 5.913 3.594 ( -2.996 -7.335 1.981) 8.167 3.668 ( 0.912 -3.969 6.867) 7.984 3.810 ( 0.496 -9.588 -1.094) 9.663 4.030 ( 3.546 -4.696 2.430) 6.367 4.181 ( -2.020 0.953 3.797) 4.405 4.395 ( 1.108 -7.619 -1.032) 7.767 4.565 ( 1.567 3.552 0.004) 3.882 4.969 ( 9.412 -1.353 -0.379) 9.516 5.159 ( -3.224 1.133 1.758) 3.843 5.447 ( -3.273 6.116 0.606) 6.963 5.629 ( 7.664 -0.455 -0.731) 7.712 5.774 ( 2.467 9.348 -4.977) 10.874 5.943 ( 2.292 5.044 -7.715) 9.498 6.392 ( 1.284 4.487 2.699) 5.391 6.660 ( 6.172 0.909 -0.600) 6.267 6.826 ( 3.649 -4.172 18.566) 19.376 7.154 ( 1.407 -7.946 9.585) 12.529 7.784 ( -6.422 1.292 -0.933) 6.617 8.030 ( -6.898 3.868 -0.299) 7.914 8.292 ( -5.052 -5.582 2.424) 7.909 8.465 ( 2.657 -2.092 1.649) 3.762 8.510 ( -1.325 3.567 1.146) 3.974 8.618 ( 0.489 11.638 -0.887) 11.682 8.845 ( 4.103 13.171 -5.011) 14.677 9.248 ( 1.753 6.052 5.259) 8.207 9.399 ( -2.821 3.332 -0.841) 4.446 9.584 ( -5.724 -2.028 0.645) 6.107 9.757 ( -0.137 2.723 6.153) 6.730 9.841 ( 6.354 -2.169 6.512) 9.353 10.257 ( -9.839 -6.489 -3.268) 12.230 10.580 ( 8.702 -7.539 -2.693) 11.824 11.150 ( -4.998 8.435 -2.808) 10.199 11.258 ( -15.249 8.475 2.841) 17.676 11.520 ( -2.193 9.745 -0.530) 10.003 11.657 ( -6.556 7.235 1.522) 9.881 11.764 ( -0.154 0.968 5.448) 5.536 12.179 ( 3.024 1.710 -0.026) 3.474 12.561 ( 10.917 4.713 0.569) 11.905 12.748 ( 2.586 -8.829 -2.893) 9.645 12.983 ( -4.266 -4.693 -1.531) 6.524 13.190 ( 3.560 -3.571 -1.396) 5.232 14.092 ( -13.519 8.177 1.337) 15.856 14.360 ( -8.747 10.194 -2.107) 13.597 15.203 ( 19.334 0.327 5.146) 20.010 15.364 ( -7.348 -4.574 5.010) 10.001 15.468 ( 1.978 -6.177 -7.902) 10.223 15.840 ( -6.276 -4.502 2.114) 8.008 16.193 ( 3.828 -6.738 -5.330) 9.405 16.711 ( 7.377 -4.872 -3.817) 9.629 17.075 ( -2.402 -4.616 4.097) 6.622 17.352 ( 0.401 -10.748 19.929) 22.646 18.237 ( -2.052 -4.590 -3.488) 6.119 18.549 ( 2.382 -1.913 -4.426) 5.378 18.700 ( -8.182 1.726 4.342) 9.422 19.137 ( -3.059 -4.810 7.663) 9.551 19.494 ( -8.533 11.589 -3.466) 14.803 21.180 ( 18.408 -18.921 -12.469) 29.195 22.777 ( -6.949 9.921 15.282) 19.500 23.844 ( 3.046 -7.385 2.766) 8.454 24.967 ( -1.136 2.108 -11.609) 11.853 25.322 ( 3.782 -3.143 -12.680) 13.600 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 4.614 10.480 6.890) 13.364 1.722 ( 13.579 6.575 8.860) 17.497 1.751 ( -1.556 12.943 16.928) 21.366 1.986 ( 3.226 5.346 10.961) 12.615 2.349 ( 1.393 0.161 1.565) 2.101 2.544 ( 4.097 4.993 -1.500) 6.630 2.677 ( -2.918 -0.323 -3.117) 4.282 3.007 ( 1.688 10.539 10.480) 14.958 3.062 ( -2.694 -10.666 -3.469) 11.535 3.273 ( -4.596 -2.866 2.093) 5.807 3.395 ( 1.217 -2.264 4.015) 4.767 3.547 ( -3.489 -5.177 5.832) 8.543 3.696 ( -1.589 -0.091 8.590) 8.736 3.840 ( 4.163 -7.509 -4.873) 9.872 4.025 ( -5.668 2.848 2.175) 6.706 4.142 ( -0.239 -0.978 3.761) 3.893 4.415 ( 1.116 -6.761 -0.022) 6.852 4.698 ( 9.462 3.929 3.020) 10.681 5.061 ( 0.218 4.466 2.369) 5.060 5.212 ( 7.537 -0.517 -0.980) 7.618 5.376 ( -4.467 4.998 0.304) 6.710 5.758 ( 6.183 0.430 -4.593) 7.715 5.798 ( 2.185 8.207 -5.736) 10.248 5.955 ( 1.239 2.983 -7.261) 7.947 6.461 ( 4.077 6.161 6.519) 9.852 6.798 ( 7.092 -0.473 2.602) 7.569 6.909 ( -2.114 -3.113 17.000) 17.412 7.207 ( 0.841 -5.158 5.045) 7.264 7.628 ( -7.310 -0.726 -1.596) 7.517 7.889 ( -7.627 1.377 -1.192) 7.841 8.193 ( -5.174 -1.798 2.157) 5.887 8.370 ( -7.194 3.201 -0.775) 7.912 8.586 ( 5.252 -2.726 -2.461) 6.409 8.667 ( 2.871 10.080 5.412) 11.796 8.924 ( 4.788 15.451 -2.858) 16.426 9.296 ( 0.277 1.979 -3.646) 4.157 9.345 ( 1.450 4.485 3.451) 5.842 9.487 ( -4.793 -0.601 -0.020) 4.831 9.830 ( 0.281 0.460 12.158) 12.170 9.972 ( 3.987 1.972 -1.152) 4.594 10.090 ( -1.641 -6.199 -5.225) 8.272 10.651 ( 0.179 -5.922 -8.344) 10.233 10.986 ( -5.140 23.501 -0.116) 24.057 11.072 ( -7.162 1.360 2.424) 7.683 11.476 ( -3.812 9.223 2.431) 10.271 11.585 ( -1.767 2.351 1.782) 3.439 11.762 ( -2.698 -0.059 8.959) 9.357 12.248 ( 3.592 -2.614 -1.746) 4.773 12.556 ( -2.795 -2.992 -7.990) 8.978 12.737 ( -8.073 -10.883 2.537) 13.785 13.141 ( 12.909 -0.559 9.706) 16.160 13.314 ( 13.376 -1.928 -2.596) 13.761 13.853 ( -10.872 7.670 -1.466) 13.386 14.316 ( 2.793 3.294 0.345) 4.332 15.013 ( -18.241 -12.686 4.201) 22.612 15.365 ( -9.703 -10.265 -3.431) 14.536 15.675 ( 6.862 4.586 -0.674) 8.281 15.818 ( 15.133 -2.015 2.329) 15.443 16.306 ( 7.880 -4.077 -3.226) 9.440 16.764 ( -0.870 0.125 -1.792) 1.996 17.034 ( -2.688 -1.909 -1.347) 3.561 17.416 ( -0.225 -9.549 18.610) 20.918 18.205 ( 0.477 -6.109 -1.728) 6.367 18.509 ( -11.515 1.132 2.817) 11.909 18.601 ( 1.416 -1.793 -0.656) 2.377 18.999 ( -6.728 1.613 -1.683) 7.120 19.487 ( 2.057 5.988 6.157) 8.831 21.395 ( 9.476 -17.176 -16.101) 25.378 22.678 ( -7.768 10.809 14.513) 19.693 23.915 ( 3.058 -9.042 1.893) 9.731 24.896 ( -1.952 2.809 -10.927) 11.450 25.358 ( 4.049 -2.681 -12.663) 13.563 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 3.573 11.463 11.591) 16.689 1.682 ( -5.810 12.858 10.135) 17.373 1.989 ( 0.001 4.185 20.187) 20.616 2.085 ( 6.550 0.206 3.346) 7.358 2.366 ( 0.103 -0.093 0.763) 0.775 2.598 ( -3.195 -4.370 0.416) 5.429 2.636 ( 5.573 7.524 -5.360) 10.788 2.976 ( -1.892 -8.099 2.290) 8.626 3.104 ( 0.918 -1.897 -0.797) 2.253 3.212 ( -1.312 1.446 2.072) 2.847 3.434 ( 1.151 0.366 4.455) 4.616 3.491 ( -4.497 1.986 7.078) 8.618 3.688 ( -0.105 -2.465 6.219) 6.690 3.847 ( -2.849 -2.964 -3.353) 5.305 4.016 ( 2.322 2.159 7.950) 8.558 4.115 ( -2.559 2.532 4.982) 6.146 4.451 ( 2.247 -10.362 1.859) 10.765 4.878 ( 6.437 0.210 3.593) 7.375 5.060 ( -0.580 9.664 0.308) 9.686 5.278 ( -3.755 3.604 -1.361) 5.380 5.334 ( 3.143 1.902 0.881) 3.778 5.779 ( 0.307 10.971 -6.598) 12.806 5.871 ( 5.629 -0.057 -7.744) 9.574 5.927 ( -2.182 0.227 -6.732) 7.080 6.567 ( 3.686 7.654 8.447) 11.980 6.817 ( -9.608 1.543 13.760) 16.853 6.937 ( 2.915 -0.700 0.224) 3.006 7.172 ( -3.693 -1.554 4.693) 6.170 7.605 ( 5.141 -3.025 0.446) 5.981 7.742 ( -7.296 -2.405 -0.685) 7.713 8.096 ( -5.269 -0.653 -4.946) 7.256 8.297 ( 0.138 -0.308 4.329) 4.342 8.639 ( 1.150 9.796 -2.445) 10.162 8.740 ( 2.409 6.706 3.471) 7.926 8.996 ( 2.608 13.562 1.793) 13.926 9.280 ( 1.130 -1.491 -5.844) 6.137 9.414 ( -0.240 1.805 3.118) 3.610 9.430 ( 0.711 0.989 0.024) 1.219 9.705 ( -9.250 -0.546 3.348) 9.852 10.015 ( -1.416 2.556 -3.103) 4.263 10.181 ( 9.912 -1.148 -6.168) 11.730 10.658 ( 4.208 0.807 -3.900) 5.794 10.892 ( -5.256 13.375 -4.278) 14.994 11.039 ( 0.729 7.968 9.722) 12.591 11.400 ( -2.937 3.991 -2.341) 5.480 11.588 ( -0.082 -1.065 8.321) 8.389 11.721 ( -4.387 -0.015 8.809) 9.841 12.291 ( 1.633 -5.176 -0.550) 5.455 12.469 ( -2.800 -7.336 -6.206) 10.009 12.663 ( 0.696 -11.237 1.304) 11.334 13.252 ( -2.720 5.915 7.026) 9.579 13.634 ( 12.319 -1.248 4.000) 13.012 13.741 ( 2.560 0.337 0.518) 2.633 14.398 ( 4.974 -1.224 -2.186) 5.570 14.664 ( -18.593 -11.859 0.654) 22.063 15.182 ( -6.079 -14.305 -2.802) 15.793 15.738 ( 4.857 3.069 1.779) 6.015 16.156 ( 10.781 0.516 0.819) 10.825 16.409 ( 2.871 -2.712 -2.084) 4.466 16.712 ( -1.241 4.887 2.566) 5.658 16.958 ( -3.912 -0.072 -6.603) 7.675 17.481 ( 0.705 -9.194 19.003) 21.122 18.213 ( -3.443 -1.170 5.791) 6.838 18.338 ( -2.353 -2.763 -2.263) 4.277 18.604 ( -0.427 -1.807 -0.922) 2.073 18.931 ( -0.645 0.920 -2.699) 2.924 19.519 ( -1.297 4.052 5.636) 7.062 21.452 ( 2.910 -15.388 -18.540) 24.269 22.601 ( -4.880 11.788 13.641) 18.678 23.962 ( 1.285 -9.653 1.864) 9.915 24.835 ( -0.436 3.264 -11.728) 12.182 25.386 ( 3.122 -2.467 -12.312) 12.939 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -7.442 13.282 10.769) 18.648 1.696 ( 3.971 15.147 12.821) 20.238 1.884 ( -12.622 -2.758 3.651) 13.426 2.174 ( -1.767 8.166 18.071) 19.909 2.374 ( -1.332 -4.748 2.539) 5.547 2.526 ( -1.807 -1.348 -2.064) 3.057 2.761 ( 5.838 6.684 2.091) 9.118 2.948 ( -3.721 -0.740 -1.640) 4.133 3.083 ( 1.254 -3.217 -3.780) 5.120 3.189 ( -1.382 1.387 -2.343) 3.053 3.440 ( -2.680 -1.357 8.994) 9.482 3.492 ( 1.497 1.319 8.030) 8.274 3.709 ( -0.454 8.481 1.919) 8.708 3.783 ( -2.230 -10.412 1.015) 10.696 4.073 ( 2.159 -5.909 11.015) 12.684 4.130 ( 0.319 5.903 2.272) 6.333 4.499 ( 1.603 -11.040 3.186) 11.602 4.866 ( -6.956 -4.319 4.912) 9.548 5.074 ( -2.766 11.627 1.413) 12.035 5.218 ( 1.651 4.584 -5.917) 7.665 5.366 ( -0.718 1.124 1.898) 2.320 5.760 ( -0.839 7.062 -7.749) 10.518 5.831 ( -3.524 -2.321 -6.075) 7.397 5.939 ( 3.870 6.627 -8.986) 11.817 6.608 ( -3.774 3.637 4.951) 7.210 6.652 ( -8.915 11.059 13.677) 19.719 6.901 ( -4.891 -3.944 -0.134) 6.285 7.225 ( 4.655 0.162 6.025) 7.615 7.628 ( -3.634 -4.427 0.494) 5.749 7.747 ( 7.977 0.875 1.568) 8.177 7.997 ( -2.030 -4.481 -4.395) 6.597 8.379 ( 6.210 0.187 2.827) 6.826 8.625 ( -1.453 12.434 -3.286) 12.942 8.741 ( -3.344 11.208 0.310) 11.700 9.013 ( -1.052 8.450 1.061) 8.581 9.320 ( 4.626 -3.397 -1.303) 5.885 9.370 ( -4.145 2.036 1.493) 4.854 9.465 ( 2.522 -0.231 2.204) 3.357 9.577 ( -6.691 6.305 1.177) 9.269 9.994 ( 1.712 0.093 -3.087) 3.532 10.337 ( 8.165 3.388 -9.822) 13.214 10.620 ( -5.187 6.482 -2.308) 8.617 10.920 ( 7.046 -1.696 -0.766) 7.288 11.025 ( -6.171 11.344 7.492) 14.930 11.430 ( 7.179 2.034 -0.433) 7.474 11.627 ( 0.627 -3.135 9.105) 9.650 11.685 ( -0.924 -0.682 9.814) 9.881 12.325 ( 1.056 -1.124 1.783) 2.357 12.440 ( 2.123 -10.862 -7.181) 13.193 12.741 ( 6.001 -10.329 0.228) 11.948 13.141 ( -8.463 4.498 5.566) 11.084 13.679 ( -5.803 0.165 4.264) 7.203 13.926 ( 9.120 -1.364 11.044) 14.388 14.327 ( -11.978 -5.577 -5.940) 14.486 14.546 ( 9.888 -7.187 -4.854) 13.153 15.167 ( 5.560 -13.182 -3.098) 14.638 15.865 ( 4.712 4.208 4.299) 7.641 16.042 ( -16.212 1.294 -1.379) 16.322 16.467 ( 1.915 -2.297 -1.417) 3.310 16.777 ( 0.988 -0.637 -8.546) 8.627 16.893 ( 2.610 1.637 8.601) 9.136 17.521 ( -4.336 -9.204 18.582) 21.185 18.162 ( 0.312 2.946 2.582) 3.930 18.402 ( 6.127 -5.405 1.251) 8.266 18.596 ( 0.161 -2.882 -1.961) 3.489 18.936 ( 2.241 1.067 -2.077) 3.236 19.473 ( -4.711 5.210 3.539) 7.865 21.393 ( -2.525 -15.050 -20.585) 25.624 22.587 ( -1.125 12.945 13.088) 18.443 23.973 ( -0.909 -9.730 2.365) 10.055 24.811 ( 2.176 3.651 -12.894) 13.576 25.394 ( 1.826 -2.644 -12.036) 12.458 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -8.647 13.880 7.833) 18.132 1.536 ( -18.368 12.800 2.348) 22.511 1.853 ( 3.259 6.574 14.829) 16.545 2.166 ( -5.423 6.353 22.014) 23.545 2.266 ( -9.141 0.129 1.077) 9.205 2.532 ( 0.827 6.633 -3.142) 7.386 2.807 ( -5.674 10.659 6.007) 13.487 2.846 ( -0.856 0.633 1.525) 1.860 3.127 ( 2.353 -1.778 -2.944) 4.167 3.200 ( 4.011 0.725 -5.369) 6.741 3.452 ( 1.806 -3.491 1.702) 4.283 3.527 ( 0.786 -4.167 10.618) 11.434 3.710 ( -0.769 6.285 3.930) 7.453 3.761 ( -0.981 -16.728 3.870) 17.198 4.069 ( -6.934 2.579 -1.214) 7.497 4.146 ( 0.187 -2.703 5.947) 6.535 4.524 ( -0.390 -9.973 3.927) 10.726 4.764 ( -4.683 -5.139 7.555) 10.267 4.932 ( -8.485 6.495 -2.406) 10.954 5.273 ( 2.609 6.505 -3.965) 8.052 5.338 ( -1.279 -0.548 1.133) 1.794 5.669 ( -4.509 -0.007 -2.491) 5.151 5.804 ( 0.668 6.295 -8.720) 10.775 5.952 ( 0.622 6.610 -8.597) 10.862 6.505 ( -4.410 5.418 4.365) 8.238 6.605 ( -3.738 9.550 14.990) 18.163 6.784 ( -7.132 -2.475 -1.240) 7.650 7.237 ( -6.037 -3.942 6.556) 9.745 7.670 ( 7.192 -0.230 0.695) 7.229 7.884 ( 6.060 4.000 2.874) 7.809 8.029 ( 6.137 -6.404 -2.418) 9.193 8.502 ( 4.655 1.979 -2.335) 5.571 8.571 ( -2.389 7.668 -0.914) 8.083 8.656 ( -3.764 12.519 -2.042) 13.231 8.979 ( -2.386 6.738 -1.640) 7.334 9.301 ( -3.353 3.659 5.698) 7.556 9.398 ( -2.891 2.590 1.643) 4.216 9.469 ( 3.568 1.232 0.909) 3.883 9.563 ( 4.445 1.608 3.268) 5.747 10.003 ( -1.540 0.518 -0.524) 1.707 10.347 ( -3.168 0.462 -2.798) 4.251 10.655 ( 8.125 2.826 -9.568) 12.866 10.879 ( -5.456 4.157 3.059) 7.510 11.090 ( 8.924 1.394 -0.120) 9.033 11.570 ( 5.139 1.765 0.706) 5.479 11.666 ( 1.729 0.949 11.674) 11.839 11.768 ( 3.703 0.703 11.231) 11.847 12.271 ( -6.797 -0.391 -2.698) 7.323 12.486 ( 2.326 -5.047 -5.879) 8.090 12.852 ( 5.977 -8.236 -2.497) 10.479 13.071 ( -0.392 0.236 10.586) 10.596 13.514 ( -10.974 -3.764 6.490) 13.293 13.995 ( -6.893 -7.708 0.319) 10.346 14.285 ( 12.594 7.360 5.018) 15.426 14.782 ( 15.624 -6.393 -7.140) 18.329 15.331 ( 11.138 -8.113 -2.935) 14.089 15.550 ( -25.641 4.311 -5.351) 26.546 16.067 ( 6.206 0.744 10.458) 12.184 16.394 ( -9.182 -5.898 -3.646) 11.506 16.673 ( -4.108 -0.666 -13.731) 14.348 17.049 ( 4.734 -4.098 14.968) 16.225 17.439 ( -9.013 -8.497 16.243) 20.427 18.221 ( 2.806 -1.172 0.926) 3.179 18.535 ( 6.899 -1.391 0.248) 7.042 18.621 ( 4.104 -1.497 0.526) 4.400 19.001 ( 3.239 -4.423 0.839) 5.546 19.413 ( 0.596 11.477 1.489) 11.589 21.216 ( -9.149 -15.504 -22.069) 28.480 22.639 ( 1.944 14.057 13.066) 19.289 23.941 ( -3.472 -9.282 3.022) 10.361 24.839 ( 5.328 3.688 -13.615) 15.078 25.378 ( 0.643 -3.086 -11.920) 12.330 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -18.109 17.042 3.863) 25.165 1.414 ( -3.717 20.313 8.109) 22.185 1.915 ( -3.047 3.570 18.499) 19.086 2.064 ( -9.060 0.023 -2.988) 9.540 2.163 ( -3.238 12.529 20.242) 24.025 2.503 ( -2.154 13.459 -1.858) 13.757 2.737 ( -1.382 13.067 7.284) 15.024 2.864 ( -0.322 3.323 3.062) 4.530 3.136 ( 0.766 -3.331 -5.298) 6.305 3.267 ( 2.185 -0.967 4.490) 5.086 3.482 ( 0.650 -9.656 -0.865) 9.717 3.598 ( 2.113 -11.453 4.090) 12.344 3.686 ( -2.522 1.066 2.063) 3.428 3.803 ( 3.332 -4.923 6.231) 8.612 3.907 ( -6.351 -3.329 1.664) 7.361 4.111 ( -3.854 -1.711 2.571) 4.939 4.487 ( -4.610 -11.682 3.103) 12.936 4.730 ( -2.930 -2.170 6.342) 7.316 4.818 ( -1.912 3.658 -5.457) 6.842 5.264 ( -1.863 1.067 2.894) 3.604 5.363 ( 3.705 3.306 -2.714) 5.659 5.604 ( -3.320 4.934 3.783) 7.048 5.763 ( -0.970 6.011 -10.192) 11.872 5.932 ( 0.435 6.025 -7.190) 9.391 6.456 ( -2.624 3.497 0.372) 4.388 6.617 ( -0.450 6.708 15.445) 16.845 6.652 ( -5.321 0.386 -0.199) 5.338 7.129 ( -5.955 -6.582 9.572) 13.054 7.802 ( 4.836 1.298 1.387) 5.196 8.026 ( 7.532 4.899 2.842) 9.424 8.157 ( 7.333 -4.985 -1.901) 9.069 8.467 ( -3.227 2.916 -6.708) 7.994 8.575 ( 0.841 13.073 -1.461) 13.182 8.616 ( -2.146 2.324 5.472) 6.320 8.922 ( -2.226 5.928 -5.620) 8.466 9.290 ( -6.078 6.855 1.865) 9.350 9.305 ( 1.235 5.622 9.253) 10.897 9.594 ( 5.885 -3.628 0.441) 6.927 9.681 ( 5.544 0.916 6.357) 8.484 9.932 ( -5.879 -0.697 2.433) 6.401 10.305 ( 1.051 -4.625 -3.793) 6.073 10.603 ( -8.483 -2.062 0.135) 8.731 10.994 ( 12.936 4.801 -7.485) 15.697 11.270 ( 9.929 2.239 -0.268) 10.182 11.617 ( -0.212 1.097 2.788) 3.003 11.731 ( -0.394 2.813 6.949) 7.507 11.866 ( 3.032 6.379 11.665) 13.637 12.114 ( -5.595 1.642 -4.221) 7.199 12.434 ( -6.033 1.493 -1.227) 6.335 12.959 ( 5.603 -6.721 -1.951) 8.965 13.088 ( -4.367 -0.114 4.097) 5.989 13.312 ( -12.581 -11.549 3.256) 17.385 14.020 ( 14.201 1.904 -0.612) 14.341 14.593 ( 11.911 3.382 10.892) 16.490 15.031 ( -1.732 1.455 -7.180) 7.528 15.046 ( -8.853 5.907 -7.944) 13.281 15.528 ( 8.719 -7.705 -0.550) 11.648 16.128 ( -12.808 -2.436 -1.576) 13.132 16.197 ( 1.176 -3.247 4.938) 6.025 16.559 ( -2.865 -5.748 -11.592) 13.252 17.121 ( -1.416 -8.892 11.676) 14.744 17.334 ( -6.993 -7.364 17.586) 20.307 18.239 ( 0.442 -1.794 -2.213) 2.883 18.637 ( 2.856 1.059 -4.212) 5.198 18.738 ( 5.815 -0.741 4.932) 7.661 18.988 ( -3.913 -7.530 6.805) 10.877 19.617 ( 18.053 9.498 -1.207) 20.435 20.925 ( -12.198 -14.333 -19.829) 27.339 22.733 ( 2.939 13.580 13.833) 19.606 23.869 ( -4.832 -7.763 3.723) 9.873 24.916 ( 7.083 2.797 -13.903) 15.852 25.344 ( -0.024 -3.478 -11.897) 12.395 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -1.131 19.387 1.094) 19.451 1.735 ( -1.088 11.292 5.152) 12.459 1.952 ( -2.835 3.220 12.869) 13.565 2.035 ( 1.488 4.907 0.711) 5.177 2.283 ( -3.469 4.228 7.108) 8.968 2.564 ( 0.681 -0.005 -6.819) 6.853 2.785 ( -0.476 -3.127 4.062) 5.148 2.925 ( -0.710 -5.740 -1.498) 5.975 3.211 ( -2.968 -4.346 1.157) 5.388 3.265 ( 0.971 -5.432 1.353) 5.681 3.314 ( 3.714 -5.822 2.130) 7.227 3.468 ( -6.029 -11.109 6.466) 14.197 3.596 ( -0.960 -4.833 10.556) 11.650 3.695 ( -1.186 19.958 7.544) 21.369 3.952 ( -1.577 0.779 4.025) 4.393 4.180 ( 2.407 -0.398 1.843) 3.057 4.309 ( 2.771 9.488 -0.717) 9.910 4.679 ( -4.714 1.335 -0.075) 4.900 4.810 ( 2.622 -1.662 -2.771) 4.161 5.172 ( -0.976 -6.525 4.691) 8.095 5.546 ( 0.764 6.091 0.482) 6.157 5.680 ( -2.718 4.669 1.376) 5.575 5.893 ( 3.693 6.911 -6.930) 10.460 6.035 ( 2.172 4.825 -6.773) 8.595 6.432 ( -0.718 -0.263 -0.835) 1.132 6.588 ( 2.746 -2.049 -4.096) 5.340 6.776 ( -2.348 4.861 12.237) 13.375 6.951 ( -2.098 -6.681 14.109) 15.751 7.879 ( 0.444 1.428 1.579) 2.174 8.119 ( 1.987 -8.107 0.457) 8.359 8.235 ( -4.236 5.681 3.141) 7.752 8.415 ( 2.968 1.744 -0.626) 3.499 8.613 ( -2.298 4.138 4.185) 6.318 8.898 ( -4.127 10.679 -6.040) 12.944 8.995 ( 2.402 4.631 -10.790) 11.985 9.359 ( 4.484 5.466 6.716) 9.751 9.423 ( -3.659 -1.735 0.222) 4.055 9.570 ( 3.690 -7.490 6.207) 10.403 9.746 ( -1.921 4.883 9.536) 10.885 9.850 ( -2.478 2.604 1.946) 4.088 10.193 ( -2.351 -7.625 -2.273) 8.296 10.420 ( -2.453 -1.479 4.179) 5.066 11.212 ( 5.568 3.977 0.245) 6.847 11.487 ( 4.284 2.744 0.002) 5.088 11.685 ( 0.055 3.026 -1.955) 3.603 11.791 ( -1.973 3.660 2.585) 4.896 12.054 ( -7.580 10.098 4.326) 13.347 12.246 ( 4.025 7.346 0.823) 8.417 12.393 ( 1.886 1.647 1.204) 2.778 12.857 ( -7.334 -1.514 -5.749) 9.441 12.890 ( -1.842 -8.035 -1.788) 8.435 13.055 ( 0.142 -3.312 1.615) 3.688 14.511 ( 3.926 8.555 1.554) 9.540 14.638 ( -5.591 1.010 6.439) 8.587 14.777 ( 4.209 0.986 3.711) 5.697 15.271 ( 4.238 -9.526 -2.149) 10.646 15.553 ( -1.446 5.917 -3.859) 7.210 15.872 ( -3.840 -2.160 -1.416) 4.628 16.038 ( -5.924 -7.858 1.690) 9.984 16.332 ( 6.422 -14.148 -5.497) 16.481 16.974 ( -0.595 -2.734 8.774) 9.209 17.178 ( -3.033 -4.957 15.634) 16.679 18.250 ( -0.918 1.708 -2.640) 3.275 18.536 ( -4.493 -4.174 -8.753) 10.687 18.821 ( -0.735 2.080 4.076) 4.634 18.958 ( 5.432 -3.109 11.267) 12.889 19.879 ( -2.849 7.391 -9.631) 12.470 20.569 ( 9.223 -13.197 -10.864) 19.423 23.036 ( -1.488 11.155 8.700) 14.224 23.662 ( -1.247 -8.548 4.142) 9.580 25.019 ( 3.368 1.902 -13.381) 13.929 25.232 ( 1.642 -4.295 -12.829) 13.628 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 7.222 13.102 0.146) 14.961 1.762 ( 2.075 8.291 5.986) 10.434 1.956 ( -1.536 6.856 15.079) 16.635 2.096 ( 3.748 10.118 1.544) 10.900 2.270 ( 0.052 -0.778 4.357) 4.426 2.575 ( 2.119 1.016 -5.155) 5.665 2.754 ( -3.038 -1.729 1.324) 3.738 2.899 ( -1.671 -6.472 -2.424) 7.110 3.175 ( -2.738 -3.591 4.064) 6.075 3.255 ( -1.699 -2.807 0.410) 3.307 3.361 ( -5.051 -9.494 2.008) 10.940 3.381 ( 2.135 -5.013 6.605) 8.562 3.580 ( -3.026 -7.539 5.363) 9.734 3.757 ( 4.345 7.880 7.933) 11.996 3.995 ( 3.985 2.787 6.325) 7.978 4.288 ( 5.455 5.534 1.721) 7.959 4.322 ( -2.615 5.796 -2.776) 6.939 4.635 ( 2.583 3.566 4.090) 6.009 4.925 ( 9.127 -3.068 0.022) 9.628 5.159 ( -0.513 -2.628 1.012) 2.863 5.525 ( -3.143 2.284 1.329) 4.107 5.645 ( -0.494 1.331 -0.952) 1.709 5.954 ( 4.277 8.131 -6.049) 11.000 6.069 ( 3.282 6.460 -8.404) 11.096 6.462 ( 3.714 2.000 2.809) 5.068 6.680 ( 7.332 -0.022 -2.606) 7.782 6.801 ( 0.683 1.352 13.688) 13.771 6.987 ( 1.169 -7.925 12.401) 14.763 7.831 ( -6.350 2.874 -1.137) 7.063 8.103 ( -5.007 -4.450 9.518) 11.639 8.111 ( -5.878 -0.147 -2.631) 6.442 8.492 ( 1.618 1.799 -2.673) 3.605 8.566 ( -4.061 3.051 1.219) 5.223 8.796 ( -0.601 4.990 -6.613) 8.306 9.063 ( 6.111 5.894 -4.163) 9.456 9.350 ( -3.245 -2.119 -2.666) 4.705 9.486 ( 4.265 10.823 5.435) 12.840 9.549 ( -4.500 -1.186 4.809) 6.691 9.823 ( 7.632 1.473 2.146) 8.064 9.840 ( -1.242 1.916 10.905) 11.141 10.074 ( -7.516 -6.542 -1.007) 10.015 10.476 ( 4.766 -3.848 -1.923) 6.420 11.268 ( -1.264 6.213 4.908) 8.018 11.457 ( -6.508 8.730 2.205) 11.110 11.679 ( -0.796 3.340 -0.444) 3.462 11.767 ( -1.830 0.685 3.597) 4.093 11.846 ( -10.700 9.717 -2.163) 14.615 12.208 ( -1.869 0.316 -1.579) 2.467 12.604 ( 3.359 -3.260 3.573) 5.889 12.708 ( -1.650 6.400 -3.559) 7.507 12.872 ( 3.013 -4.904 -0.681) 5.796 13.117 ( 6.076 -3.402 -1.558) 7.136 14.219 ( -15.368 5.299 7.542) 17.920 14.524 ( -10.908 6.342 -0.434) 12.625 15.041 ( -19.695 -16.381 2.263) 25.717 15.169 ( 14.541 -6.264 2.722) 16.065 15.609 ( 8.838 10.984 -2.915) 14.397 15.777 ( -4.553 0.356 -2.835) 5.376 16.058 ( 7.199 -6.192 -2.816) 9.904 16.553 ( 14.513 -11.822 -2.112) 18.837 16.988 ( -0.777 -2.082 6.700) 7.058 17.190 ( -0.867 -5.726 16.276) 17.276 18.190 ( -3.860 0.061 -4.133) 5.656 18.470 ( 0.137 -5.498 -5.827) 8.012 18.752 ( -7.559 3.360 4.077) 9.222 19.030 ( -2.330 -5.150 8.299) 10.041 19.752 ( -3.675 13.934 -7.567) 16.276 20.802 ( 15.025 -18.366 -10.029) 25.761 22.999 ( -5.075 11.416 8.759) 15.258 23.676 ( 1.179 -9.236 3.567) 9.971 25.008 ( 0.104 2.230 -12.479) 12.677 25.243 ( 3.822 -4.408 -13.112) 14.352 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 4.892 5.597 0.134) 7.434 1.844 ( 2.786 4.169 8.220) 9.628 2.000 ( 1.913 8.144 14.510) 16.748 2.148 ( 0.248 10.879 4.454) 11.758 2.316 ( 3.353 -1.850 2.729) 4.702 2.592 ( 0.047 0.799 -2.571) 2.693 2.717 ( 1.192 1.591 -2.770) 3.409 2.846 ( -3.475 -7.207 0.106) 8.002 3.101 ( -4.820 -2.794 4.587) 7.217 3.242 ( -0.654 -3.219 -5.028) 6.006 3.339 ( 2.005 -3.750 3.495) 5.504 3.450 ( 3.187 -1.106 12.576) 13.020 3.533 ( -2.952 -9.840 1.687) 10.411 3.890 ( 7.129 -1.080 4.320) 8.406 4.101 ( 2.043 4.634 6.347) 8.120 4.143 ( -8.783 8.076 1.593) 12.037 4.420 ( 2.879 6.292 1.841) 7.160 4.742 ( 4.746 0.991 6.673) 8.248 5.116 ( 9.537 -1.377 0.276) 9.639 5.199 ( 5.236 0.643 -1.692) 5.540 5.454 ( -4.250 1.972 0.818) 4.756 5.654 ( 1.736 -5.680 -0.993) 6.021 5.998 ( 2.313 8.891 -7.090) 11.605 6.087 ( 1.729 7.386 -10.183) 12.698 6.578 ( 6.470 4.850 5.487) 9.771 6.806 ( 4.363 0.968 4.773) 6.539 6.878 ( 2.436 0.037 11.854) 12.102 7.074 ( 4.595 -7.543 7.747) 11.748 7.655 ( -10.292 3.327 -0.625) 10.834 7.931 ( -10.586 2.292 -1.955) 11.007 8.092 ( -1.227 -6.476 9.319) 11.415 8.365 ( -10.404 -3.957 -2.362) 11.379 8.553 ( 3.483 3.300 -6.761) 8.290 8.858 ( 6.002 5.472 -0.810) 8.162 9.170 ( 5.558 5.327 -2.256) 8.022 9.298 ( -0.933 -1.468 -4.946) 5.243 9.433 ( -3.583 1.493 2.943) 4.871 9.600 ( -0.113 15.007 5.494) 15.981 9.776 ( -8.240 -7.576 6.103) 12.749 9.994 ( 8.650 1.301 -5.338) 10.247 10.047 ( 5.810 2.848 9.400) 11.412 10.516 ( 1.196 -6.433 -7.478) 9.937 11.167 ( -9.054 7.492 4.341) 12.528 11.373 ( -2.423 14.490 1.532) 14.771 11.637 ( -6.595 2.462 2.374) 7.429 11.666 ( -4.054 5.322 0.040) 6.691 11.775 ( -0.956 3.172 5.728) 6.617 12.190 ( 0.760 -4.768 -3.656) 6.056 12.486 ( -7.574 -4.915 -4.205) 9.961 12.569 ( -12.473 -3.081 2.391) 13.068 13.166 ( 17.935 2.745 8.340) 19.969 13.285 ( 13.064 -0.940 -1.995) 13.249 13.992 ( -13.029 6.266 4.017) 15.005 14.368 ( -3.637 3.093 -1.397) 4.974 14.690 ( -17.377 -16.819 4.775) 24.651 15.090 ( -14.538 -16.618 -2.393) 22.209 15.756 ( 3.115 4.270 -5.659) 7.743 15.949 ( 19.952 11.890 3.986) 23.566 16.204 ( 8.628 -4.921 -1.890) 10.111 16.760 ( 6.805 -2.271 -1.555) 7.341 16.983 ( -1.478 -1.856 3.145) 3.940 17.250 ( 1.282 -7.372 15.955) 17.622 18.121 ( -1.229 -1.571 -3.093) 3.680 18.470 ( 0.085 -7.519 -2.234) 7.844 18.583 ( -10.591 3.478 3.210) 11.600 18.950 ( -6.069 -5.009 2.697) 8.319 19.723 ( 1.022 15.940 -2.889) 16.232 20.999 ( 9.173 -21.227 -12.473) 26.274 22.923 ( -5.405 12.981 9.019) 16.705 23.715 ( 1.466 -10.747 3.185) 11.304 24.960 ( -0.543 3.653 -12.231) 12.776 25.278 ( 4.017 -4.988 -13.028) 14.517 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 1.947 1.341 2.510) 3.448 1.873 ( -1.990 5.289 8.867) 10.515 2.075 ( -1.073 3.848 5.879) 7.108 2.177 ( 2.787 4.586 10.343) 11.652 2.376 ( 1.100 3.350 1.040) 3.676 2.543 ( -4.645 -0.009 4.441) 6.426 2.785 ( 0.231 -7.846 3.740) 8.695 2.820 ( 6.782 7.492 -4.494) 11.060 3.053 ( -0.955 -3.995 -2.934) 5.047 3.230 ( 1.175 -2.714 0.265) 2.969 3.352 ( -3.378 -1.628 11.296) 11.902 3.472 ( -3.357 -10.226 -1.380) 10.851 3.650 ( 12.725 3.847 8.842) 15.966 3.913 ( -10.460 8.722 -0.674) 13.636 4.030 ( 3.348 -5.599 6.187) 8.991 4.201 ( 1.923 4.004 8.777) 9.837 4.400 ( -4.086 8.748 3.071) 10.131 4.819 ( 0.321 -4.739 4.858) 6.794 5.237 ( 3.989 4.980 -1.311) 6.514 5.311 ( 4.730 0.666 -1.583) 5.032 5.385 ( -2.960 2.559 0.356) 3.929 5.682 ( 0.529 -10.066 -1.810) 10.241 5.999 ( 0.768 9.448 -7.926) 12.356 6.081 ( 1.725 7.735 -10.199) 12.916 6.699 ( 2.761 4.811 5.031) 7.488 6.821 ( -4.649 -0.931 11.547) 12.483 6.980 ( 3.950 4.221 4.568) 7.368 7.150 ( -0.426 -0.861 6.065) 6.141 7.547 ( 1.565 -1.084 1.723) 2.568 7.729 ( -9.056 0.265 -0.241) 9.063 8.056 ( -6.368 -3.074 -1.428) 7.214 8.244 ( 0.272 -5.796 7.843) 9.756 8.630 ( 6.287 -0.328 -7.364) 9.689 8.958 ( 3.722 6.762 0.639) 7.745 9.239 ( 2.669 4.686 -2.721) 6.040 9.272 ( -1.593 1.494 -3.349) 3.999 9.385 ( -3.569 -2.060 0.866) 4.211 9.555 ( -1.654 6.692 1.619) 7.081 9.687 ( -3.391 4.135 8.979) 10.451 10.103 ( -0.813 4.639 -0.878) 4.791 10.197 ( 9.667 2.556 -1.920) 10.182 10.567 ( 8.400 -8.041 -4.824) 12.589 11.019 ( -8.405 7.220 2.334) 11.323 11.334 ( -1.531 10.538 -1.846) 10.808 11.473 ( -8.453 3.253 -0.950) 9.107 11.623 ( -3.135 2.795 5.572) 6.977 11.787 ( -0.817 7.070 8.541) 11.117 12.212 ( 2.691 -3.169 -4.005) 5.772 12.348 ( -6.520 -5.030 -1.420) 8.356 12.415 ( -0.537 -11.362 3.683) 11.956 13.393 ( 1.468 7.308 5.809) 9.450 13.599 ( 15.789 -0.990 5.326) 16.692 13.785 ( -5.610 3.576 0.650) 6.684 14.342 ( -2.195 -5.099 -0.748) 5.602 14.402 ( -12.278 -10.984 -1.171) 16.516 14.853 ( -6.523 -17.220 -2.159) 18.540 15.829 ( 5.478 5.375 0.650) 7.702 16.197 ( 3.795 -1.081 3.400) 5.209 16.387 ( 9.553 5.014 -1.602) 10.907 16.803 ( -0.651 3.396 -1.241) 3.674 16.949 ( -2.585 -0.336 -0.174) 2.613 17.322 ( 0.608 -7.558 15.156) 16.947 18.141 ( 3.500 -3.566 1.531) 5.226 18.380 ( -7.623 5.384 1.496) 9.452 18.481 ( -0.687 -8.994 -1.495) 9.143 18.869 ( -2.683 -6.256 0.370) 6.817 19.729 ( -0.018 15.764 -2.294) 15.931 21.067 ( 2.946 -21.739 -14.949) 26.547 22.870 ( -3.025 14.397 9.353) 17.433 23.745 ( 0.530 -11.760 3.311) 12.229 24.918 ( 0.547 4.917 -12.690) 13.621 25.304 ( 3.036 -5.461 -12.846) 14.285 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.041 -0.072 3.575) 3.576 1.858 ( -1.632 5.135 6.432) 8.391 2.012 ( -6.632 7.708 7.482) 12.625 2.272 ( 1.146 -5.449 2.020) 5.923 2.347 ( -1.752 9.552 5.037) 10.939 2.491 ( -3.035 1.503 9.943) 10.504 2.808 ( 2.033 -8.219 1.193) 8.551 2.956 ( 4.975 7.671 -2.501) 9.479 3.051 ( 3.349 -1.867 -4.479) 5.896 3.250 ( -3.866 4.013 8.709) 10.339 3.320 ( -0.107 -10.951 3.473) 11.489 3.411 ( -2.726 -6.213 4.415) 8.095 3.727 ( -8.321 5.059 2.854) 10.148 3.937 ( 12.796 3.544 5.600) 14.411 4.032 ( -5.662 7.811 7.919) 12.481 4.194 ( -4.399 -5.604 7.818) 10.577 4.392 ( 2.296 7.538 0.980) 7.941 4.765 ( -6.402 -5.945 2.830) 9.184 5.232 ( -8.343 3.377 -0.918) 9.047 5.315 ( 1.010 0.595 -1.613) 1.994 5.380 ( 1.097 3.707 -0.750) 3.938 5.650 ( -2.053 -7.624 -1.625) 8.061 5.988 ( 1.008 9.501 -9.255) 13.302 6.095 ( 2.418 7.031 -8.907) 11.602 6.658 ( -6.811 1.585 4.160) 8.137 6.786 ( -2.605 -2.760 4.705) 6.045 6.921 ( -8.656 9.530 9.054) 15.739 7.221 ( 1.269 -0.881 7.129) 7.294 7.568 ( 0.722 -0.544 1.432) 1.694 7.749 ( 10.176 -1.438 0.115) 10.278 7.931 ( -4.060 -0.892 -0.497) 4.186 8.363 ( 7.361 -2.662 8.271) 11.388 8.691 ( 1.151 -0.448 -6.229) 6.350 8.981 ( -2.002 9.172 1.598) 9.523 9.172 ( -2.647 -0.730 -9.733) 10.112 9.287 ( 2.059 3.194 3.941) 5.475 9.381 ( 1.557 0.573 -0.537) 1.744 9.534 ( -2.555 4.966 1.661) 5.827 9.689 ( -0.353 5.852 9.904) 11.509 10.011 ( -5.259 2.158 -2.799) 6.337 10.373 ( 7.442 1.156 -1.164) 7.621 10.691 ( 0.303 -2.892 0.731) 2.998 10.884 ( -1.201 4.002 -2.907) 5.090 11.208 ( -8.420 4.334 -8.588) 12.784 11.509 ( 10.696 3.963 3.645) 11.975 11.598 ( -0.019 -0.842 7.022) 7.072 11.774 ( -2.375 9.756 5.883) 11.637 12.248 ( -1.664 -7.538 -1.622) 7.888 12.324 ( 7.464 0.249 1.550) 7.627 12.523 ( 8.302 -9.985 1.919) 13.127 13.276 ( -10.659 8.443 4.110) 14.205 13.674 ( -9.241 -0.603 4.576) 10.330 13.868 ( 4.426 -3.832 7.035) 9.152 14.270 ( 5.498 -2.736 -5.405) 8.180 14.329 ( 1.171 -9.815 -3.237) 10.401 14.877 ( 8.787 -14.495 -1.616) 17.027 15.953 ( 5.653 4.410 5.476) 9.022 16.137 ( -10.803 4.982 0.239) 11.899 16.436 ( -4.056 1.333 0.818) 4.347 16.767 ( -2.310 -0.446 -7.168) 7.544 16.924 ( 0.361 1.525 6.224) 6.419 17.337 ( -4.955 -9.821 13.719) 17.585 18.219 ( 1.341 1.109 6.091) 6.335 18.342 ( 5.754 1.905 -1.662) 6.285 18.491 ( 2.652 -6.826 -1.410) 7.458 18.844 ( -0.500 -8.281 -0.006) 8.296 19.706 ( -0.901 16.357 -3.670) 16.788 21.020 ( -2.540 -21.034 -16.858) 27.075 22.873 ( 0.098 14.877 9.511) 17.658 23.754 ( -0.852 -11.847 3.752) 12.457 24.903 ( 2.420 5.427 -13.389) 14.648 25.308 ( 1.748 -5.637 -12.742) 14.043 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -6.102 6.595 0.758) 9.017 1.823 ( -5.200 9.036 7.245) 12.695 1.946 ( -1.998 4.687 12.305) 13.318 2.174 ( -6.375 0.682 -4.471) 7.816 2.411 ( -2.264 6.652 16.912) 18.314 2.495 ( 4.401 -2.834 -2.034) 5.615 2.808 ( -2.958 -5.414 -3.342) 7.016 3.012 ( 2.559 3.738 1.952) 4.932 3.080 ( -1.469 0.421 2.196) 2.676 3.218 ( 1.976 -4.015 0.278) 4.483 3.328 ( -1.864 -4.587 1.531) 5.182 3.423 ( 1.604 -8.455 10.881) 13.873 3.620 ( -4.299 3.532 5.050) 7.514 3.884 ( -10.096 9.022 10.519) 17.146 4.100 ( -1.913 4.799 -1.066) 5.275 4.180 ( 2.425 -3.137 6.775) 7.850 4.405 ( -2.146 6.809 -0.712) 7.174 4.674 ( -2.205 -5.376 4.816) 7.547 5.013 ( -11.408 1.778 -3.180) 11.976 5.264 ( -5.245 -6.253 1.265) 8.259 5.434 ( 4.059 7.487 -1.525) 8.651 5.641 ( 1.158 -1.625 2.132) 2.921 5.964 ( -0.677 8.423 -10.582) 13.542 6.087 ( -0.458 6.010 -8.057) 10.062 6.548 ( -5.294 0.221 2.322) 5.785 6.715 ( -4.843 -4.608 -3.032) 7.340 6.826 ( -5.372 9.957 15.211) 18.958 7.137 ( -9.914 -4.953 9.233) 14.424 7.699 ( 9.305 2.263 -0.036) 9.576 7.885 ( 4.417 -6.055 -1.435) 7.631 7.994 ( 9.054 6.581 5.095) 12.298 8.526 ( 6.523 1.060 4.906) 8.231 8.628 ( -4.992 0.263 -4.561) 6.767 8.926 ( -2.268 12.748 -1.457) 13.030 9.133 ( 0.176 0.737 -10.324) 10.352 9.349 ( -0.289 1.350 5.344) 5.519 9.362 ( -0.761 0.791 1.850) 2.151 9.508 ( -0.165 -0.197 1.358) 1.382 9.702 ( -1.384 10.279 8.179) 13.209 9.938 ( -1.729 -6.622 -0.594) 6.870 10.355 ( -9.380 2.527 8.554) 12.944 10.672 ( -1.041 -2.665 -3.807) 4.762 10.931 ( 4.615 2.666 -4.134) 6.745 11.140 ( 7.020 2.676 -8.741) 11.526 11.626 ( 3.765 3.161 1.736) 5.213 11.730 ( 2.119 1.318 6.381) 6.852 11.840 ( 10.168 8.198 9.175) 15.962 12.207 ( -1.923 -3.797 -2.287) 4.832 12.478 ( 5.900 1.775 -0.547) 6.185 12.677 ( 7.272 -7.985 -1.319) 10.880 13.132 ( -5.711 5.377 8.988) 11.930 13.444 ( -14.736 -3.019 4.122) 15.597 13.872 ( 0.268 -3.615 -1.940) 4.111 14.383 ( 8.934 -2.072 2.789) 9.586 14.580 ( 20.951 -7.292 -2.084) 22.281 15.089 ( 11.331 -12.218 -2.483) 16.848 15.783 ( -20.433 14.564 -4.014) 25.411 16.090 ( 2.746 1.199 9.771) 10.220 16.299 ( -10.195 -3.203 1.464) 10.786 16.641 ( -8.115 -3.332 -10.943) 14.025 16.968 ( -0.415 -3.189 10.007) 10.511 17.247 ( -7.171 -10.094 13.538) 18.346 18.245 ( 0.589 3.531 2.386) 4.302 18.522 ( 10.781 0.259 -0.420) 10.792 18.578 ( 6.440 -2.854 1.341) 7.171 18.833 ( -0.973 -9.799 0.283) 9.851 19.703 ( 3.113 16.060 -4.842) 17.060 20.864 ( -7.896 -18.778 -17.830) 27.071 22.928 ( 2.182 14.202 9.326) 17.130 23.735 ( -2.471 -10.983 4.172) 12.005 24.925 ( 4.464 4.836 -13.855) 15.339 25.289 ( 0.712 -5.443 -12.697) 13.833 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -8.473 16.368 1.613) 18.501 1.763 ( -3.386 12.681 6.158) 14.498 1.960 ( -2.108 1.417 14.257) 14.482 2.058 ( -3.695 1.015 -3.366) 5.101 2.353 ( -6.357 7.239 10.347) 14.138 2.580 ( 2.102 -2.304 -6.244) 6.980 2.750 ( 0.496 -3.504 0.836) 3.636 2.970 ( -4.168 -2.295 2.138) 5.217 3.172 ( 7.120 -2.647 1.018) 7.664 3.261 ( 0.762 -2.444 3.422) 4.274 3.278 ( -2.650 -9.156 -0.264) 9.535 3.492 ( 0.819 -10.437 8.899) 13.740 3.588 ( -1.956 5.334 8.695) 10.386 3.748 ( -7.140 11.829 9.986) 17.047 4.013 ( -5.136 2.728 0.861) 5.879 4.185 ( -2.087 0.175 0.805) 2.244 4.325 ( -4.151 7.143 -0.584) 8.282 4.704 ( 0.972 -1.598 4.337) 4.723 4.850 ( -4.447 -0.182 -4.075) 6.034 5.184 ( -3.050 -7.841 3.997) 9.315 5.503 ( 3.442 8.038 -0.788) 8.779 5.686 ( 1.273 2.674 5.325) 6.093 5.900 ( -1.295 7.228 -11.325) 13.497 6.045 ( -0.716 4.863 -7.009) 8.561 6.474 ( -3.085 -0.864 -0.153) 3.207 6.614 ( -3.498 -3.331 -5.015) 6.963 6.795 ( -3.622 7.648 14.162) 16.498 6.994 ( -7.453 -5.765 12.081) 15.321 7.830 ( 4.280 1.035 0.694) 4.458 8.012 ( 7.933 -6.230 1.440) 10.189 8.167 ( 7.044 7.598 4.135) 11.155 8.493 ( -6.673 0.699 -5.204) 8.491 8.617 ( 0.773 2.151 5.536) 5.989 8.913 ( 1.478 16.051 -3.664) 16.530 9.068 ( -3.133 3.289 -12.465) 13.267 9.303 ( -0.497 0.996 3.021) 3.219 9.456 ( 4.494 -5.604 9.122) 11.611 9.484 ( -3.040 1.004 1.675) 3.613 9.724 ( 0.861 5.236 8.606) 10.110 9.908 ( -2.310 -4.131 -0.831) 4.805 10.226 ( -4.771 -0.069 5.139) 7.013 10.546 ( -9.335 -4.156 1.656) 10.352 11.072 ( 9.688 3.452 -5.282) 11.562 11.324 ( 11.976 1.750 -4.428) 12.888 11.681 ( 1.425 4.502 -0.896) 4.807 11.790 ( 1.418 2.924 6.752) 7.493 12.022 ( 6.238 8.502 6.804) 12.549 12.171 ( -0.801 3.920 0.185) 4.005 12.488 ( -4.212 2.296 -1.196) 4.944 12.800 ( 6.453 -8.570 -2.473) 11.009 13.085 ( -3.663 -1.193 7.230) 8.193 13.149 ( -16.359 -3.320 -1.622) 16.771 14.060 ( 21.131 3.067 0.905) 21.372 14.612 ( 10.980 -2.995 6.633) 13.174 14.986 ( 20.726 -6.217 -2.079) 21.738 15.066 ( -17.688 -1.400 -1.192) 17.783 15.538 ( 1.059 8.710 -3.966) 9.629 16.066 ( -13.271 -2.764 1.516) 13.640 16.127 ( -3.322 -3.581 6.145) 7.850 16.412 ( -9.998 -10.019 -10.933) 17.885 16.967 ( -1.982 -4.316 9.790) 10.882 17.194 ( -3.862 -6.522 15.001) 16.808 18.257 ( 0.444 3.265 -1.148) 3.489 18.634 ( -0.348 -2.576 -6.342) 6.854 18.731 ( 7.948 0.159 4.247) 9.013 18.839 ( 2.219 -5.753 6.990) 9.321 19.814 ( 9.340 10.431 -5.824) 15.164 20.634 ( -8.702 -14.383 -16.510) 23.562 23.000 ( 1.855 12.589 8.936) 15.550 23.693 ( -3.127 -9.511 4.366) 10.922 24.976 ( 5.338 3.269 -13.907) 15.251 25.257 ( 0.374 -4.889 -12.676) 13.592 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -1.553 11.684 -2.043) 11.963 1.851 ( -2.243 -0.323 2.212) 3.167 2.025 ( -0.107 4.734 8.117) 9.397 2.095 ( 2.760 -0.182 5.281) 5.962 2.385 ( -3.812 5.661 4.022) 7.922 2.504 ( 0.140 -5.328 -0.038) 5.330 2.738 ( 0.736 -0.099 0.377) 0.833 2.811 ( 1.354 -6.220 -3.237) 7.141 3.107 ( -2.184 -0.579 5.192) 5.662 3.162 ( 2.404 -4.533 0.514) 5.157 3.270 ( -1.347 -0.790 -0.022) 1.562 3.282 ( -5.589 -4.007 9.719) 11.906 3.530 ( -2.552 2.037 6.731) 7.481 3.692 ( -4.974 -11.640 2.986) 13.006 4.219 ( 0.544 12.654 2.616) 12.934 4.283 ( 0.346 4.311 -2.761) 5.131 4.577 ( 3.214 16.328 2.645) 16.850 4.701 ( -2.040 0.856 2.602) 3.415 4.770 ( 0.438 -1.253 1.048) 1.692 4.960 ( 1.298 -14.154 5.753) 15.334 5.664 ( -2.333 4.701 0.672) 5.291 5.720 ( -3.047 -0.585 1.493) 3.443 6.029 ( 4.204 6.094 -8.806) 11.504 6.099 ( 3.573 0.300 -8.294) 9.035 6.425 ( 0.828 0.805 1.347) 1.774 6.499 ( 3.018 -5.717 -0.369) 6.475 6.845 ( -3.307 1.638 8.713) 9.462 6.868 ( -2.887 -1.535 11.025) 11.499 7.912 ( 1.193 2.220 2.547) 3.583 7.983 ( 1.181 -4.985 2.070) 5.526 8.361 ( -5.655 6.360 2.573) 8.891 8.446 ( 0.298 -0.679 4.031) 4.099 8.729 ( -0.517 6.950 -3.290) 7.707 8.876 ( -2.128 -6.908 -11.273) 13.392 9.171 ( -1.911 7.821 -3.055) 8.611 9.288 ( -2.381 -5.848 0.741) 6.358 9.452 ( 4.310 1.552 4.433) 6.375 9.531 ( 2.872 0.147 8.586) 9.055 9.801 ( 0.526 -0.411 2.483) 2.571 9.834 ( 0.479 -1.122 2.812) 3.065 10.200 ( -4.598 6.432 3.832) 8.786 10.341 ( -2.310 -6.114 5.307) 8.419 11.324 ( 6.797 6.754 2.333) 9.862 11.458 ( 6.914 -5.281 1.943) 8.915 11.766 ( -2.587 4.728 -1.807) 5.684 11.830 ( -2.358 -0.745 0.012) 2.473 12.244 ( -6.325 8.134 1.901) 10.478 12.362 ( -8.017 -2.538 -0.443) 8.420 12.438 ( 9.961 9.204 2.840) 13.856 12.663 ( 3.018 -11.658 0.331) 12.046 12.908 ( -5.090 4.009 -3.892) 7.559 12.992 ( -2.002 -3.592 -0.834) 4.196 14.637 ( 11.334 3.810 3.066) 12.344 14.668 ( -5.923 0.968 4.655) 7.595 14.835 ( 0.138 5.765 3.752) 6.880 15.028 ( -2.926 -12.177 2.556) 12.782 15.714 ( 3.358 8.403 -6.257) 11.002 15.834 ( 0.413 -2.601 -3.326) 4.242 15.928 ( -7.553 -1.323 1.236) 7.767 16.046 ( 1.222 -11.976 -1.492) 12.130 16.990 ( -0.532 3.384 10.398) 10.947 17.079 ( -1.660 -4.832 12.728) 13.715 18.316 ( -2.750 4.595 -3.944) 6.651 18.427 ( -4.068 -5.950 -6.185) 9.497 18.867 ( 1.377 2.273 4.603) 5.315 18.910 ( 3.693 -1.963 7.261) 8.380 20.064 ( 1.327 10.675 -9.913) 14.629 20.305 ( 5.280 -12.642 -10.405) 17.204 23.259 ( -1.406 10.697 5.896) 12.295 23.471 ( -1.235 -10.035 4.698) 11.149 25.069 ( 2.728 3.103 -13.600) 14.213 25.144 ( 2.154 -4.131 -13.414) 14.200 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 1.548 10.200 -2.241) 10.558 1.837 ( 0.079 -0.901 2.961) 3.097 2.062 ( 1.323 5.333 5.948) 8.097 2.178 ( 3.029 -4.280 4.558) 6.948 2.365 ( 0.391 10.159 5.415) 11.519 2.537 ( 2.740 -5.749 1.719) 6.597 2.725 ( -1.575 2.145 0.131) 2.664 2.819 ( -0.450 -4.347 -3.331) 5.495 3.083 ( -1.734 -1.907 4.769) 5.421 3.148 ( -6.116 -7.932 10.415) 14.450 3.257 ( 2.592 1.300 -4.125) 5.042 3.279 ( 2.830 -1.884 -0.342) 3.417 3.508 ( -1.670 0.333 6.641) 6.856 3.637 ( -0.945 -10.637 2.372) 10.939 4.249 ( 1.105 10.359 5.571) 11.814 4.343 ( 4.398 -0.022 -1.399) 4.615 4.572 ( -3.309 14.092 -0.082) 14.476 4.723 ( 1.595 2.717 8.474) 9.040 4.858 ( 9.054 -0.560 0.305) 9.077 5.022 ( 4.100 -10.365 4.358) 11.968 5.584 ( -5.116 3.362 -0.582) 6.149 5.641 ( -4.440 -1.801 -1.040) 4.903 6.099 ( 4.782 5.732 -7.637) 10.679 6.158 ( 4.348 0.911 -8.743) 9.807 6.506 ( 6.771 3.679 4.212) 8.783 6.619 ( 9.238 -5.899 -0.043) 10.961 6.840 ( -0.323 1.628 9.396) 9.542 6.874 ( -0.469 -2.665 11.715) 12.023 7.892 ( -4.531 3.146 0.758) 5.569 7.968 ( -3.022 -4.727 3.809) 6.781 8.232 ( -8.281 7.974 0.990) 11.538 8.412 ( -6.462 -8.205 1.067) 10.498 8.702 ( -0.181 8.154 -5.474) 9.822 8.822 ( 0.960 -2.504 -8.307) 8.730 9.163 ( 2.002 4.808 -1.251) 5.356 9.254 ( -0.883 -4.941 -0.286) 5.027 9.512 ( -0.606 1.294 4.916) 5.120 9.627 ( 2.703 -6.244 7.225) 9.925 9.805 ( 0.131 4.070 2.729) 4.902 9.858 ( 2.730 0.396 3.063) 4.122 10.164 ( -0.611 10.488 3.641) 11.119 10.365 ( 1.968 -7.871 1.746) 8.299 11.417 ( 0.610 7.936 7.346) 10.831 11.551 ( 1.701 -2.846 7.655) 8.342 11.690 ( -5.039 3.536 -1.015) 6.239 11.774 ( -2.784 -2.324 -0.426) 3.651 12.032 ( -11.338 8.540 -5.553) 15.242 12.171 ( -8.934 -4.378 -4.390) 10.874 12.597 ( -0.706 2.610 3.689) 4.574 12.690 ( -3.656 -5.674 3.006) 7.389 12.923 ( 10.909 6.921 -2.933) 13.248 13.042 ( 8.142 -4.473 -2.275) 9.564 14.353 ( -16.696 8.605 9.343) 20.978 14.549 ( -13.100 -7.356 7.412) 16.753 14.839 ( -15.449 1.215 -2.838) 15.754 14.987 ( -3.414 -9.931 -1.135) 10.563 15.802 ( 5.466 6.438 -7.246) 11.128 15.905 ( 6.328 5.027 0.170) 8.083 15.951 ( 13.038 2.825 -1.562) 13.432 16.251 ( 18.447 -16.439 0.742) 24.720 17.007 ( -1.199 3.180 9.741) 10.317 17.090 ( -1.474 -4.525 12.839) 13.692 18.234 ( -4.000 4.062 -5.145) 7.679 18.344 ( -2.478 -6.316 -5.943) 9.020 18.833 ( -6.186 4.506 4.904) 9.090 18.929 ( -4.036 -4.813 6.646) 9.145 20.066 ( 2.750 16.809 -8.681) 19.117 20.427 ( 9.197 -18.313 -9.244) 22.481 23.235 ( -2.836 11.697 5.729) 13.329 23.469 ( -0.592 -10.995 4.359) 11.843 25.066 ( 1.576 3.549 -13.241) 13.798 25.150 ( 2.960 -4.552 -13.402) 14.460 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.907 7.956 -2.091) 8.276 1.865 ( 1.086 -2.733 3.746) 4.763 2.104 ( 1.267 4.517 3.778) 6.024 2.206 ( -0.587 -4.763 1.377) 4.993 2.430 ( 2.259 10.046 11.448) 15.397 2.586 ( 0.116 -4.763 6.519) 8.074 2.702 ( -0.276 4.468 1.093) 4.608 2.810 ( 2.731 -1.683 -5.039) 5.974 3.025 ( -4.677 -2.448 3.653) 6.420 3.092 ( -2.372 -9.353 2.328) 9.926 3.305 ( 2.558 2.230 0.514) 3.432 3.363 ( 3.678 -3.105 -0.755) 4.872 3.533 ( 3.845 4.381 8.096) 9.976 3.699 ( 6.426 -11.101 3.601) 13.323 4.276 ( -1.597 6.384 6.165) 9.017 4.316 ( -6.170 4.428 0.626) 7.620 4.581 ( 2.493 9.718 3.542) 10.639 4.740 ( -2.307 -3.129 7.892) 8.797 5.077 ( 12.261 0.836 0.074) 12.289 5.165 ( 9.311 -4.971 2.058) 10.753 5.491 ( -4.004 2.875 -1.148) 5.062 5.564 ( -3.069 -3.775 -1.304) 5.037 6.143 ( 2.609 5.130 -8.330) 10.125 6.188 ( 2.062 1.403 -9.678) 9.994 6.676 ( 8.018 5.688 5.324) 11.180 6.794 ( 5.868 -3.832 1.961) 7.277 6.896 ( 3.537 1.289 9.868) 10.562 6.938 ( 5.053 -4.173 11.205) 12.981 7.756 ( -9.275 6.214 0.716) 11.187 7.888 ( -7.475 -6.210 1.478) 9.830 8.077 ( -7.081 5.360 3.441) 9.524 8.228 ( -11.145 -8.354 -0.960) 13.961 8.695 ( 1.952 9.293 -7.570) 12.144 8.863 ( 5.014 -5.210 -6.506) 9.727 9.228 ( 4.472 1.833 0.313) 4.843 9.256 ( 1.005 -1.632 -1.288) 2.309 9.472 ( -4.301 3.403 4.451) 7.063 9.592 ( -6.462 -8.128 4.834) 11.454 9.897 ( 5.854 9.141 5.657) 12.240 9.990 ( 9.704 -1.780 2.064) 10.080 10.182 ( 1.717 9.905 1.973) 10.244 10.379 ( -0.515 -7.951 -2.835) 8.457 11.355 ( -8.333 10.222 4.897) 14.068 11.546 ( -8.450 -6.658 3.583) 11.338 11.616 ( 0.218 7.606 4.237) 8.709 11.730 ( -3.088 -1.398 0.441) 3.419 11.884 ( -1.501 6.806 -2.575) 7.430 12.045 ( -1.562 -8.417 -1.928) 8.775 12.455 ( -11.752 2.320 -0.908) 12.013 12.523 ( -12.794 -3.017 0.011) 13.145 13.232 ( 18.065 2.991 4.465) 18.847 13.270 ( 15.221 -0.886 0.611) 15.260 14.133 ( -11.907 8.375 8.914) 17.070 14.355 ( -11.235 -12.707 8.776) 19.097 14.505 ( -14.238 8.050 -5.595) 17.287 14.752 ( -15.197 -15.190 -5.283) 22.127 15.870 ( 4.252 6.544 -3.897) 8.724 16.007 ( 4.809 -6.179 -0.755) 7.866 16.313 ( 20.325 14.827 -0.039) 25.159 16.607 ( 16.491 -12.306 -1.649) 20.642 17.007 ( -1.882 3.884 8.912) 9.902 17.112 ( -0.434 -6.060 13.127) 14.465 18.152 ( -2.688 4.547 -3.739) 6.472 18.292 ( -1.494 -8.655 -3.551) 9.474 18.690 ( -9.648 6.428 3.876) 12.224 18.827 ( -7.465 -6.702 3.996) 10.799 20.102 ( 3.160 20.768 -7.464) 22.293 20.548 ( 6.361 -22.531 -10.060) 25.482 23.199 ( -2.793 13.823 5.977) 15.316 23.474 ( -0.413 -12.870 4.325) 13.584 25.050 ( 1.338 5.146 -13.103) 14.140 25.164 ( 3.000 -5.883 -13.279) 14.831 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -0.279 6.524 -2.605) 7.030 1.876 ( -1.064 -5.049 2.266) 5.636 2.127 ( 0.056 2.828 0.831) 2.948 2.188 ( -1.669 -2.455 2.657) 3.984 2.496 ( 0.870 5.557 13.272) 14.415 2.585 ( -2.914 -1.724 12.195) 12.657 2.722 ( 0.810 7.576 2.759) 8.103 2.911 ( 7.722 -2.220 -1.201) 8.124 2.977 ( -0.280 -1.385 -1.654) 2.176 3.067 ( -0.380 -9.171 0.163) 9.181 3.336 ( -0.010 -0.154 4.740) 4.743 3.361 ( -2.840 -1.471 3.383) 4.655 3.725 ( 10.920 4.322 5.550) 12.990 3.850 ( 5.898 -8.156 5.086) 11.277 4.141 ( -8.210 10.927 0.530) 13.678 4.277 ( -2.227 -0.557 5.706) 6.150 4.593 ( -2.907 7.870 5.600) 10.087 4.715 ( -2.884 -4.991 6.718) 8.852 5.254 ( 4.955 0.858 -0.075) 5.029 5.316 ( 3.879 -3.350 -0.424) 5.142 5.440 ( -0.257 3.823 -1.705) 4.194 5.525 ( -0.495 -5.054 -0.979) 5.172 6.151 ( 1.461 4.971 -8.837) 10.244 6.185 ( 1.541 1.860 -9.858) 10.150 6.764 ( -1.022 2.125 4.585) 5.156 6.799 ( -4.943 -1.274 7.359) 8.957 7.063 ( 9.365 3.427 6.377) 11.837 7.120 ( 6.825 -2.220 6.730) 9.838 7.600 ( -5.363 5.706 2.725) 8.291 7.708 ( -9.221 -3.235 0.815) 9.806 8.010 ( -4.255 -0.382 2.789) 5.102 8.081 ( -0.811 -7.580 6.385) 9.944 8.729 ( 4.100 9.298 -8.681) 13.365 8.936 ( 4.452 -8.492 -7.217) 12.001 9.259 ( -0.844 2.517 -1.571) 3.085 9.309 ( 2.714 -0.722 2.000) 3.448 9.406 ( -2.997 3.733 3.095) 5.700 9.503 ( -3.430 -5.357 4.457) 7.767 9.965 ( -1.246 13.901 5.801) 15.114 10.138 ( 1.004 -2.655 1.976) 3.458 10.271 ( 7.338 4.725 -0.658) 8.752 10.398 ( 7.160 -7.625 -2.946) 10.867 11.202 ( -8.028 9.838 -1.409) 12.775 11.373 ( -8.860 -5.523 -4.052) 11.199 11.562 ( -5.028 5.555 1.224) 7.592 11.645 ( -5.306 -1.664 2.422) 6.066 11.957 ( 5.327 8.380 6.077) 11.642 12.130 ( 8.253 -8.225 3.382) 12.133 12.234 ( -8.775 0.795 -0.878) 8.855 12.299 ( -7.990 -3.590 0.838) 8.799 13.519 ( 8.190 4.726 4.128) 10.318 13.583 ( 13.861 -1.483 5.285) 14.908 13.906 ( -11.653 8.437 2.039) 14.530 14.115 ( -13.695 -11.773 2.610) 18.247 14.365 ( -1.803 3.389 -3.227) 5.015 14.532 ( -4.112 -12.902 -3.118) 13.896 15.949 ( 4.671 6.409 1.350) 8.044 16.088 ( 3.365 -7.051 2.776) 8.291 16.601 ( 8.995 12.220 -3.169) 15.501 16.792 ( 3.774 -5.364 -6.005) 8.892 16.994 ( -2.640 5.385 8.713) 10.578 17.149 ( -0.963 -9.021 12.453) 15.407 18.133 ( 2.059 3.396 0.498) 4.002 18.273 ( 0.773 -9.493 -0.568) 9.541 18.534 ( -6.866 8.488 1.858) 11.074 18.712 ( -5.019 -8.617 1.625) 10.103 20.120 ( 1.220 21.913 -7.861) 23.312 20.595 ( 2.239 -23.953 -11.594) 26.706 23.177 ( -1.510 15.354 6.470) 16.729 23.481 ( -0.369 -14.141 4.642) 14.888 25.035 ( 1.687 6.476 -13.242) 14.837 25.175 ( 2.549 -6.915 -13.220) 15.136 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 1.354 5.002 -2.398) 5.710 1.859 ( -0.633 -5.023 0.918) 5.145 2.103 ( -2.758 3.213 1.163) 4.391 2.171 ( -1.094 -3.855 2.379) 4.660 2.550 ( -1.086 2.758 13.830) 14.144 2.561 ( -3.019 5.431 11.660) 13.212 2.731 ( -0.240 5.437 0.968) 5.527 2.956 ( -0.729 -8.982 -0.471) 9.023 3.057 ( 3.967 0.674 -2.027) 4.506 3.087 ( 2.643 -5.434 1.569) 6.243 3.310 ( -3.063 2.284 10.270) 10.958 3.357 ( 0.306 -1.884 3.493) 3.980 3.777 ( -8.682 3.068 6.826) 11.462 3.916 ( -1.596 -9.748 7.536) 12.424 4.124 ( 6.220 12.560 0.149) 14.017 4.286 ( 2.930 1.143 5.547) 6.377 4.550 ( -2.364 6.203 1.906) 6.907 4.651 ( -5.839 -4.146 5.482) 9.019 5.241 ( -6.751 -0.996 -0.825) 6.874 5.260 ( -7.091 -3.037 -1.600) 7.878 5.478 ( 3.508 3.782 -0.651) 5.200 5.540 ( 2.164 -3.270 0.576) 3.963 6.149 ( 1.331 5.538 -9.844) 11.373 6.191 ( 1.887 1.633 -9.502) 9.825 6.678 ( -7.798 0.861 3.352) 8.532 6.714 ( -5.649 -2.969 1.902) 6.659 7.094 ( -7.430 6.318 9.979) 13.954 7.183 ( -4.291 -2.851 8.062) 9.568 7.606 ( 5.021 3.500 -0.226) 6.125 7.685 ( 5.898 -3.967 -2.547) 7.551 8.002 ( 4.220 7.775 8.021) 11.941 8.213 ( 9.152 -11.132 12.258) 18.919 8.765 ( 1.782 8.358 -8.554) 12.091 8.973 ( 1.844 -9.999 -6.771) 12.216 9.209 ( -2.774 8.291 -1.237) 8.830 9.334 ( 0.133 -0.676 2.073) 2.185 9.408 ( 1.277 1.092 2.020) 2.627 9.478 ( -1.691 -6.243 4.301) 7.768 9.921 ( -4.485 11.778 4.227) 13.293 10.048 ( -8.174 -0.688 0.371) 8.212 10.420 ( 6.050 4.178 2.602) 7.799 10.553 ( 5.224 -8.067 3.422) 10.202 11.041 ( -5.571 8.748 -9.181) 13.851 11.195 ( -6.599 -5.343 -12.272) 14.923 11.565 ( 5.357 2.974 4.846) 7.813 11.607 ( 1.232 -0.185 3.477) 3.694 11.980 ( -2.237 8.806 4.550) 10.162 12.121 ( -2.280 -5.682 3.953) 7.288 12.327 ( 10.280 0.337 1.425) 10.383 12.370 ( 10.815 -4.610 2.384) 11.996 13.463 ( -11.494 9.245 4.097) 15.309 13.624 ( -11.824 -5.594 5.574) 14.219 13.844 ( 1.695 3.724 -0.967) 4.204 14.021 ( 3.243 -12.568 -2.189) 13.162 14.392 ( 8.056 7.943 -1.190) 11.376 14.600 ( 10.706 -12.211 -0.346) 16.243 16.045 ( 3.786 4.639 5.652) 8.234 16.137 ( -0.243 -3.797 4.839) 6.156 16.585 ( -9.969 10.622 -4.552) 15.262 16.738 ( -6.007 -3.479 -7.821) 10.457 16.969 ( -2.383 3.732 7.902) 9.058 17.118 ( -5.998 -10.597 11.196) 16.542 18.239 ( 7.158 2.736 5.438) 9.397 18.343 ( 6.411 -6.930 2.177) 9.688 18.467 ( 0.068 8.497 -1.540) 8.636 18.655 ( -1.439 -9.619 -0.561) 9.742 20.099 ( -0.413 21.553 -8.924) 23.331 20.562 ( -1.413 -23.253 -13.008) 26.681 23.185 ( 0.021 15.412 6.834) 16.860 23.489 ( -0.485 -14.139 5.032) 15.016 25.030 ( 2.314 6.846 -13.528) 15.338 25.175 ( 1.996 -7.131 -13.266) 15.193 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 1.727 5.578 -1.594) 6.053 1.865 ( 0.628 -2.884 1.855) 3.486 2.047 ( -3.853 4.722 5.879) 8.468 2.144 ( -2.808 -4.620 0.904) 5.481 2.520 ( -2.749 6.280 8.774) 11.134 2.558 ( -3.205 3.496 6.886) 8.361 2.722 ( -1.000 1.154 -0.979) 1.814 2.914 ( -3.199 -12.896 -2.642) 13.547 3.084 ( 0.359 0.472 0.458) 0.749 3.105 ( -0.885 -0.410 2.882) 3.042 3.331 ( 0.299 -0.268 10.044) 10.052 3.367 ( -1.370 -0.957 5.798) 6.034 3.627 ( -7.839 5.081 9.249) 13.145 3.855 ( -5.540 -14.451 8.190) 17.510 4.197 ( 0.728 16.692 2.619) 16.912 4.444 ( 7.342 11.388 3.402) 13.970 4.482 ( -2.746 -6.151 -4.093) 7.882 4.585 ( -2.091 0.752 6.288) 6.669 5.024 ( -12.499 0.475 -1.610) 12.611 5.106 ( -9.081 -7.677 0.476) 11.900 5.554 ( 4.493 4.192 1.173) 6.256 5.611 ( 4.508 -1.667 2.654) 5.491 6.120 ( -1.129 6.107 -11.184) 12.793 6.172 ( -0.889 1.425 -9.566) 9.713 6.544 ( -6.562 0.387 1.402) 6.721 6.603 ( -5.717 -5.339 -1.697) 8.004 6.979 ( -7.541 5.116 12.204) 15.231 7.057 ( -9.829 -3.208 10.699) 14.878 7.740 ( 7.648 1.819 -2.102) 8.137 7.788 ( 6.069 -3.279 -2.525) 7.345 8.185 ( 9.162 11.736 10.197) 18.046 8.426 ( 7.143 -10.317 10.752) 16.525 8.737 ( -1.138 9.945 -7.216) 12.340 8.970 ( 0.454 -11.744 -7.302) 13.837 9.182 ( 0.604 12.167 -0.810) 12.209 9.338 ( -0.388 -0.867 1.151) 1.492 9.430 ( -1.606 -0.603 2.664) 3.168 9.457 ( -0.346 -5.386 2.973) 6.162 9.838 ( -4.873 4.299 3.853) 7.554 9.889 ( -7.664 1.195 1.749) 7.951 10.437 ( -6.683 5.029 8.639) 12.024 10.561 ( -4.905 -6.835 2.686) 8.831 11.020 ( 6.507 5.755 -10.061) 13.292 11.133 ( 6.034 -3.965 -11.949) 13.961 11.686 ( 5.791 3.009 5.387) 8.462 11.733 ( 6.747 -0.989 4.003) 7.907 12.027 ( 6.284 8.424 5.097) 11.681 12.147 ( 3.103 -3.273 2.336) 5.080 12.500 ( 5.894 0.840 -0.353) 5.964 12.550 ( 6.856 -4.321 -1.191) 8.191 13.263 ( -10.817 6.746 6.735) 14.418 13.379 ( -14.454 -4.123 4.724) 15.756 13.887 ( 6.956 6.167 -3.000) 9.768 14.122 ( 10.227 -15.537 -2.348) 18.748 14.654 ( 16.644 8.548 2.225) 18.843 14.854 ( 13.772 -10.808 0.333) 17.510 16.053 ( -10.225 8.833 -0.596) 13.525 16.109 ( -1.180 0.389 7.051) 7.160 16.294 ( -15.678 4.883 -0.183) 16.422 16.496 ( -16.650 -10.854 -7.535) 21.255 16.958 ( -1.626 2.614 8.390) 8.937 17.062 ( -2.794 -7.361 11.341) 13.806 18.353 ( 1.596 6.651 5.012) 8.479 18.489 ( 5.776 -5.741 4.467) 9.289 18.557 ( 9.863 2.808 -1.898) 10.429 18.653 ( 2.762 -6.976 -3.162) 8.142 20.061 ( 0.011 18.956 -9.493) 21.200 20.464 ( -4.157 -20.137 -13.668) 24.690 23.216 ( 0.769 13.983 6.786) 15.561 23.492 ( -1.029 -12.875 5.193) 13.921 25.036 ( 3.053 6.045 -13.765) 15.340 25.166 ( 1.644 -6.449 -13.344) 14.912 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -1.271 9.735 -1.332) 9.908 1.879 ( -0.682 -0.853 2.812) 3.016 2.015 ( -1.961 4.063 9.876) 10.858 2.082 ( -2.813 -0.910 1.350) 3.250 2.472 ( -6.416 4.265 7.314) 10.623 2.520 ( -0.945 -1.506 -0.123) 1.782 2.705 ( 0.966 0.919 -1.380) 1.919 2.839 ( -2.692 -10.204 -4.277) 11.387 3.101 ( 1.131 -0.902 2.649) 3.018 3.117 ( 1.172 -2.345 2.118) 3.370 3.322 ( -3.959 0.463 4.741) 6.194 3.343 ( -3.655 -3.542 10.026) 11.244 3.556 ( -3.342 4.374 8.916) 10.479 3.779 ( -5.349 -14.299 6.204) 16.479 4.210 ( -0.085 17.460 2.948) 17.707 4.348 ( -5.225 4.991 -3.725) 8.130 4.540 ( -0.184 11.004 0.231) 11.008 4.661 ( 5.659 -1.952 5.393) 8.057 4.830 ( -6.866 -0.315 -0.229) 6.877 4.969 ( -4.894 -12.271 3.438) 13.651 5.643 ( 3.577 5.194 1.922) 6.594 5.705 ( 3.361 -0.943 4.313) 5.548 6.044 ( -1.890 6.350 -11.767) 13.504 6.111 ( -1.409 0.627 -9.416) 9.542 6.451 ( -3.484 -0.331 0.508) 3.536 6.507 ( -3.132 -5.766 -1.834) 6.813 6.897 ( -5.184 2.458 10.849) 12.273 6.925 ( -7.220 -1.322 10.734) 13.004 7.852 ( 4.455 1.532 0.591) 4.748 7.905 ( 6.005 -3.917 0.451) 7.184 8.347 ( 4.490 8.987 7.641) 12.622 8.481 ( -3.336 -3.169 3.866) 6.010 8.726 ( 1.593 8.548 -3.341) 9.315 8.940 ( -0.761 -11.116 -10.277) 15.158 9.208 ( 0.584 10.618 -0.939) 10.675 9.322 ( -1.155 -2.462 -1.387) 3.053 9.393 ( -1.070 1.408 4.806) 5.121 9.476 ( 0.425 -1.756 6.160) 6.419 9.793 ( -0.588 -1.724 -0.641) 1.931 9.812 ( -1.346 -0.356 6.751) 6.893 10.304 ( -7.952 5.927 5.662) 11.421 10.433 ( -7.950 -6.413 3.766) 10.886 11.165 ( 9.794 5.877 -4.341) 12.219 11.288 ( 10.818 -5.043 -4.722) 12.836 11.783 ( 1.710 4.576 1.174) 5.024 11.830 ( 2.312 0.208 3.900) 4.539 12.189 ( 8.050 6.823 4.560) 11.495 12.243 ( 5.740 1.769 3.330) 6.868 12.518 ( -3.407 1.811 -1.627) 4.187 12.622 ( 2.434 -8.147 -2.956) 9.002 13.081 ( -10.814 1.719 2.942) 11.338 13.122 ( -12.092 -1.453 0.917) 12.213 14.181 ( 23.611 9.296 1.478) 25.418 14.425 ( 19.919 -13.275 2.349) 24.052 14.939 ( 9.796 2.083 2.411) 10.302 15.011 ( -0.492 -3.826 0.846) 3.950 15.780 ( -10.759 13.394 -4.828) 17.846 16.007 ( -14.278 -5.940 -2.262) 15.629 16.072 ( -7.586 0.045 5.371) 9.295 16.172 ( -12.193 -10.696 -3.196) 16.531 16.966 ( -0.606 3.415 9.762) 10.360 17.067 ( -1.352 -5.881 12.183) 13.596 18.360 ( -1.042 6.578 -0.672) 6.694 18.512 ( -2.650 -7.890 -2.065) 8.575 18.748 ( 9.089 1.268 2.438) 9.496 18.776 ( 7.970 -1.516 3.108) 8.688 20.053 ( 2.416 13.055 -9.439) 16.290 20.338 ( -3.605 -14.559 -13.009) 19.855 23.249 ( 0.232 11.863 6.364) 13.464 23.483 ( -1.562 -11.018 5.046) 12.219 25.054 ( 3.404 4.413 -13.816) 14.898 25.153 ( 1.624 -5.163 -13.386) 14.438 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 14.253 0.000 20.930) 25.322 1.241 ( -5.440 0.000 30.721) 31.199 1.602 ( -3.759 0.000 -2.084) 4.298 2.145 ( -14.660 0.000 26.685) 30.447 2.290 ( 4.231 0.000 2.700) 5.020 2.472 ( -1.190 0.000 39.384) 39.402 2.723 ( -1.017 0.000 -2.564) 2.758 2.819 ( 0.382 0.000 1.738) 1.779 3.051 ( 3.243 0.000 -15.013) 15.360 3.333 ( 0.655 0.000 -5.793) 5.830 3.386 ( 2.172 0.000 -5.259) 5.690 3.955 ( -8.644 0.000 21.389) 23.069 4.116 ( 1.633 0.000 13.186) 13.287 4.237 ( 9.589 0.000 15.936) 18.599 4.326 ( -8.987 0.000 -12.320) 15.249 4.372 ( -2.506 0.000 3.260) 4.112 4.456 ( -1.509 0.000 -1.451) 2.093 4.574 ( -4.215 0.000 6.544) 7.784 4.788 ( 1.057 0.000 -3.880) 4.021 5.096 ( -1.420 0.000 -13.724) 13.797 5.267 ( 5.183 0.000 -17.320) 18.079 5.378 ( 2.232 0.000 -7.161) 7.501 5.592 ( -5.824 0.000 8.199) 10.057 5.670 ( 9.200 0.000 -3.801) 9.954 6.319 ( -0.137 0.000 0.372) 0.397 6.576 ( 0.659 0.000 -2.015) 2.120 7.174 ( 11.187 0.000 6.232) 12.806 7.337 ( 0.702 0.000 3.217) 3.293 7.869 ( -1.183 0.000 -0.223) 1.204 7.988 ( 5.002 0.000 -1.937) 5.364 8.067 ( -0.355 0.000 -5.668) 5.680 8.085 ( -4.704 0.000 -3.249) 5.718 8.373 ( -1.577 0.000 -1.482) 2.164 8.398 ( 1.858 0.000 -1.392) 2.322 9.033 ( 5.038 0.000 7.507) 9.041 9.416 ( -8.011 0.000 18.393) 20.062 9.543 ( -2.718 0.000 -1.389) 3.052 9.595 ( 3.747 0.000 -4.767) 6.063 9.712 ( 2.589 0.000 2.593) 3.664 9.903 ( 0.204 0.000 -0.275) 0.342 10.270 ( 4.977 0.000 -8.163) 9.561 10.687 ( 9.387 0.000 -19.683) 21.807 10.898 ( 1.911 0.000 8.931) 9.133 11.370 ( -17.822 0.000 7.320) 19.267 11.519 ( -16.071 0.000 -6.384) 17.293 11.679 ( 0.078 0.000 -0.705) 0.709 11.715 ( -5.773 0.000 8.762) 10.493 12.136 ( 8.975 0.000 -0.872) 9.017 12.781 ( 9.313 0.000 -1.966) 9.519 12.962 ( -32.017 0.000 7.260) 32.830 13.107 ( 3.020 0.000 -0.158) 3.025 13.199 ( -3.386 0.000 4.266) 5.447 13.705 ( 2.423 0.000 -4.283) 4.921 13.813 ( -9.401 0.000 -6.705) 11.547 15.069 ( 13.080 0.000 3.489) 13.538 15.080 ( 9.194 0.000 6.200) 11.089 15.787 ( 6.216 0.000 1.943) 6.512 16.115 ( -7.303 0.000 -9.577) 12.044 16.189 ( 0.101 0.000 11.710) 11.711 16.784 ( 4.545 0.000 -5.572) 7.191 17.383 ( -8.799 0.000 12.117) 14.975 17.917 ( 5.315 0.000 1.595) 5.549 18.348 ( 6.992 0.000 -0.905) 7.050 18.438 ( -8.291 0.000 -8.101) 11.592 18.956 ( -4.610 0.000 8.799) 9.934 19.428 ( 5.004 0.000 19.298) 19.937 19.509 ( -10.058 0.000 -8.635) 13.256 21.010 ( 12.103 0.000 -32.204) 34.404 23.307 ( -0.451 0.000 26.967) 26.971 24.061 ( -1.006 0.000 9.493) 9.546 24.545 ( 5.577 0.000 -16.401) 17.323 25.092 ( 1.925 0.000 -19.202) 19.298 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -8.690 0.000 18.794) 20.706 1.398 ( 21.336 0.000 17.013) 27.288 1.694 ( 9.459 0.000 7.027) 11.784 1.962 ( -10.083 0.000 16.615) 19.435 2.382 ( 4.106 0.000 4.525) 6.110 2.630 ( 0.552 0.000 10.575) 10.589 2.750 ( 7.595 0.000 29.849) 30.800 2.834 ( 0.968 0.000 2.289) 2.485 3.039 ( 2.233 0.000 -16.473) 16.624 3.405 ( -0.145 0.000 -3.841) 3.843 3.449 ( 8.944 0.000 -1.898) 9.143 3.835 ( -10.804 0.000 22.093) 24.593 4.144 ( -3.807 0.000 12.368) 12.941 4.152 ( -3.282 0.000 -13.854) 14.238 4.276 ( -7.154 0.000 8.531) 11.134 4.288 ( -5.421 0.000 6.272) 8.291 4.310 ( -9.719 0.000 -3.205) 10.234 4.679 ( 7.623 0.000 11.077) 13.447 4.886 ( 7.088 0.000 -1.533) 7.252 5.045 ( 2.061 0.000 -16.742) 16.868 5.300 ( 4.021 0.000 -15.163) 15.687 5.429 ( 5.599 0.000 -10.186) 11.623 5.470 ( -8.642 0.000 6.425) 10.768 5.831 ( 7.261 0.000 -2.988) 7.852 6.373 ( 4.530 0.000 5.065) 6.795 6.647 ( 7.601 0.000 -3.007) 8.174 7.334 ( 3.085 0.000 4.163) 5.181 7.376 ( 1.733 0.000 3.735) 4.117 7.780 ( -10.284 0.000 -1.382) 10.377 7.948 ( -6.076 0.000 -4.509) 7.566 7.980 ( 1.055 0.000 -10.934) 10.985 8.100 ( 2.792 0.000 -0.114) 2.795 8.320 ( -2.636 0.000 -3.668) 4.517 8.453 ( 2.448 0.000 0.489) 2.496 9.120 ( -5.118 0.000 13.789) 14.708 9.261 ( -5.319 0.000 8.274) 9.836 9.440 ( -5.744 0.000 -6.151) 8.416 9.652 ( 3.300 0.000 -4.535) 5.609 9.838 ( 5.931 0.000 1.406) 6.095 9.959 ( 4.716 0.000 5.046) 6.907 10.186 ( -9.513 0.000 -7.026) 11.827 10.510 ( -25.169 0.000 27.643) 37.385 10.725 ( -0.066 0.000 -21.000) 21.001 11.151 ( -16.125 0.000 -7.789) 17.908 11.446 ( 9.697 0.000 13.402) 16.542 11.617 ( -7.814 0.000 6.913) 10.433 11.747 ( 5.153 0.000 0.860) 5.224 12.312 ( 9.362 0.000 -3.198) 9.893 12.728 ( -1.366 0.000 3.377) 3.642 12.871 ( -2.288 0.000 0.290) 2.306 13.205 ( 6.650 0.000 3.053) 7.318 13.288 ( 12.022 0.000 7.039) 13.931 13.611 ( -7.861 0.000 -2.476) 8.242 13.811 ( 9.384 0.000 -2.786) 9.789 15.214 ( 2.597 0.000 -1.774) 3.145 15.349 ( 16.724 0.000 3.033) 16.997 15.887 ( -12.289 0.000 -11.161) 16.600 15.979 ( 9.733 0.000 -2.408) 10.027 16.153 ( -4.933 0.000 12.646) 13.574 16.806 ( -0.828 0.000 -7.952) 7.995 17.243 ( -9.485 0.000 10.548) 14.186 18.015 ( 2.581 0.000 5.792) 6.341 18.297 ( -1.337 0.000 -10.684) 10.767 18.514 ( 8.326 0.000 2.071) 8.580 18.829 ( -10.849 0.000 9.325) 14.306 19.148 ( -21.569 0.000 2.340) 21.696 19.617 ( 6.620 0.000 18.404) 19.558 21.138 ( 11.866 0.000 -36.387) 38.273 23.174 ( -17.545 0.000 26.388) 31.688 24.144 ( 3.940 0.000 7.503) 8.475 24.567 ( 2.101 0.000 -16.484) 16.617 25.077 ( 3.281 0.000 -19.668) 19.939 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -2.722 0.000 17.281) 17.494 1.708 ( 1.553 0.000 16.478) 16.551 1.919 ( 10.367 0.000 9.309) 13.933 1.976 ( 9.805 0.000 12.784) 16.111 2.483 ( 5.465 0.000 3.833) 6.675 2.612 ( -0.503 0.000 -5.335) 5.359 2.840 ( -2.323 0.000 2.322) 3.285 3.030 ( 2.035 0.000 -15.467) 15.600 3.112 ( 15.126 0.000 35.735) 38.804 3.313 ( -8.379 0.000 -2.735) 8.814 3.506 ( -5.668 0.000 0.391) 5.681 3.751 ( -4.783 0.000 15.677) 16.391 4.005 ( -12.265 0.000 19.600) 23.121 4.138 ( 4.080 0.000 -7.959) 8.943 4.185 ( 0.989 0.000 -7.553) 7.617 4.218 ( -0.932 0.000 1.344) 1.635 4.227 ( -4.809 0.000 14.888) 15.646 4.820 ( 3.331 0.000 12.842) 13.267 4.942 ( 1.842 0.000 -11.359) 11.507 5.108 ( 7.324 0.000 -8.323) 11.087 5.318 ( 2.710 0.000 -13.994) 14.254 5.350 ( -5.297 0.000 6.309) 8.238 5.496 ( 4.242 0.000 -10.850) 11.650 5.894 ( 1.202 0.000 -7.026) 7.128 6.491 ( 4.491 0.000 10.856) 11.748 6.822 ( 10.923 0.000 -3.259) 11.399 7.261 ( -14.577 0.000 10.060) 17.711 7.405 ( -0.976 0.000 6.180) 6.257 7.603 ( -3.642 0.000 -3.739) 5.219 7.800 ( -6.589 0.000 -6.148) 9.012 8.015 ( 4.952 0.000 -13.450) 14.332 8.116 ( -1.085 0.000 -0.422) 1.164 8.278 ( -0.223 0.000 -2.598) 2.607 8.491 ( 1.943 0.000 -0.831) 2.113 8.950 ( -10.987 0.000 17.295) 20.490 9.327 ( -3.126 0.000 -7.588) 8.206 9.328 ( 4.165 0.000 6.564) 7.774 9.675 ( 0.823 0.000 -5.908) 5.965 9.735 ( -12.650 0.000 -1.724) 12.767 10.052 ( -5.493 0.000 -5.015) 7.438 10.082 ( 5.571 0.000 4.615) 7.235 10.436 ( 4.755 0.000 28.385) 28.781 10.473 ( -16.328 0.000 -17.563) 23.980 11.029 ( 4.775 0.000 -10.345) 11.394 11.436 ( -9.550 0.000 8.680) 12.905 11.682 ( 6.768 0.000 14.142) 15.678 11.835 ( 3.242 0.000 2.212) 3.925 12.443 ( 5.852 0.000 -8.378) 10.219 12.755 ( 2.820 0.000 -3.154) 4.231 12.765 ( -7.215 0.000 2.652) 7.687 13.369 ( 9.098 0.000 3.075) 9.604 13.387 ( -4.482 0.000 6.555) 7.941 13.726 ( 16.642 0.000 5.615) 17.563 14.016 ( 12.495 0.000 -2.332) 12.710 15.193 ( -4.664 0.000 1.277) 4.835 15.620 ( -11.081 0.000 -11.325) 15.844 15.709 ( 20.423 0.000 0.027) 20.423 15.880 ( -11.655 0.000 -1.324) 11.730 16.325 ( 12.605 0.000 6.229) 14.060 16.675 ( -10.018 0.000 -10.405) 14.444 17.112 ( -7.571 0.000 12.224) 14.379 18.069 ( 3.182 0.000 5.630) 6.467 18.329 ( 5.886 0.000 -6.866) 9.044 18.581 ( -5.506 0.000 9.860) 11.293 18.626 ( -13.233 0.000 7.724) 15.322 18.868 ( -6.009 0.000 0.381) 6.021 19.754 ( 1.378 0.000 17.145) 17.200 21.210 ( 7.889 0.000 -34.546) 35.436 22.939 ( -15.455 0.000 27.744) 31.758 24.217 ( 1.601 0.000 6.173) 6.377 24.523 ( -0.316 0.000 -18.983) 18.986 25.090 ( 4.508 0.000 -19.097) 19.622 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.139 0.000 19.761) 19.762 1.697 ( -5.049 0.000 12.498) 13.479 2.110 ( 5.484 0.000 12.221) 13.395 2.253 ( 11.545 0.000 14.743) 18.725 2.579 ( 2.310 0.000 -3.135) 3.894 2.586 ( -0.960 0.000 -3.311) 3.448 2.756 ( -6.250 0.000 -0.169) 6.252 3.006 ( -0.619 0.000 -9.797) 9.816 3.138 ( -6.470 0.000 0.630) 6.501 3.319 ( -12.240 0.000 2.471) 12.487 3.461 ( 5.588 0.000 16.781) 17.687 3.584 ( -9.672 0.000 13.757) 16.817 3.959 ( -3.682 0.000 27.128) 27.377 4.212 ( -2.060 0.000 15.762) 15.896 4.217 ( 7.843 0.000 -6.285) 10.051 4.223 ( 0.760 0.000 2.650) 2.757 4.291 ( 8.309 0.000 -3.868) 9.165 4.899 ( 0.625 0.000 12.113) 12.129 4.940 ( 3.021 0.000 -15.134) 15.432 5.192 ( 2.987 0.000 -4.879) 5.721 5.315 ( 2.174 0.000 -14.232) 14.397 5.336 ( 1.987 0.000 6.670) 6.960 5.496 ( -0.766 0.000 -10.327) 10.355 5.850 ( -2.144 0.000 -12.275) 12.461 6.594 ( 1.847 0.000 13.869) 13.992 6.935 ( -20.747 0.000 12.242) 24.090 6.992 ( 6.847 0.000 -2.749) 7.378 7.364 ( -5.410 0.000 8.929) 10.441 7.599 ( 2.357 0.000 -0.091) 2.359 7.707 ( -0.180 0.000 -8.957) 8.959 8.054 ( 3.418 0.000 -12.417) 12.879 8.075 ( -2.018 0.000 -3.220) 3.801 8.281 ( 0.319 0.000 0.235) 0.396 8.502 ( -0.970 0.000 -1.610) 1.880 8.902 ( 0.681 0.000 15.835) 15.849 9.289 ( 1.826 0.000 -8.102) 8.305 9.404 ( 0.731 0.000 1.770) 1.915 9.502 ( -10.717 0.000 1.532) 10.826 9.653 ( -0.625 0.000 -6.530) 6.560 9.897 ( -7.750 0.000 -2.897) 8.274 10.133 ( -7.603 0.000 -6.959) 10.307 10.202 ( 1.564 0.000 -7.458) 7.620 10.707 ( 12.392 0.000 23.749) 26.788 11.157 ( 10.282 0.000 -6.442) 12.134 11.282 ( -9.448 0.000 6.831) 11.659 11.839 ( 5.055 0.000 13.928) 14.817 11.888 ( 2.138 0.000 1.344) 2.526 12.434 ( -3.642 0.000 -11.995) 12.536 12.692 ( -0.776 0.000 3.244) 3.335 12.807 ( 3.899 0.000 -3.492) 5.234 13.335 ( -3.446 0.000 8.477) 9.151 13.549 ( 8.722 0.000 2.247) 9.007 13.992 ( 7.395 0.000 6.001) 9.524 14.246 ( 12.409 0.000 -3.738) 12.959 15.019 ( -15.426 0.000 6.783) 16.852 15.438 ( -3.967 0.000 -9.489) 10.285 15.717 ( -3.391 0.000 -0.292) 3.403 16.083 ( 17.469 0.000 -4.104) 17.944 16.398 ( -13.123 0.000 -8.691) 15.740 16.503 ( 3.538 0.000 -6.287) 7.214 17.096 ( 1.931 0.000 23.046) 23.126 18.187 ( 5.207 0.000 5.031) 7.240 18.387 ( -6.865 0.000 0.041) 6.865 18.447 ( 2.676 0.000 2.619) 3.744 18.469 ( -6.732 0.000 13.607) 15.181 18.822 ( -1.998 0.000 -4.081) 4.544 19.775 ( -4.598 0.000 15.508) 16.176 21.215 ( 4.188 0.000 -32.061) 32.334 22.784 ( -10.410 0.000 27.903) 29.782 24.250 ( -0.026 0.000 5.703) 5.704 24.453 ( 0.303 0.000 -21.399) 21.401 25.116 ( 4.438 0.000 -18.398) 18.925 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -2.913 0.000 23.381) 23.562 1.588 ( -11.036 0.000 6.220) 12.668 2.175 ( -3.463 0.000 13.342) 13.784 2.476 ( 6.552 0.000 15.978) 17.269 2.542 ( -7.566 0.000 -8.462) 11.351 2.551 ( -4.160 0.000 10.897) 11.664 2.592 ( -3.690 0.000 -4.006) 5.447 2.924 ( -6.724 0.000 -0.944) 6.790 3.059 ( -17.600 0.000 11.291) 20.910 3.171 ( 7.199 0.000 4.597) 8.542 3.313 ( -2.768 0.000 -6.610) 7.166 3.755 ( 6.770 0.000 10.640) 12.611 3.973 ( -2.976 0.000 23.645) 23.831 4.228 ( -3.359 0.000 15.651) 16.007 4.254 ( 1.567 0.000 6.784) 6.963 4.358 ( 6.695 0.000 -4.648) 8.150 4.406 ( 5.258 0.000 -1.960) 5.611 4.911 ( -3.237 0.000 9.876) 10.393 4.956 ( 3.270 0.000 -15.727) 16.064 5.191 ( -0.340 0.000 -5.975) 5.984 5.305 ( -0.394 0.000 -8.397) 8.406 5.430 ( -0.703 0.000 -13.109) 13.128 5.450 ( 6.667 0.000 5.721) 8.785 5.746 ( -3.787 0.000 -14.998) 15.469 6.583 ( -11.083 0.000 8.283) 13.836 6.694 ( -4.956 0.000 22.914) 23.443 7.000 ( -5.966 0.000 -1.430) 6.135 7.332 ( 0.380 0.000 7.294) 7.304 7.674 ( 5.086 0.000 2.519) 5.675 7.706 ( 2.098 0.000 -8.482) 8.737 8.039 ( 0.204 0.000 -6.200) 6.203 8.055 ( -0.106 0.000 -8.454) 8.455 8.293 ( 1.158 0.000 1.572) 1.952 8.480 ( 0.375 0.000 -0.944) 1.016 9.039 ( 5.809 0.000 15.746) 16.783 9.235 ( -8.592 0.000 -8.585) 12.146 9.337 ( 5.584 0.000 -7.868) 9.648 9.482 ( 0.183 0.000 11.632) 11.634 9.624 ( -0.704 0.000 -3.481) 3.552 9.775 ( -3.913 0.000 -3.189) 5.048 9.984 ( -2.962 0.000 -10.139) 10.562 10.272 ( 5.937 0.000 -7.200) 9.332 11.003 ( 8.741 0.000 20.485) 22.272 11.125 ( -7.196 0.000 4.704) 8.597 11.344 ( 10.506 0.000 -2.345) 10.765 11.937 ( 3.264 0.000 -1.764) 3.710 11.957 ( 2.424 0.000 12.913) 13.139 12.287 ( -7.468 0.000 -8.645) 11.424 12.699 ( 0.067 0.000 -2.559) 2.560 12.881 ( 4.920 0.000 -2.795) 5.658 13.299 ( -3.164 0.000 8.208) 8.797 13.704 ( 7.020 0.000 0.136) 7.021 14.042 ( -2.621 0.000 5.063) 5.701 14.426 ( 6.619 0.000 -7.824) 10.248 14.721 ( -15.666 0.000 11.496) 19.431 15.371 ( -3.485 0.000 -6.714) 7.564 15.739 ( 3.818 0.000 4.153) 5.641 16.071 ( -5.920 0.000 -9.553) 11.238 16.400 ( -9.300 0.000 -14.663) 17.364 16.452 ( 12.868 0.000 -2.383) 13.086 17.309 ( 8.730 0.000 27.186) 28.554 18.088 ( -11.171 0.000 -1.238) 11.240 18.444 ( 8.002 0.000 7.280) 10.818 18.467 ( 1.904 0.000 12.046) 12.196 18.563 ( 7.165 0.000 0.957) 7.228 18.736 ( -4.082 0.000 -3.664) 5.486 19.690 ( -9.297 0.000 14.671) 17.369 21.166 ( 1.186 0.000 -29.599) 29.623 22.726 ( -5.452 0.000 29.892) 30.386 24.253 ( -1.570 0.000 5.200) 5.432 24.410 ( 2.839 0.000 -22.012) 22.195 25.134 ( 3.640 0.000 -18.085) 18.448 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -5.728 0.000 27.718) 28.303 1.288 ( -21.623 0.000 2.773) 21.800 2.080 ( -10.688 0.000 6.970) 12.760 2.294 ( -9.524 0.000 -3.652) 10.200 2.473 ( -13.646 0.000 39.874) 42.144 2.577 ( -4.782 0.000 18.829) 19.427 2.654 ( 6.872 0.000 -3.983) 7.943 2.730 ( -6.827 0.000 3.173) 7.529 2.916 ( 1.038 0.000 -6.442) 6.525 3.325 ( 5.909 0.000 2.693) 6.494 3.380 ( 10.278 0.000 -5.626) 11.717 3.817 ( -1.814 0.000 2.625) 3.191 4.015 ( -0.311 0.000 19.199) 19.202 4.162 ( -8.553 0.000 17.429) 19.415 4.321 ( 2.488 0.000 7.568) 7.966 4.379 ( -0.737 0.000 -0.729) 1.037 4.518 ( 5.686 0.000 -6.223) 8.430 4.838 ( -7.232 0.000 6.829) 9.947 4.927 ( -1.127 0.000 -16.383) 16.422 5.175 ( 1.442 0.000 -7.669) 7.803 5.242 ( -3.242 0.000 -2.505) 4.097 5.411 ( 2.363 0.000 -13.575) 13.779 5.575 ( 3.890 0.000 5.225) 6.514 5.629 ( -2.944 0.000 -14.999) 15.285 6.438 ( -6.186 0.000 9.397) 11.250 6.738 ( 1.185 0.000 23.367) 23.397 6.819 ( -10.850 0.000 -0.991) 10.895 7.363 ( -0.931 0.000 5.262) 5.344 7.743 ( 5.374 0.000 -6.408) 8.363 7.802 ( 6.913 0.000 3.851) 7.914 8.007 ( -2.233 0.000 -1.075) 2.479 8.046 ( 2.719 0.000 -8.088) 8.533 8.340 ( 2.711 0.000 1.856) 3.285 8.506 ( 1.904 0.000 -5.283) 5.616 8.979 ( -7.792 0.000 4.785) 9.144 9.337 ( 8.992 0.000 11.632) 14.702 9.429 ( 6.224 0.000 -6.533) 9.023 9.552 ( 6.719 0.000 13.871) 15.413 9.598 ( -1.414 0.000 0.357) 1.458 9.733 ( 1.035 0.000 -6.112) 6.199 9.942 ( 0.745 0.000 -8.094) 8.129 10.378 ( 8.938 0.000 -12.912) 15.704 10.916 ( -9.536 0.000 1.590) 9.668 11.287 ( 8.685 0.000 17.930) 19.923 11.529 ( 9.294 0.000 -0.438) 9.304 11.981 ( 2.113 0.000 -11.723) 11.912 11.994 ( -3.112 0.000 11.451) 11.867 12.098 ( -10.615 0.000 1.348) 10.700 12.666 ( -1.486 0.000 -5.463) 5.661 12.967 ( 4.885 0.000 -2.512) 5.493 13.282 ( -1.060 0.000 5.565) 5.665 13.783 ( 0.938 0.000 -5.531) 5.610 13.989 ( -3.141 0.000 3.467) 4.678 14.348 ( -9.480 0.000 -8.894) 12.999 14.629 ( -0.963 0.000 9.976) 10.022 15.194 ( -11.818 0.000 -3.121) 12.223 15.841 ( 3.084 0.000 6.337) 7.048 16.080 ( 7.443 0.000 -5.900) 9.498 16.124 ( -12.283 0.000 -10.845) 16.386 16.630 ( 6.878 0.000 -4.373) 8.150 17.488 ( 0.779 0.000 20.135) 20.150 17.905 ( -6.398 0.000 -3.045) 7.085 18.440 ( -7.334 0.000 -4.582) 8.648 18.587 ( 3.922 0.000 3.873) 5.512 18.719 ( 8.644 0.000 3.697) 9.401 18.893 ( 21.550 0.000 11.894) 24.614 19.535 ( -11.616 0.000 15.661) 19.499 21.074 ( -1.181 0.000 -26.733) 26.759 22.785 ( 1.312 0.000 35.375) 35.400 24.220 ( -3.744 0.000 4.675) 5.989 24.421 ( 5.576 0.000 -20.752) 21.488 25.135 ( 2.669 0.000 -18.094) 18.290 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -15.636 0.000 12.820) 20.220 1.195 ( -3.069 0.000 31.403) 31.553 1.818 ( -15.400 0.000 -0.161) 15.401 2.227 ( 1.103 0.000 0.268) 1.135 2.306 ( -16.740 0.000 48.745) 51.539 2.485 ( -7.806 0.000 17.646) 19.295 2.724 ( 1.446 0.000 -1.986) 2.457 2.769 ( 4.981 0.000 0.027) 4.981 2.978 ( 6.688 0.000 -8.410) 10.746 3.381 ( 0.571 0.000 -2.332) 2.401 3.473 ( -4.765 0.000 -13.481) 14.298 3.862 ( 11.744 0.000 10.030) 15.444 4.047 ( -5.948 0.000 23.148) 23.900 4.092 ( -1.598 0.000 18.726) 18.794 4.376 ( 0.710 0.000 5.116) 5.165 4.400 ( 3.669 0.000 -0.445) 3.696 4.510 ( -4.832 0.000 -8.242) 9.554 4.700 ( -8.829 0.000 5.434) 10.368 4.846 ( -1.643 0.000 -13.959) 14.055 5.167 ( -1.347 0.000 -10.632) 10.717 5.214 ( 3.017 0.000 -3.126) 4.344 5.395 ( 0.124 0.000 -11.983) 11.983 5.573 ( 2.737 0.000 -11.149) 11.480 5.625 ( -0.736 0.000 8.032) 8.066 6.364 ( -4.115 0.000 1.988) 4.570 6.639 ( -6.815 0.000 -1.147) 6.911 6.918 ( 10.097 0.000 18.385) 20.976 7.339 ( -1.960 0.000 3.595) 4.095 7.862 ( 8.027 0.000 -3.667) 8.825 7.887 ( -0.070 0.000 0.267) 0.276 8.042 ( 5.668 0.000 5.679) 8.024 8.073 ( 2.327 0.000 -7.779) 8.119 8.381 ( 0.811 0.000 0.884) 1.200 8.458 ( -4.438 0.000 -6.912) 8.214 8.942 ( 1.547 0.000 5.969) 6.167 9.423 ( -2.025 0.000 21.350) 21.446 9.518 ( 4.654 0.000 -3.960) 6.110 9.581 ( -0.493 0.000 0.063) 0.497 9.713 ( -0.500 0.000 1.393) 1.480 9.926 ( -0.631 0.000 -4.935) 4.975 9.962 ( 25.359 0.000 1.995) 25.437 10.532 ( 12.159 0.000 -17.378) 21.209 10.790 ( -1.828 0.000 0.093) 1.831 11.466 ( 4.080 0.000 13.444) 14.050 11.651 ( 2.342 0.000 -3.618) 4.310 11.827 ( -10.855 0.000 -6.267) 12.534 11.895 ( -11.272 0.000 9.049) 14.455 12.031 ( 1.249 0.000 0.603) 1.387 12.659 ( 3.548 0.000 -4.023) 5.364 13.042 ( 3.610 0.000 -1.144) 3.787 13.264 ( -3.120 0.000 3.261) 4.513 13.692 ( -10.767 0.000 -10.122) 14.778 13.880 ( -34.474 0.000 -17.544) 38.681 13.947 ( -2.824 0.000 -3.121) 4.209 14.765 ( 12.179 0.000 15.430) 19.657 15.015 ( -4.720 0.000 3.709) 6.003 15.776 ( -4.883 0.000 -2.880) 5.669 16.088 ( 4.561 0.000 12.129) 12.958 16.186 ( 3.208 0.000 -6.799) 7.518 16.710 ( 4.404 0.000 -4.877) 6.571 17.484 ( -6.019 0.000 14.552) 15.747 17.848 ( 1.194 0.000 -1.989) 2.319 18.311 ( -2.616 0.000 -4.101) 4.864 18.587 ( -4.172 0.000 -2.660) 4.948 18.899 ( 7.301 0.000 6.335) 9.666 19.392 ( -7.825 0.000 18.580) 20.160 19.400 ( 23.135 0.000 -2.702) 23.292 20.972 ( 0.882 0.000 -24.903) 24.918 23.031 ( 11.591 0.000 38.650) 40.350 24.137 ( -6.718 0.000 5.560) 8.721 24.479 ( 6.875 0.000 -18.424) 19.665 25.119 ( 1.900 0.000 -18.441) 18.538 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 11.526 5.040 18.928) 22.727 1.370 ( -5.495 10.443 21.651) 24.658 1.717 ( -2.209 9.128 -1.505) 9.511 2.229 ( -12.370 0.457 14.265) 18.887 2.290 ( 0.565 2.696 3.302) 4.300 2.538 ( -0.611 7.536 32.793) 33.653 2.714 ( 1.507 4.035 5.644) 7.099 2.861 ( -0.444 3.046 3.286) 4.502 3.048 ( 2.590 0.634 -6.426) 6.958 3.331 ( 3.710 0.974 -3.808) 5.405 3.478 ( 0.229 5.966 -5.953) 8.432 3.828 ( -6.843 -10.785 15.216) 19.866 3.971 ( 1.552 -13.121 6.515) 14.731 4.093 ( 0.639 -9.252 8.322) 12.460 4.212 ( 2.946 -6.321 7.194) 10.020 4.395 ( -2.600 -3.722 0.255) 4.548 4.454 ( -7.815 -4.512 1.636) 9.171 4.582 ( -3.800 4.321 -1.631) 5.981 4.798 ( 3.988 0.815 -0.294) 4.081 5.115 ( -0.026 1.567 -10.487) 10.604 5.330 ( 4.303 5.002 -12.578) 14.204 5.433 ( 0.694 3.279 -7.066) 7.820 5.581 ( -2.283 2.489 3.828) 5.106 5.722 ( 4.489 3.291 -2.141) 5.964 6.337 ( -0.209 2.566 1.481) 2.970 6.561 ( 0.637 -1.149 -2.505) 2.829 7.069 ( 6.408 -5.755 12.198) 14.932 7.361 ( 1.874 -0.222 3.225) 3.737 7.864 ( -0.055 -1.956 -1.528) 2.482 7.990 ( -3.632 3.228 -1.961) 5.240 8.177 ( 5.811 13.032 -1.057) 14.308 8.235 ( -0.635 5.363 -5.249) 7.531 8.438 ( 2.878 2.959 -1.462) 4.380 8.446 ( -3.274 8.088 -3.005) 9.229 9.002 ( 1.628 -4.544 11.465) 12.439 9.343 ( -1.519 -6.268 10.315) 12.166 9.477 ( -5.205 0.655 7.246) 8.946 9.594 ( 4.161 0.283 -4.182) 5.906 9.729 ( -3.483 0.240 -0.938) 3.615 9.952 ( 1.116 3.639 4.589) 5.962 10.340 ( 0.201 4.907 -6.006) 7.758 10.543 ( 8.407 -10.730 -12.381) 18.415 11.007 ( 8.450 6.776 2.022) 11.019 11.421 ( -12.749 4.782 4.669) 14.395 11.507 ( -11.419 -2.035 -0.506) 11.610 11.675 ( -0.307 4.185 -1.792) 4.563 11.797 ( -9.105 4.470 6.117) 11.845 12.118 ( 6.495 -1.381 -1.436) 6.794 12.551 ( 3.408 -12.303 11.073) 16.899 12.816 ( -13.236 -3.470 -1.928) 13.818 13.088 ( 1.818 -2.021 -0.896) 2.862 13.280 ( -7.879 -4.752 -3.492) 9.841 13.988 ( 1.576 17.889 -2.526) 18.135 14.068 ( -13.370 24.103 -8.963) 28.984 15.025 ( 9.305 -3.998 7.171) 12.409 15.093 ( 13.150 1.251 1.898) 13.345 15.760 ( 2.602 -2.806 2.575) 4.612 16.021 ( -2.956 -5.790 -1.969) 6.793 16.251 ( -3.956 2.194 3.074) 5.469 16.680 ( 5.564 -9.155 -3.938) 11.414 17.373 ( -8.199 -1.607 11.523) 14.233 17.814 ( 2.992 -8.833 6.333) 11.273 18.295 ( 3.495 -4.291 -1.358) 5.698 18.437 ( -3.939 -0.440 -8.303) 9.200 18.936 ( -4.080 -1.536 8.572) 9.616 19.401 ( 4.234 -2.646 18.822) 19.473 19.514 ( -9.238 0.651 -9.944) 13.588 20.847 ( 13.856 -13.551 -26.019) 32.444 23.212 ( -1.427 -5.065 29.540) 30.005 24.025 ( -2.232 -3.246 9.066) 9.885 24.603 ( 6.361 3.532 -19.155) 20.490 25.066 ( 2.018 -2.502 -19.672) 19.933 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -4.242 12.964 12.450) 18.468 1.416 ( 22.672 1.239 15.597) 27.547 1.783 ( 5.610 7.857 7.070) 11.966 2.070 ( -7.704 7.026 13.796) 17.293 2.337 ( 2.503 -1.152 5.201) 5.886 2.589 ( -0.887 -3.054 3.117) 4.453 2.808 ( -0.609 3.169 19.586) 19.850 2.862 ( 4.366 2.865 1.646) 5.476 3.080 ( 2.854 4.922 1.243) 5.824 3.407 ( 2.041 -0.828 -0.741) 2.324 3.505 ( 3.176 5.045 -4.682) 7.580 3.730 ( -6.985 -7.331 16.407) 19.280 4.003 ( -0.630 -12.689 6.308) 14.184 4.047 ( -2.842 -8.646 -2.314) 9.391 4.155 ( -9.125 -4.600 6.055) 11.879 4.299 ( -6.564 1.103 4.341) 7.947 4.476 ( -4.912 5.668 0.241) 7.505 4.532 ( 9.168 -7.775 6.226) 13.538 4.963 ( 9.370 3.600 0.898) 10.078 5.090 ( 1.523 2.849 -11.315) 11.767 5.333 ( -1.012 0.786 -6.007) 6.142 5.417 ( 2.154 3.042 -14.076) 14.561 5.556 ( -0.893 7.248 1.741) 7.508 5.823 ( 5.791 -1.505 -3.743) 7.058 6.398 ( 4.777 3.027 5.673) 8.010 6.631 ( 7.462 -1.117 -3.046) 8.136 7.217 ( 5.095 -6.456 8.831) 12.068 7.402 ( 0.500 -1.181 3.436) 3.668 7.791 ( -8.283 -4.237 -2.601) 9.660 7.885 ( -4.674 5.947 -2.479) 7.959 8.144 ( -4.572 7.395 -9.219) 12.672 8.268 ( 3.414 12.798 0.485) 13.255 8.355 ( -4.093 6.185 -2.719) 7.900 8.520 ( 4.325 4.104 -3.014) 6.681 9.058 ( -2.973 -6.852 16.163) 17.806 9.279 ( -5.056 1.304 5.102) 7.300 9.404 ( -2.708 -1.255 3.180) 4.361 9.647 ( -0.883 -0.985 0.046) 1.324 9.698 ( 2.659 -4.286 -3.531) 6.157 10.042 ( 6.059 3.240 6.925) 9.755 10.208 ( -10.159 1.688 -3.056) 10.742 10.624 ( 2.026 -5.828 -12.234) 13.702 10.775 ( -20.467 17.327 6.869) 27.682 11.176 ( -16.703 2.938 -6.563) 18.185 11.462 ( 8.911 2.067 11.154) 14.426 11.641 ( -6.569 1.895 5.090) 8.523 11.804 ( 4.436 4.700 2.986) 7.119 12.243 ( 7.650 -6.585 -1.334) 10.182 12.558 ( -2.391 -5.871 2.847) 6.949 12.927 ( 12.362 -1.728 1.579) 12.582 13.077 ( 2.473 -9.249 3.515) 10.199 13.231 ( 2.518 -2.103 -0.106) 3.283 13.801 ( -11.080 15.269 -1.842) 18.955 14.050 ( 5.093 16.424 -0.860) 17.217 15.225 ( 4.617 0.813 -2.486) 5.306 15.344 ( 17.248 0.247 3.004) 17.509 15.690 ( -10.955 -12.859 -4.104) 17.384 16.074 ( 9.583 2.869 -2.598) 10.335 16.110 ( -10.627 -4.640 6.657) 13.371 16.752 ( 2.077 -4.415 -5.259) 7.174 17.248 ( -8.823 -0.081 10.342) 13.595 17.896 ( 1.995 -10.057 9.349) 13.876 18.239 ( -1.613 -4.758 -8.500) 9.874 18.518 ( 8.147 -0.322 -0.351) 8.161 18.817 ( -10.362 -0.807 8.711) 13.561 19.168 ( -19.803 1.647 -1.030) 19.898 19.584 ( 6.459 -2.869 16.773) 18.201 21.039 ( 14.140 -9.063 -32.519) 36.600 23.140 ( -13.535 -1.856 26.737) 30.025 24.071 ( 2.760 -5.507 7.994) 10.092 24.617 ( 1.498 3.047 -18.264) 18.577 25.058 ( 3.919 -1.919 -19.968) 20.439 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.264 17.072 11.709) 20.703 1.812 ( 3.857 9.486 15.320) 18.427 1.915 ( 12.694 -1.038 11.397) 17.091 2.090 ( 6.268 8.735 7.941) 13.366 2.418 ( 4.533 -4.726 5.212) 8.369 2.570 ( -0.311 -3.294 -4.070) 5.246 2.740 ( -7.409 -5.542 4.999) 10.517 2.987 ( 5.024 -5.979 -14.699) 16.645 3.222 ( 8.047 7.288 28.054) 30.081 3.343 ( -8.288 1.495 0.376) 8.431 3.458 ( -6.853 -0.710 -0.310) 6.897 3.742 ( 0.649 -0.489 12.462) 12.488 3.964 ( -7.528 -6.574 12.207) 15.776 4.023 ( -3.292 -5.169 4.839) 7.809 4.041 ( 1.060 -5.449 2.861) 6.245 4.249 ( 0.219 0.393 3.771) 3.798 4.433 ( 0.503 9.246 1.355) 9.358 4.692 ( 6.326 -5.446 1.460) 8.474 5.042 ( 0.397 3.794 -1.459) 4.084 5.154 ( 6.305 3.955 -6.229) 9.705 5.287 ( -1.086 -1.289 0.191) 1.696 5.430 ( 2.874 6.986 -13.170) 15.183 5.552 ( 0.587 5.430 -5.441) 7.709 5.877 ( 1.561 -2.317 -7.660) 8.153 6.525 ( 5.376 3.347 10.046) 11.875 6.800 ( 10.536 -1.482 -2.932) 11.036 7.246 ( -8.966 -1.466 10.528) 13.906 7.392 ( -2.515 -1.626 6.594) 7.242 7.622 ( -4.732 -0.073 -1.598) 4.995 7.786 ( -4.584 1.791 -5.666) 7.505 8.056 ( -1.147 1.957 -10.538) 10.780 8.271 ( -3.010 4.244 -3.582) 6.317 8.307 ( 0.085 14.419 1.513) 14.498 8.581 ( 3.525 5.038 -5.327) 8.135 8.982 ( -7.121 2.344 15.648) 17.351 9.274 ( 0.880 -3.071 -0.484) 3.231 9.381 ( -0.183 3.133 3.138) 4.438 9.581 ( -4.463 -5.283 5.990) 9.149 9.780 ( 4.360 0.755 -6.556) 7.910 9.922 ( -11.914 -0.300 -5.832) 13.268 10.227 ( 2.238 0.311 6.110) 6.515 10.485 ( -8.990 3.892 -14.226) 17.273 10.582 ( -2.647 12.981 12.429) 18.166 11.022 ( 2.896 0.270 -5.745) 6.439 11.467 ( -8.813 2.849 6.676) 11.417 11.694 ( 6.500 0.958 13.395) 14.920 11.860 ( 0.739 2.270 2.553) 3.495 12.382 ( 7.167 -7.764 -3.389) 11.096 12.529 ( -1.754 -7.832 -1.841) 8.235 12.864 ( -6.560 -0.532 -1.084) 6.670 13.307 ( 3.554 -1.080 4.218) 5.620 13.452 ( 19.573 -5.071 8.686) 22.006 13.661 ( -0.881 5.015 -0.253) 5.098 14.174 ( 7.556 9.432 -0.951) 12.122 15.205 ( -7.261 0.374 2.041) 7.551 15.444 ( -9.854 -13.039 -9.698) 19.005 15.708 ( 16.919 0.806 4.430) 17.508 15.879 ( -7.100 -3.272 -5.273) 9.429 16.324 ( 11.522 -0.310 3.675) 12.098 16.687 ( -6.822 1.099 -7.551) 10.236 17.119 ( -7.664 0.630 12.140) 14.370 17.952 ( 1.700 -9.614 11.238) 14.887 18.268 ( 5.998 -5.337 -6.338) 10.228 18.602 ( -3.838 -0.458 3.879) 5.476 18.617 ( -11.283 0.783 7.768) 13.721 18.888 ( -7.180 1.683 -1.812) 7.594 19.718 ( 1.630 -3.235 16.005) 16.410 21.148 ( 8.713 -6.150 -32.865) 34.552 22.959 ( -13.439 2.102 26.328) 29.634 24.141 ( 1.920 -6.131 6.143) 8.890 24.557 ( -0.958 2.215 -19.039) 19.192 25.080 ( 4.969 -1.088 -19.531) 20.183 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.593 18.453 13.602) 22.932 1.797 ( -5.394 9.519 13.759) 17.579 2.190 ( 5.490 4.046 10.041) 12.138 2.279 ( 10.174 2.944 12.321) 16.248 2.513 ( -1.692 -9.019 2.699) 9.566 2.567 ( 4.087 -3.978 -1.412) 5.876 2.601 ( -4.181 -3.888 -3.722) 6.816 3.001 ( 2.437 -4.453 -13.885) 14.784 3.149 ( -10.512 0.318 4.481) 11.432 3.278 ( -9.849 -1.163 -1.190) 9.989 3.509 ( 10.451 1.684 21.433) 23.905 3.640 ( -15.020 8.792 8.240) 19.256 3.907 ( -3.218 -5.158 22.955) 23.747 4.065 ( 2.796 -8.617 6.843) 11.354 4.091 ( 2.966 -1.804 7.246) 8.035 4.301 ( 3.324 -1.699 2.000) 4.235 4.490 ( 3.875 9.201 0.778) 10.014 4.798 ( 6.060 -2.216 -4.922) 8.115 5.041 ( -0.614 4.727 -0.499) 4.793 5.185 ( -1.146 -0.704 -2.344) 2.703 5.327 ( 3.716 0.797 3.364) 5.075 5.431 ( 1.529 9.397 -10.700) 14.322 5.533 ( 0.569 3.897 -10.478) 11.194 5.835 ( -2.209 -1.986 -12.858) 13.197 6.643 ( 2.608 4.248 12.010) 13.003 6.963 ( 4.514 -1.837 -1.340) 5.054 6.989 ( -16.451 4.265 11.972) 20.788 7.341 ( -4.684 -2.046 8.978) 10.331 7.636 ( 4.075 1.724 1.175) 4.578 7.702 ( -1.828 0.740 -6.922) 7.198 8.016 ( 0.126 -3.700 -9.534) 10.227 8.222 ( -0.566 8.356 -6.933) 10.873 8.303 ( -0.488 9.267 3.025) 9.760 8.599 ( -0.467 5.965 -5.119) 7.874 8.959 ( 0.050 5.176 12.064) 13.127 9.286 ( 2.351 -0.095 -3.036) 3.842 9.415 ( 2.037 -0.124 0.016) 2.041 9.520 ( -5.842 1.371 7.514) 9.616 9.653 ( -9.490 1.520 -2.131) 9.845 9.862 ( 2.662 -0.576 -6.587) 7.128 10.104 ( -7.751 -2.063 -8.629) 11.781 10.361 ( -2.489 12.850 -8.356) 15.529 10.745 ( 11.387 2.086 14.818) 18.803 11.143 ( 7.610 0.087 1.724) 7.803 11.321 ( -7.129 2.940 2.960) 8.260 11.833 ( 3.218 -0.346 10.186) 10.688 11.875 ( 1.024 -1.286 5.681) 5.914 12.419 ( -3.861 -1.177 -7.954) 8.919 12.511 ( 2.965 -13.278 1.218) 13.659 12.801 ( 0.480 -3.554 -2.724) 4.504 13.335 ( -3.239 1.101 8.957) 9.588 13.623 ( 5.700 5.564 1.389) 8.086 13.892 ( 13.532 -7.093 5.626) 16.282 14.303 ( 6.874 3.446 -3.764) 8.561 14.946 ( -19.208 -8.436 5.796) 21.765 15.297 ( -2.812 -9.213 -8.295) 12.712 15.767 ( 1.525 2.092 1.798) 3.152 16.090 ( 14.719 0.553 -5.366) 15.676 16.362 ( -8.666 -1.098 -5.729) 10.446 16.573 ( -0.028 4.512 -7.468) 8.726 17.100 ( 1.624 0.353 22.422) 22.484 18.059 ( 5.098 -10.727 13.961) 18.329 18.319 ( -10.763 -2.143 -1.552) 11.083 18.404 ( 2.005 -3.472 4.639) 6.131 18.575 ( -1.189 4.025 3.170) 5.260 18.821 ( -1.909 0.224 -4.954) 5.314 19.742 ( -4.282 -3.024 14.937) 15.830 21.164 ( 4.138 -5.306 -31.437) 32.149 22.827 ( -9.225 4.111 26.323) 28.194 24.183 ( 0.605 -5.697 5.104) 7.673 24.478 ( -0.282 1.790 -20.303) 20.384 25.110 ( 4.566 -0.813 -19.051) 19.607 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -3.455 16.483 15.624) 22.972 1.690 ( -11.116 10.011 6.841) 16.449 2.184 ( -6.921 -3.199 14.402) 16.296 2.454 ( -3.113 -2.377 7.772) 8.704 2.466 ( 1.987 -1.534 8.651) 9.008 2.564 ( -0.327 -2.245 2.916) 3.694 2.626 ( 1.912 6.329 -9.408) 11.499 2.970 ( -2.476 0.264 -2.486) 3.519 3.059 ( -5.567 -1.479 7.823) 9.715 3.132 ( -0.968 -1.371 0.988) 1.947 3.372 ( -10.119 7.843 1.908) 12.944 3.742 ( 7.137 0.073 13.063) 14.886 3.922 ( -2.799 -4.319 21.110) 21.728 4.115 ( -1.616 -6.377 9.756) 11.767 4.162 ( 1.078 -6.593 6.120) 9.060 4.376 ( 3.607 -1.269 3.044) 4.887 4.546 ( 1.984 4.674 -0.393) 5.092 4.886 ( 2.941 3.112 -3.502) 5.531 4.984 ( -3.163 3.294 -7.436) 8.727 5.143 ( -2.618 -6.042 2.935) 7.210 5.348 ( -2.797 2.793 -2.375) 4.612 5.477 ( 6.091 6.523 -1.459) 9.043 5.530 ( 2.866 6.496 -13.637) 15.374 5.729 ( -3.511 -1.871 -14.609) 15.141 6.632 ( -8.876 3.805 6.800) 11.812 6.778 ( -6.219 7.743 21.384) 23.578 6.977 ( -5.236 -2.166 -0.535) 5.691 7.339 ( 1.815 0.533 7.585) 7.817 7.665 ( 0.002 -2.258 -5.860) 6.280 7.737 ( 5.546 4.311 3.272) 7.749 8.011 ( 2.551 -4.367 -6.880) 8.539 8.187 ( -0.511 11.548 -8.312) 14.238 8.336 ( 3.033 5.983 0.802) 6.756 8.540 ( -3.290 5.483 -1.788) 6.640 9.027 ( 2.691 -2.129 5.651) 6.611 9.309 ( -6.275 5.396 -5.568) 9.975 9.388 ( 3.954 6.449 4.026) 8.570 9.491 ( 1.229 -0.198 4.901) 5.056 9.552 ( -3.031 -2.500 6.129) 7.280 9.884 ( 1.806 6.489 -6.556) 9.399 10.005 ( 0.117 2.529 -9.564) 9.894 10.320 ( 1.825 5.350 -9.520) 11.072 11.002 ( 9.713 -1.322 12.599) 15.963 11.102 ( -8.882 -1.387 2.023) 9.215 11.392 ( 9.839 4.372 3.294) 11.259 11.877 ( 1.995 -4.762 0.696) 5.210 11.957 ( 1.769 -0.471 13.253) 13.379 12.302 ( -5.598 1.511 -5.255) 7.825 12.558 ( 1.281 -11.951 -2.691) 12.317 12.831 ( 3.708 -5.182 -4.833) 7.998 13.288 ( -3.837 -0.468 9.717) 10.458 13.728 ( 2.975 1.920 0.858) 3.643 14.050 ( 2.900 0.993 4.099) 5.119 14.395 ( 0.731 -4.238 -6.913) 8.141 14.647 ( -9.210 -6.194 9.326) 14.497 15.290 ( 3.386 -7.274 -5.320) 9.627 15.787 ( -6.574 3.696 0.168) 7.543 16.050 ( -1.657 -0.932 -3.678) 4.141 16.392 ( 0.182 0.210 -8.162) 8.166 16.501 ( 1.706 3.434 -8.141) 8.999 17.298 ( 7.891 -1.304 26.217) 27.410 18.054 ( -13.595 -5.127 4.671) 15.262 18.235 ( 8.054 -7.266 11.181) 15.578 18.523 ( 6.012 -3.601 1.281) 7.124 18.585 ( 0.282 0.399 -1.370) 1.454 18.781 ( 2.152 4.771 -2.841) 5.955 19.661 ( -9.023 -2.642 14.496) 17.278 21.106 ( 0.123 -5.981 -29.484) 30.084 22.785 ( -4.404 5.443 27.831) 28.698 24.196 ( -1.070 -5.108 5.262) 7.411 24.429 ( 2.501 1.608 -21.280) 21.487 25.126 ( 3.536 -1.051 -18.909) 19.265 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -14.239 9.647 8.593) 19.227 1.432 ( -12.914 13.030 14.470) 23.365 2.098 ( -8.630 1.629 9.064) 12.621 2.332 ( -7.017 2.260 -0.241) 7.376 2.437 ( -5.279 -4.537 16.064) 17.507 2.604 ( -2.367 1.979 15.874) 16.171 2.671 ( 2.417 3.911 -1.305) 4.779 2.866 ( -11.678 11.229 14.646) 21.840 2.937 ( 0.612 4.727 -2.841) 5.548 3.243 ( 7.845 -5.824 2.200) 10.016 3.379 ( 8.271 -1.566 -7.974) 11.596 3.832 ( -1.194 1.477 7.028) 7.280 3.954 ( -0.882 -6.692 17.169) 18.448 4.031 ( -8.356 -5.701 8.262) 13.061 4.185 ( -0.242 -12.577 5.114) 13.579 4.420 ( -0.991 -1.066 6.591) 6.750 4.588 ( 2.889 1.765 -2.728) 4.348 4.790 ( -8.953 2.284 1.413) 9.348 4.960 ( 0.488 3.105 -14.134) 14.479 5.122 ( -0.478 -6.631 5.796) 8.820 5.276 ( -2.201 4.024 -6.937) 8.316 5.514 ( 0.243 6.396 -13.892) 15.296 5.588 ( 4.412 3.782 2.966) 6.524 5.644 ( -0.689 1.444 -11.487) 11.598 6.493 ( -6.912 4.399 6.253) 10.307 6.766 ( -4.959 1.167 9.956) 11.184 6.839 ( -5.834 3.081 10.972) 12.803 7.374 ( -1.901 0.653 5.423) 5.784 7.698 ( 5.929 -1.983 -3.008) 6.937 7.864 ( 6.477 4.462 4.346) 8.986 8.057 ( 2.853 0.884 -3.592) 4.672 8.163 ( 1.644 10.146 -9.052) 13.697 8.378 ( 0.631 5.789 1.157) 5.937 8.523 ( 2.301 2.101 -3.476) 4.668 9.022 ( -5.191 -1.092 5.833) 7.884 9.244 ( 2.789 0.702 -2.928) 4.104 9.459 ( -0.833 0.375 10.476) 10.516 9.531 ( 1.375 -1.983 -1.577) 2.882 9.625 ( 8.281 4.890 14.741) 17.601 9.903 ( 3.108 9.812 -5.235) 11.547 10.012 ( 2.973 7.376 -9.081) 12.071 10.372 ( 7.558 0.167 -14.095) 15.994 10.908 ( -9.125 -0.749 0.032) 9.156 11.232 ( 8.738 -4.726 10.935) 14.774 11.577 ( 7.910 3.487 3.645) 9.381 11.923 ( 2.415 -4.092 -4.828) 6.774 11.974 ( -4.621 -1.704 10.125) 11.259 12.159 ( -8.402 4.373 0.847) 9.509 12.540 ( -1.563 -8.980 -3.946) 9.932 12.913 ( 6.013 -5.259 -3.724) 8.814 13.262 ( -2.585 -1.293 6.202) 6.843 13.734 ( -0.725 -3.880 3.256) 5.117 13.995 ( -11.002 -2.249 -7.768) 13.654 14.366 ( 5.950 2.348 0.568) 6.422 14.671 ( 1.892 3.545 4.801) 6.261 15.244 ( -10.683 4.696 -2.292) 11.893 15.663 ( 1.624 -13.642 0.565) 13.750 16.153 ( 1.162 4.049 -5.567) 6.982 16.176 ( -5.663 4.567 -4.212) 8.406 16.589 ( 3.651 -3.566 -3.894) 6.419 17.469 ( 1.329 -2.298 19.548) 19.727 17.850 ( -8.478 -4.797 2.987) 10.189 18.348 ( -3.537 -6.972 -0.281) 7.823 18.543 ( 3.678 -2.929 1.176) 4.847 18.700 ( 8.581 -1.793 3.210) 9.335 18.973 ( 18.244 5.000 2.774) 19.119 19.514 ( -10.865 -1.754 15.424) 18.948 20.978 ( -4.006 -8.635 -26.505) 28.162 22.847 ( 1.136 5.670 31.477) 32.003 24.169 ( -3.837 -4.722 6.011) 8.553 24.443 ( 6.299 1.941 -21.266) 22.264 25.121 ( 2.449 -1.596 -19.015) 19.239 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -15.109 8.567 11.251) 20.694 1.371 ( -4.180 13.212 24.460) 28.112 1.884 ( -12.449 5.788 -2.195) 13.904 2.276 ( -0.638 4.293 0.946) 4.442 2.394 ( -6.679 -7.941 16.117) 19.168 2.516 ( -11.990 15.958 38.309) 43.197 2.677 ( 0.934 0.229 1.282) 1.602 2.839 ( 1.882 5.738 2.473) 6.526 2.992 ( 4.713 1.944 -3.472) 6.169 3.328 ( 0.591 -2.550 -4.654) 5.340 3.495 ( 3.340 -0.270 -8.138) 8.801 3.839 ( 3.942 -2.557 5.502) 7.236 3.904 ( -4.940 -11.910 14.514) 19.414 4.016 ( -0.765 -3.674 16.694) 17.110 4.189 ( -0.625 -13.689 3.162) 14.064 4.425 ( -0.495 -4.105 7.153) 8.262 4.580 ( -3.314 0.289 -4.441) 5.549 4.641 ( -6.002 2.452 0.064) 6.484 4.867 ( -5.486 0.300 -8.058) 9.753 5.144 ( 0.155 -2.088 -2.234) 3.062 5.259 ( 4.152 4.950 -6.990) 9.518 5.463 ( -0.768 4.525 -11.349) 12.242 5.609 ( -0.367 2.921 -6.578) 7.207 5.664 ( 2.467 4.838 3.838) 6.650 6.392 ( -5.147 2.833 1.431) 6.047 6.625 ( -6.425 -1.413 -1.980) 6.870 6.913 ( 4.301 0.633 18.759) 19.257 7.342 ( -1.624 -0.202 4.606) 4.888 7.819 ( 5.509 -0.557 -1.207) 5.667 7.987 ( 4.149 2.012 1.857) 4.971 8.086 ( 3.092 9.864 -2.352) 10.602 8.202 ( 4.145 6.125 -5.580) 9.265 8.394 ( 1.140 2.625 0.345) 2.883 8.528 ( -1.657 6.228 -4.516) 7.869 8.968 ( -1.754 0.105 7.865) 8.059 9.306 ( 2.294 -6.623 4.402) 8.277 9.481 ( -0.618 0.092 13.755) 13.769 9.553 ( 1.916 -0.290 -3.710) 4.185 9.782 ( 0.901 3.550 5.239) 6.393 9.942 ( -0.146 2.376 -1.118) 2.630 10.144 ( 15.871 9.893 -1.811) 18.790 10.483 ( 6.818 -2.164 -16.279) 17.782 10.816 ( 3.088 1.953 -1.930) 4.132 11.403 ( 5.562 -4.948 9.176) 11.816 11.688 ( 2.113 1.727 1.325) 3.033 11.773 ( -12.668 -1.337 -3.782) 13.288 11.994 ( -3.336 3.439 0.062) 4.792 12.017 ( -2.903 1.386 7.665) 8.313 12.503 ( -0.640 -8.968 0.256) 8.994 13.005 ( 3.671 -3.557 -1.715) 5.392 13.161 ( -10.806 -3.653 1.548) 11.511 13.573 ( -19.225 -14.193 -7.118) 24.934 13.900 ( 7.125 10.258 -2.509) 12.739 14.369 ( -9.763 23.119 -17.710) 30.715 14.788 ( 11.941 1.915 14.155) 18.618 15.015 ( -9.067 0.487 3.622) 9.776 15.728 ( 1.089 -6.347 -0.553) 6.463 16.016 ( 0.939 -1.741 -0.246) 1.993 16.271 ( 1.527 4.138 1.897) 4.802 16.616 ( 2.147 -8.351 -3.792) 9.420 17.473 ( -5.955 -2.007 13.841) 15.201 17.773 ( -1.005 -6.392 4.160) 7.693 18.256 ( -1.375 -4.383 -4.032) 6.112 18.561 ( -3.362 -2.097 -3.549) 5.319 18.876 ( 7.203 -1.968 6.005) 9.583 19.338 ( 2.157 -4.092 14.352) 15.079 19.447 ( 11.811 3.156 -1.023) 12.268 20.815 ( -2.655 -12.951 -22.084) 25.739 23.031 ( 6.368 1.359 34.040) 34.657 24.093 ( -6.131 -4.003 7.139) 10.226 24.520 ( 8.401 2.884 -20.221) 22.086 25.097 ( 1.664 -2.209 -19.274) 19.472 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 4.291 11.686 11.833) 17.175 1.605 ( -3.094 11.911 8.575) 14.999 1.886 ( -0.104 6.456 1.252) 6.577 2.207 ( -5.537 -0.080 11.963) 13.182 2.341 ( -0.619 2.270 1.621) 2.857 2.567 ( -0.548 -1.557 2.142) 2.704 2.874 ( -1.978 -2.440 0.211) 3.148 2.949 ( -1.490 5.716 6.122) 8.507 3.243 ( -1.494 19.236 19.679) 27.559 3.347 ( 1.170 2.459 1.275) 3.007 3.555 ( 1.096 -15.173 6.065) 16.376 3.593 ( 2.824 2.154 -3.057) 4.686 3.648 ( -0.628 -12.612 0.738) 12.649 3.948 ( -3.146 -4.760 6.880) 8.938 4.139 ( 2.301 -1.231 9.823) 10.164 4.214 ( -1.091 -6.482 8.820) 11.000 4.413 ( -4.569 -6.874 -0.190) 8.256 4.613 ( -5.335 2.430 -1.979) 6.187 4.821 ( 5.337 1.074 3.929) 6.714 5.168 ( -1.340 3.363 -7.312) 8.159 5.443 ( 2.312 5.877 -6.923) 9.371 5.484 ( 1.152 2.347 -5.892) 6.445 5.684 ( 0.731 5.939 -4.064) 7.234 5.808 ( 0.018 4.915 -2.203) 5.386 6.414 ( 0.634 3.900 2.617) 4.739 6.545 ( 1.309 -0.226 -2.471) 2.805 6.997 ( 1.439 -1.449 13.543) 13.697 7.308 ( 0.180 -4.648 6.827) 8.261 7.847 ( -1.962 0.800 -0.953) 2.324 8.083 ( -1.169 3.338 -4.883) 6.029 8.297 ( 2.284 4.340 3.216) 5.865 8.374 ( 4.285 -0.591 -0.130) 4.327 8.557 ( 2.384 12.279 -3.210) 12.914 8.632 ( -2.900 7.987 -7.228) 11.155 8.876 ( -1.511 -4.584 15.811) 16.531 9.341 ( 0.187 4.160 5.879) 7.205 9.484 ( -4.546 -1.232 2.906) 5.534 9.623 ( 4.438 2.203 -4.381) 6.614 9.740 ( -7.226 1.821 1.115) 7.535 10.022 ( 1.178 3.162 11.824) 12.296 10.297 ( 4.382 -12.514 -9.591) 16.364 10.436 ( -3.740 4.319 -0.740) 5.761 11.137 ( 10.400 6.142 2.560) 12.347 11.465 ( 3.424 0.784 5.184) 6.262 11.556 ( -8.527 6.138 -2.320) 10.760 11.783 ( 2.418 3.070 2.502) 4.640 11.912 ( -15.992 8.580 0.072) 18.148 12.118 ( 3.765 2.163 -3.257) 5.428 12.433 ( 5.578 -1.052 7.541) 9.438 12.770 ( -13.481 -1.213 -3.458) 13.970 13.017 ( 2.447 -5.030 -0.610) 5.627 13.160 ( -3.559 -5.568 -1.462) 6.768 14.302 ( 0.053 14.172 0.658) 14.187 14.534 ( -13.836 17.757 -6.240) 23.360 14.929 ( 8.988 -4.703 8.349) 13.138 15.133 ( 14.503 2.666 -2.837) 15.017 15.666 ( -3.872 -6.367 4.091) 8.501 15.911 ( -0.956 -4.855 -1.991) 5.334 16.222 ( -9.519 -5.552 1.191) 11.084 16.462 ( 10.302 -11.212 -4.157) 15.784 17.301 ( -5.954 -4.979 13.497) 15.570 17.628 ( -0.825 -8.059 12.711) 15.073 18.215 ( 0.637 -2.756 -1.793) 3.349 18.415 ( -1.613 -1.707 -9.338) 9.629 18.912 ( -2.636 -0.416 7.751) 8.197 19.318 ( 2.879 -5.354 16.930) 17.988 19.548 ( -6.473 2.971 -12.204) 14.131 20.554 ( 14.532 -14.031 -20.229) 28.587 23.188 ( -2.805 2.459 24.191) 24.477 23.933 ( -2.689 -5.774 9.219) 11.205 24.650 ( 6.343 1.221 -21.320) 22.277 24.995 ( 2.460 -4.352 -20.691) 21.286 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 15.043 1.837 11.704) 19.148 1.616 ( 4.059 14.394 3.980) 15.476 1.958 ( 5.272 7.730 6.150) 11.197 2.158 ( -3.448 4.102 13.226) 14.270 2.354 ( 0.906 0.114 1.794) 2.013 2.556 ( -0.775 -0.403 -0.627) 1.076 2.803 ( -6.743 -2.513 4.837) 8.670 2.899 ( -2.805 -0.239 -4.894) 5.646 3.275 ( -1.648 7.062 11.944) 13.973 3.381 ( -0.526 2.080 10.362) 10.582 3.505 ( -1.526 -8.571 2.126) 8.962 3.678 ( 3.746 -7.274 -1.399) 8.301 3.728 ( 3.331 0.352 7.001) 7.761 3.907 ( -2.248 -4.270 6.906) 8.424 4.099 ( -3.966 -0.228 8.737) 9.597 4.258 ( -2.116 -3.344 6.017) 7.202 4.388 ( 1.520 -5.991 0.011) 6.180 4.606 ( 5.286 6.537 3.539) 9.121 4.996 ( 9.691 -0.200 3.646) 10.356 5.120 ( -0.860 0.496 -5.382) 5.473 5.404 ( -1.572 6.703 -5.846) 9.032 5.520 ( 4.047 4.880 -13.224) 14.665 5.702 ( 1.288 5.226 -0.265) 5.389 5.801 ( 1.075 1.569 -6.275) 6.557 6.487 ( 4.869 4.749 5.875) 8.988 6.623 ( 7.470 0.515 -2.768) 7.983 7.102 ( 4.974 -4.721 11.210) 13.141 7.336 ( -0.140 -4.711 7.534) 8.886 7.755 ( -6.949 0.785 -1.380) 7.128 7.997 ( -6.427 3.981 -3.171) 8.198 8.251 ( -5.698 4.604 -4.038) 8.365 8.466 ( 4.006 -4.552 -0.144) 6.065 8.482 ( -5.402 7.325 -3.463) 9.739 8.669 ( 5.122 14.784 -3.612) 16.058 8.925 ( 0.917 -3.087 17.918) 18.205 9.295 ( -5.860 0.056 -2.129) 6.235 9.441 ( 0.089 4.240 7.128) 8.294 9.629 ( -6.128 0.563 4.230) 7.467 9.696 ( 5.430 2.259 -6.355) 8.659 10.093 ( 1.887 2.240 8.326) 8.826 10.207 ( -7.679 -4.734 0.685) 9.047 10.465 ( 3.570 -4.915 -8.757) 10.658 11.136 ( -9.762 14.186 0.711) 17.235 11.298 ( -16.744 9.815 -0.452) 19.414 11.541 ( 5.870 5.347 6.146) 10.041 11.689 ( -6.743 3.196 0.516) 7.480 11.890 ( 4.191 2.306 7.637) 9.011 12.133 ( 1.845 -2.266 -5.567) 6.287 12.538 ( -3.842 2.167 -0.320) 4.423 12.809 ( 20.510 -5.779 6.508) 22.281 12.961 ( -6.955 -4.218 -0.787) 8.172 13.181 ( 5.103 -2.955 0.374) 5.909 14.116 ( -14.909 14.392 1.179) 20.755 14.335 ( -4.978 10.490 -0.421) 11.619 15.237 ( 11.536 0.154 -3.017) 11.925 15.386 ( 13.117 -1.278 0.902) 13.210 15.424 ( -12.339 -7.545 1.179) 14.511 15.931 ( -13.338 -11.327 4.917) 18.177 16.084 ( 8.908 -2.188 -3.962) 9.992 16.655 ( 8.371 -5.284 -3.149) 10.388 17.226 ( -6.676 -1.838 12.388) 14.192 17.680 ( 1.224 -9.803 13.986) 17.123 18.145 ( -3.009 -3.687 -5.904) 7.583 18.479 ( 7.175 -3.630 -3.023) 8.591 18.812 ( -9.557 0.634 7.238) 12.005 19.197 ( -15.978 0.354 -2.581) 16.189 19.535 ( 5.760 -0.517 9.366) 11.007 20.800 ( 16.191 -13.757 -25.990) 33.569 23.146 ( -9.069 2.760 22.934) 24.816 23.949 ( 0.887 -6.583 8.627) 10.888 24.655 ( 1.486 0.862 -20.659) 20.730 24.999 ( 4.994 -3.767 -20.639) 21.566 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 4.650 8.875 8.489) 13.132 1.861 ( 14.651 -0.131 4.758) 15.405 2.077 ( 2.373 13.860 14.776) 20.398 2.188 ( 3.900 1.438 8.548) 9.505 2.372 ( 0.403 -1.410 1.208) 1.900 2.541 ( -0.393 0.559 -0.825) 1.071 2.665 ( -7.735 -0.515 2.736) 8.221 2.850 ( 0.735 -5.946 -11.713) 13.156 3.254 ( -2.986 -4.217 -0.425) 5.185 3.354 ( -6.232 1.361 20.779) 21.736 3.533 ( 1.479 -0.494 5.317) 5.541 3.720 ( -2.849 -2.299 3.624) 5.151 3.762 ( 5.030 -4.408 -1.540) 6.863 3.917 ( -3.261 -4.804 20.931) 21.721 4.100 ( 1.229 8.718 4.887) 10.070 4.257 ( 0.174 -0.632 9.136) 9.160 4.421 ( 1.872 -4.937 0.151) 5.283 4.750 ( 7.680 7.358 1.316) 10.717 5.080 ( 0.472 1.665 0.181) 1.740 5.200 ( 7.635 -0.942 -0.042) 7.693 5.355 ( -2.092 7.200 -3.736) 8.377 5.564 ( 5.622 5.466 -14.864) 16.805 5.699 ( -1.128 7.384 -3.432) 8.220 5.806 ( 1.311 -2.861 -8.584) 9.143 6.614 ( 5.861 4.670 7.848) 10.852 6.785 ( 9.605 0.165 -2.226) 9.861 7.203 ( -1.057 -2.623 11.590) 11.930 7.338 ( -2.372 -3.462 8.345) 9.341 7.617 ( -5.289 0.727 1.222) 5.477 7.838 ( -8.137 2.215 -3.838) 9.265 8.109 ( -6.454 3.367 -7.305) 10.313 8.366 ( -4.503 4.778 -1.778) 6.802 8.549 ( 3.956 -2.931 -1.278) 5.086 8.720 ( 1.204 16.159 -3.957) 16.680 9.019 ( 3.398 1.666 12.942) 13.484 9.215 ( -0.509 -1.995 -2.675) 3.376 9.477 ( -1.064 6.512 7.271) 9.819 9.530 ( -4.234 0.259 7.010) 8.194 9.793 ( 6.385 1.555 -8.288) 10.577 9.943 ( -11.707 -0.741 -3.872) 12.353 10.227 ( -2.051 2.008 9.854) 10.263 10.462 ( 3.626 -4.170 -7.900) 9.641 10.930 ( -9.514 14.875 -8.877) 19.763 11.114 ( -1.374 11.344 6.169) 12.986 11.538 ( -7.863 3.665 0.915) 8.723 11.715 ( 5.439 1.223 12.641) 13.815 11.916 ( -3.275 2.792 5.528) 7.005 12.187 ( 4.610 -8.239 -3.464) 10.056 12.467 ( -3.019 -0.749 -1.638) 3.515 12.764 ( -9.716 -7.893 -0.210) 12.520 13.313 ( 14.414 0.267 7.203) 16.116 13.317 ( 18.607 -4.028 3.513) 19.360 13.846 ( -12.532 9.910 0.330) 15.980 14.311 ( 1.275 3.719 -0.311) 3.944 15.072 ( -19.599 -13.878 2.150) 24.112 15.269 ( -5.824 -5.138 -5.793) 9.689 15.718 ( -3.630 -5.668 1.408) 6.877 15.802 ( 21.593 5.104 -1.509) 22.240 16.293 ( 9.779 -3.202 1.502) 10.399 16.711 ( -0.957 0.823 -5.089) 5.243 17.133 ( -6.694 0.782 13.160) 14.785 17.749 ( 1.150 -9.342 16.086) 18.637 18.146 ( 4.851 -5.722 -4.633) 8.817 18.568 ( -0.266 -3.585 0.663) 3.655 18.620 ( -11.003 -0.016 4.586) 11.920 18.933 ( -8.520 2.512 -4.959) 10.173 19.652 ( 2.107 -2.130 11.378) 11.766 20.956 ( 9.625 -12.696 -28.803) 32.916 23.032 ( -9.794 5.276 22.420) 25.028 24.000 ( 1.407 -7.584 7.434) 10.713 24.591 ( -0.616 1.346 -20.617) 20.670 25.037 ( 5.624 -3.319 -20.405) 21.425 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 2.791 13.244 7.906) 15.675 1.996 ( -1.543 -2.098 15.598) 15.814 2.129 ( -4.999 4.584 2.451) 7.212 2.320 ( 6.356 0.119 11.205) 12.883 2.380 ( 0.364 -4.864 0.881) 4.956 2.581 ( -1.489 2.546 -0.593) 3.008 2.588 ( 7.767 5.482 -1.272) 9.592 2.861 ( 4.582 -6.781 -11.823) 14.379 3.135 ( -8.672 -1.338 4.411) 9.821 3.306 ( -6.541 1.578 7.254) 9.895 3.549 ( 0.019 3.059 7.468) 8.070 3.752 ( 2.676 -8.361 10.907) 14.001 3.816 ( -0.423 -0.088 4.465) 4.486 3.907 ( -4.501 -2.994 20.678) 21.373 4.153 ( 2.069 8.746 3.724) 9.728 4.284 ( -1.003 1.678 13.204) 13.348 4.466 ( 2.774 -7.244 -0.925) 7.811 4.901 ( 8.475 6.692 -3.088) 11.231 5.071 ( -2.603 1.074 2.244) 3.601 5.252 ( -3.957 5.693 -1.134) 7.025 5.351 ( 3.920 1.071 0.142) 4.066 5.637 ( 6.516 8.420 -13.872) 17.487 5.647 ( -1.669 7.274 -7.546) 10.613 5.766 ( -2.442 -3.601 -11.170) 11.987 6.733 ( 2.628 3.812 7.689) 8.975 6.927 ( 4.432 -1.264 -1.154) 4.751 7.101 ( -11.272 6.194 15.083) 19.822 7.294 ( -3.140 -2.124 8.250) 9.079 7.642 ( 5.537 -1.856 3.014) 6.572 7.703 ( -4.518 -0.190 -3.943) 6.000 7.983 ( -4.200 1.130 -5.401) 6.934 8.316 ( 0.156 3.538 -2.678) 4.440 8.593 ( 0.482 5.818 -1.704) 6.082 8.712 ( 0.661 11.558 -5.664) 12.888 9.094 ( -1.055 7.378 2.765) 7.950 9.251 ( 3.704 -4.168 2.593) 6.149 9.408 ( -2.188 1.345 1.863) 3.173 9.559 ( -0.457 2.352 11.701) 11.943 9.730 ( -5.751 4.606 1.051) 7.442 9.905 ( 4.363 4.266 -7.777) 9.885 10.097 ( -5.835 2.301 -5.630) 8.429 10.599 ( 4.435 4.988 -2.949) 7.297 10.774 ( -0.397 4.718 -6.218) 7.816 11.202 ( 3.500 5.371 7.627) 9.964 11.385 ( -5.263 3.368 0.055) 6.248 11.834 ( 2.108 -1.082 14.838) 15.026 11.848 ( -4.377 1.074 5.130) 6.829 12.255 ( 3.597 -9.903 -2.062) 10.736 12.399 ( -3.381 -0.993 -1.607) 3.873 12.655 ( -0.818 -9.829 -2.859) 10.269 13.396 ( -3.591 4.701 8.535) 10.384 13.726 ( 2.649 3.867 2.653) 5.386 13.773 ( 18.499 -3.657 4.053) 19.288 14.336 ( 1.198 -0.616 -3.943) 4.167 14.687 ( -20.710 -14.932 2.667) 25.670 15.098 ( -5.922 -12.059 -6.275) 14.828 15.800 ( 8.432 2.194 3.717) 9.472 16.126 ( 9.211 4.105 -2.760) 10.455 16.366 ( -1.413 0.290 -2.358) 2.765 16.650 ( -1.642 2.849 -7.872) 8.532 17.110 ( -0.017 0.830 20.493) 20.510 17.837 ( 1.916 -10.234 18.233) 20.996 18.253 ( 5.221 -5.167 -5.491) 9.171 18.367 ( -10.653 1.219 8.177) 13.484 18.573 ( -1.549 -4.173 -2.636) 5.173 18.845 ( -0.246 1.749 -6.423) 6.661 19.676 ( -3.383 -2.364 11.426) 12.148 20.987 ( 3.877 -12.174 -29.138) 31.816 22.946 ( -6.657 7.464 22.518) 24.639 24.042 ( 0.573 -7.914 6.792) 10.444 24.517 ( 0.173 2.207 -21.142) 21.257 25.070 ( 4.660 -3.336 -20.293) 21.086 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -4.597 15.475 8.563) 18.274 1.907 ( -16.311 3.591 1.487) 16.767 2.054 ( 2.794 -0.827 17.926) 18.161 2.328 ( -5.021 -8.696 -0.054) 10.041 2.477 ( 4.052 -1.885 2.478) 5.110 2.576 ( 0.955 3.448 3.326) 4.886 2.775 ( 9.798 7.807 -4.844) 13.432 2.940 ( 6.399 -4.911 -7.428) 10.965 3.013 ( -5.932 2.268 13.540) 14.956 3.166 ( -6.543 5.037 0.107) 8.258 3.544 ( -5.466 2.825 6.522) 8.966 3.805 ( -2.950 -0.469 14.877) 15.174 3.826 ( 1.132 -3.678 13.074) 13.629 3.890 ( -2.811 -4.886 10.045) 11.519 4.164 ( -2.702 5.391 1.803) 6.294 4.325 ( -0.229 -2.112 14.526) 14.680 4.510 ( 2.686 -6.064 -2.332) 7.031 4.978 ( -3.807 -6.715 4.930) 9.159 5.057 ( 4.558 8.337 -8.129) 12.505 5.115 ( -9.051 8.338 1.549) 12.403 5.392 ( -1.103 0.566 0.470) 1.325 5.614 ( 2.032 6.958 -8.385) 11.084 5.669 ( -2.657 -1.221 -10.634) 11.029 5.719 ( 5.738 8.332 -12.387) 15.993 6.703 ( -7.218 2.719 5.300) 9.359 6.901 ( -6.368 -2.612 0.588) 6.908 6.992 ( -5.495 9.742 18.628) 21.728 7.347 ( 4.224 0.208 6.713) 7.934 7.623 ( -1.913 -2.100 -1.490) 3.208 7.787 ( 8.136 -1.226 0.002) 8.228 7.942 ( 1.126 0.289 1.027) 1.551 8.345 ( 3.482 3.929 -6.550) 8.394 8.566 ( -1.219 11.653 -2.245) 11.930 8.696 ( -2.254 10.646 -4.003) 11.594 8.986 ( -6.020 -0.591 -1.968) 6.361 9.354 ( 5.442 -0.517 -1.269) 5.612 9.449 ( 3.068 -1.340 4.219) 5.386 9.564 ( -4.624 1.917 8.483) 9.850 9.639 ( -3.409 14.625 10.510) 18.330 9.951 ( 3.810 0.497 -1.132) 4.006 10.116 ( 8.918 7.467 -12.730) 17.243 10.493 ( -6.739 10.515 -10.598) 16.380 10.920 ( 10.253 -5.959 2.410) 12.101 11.086 ( -10.756 -0.684 -2.548) 11.074 11.499 ( 8.585 5.426 7.074) 12.377 11.813 ( -0.738 0.260 5.865) 5.917 11.915 ( 2.410 -4.388 15.656) 16.437 12.304 ( -2.819 -7.799 -5.667) 10.044 12.350 ( 3.348 0.091 0.416) 3.375 12.679 ( 4.064 -9.078 -6.247) 11.745 13.310 ( -6.132 3.197 10.875) 12.888 13.758 ( -3.603 0.593 3.373) 4.971 14.090 ( 12.315 3.094 1.085) 12.744 14.221 ( -12.163 -11.768 -2.559) 17.117 14.510 ( 5.084 -7.870 3.695) 10.072 15.082 ( 6.503 -12.642 -6.010) 15.435 15.886 ( -13.015 6.384 -1.288) 14.553 16.068 ( 3.679 2.806 3.194) 5.623 16.410 ( 0.558 1.151 -3.903) 4.107 16.567 ( -2.964 2.784 -9.321) 10.170 17.252 ( 5.107 -3.048 23.847) 24.577 17.865 ( -7.433 -11.198 15.747) 20.703 18.208 ( 1.504 2.518 1.378) 3.240 18.429 ( 5.269 -5.013 2.366) 7.648 18.532 ( 0.510 -4.233 -4.684) 6.334 18.867 ( 5.095 2.297 -5.430) 7.793 19.607 ( -7.436 -1.562 11.250) 13.575 20.919 ( -1.382 -12.322 -28.004) 30.626 22.933 ( -2.516 8.778 23.174) 24.909 24.061 ( -1.111 -7.932 7.232) 10.792 24.474 ( 2.954 2.931 -21.913) 22.305 25.079 ( 3.260 -3.689 -20.391) 20.977 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -18.683 12.028 1.862) 22.298 1.681 ( -6.239 11.576 13.378) 18.759 2.135 ( -3.912 0.236 3.720) 5.403 2.222 ( -2.107 -7.417 7.901) 11.040 2.466 ( -3.748 3.306 -0.458) 5.019 2.630 ( -0.409 0.524 5.464) 5.505 2.805 ( -0.876 4.676 -2.004) 5.162 2.989 ( -1.901 5.372 9.498) 11.076 3.082 ( 6.879 -0.586 4.999) 8.524 3.175 ( 7.493 1.366 -0.120) 7.617 3.432 ( -5.880 9.993 5.086) 12.661 3.753 ( -6.873 -9.963 9.759) 15.548 3.846 ( -4.942 -7.614 4.544) 10.151 3.899 ( 1.590 -3.110 11.162) 11.696 4.076 ( -5.721 7.249 4.115) 10.111 4.319 ( -4.586 -6.224 11.820) 14.123 4.554 ( 1.244 -5.048 -0.933) 5.282 4.880 ( -9.401 0.373 -1.721) 9.565 4.916 ( -6.126 -3.586 4.872) 8.609 5.157 ( 5.250 10.411 -5.710) 12.983 5.342 ( -2.513 1.029 -1.117) 2.937 5.601 ( -0.335 4.469 -12.305) 13.096 5.655 ( 2.318 1.806 -2.093) 3.608 5.770 ( 3.283 8.672 -7.942) 12.209 6.572 ( -7.295 2.712 3.424) 8.502 6.746 ( -9.005 -2.455 -0.981) 9.385 6.966 ( -3.965 8.069 18.538) 20.603 7.365 ( -4.404 -1.814 5.593) 7.346 7.685 ( 7.885 0.426 0.800) 7.937 7.943 ( 8.322 -0.825 -2.038) 8.607 8.023 ( 5.468 1.526 6.421) 8.571 8.356 ( 0.419 6.122 -9.989) 11.723 8.556 ( -1.025 9.778 -2.637) 10.179 8.641 ( 1.059 10.366 -0.287) 10.424 8.914 ( -2.191 -4.459 -1.180) 5.106 9.421 ( -3.143 10.114 0.125) 10.591 9.438 ( -1.545 -2.223 7.241) 7.731 9.512 ( 3.056 -0.480 -0.659) 3.163 9.736 ( 4.781 6.743 17.033) 18.933 9.998 ( 0.136 -0.108 -0.240) 0.296 10.236 ( 2.370 11.849 -6.574) 13.756 10.420 ( 7.762 4.826 -14.372) 17.033 10.890 ( -7.790 -0.863 -3.167) 8.453 11.123 ( 9.791 -5.260 4.428) 11.964 11.628 ( 3.523 1.422 5.092) 6.353 11.864 ( 4.211 -0.296 5.244) 6.732 11.965 ( -4.966 0.731 5.141) 7.185 12.203 ( -3.301 -0.853 2.180) 4.047 12.438 ( 2.992 0.144 -0.522) 3.041 12.764 ( 7.385 -8.743 -6.379) 13.102 13.255 ( -4.073 1.096 7.944) 8.994 13.627 ( -11.899 -6.675 4.518) 14.372 13.909 ( -7.306 -4.349 -6.842) 10.913 14.440 ( 17.895 4.499 5.269) 19.189 14.698 ( 9.778 -3.220 2.033) 10.493 15.268 ( 13.530 -10.509 -3.582) 17.503 15.482 ( -23.421 5.515 -1.515) 24.109 16.214 ( 0.219 1.931 -1.285) 2.330 16.269 ( -4.643 3.734 -1.081) 6.055 16.508 ( -3.491 -3.801 -4.963) 7.160 17.380 ( -0.003 -6.227 19.081) 20.072 17.724 ( -9.140 -7.765 11.092) 16.336 18.240 ( -2.762 -2.246 0.169) 3.564 18.491 ( 5.624 -2.013 -3.327) 6.838 18.654 ( 9.138 -2.443 2.500) 9.783 19.017 ( 11.882 -1.786 -0.728) 12.037 19.499 ( -6.081 1.564 9.456) 11.351 20.754 ( -6.817 -12.850 -25.316) 29.197 22.996 ( 0.933 8.588 24.265) 25.756 24.042 ( -3.635 -7.588 8.118) 11.692 24.494 ( 6.664 3.003 -22.218) 23.390 25.063 ( 2.057 -4.159 -20.567) 21.084 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -13.630 15.268 7.004) 21.632 1.633 ( -3.944 12.310 14.298) 19.276 1.979 ( -8.095 1.824 -3.981) 9.204 2.250 ( -2.143 -3.965 12.295) 13.095 2.382 ( -4.151 4.715 0.485) 6.301 2.583 ( -2.956 -0.703 3.320) 4.500 2.853 ( 3.632 -0.538 1.218) 3.869 2.961 ( -3.411 6.884 9.315) 12.075 3.203 ( 0.866 16.664 17.523) 24.197 3.311 ( 4.332 2.855 -0.979) 5.279 3.420 ( 4.928 -5.414 -1.073) 7.399 3.660 ( -3.744 -12.401 3.296) 13.367 3.718 ( -8.064 -5.676 1.183) 9.932 3.955 ( 0.531 -6.031 8.180) 10.177 4.037 ( 0.278 5.021 8.608) 9.969 4.264 ( -5.274 -7.896 13.416) 16.436 4.514 ( -4.726 -7.257 -0.379) 8.669 4.723 ( -5.154 2.679 -4.510) 7.354 4.824 ( -5.477 -2.307 3.286) 6.790 5.203 ( 0.801 6.922 -6.971) 9.856 5.351 ( 4.538 3.119 0.296) 5.514 5.543 ( -1.864 4.278 -11.322) 12.246 5.684 ( 1.212 4.215 -3.201) 5.430 5.799 ( 1.604 6.734 -2.099) 7.233 6.457 ( -5.195 2.729 0.853) 5.930 6.594 ( -5.561 -1.430 -2.121) 6.121 6.961 ( -2.343 3.892 16.304) 16.925 7.305 ( -2.759 -3.614 6.678) 8.079 7.823 ( 4.768 0.861 0.607) 4.883 8.063 ( 4.695 1.672 -3.147) 5.894 8.170 ( 7.493 2.911 5.842) 9.937 8.335 ( 0.968 3.958 -5.783) 7.074 8.531 ( 0.474 11.469 -2.398) 11.726 8.685 ( 1.060 8.326 -3.789) 9.209 8.877 ( -2.501 -5.737 7.405) 9.695 9.340 ( -2.537 5.182 2.701) 6.370 9.495 ( 0.915 1.057 9.740) 9.840 9.563 ( 3.219 0.929 -4.005) 5.222 9.852 ( -0.866 3.853 6.586) 7.679 9.964 ( -0.762 -1.553 4.354) 4.685 10.227 ( 2.186 0.370 -4.376) 4.905 10.529 ( -0.260 4.576 -6.957) 8.332 10.882 ( 11.511 5.115 -3.887) 13.182 11.310 ( 8.494 -3.247 4.697) 10.234 11.678 ( -0.956 -1.115 4.284) 4.529 11.813 ( -7.260 4.146 -2.660) 8.774 11.991 ( 7.459 0.690 1.574) 7.654 12.136 ( -7.857 6.742 7.032) 12.515 12.432 ( -2.717 0.925 0.721) 2.960 12.897 ( 6.850 -7.191 -3.254) 10.451 13.127 ( -13.629 -0.535 0.136) 13.640 13.316 ( -14.702 -10.517 -2.730) 18.281 14.047 ( 18.046 4.706 2.839) 18.864 14.752 ( 0.716 12.763 -13.393) 18.514 14.821 ( 13.780 1.256 10.477) 17.356 15.058 ( -19.473 3.654 3.788) 20.172 15.533 ( 12.779 -10.252 0.466) 16.390 16.030 ( -7.357 1.529 -4.766) 8.899 16.310 ( -1.938 -0.626 2.460) 3.194 16.413 ( -2.582 -10.642 -3.122) 11.387 17.370 ( -5.810 -7.555 14.955) 17.734 17.636 ( -4.215 -6.431 11.739) 14.033 18.189 ( 0.108 -1.207 -3.272) 3.489 18.518 ( -2.464 -1.995 -7.034) 7.715 18.835 ( 7.661 -1.656 5.308) 9.466 19.220 ( 3.374 -7.398 15.380) 17.397 19.527 ( 9.053 4.781 -6.518) 12.137 20.538 ( -5.581 -13.266 -20.526) 25.069 23.108 ( 1.833 5.891 24.950) 25.702 23.983 ( -5.034 -6.631 8.823) 12.131 24.571 ( 8.559 2.222 -21.869) 23.589 25.028 ( 1.471 -4.469 -20.681) 21.210 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -1.810 14.416 4.561) 15.228 1.832 ( -0.674 9.910 -0.094) 9.934 1.980 ( 0.894 2.310 4.537) 5.169 2.219 ( 0.387 0.685 8.256) 8.293 2.385 ( -2.834 2.249 0.676) 3.680 2.540 ( -0.610 -1.370 1.330) 2.005 2.815 ( 0.606 -1.786 -0.508) 1.953 2.977 ( -5.663 -4.096 8.431) 10.951 3.201 ( 3.971 -10.742 -6.162) 13.005 3.287 ( -2.967 -3.250 5.575) 7.103 3.329 ( 1.060 -9.809 1.199) 9.938 3.571 ( -3.868 -0.098 6.000) 7.140 3.836 ( -3.820 -5.102 6.560) 9.146 3.860 ( -1.443 6.952 10.406) 12.598 4.160 ( -1.425 5.641 15.610) 16.659 4.209 ( 2.844 -0.374 0.288) 2.883 4.290 ( -0.335 7.081 2.788) 7.617 4.694 ( -2.326 4.867 2.191) 5.822 4.834 ( 3.398 0.059 5.487) 6.454 5.199 ( -3.272 -2.084 -2.207) 4.463 5.535 ( 3.835 4.444 -3.130) 6.652 5.578 ( -1.941 5.885 -9.791) 11.588 5.796 ( 2.413 4.609 -8.989) 10.386 5.893 ( 0.231 2.934 -3.791) 4.800 6.468 ( 1.726 1.423 4.297) 4.845 6.544 ( 2.313 -0.276 -0.582) 2.400 6.998 ( -2.653 0.998 11.182) 11.536 7.190 ( -0.705 -6.350 9.397) 11.363 7.881 ( -1.099 2.103 -0.876) 2.529 8.080 ( 2.386 -3.568 -3.788) 5.725 8.315 ( -3.169 0.679 2.885) 4.339 8.456 ( 1.357 8.298 6.162) 10.425 8.710 ( -4.820 0.207 -11.405) 12.383 8.766 ( -0.313 2.328 6.964) 7.350 8.893 ( 3.624 8.840 2.527) 9.882 9.405 ( -5.770 -3.496 -2.141) 7.078 9.448 ( 4.869 2.172 1.911) 5.663 9.646 ( 2.917 0.476 1.715) 3.417 9.814 ( -3.992 3.004 0.397) 5.012 9.999 ( 1.746 -6.946 5.104) 8.795 10.175 ( -3.699 4.408 4.708) 7.435 10.497 ( -3.399 1.095 2.800) 4.537 11.264 ( 10.027 6.574 5.878) 13.353 11.520 ( 8.632 3.103 3.578) 9.846 11.662 ( -2.686 3.949 -0.271) 4.783 11.818 ( -1.818 1.375 0.443) 2.323 12.089 ( -15.981 7.360 -2.169) 17.728 12.214 ( 1.072 6.430 -5.505) 8.533 12.450 ( 8.269 2.059 5.285) 10.027 12.769 ( -11.511 1.552 -2.580) 11.898 12.882 ( 5.546 -8.187 1.116) 9.952 13.065 ( -4.124 -4.071 -0.393) 5.808 14.558 ( 4.350 10.586 3.443) 11.952 14.755 ( -11.991 3.946 3.613) 13.131 14.869 ( 6.962 -0.153 6.448) 9.491 15.185 ( 10.446 0.585 -5.586) 11.860 15.539 ( -6.050 -3.687 2.251) 7.434 15.824 ( 0.123 -3.790 -3.982) 5.499 16.059 ( -13.495 -8.524 0.868) 15.985 16.227 ( 12.273 -11.934 -5.048) 17.848 17.231 ( -3.653 -0.633 17.543) 17.931 17.495 ( -2.727 -5.553 16.080) 17.228 18.193 ( -1.711 0.462 -3.114) 3.583 18.367 ( -2.446 -3.015 -9.201) 9.987 18.926 ( -0.676 1.781 7.042) 7.295 19.195 ( 2.751 -6.316 13.719) 15.351 19.643 ( -2.395 6.456 -14.269) 15.844 20.284 ( 12.010 -12.674 -18.648) 25.547 23.285 ( -3.205 6.491 17.669) 19.094 23.792 ( -2.601 -7.904 10.038) 13.038 24.671 ( 5.544 1.313 -22.659) 23.365 24.896 ( 3.140 -5.143 -21.790) 22.608 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 6.397 7.540 5.486) 11.308 1.866 ( 4.305 9.575 0.633) 10.518 2.045 ( 4.059 0.323 5.483) 6.830 2.284 ( 3.894 4.472 7.508) 9.567 2.339 ( -2.591 1.759 2.509) 4.012 2.543 ( 0.407 -0.466 -0.455) 0.768 2.773 ( -4.230 0.338 -0.658) 4.294 2.881 ( -6.080 -1.576 4.284) 7.603 3.200 ( -1.956 -9.360 -3.675) 10.244 3.294 ( 0.727 -4.694 7.760) 9.098 3.359 ( 2.547 -9.859 -3.091) 10.641 3.541 ( -2.715 -0.645 12.771) 13.073 3.795 ( -4.343 -7.422 13.320) 15.854 3.873 ( 2.966 -3.314 2.056) 4.899 4.218 ( -0.650 16.082 11.734) 19.918 4.271 ( 0.094 4.809 3.185) 5.769 4.321 ( 6.204 0.931 2.350) 6.699 4.743 ( 6.239 7.043 6.152) 11.242 4.961 ( 7.526 -3.298 4.770) 9.501 5.134 ( -1.595 0.311 -3.847) 4.176 5.527 ( -1.575 4.289 -4.273) 6.256 5.570 ( 1.382 0.363 -4.041) 4.286 5.801 ( 2.345 6.069 -12.706) 14.275 5.887 ( 0.942 4.669 -6.940) 8.417 6.562 ( 5.672 2.504 6.020) 8.642 6.640 ( 7.725 0.598 -1.606) 7.912 7.035 ( 2.899 -1.699 10.813) 11.323 7.225 ( 0.411 -5.964 10.820) 12.362 7.803 ( -6.261 3.585 -0.905) 7.271 8.044 ( -4.985 0.222 -4.366) 6.630 8.276 ( -3.807 -3.469 7.757) 9.312 8.411 ( -4.001 3.635 -4.475) 7.018 8.570 ( -6.860 1.712 -3.638) 7.952 8.822 ( 2.862 -0.701 9.713) 10.150 9.002 ( 6.814 8.549 -1.007) 10.979 9.281 ( -5.288 -1.491 -4.522) 7.116 9.526 ( 1.490 2.188 0.639) 2.723 9.691 ( -0.044 6.511 7.087) 9.624 9.776 ( 2.195 4.330 -2.044) 5.267 9.982 ( -4.339 -12.004 -3.805) 13.319 10.178 ( 1.225 5.215 13.436) 14.465 10.461 ( -1.889 1.413 0.235) 2.371 11.355 ( -4.551 9.441 2.109) 10.691 11.530 ( -7.754 10.430 5.542) 14.129 11.652 ( 3.068 5.053 0.625) 5.945 11.773 ( -9.860 4.408 -6.072) 12.391 11.874 ( 2.841 -3.081 7.112) 8.255 12.129 ( -3.896 -0.329 -6.267) 7.387 12.589 ( -7.850 2.202 -1.654) 8.319 12.780 ( 14.317 3.103 7.083) 16.272 12.865 ( -0.987 -4.926 -1.008) 5.124 13.115 ( 8.673 -3.416 1.724) 9.479 14.368 ( -15.321 10.241 7.356) 19.842 14.494 ( -13.198 6.637 -2.233) 14.940 15.097 ( -12.446 -13.973 2.850) 18.928 15.200 ( 2.540 -9.089 0.695) 9.463 15.526 ( 12.059 6.619 -4.705) 14.538 15.789 ( -5.273 1.723 2.822) 6.224 15.999 ( 9.973 -5.905 -2.884) 11.944 16.504 ( 14.960 -10.197 -3.102) 18.369 17.207 ( -4.683 0.958 16.102) 16.797 17.516 ( -0.619 -6.630 16.787) 18.060 18.107 ( -4.080 0.019 -4.491) 6.067 18.375 ( 3.936 -6.232 -4.386) 8.577 18.850 ( -8.772 3.128 6.211) 11.194 19.155 ( -9.998 -4.241 3.589) 11.438 19.612 ( 3.972 8.165 -5.082) 10.405 20.495 ( 14.384 -15.982 -21.568) 30.455 23.247 ( -6.428 6.877 17.540) 19.906 23.797 ( -0.412 -8.349 9.652) 12.769 24.671 ( 2.280 1.211 -22.356) 22.505 24.908 ( 5.323 -5.057 -21.519) 22.737 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 4.796 0.227 5.397) 7.223 1.968 ( 4.092 5.917 2.165) 7.513 2.149 ( 3.813 -3.191 6.690) 8.336 2.300 ( -1.713 -3.170 0.698) 3.670 2.408 ( 5.253 12.337 9.684) 16.540 2.555 ( 1.409 1.701 -1.406) 2.618 2.705 ( -0.728 2.444 -1.339) 2.880 2.796 ( -3.306 1.626 0.629) 3.738 3.137 ( -2.828 -7.971 -1.863) 8.661 3.291 ( -2.738 -4.846 4.794) 7.346 3.468 ( 7.642 -3.518 8.371) 11.869 3.539 ( -2.269 -6.214 10.501) 12.411 3.783 ( -0.942 -5.374 12.983) 14.083 3.946 ( 1.376 1.359 3.075) 3.632 4.153 ( -3.832 0.283 3.155) 4.971 4.317 ( 0.960 10.152 11.950) 15.710 4.475 ( 5.756 7.352 4.062) 10.183 4.881 ( 3.924 5.515 7.508) 10.109 5.123 ( 6.914 -3.343 0.901) 7.732 5.142 ( 4.940 1.034 -4.453) 6.731 5.473 ( -3.559 3.014 0.166) 4.667 5.586 ( 2.361 -3.095 -4.900) 6.258 5.809 ( 2.963 6.502 -14.512) 16.176 5.876 ( 0.349 6.218 -9.591) 11.436 6.695 ( 5.945 3.231 5.420) 8.669 6.799 ( 8.878 0.683 -1.838) 9.092 7.152 ( 3.903 -1.993 11.760) 12.550 7.255 ( -1.029 -4.449 10.876) 11.796 7.669 ( -7.092 4.341 2.307) 8.629 7.879 ( -9.907 1.603 -3.577) 10.654 8.164 ( -7.944 1.452 -2.163) 8.361 8.394 ( 1.664 -8.324 4.746) 9.725 8.454 ( -3.107 4.028 -2.612) 5.718 8.906 ( 2.984 -1.157 4.243) 5.314 9.116 ( 5.286 7.701 -1.585) 9.474 9.204 ( -0.756 0.949 -5.079) 5.222 9.524 ( -1.443 -0.020 6.187) 6.353 9.677 ( -5.062 9.882 3.674) 11.695 9.840 ( 0.191 0.844 -0.025) 0.866 9.886 ( 1.970 -0.941 -5.421) 5.844 10.288 ( 3.618 2.364 12.970) 13.671 10.401 ( -2.111 -0.196 -3.605) 4.183 11.155 ( -10.948 10.103 -7.354) 16.613 11.419 ( -5.373 13.818 4.018) 15.360 11.595 ( -7.969 1.405 -5.461) 9.763 11.754 ( 3.164 2.596 10.055) 10.856 11.935 ( -0.174 -2.042 9.540) 9.758 12.081 ( 1.409 -2.246 -6.964) 7.451 12.452 ( -6.135 -1.025 0.316) 6.228 12.616 ( -12.917 -5.250 1.000) 13.979 13.263 ( 22.192 -0.330 2.675) 22.356 13.343 ( 14.263 1.244 6.691) 15.803 14.046 ( -17.894 10.111 0.768) 20.567 14.348 ( -3.486 1.103 0.503) 3.691 14.782 ( -19.716 -13.631 4.456) 24.380 15.022 ( -14.980 -18.258 -4.901) 24.120 15.692 ( 8.363 4.214 -1.449) 9.476 16.005 ( 18.556 12.616 1.958) 22.524 16.188 ( 9.451 -6.645 0.685) 11.574 16.692 ( 5.540 -3.506 -5.497) 8.556 17.164 ( -4.916 2.756 15.741) 16.719 17.574 ( 0.653 -8.184 17.350) 19.195 18.069 ( 1.877 -1.297 -2.629) 3.481 18.431 ( 2.267 -8.943 -2.162) 9.476 18.660 ( -12.753 3.753 4.816) 14.139 18.957 ( -8.747 -1.080 -2.537) 9.171 19.684 ( 2.901 6.279 0.155) 6.919 20.642 ( 8.846 -17.562 -24.146) 31.140 23.177 ( -6.532 8.840 17.797) 20.918 23.828 ( 0.224 -9.410 9.192) 13.157 24.627 ( 1.039 2.545 -22.226) 22.395 24.945 ( 5.569 -5.599 -21.358) 22.771 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 2.966 -5.703 6.195) 8.927 1.993 ( -1.766 4.689 3.980) 6.399 2.178 ( -2.749 -7.081 3.456) 8.345 2.276 ( -1.122 -4.686 -1.948) 5.197 2.498 ( -0.276 16.244 10.818) 19.519 2.594 ( 2.630 1.540 0.369) 3.070 2.748 ( 3.981 2.283 -4.357) 6.328 2.802 ( 5.766 5.210 -0.880) 7.821 3.102 ( -2.391 -4.048 9.161) 10.297 3.279 ( 0.949 -1.609 2.858) 3.415 3.503 ( -4.758 -10.449 7.576) 13.755 3.616 ( 2.200 -0.077 11.944) 12.145 3.861 ( 4.613 0.111 4.438) 6.402 3.894 ( -4.662 6.839 10.943) 13.721 4.183 ( 3.457 -10.820 6.457) 13.065 4.363 ( 0.326 7.179 6.963) 10.006 4.505 ( -4.552 11.344 8.991) 15.174 4.928 ( -1.978 -2.025 6.694) 7.267 5.173 ( 3.576 6.515 -5.823) 9.441 5.281 ( 5.060 -1.977 -1.176) 5.558 5.405 ( -3.369 2.826 1.263) 4.575 5.607 ( 0.532 -5.895 -5.189) 7.872 5.828 ( 4.068 7.765 -12.760) 15.481 5.836 ( -0.253 7.338 -12.382) 14.395 6.789 ( 1.094 1.936 3.944) 4.528 6.910 ( 0.601 -0.808 0.311) 1.054 7.200 ( -0.527 2.215 14.270) 14.450 7.273 ( -0.884 0.146 6.454) 6.516 7.595 ( -1.580 -0.239 2.315) 2.814 7.718 ( -4.590 0.647 -1.225) 4.795 8.027 ( -5.026 2.879 1.065) 5.889 8.394 ( -0.143 4.335 1.968) 4.763 8.520 ( 6.980 -7.584 0.294) 10.311 8.951 ( 1.687 3.399 -2.440) 4.512 9.138 ( -3.171 -1.446 -4.593) 5.765 9.247 ( 5.916 5.763 -3.082) 8.816 9.471 ( -7.281 2.627 9.970) 12.623 9.604 ( -0.339 1.535 3.899) 4.204 9.827 ( 0.139 6.279 3.855) 7.370 9.995 ( 7.547 4.036 -7.931) 11.668 10.210 ( -7.149 7.790 1.493) 10.678 10.549 ( 11.781 -4.979 3.775) 13.335 10.950 ( -8.962 8.631 -9.905) 15.903 11.285 ( -10.155 0.858 -6.261) 11.961 11.484 ( -0.137 6.602 4.829) 8.181 11.787 ( -3.440 -2.877 11.859) 12.678 11.938 ( -2.345 6.567 5.600) 8.943 12.139 ( 6.285 -1.541 -1.934) 6.754 12.364 ( -4.044 -3.242 1.722) 5.462 12.452 ( -2.288 -8.449 -0.488) 8.767 13.504 ( 1.180 5.174 6.833) 8.652 13.729 ( 19.351 -0.184 6.006) 20.262 13.809 ( -3.752 4.112 1.616) 5.796 14.287 ( -5.587 -3.573 -5.720) 8.758 14.402 ( -17.479 -12.021 3.109) 21.440 14.793 ( -5.800 -16.608 -4.535) 18.167 15.878 ( 10.258 5.355 4.181) 12.304 16.248 ( 2.567 3.759 1.169) 4.699 16.356 ( 8.806 1.911 -0.808) 9.047 16.688 ( -2.119 0.742 -8.331) 8.628 17.144 ( -2.413 2.802 18.249) 18.620 17.637 ( -0.595 -9.972 17.338) 20.010 18.156 ( 7.278 -3.239 -1.347) 8.079 18.433 ( -2.391 -6.889 -3.563) 8.116 18.441 ( -8.762 3.899 5.273) 10.944 18.847 ( -1.987 -2.449 -3.320) 4.579 19.701 ( -1.286 5.902 0.803) 6.093 20.676 ( 3.394 -17.829 -25.164) 31.026 23.131 ( -4.225 10.634 18.174) 21.476 23.859 ( -0.195 -10.167 9.112) 13.654 24.579 ( 1.677 4.112 -22.450) 22.885 24.972 ( 4.499 -6.154 -21.413) 22.730 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -1.697 -6.100 6.252) 8.899 1.975 ( -1.395 5.592 6.203) 8.467 2.117 ( -2.758 -5.799 1.255) 6.543 2.217 ( -4.589 -0.019 -3.456) 5.745 2.489 ( -2.042 8.850 7.701) 11.908 2.629 ( 0.568 0.984 -1.044) 1.543 2.807 ( 3.471 -2.790 -2.655) 5.185 2.955 ( 8.154 3.483 -4.358) 9.880 3.077 ( -3.915 2.936 16.171) 16.895 3.313 ( -1.527 8.605 4.309) 9.744 3.423 ( -3.935 -13.381 4.805) 14.752 3.644 ( -0.843 -2.696 9.008) 9.440 3.800 ( -5.191 3.838 12.431) 14.007 4.032 ( 4.819 1.699 4.628) 6.894 4.258 ( 0.877 -3.127 10.400) 10.895 4.367 ( -2.098 4.214 4.286) 6.366 4.409 ( -6.565 6.060 8.391) 12.257 4.855 ( -6.262 -4.250 6.597) 10.039 5.189 ( -6.585 4.236 -5.775) 9.729 5.279 ( 1.841 4.826 0.082) 5.166 5.373 ( -1.849 -0.556 0.178) 1.939 5.599 ( 1.943 -3.379 -4.591) 6.023 5.789 ( 0.097 8.338 -12.229) 14.801 5.886 ( 4.827 6.719 -11.492) 14.160 6.736 ( -7.323 0.572 3.931) 8.331 6.825 ( -7.353 -3.828 1.803) 8.484 7.190 ( -6.044 8.083 14.964) 18.049 7.345 ( 3.977 -0.445 5.292) 6.635 7.584 ( 0.838 -1.313 0.247) 1.577 7.708 ( 3.994 -4.833 -3.869) 7.367 8.031 ( 3.522 7.594 10.335) 13.300 8.429 ( 3.381 5.439 -4.507) 7.832 8.635 ( 3.600 -3.035 3.843) 6.078 8.962 ( 0.485 2.487 -8.957) 9.308 8.988 ( -8.031 7.845 -3.149) 11.659 9.343 ( 4.554 1.197 -2.836) 5.497 9.440 ( 0.175 0.476 8.974) 8.988 9.586 ( -4.236 -0.528 4.248) 6.023 9.881 ( 3.205 3.946 6.016) 7.877 9.977 ( -5.476 6.230 1.869) 8.502 10.275 ( 12.882 8.325 -5.696) 16.361 10.680 ( -9.826 5.798 -5.021) 12.465 10.806 ( 8.085 -3.591 -1.537) 8.980 11.060 ( -9.534 -2.171 -8.383) 12.880 11.598 ( 6.206 4.261 6.025) 9.643 11.787 ( 2.988 -6.285 11.050) 13.059 11.905 ( -1.318 7.739 7.399) 10.788 12.212 ( -2.042 -0.975 -1.564) 2.750 12.363 ( 5.809 -0.355 1.830) 6.100 12.498 ( 5.801 -7.814 -4.472) 10.711 13.423 ( -8.031 7.500 10.436) 15.155 13.748 ( -8.203 -1.126 3.798) 9.109 13.982 ( -10.039 -10.634 0.382) 14.628 14.163 ( 17.101 1.496 -4.006) 17.628 14.314 ( 2.488 -8.365 3.738) 9.494 14.814 ( 9.105 -12.849 -5.089) 16.550 16.034 ( -3.575 7.231 2.204) 8.362 16.160 ( -2.642 5.836 2.618) 6.920 16.426 ( -2.209 0.575 -1.501) 2.732 16.607 ( -3.989 0.801 -8.343) 9.282 17.197 ( 0.714 -1.522 20.573) 20.642 17.625 ( -6.645 -12.272 15.658) 20.974 18.283 ( 4.818 2.811 -4.232) 7.002 18.358 ( 0.071 0.083 6.729) 6.730 18.439 ( 5.099 -4.405 -3.316) 7.510 18.840 ( 1.572 -5.152 -1.302) 5.542 19.653 ( -3.330 7.005 -0.123) 7.757 20.614 ( -1.438 -17.163 -24.614) 30.041 23.137 ( -1.398 11.221 18.377) 21.577 23.875 ( -1.378 -10.335 9.462) 14.080 24.553 ( 3.553 4.970 -22.855) 23.658 24.975 ( 3.173 -6.419 -21.622) 22.776 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -7.623 4.150 5.276) 10.157 1.941 ( -4.325 9.688 5.995) 12.186 2.058 ( -4.587 -2.920 -6.178) 8.230 2.166 ( 0.480 -0.672 9.243) 9.280 2.488 ( -0.653 0.344 0.030) 0.739 2.629 ( 0.698 -0.031 0.383) 0.797 2.791 ( -6.606 -4.520 2.424) 8.363 2.999 ( 3.952 -1.801 -4.224) 6.059 3.145 ( -0.306 6.024 8.770) 10.644 3.240 ( -1.576 -4.269 2.985) 5.442 3.405 ( -1.787 -1.508 4.757) 5.300 3.666 ( -1.029 -6.026 10.669) 12.296 3.767 ( -2.385 7.060 14.260) 16.090 4.022 ( -4.961 1.056 -2.765) 5.777 4.226 ( -8.161 14.711 17.831) 24.514 4.312 ( -4.320 -0.467 6.294) 7.648 4.383 ( -0.558 -5.275 -0.299) 5.313 4.794 ( -2.207 -2.792 6.901) 7.765 4.970 ( -11.756 2.879 -1.761) 12.231 5.292 ( -3.011 -5.530 2.378) 6.731 5.375 ( 4.436 9.745 -4.599) 11.653 5.657 ( 4.829 0.207 -3.278) 5.840 5.748 ( -0.819 7.187 -11.586) 13.658 5.915 ( 1.586 5.147 -8.434) 10.007 6.597 ( -7.622 -0.129 2.990) 8.189 6.681 ( -7.704 -3.735 -0.006) 8.561 7.119 ( -6.220 6.142 14.357) 16.808 7.311 ( -7.513 -2.956 7.556) 11.058 7.696 ( 8.936 0.290 0.284) 8.945 7.832 ( 9.383 -6.278 -3.644) 11.863 8.174 ( 6.530 10.592 12.264) 17.471 8.445 ( -0.312 4.543 -8.129) 9.317 8.697 ( 2.396 2.717 4.856) 6.059 8.840 ( -3.659 2.706 -5.343) 7.019 8.950 ( -1.357 11.046 -7.084) 13.192 9.384 ( -0.508 -2.188 2.486) 3.351 9.484 ( 1.124 -2.223 3.895) 4.624 9.529 ( -0.149 0.788 0.415) 0.903 9.903 ( -3.820 2.403 7.857) 9.061 9.944 ( 0.618 0.996 4.957) 5.094 10.429 ( -9.719 6.763 -1.682) 11.959 10.537 ( 11.383 5.451 -6.025) 13.985 10.873 ( -2.558 -0.770 -4.359) 5.113 11.044 ( 11.658 -2.472 0.046) 11.918 11.673 ( 1.747 3.693 4.164) 5.833 11.884 ( 2.813 0.503 7.601) 8.120 12.004 ( 1.450 3.710 3.103) 5.049 12.185 ( 5.219 0.287 4.692) 7.024 12.475 ( 3.332 1.650 -0.071) 3.718 12.593 ( 6.249 -7.204 -7.523) 12.147 13.313 ( -7.584 4.240 8.420) 12.099 13.497 ( -18.656 -4.839 1.086) 19.304 13.849 ( 2.369 -1.380 0.222) 2.750 14.489 ( 14.242 -15.602 5.948) 21.946 14.548 ( 20.230 5.258 0.766) 20.916 15.024 ( 12.131 -10.243 -4.240) 16.433 15.719 ( -20.269 14.147 -2.663) 24.861 16.235 ( -1.356 0.184 2.158) 2.555 16.306 ( -6.322 -0.032 2.470) 6.788 16.445 ( -10.555 -3.063 -9.109) 14.274 17.252 ( -2.604 -4.942 19.018) 19.821 17.539 ( -5.950 -9.715 15.446) 19.193 18.265 ( -3.210 4.054 -0.628) 5.208 18.462 ( 7.114 -0.905 -5.979) 9.337 18.609 ( 10.591 -1.767 2.751) 11.084 18.900 ( 4.853 -8.668 5.063) 11.150 19.606 ( -0.077 8.755 -3.327) 9.366 20.467 ( -5.869 -15.163 -22.688) 27.913 23.189 ( 0.366 10.289 18.307) 21.004 23.864 ( -3.118 -9.778 9.880) 14.246 24.569 ( 5.902 4.498 -23.053) 24.217 24.955 ( 2.198 -6.290 -21.837) 22.831 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -9.439 13.960 4.194) 17.365 1.873 ( -3.838 10.664 3.507) 11.863 1.986 ( -1.948 0.109 -0.507) 2.015 2.201 ( -0.684 -1.758 9.303) 9.492 2.443 ( -2.987 1.451 -1.837) 3.795 2.588 ( -5.454 0.345 2.597) 6.051 2.760 ( 3.901 -5.332 0.478) 6.624 3.051 ( -4.644 -6.833 5.597) 9.979 3.111 ( 5.324 -3.215 -2.971) 6.893 3.297 ( 2.343 -8.132 1.130) 8.538 3.359 ( -5.061 -0.282 7.215) 8.817 3.639 ( -4.452 -4.388 6.117) 8.746 3.812 ( 1.360 13.603 13.886) 19.486 3.908 ( -5.153 -1.656 0.204) 5.417 4.151 ( -4.311 10.707 15.004) 18.930 4.244 ( -4.918 -1.777 6.035) 7.985 4.327 ( -4.373 -0.559 2.116) 4.890 4.765 ( -4.070 1.892 -0.247) 4.495 4.813 ( -3.190 0.503 3.432) 4.713 5.250 ( -2.258 -4.767 2.020) 5.648 5.456 ( 5.247 8.616 -4.091) 10.885 5.661 ( -2.320 6.940 -12.855) 14.792 5.753 ( 4.147 1.915 -3.034) 5.483 5.904 ( 0.080 3.241 -5.143) 6.080 6.486 ( -4.438 0.268 2.178) 4.950 6.563 ( -4.037 -1.809 -0.210) 4.429 7.047 ( -5.893 3.733 12.334) 14.170 7.209 ( -4.787 -5.134 8.573) 11.080 7.841 ( 5.290 0.688 0.454) 5.354 7.992 ( 7.644 -5.516 -2.679) 9.800 8.334 ( 5.620 10.792 11.469) 16.721 8.385 ( -2.368 3.060 -5.124) 6.421 8.745 ( 1.784 4.852 -2.525) 5.753 8.804 ( -1.022 -1.902 -0.175) 2.166 8.879 ( -2.789 12.771 -3.489) 13.530 9.381 ( 0.552 -0.740 4.219) 4.319 9.484 ( -1.895 -2.721 0.040) 3.316 9.578 ( 3.707 -0.055 0.108) 3.709 9.870 ( -1.620 -5.455 -0.361) 5.702 9.954 ( -1.067 4.162 11.351) 12.137 10.265 ( -6.580 3.986 -0.131) 7.694 10.576 ( -4.577 -0.297 0.883) 4.670 11.009 ( 14.615 6.560 -0.634) 16.032 11.285 ( 13.156 -0.008 1.223) 13.213 11.697 ( -0.788 3.421 2.813) 4.498 11.890 ( -4.931 2.384 1.579) 5.700 12.062 ( 9.302 6.706 -0.122) 11.468 12.275 ( -3.169 6.429 6.809) 9.886 12.468 ( -3.403 1.405 -0.932) 3.798 12.722 ( 9.532 -9.614 -4.370) 14.226 13.098 ( -20.250 -2.528 -3.455) 20.698 13.184 ( -8.259 -2.137 3.101) 9.077 14.128 ( 23.760 4.325 5.762) 24.829 14.769 ( 9.147 -7.102 8.662) 14.461 14.918 ( 18.550 3.592 -4.754) 19.483 15.074 ( -12.440 -2.897 2.156) 12.954 15.473 ( 1.995 6.591 -2.599) 7.360 16.039 ( -13.587 -1.296 -2.657) 13.905 16.201 ( -7.742 -8.483 -10.505) 15.564 16.253 ( -6.888 -5.474 5.629) 10.445 17.241 ( -3.881 -3.275 18.244) 18.938 17.506 ( -3.681 -6.484 15.904) 17.565 18.214 ( -1.010 3.267 -3.354) 4.790 18.475 ( -2.967 -2.471 -9.260) 10.033 18.817 ( 9.155 -0.081 5.051) 10.456 19.054 ( 6.521 -8.188 13.949) 17.440 19.646 ( 5.729 7.050 -10.671) 14.014 20.280 ( -4.544 -12.193 -19.704) 23.613 23.255 ( -0.070 8.221 18.018) 19.805 23.826 ( -4.034 -8.685 10.093) 13.913 24.621 ( 7.071 2.880 -22.924) 24.162 24.922 ( 1.955 -5.780 -21.928) 22.761 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -2.774 12.278 2.085) 12.759 1.927 ( -1.772 -6.271 5.382) 8.452 2.030 ( 0.614 8.785 -4.429) 9.858 2.188 ( 1.092 -4.970 2.123) 5.513 2.457 ( -1.210 4.183 2.345) 4.946 2.516 ( 0.045 -1.224 0.571) 1.351 2.769 ( 2.375 -2.128 3.672) 4.864 2.815 ( 1.079 -6.931 3.220) 7.718 3.109 ( 1.022 1.393 -5.136) 5.419 3.188 ( 0.629 -4.740 -4.126) 6.316 3.363 ( -7.326 7.147 15.723) 18.761 3.493 ( -4.283 -5.048 9.078) 11.235 3.708 ( -5.084 -3.901 11.590) 13.244 3.763 ( -7.797 -8.868 5.791) 13.152 4.231 ( 4.233 4.030 -1.511) 6.037 4.269 ( 2.723 0.907 -0.862) 2.997 4.633 ( -1.962 15.718 5.583) 16.795 4.806 ( 0.338 -3.196 4.048) 5.169 4.828 ( 1.165 9.109 8.451) 12.480 5.063 ( -0.416 -10.656 4.395) 11.534 5.637 ( -1.192 4.558 -5.235) 7.043 5.672 ( -4.379 2.010 -5.138) 7.044 5.865 ( 5.378 2.744 -10.873) 12.437 5.914 ( 3.073 -1.150 -8.442) 9.058 6.491 ( 2.372 1.309 5.388) 6.031 6.524 ( 2.692 -1.638 3.133) 4.443 7.021 ( -3.508 1.411 9.302) 10.041 7.075 ( -1.900 -4.299 9.706) 10.784 7.927 ( 0.886 2.543 -0.358) 2.716 7.992 ( 2.535 -3.977 -0.691) 4.767 8.404 ( -5.122 7.231 -0.296) 8.866 8.551 ( -4.000 -3.791 2.097) 5.897 8.689 ( -1.198 2.836 -2.317) 3.853 8.758 ( -1.586 -1.957 5.848) 6.367 9.120 ( -0.281 11.002 -2.664) 11.324 9.295 ( -3.627 -6.348 -0.810) 7.355 9.471 ( 5.264 1.386 -0.948) 5.525 9.578 ( 5.549 -7.896 -2.831) 10.057 9.861 ( -0.549 4.863 4.922) 6.941 9.940 ( -2.645 -1.698 3.967) 5.061 10.321 ( -2.706 8.086 8.864) 12.300 10.461 ( -2.428 -4.786 6.305) 8.280 11.406 ( 10.973 6.965 6.661) 14.605 11.520 ( 11.613 -3.426 4.805) 13.027 11.747 ( -3.553 4.566 0.099) 5.787 11.820 ( -3.848 -1.887 -1.062) 4.416 12.225 ( -15.331 5.988 -4.773) 17.137 12.295 ( -10.429 0.116 -6.789) 12.445 12.527 ( 14.287 6.049 5.640) 16.509 12.692 ( 9.505 -9.472 2.804) 13.709 12.850 ( -7.400 5.760 -1.292) 9.466 12.972 ( -5.751 -5.420 -1.074) 7.975 14.715 ( 11.485 4.602 4.819) 13.278 14.770 ( -2.088 -1.066 5.309) 5.804 14.924 ( -3.776 5.712 5.440) 8.745 15.085 ( -3.613 -8.634 2.999) 9.828 15.590 ( 1.686 6.995 -6.027) 9.386 15.735 ( 2.566 -5.844 -6.768) 9.303 15.943 ( -9.124 -1.540 0.491) 9.266 16.012 ( 3.858 -7.895 -1.955) 9.002 17.277 ( -2.766 4.486 18.877) 19.599 17.384 ( -2.775 -5.502 18.080) 19.101 18.227 ( -3.370 2.744 -5.103) 6.703 18.296 ( -3.640 -3.711 -7.434) 9.071 18.983 ( 1.328 3.699 7.582) 8.540 19.075 ( 2.645 -5.310 10.045) 11.666 19.810 ( 2.576 9.808 -16.115) 19.040 20.034 ( 7.673 -11.844 -17.620) 22.574 23.439 ( -2.980 8.406 13.564) 16.233 23.618 ( -2.668 -8.927 11.322) 14.663 24.714 ( 4.631 3.045 -23.138) 23.792 24.794 ( 3.848 -4.658 -22.721) 23.510 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.231 11.598 2.755) 11.984 1.935 ( 0.422 -6.708 6.858) 9.602 2.059 ( 3.633 6.111 -3.482) 7.917 2.208 ( 0.371 -7.199 -1.089) 7.291 2.483 ( 3.353 6.588 3.316) 8.102 2.554 ( 3.167 0.044 -0.609) 3.225 2.763 ( -3.005 0.039 2.991) 4.241 2.830 ( -1.162 -5.193 4.292) 6.837 3.100 ( -1.134 3.693 -6.806) 7.826 3.210 ( 3.540 -5.128 -4.301) 7.572 3.326 ( -1.845 4.792 17.134) 17.887 3.456 ( -3.563 -6.942 16.091) 17.883 3.655 ( -2.757 -3.771 8.990) 10.132 3.707 ( 0.196 -7.774 4.043) 8.765 4.354 ( 4.298 2.356 2.729) 5.610 4.365 ( 7.279 1.611 2.386) 7.828 4.587 ( -2.780 15.997 4.790) 16.928 4.838 ( 3.028 -8.249 1.412) 8.900 4.923 ( 4.866 9.162 8.513) 13.420 5.088 ( 2.373 -5.488 1.862) 6.262 5.573 ( -4.449 1.150 0.058) 4.596 5.584 ( -2.849 0.530 -4.559) 5.402 5.912 ( 3.959 4.045 -13.594) 14.725 5.949 ( 3.516 0.769 -11.317) 11.876 6.601 ( 6.830 1.659 5.112) 8.691 6.633 ( 7.598 -1.232 1.357) 7.816 7.035 ( 1.632 1.756 10.281) 10.557 7.107 ( 1.209 -5.094 11.473) 12.611 7.890 ( -4.353 4.663 -0.415) 6.392 7.987 ( -2.697 -4.705 -1.246) 5.565 8.292 ( -7.261 4.935 3.635) 9.502 8.412 ( -9.376 -4.969 -2.598) 10.925 8.643 ( -3.302 6.273 0.161) 7.091 8.763 ( 0.346 -4.645 3.493) 5.822 9.150 ( 3.713 5.987 -0.567) 7.068 9.238 ( -1.506 -2.786 -1.725) 3.607 9.548 ( 2.129 2.176 -0.587) 3.100 9.671 ( 3.809 -9.389 -1.994) 10.326 9.859 ( 0.183 5.546 2.567) 6.114 9.903 ( -1.004 0.942 1.786) 2.255 10.321 ( -1.179 7.902 10.626) 13.295 10.447 ( -1.861 -3.538 5.878) 7.109 11.546 ( -1.109 8.891 4.298) 9.938 11.673 ( 0.939 0.530 3.364) 3.533 11.701 ( -1.720 1.662 2.334) 3.342 11.784 ( 0.966 -4.122 3.473) 5.476 11.904 ( -12.542 8.005 -6.574) 16.266 12.063 ( -8.737 -6.263 -5.777) 12.204 12.647 ( -7.358 3.889 0.510) 8.339 12.744 ( -7.325 -5.337 1.083) 9.128 12.911 ( 17.654 6.841 2.203) 19.061 13.034 ( 12.835 -4.901 2.055) 13.892 14.547 ( -13.790 8.441 10.546) 19.304 14.644 ( -13.710 5.889 -0.339) 14.925 14.832 ( -16.602 -8.643 4.350) 19.216 14.948 ( -10.879 -12.829 -2.890) 17.067 15.681 ( 7.988 8.467 -5.396) 12.830 15.854 ( 8.534 -8.092 -3.659) 12.317 15.968 ( 13.508 12.795 1.688) 18.682 16.249 ( 17.904 -13.988 -0.857) 22.736 17.274 ( -3.703 5.094 17.775) 18.858 17.391 ( -2.504 -5.979 17.893) 19.031 18.144 ( -3.147 3.556 -4.242) 6.367 18.245 ( -0.177 -6.062 -4.531) 7.570 18.936 ( -7.790 5.089 5.884) 11.009 19.049 ( -7.487 -5.727 5.736) 11.034 19.845 ( 5.957 14.050 -13.712) 20.516 20.161 ( 10.243 -16.414 -18.210) 26.570 23.415 ( -4.022 9.274 13.607) 16.951 23.611 ( -1.907 -9.679 11.183) 14.912 24.716 ( 3.490 3.298 -22.914) 23.411 24.803 ( 4.682 -4.964 -22.440) 23.455 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -0.269 8.957 2.497) 9.302 1.960 ( -0.993 -8.974 5.537) 10.592 2.115 ( 2.140 3.192 -1.187) 4.023 2.205 ( -0.056 -4.953 -1.090) 5.072 2.571 ( 3.310 4.516 -0.103) 5.600 2.617 ( 4.641 1.557 -0.698) 4.945 2.754 ( 2.855 2.875 -0.872) 4.144 2.842 ( 2.341 -4.009 8.589) 9.764 3.035 ( -3.939 6.460 -0.377) 7.576 3.221 ( -2.191 -6.146 5.290) 8.400 3.436 ( 4.821 0.453 11.703) 12.665 3.449 ( -0.994 -1.626 16.267) 16.378 3.693 ( 3.474 -1.571 7.742) 8.630 3.784 ( 6.422 -9.392 4.683) 12.303 4.325 ( -7.146 8.824 1.091) 11.407 4.431 ( -2.095 -0.606 6.751) 7.095 4.662 ( 6.455 11.654 5.957) 14.593 4.896 ( -0.193 -8.700 7.989) 11.813 5.077 ( 10.180 5.182 0.187) 11.424 5.171 ( 6.075 -1.512 -1.962) 6.561 5.492 ( -4.214 0.510 2.045) 4.712 5.526 ( -2.186 -2.408 -1.670) 3.656 5.933 ( 3.209 4.449 -14.835) 15.817 5.964 ( 2.140 1.666 -12.840) 13.124 6.752 ( 6.947 2.508 2.642) 7.844 6.794 ( 8.374 -1.317 -0.798) 8.514 7.133 ( 3.987 0.324 11.671) 12.337 7.171 ( 1.070 -3.358 12.464) 12.952 7.780 ( -6.804 5.906 0.921) 9.057 7.876 ( -8.244 -2.631 -2.786) 9.091 8.177 ( -6.451 1.265 5.404) 8.510 8.248 ( -5.178 -5.469 4.501) 8.774 8.587 ( -1.766 8.852 -2.728) 9.429 8.782 ( 1.310 -9.152 -1.319) 9.339 9.222 ( 1.714 2.874 -1.221) 3.562 9.243 ( 4.119 1.369 -0.693) 4.395 9.540 ( -2.694 2.832 2.806) 4.812 9.655 ( -4.654 -7.372 1.936) 8.931 9.924 ( 6.312 5.354 -4.727) 9.532 9.956 ( 5.668 2.667 -0.936) 6.334 10.343 ( 0.657 3.984 10.535) 11.283 10.409 ( -4.163 -1.120 5.313) 6.842 11.369 ( -13.193 10.390 -5.950) 17.816 11.535 ( -13.306 -4.462 -7.749) 16.031 11.650 ( -2.824 6.194 3.823) 7.808 11.764 ( -3.286 -4.010 6.705) 8.475 11.917 ( 7.357 3.724 4.836) 9.559 12.022 ( 4.182 -4.725 -0.984) 6.386 12.463 ( -11.084 2.797 1.112) 11.486 12.537 ( -12.738 -3.623 0.714) 13.262 13.295 ( 19.834 2.903 3.283) 20.312 13.346 ( 17.804 -1.324 5.551) 18.696 14.269 ( -19.844 11.647 1.341) 23.049 14.405 ( -7.882 4.997 -0.529) 9.348 14.526 ( -19.560 -10.967 6.319) 23.298 14.646 ( -13.417 -16.148 -3.926) 21.359 15.831 ( 8.924 8.462 -0.188) 12.300 16.012 ( 8.494 -8.851 1.325) 12.339 16.297 ( 17.191 13.777 -1.526) 22.083 16.550 ( 12.676 -10.259 -4.161) 16.830 17.259 ( -3.733 6.386 17.016) 18.555 17.409 ( -1.658 -7.977 17.388) 19.202 18.102 ( 0.086 4.534 -1.637) 4.821 18.242 ( 0.716 -8.726 -1.951) 8.971 18.763 ( -11.167 6.025 3.851) 13.260 18.885 ( -9.566 -5.406 1.876) 11.147 19.910 ( 4.445 15.159 -11.706) 19.662 20.265 ( 6.719 -18.792 -19.041) 27.583 23.384 ( -3.696 11.202 13.966) 18.281 23.616 ( -1.419 -11.194 11.221) 15.913 24.703 ( 3.010 4.898 -22.750) 23.465 24.820 ( 4.633 -6.284 -22.269) 23.598 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -1.005 5.600 2.692) 6.294 1.925 ( -3.328 -10.518 2.917) 11.411 2.120 ( -0.553 2.646 -1.574) 3.128 2.189 ( -1.004 -3.883 -2.129) 4.540 2.623 ( 2.869 4.073 0.169) 4.985 2.714 ( 4.245 -2.520 1.497) 5.159 2.820 ( 2.192 8.176 -0.322) 8.471 2.941 ( -2.091 -3.674 -2.981) 5.173 2.993 ( 5.049 7.732 14.718) 17.375 3.212 ( -1.338 -8.708 11.881) 14.791 3.439 ( -1.262 5.408 10.977) 12.302 3.568 ( 0.565 -5.091 14.951) 15.804 3.840 ( 8.682 1.314 5.915) 10.587 3.941 ( 7.179 -7.874 4.103) 11.418 4.167 ( -8.315 12.282 2.005) 14.967 4.379 ( -4.105 -6.119 3.537) 8.173 4.737 ( -2.096 9.759 9.366) 13.688 4.876 ( -4.484 -3.706 10.105) 11.660 5.245 ( 5.790 1.229 -1.297) 6.060 5.275 ( 4.688 0.681 -4.707) 6.678 5.431 ( -2.650 1.176 1.991) 3.517 5.495 ( -0.366 -4.631 -1.121) 4.779 5.946 ( 3.450 3.418 -14.005) 14.823 5.951 ( 1.248 3.056 -13.264) 13.668 6.829 ( -0.866 2.295 2.435) 3.456 6.879 ( -1.674 -2.249 1.500) 3.180 7.222 ( 3.943 1.114 8.423) 9.367 7.256 ( 3.917 -1.878 6.648) 7.941 7.650 ( -7.190 4.050 1.230) 8.343 7.711 ( -7.207 -1.595 -0.750) 7.419 8.117 ( -0.242 6.521 10.057) 11.988 8.295 ( 5.607 -10.333 13.318) 17.764 8.569 ( 1.432 9.989 -6.449) 11.976 8.804 ( 1.949 -11.868 -5.514) 13.231 9.238 ( 0.653 6.854 -1.181) 6.986 9.330 ( 4.545 0.055 -1.328) 4.735 9.485 ( -4.483 1.657 6.182) 7.814 9.572 ( -4.005 -4.582 3.437) 6.989 9.994 ( 0.971 7.556 -4.738) 8.971 10.060 ( 5.330 1.165 -6.772) 8.696 10.356 ( -1.294 5.817 7.571) 9.635 10.454 ( 7.992 -4.373 7.781) 11.981 11.107 ( -11.841 7.175 -8.973) 16.499 11.237 ( -14.157 -4.998 -10.539) 18.343 11.613 ( -1.597 5.534 5.299) 7.827 11.713 ( -3.843 -4.403 5.933) 8.328 12.073 ( 5.134 5.877 4.402) 8.959 12.150 ( 9.113 -0.268 0.029) 9.117 12.281 ( -7.286 -1.223 3.836) 8.324 12.339 ( -6.851 -4.330 2.701) 8.543 13.601 ( 8.628 4.846 4.720) 10.964 13.699 ( 14.881 -3.752 5.578) 16.329 13.940 ( -12.985 8.665 1.258) 15.661 14.138 ( -16.902 -10.286 -2.205) 19.908 14.312 ( -3.764 3.501 -0.065) 5.141 14.483 ( -2.932 -12.633 -1.996) 13.121 16.010 ( 8.794 7.415 4.929) 12.514 16.167 ( 5.997 -7.392 5.156) 10.826 16.522 ( 6.467 9.400 -4.922) 12.427 16.662 ( 1.269 -3.868 -7.469) 8.506 17.240 ( -4.104 6.955 16.803) 18.643 17.424 ( -3.202 -10.474 16.098) 19.471 18.149 ( 5.248 2.733 0.201) 5.920 18.260 ( 2.209 -7.694 -1.434) 8.133 18.582 ( -8.314 7.931 3.669) 12.062 18.743 ( -5.598 -7.227 1.497) 9.264 19.925 ( 1.142 15.388 -11.563) 19.282 20.289 ( 2.587 -19.378 -19.680) 27.740 23.371 ( -2.443 12.630 14.351) 19.273 23.629 ( -1.184 -12.257 11.429) 16.801 24.687 ( 3.111 6.401 -22.810) 23.894 24.830 ( 4.030 -7.370 -22.315) 23.844 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 0.985 2.996 3.481) 4.697 1.886 ( -0.974 -9.084 1.920) 9.335 2.110 ( 0.246 2.643 -0.739) 2.756 2.166 ( -0.506 -3.112 -2.293) 3.898 2.655 ( -0.072 3.188 -0.734) 3.272 2.727 ( -7.341 3.533 3.846) 9.009 2.773 ( -1.617 4.097 -0.567) 4.441 2.929 ( 0.634 -5.357 -2.735) 6.048 3.133 ( 2.971 2.772 10.896) 11.629 3.218 ( -2.570 -4.820 11.562) 12.787 3.486 ( 1.908 6.725 11.218) 13.217 3.583 ( -3.141 -3.744 15.204) 15.970 3.900 ( -5.423 3.748 6.775) 9.453 4.030 ( 0.388 -6.344 3.880) 7.447 4.149 ( 5.081 6.106 2.406) 8.299 4.343 ( 1.110 -7.277 -1.642) 7.542 4.669 ( -7.297 11.977 11.803) 18.331 4.809 ( -5.484 -2.049 10.283) 11.832 5.228 ( -8.415 0.212 -0.757) 8.452 5.253 ( -4.638 -2.998 0.677) 5.564 5.446 ( 4.316 4.705 -2.073) 6.713 5.529 ( 4.448 -3.566 -2.228) 6.121 5.932 ( 1.009 4.955 -12.973) 13.924 5.971 ( 3.144 1.263 -12.641) 13.087 6.738 ( -8.455 0.209 3.208) 9.045 6.761 ( -9.122 -2.200 3.251) 9.931 7.299 ( -3.381 2.850 9.776) 10.729 7.332 ( 1.195 -0.881 6.210) 6.385 7.579 ( 1.801 0.965 -1.637) 2.618 7.623 ( 0.598 -3.250 -2.592) 4.200 8.238 ( 7.246 12.156 14.433) 20.213 8.484 ( 8.083 -10.751 12.659) 18.471 8.587 ( 2.460 9.813 -7.298) 12.474 8.808 ( 0.671 -10.865 -8.583) 13.863 9.232 ( -1.323 11.047 1.636) 11.246 9.394 ( 2.755 -0.376 -1.956) 3.400 9.430 ( -3.309 0.025 6.008) 6.859 9.519 ( -2.983 -5.331 1.108) 6.208 9.952 ( -3.113 5.973 -2.362) 7.138 10.054 ( -3.278 -1.627 -1.427) 3.928 10.468 ( 9.271 9.946 4.962) 14.473 10.641 ( 6.159 -6.580 5.887) 10.765 10.857 ( -8.675 5.645 -9.814) 14.263 10.979 ( -8.558 -5.693 -10.353) 14.589 11.669 ( 4.980 2.570 5.616) 7.933 11.708 ( 3.110 -1.917 7.006) 7.901 12.080 ( -2.096 8.348 5.452) 10.189 12.198 ( -3.700 -2.345 3.285) 5.476 12.342 ( 9.780 -0.550 0.422) 9.805 12.377 ( 7.556 -3.933 -1.808) 8.708 13.587 ( -8.729 7.889 8.473) 14.499 13.726 ( -11.995 -3.766 4.478) 13.346 13.833 ( -2.559 0.074 -0.486) 2.606 13.989 ( 0.793 -11.688 -1.028) 11.760 14.373 ( 12.568 8.437 -0.310) 15.140 14.572 ( 12.418 -10.858 -2.598) 16.699 16.160 ( 3.328 5.227 6.040) 8.654 16.233 ( -1.394 -0.699 4.685) 4.938 16.478 ( -8.079 5.404 -6.016) 11.431 16.584 ( -6.737 -3.437 -8.235) 11.180 17.221 ( -3.401 4.443 17.955) 18.806 17.382 ( -5.904 -10.794 16.114) 20.274 18.294 ( 9.698 0.849 -1.856) 9.910 18.340 ( 6.615 -3.418 -3.225) 8.114 18.491 ( -2.475 8.620 5.700) 10.627 18.682 ( -1.973 -9.418 3.517) 10.245 19.888 ( -0.625 15.343 -11.939) 19.451 20.243 ( -0.624 -18.610 -19.500) 26.962 23.384 ( -1.227 12.735 14.469) 19.314 23.643 ( -1.389 -12.320 11.628) 16.998 24.676 ( 3.668 6.956 -23.037) 24.342 24.828 ( 3.412 -7.658 -22.526) 24.035 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 1.069 4.447 3.462) 5.736 1.908 ( 2.001 -6.405 2.747) 7.251 2.116 ( -0.591 2.647 -1.290) 3.004 2.151 ( -0.605 -1.110 2.223) 2.557 2.576 ( -6.584 6.637 -0.359) 9.356 2.629 ( -1.670 0.274 -1.448) 2.228 2.729 ( -4.044 0.230 0.518) 4.084 2.874 ( -5.123 -11.176 -1.877) 12.436 3.152 ( -2.606 2.803 4.610) 5.991 3.211 ( -1.457 -0.121 8.004) 8.137 3.529 ( -2.539 4.372 11.277) 12.358 3.568 ( -2.979 -2.424 12.716) 13.283 3.824 ( -4.937 2.745 12.217) 13.460 4.000 ( -4.796 -9.068 6.586) 12.191 4.205 ( 0.876 6.563 -1.833) 6.870 4.371 ( 0.035 -4.762 -8.061) 9.363 4.601 ( -2.835 15.142 13.902) 20.751 4.764 ( -2.426 -1.770 10.464) 10.887 5.022 ( -11.466 3.045 1.204) 11.925 5.141 ( -6.522 -8.215 3.661) 11.110 5.539 ( 5.904 6.228 -3.465) 9.255 5.631 ( 6.690 -2.836 -2.184) 7.588 5.890 ( -1.420 6.009 -12.528) 13.967 5.964 ( -0.022 -0.682 -11.052) 11.074 6.586 ( -7.719 -0.225 3.230) 8.371 6.610 ( -7.336 -2.673 2.634) 8.241 7.207 ( -8.144 2.917 10.892) 13.910 7.258 ( -9.070 -2.331 9.521) 13.355 7.700 ( 9.257 0.468 -1.591) 9.404 7.733 ( 9.452 -3.162 -2.883) 10.375 8.418 ( 6.171 12.199 11.927) 18.142 8.557 ( -0.779 3.787 -5.779) 6.953 8.676 ( 5.132 -2.335 9.086) 10.693 8.777 ( -0.471 -7.056 -10.423) 12.595 9.210 ( -1.476 12.226 1.305) 12.384 9.370 ( -4.033 -0.687 1.799) 4.469 9.426 ( 0.940 -2.577 -0.160) 2.747 9.480 ( -0.458 -5.304 -2.485) 5.876 9.885 ( -3.614 3.473 1.964) 5.383 9.987 ( -3.393 -3.058 4.864) 6.672 10.538 ( -10.313 4.592 0.080) 11.290 10.598 ( -1.459 -0.305 3.630) 3.924 10.890 ( 9.276 3.279 -3.376) 10.402 10.982 ( 12.774 -4.376 -2.177) 13.678 11.772 ( 4.115 5.250 4.323) 7.949 11.858 ( 5.577 -2.859 7.586) 9.840 12.116 ( 3.368 5.997 1.624) 7.067 12.193 ( 5.039 -0.926 3.851) 6.409 12.480 ( 3.908 -0.711 -1.384) 4.207 12.489 ( 4.562 -2.643 -4.986) 7.256 13.396 ( -13.973 3.453 6.030) 15.605 13.447 ( -18.084 -1.291 1.875) 18.226 13.884 ( 10.932 6.317 3.016) 12.981 14.129 ( 14.884 -16.709 3.278) 22.616 14.683 ( 17.433 7.341 0.671) 18.927 14.842 ( 14.595 -8.218 -1.649) 16.831 16.011 ( -16.692 13.618 -3.520) 21.828 16.210 ( -6.340 -4.065 2.177) 7.839 16.296 ( -8.724 -0.113 1.348) 8.828 16.345 ( -14.026 -5.783 -7.502) 16.925 17.229 ( -2.229 3.050 19.017) 19.388 17.352 ( -2.686 -8.195 17.952) 19.916 18.372 ( -1.964 5.330 -3.725) 6.793 18.442 ( 4.733 -1.573 -7.055) 8.640 18.601 ( 10.739 1.849 5.693) 12.294 18.712 ( 5.194 -8.551 7.949) 12.778 19.840 ( 0.044 13.754 -12.473) 18.567 20.147 ( -2.810 -15.864 -18.509) 24.538 23.412 ( -0.843 11.463 14.249) 18.307 23.647 ( -2.176 -11.324 11.659) 16.398 24.679 ( 4.525 6.217 -23.239) 24.478 24.816 ( 3.119 -7.032 -22.758) 24.023 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -2.605 9.157 2.802) 9.925 1.942 ( -0.388 -5.369 4.020) 6.719 2.062 ( -2.651 7.615 -3.270) 8.701 2.166 ( 0.128 -2.477 5.133) 5.700 2.490 ( -2.550 4.040 -1.180) 4.921 2.573 ( -5.325 -2.477 0.537) 5.897 2.691 ( 2.601 -0.111 1.303) 2.911 2.798 ( -1.006 -10.714 -0.655) 10.781 3.118 ( -1.086 2.488 -0.631) 2.788 3.200 ( -1.523 -3.773 3.094) 5.112 3.466 ( -7.274 6.309 12.160) 15.511 3.542 ( -3.715 -3.023 8.955) 10.155 3.772 ( -5.433 -1.535 13.024) 14.195 3.901 ( -7.961 -9.867 7.560) 14.761 4.205 ( 0.453 6.745 -3.409) 7.571 4.294 ( -3.696 0.179 -4.527) 5.847 4.620 ( -0.182 15.982 9.579) 18.634 4.776 ( 0.199 -1.740 6.513) 6.744 4.860 ( -5.871 5.622 3.868) 9.002 5.070 ( -2.624 -11.828 6.592) 13.793 5.627 ( 4.114 7.410 -4.940) 9.810 5.739 ( 3.165 -3.012 -3.471) 5.580 5.812 ( -0.213 6.876 -11.628) 13.510 5.916 ( -0.586 -2.422 -9.060) 9.397 6.488 ( -3.540 0.510 3.863) 5.264 6.519 ( -3.029 -2.283 3.162) 4.938 7.095 ( -6.960 1.217 9.686) 11.989 7.126 ( -6.912 -2.548 9.314) 11.876 7.855 ( 6.598 0.999 -0.071) 6.673 7.897 ( 7.612 -3.381 -1.017) 8.390 8.491 ( -3.074 6.813 -4.011) 8.483 8.539 ( 1.859 6.624 10.211) 12.312 8.730 ( -0.884 -3.804 -10.011) 10.746 8.756 ( 0.492 -2.694 7.073) 7.585 9.166 ( -2.768 13.396 -3.147) 14.036 9.340 ( -0.543 -3.318 3.146) 4.604 9.416 ( -0.525 -1.902 -1.403) 2.422 9.499 ( 3.749 -7.935 -4.424) 9.828 9.851 ( -1.008 4.713 5.658) 7.432 9.962 ( -1.716 -3.754 6.272) 7.508 10.384 ( -6.445 7.012 4.067) 10.356 10.517 ( -5.289 -5.265 4.151) 8.540 11.143 ( 14.607 6.508 2.657) 16.210 11.253 ( 14.773 -3.716 1.588) 15.316 11.804 ( -1.769 5.931 1.533) 6.376 11.894 ( -2.912 -2.227 1.946) 4.151 12.242 ( 11.114 10.025 0.683) 14.983 12.370 ( 4.317 1.389 8.059) 9.247 12.470 ( -3.621 -0.911 -3.869) 5.377 12.523 ( 3.760 -8.323 -5.882) 10.863 13.092 ( -17.103 2.264 -0.892) 17.275 13.150 ( -12.729 -2.348 1.455) 13.025 14.262 ( 25.058 9.458 6.575) 27.579 14.517 ( 21.031 -14.670 6.799) 26.528 14.976 ( 11.887 2.762 0.891) 12.236 15.027 ( 2.414 -2.048 0.824) 3.271 15.685 ( -12.057 11.988 -4.871) 17.687 15.921 ( -17.099 -10.213 -6.108) 20.833 16.108 ( -9.917 -0.501 -3.324) 10.471 16.146 ( -10.139 -3.993 2.650) 11.215 17.256 ( -1.729 4.097 19.450) 19.951 17.372 ( -2.075 -6.554 18.359) 19.604 18.304 ( -3.189 5.135 -4.945) 7.810 18.406 ( -4.074 -4.447 -7.898) 9.938 18.836 ( 10.639 2.138 6.357) 12.577 18.911 ( 9.894 -5.433 10.048) 15.112 19.818 ( 2.110 9.756 -14.359) 17.487 20.037 ( -1.543 -11.563 -17.589) 21.106 23.437 ( -1.530 9.517 13.855) 16.878 23.636 ( -2.907 -9.780 11.520) 15.388 24.696 ( 5.081 4.520 -23.272) 24.245 24.802 ( 3.230 -5.758 -22.859) 23.793 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 13.317 0.000 13.605) 19.038 1.470 ( -13.097 0.000 -5.713) 14.288 1.872 ( 0.864 0.000 29.181) 29.194 2.321 ( -6.638 0.000 -2.954) 7.266 2.334 ( 7.258 0.000 1.942) 7.513 2.435 ( -2.946 0.000 -21.737) 21.936 2.866 ( 1.839 0.000 3.063) 3.573 2.889 ( -5.641 0.000 3.262) 6.516 3.165 ( 1.907 0.000 6.478) 6.753 3.274 ( 1.232 0.000 -6.355) 6.473 3.466 ( 6.486 0.000 31.067) 31.737 4.009 ( -9.456 0.000 -22.248) 24.174 4.274 ( 0.470 0.000 13.381) 13.389 4.389 ( -4.147 0.000 9.346) 10.225 4.418 ( -3.155 0.000 -3.397) 4.636 4.475 ( -2.710 0.000 16.033) 16.260 4.629 ( 9.636 0.000 -14.062) 17.047 4.688 ( -3.111 0.000 26.167) 26.351 4.721 ( 1.318 0.000 8.698) 8.797 4.820 ( -1.045 0.000 -15.727) 15.762 4.908 ( -0.148 0.000 -16.113) 16.114 5.140 ( 2.892 0.000 -18.837) 19.057 5.646 ( 9.798 0.000 0.574) 9.815 5.661 ( -7.616 0.000 0.110) 7.617 6.390 ( 0.690 0.000 6.127) 6.166 6.504 ( -0.147 0.000 -5.309) 5.311 7.293 ( 4.486 0.000 6.028) 7.514 7.368 ( -0.337 0.000 -0.988) 1.044 7.878 ( -2.056 0.000 1.198) 2.380 7.930 ( 0.705 0.000 -4.533) 4.587 7.989 ( 8.365 0.000 -0.345) 8.372 8.021 ( -9.412 0.000 -3.128) 9.918 8.365 ( -4.372 0.000 0.287) 4.382 8.376 ( 4.982 0.000 -0.878) 5.058 9.203 ( 5.197 0.000 10.309) 11.544 9.407 ( -4.016 0.000 -10.675) 11.405 9.572 ( 2.715 0.000 1.103) 2.930 9.595 ( -6.758 0.000 0.071) 6.759 9.910 ( -0.781 0.000 19.305) 19.321 9.970 ( 3.655 0.000 6.484) 7.443 10.116 ( -2.024 0.000 -8.236) 8.481 10.302 ( 6.915 0.000 -20.955) 22.066 11.099 ( 8.867 0.000 11.923) 14.859 11.330 ( -11.582 0.000 -12.098) 16.749 11.522 ( -7.365 0.000 7.972) 10.853 11.639 ( 0.196 0.000 -4.044) 4.049 11.887 ( -8.418 0.000 9.394) 12.614 12.056 ( 8.940 0.000 -7.617) 11.745 12.824 ( 10.419 0.000 5.862) 11.955 12.950 ( -14.683 0.000 -6.066) 15.887 13.201 ( -1.113 0.000 6.394) 6.490 13.253 ( -0.715 0.000 0.797) 1.071 13.651 ( 4.233 0.000 -0.676) 4.287 13.697 ( -6.928 0.000 -5.083) 8.592 15.138 ( 2.663 0.000 3.107) 4.092 15.158 ( 5.620 0.000 1.521) 5.822 15.839 ( 8.152 0.000 3.933) 9.052 15.948 ( -8.955 0.000 -7.641) 11.772 16.421 ( -2.055 0.000 12.366) 12.536 16.635 ( 3.414 0.000 -9.928) 10.498 17.640 ( -10.558 0.000 14.235) 17.723 17.867 ( 10.218 0.000 -8.088) 13.032 18.327 ( 9.924 0.000 -1.099) 9.985 18.330 ( -11.724 0.000 -2.465) 11.980 19.134 ( -1.644 0.000 10.038) 10.172 19.328 ( -2.852 0.000 -10.265) 10.654 19.864 ( 1.265 0.000 26.628) 26.658 20.411 ( 4.379 0.000 -30.901) 31.210 23.784 ( -6.111 0.000 23.473) 24.255 24.195 ( 7.097 0.000 -20.321) 21.525 24.315 ( -0.888 0.000 17.509) 17.531 24.696 ( 1.556 0.000 -21.832) 21.888 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -3.437 0.000 -2.778) 4.419 1.651 ( 19.348 0.000 9.725) 21.654 1.999 ( 3.588 0.000 22.507) 22.791 2.152 ( -9.819 0.000 3.990) 10.599 2.361 ( 3.086 0.000 -25.174) 25.363 2.469 ( 5.466 0.000 4.631) 7.165 2.811 ( -3.196 0.000 -2.137) 3.844 2.922 ( 2.504 0.000 7.260) 7.680 3.302 ( 1.394 0.000 -7.032) 7.169 3.303 ( 8.891 0.000 3.742) 9.646 3.712 ( 7.438 0.000 35.587) 36.356 3.831 ( 0.226 0.000 -21.802) 21.803 4.173 ( -11.065 0.000 14.075) 17.904 4.218 ( -12.625 0.000 -7.078) 14.474 4.332 ( -4.967 0.000 5.067) 7.096 4.461 ( -4.178 0.000 17.898) 18.379 4.659 ( -6.238 0.000 24.623) 25.401 4.687 ( 0.942 0.000 -18.353) 18.377 4.832 ( 8.503 0.000 -7.477) 11.323 4.920 ( 9.206 0.000 13.825) 16.610 4.959 ( 7.047 0.000 -16.866) 18.279 5.143 ( 4.713 0.000 -21.484) 21.994 5.500 ( -7.905 0.000 -1.774) 8.102 5.786 ( 4.114 0.000 -1.755) 4.472 6.494 ( 7.471 0.000 6.492) 9.898 6.558 ( 7.673 0.000 -6.131) 9.821 7.380 ( 2.382 0.000 -4.877) 5.427 7.401 ( 4.990 0.000 2.525) 5.592 7.776 ( -12.704 0.000 0.807) 12.730 7.846 ( -3.026 0.000 -2.453) 3.895 7.878 ( -5.104 0.000 -1.328) 5.274 8.109 ( 3.093 0.000 0.899) 3.221 8.280 ( -3.175 0.000 -0.240) 3.184 8.449 ( 2.497 0.000 -1.009) 2.693 9.283 ( -4.829 0.000 -9.983) 11.090 9.337 ( 5.250 0.000 8.495) 9.986 9.416 ( -11.988 0.000 7.653) 14.223 9.601 ( 0.092 0.000 -0.258) 0.274 9.908 ( -7.406 0.000 5.227) 9.065 10.034 ( -1.628 0.000 -4.280) 4.579 10.062 ( 3.347 0.000 4.188) 5.361 10.310 ( 0.037 0.000 -22.552) 22.552 10.967 ( -15.087 0.000 -10.516) 18.390 11.004 ( -11.538 0.000 23.945) 26.580 11.666 ( 2.784 0.000 6.786) 7.335 11.745 ( 6.617 0.000 -1.479) 6.780 11.787 ( 0.817 0.000 12.576) 12.602 12.190 ( 7.588 0.000 -8.590) 11.462 12.731 ( -5.759 0.000 -3.114) 6.547 12.937 ( -2.789 0.000 5.412) 6.088 13.277 ( 5.163 0.000 3.472) 6.222 13.412 ( 15.482 0.000 5.903) 16.569 13.598 ( -0.504 0.000 1.476) 1.559 13.791 ( 9.779 0.000 1.265) 9.860 15.173 ( 1.620 0.000 -2.815) 3.247 15.294 ( 8.498 0.000 -9.658) 12.864 15.744 ( -8.110 0.000 -2.994) 8.645 15.979 ( 2.175 0.000 2.319) 3.180 16.395 ( -2.320 0.000 11.977) 12.199 16.611 ( -2.916 0.000 -12.464) 12.801 17.493 ( -9.044 0.000 14.703) 17.262 18.037 ( 9.790 0.000 -10.614) 14.440 18.152 ( -4.940 0.000 2.296) 5.448 18.535 ( 10.447 0.000 0.443) 10.456 19.028 ( -12.125 0.000 11.487) 16.703 19.118 ( -14.350 0.000 -4.338) 14.992 20.016 ( 4.258 0.000 23.574) 23.955 20.455 ( 10.438 0.000 -35.110) 36.628 23.650 ( -14.119 0.000 24.225) 28.039 24.195 ( 0.109 0.000 -23.026) 23.027 24.376 ( 0.444 0.000 16.653) 16.659 24.679 ( 4.334 0.000 -21.220) 21.658 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 5.110 0.000 5.183) 7.278 1.952 ( -3.039 0.000 8.480) 9.008 2.076 ( 13.057 0.000 -3.249) 13.455 2.151 ( 6.018 0.000 15.034) 16.194 2.386 ( 6.475 0.000 -14.682) 16.047 2.577 ( 4.105 0.000 5.545) 6.899 2.754 ( -0.749 0.000 -9.087) 9.118 2.938 ( -5.572 0.000 8.447) 10.120 3.227 ( -5.974 0.000 -6.146) 8.571 3.422 ( 0.826 0.000 -1.569) 1.773 3.905 ( -2.566 0.000 34.507) 34.602 3.908 ( 12.788 0.000 -19.634) 23.431 4.031 ( -1.449 0.000 -7.836) 7.969 4.056 ( -4.406 0.000 18.609) 19.123 4.266 ( -2.081 0.000 4.560) 5.013 4.454 ( -2.704 0.000 20.802) 20.977 4.617 ( -6.774 0.000 26.714) 27.559 4.637 ( 0.323 0.000 -17.336) 17.339 4.967 ( 7.509 0.000 -16.546) 18.171 5.015 ( 4.500 0.000 -8.903) 9.976 5.078 ( 2.525 0.000 14.025) 14.250 5.179 ( 5.975 0.000 -23.323) 24.076 5.386 ( -2.877 0.000 -1.505) 3.247 5.779 ( -3.368 0.000 -4.930) 5.971 6.678 ( 8.402 0.000 7.842) 11.493 6.729 ( 11.471 0.000 -6.394) 13.133 7.419 ( 3.834 0.000 -8.158) 9.014 7.430 ( -9.001 0.000 7.742) 11.872 7.572 ( -2.671 0.000 -0.463) 2.711 7.735 ( -9.770 0.000 2.327) 10.044 7.817 ( 0.920 0.000 -5.079) 5.162 8.082 ( -4.041 0.000 -3.010) 5.039 8.290 ( 2.355 0.000 3.654) 4.347 8.465 ( 0.207 0.000 -2.411) 2.420 9.183 ( -2.408 0.000 -7.342) 7.726 9.227 ( -9.737 0.000 9.004) 13.262 9.447 ( 2.299 0.000 9.030) 9.318 9.571 ( -2.299 0.000 -4.395) 4.960 9.708 ( -10.671 0.000 -0.893) 10.708 10.006 ( -3.075 0.000 2.452) 3.933 10.096 ( -7.797 0.000 -14.031) 16.052 10.104 ( -3.039 0.000 -11.341) 11.741 10.890 ( 7.824 0.000 -3.554) 8.593 11.006 ( 1.517 0.000 29.335) 29.374 11.544 ( -9.898 0.000 3.808) 10.605 11.808 ( 1.245 0.000 -5.988) 6.116 11.967 ( 6.116 0.000 13.742) 15.042 12.277 ( 3.920 0.000 -7.650) 8.596 12.685 ( 1.461 0.000 -4.331) 4.571 12.845 ( -6.576 0.000 4.587) 8.018 13.402 ( 7.279 0.000 0.030) 7.279 13.508 ( -1.602 0.000 6.684) 6.874 13.877 ( 17.625 0.000 10.027) 20.278 13.997 ( 11.018 0.000 0.372) 11.024 15.193 ( 0.678 0.000 -0.973) 1.185 15.297 ( -2.751 0.000 -19.021) 19.219 15.777 ( 11.467 0.000 3.812) 12.084 15.881 ( -10.447 0.000 2.118) 10.659 16.442 ( -9.765 0.000 -13.795) 16.901 16.449 ( 2.143 0.000 6.011) 6.381 17.437 ( -1.544 0.000 19.630) 19.691 18.105 ( 4.446 0.000 -7.917) 9.080 18.231 ( 7.883 0.000 2.140) 8.168 18.671 ( 2.448 0.000 0.792) 2.573 18.791 ( -15.438 0.000 9.190) 17.966 18.847 ( -11.193 0.000 -2.338) 11.435 20.128 ( -0.726 0.000 22.192) 22.204 20.541 ( 9.988 0.000 -34.857) 36.260 23.466 ( -13.259 0.000 27.888) 30.880 24.081 ( -2.295 0.000 -27.902) 27.996 24.423 ( -0.940 0.000 15.319) 15.347 24.712 ( 5.585 0.000 -19.691) 20.468 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 6.056 0.000 12.788) 14.150 1.815 ( -9.004 0.000 -1.185) 9.082 2.310 ( 6.283 0.000 8.309) 10.417 2.355 ( 12.585 0.000 -3.248) 12.997 2.509 ( 8.478 0.000 -0.146) 8.479 2.604 ( -5.908 0.000 6.004) 8.424 2.741 ( 4.505 0.000 -14.866) 15.534 2.764 ( -12.513 0.000 1.662) 12.622 3.141 ( 0.795 0.000 -0.287) 0.845 3.313 ( -9.802 0.000 -2.213) 10.049 3.835 ( -12.091 0.000 21.277) 24.472 4.031 ( 8.859 0.000 -14.717) 17.177 4.052 ( -6.832 0.000 28.242) 29.057 4.193 ( 14.732 0.000 -7.732) 16.637 4.297 ( 1.760 0.000 5.567) 5.839 4.498 ( -0.867 0.000 23.991) 24.006 4.593 ( 1.425 0.000 -19.066) 19.119 4.598 ( -4.018 0.000 27.259) 27.554 4.961 ( 0.581 0.000 -19.848) 19.857 5.113 ( 6.117 0.000 -9.855) 11.599 5.113 ( -2.552 0.000 9.953) 10.275 5.193 ( 3.195 0.000 -19.141) 19.406 5.402 ( 4.453 0.000 1.900) 4.841 5.653 ( -7.062 0.000 -7.621) 10.390 6.813 ( 1.498 0.000 9.036) 9.160 6.906 ( 8.279 0.000 -6.422) 10.477 7.214 ( -12.795 0.000 16.067) 20.539 7.465 ( 4.231 0.000 -13.025) 13.695 7.560 ( -8.995 0.000 7.614) 11.785 7.610 ( 3.737 0.000 -1.122) 3.901 7.848 ( 4.104 0.000 -5.938) 7.218 7.983 ( -4.616 0.000 -5.423) 7.122 8.342 ( 1.104 0.000 5.160) 5.277 8.458 ( 0.105 0.000 -3.626) 3.628 9.124 ( -3.298 0.000 5.396) 6.324 9.152 ( 1.372 0.000 -5.590) 5.756 9.426 ( -7.997 0.000 8.469) 11.648 9.523 ( 0.657 0.000 -7.333) 7.362 9.598 ( -0.390 0.000 3.183) 3.207 9.860 ( -6.285 0.000 -15.569) 16.790 9.936 ( -5.199 0.000 7.785) 9.361 10.102 ( 1.668 0.000 -8.544) 8.705 11.100 ( 12.847 0.000 0.070) 12.847 11.186 ( 6.716 0.000 24.085) 25.004 11.360 ( -10.408 0.000 3.417) 10.954 11.767 ( -1.627 0.000 -14.024) 14.118 12.089 ( 3.149 0.000 11.063) 11.502 12.277 ( -1.378 0.000 -5.207) 5.387 12.736 ( 4.722 0.000 -3.809) 6.067 12.755 ( -4.315 0.000 3.449) 5.524 13.491 ( -3.027 0.000 8.102) 8.649 13.537 ( 7.143 0.000 -3.309) 7.872 14.124 ( 4.667 0.000 7.792) 9.082 14.187 ( 8.956 0.000 -2.767) 9.373 15.136 ( -8.860 0.000 5.854) 10.620 15.218 ( 1.939 0.000 -13.258) 13.399 15.754 ( -0.971 0.000 4.514) 4.617 15.993 ( 2.942 0.000 -6.083) 6.757 16.254 ( 0.625 0.000 -5.257) 5.294 16.423 ( -6.093 0.000 -1.860) 6.370 17.576 ( 7.633 0.000 24.754) 25.904 18.137 ( -1.329 0.000 -12.469) 12.540 18.399 ( 8.744 0.000 5.398) 10.276 18.577 ( -6.915 0.000 7.598) 10.273 18.609 ( -5.898 0.000 2.033) 6.239 18.723 ( -3.426 0.000 -6.174) 7.061 20.133 ( -6.011 0.000 22.379) 23.172 20.597 ( 7.326 0.000 -31.935) 32.764 23.352 ( -8.635 0.000 31.308) 32.477 23.966 ( 0.651 0.000 -29.885) 29.893 24.441 ( -2.214 0.000 14.370) 14.539 24.750 ( 4.876 0.000 -19.263) 19.871 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 3.260 0.000 18.965) 19.244 1.608 ( -12.427 0.000 -2.872) 12.755 2.373 ( -6.085 0.000 -6.618) 8.990 2.432 ( -10.902 0.000 12.644) 16.695 2.477 ( 2.697 0.000 -9.799) 10.163 2.564 ( -4.032 0.000 0.441) 4.056 2.650 ( 4.755 0.000 2.840) 5.538 2.889 ( 14.846 0.000 -9.075) 17.400 3.122 ( -8.066 0.000 1.490) 8.203 3.253 ( 7.948 0.000 3.954) 8.877 3.615 ( -18.838 0.000 27.942) 33.699 3.980 ( -7.417 0.000 13.159) 15.105 4.178 ( 10.982 0.000 -14.117) 17.886 4.331 ( -0.446 0.000 10.060) 10.070 4.358 ( 2.671 0.000 -4.137) 4.924 4.559 ( -1.255 0.000 24.111) 24.144 4.585 ( 4.950 0.000 -23.444) 23.961 4.619 ( -4.031 0.000 27.784) 28.075 4.895 ( -0.292 0.000 -20.131) 20.133 5.056 ( -5.849 0.000 5.633) 8.120 5.112 ( 1.279 0.000 -22.761) 22.797 5.240 ( 4.805 0.000 -3.154) 5.748 5.490 ( -6.749 0.000 -9.543) 11.688 5.539 ( 7.693 0.000 4.989) 9.169 6.756 ( -9.186 0.000 9.198) 12.999 6.942 ( -3.552 0.000 -4.889) 6.044 7.126 ( -3.875 0.000 21.239) 21.590 7.473 ( 1.707 0.000 -0.097) 1.710 7.515 ( 1.500 0.000 -4.289) 4.543 7.696 ( 6.245 0.000 -2.923) 6.895 7.894 ( -2.016 0.000 -7.595) 7.858 7.927 ( 5.273 0.000 -2.034) 5.651 8.368 ( 0.393 0.000 5.283) 5.298 8.436 ( -1.144 0.000 -3.964) 4.126 9.112 ( -1.061 0.000 -2.064) 2.321 9.204 ( 5.969 0.000 -5.522) 8.131 9.338 ( -0.459 0.000 13.408) 13.416 9.568 ( 5.140 0.000 -3.031) 5.967 9.641 ( 2.263 0.000 6.734) 7.104 9.740 ( -1.949 0.000 -13.661) 13.799 9.884 ( -3.509 0.000 12.795) 13.268 10.118 ( 2.951 0.000 -9.576) 10.020 11.123 ( -12.152 0.000 -1.138) 12.205 11.331 ( 10.881 0.000 0.155) 10.882 11.426 ( 7.570 0.000 20.655) 21.998 11.678 ( -0.991 0.000 -21.480) 21.503 12.163 ( 1.056 0.000 8.292) 8.359 12.221 ( -2.790 0.000 -2.897) 4.022 12.683 ( -4.325 0.000 1.121) 4.468 12.821 ( 5.316 0.000 -3.455) 6.340 13.440 ( -4.763 0.000 6.584) 8.126 13.633 ( 4.296 0.000 -6.481) 7.776 14.127 ( -4.808 0.000 3.851) 6.160 14.276 ( 0.494 0.000 -8.086) 8.101 14.961 ( -9.432 0.000 13.538) 16.500 15.248 ( 1.271 0.000 -6.171) 6.301 15.855 ( 6.534 0.000 7.591) 10.016 15.886 ( -1.723 0.000 -9.096) 9.258 16.234 ( -11.078 0.000 -3.476) 11.610 16.420 ( 10.196 0.000 -1.022) 10.247 17.793 ( 4.393 0.000 22.951) 23.368 17.952 ( -10.318 0.000 -13.973) 17.370 18.508 ( -7.211 0.000 -4.520) 8.511 18.574 ( 6.927 0.000 5.531) 8.864 18.611 ( 6.015 0.000 4.437) 7.475 18.686 ( 6.049 0.000 -3.354) 6.917 20.059 ( -9.526 0.000 24.451) 26.241 20.612 ( 4.441 0.000 -28.087) 28.436 23.350 ( -2.595 0.000 34.429) 34.526 23.926 ( 5.260 0.000 -28.793) 29.269 24.431 ( -3.602 0.000 13.659) 14.126 24.769 ( 3.765 0.000 -19.509) 19.869 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -15.077 0.000 2.071) 15.219 1.703 ( -0.791 0.000 25.777) 25.789 2.143 ( -16.246 0.000 -4.337) 16.815 2.236 ( -5.870 0.000 2.028) 6.211 2.454 ( 0.500 0.000 -15.716) 15.724 2.645 ( 6.834 0.000 2.961) 7.448 2.665 ( -2.953 0.000 -3.357) 4.471 3.041 ( 0.164 0.000 7.988) 7.990 3.177 ( 11.595 0.000 -7.332) 13.718 3.356 ( -17.514 0.000 35.412) 39.506 3.377 ( 2.282 0.000 2.723) 3.553 3.896 ( -2.078 0.000 6.375) 6.705 4.314 ( 3.313 0.000 -11.765) 12.222 4.350 ( 5.189 0.000 -5.732) 7.732 4.365 ( 0.281 0.000 12.952) 12.955 4.536 ( -2.873 0.000 -25.657) 25.818 4.568 ( -6.434 0.000 22.585) 23.484 4.633 ( -3.413 0.000 28.012) 28.219 4.842 ( 1.969 0.000 -20.904) 20.996 4.941 ( -7.760 0.000 4.737) 9.092 5.091 ( 4.224 0.000 -20.942) 21.364 5.322 ( -0.880 0.000 4.303) 4.392 5.343 ( -0.534 0.000 -14.266) 14.276 5.684 ( 5.084 0.000 5.629) 7.585 6.592 ( -10.355 0.000 7.777) 12.950 6.780 ( -10.266 0.000 -3.421) 10.821 7.147 ( -1.201 0.000 18.789) 18.827 7.466 ( -3.887 0.000 4.817) 6.190 7.614 ( 10.262 0.000 -6.607) 12.205 7.815 ( 6.408 0.000 -3.125) 7.130 7.871 ( 2.308 0.000 -8.602) 8.907 8.021 ( 4.658 0.000 2.758) 5.414 8.391 ( -1.972 0.000 -6.377) 6.675 8.402 ( 1.291 0.000 3.898) 4.106 9.063 ( -2.288 0.000 5.204) 5.685 9.323 ( 7.782 0.000 -4.455) 8.967 9.518 ( 11.912 0.000 2.934) 12.268 9.608 ( -2.208 0.000 -1.408) 2.618 9.729 ( 4.140 0.000 15.379) 15.927 9.748 ( 8.138 0.000 -9.755) 12.704 9.904 ( 1.950 0.000 15.238) 15.362 10.147 ( 3.736 0.000 -10.980) 11.599 10.892 ( -10.551 0.000 -2.353) 10.810 11.461 ( 2.780 0.000 -13.205) 13.494 11.605 ( 4.688 0.000 14.726) 15.454 11.646 ( 5.779 0.000 -12.759) 14.007 12.138 ( -5.666 0.000 -3.198) 6.506 12.158 ( -4.537 0.000 6.283) 7.750 12.620 ( -1.748 0.000 1.192) 2.116 12.917 ( 6.038 0.000 -3.011) 6.747 13.368 ( -4.220 0.000 3.400) 5.419 13.646 ( -0.564 0.000 -7.843) 7.864 14.013 ( -7.300 0.000 -0.532) 7.319 14.096 ( -16.173 0.000 -13.225) 20.892 14.938 ( 0.627 0.000 18.575) 18.585 15.173 ( -6.156 0.000 0.538) 6.180 15.847 ( -8.732 0.000 -3.623) 9.454 15.960 ( 9.162 0.000 -5.907) 10.901 16.184 ( 6.007 0.000 12.343) 13.728 16.548 ( 4.291 0.000 -4.632) 6.314 17.760 ( -4.009 0.000 -12.968) 13.573 17.845 ( -4.760 0.000 17.234) 17.879 18.330 ( -7.734 0.000 -6.187) 9.904 18.646 ( -1.198 0.000 2.613) 2.875 18.790 ( 10.973 0.000 3.567) 11.538 18.937 ( 18.706 0.000 -4.834) 19.321 19.945 ( -10.962 0.000 27.411) 29.522 20.579 ( 1.017 0.000 -25.405) 25.426 23.477 ( 3.828 0.000 35.651) 35.856 23.976 ( 9.175 0.000 -25.863) 27.442 24.392 ( -5.190 0.000 13.464) 14.430 24.766 ( 2.641 0.000 -20.028) 20.202 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -4.283 0.000 11.208) 11.998 1.738 ( -6.877 0.000 11.837) 13.690 1.828 ( -12.284 0.000 14.988) 19.379 2.222 ( 3.511 0.000 -0.977) 3.644 2.409 ( 0.043 0.000 -17.272) 17.272 2.565 ( -5.082 0.000 -7.064) 8.702 2.784 ( 6.366 0.000 1.306) 6.499 3.008 ( -7.653 0.000 8.496) 11.434 3.206 ( -5.756 0.000 3.321) 6.645 3.291 ( 1.066 0.000 25.863) 25.885 3.338 ( -4.995 0.000 -2.002) 5.381 4.048 ( 13.491 0.000 9.990) 16.787 4.269 ( -9.019 0.000 -18.898) 20.940 4.371 ( 4.750 0.000 -4.402) 6.476 4.414 ( -0.172 0.000 11.768) 11.769 4.496 ( -7.490 0.000 22.026) 23.265 4.510 ( 8.684 0.000 -18.156) 20.126 4.655 ( -3.843 0.000 27.185) 27.455 4.805 ( -7.910 0.000 5.273) 9.506 4.828 ( 3.518 0.000 -20.461) 20.762 5.082 ( -3.160 0.000 -18.017) 18.292 5.164 ( -3.715 0.000 -10.808) 11.428 5.462 ( 8.617 0.000 0.111) 8.617 5.742 ( -1.079 0.000 3.816) 3.966 6.438 ( -7.363 0.000 5.831) 9.392 6.592 ( -7.284 0.000 -3.858) 8.242 7.203 ( 1.793 0.000 12.656) 12.782 7.402 ( -3.393 0.000 2.391) 4.151 7.804 ( 10.696 0.000 -2.346) 10.950 7.885 ( 1.512 0.000 -0.683) 1.659 7.908 ( 3.759 0.000 -7.881) 8.731 8.108 ( 1.793 0.000 1.594) 2.399 8.330 ( -0.863 0.000 -5.628) 5.694 8.417 ( -1.267 0.000 2.221) 2.557 9.092 ( 2.622 0.000 9.629) 9.980 9.444 ( 4.981 0.000 -3.996) 6.386 9.544 ( -1.809 0.000 -4.962) 5.282 9.643 ( 2.186 0.000 -4.413) 4.924 9.853 ( 0.257 0.000 23.315) 23.316 9.881 ( 5.470 0.000 1.608) 5.701 10.086 ( 8.483 0.000 5.163) 9.931 10.208 ( 7.876 0.000 -16.095) 17.919 10.814 ( 6.450 0.000 4.353) 7.782 11.414 ( 0.899 0.000 -19.185) 19.206 11.667 ( -3.239 0.000 7.402) 8.079 11.744 ( 1.559 0.000 -2.676) 3.097 11.994 ( -4.371 0.000 -7.078) 8.319 12.036 ( -9.872 0.000 7.164) 12.198 12.654 ( 4.902 0.000 3.335) 5.929 13.020 ( 5.062 0.000 -2.452) 5.625 13.304 ( -3.448 0.000 0.657) 3.510 13.519 ( -18.917 0.000 -6.705) 20.070 13.679 ( -11.628 0.000 -6.937) 13.540 13.859 ( -7.887 0.000 -5.159) 9.424 15.045 ( 3.721 0.000 14.789) 15.250 15.102 ( -1.251 0.000 4.690) 4.854 15.739 ( 0.400 0.000 -1.216) 1.280 16.059 ( 0.921 0.000 -5.928) 6.000 16.351 ( 4.812 0.000 14.576) 15.350 16.588 ( 3.582 0.000 -8.303) 9.043 17.739 ( 5.408 0.000 -10.017) 11.384 17.772 ( -8.125 0.000 15.450) 17.456 18.232 ( 0.247 0.000 -4.388) 4.395 18.546 ( -9.154 0.000 -1.242) 9.237 19.016 ( 9.980 0.000 6.021) 11.656 19.246 ( 14.269 0.000 -11.100) 18.078 19.845 ( -8.246 0.000 28.910) 30.063 20.487 ( -1.350 0.000 -25.935) 25.970 23.689 ( 5.366 0.000 30.894) 31.356 24.089 ( 10.412 0.000 -22.356) 24.662 24.330 ( -5.635 0.000 14.835) 15.870 24.739 ( 1.551 0.000 -20.820) 20.878 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 11.278 2.907 13.904) 18.138 1.512 ( -11.189 3.415 -6.301) 13.287 1.926 ( 0.940 5.267 22.466) 23.095 2.285 ( 3.061 -0.759 -7.633) 8.259 2.361 ( -6.253 0.439 2.675) 6.816 2.453 ( 1.146 -0.159 -13.250) 13.300 2.913 ( 3.410 3.907 3.132) 6.058 2.935 ( -7.082 4.798 3.482) 9.236 3.236 ( 2.114 5.947 4.921) 8.003 3.355 ( 1.186 6.500 -7.011) 9.634 3.535 ( 4.896 7.629 31.472) 32.752 3.987 ( -5.211 -5.594 -11.509) 13.816 4.022 ( -4.621 -18.047 6.224) 19.641 4.093 ( -0.090 -14.461 -2.398) 14.659 4.389 ( -3.379 -5.084 4.266) 7.447 4.434 ( 5.503 -11.603 4.878) 13.738 4.570 ( -8.051 -3.540 3.751) 9.561 4.589 ( 2.768 -2.472 2.814) 4.657 4.802 ( 4.994 9.696 4.218) 11.694 4.984 ( -1.487 6.172 0.554) 6.373 5.038 ( 0.343 9.587 -13.398) 16.478 5.222 ( 0.718 5.005 -14.743) 15.585 5.646 ( 4.849 1.303 3.134) 5.919 5.697 ( -3.020 2.751 -1.949) 4.526 6.405 ( 0.944 1.912 4.852) 5.300 6.495 ( -0.105 -0.420 -4.362) 4.383 7.268 ( 2.437 -2.110 8.824) 9.395 7.376 ( 0.487 -0.011 -2.111) 2.166 7.842 ( -0.975 -1.210 0.110) 1.558 7.898 ( -0.548 1.255 -5.702) 5.865 8.169 ( 6.359 13.234 0.053) 14.683 8.179 ( -5.589 9.680 -1.123) 11.233 8.409 ( -2.273 4.267 -0.718) 4.888 8.414 ( 2.394 3.153 -0.979) 4.078 9.223 ( 2.488 0.838 11.461) 11.757 9.416 ( -0.753 1.127 -7.488) 7.610 9.489 ( 4.402 -5.803 3.290) 7.992 9.565 ( -8.306 -1.642 -3.227) 9.061 9.858 ( -2.500 -2.731 15.523) 15.959 10.067 ( 2.655 5.461 5.632) 8.282 10.181 ( 0.141 3.169 -10.877) 11.330 10.271 ( 4.148 -0.287 -12.981) 13.630 11.143 ( 12.514 3.959 10.410) 16.752 11.347 ( -13.325 2.279 -10.091) 16.869 11.581 ( -8.622 4.042 6.061) 11.287 11.652 ( 3.979 3.104 -1.507) 5.267 11.904 ( -8.285 0.866 6.057) 10.299 12.035 ( 6.839 -1.991 -6.950) 9.952 12.711 ( 12.810 -8.864 6.945) 17.056 12.808 ( -16.702 -7.723 -2.242) 18.537 13.110 ( 3.076 -3.228 4.025) 6.007 13.205 ( -4.030 -4.989 -4.815) 8.020 13.949 ( 5.540 21.311 -1.030) 22.043 13.964 ( -9.252 20.177 -2.733) 22.365 15.125 ( 1.814 -1.844 3.087) 4.027 15.138 ( 6.453 -1.259 1.617) 6.770 15.819 ( 4.821 -2.194 3.942) 6.602 15.918 ( -5.489 -2.837 -6.456) 8.936 16.396 ( -4.338 -2.912 9.734) 11.047 16.568 ( 5.082 -6.580 -7.897) 11.467 17.620 ( -9.234 -1.877 13.528) 16.486 17.822 ( 7.675 -3.890 -6.016) 10.499 18.276 ( -1.192 -3.822 -0.039) 4.004 18.312 ( 0.260 -2.167 -4.174) 4.711 19.114 ( -1.309 -1.714 10.187) 10.413 19.315 ( -3.183 -1.032 -10.914) 11.416 19.818 ( 0.120 -4.380 25.074) 25.454 20.326 ( 6.114 -7.718 -28.167) 29.839 23.736 ( -5.463 -3.655 25.892) 26.714 24.167 ( 3.766 -2.254 -14.119) 14.786 24.311 ( 1.307 -0.976 8.585) 8.739 24.664 ( 1.965 -3.067 -21.870) 22.171 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.160 7.866 -4.591) 9.109 1.666 ( 19.421 0.635 10.389) 22.034 2.028 ( 2.901 3.666 17.694) 18.301 2.233 ( -7.052 4.197 1.173) 8.289 2.324 ( 4.695 -0.031 -12.835) 13.666 2.463 ( 2.050 -2.066 -1.334) 3.201 2.811 ( -6.263 1.900 0.019) 6.545 2.967 ( 0.447 1.882 6.474) 6.757 3.323 ( 3.162 2.051 0.688) 3.831 3.385 ( 2.533 5.626 -6.461) 8.933 3.728 ( 4.116 3.784 29.017) 29.551 3.867 ( -0.991 -1.355 -9.508) 9.655 3.943 ( -2.100 -9.145 4.191) 10.276 4.062 ( -3.898 -15.635 1.456) 16.179 4.325 ( -4.273 -7.431 5.626) 10.254 4.433 ( -6.374 0.220 5.107) 8.170 4.543 ( 4.221 -3.597 -4.054) 6.869 4.646 ( -1.159 -6.498 13.157) 14.720 4.911 ( 6.287 9.011 -1.367) 11.072 4.994 ( 2.743 6.073 -6.053) 9.003 5.100 ( 7.847 8.277 -4.257) 12.174 5.193 ( 1.500 1.620 -12.188) 12.387 5.545 ( -6.462 5.052 -3.347) 8.859 5.780 ( 3.064 -0.698 -0.674) 3.214 6.505 ( 7.354 1.558 4.890) 8.968 6.550 ( 7.506 -0.286 -5.230) 9.153 7.352 ( 3.720 -2.866 4.229) 6.319 7.401 ( 2.995 -0.125 -3.843) 4.874 7.762 ( -7.176 -0.953 1.051) 7.315 7.840 ( -4.521 3.516 -1.940) 6.047 8.025 ( -7.892 8.927 -2.108) 12.100 8.268 ( 0.793 12.075 -2.407) 12.338 8.326 ( -1.903 5.450 1.579) 5.985 8.478 ( 2.395 2.117 -1.706) 3.624 9.269 ( -1.001 -0.442 2.756) 2.965 9.339 ( -11.151 -5.666 1.676) 12.620 9.423 ( 3.598 6.563 -0.953) 7.545 9.598 ( 1.846 -1.245 2.350) 3.237 9.831 ( -3.762 -5.502 13.148) 14.741 10.011 ( -7.355 2.484 -6.641) 10.216 10.214 ( 2.427 6.231 -2.236) 7.051 10.297 ( 2.912 0.153 -14.239) 14.534 10.932 ( -18.320 0.838 -4.962) 18.999 11.134 ( -10.569 9.397 12.736) 19.032 11.644 ( 3.044 -1.764 4.079) 5.386 11.761 ( 5.104 1.140 7.500) 9.144 11.841 ( 0.550 5.045 2.435) 5.629 12.170 ( 9.011 -3.045 -4.650) 10.587 12.586 ( -6.491 -7.409 -0.844) 9.886 12.974 ( -0.254 0.323 2.537) 2.571 13.177 ( 15.272 -13.647 4.066) 20.881 13.241 ( 7.098 -2.832 3.782) 8.527 13.797 ( -7.990 16.017 1.258) 17.944 14.061 ( 6.095 17.130 2.307) 18.327 15.165 ( 2.967 -0.765 -4.070) 5.094 15.300 ( 9.120 0.974 -8.205) 12.306 15.654 ( -9.244 -7.519 0.845) 11.946 15.998 ( -0.288 0.345 -1.299) 1.374 16.309 ( -1.995 -7.701 9.104) 12.090 16.617 ( 0.705 -0.173 -8.304) 8.336 17.498 ( -8.076 0.462 14.751) 16.824 17.972 ( 9.752 -6.195 -5.989) 13.014 18.107 ( -5.627 -3.290 -0.240) 6.523 18.510 ( 10.465 -2.525 -0.485) 10.776 18.996 ( -12.584 -2.477 8.811) 15.560 19.118 ( -13.611 -0.039 -2.448) 13.829 19.946 ( 4.197 -6.348 20.992) 22.329 20.409 ( 11.413 -4.585 -32.845) 35.073 23.632 ( -12.742 -1.412 25.330) 28.389 24.157 ( 0.039 -3.036 -17.539) 17.800 24.362 ( 0.513 -1.807 9.584) 9.766 24.657 ( 4.824 -2.193 -21.169) 21.822 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 7.060 11.371 1.763) 13.500 2.037 ( 6.266 5.645 8.141) 11.722 2.093 ( 5.779 2.016 1.951) 6.424 2.193 ( 5.683 2.709 6.806) 9.271 2.385 ( 5.847 1.488 -10.192) 11.844 2.521 ( 3.445 -5.247 3.773) 7.324 2.715 ( -2.974 -1.782 -4.098) 5.368 2.914 ( -9.471 -3.998 6.604) 12.219 3.284 ( -5.302 4.098 -5.437) 8.629 3.371 ( -2.805 -2.812 -3.026) 4.993 3.879 ( 1.348 -1.843 12.371) 12.580 3.892 ( 6.987 0.715 6.267) 9.413 4.000 ( 3.204 -1.863 5.008) 6.231 4.021 ( 0.568 -8.144 7.445) 11.049 4.284 ( -1.839 -0.382 -0.855) 2.064 4.388 ( -0.509 0.117 14.604) 14.613 4.566 ( 1.162 -3.529 -10.536) 11.172 4.630 ( -4.319 -1.801 16.562) 17.211 5.014 ( 3.058 6.467 -2.066) 7.446 5.056 ( 7.413 5.933 -10.199) 13.935 5.203 ( 2.954 6.453 0.402) 7.109 5.226 ( 5.362 1.137 -8.000) 9.697 5.431 ( -3.817 5.800 -7.174) 9.984 5.760 ( -4.106 -1.600 -4.019) 5.965 6.683 ( 8.839 0.716 5.575) 10.475 6.721 ( 11.154 -0.353 -4.875) 12.178 7.405 ( -3.826 -2.077 6.293) 7.652 7.429 ( 2.699 0.695 -6.072) 6.681 7.643 ( -3.113 4.508 2.461) 6.005 7.707 ( -8.683 0.803 0.365) 8.728 7.907 ( -3.595 5.462 -2.397) 6.964 8.181 ( -4.894 6.960 -5.209) 9.976 8.362 ( 1.302 9.024 3.726) 9.850 8.494 ( 0.757 2.161 -4.130) 4.722 9.166 ( -7.013 -4.851 2.451) 8.873 9.244 ( -0.979 4.995 -2.293) 5.583 9.495 ( 0.545 4.855 9.529) 10.708 9.579 ( -1.309 0.876 -3.703) 4.024 9.794 ( -8.392 6.315 1.478) 10.606 9.864 ( -1.502 -8.089 5.314) 9.795 10.099 ( -10.115 0.670 -16.288) 19.184 10.270 ( -2.513 11.369 -9.110) 14.783 10.776 ( 3.550 -6.237 3.292) 7.895 11.136 ( 3.905 8.109 19.253) 21.253 11.533 ( -9.558 -1.028 1.085) 9.674 11.824 ( -1.399 1.743 -6.035) 6.436 11.966 ( 7.369 0.143 12.633) 14.626 12.305 ( 5.229 1.383 -3.392) 6.384 12.518 ( -0.785 -10.344 -0.632) 10.393 12.851 ( -7.934 -2.878 -0.445) 8.452 13.365 ( 8.083 -0.635 1.448) 8.236 13.629 ( 12.763 -1.164 8.731) 15.507 13.686 ( 3.402 -1.109 3.909) 5.300 14.179 ( 5.144 9.401 1.827) 10.871 15.189 ( -0.462 -1.791 -8.080) 8.290 15.259 ( -7.633 -2.723 -5.821) 9.978 15.706 ( 7.939 -5.586 -3.103) 10.191 15.874 ( -2.477 -0.876 4.557) 5.260 16.380 ( 0.649 -2.085 -0.090) 2.186 16.533 ( -4.652 3.760 -6.291) 8.680 17.445 ( -1.986 0.828 19.597) 19.715 18.085 ( 4.713 -1.757 -6.886) 8.527 18.147 ( 7.893 -7.375 3.488) 11.351 18.641 ( 2.374 -3.050 -0.302) 3.877 18.763 ( -13.895 -2.273 6.410) 15.470 18.846 ( -12.412 -0.098 -0.984) 12.451 20.064 ( 0.472 -5.860 20.352) 21.184 20.505 ( 9.734 -3.735 -33.555) 35.137 23.472 ( -12.295 0.634 27.645) 30.263 24.063 ( -1.619 -1.414 -25.741) 25.830 24.395 ( -0.880 -2.757 13.238) 13.551 24.695 ( 5.719 -1.788 -20.089) 20.964 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 6.014 11.952 9.347) 16.321 1.916 ( -8.723 9.193 -2.106) 12.847 2.350 ( 7.742 1.921 7.138) 10.704 2.390 ( 12.805 1.809 0.916) 12.965 2.476 ( 5.464 -1.308 -2.013) 5.968 2.583 ( 0.318 -6.539 1.869) 6.808 2.634 ( -10.516 -3.576 4.706) 12.063 2.742 ( -0.571 -3.744 -10.308) 10.982 3.171 ( -3.287 3.118 -1.740) 4.853 3.247 ( -8.439 -3.317 -1.816) 9.248 3.911 ( -7.192 7.218 16.164) 19.107 3.986 ( -1.591 -3.322 18.710) 19.069 4.051 ( 5.238 -3.918 4.650) 8.026 4.164 ( 9.055 -2.819 0.106) 9.484 4.252 ( -0.514 -3.798 -1.385) 4.075 4.450 ( 0.025 -2.697 7.142) 7.634 4.556 ( 1.445 -3.874 -4.948) 6.448 4.632 ( 0.867 5.080 10.563) 11.753 5.018 ( -1.405 8.346 -3.316) 9.090 5.163 ( 5.590 3.452 -5.937) 8.855 5.216 ( 0.067 7.199 -5.201) 8.882 5.317 ( 2.468 8.351 -7.843) 11.719 5.373 ( 3.388 -1.427 -1.328) 3.909 5.622 ( -7.744 -2.444 -7.490) 11.047 6.824 ( 2.019 0.909 7.093) 7.430 6.893 ( 7.751 -0.900 -5.233) 9.396 7.257 ( -10.535 3.930 14.646) 18.464 7.479 ( 3.586 1.069 -7.636) 8.504 7.554 ( -7.280 -0.100 4.648) 8.638 7.661 ( 3.068 2.545 -2.901) 4.930 7.878 ( 1.380 3.141 -0.658) 3.493 8.077 ( -3.699 7.545 -7.789) 11.458 8.382 ( -0.557 6.051 5.121) 7.947 8.495 ( 1.000 3.016 -5.891) 6.693 9.107 ( -1.043 -0.730 3.362) 3.595 9.205 ( -1.564 3.226 -4.359) 5.644 9.502 ( 0.239 6.037 8.962) 10.808 9.597 ( 1.485 1.495 -1.397) 2.528 9.616 ( -7.754 7.313 -0.320) 10.663 9.863 ( -6.303 -0.177 -7.919) 10.123 9.905 ( 0.315 -0.683 3.794) 3.868 10.182 ( -2.558 7.477 -11.226) 13.728 10.957 ( 11.144 -8.211 7.335) 15.665 11.274 ( -3.466 -0.119 3.828) 5.165 11.385 ( 0.369 5.161 11.160) 12.301 11.768 ( -1.277 0.690 -10.093) 10.197 12.103 ( 3.578 1.240 10.666) 11.319 12.306 ( -2.700 2.564 -4.633) 5.944 12.556 ( 3.150 -12.735 3.267) 13.520 12.729 ( -3.715 -5.968 -4.321) 8.252 13.495 ( 1.442 1.579 6.760) 7.090 13.602 ( 1.326 4.620 -2.390) 5.368 14.024 ( 13.132 -6.694 7.540) 16.556 14.243 ( 1.390 2.534 -2.400) 3.757 15.057 ( -13.400 -10.152 5.182) 17.592 15.117 ( -0.514 -6.584 -10.186) 12.140 15.779 ( 7.417 2.128 0.005) 7.717 16.020 ( 1.377 2.689 -2.149) 3.707 16.271 ( -0.461 2.052 -3.054) 3.708 16.458 ( -5.276 2.720 -3.963) 7.137 17.573 ( 6.956 -0.394 24.569) 25.537 18.126 ( -0.790 -1.255 -12.849) 12.934 18.311 ( 7.014 -7.510 9.034) 13.682 18.546 ( -7.497 -2.517 5.548) 9.660 18.601 ( -3.884 -1.620 0.696) 4.265 18.708 ( -3.139 -1.032 -6.414) 7.215 20.087 ( -5.079 -4.441 21.682) 22.707 20.556 ( 6.762 -4.201 -31.476) 32.467 23.370 ( -8.048 1.780 30.298) 31.399 23.964 ( 1.022 -0.033 -28.710) 28.729 24.411 ( -2.149 -2.926 14.054) 14.516 24.731 ( 4.816 -1.904 -19.906) 20.569 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -8.881 8.033 6.960) 13.851 1.771 ( -1.419 11.247 6.770) 13.204 2.404 ( -12.027 -3.766 7.541) 14.687 2.437 ( -5.400 4.604 -5.885) 9.219 2.503 ( 1.170 2.595 -7.137) 7.684 2.546 ( 2.016 -1.119 4.704) 5.239 2.583 ( 3.020 -6.703 1.542) 7.512 2.847 ( 12.688 -3.345 -10.744) 16.959 3.115 ( -3.644 1.543 3.358) 5.191 3.203 ( 5.556 -3.198 3.208) 7.168 3.720 ( -17.459 9.238 25.287) 32.087 3.989 ( -3.731 1.694 10.831) 11.580 4.203 ( 5.318 -5.676 7.466) 10.781 4.216 ( -1.161 -3.749 -3.328) 5.146 4.260 ( -0.132 -9.766 0.876) 9.806 4.450 ( 1.411 -6.054 -3.931) 7.355 4.568 ( -1.000 -0.961 3.472) 3.738 4.711 ( 3.776 6.293 0.525) 7.357 4.944 ( -5.749 8.297 1.129) 10.157 5.183 ( -1.645 5.074 2.813) 6.030 5.212 ( 2.046 8.625 -19.003) 20.969 5.295 ( 0.412 4.020 -1.685) 4.378 5.448 ( -4.600 -1.574 -9.544) 10.711 5.535 ( 8.127 -0.196 2.061) 8.387 6.771 ( -8.621 1.335 7.348) 11.406 6.924 ( -3.952 -1.438 -3.518) 5.483 7.185 ( -3.699 5.313 18.967) 20.041 7.499 ( -1.408 -1.232 2.448) 3.081 7.508 ( 3.969 2.794 -4.089) 6.347 7.731 ( 6.252 1.401 -6.712) 9.279 7.953 ( 5.410 3.483 3.636) 7.391 8.001 ( -1.033 8.486 -10.083) 13.219 8.390 ( 0.257 3.544 4.603) 5.815 8.480 ( -0.974 4.393 -4.604) 6.438 9.090 ( -0.319 -4.611 2.719) 5.363 9.214 ( 1.231 6.012 -3.868) 7.254 9.485 ( -1.946 5.682 3.873) 7.147 9.607 ( 4.037 3.513 11.597) 12.772 9.653 ( 5.242 6.172 -1.403) 8.218 9.764 ( -0.396 1.846 -11.588) 11.741 9.939 ( -0.179 5.288 10.032) 11.342 10.125 ( 0.589 1.412 -10.979) 11.085 11.070 ( -11.895 -4.597 -4.561) 13.544 11.198 ( 11.088 -8.263 7.922) 15.936 11.545 ( 6.495 6.709 11.648) 14.928 11.707 ( -0.927 2.434 -16.427) 16.632 12.162 ( -1.664 0.013 7.018) 7.213 12.256 ( 0.154 3.195 -1.325) 3.462 12.564 ( -4.008 -10.441 2.624) 11.488 12.728 ( 5.760 -8.495 -5.051) 11.439 13.454 ( -5.755 1.478 7.567) 9.621 13.671 ( 4.549 3.407 -6.015) 8.275 14.105 ( -7.400 -2.593 0.826) 7.885 14.261 ( 2.584 -1.648 -5.750) 6.516 14.875 ( -5.698 -7.284 13.259) 16.166 15.182 ( 8.161 -7.739 -6.168) 12.827 15.785 ( -12.325 -0.379 -0.440) 12.339 16.003 ( 9.389 5.925 -0.709) 11.125 16.270 ( -9.863 3.214 -3.248) 10.870 16.431 ( 8.447 1.021 -0.971) 8.563 17.770 ( 2.653 -2.283 21.811) 22.090 17.956 ( -8.740 0.118 -12.712) 15.427 18.426 ( -1.968 -6.720 3.213) 7.704 18.517 ( 1.267 -5.011 -0.907) 5.248 18.584 ( 5.495 -2.187 4.543) 7.458 18.711 ( 7.175 1.409 -5.153) 8.945 20.024 ( -9.072 -3.499 24.081) 25.970 20.557 ( 3.305 -5.363 -27.701) 28.408 23.371 ( -2.537 2.011 32.778) 32.938 23.931 ( 5.406 0.619 -28.286) 28.805 24.402 ( -3.606 -2.856 14.047) 14.781 24.746 ( 3.560 -2.324 -20.189) 20.632 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -15.328 7.707 4.289) 17.684 1.812 ( -1.638 8.551 21.541) 23.234 2.151 ( -16.844 -0.599 -1.517) 16.923 2.295 ( -3.752 5.776 -2.607) 7.364 2.469 ( -0.196 1.268 -13.199) 13.261 2.570 ( -2.894 -8.518 -1.185) 9.074 2.666 ( 7.327 2.671 1.218) 7.893 3.055 ( 7.458 -0.601 0.149) 7.484 3.160 ( 6.572 1.131 1.432) 6.821 3.321 ( 3.876 -4.965 2.880) 6.926 3.481 ( -15.632 11.497 30.496) 36.146 3.913 ( -4.523 1.654 3.738) 6.096 4.127 ( -4.945 -12.588 -0.443) 13.532 4.251 ( -1.384 -10.462 3.520) 11.125 4.315 ( 2.016 -8.463 8.729) 12.324 4.472 ( 2.348 -2.497 -12.070) 12.547 4.537 ( -1.691 0.775 0.669) 1.977 4.732 ( -1.342 2.797 -0.664) 3.173 4.825 ( -7.625 7.867 6.212) 12.594 5.140 ( -2.480 9.792 -5.563) 11.532 5.209 ( 3.047 9.676 -13.760) 17.095 5.248 ( -5.060 -6.431 2.316) 8.504 5.412 ( 3.848 5.526 -8.823) 11.099 5.689 ( 5.801 0.834 4.374) 7.313 6.607 ( -10.295 1.439 6.107) 12.056 6.762 ( -10.330 -1.433 -2.497) 10.724 7.188 ( -2.380 3.661 17.235) 17.779 7.458 ( -3.506 -1.536 2.047) 4.341 7.641 ( 9.445 3.290 -1.674) 10.141 7.832 ( 6.090 2.117 -7.761) 10.089 7.981 ( 2.231 7.156 -7.643) 10.705 8.082 ( 6.334 5.694 4.485) 9.626 8.410 ( -0.586 2.486 1.384) 2.905 8.455 ( 0.796 5.390 -2.644) 6.056 9.133 ( 0.821 -4.723 5.152) 7.037 9.208 ( 3.130 5.280 0.109) 6.139 9.499 ( -0.083 -2.362 0.170) 2.370 9.706 ( 3.425 -2.840 12.362) 13.138 9.753 ( 2.437 5.042 -11.262) 12.578 9.839 ( 10.487 13.594 4.146) 17.662 10.003 ( 6.481 9.188 9.371) 14.637 10.120 ( 1.991 -2.417 -8.965) 9.497 10.849 ( -8.817 -3.509 -4.697) 10.589 11.392 ( 6.122 -6.177 2.092) 8.945 11.623 ( 0.698 3.112 -11.527) 11.960 11.696 ( 5.012 2.904 1.968) 6.118 12.094 ( -6.017 -2.085 0.572) 6.394 12.245 ( -4.157 5.309 3.706) 7.694 12.505 ( -1.194 -7.925 0.053) 8.015 12.857 ( 8.153 -6.372 -1.611) 10.472 13.350 ( -7.099 -0.574 2.953) 7.710 13.727 ( 2.722 4.701 -3.232) 6.321 13.836 ( -16.933 -9.829 -9.119) 21.598 14.254 ( -1.451 8.698 -6.296) 10.836 14.922 ( 3.303 -1.137 16.098) 16.473 15.228 ( -5.067 4.414 0.308) 6.727 15.674 ( 1.551 -13.717 0.603) 13.817 15.981 ( -5.153 2.567 -6.852) 8.950 16.275 ( 6.583 5.696 7.575) 11.539 16.525 ( 2.108 -2.179 -2.843) 4.156 17.746 ( -3.029 -1.189 -7.009) 7.727 17.840 ( -5.867 -0.972 12.355) 13.712 18.268 ( -7.975 -5.105 -6.170) 11.302 18.598 ( 0.180 -4.547 3.384) 5.671 18.761 ( 10.855 -2.474 3.029) 11.538 18.937 ( 18.037 0.045 -5.891) 18.974 19.914 ( -10.806 -3.151 26.717) 28.992 20.498 ( -0.747 -7.389 -24.114) 25.231 23.482 ( 2.567 0.671 33.792) 33.896 23.985 ( 9.297 0.751 -26.067) 27.686 24.365 ( -5.154 -2.693 14.069) 15.223 24.736 ( 2.394 -2.890 -20.624) 20.963 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -5.934 6.650 11.513) 14.560 1.810 ( -17.293 0.797 -3.708) 17.704 1.854 ( -1.353 7.153 23.990) 25.070 2.262 ( 0.814 3.616 -3.490) 5.090 2.429 ( -0.083 0.806 -11.898) 11.926 2.504 ( -2.572 -5.574 -5.204) 8.047 2.808 ( 6.903 3.151 0.653) 7.616 3.060 ( -6.609 3.782 3.658) 8.448 3.232 ( -0.681 2.976 2.176) 3.749 3.371 ( 0.651 2.282 3.475) 4.208 3.394 ( -2.304 9.537 25.042) 26.895 3.942 ( 5.860 -7.692 4.111) 10.507 4.058 ( -2.267 -18.174 2.750) 18.521 4.198 ( -5.286 -5.835 -4.551) 9.094 4.357 ( 1.280 -17.213 4.877) 17.936 4.432 ( -2.074 1.233 -3.248) 4.046 4.548 ( 1.680 1.171 -1.366) 2.462 4.678 ( -4.940 -4.623 4.415) 8.078 4.745 ( -1.602 11.097 6.497) 12.959 5.054 ( -4.236 6.581 -5.392) 9.504 5.128 ( -4.615 3.974 -8.894) 10.779 5.240 ( 2.146 6.837 -11.286) 13.368 5.498 ( 6.964 3.526 -0.751) 7.842 5.757 ( -0.394 1.702 2.822) 3.319 6.450 ( -7.112 1.515 4.732) 8.676 6.577 ( -7.152 -0.972 -3.052) 7.836 7.212 ( -0.224 0.752 13.219) 13.242 7.399 ( -2.684 -0.875 1.129) 3.040 7.795 ( 6.105 1.647 -1.133) 6.424 7.896 ( 3.164 0.772 -7.962) 8.602 8.040 ( 5.939 9.883 -2.384) 11.774 8.202 ( 3.900 6.930 3.565) 8.715 8.381 ( -1.062 4.466 -2.683) 5.317 8.462 ( -0.721 4.683 -0.860) 4.815 9.153 ( 0.513 3.728 10.395) 11.055 9.341 ( 8.175 -6.763 0.931) 10.651 9.470 ( -1.699 -1.604 -4.481) 5.054 9.716 ( -3.979 2.242 -5.900) 7.461 9.810 ( 1.861 -2.821 14.813) 15.194 9.979 ( 4.209 7.808 5.204) 10.284 10.155 ( 6.311 -3.694 -15.832) 17.439 10.225 ( 6.666 10.575 4.758) 13.375 10.812 ( 9.647 0.307 3.149) 10.152 11.427 ( 2.596 1.151 -12.252) 12.577 11.645 ( 0.000 -2.720 1.588) 3.149 11.755 ( -2.787 2.533 2.663) 4.612 11.975 ( -2.426 -0.489 -5.339) 5.885 12.106 ( -10.916 4.112 2.566) 11.943 12.536 ( 4.247 -7.214 3.219) 8.969 12.999 ( 6.539 -3.066 0.032) 7.222 13.180 ( -14.327 -5.739 0.822) 15.456 13.402 ( -17.751 -10.787 -9.991) 23.049 13.842 ( 6.653 15.193 -3.200) 16.892 14.147 ( -7.422 18.798 -7.273) 21.479 15.037 ( 3.331 -0.837 11.221) 11.735 15.118 ( -4.471 1.902 7.630) 9.046 15.695 ( 3.116 -5.016 -2.502) 6.413 16.006 ( 2.913 -3.488 -1.284) 4.723 16.361 ( 1.450 -1.099 5.392) 5.691 16.540 ( 1.287 -3.757 -2.934) 4.938 17.732 ( 3.292 -0.589 -7.944) 8.619 17.746 ( -7.864 -2.804 14.092) 16.380 18.175 ( 1.292 -4.431 -4.477) 6.430 18.512 ( -8.946 -3.345 -1.156) 9.620 18.985 ( 10.263 -2.568 5.419) 11.886 19.246 ( 14.260 -0.015 -11.101) 18.072 19.811 ( -8.336 -3.454 27.776) 29.205 20.385 ( -2.263 -9.126 -23.048) 24.892 23.654 ( 3.244 -2.461 30.816) 31.084 24.095 ( 9.940 0.250 -22.974) 25.034 24.308 ( -5.012 -2.187 14.532) 15.526 24.705 ( 1.489 -3.302 -21.220) 21.527 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 5.532 6.123 11.872) 14.458 1.596 ( -5.694 5.026 -7.477) 10.658 2.065 ( 0.847 7.564 15.217) 17.014 2.318 ( -0.463 3.012 -3.957) 4.994 2.345 ( -0.875 -0.576 1.388) 1.739 2.417 ( 0.143 -2.407 -9.713) 10.008 2.955 ( 0.788 -0.944 6.204) 6.325 3.045 ( -5.359 3.570 -1.189) 6.548 3.333 ( 1.338 1.962 6.987) 7.379 3.483 ( 0.709 3.715 -6.761) 7.746 3.622 ( 2.102 -18.531 3.399) 18.958 3.652 ( -0.655 -16.895 0.318) 16.910 3.768 ( 1.588 11.855 18.725) 22.219 3.993 ( -6.217 -1.386 -4.182) 7.619 4.269 ( 6.248 -2.198 7.634) 10.106 4.367 ( -4.955 -2.984 -0.014) 5.784 4.461 ( -4.348 -3.564 7.336) 9.242 4.592 ( 1.524 5.444 -3.210) 6.501 4.948 ( 3.955 4.297 8.832) 10.588 5.061 ( -1.190 2.307 0.011) 2.596 5.222 ( 0.066 7.845 -11.797) 14.167 5.299 ( -0.764 3.217 -12.483) 12.913 5.687 ( 4.770 1.861 3.704) 6.319 5.766 ( -3.873 3.550 -3.678) 6.413 6.471 ( 1.736 4.060 2.621) 5.135 6.507 ( -0.045 1.758 -1.620) 2.392 7.223 ( -0.618 -2.058 10.111) 10.337 7.348 ( 1.476 -2.717 -2.433) 3.935 7.848 ( -2.513 1.539 2.208) 3.682 7.949 ( 1.088 2.551 -7.778) 8.258 8.376 ( -4.683 9.131 4.217) 11.095 8.406 ( 7.840 4.894 2.493) 9.572 8.493 ( 2.437 8.866 -3.844) 9.966 8.503 ( -3.791 3.647 -4.484) 6.912 9.186 ( 1.622 -3.625 14.583) 15.114 9.384 ( -2.645 -3.782 -4.881) 6.717 9.497 ( 4.117 4.613 1.897) 6.467 9.556 ( -5.632 0.604 -2.910) 6.369 9.821 ( -1.900 0.017 8.836) 9.038 10.054 ( 1.338 -6.590 -13.937) 15.474 10.233 ( 3.627 5.586 9.170) 11.334 10.377 ( -3.098 6.740 -5.682) 9.344 11.257 ( 14.652 7.279 9.103) 18.722 11.431 ( -13.480 5.685 -8.082) 16.714 11.639 ( 8.061 2.869 9.677) 12.917 11.804 ( -10.150 9.635 -5.061) 14.882 11.887 ( -0.267 -2.584 3.167) 4.096 12.008 ( -1.299 0.594 -7.443) 7.579 12.588 ( 9.874 -2.624 8.179) 13.088 12.713 ( -12.758 -1.974 -4.444) 13.653 13.042 ( 4.168 -3.800 3.384) 6.577 13.114 ( -3.731 -3.970 -3.447) 6.447 14.332 ( 2.436 17.374 2.690) 17.749 14.411 ( -7.234 20.095 -5.756) 22.119 15.065 ( 2.893 -3.430 5.206) 6.873 15.116 ( 5.950 -1.075 -0.671) 6.084 15.742 ( -1.688 -5.362 4.361) 7.114 15.836 ( 0.222 -5.034 -5.260) 7.284 16.283 ( -11.134 -8.327 4.885) 14.736 16.380 ( 10.997 -11.211 -4.899) 16.451 17.577 ( -6.061 -1.775 14.083) 15.435 17.744 ( 3.027 -2.975 -1.541) 4.515 18.196 ( -2.825 -3.490 0.357) 4.504 18.257 ( 2.513 -2.949 -6.405) 7.486 19.083 ( -0.567 -0.838 10.415) 10.464 19.301 ( -3.566 0.037 -12.403) 12.906 19.694 ( -1.239 -7.446 21.642) 22.921 20.129 ( 8.499 -10.905 -23.781) 27.508 23.679 ( -4.991 -1.382 26.878) 27.373 24.115 ( 0.054 -2.896 -4.480) 5.335 24.265 ( 3.443 -3.182 -4.282) 6.349 24.578 ( 2.896 -5.190 -22.172) 22.955 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 5.142 10.000 -6.492) 12.984 1.652 ( 14.791 -1.268 9.946) 17.869 2.143 ( 3.211 6.585 11.955) 14.021 2.293 ( -1.234 4.116 -1.828) 4.670 2.375 ( 3.974 2.837 -3.809) 6.193 2.390 ( -0.136 -4.295 -4.000) 5.871 2.896 ( -9.392 4.352 0.564) 10.367 2.934 ( -5.881 -4.726 8.496) 11.362 3.324 ( -4.108 -2.222 1.120) 4.803 3.492 ( 3.075 0.897 -3.615) 4.830 3.659 ( 3.137 -18.090 2.966) 18.598 3.679 ( -0.084 -5.942 -0.899) 6.011 3.870 ( -0.156 2.258 17.285) 17.432 3.939 ( 4.443 3.755 -1.778) 6.083 4.313 ( 2.249 4.045 2.705) 5.361 4.382 ( -0.308 -3.446 3.211) 4.720 4.437 ( -1.173 -4.314 10.737) 11.630 4.642 ( 4.586 6.856 -2.157) 8.526 5.037 ( 1.555 0.133 0.018) 1.560 5.087 ( 5.589 3.720 1.778) 6.945 5.241 ( 2.496 6.265 -8.824) 11.105 5.260 ( 3.069 6.429 -7.284) 10.188 5.666 ( -4.315 5.413 -6.551) 9.531 5.757 ( 0.698 -1.423 3.211) 3.581 6.563 ( 7.074 3.148 0.043) 7.744 6.565 ( 6.425 2.352 -1.608) 7.028 7.277 ( 3.095 -4.034 7.111) 8.742 7.387 ( 3.283 -1.380 -2.910) 4.599 7.776 ( -5.685 1.995 4.716) 7.651 7.911 ( -3.410 2.753 -5.081) 6.710 8.201 ( -11.474 7.991 -0.416) 13.988 8.414 ( -4.369 4.624 -2.986) 7.028 8.494 ( 1.729 -0.997 1.138) 2.298 8.588 ( 5.744 15.444 -3.134) 16.773 9.225 ( -8.646 -4.149 -5.018) 10.824 9.251 ( -0.373 -2.724 14.001) 14.268 9.530 ( 4.598 0.045 -7.000) 8.375 9.614 ( 3.858 6.755 7.167) 10.578 9.766 ( -5.703 -0.704 9.181) 10.831 10.004 ( -3.619 -4.222 -9.256) 10.798 10.302 ( -2.131 5.277 -7.653) 9.537 10.355 ( 5.179 3.466 7.687) 9.896 11.037 ( -19.080 9.179 -10.392) 23.586 11.372 ( -9.959 13.309 8.262) 18.562 11.615 ( 0.081 -0.881 -2.544) 2.694 11.786 ( 5.063 1.358 11.907) 13.010 11.952 ( -1.615 3.788 -6.746) 7.904 12.075 ( 9.752 -3.410 5.801) 11.848 12.528 ( -5.557 0.467 -1.921) 5.898 12.930 ( 0.983 -4.211 0.359) 4.339 12.960 ( 12.576 -6.717 5.655) 15.338 13.202 ( 7.903 -1.497 1.775) 8.237 14.124 ( -15.401 14.618 -0.540) 21.241 14.368 ( -2.717 12.347 4.538) 13.432 15.148 ( 4.643 -0.850 -5.630) 7.347 15.345 ( 13.510 3.186 -6.759) 15.439 15.469 ( -13.270 -10.197 3.608) 17.120 15.947 ( -10.822 -5.574 -0.672) 12.192 16.128 ( 9.142 -8.607 6.128) 13.972 16.575 ( 7.065 -4.382 -5.260) 9.838 17.510 ( -6.162 0.789 15.772) 16.951 17.831 ( 6.450 -6.210 -0.771) 8.987 18.053 ( -4.471 -1.718 -1.227) 4.944 18.430 ( 9.564 -5.316 -2.165) 11.155 18.956 ( -12.806 -0.917 6.075) 14.203 19.121 ( -12.844 0.499 -1.857) 12.987 19.788 ( 4.508 -8.348 15.473) 18.150 20.267 ( 12.532 -9.247 -28.533) 32.507 23.613 ( -10.112 0.072 25.941) 27.843 24.094 ( -0.395 -2.946 -8.712) 9.205 24.298 ( 1.088 -4.066 -1.108) 4.352 24.589 ( 5.623 -4.460 -21.547) 22.710 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 9.274 11.957 -1.867) 15.247 1.947 ( 12.518 -9.198 6.049) 16.670 2.227 ( -0.564 3.496 -5.877) 6.861 2.313 ( 6.216 11.781 11.053) 17.309 2.396 ( 1.677 -5.274 -0.806) 5.593 2.454 ( 5.181 2.450 -3.278) 6.602 2.729 ( -7.828 2.926 1.654) 8.519 2.798 ( -10.090 -5.224 6.624) 13.152 3.231 ( -4.796 -4.531 -1.195) 6.705 3.503 ( -3.528 11.150 -6.106) 13.193 3.654 ( 2.664 -18.293 3.812) 18.874 3.804 ( 8.616 -9.553 4.353) 13.581 3.890 ( -1.777 -1.692 16.626) 16.806 4.091 ( 8.049 7.433 1.690) 11.085 4.359 ( 0.063 0.100 -4.335) 4.337 4.401 ( -5.273 -5.761 9.631) 12.399 4.435 ( 4.757 6.979 11.677) 14.411 4.722 ( 4.047 8.241 -2.773) 9.591 5.092 ( 4.409 -1.217 -0.146) 4.576 5.207 ( 5.934 8.024 -3.453) 10.561 5.241 ( 2.289 2.667 -2.274) 4.186 5.334 ( 3.610 5.838 -5.256) 8.646 5.568 ( -3.226 6.324 -10.076) 12.325 5.725 ( -4.598 -1.672 0.281) 4.901 6.710 ( 8.201 1.773 1.117) 8.465 6.727 ( 10.077 0.947 -2.573) 10.444 7.356 ( 1.731 -2.499 5.529) 6.310 7.441 ( 2.900 0.051 -1.186) 3.134 7.687 ( -5.230 0.994 6.394) 8.320 7.765 ( -10.041 2.727 -3.368) 10.936 8.024 ( -6.013 6.324 0.861) 8.769 8.313 ( -4.801 6.011 -3.669) 8.523 8.523 ( 2.001 0.182 -2.014) 2.845 8.643 ( 0.958 16.104 -2.505) 16.325 9.075 ( -3.561 -2.965 -4.304) 6.324 9.296 ( 0.014 -2.035 6.768) 7.067 9.609 ( 3.928 1.317 -5.213) 6.658 9.647 ( -2.678 8.874 7.234) 11.758 9.736 ( 0.118 -2.077 8.792) 9.035 9.868 ( -6.507 -0.530 -1.214) 6.641 10.184 ( -7.828 7.980 -6.542) 12.952 10.483 ( 4.074 5.897 -0.656) 7.197 10.722 ( -7.151 4.128 -7.120) 10.903 11.295 ( -1.161 6.800 8.345) 10.827 11.519 ( -7.161 0.980 0.680) 7.259 11.875 ( -2.767 2.757 -5.437) 6.695 11.979 ( 7.919 1.068 9.699) 12.566 12.229 ( 4.090 -6.741 7.077) 10.594 12.445 ( -3.606 1.584 -1.378) 4.173 12.720 ( -11.331 -8.614 -4.200) 14.841 13.385 ( 11.127 2.097 1.667) 11.445 13.446 ( 23.851 -7.707 8.201) 26.373 13.852 ( -11.899 8.340 -0.100) 14.531 14.327 ( -2.813 5.051 2.471) 6.288 15.071 ( -12.079 -8.624 -4.819) 15.605 15.177 ( -14.092 -8.703 -1.799) 16.660 15.610 ( 11.378 -1.348 -7.862) 13.896 15.897 ( 9.770 4.344 7.807) 13.239 16.333 ( 6.535 -3.294 2.281) 7.666 16.585 ( -2.732 1.091 -7.500) 8.057 17.470 ( -2.881 1.551 19.528) 19.800 17.969 ( 7.938 -8.787 -1.165) 11.899 18.054 ( 3.484 -1.286 2.357) 4.399 18.542 ( 2.171 -6.684 -2.907) 7.605 18.726 ( -12.474 -0.721 3.996) 13.118 18.850 ( -12.920 0.699 -1.419) 13.017 19.914 ( 2.381 -8.130 15.975) 18.083 20.377 ( 9.066 -8.934 -30.439) 32.993 23.501 ( -10.002 2.461 26.621) 28.544 24.037 ( -0.395 -0.918 -19.744) 19.769 24.313 ( -0.600 -5.038 8.086) 9.546 24.633 ( 5.916 -4.346 -21.178) 22.414 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 5.766 11.186 4.739) 13.448 2.093 ( -3.565 -0.599 -4.172) 5.521 2.204 ( 4.695 -5.504 4.893) 8.733 2.396 ( -1.803 -8.742 -1.265) 9.016 2.476 ( 4.560 6.073 8.076) 11.086 2.553 ( 6.481 4.052 -2.492) 8.039 2.616 ( -6.103 2.323 4.205) 7.767 2.674 ( -0.476 -1.318 -5.824) 5.990 3.180 ( 0.647 1.377 0.776) 1.708 3.349 ( -9.532 9.168 -2.938) 13.548 3.770 ( 4.426 -16.022 10.596) 19.712 3.900 ( -0.085 -10.766 7.808) 13.300 3.989 ( 5.474 -0.695 10.768) 12.099 4.197 ( 1.615 8.885 0.404) 9.040 4.268 ( -7.512 1.349 10.565) 13.033 4.378 ( 1.596 -4.472 -9.464) 10.589 4.556 ( 1.872 5.940 16.099) 17.262 4.789 ( 4.919 8.932 -6.223) 11.945 5.160 ( -0.051 -0.876 5.842) 5.908 5.233 ( -0.224 8.703 -1.560) 8.844 5.306 ( 2.587 -1.599 -2.938) 4.229 5.404 ( 7.035 6.822 -10.197) 14.142 5.489 ( -0.444 7.168 -9.503) 11.912 5.595 ( -8.007 0.522 -3.124) 8.611 6.839 ( 2.857 0.401 3.651) 4.653 6.882 ( 6.069 -0.100 -3.325) 6.920 7.353 ( -3.970 4.657 10.983) 12.572 7.467 ( -1.618 -2.392 6.950) 7.526 7.588 ( -3.787 2.896 -6.336) 7.929 7.644 ( -0.327 -3.103 -4.046) 5.110 7.987 ( 0.483 7.044 7.206) 10.089 8.224 ( -2.520 6.443 -6.547) 9.525 8.568 ( 3.028 3.886 -2.518) 5.532 8.612 ( -2.613 14.414 -2.290) 14.827 9.088 ( 4.967 -0.696 -2.781) 5.735 9.224 ( -8.187 -2.708 -1.302) 8.721 9.579 ( -3.200 4.125 12.342) 13.401 9.720 ( 7.750 7.392 -6.447) 12.501 9.740 ( -0.058 2.879 -1.877) 3.437 9.832 ( -2.917 -1.680 7.676) 8.381 10.020 ( -4.744 11.772 3.005) 13.043 10.403 ( -5.407 13.538 -16.247) 21.829 10.802 ( 9.753 -6.755 7.306) 13.933 11.202 ( -10.218 -5.097 -7.576) 13.704 11.518 ( 5.002 6.500 13.593) 15.876 11.815 ( -1.598 3.724 -6.013) 7.251 12.132 ( 4.129 1.354 11.280) 12.088 12.278 ( -0.377 -11.875 4.814) 12.819 12.369 ( -3.170 2.068 -1.104) 3.942 12.546 ( -4.062 -10.480 -8.404) 14.034 13.562 ( 2.625 4.748 7.216) 9.028 13.697 ( 0.423 4.448 -3.025) 5.396 13.892 ( 17.442 -5.664 6.770) 19.548 14.257 ( -5.462 -1.622 -4.121) 7.032 14.783 ( -15.232 -14.616 7.302) 22.338 14.937 ( -5.708 -11.618 -10.773) 16.841 15.846 ( 14.064 4.670 1.014) 14.853 16.103 ( 1.008 5.547 0.693) 5.680 16.334 ( -0.111 3.498 -0.592) 3.550 16.509 ( -3.290 1.951 -6.119) 7.216 17.559 ( 4.350 -0.933 23.951) 24.360 18.062 ( 1.119 -6.665 -11.678) 13.493 18.159 ( 4.791 -4.910 11.955) 13.784 18.468 ( -5.789 -5.606 -4.403) 9.183 18.558 ( -5.817 -1.107 6.890) 9.085 18.702 ( -1.537 0.721 -7.844) 8.026 19.962 ( -3.373 -7.416 19.012) 20.684 20.417 ( 5.578 -9.471 -29.656) 31.627 23.428 ( -6.640 4.119 27.911) 28.984 23.974 ( 1.832 1.169 -25.117) 25.211 24.324 ( -1.974 -5.518 12.556) 13.856 24.666 ( 4.673 -4.621 -21.302) 22.292 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -10.593 10.475 3.604) 15.328 1.972 ( -2.404 6.043 6.370) 9.103 2.270 ( -6.009 -8.199 1.418) 10.264 2.322 ( 0.475 -11.214 3.129) 11.652 2.515 ( -3.896 0.602 1.045) 4.078 2.560 ( 1.711 2.488 0.028) 3.020 2.670 ( 6.251 10.754 -6.216) 13.905 2.762 ( 10.936 -4.327 -9.324) 15.009 3.178 ( -5.730 3.447 0.957) 6.755 3.248 ( 3.433 8.879 7.528) 12.137 3.787 ( -7.732 -11.286 11.895) 18.129 3.936 ( 2.063 -15.656 2.666) 16.015 4.035 ( -4.963 3.211 11.248) 12.707 4.107 ( -6.747 6.520 4.343) 10.339 4.255 ( -1.342 0.238 6.086) 6.237 4.399 ( 4.442 -0.925 -8.324) 9.480 4.595 ( -2.596 4.092 13.137) 14.002 4.835 ( 1.513 6.451 -10.991) 12.834 5.111 ( -6.118 -0.831 5.579) 8.321 5.195 ( -3.981 5.665 8.151) 10.695 5.364 ( 3.250 1.549 -7.932) 8.711 5.389 ( -2.239 6.985 -9.569) 12.057 5.464 ( -0.461 2.315 -7.964) 8.306 5.592 ( 8.655 6.065 -2.086) 10.773 6.799 ( -7.479 1.134 4.794) 8.955 6.891 ( -4.820 -1.754 -1.498) 5.344 7.318 ( -4.185 6.879 14.965) 16.994 7.463 ( -1.051 -2.355 3.272) 4.166 7.567 ( 3.704 2.400 -2.532) 5.088 7.694 ( 7.692 -4.274 -7.879) 11.811 8.066 ( 4.192 7.302 9.042) 12.356 8.177 ( 0.328 7.536 -10.180) 12.670 8.535 ( -2.772 9.740 -0.480) 10.139 8.626 ( 1.821 9.744 -2.663) 10.264 9.005 ( -7.855 -3.603 3.984) 9.516 9.275 ( 9.907 -0.909 -5.147) 11.202 9.564 ( -2.864 2.604 7.891) 8.790 9.660 ( -7.926 4.359 4.940) 10.307 9.807 ( 3.562 3.132 -7.883) 9.200 9.897 ( 11.742 8.038 -3.114) 14.566 10.072 ( 3.644 10.152 15.963) 19.265 10.246 ( -5.411 11.190 -14.835) 19.354 10.965 ( -10.389 -5.184 -8.571) 14.432 11.032 ( 10.889 -7.711 8.539) 15.842 11.660 ( 4.341 4.472 9.049) 10.988 11.768 ( -0.759 3.521 -10.044) 10.671 12.161 ( -4.495 -0.626 6.976) 8.323 12.322 ( -1.432 -4.424 6.912) 8.331 12.339 ( 5.755 -2.643 -0.181) 6.336 12.521 ( 4.291 -10.278 -9.493) 14.635 13.508 ( -7.661 4.031 9.241) 12.662 13.757 ( 3.245 4.568 -4.505) 7.189 14.007 ( -14.932 -6.984 -5.580) 17.404 14.208 ( 10.492 -3.376 0.450) 11.031 14.698 ( 3.423 -10.118 13.267) 17.032 14.943 ( 9.666 -13.785 -8.412) 18.821 15.860 ( -18.018 6.832 -0.979) 19.295 16.114 ( 10.139 5.156 0.807) 11.403 16.349 ( -7.154 4.150 -2.103) 8.534 16.457 ( 3.685 1.408 -1.627) 4.267 17.703 ( 0.401 -4.124 21.674) 22.066 17.933 ( -7.525 -3.327 -10.430) 13.284 18.287 ( 3.269 -5.715 6.918) 9.551 18.397 ( -1.377 -6.069 -5.988) 8.636 18.540 ( 3.957 -1.580 6.623) 7.875 18.735 ( 7.569 1.127 -8.199) 11.215 19.917 ( -7.954 -6.677 21.839) 24.182 20.396 ( 1.593 -10.199 -26.131) 28.096 23.435 ( -2.437 4.385 29.093) 29.522 23.958 ( 5.439 2.102 -26.444) 27.079 24.316 ( -3.503 -5.580 14.217) 15.669 24.671 ( 3.198 -5.071 -21.592) 22.408 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -15.138 11.580 4.972) 19.697 1.951 ( -4.755 2.905 12.928) 14.077 2.096 ( -8.888 -3.436 -2.076) 9.753 2.366 ( 0.866 -2.549 3.062) 4.077 2.448 ( -3.754 0.253 -0.557) 3.804 2.522 ( -3.737 4.074 -10.367) 11.749 2.761 ( 6.090 5.849 -2.030) 8.684 2.956 ( 11.727 -7.018 -8.644) 16.171 3.203 ( 6.419 -2.746 2.008) 7.265 3.315 ( -0.560 10.345 13.248) 16.818 3.643 ( -7.669 -8.023 6.899) 13.068 3.850 ( -10.029 -6.064 0.214) 11.722 3.974 ( -7.940 1.214 10.631) 13.324 4.054 ( 1.456 -0.404 6.663) 6.832 4.212 ( -4.890 -2.572 4.345) 7.029 4.457 ( 2.243 0.087 -1.053) 2.479 4.571 ( -2.407 1.345 5.715) 6.345 4.756 ( -5.586 2.676 -9.434) 11.286 4.993 ( -7.197 2.262 4.897) 8.994 5.153 ( -3.308 1.907 3.815) 5.398 5.326 ( -0.924 8.189 -3.282) 8.871 5.359 ( 0.425 4.026 -8.976) 9.847 5.511 ( 4.934 3.816 -7.221) 9.542 5.734 ( 6.190 3.433 -0.007) 7.079 6.643 ( -9.566 1.736 4.111) 10.556 6.734 ( -9.737 -1.154 -0.308) 9.809 7.277 ( -4.921 4.523 13.869) 15.396 7.416 ( -3.647 -2.161 -0.439) 4.262 7.706 ( 8.836 2.188 1.875) 9.294 7.841 ( 8.804 -2.319 -7.550) 11.827 8.128 ( 2.051 8.316 -5.040) 9.938 8.223 ( 5.699 6.743 3.410) 9.464 8.505 ( -0.383 6.241 -1.405) 6.409 8.627 ( -0.593 11.314 -0.282) 11.333 8.974 ( 2.351 -6.275 5.686) 8.788 9.400 ( 3.827 3.565 -4.373) 6.818 9.483 ( -5.432 3.639 3.832) 7.578 9.628 ( 0.968 -3.997 10.057) 10.866 9.854 ( 2.325 5.565 -7.915) 9.951 10.040 ( 2.379 -2.581 -3.313) 4.827 10.139 ( -0.667 11.468 -6.127) 13.019 10.273 ( 13.194 16.166 11.332) 23.745 10.780 ( -5.098 -2.594 -7.232) 9.221 11.252 ( 8.743 -6.737 8.021) 13.645 11.712 ( 0.058 4.556 -14.297) 15.005 11.745 ( 2.104 2.831 6.628) 7.508 12.055 ( -6.172 -1.443 2.370) 6.767 12.319 ( -3.580 1.268 2.069) 4.325 12.431 ( 3.164 1.533 -0.377) 3.536 12.663 ( 12.134 -11.864 -1.315) 17.021 13.363 ( -9.768 1.871 3.583) 10.571 13.607 ( -22.212 -9.346 -7.112) 25.126 13.840 ( 8.047 3.702 0.301) 8.863 14.403 ( 10.021 5.626 -5.007) 12.536 14.884 ( 8.360 -3.609 12.764) 15.679 15.204 ( 17.576 -12.647 -3.001) 21.861 15.499 ( -18.887 3.670 3.434) 19.544 16.055 ( -9.157 4.467 -8.920) 13.541 16.355 ( 1.208 1.375 1.907) 2.644 16.469 ( -0.894 -2.739 2.531) 3.835 17.709 ( -2.680 -2.932 8.445) 9.332 17.785 ( -6.639 -4.157 0.668) 7.861 18.185 ( -6.994 -1.738 -5.891) 9.308 18.480 ( 2.421 -6.427 2.463) 7.296 18.708 ( 10.786 -2.311 3.063) 11.448 18.937 ( 16.780 -0.071 -6.880) 18.136 19.816 ( -10.141 -6.138 23.363) 26.198 20.306 ( -3.033 -10.916 -21.298) 24.124 23.516 ( 0.613 2.900 29.525) 29.674 24.008 ( 8.582 1.668 -25.610) 27.061 24.282 ( -4.863 -5.322 14.604) 16.286 24.650 ( 2.036 -5.523 -21.872) 22.650 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -8.773 11.411 9.587) 17.294 1.799 ( -11.885 -0.894 -3.197) 12.340 2.019 ( -1.599 7.301 13.602) 15.520 2.356 ( -2.200 4.770 -3.101) 6.099 2.378 ( -2.531 -4.291 2.011) 5.372 2.443 ( -0.162 0.397 -11.315) 11.324 2.878 ( 5.467 1.214 1.868) 5.903 3.089 ( 2.993 -2.191 -6.115) 7.152 3.290 ( 0.064 -1.912 8.422) 8.636 3.391 ( 7.675 5.829 2.332) 9.916 3.601 ( -0.167 -2.496 8.415) 8.779 3.687 ( -6.136 -15.005 -0.437) 16.217 3.824 ( -9.713 3.718 10.116) 14.508 4.117 ( -4.650 -4.477 -2.742) 7.014 4.134 ( 3.120 -0.892 11.419) 11.871 4.474 ( -1.396 0.083 -2.500) 2.865 4.511 ( -5.757 -2.110 9.291) 11.132 4.628 ( -3.746 1.311 -7.029) 8.072 4.907 ( -3.043 4.186 8.165) 9.667 5.096 ( -2.318 3.315 -2.050) 4.535 5.285 ( -1.764 8.117 -9.844) 12.880 5.343 ( 0.071 2.260 -8.379) 8.678 5.585 ( 4.795 4.391 -0.553) 6.525 5.806 ( 1.084 2.422 -1.009) 2.839 6.500 ( -5.836 2.891 3.261) 7.284 6.573 ( -6.400 0.788 -0.175) 6.450 7.233 ( -3.886 1.273 12.201) 12.868 7.356 ( -1.856 -3.224 -0.966) 3.844 7.837 ( 3.547 1.813 1.356) 4.208 7.932 ( 3.688 1.448 -8.945) 9.784 8.223 ( 9.343 7.386 -1.747) 12.037 8.337 ( 4.284 6.101 5.350) 9.176 8.499 ( -0.331 6.427 -0.658) 6.469 8.593 ( -2.997 8.067 -3.311) 9.221 9.082 ( 4.903 -5.979 10.592) 13.114 9.401 ( -1.495 5.780 4.675) 7.582 9.449 ( 1.730 0.647 -7.800) 8.015 9.679 ( -2.286 -5.912 7.752) 10.014 9.811 ( -1.639 2.801 -3.942) 5.106 10.059 ( 2.594 -3.915 -10.354) 11.370 10.157 ( 1.384 8.793 7.434) 11.598 10.446 ( -0.497 8.475 -2.241) 8.780 10.873 ( 17.644 6.921 4.388) 19.454 11.421 ( 8.611 -2.007 5.254) 10.285 11.652 ( -4.670 4.328 -8.578) 10.683 11.801 ( 1.350 1.627 6.766) 7.089 11.978 ( -1.406 0.924 -5.563) 5.812 12.181 ( -10.614 3.928 -2.903) 11.684 12.469 ( 1.865 0.101 3.304) 3.796 12.887 ( 10.004 -7.282 2.213) 12.570 13.085 ( -21.974 -4.465 -4.939) 22.960 13.248 ( -9.335 -3.857 -3.332) 10.636 14.098 ( 16.572 9.526 2.188) 19.240 14.511 ( 2.452 15.434 -10.492) 18.823 15.018 ( 1.744 -0.845 8.642) 8.857 15.182 ( -13.152 3.702 8.903) 16.308 15.523 ( 13.618 -10.611 -1.765) 17.354 15.964 ( 0.973 -0.644 -2.309) 2.587 16.245 ( -5.326 -9.530 -5.932) 12.425 16.469 ( -4.341 -3.942 5.564) 8.084 17.657 ( -7.292 -5.100 14.237) 16.789 17.719 ( 0.787 -0.636 -3.902) 4.031 18.109 ( 2.083 -1.155 -4.824) 5.380 18.421 ( -7.657 -5.076 -2.204) 9.447 18.935 ( 10.893 -1.876 4.993) 12.129 19.245 ( 14.810 -0.213 -10.579) 18.202 19.704 ( -8.514 -6.643 23.519) 25.879 20.166 ( -3.746 -11.404 -18.180) 21.785 23.626 ( 0.347 0.169 28.620) 28.623 24.095 ( 7.372 -0.250 -20.865) 22.130 24.240 ( -3.179 -4.389 11.347) 12.574 24.611 ( 1.571 -5.687 -22.140) 22.913 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -0.951 10.056 7.873) 12.807 1.726 ( 0.242 7.816 -8.014) 11.197 2.169 ( 0.247 -0.413 11.574) 11.584 2.303 ( 0.529 -3.440 0.093) 3.482 2.374 ( -0.961 3.767 0.055) 3.888 2.454 ( 0.044 4.814 -7.959) 9.302 2.895 ( -0.165 -3.087 7.240) 7.872 3.033 ( -2.679 -3.567 -6.091) 7.550 3.149 ( 3.111 -15.834 4.368) 16.718 3.243 ( -1.278 -13.888 -4.695) 14.716 3.524 ( -5.745 5.290 11.018) 13.505 3.638 ( 3.549 2.132 -0.653) 4.192 3.887 ( -1.361 -0.338 5.071) 5.262 4.007 ( -1.145 2.792 -3.157) 4.367 4.191 ( -0.991 -6.031 3.281) 6.937 4.239 ( 1.275 -5.324 -0.361) 5.487 4.609 ( -3.601 13.850 18.060) 23.043 4.757 ( 2.002 7.600 2.410) 8.221 4.990 ( 3.375 -0.212 9.023) 9.636 5.106 ( -4.768 1.898 -5.994) 7.891 5.347 ( 1.964 5.330 -8.813) 10.485 5.407 ( 1.274 8.454 -12.038) 14.765 5.709 ( 1.358 -0.031 2.838) 3.146 5.812 ( -1.426 0.470 -6.048) 6.232 6.543 ( 2.368 2.734 2.565) 4.434 6.555 ( -0.137 2.441 0.915) 2.611 7.188 ( -2.998 -1.436 8.264) 8.908 7.276 ( 1.994 -4.049 -0.377) 4.529 7.891 ( -1.806 2.360 2.816) 4.094 7.984 ( 1.605 0.697 -6.060) 6.308 8.374 ( 1.943 -2.044 4.867) 5.625 8.506 ( -4.354 -1.560 -8.662) 9.820 8.610 ( -3.018 10.555 7.651) 13.381 8.736 ( 4.966 11.170 -5.269) 13.311 9.118 ( 1.244 -2.912 13.764) 14.124 9.318 ( -4.836 -3.303 -7.316) 9.371 9.491 ( -1.587 -2.294 3.690) 4.626 9.591 ( 6.425 -1.264 -5.943) 8.843 9.863 ( -0.641 3.250 4.107) 5.276 9.952 ( -2.582 -1.279 -5.171) 5.920 10.359 ( 0.071 6.445 9.867) 11.786 10.491 ( -1.745 4.223 -3.791) 5.937 11.420 ( 11.136 7.986 9.443) 16.642 11.557 ( -2.675 5.710 -3.131) 7.040 11.705 ( 5.276 3.312 6.844) 9.254 11.826 ( -2.483 -2.240 -1.190) 3.550 11.993 ( -12.867 7.400 -4.121) 15.405 12.064 ( 0.347 4.390 -8.417) 9.499 12.578 ( 9.170 1.151 7.506) 11.906 12.704 ( -9.833 0.553 -5.273) 11.171 12.952 ( 7.462 -4.779 5.313) 10.332 13.035 ( -6.392 -3.978 -2.980) 8.097 14.639 ( 7.329 12.232 5.084) 15.138 14.736 ( -11.781 10.823 -4.397) 16.591 15.005 ( 0.254 -1.736 6.718) 6.943 15.101 ( 8.727 0.069 -3.843) 9.535 15.611 ( -5.616 -6.761 5.053) 10.139 15.722 ( 2.880 -5.928 -6.314) 9.127 16.087 ( -15.680 -9.373 2.350) 18.418 16.146 ( 15.111 -10.805 -3.714) 18.944 17.571 ( -3.903 1.364 15.891) 16.420 17.705 ( 0.306 -1.248 3.623) 3.844 18.145 ( -3.042 -1.440 -1.171) 3.563 18.201 ( 1.679 -2.465 -7.309) 7.894 19.092 ( 0.241 1.805 10.696) 10.850 19.318 ( -3.245 1.025 -11.071) 11.583 19.540 ( -0.120 -6.492 14.683) 16.054 19.900 ( 8.172 -11.272 -21.007) 25.202 23.689 ( -4.741 2.413 24.532) 25.103 24.035 ( -3.133 -5.384 11.607) 13.173 24.215 ( 5.392 -0.768 -20.601) 21.309 24.460 ( 3.778 -6.157 -23.022) 24.129 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 5.592 3.533 7.924) 10.322 1.785 ( 8.020 10.135 -6.670) 14.544 2.217 ( 1.625 -1.784 9.339) 9.646 2.294 ( -1.175 -5.154 -4.549) 6.974 2.394 ( 3.342 5.550 2.233) 6.853 2.465 ( 2.867 5.524 -4.417) 7.632 2.827 ( -8.279 -3.652 4.186) 9.970 2.934 ( -4.485 0.211 0.005) 4.490 3.153 ( -0.542 -15.351 -0.413) 15.366 3.315 ( 2.963 -10.885 -1.277) 11.353 3.482 ( 0.880 4.233 10.380) 11.244 3.737 ( 4.215 2.045 2.295) 5.216 3.884 ( -0.375 -2.816 3.309) 4.361 3.968 ( -0.585 -0.683 4.018) 4.118 4.200 ( 2.970 -4.315 -1.863) 5.559 4.376 ( 7.758 -0.316 2.780) 8.247 4.595 ( -3.182 13.105 15.717) 20.709 4.827 ( 5.191 6.914 0.918) 8.694 5.020 ( -1.121 0.499 -6.057) 6.180 5.109 ( 5.026 -0.970 8.512) 9.933 5.388 ( 4.918 6.724 -7.522) 11.224 5.400 ( 1.693 8.519 -11.112) 14.104 5.713 ( -2.006 -1.445 2.744) 3.693 5.755 ( -2.080 1.494 -6.081) 6.599 6.608 ( 5.815 2.109 -2.264) 6.587 6.633 ( 5.816 2.580 0.787) 6.411 7.207 ( 2.537 -2.362 7.064) 7.869 7.341 ( 4.343 -3.212 0.719) 5.449 7.829 ( -5.608 2.945 3.817) 7.396 7.949 ( -3.708 0.836 -5.333) 6.549 8.325 ( -11.022 3.500 -2.340) 11.798 8.413 ( 0.489 -3.646 5.619) 6.716 8.539 ( -3.926 6.341 0.639) 7.485 8.864 ( 6.486 9.841 -3.668) 12.344 9.148 ( -4.145 -4.522 7.488) 9.680 9.192 ( -2.703 -0.828 -0.019) 2.827 9.516 ( 3.337 -0.722 -1.315) 3.659 9.699 ( 6.098 -2.533 -6.809) 9.485 9.805 ( -4.130 4.620 3.375) 7.056 9.925 ( -2.056 -0.576 2.003) 2.927 10.400 ( 0.989 4.188 8.588) 9.606 10.450 ( -1.658 5.457 -1.630) 5.932 11.264 ( -16.464 11.860 -9.951) 22.599 11.595 ( -10.235 0.618 -11.223) 15.201 11.645 ( -0.637 10.649 7.393) 12.979 11.818 ( 4.523 1.769 12.212) 13.142 11.940 ( 2.057 -1.894 -3.912) 4.809 12.097 ( 2.196 1.489 7.395) 7.857 12.552 ( -5.480 1.624 -3.043) 6.475 12.817 ( -7.355 -6.132 -4.100) 10.416 12.911 ( 17.080 1.371 6.475) 18.318 13.169 ( 11.347 -2.070 3.108) 11.945 14.369 ( -20.640 9.584 -5.447) 23.400 14.572 ( -10.289 8.511 9.000) 16.103 15.095 ( -2.051 -6.141 -3.614) 7.414 15.205 ( -9.090 -14.104 -1.005) 16.810 15.451 ( 6.602 5.925 -2.600) 9.244 15.866 ( -2.151 0.919 5.323) 5.815 15.973 ( 14.760 -7.263 0.472) 16.457 16.434 ( 13.352 -9.134 -4.202) 16.714 17.538 ( -4.820 2.259 16.340) 17.185 17.741 ( 2.200 -2.997 3.563) 5.150 18.044 ( -3.077 0.922 -0.195) 3.218 18.305 ( 6.622 -6.501 -2.589) 9.634 18.971 ( -12.321 2.391 4.532) 13.344 19.137 ( -12.882 0.768 -2.073) 13.070 19.641 ( 6.205 -5.053 7.417) 10.911 20.044 ( 11.877 -12.200 -24.010) 29.434 23.647 ( -7.565 3.409 24.302) 25.680 24.023 ( -1.668 -4.722 7.943) 9.390 24.228 ( 2.632 -1.670 -17.157) 17.438 24.479 ( 5.821 -6.113 -22.600) 24.125 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 4.451 -3.291 6.863) 8.817 1.933 ( 7.942 7.778 -4.356) 11.939 2.246 ( -1.418 -3.222 -5.614) 6.626 2.271 ( -0.787 -6.632 4.330) 7.960 2.483 ( 4.781 1.764 -2.173) 5.540 2.539 ( 5.701 7.670 2.588) 9.901 2.704 ( -4.225 -1.489 2.366) 5.066 2.865 ( -3.070 8.460 3.271) 9.575 3.172 ( 1.938 -6.662 5.187) 8.663 3.291 ( -1.008 -9.638 -1.725) 9.843 3.628 ( 6.517 -0.686 7.489) 9.951 3.769 ( -0.263 6.946 -1.877) 7.200 3.866 ( -1.510 -2.185 12.272) 12.556 4.080 ( 7.510 -7.696 4.562) 11.680 4.212 ( -0.989 -4.469 0.643) 4.622 4.467 ( -0.920 4.552 2.645) 5.344 4.643 ( 4.019 10.530 13.611) 17.673 4.927 ( 4.687 10.100 -6.348) 12.817 5.056 ( 6.903 -1.870 -3.512) 7.967 5.197 ( 0.463 -3.635 7.866) 8.678 5.403 ( 1.968 8.364 -7.743) 11.566 5.455 ( 4.299 5.857 -6.890) 10.013 5.666 ( -2.360 1.929 -3.822) 4.889 5.697 ( -2.682 -0.059 -2.759) 3.848 6.743 ( 8.364 1.107 -3.078) 8.981 6.750 ( 6.769 1.102 -0.723) 6.896 7.311 ( 5.127 -1.575 5.778) 7.884 7.419 ( 2.021 -2.311 4.098) 5.121 7.711 ( -7.037 1.688 1.286) 7.350 7.801 ( -9.668 0.800 -4.325) 10.622 8.159 ( -5.431 6.722 4.150) 9.587 8.410 ( -2.995 2.043 0.263) 3.635 8.506 ( 1.596 0.203 3.868) 4.189 8.912 ( -0.267 6.055 -3.264) 6.884 9.084 ( 0.773 4.645 -6.498) 8.024 9.194 ( -1.853 -4.458 7.476) 8.900 9.595 ( 5.184 -2.199 -0.464) 5.651 9.729 ( 1.582 0.021 -6.490) 6.680 9.811 ( -0.854 -0.280 5.713) 5.783 9.855 ( -3.987 6.166 4.685) 8.710 10.371 ( -4.409 8.920 -0.261) 9.954 10.503 ( 5.291 -0.314 9.192) 10.611 10.932 ( -12.851 12.520 -14.025) 22.773 11.354 ( -10.795 -0.673 -11.293) 15.637 11.631 ( -3.076 8.690 9.722) 13.397 11.919 ( 0.435 1.744 -2.128) 2.785 12.000 ( 7.716 0.664 4.290) 8.853 12.128 ( -3.162 -4.265 12.125) 13.236 12.457 ( -4.617 -1.005 -0.555) 4.758 12.576 ( -12.087 -3.934 -5.228) 13.744 13.348 ( 22.110 -1.709 5.966) 22.964 13.430 ( 15.260 1.734 2.136) 15.506 14.006 ( -14.373 7.110 -4.480) 16.649 14.399 ( -10.526 2.642 4.081) 11.594 14.845 ( -22.373 -15.962 0.692) 27.493 14.910 ( -12.744 -12.163 -5.329) 18.405 15.682 ( 14.623 7.097 -0.072) 16.254 16.050 ( 14.214 9.961 3.799) 17.768 16.229 ( 10.781 -6.894 3.328) 13.222 16.569 ( 2.629 -2.926 -7.212) 8.215 17.510 ( -3.478 2.491 18.113) 18.611 17.809 ( 3.930 -6.785 1.841) 8.054 18.049 ( 2.198 1.006 4.159) 4.811 18.381 ( 1.397 -8.539 -2.961) 9.145 18.747 ( -11.544 2.748 2.389) 12.105 18.875 ( -11.882 1.488 -3.112) 12.372 19.766 ( 3.460 -5.404 8.545) 10.687 20.151 ( 7.825 -12.735 -25.667) 29.702 23.581 ( -7.301 5.570 24.546) 26.208 24.014 ( -0.424 -2.543 -1.702) 3.089 24.218 ( 0.740 -2.834 -7.848) 8.377 24.519 ( 5.739 -6.714 -22.529) 24.198 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 3.713 -8.184 7.627) 11.787 2.024 ( 2.740 3.198 -1.463) 4.458 2.188 ( -4.296 -9.724 -3.004) 11.047 2.209 ( -3.360 -3.458 -2.469) 5.417 2.563 ( 3.871 1.023 -0.369) 4.020 2.637 ( -0.172 6.055 -0.283) 6.064 2.691 ( 5.393 5.233 1.013) 7.583 2.822 ( -3.815 11.913 2.801) 12.818 3.267 ( 7.656 5.666 2.885) 9.952 3.331 ( 1.378 -12.684 6.439) 14.291 3.643 ( -2.676 2.165 0.157) 3.446 3.714 ( -6.219 0.444 2.914) 6.882 3.993 ( 7.819 -0.254 13.092) 15.251 4.182 ( -0.704 -4.840 10.209) 11.320 4.235 ( 4.535 -9.035 -1.085) 10.167 4.399 ( -5.185 4.647 -2.251) 7.317 4.744 ( 0.234 10.325 14.436) 17.750 4.982 ( 3.840 9.399 -7.768) 12.783 5.130 ( -4.500 -1.163 7.952) 9.211 5.227 ( 6.765 -4.005 -6.554) 10.235 5.398 ( -1.544 6.217 0.477) 6.423 5.531 ( 5.506 4.809 -10.590) 12.869 5.598 ( -4.444 2.613 -1.017) 5.255 5.642 ( 0.328 4.177 -7.678) 8.747 6.844 ( 2.562 0.281 1.838) 3.165 6.882 ( 4.805 -0.187 -2.999) 5.667 7.384 ( -0.889 -2.134 4.867) 5.388 7.413 ( -1.569 -2.822 7.158) 7.852 7.602 ( -6.013 1.439 -0.357) 6.193 7.655 ( -0.863 2.173 -5.724) 6.183 8.145 ( 0.911 8.289 9.633) 12.741 8.341 ( -2.568 5.058 -3.420) 6.623 8.609 ( 6.624 -0.247 5.343) 8.514 8.862 ( -2.976 5.903 -6.230) 9.084 9.113 ( -1.498 1.524 -0.653) 2.234 9.147 ( 0.537 1.489 -3.641) 3.971 9.680 ( -2.805 1.688 5.971) 6.809 9.723 ( -1.326 -2.593 10.850) 11.234 9.777 ( 5.504 0.792 -7.957) 9.707 9.876 ( 1.518 4.497 -2.810) 5.516 10.299 ( -2.417 13.405 8.106) 15.851 10.653 ( 3.456 4.310 -2.417) 6.030 10.716 ( -2.365 3.866 -4.840) 6.631 11.099 ( -11.693 -4.644 -11.739) 17.208 11.643 ( 1.775 5.630 10.165) 11.755 11.879 ( -3.643 0.638 -4.373) 5.728 12.089 ( -2.703 -3.205 11.331) 12.082 12.173 ( 7.591 1.061 4.761) 9.023 12.351 ( -3.597 -5.502 -5.462) 8.547 12.408 ( -5.206 -0.697 -1.934) 5.597 13.656 ( 5.987 2.940 8.311) 10.657 13.765 ( 16.145 1.722 -1.810) 16.338 13.843 ( 0.390 2.570 1.329) 2.920 14.167 ( -14.387 -6.951 -5.519) 16.905 14.512 ( -11.245 -11.033 7.141) 17.296 14.677 ( -7.387 -12.701 -7.330) 16.420 15.967 ( 13.956 6.972 4.655) 16.281 16.240 ( 0.046 7.104 -1.096) 7.189 16.378 ( 5.328 0.184 2.747) 5.997 16.534 ( -1.675 0.600 -7.380) 7.591 17.543 ( 0.206 -0.270 21.243) 21.246 17.874 ( 0.953 -10.137 0.327) 10.187 18.116 ( 3.175 -0.439 3.084) 4.448 18.331 ( -3.202 -7.050 -6.899) 10.371 18.582 ( -6.851 3.350 8.486) 11.409 18.734 ( -1.144 1.929 -8.005) 8.314 19.814 ( -1.918 -6.025 11.978) 13.544 20.181 ( 4.363 -13.143 -25.513) 29.029 23.543 ( -5.042 7.160 24.946) 26.438 24.002 ( 1.585 0.305 -11.214) 11.329 24.207 ( -0.847 -4.380 1.421) 4.682 24.543 ( 4.480 -7.272 -22.710) 24.263 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -3.392 -5.078 6.841) 9.171 2.029 ( -2.318 -3.506 -5.614) 7.013 2.103 ( -2.514 -2.909 4.583) 5.982 2.198 ( 3.206 -3.927 -0.106) 5.070 2.547 ( -4.138 4.065 0.222) 5.805 2.639 ( -2.155 3.213 1.526) 4.159 2.725 ( 1.947 2.430 -3.804) 4.916 2.883 ( 7.963 7.522 -3.495) 11.497 3.262 ( -8.110 3.088 3.103) 9.216 3.418 ( 3.427 -2.666 -0.778) 4.411 3.538 ( -7.437 1.372 9.731) 12.325 3.721 ( 5.175 -2.429 2.473) 6.229 4.097 ( -1.712 0.163 10.947) 11.081 4.154 ( -7.527 -4.131 9.658) 12.922 4.255 ( -1.238 -0.546 -10.176) 10.265 4.372 ( 5.097 -2.987 1.826) 6.183 4.732 ( -6.613 9.321 17.341) 20.768 4.974 ( -3.629 5.871 -2.477) 7.333 5.054 ( -3.754 0.448 0.796) 3.864 5.323 ( 2.287 -1.925 -0.475) 3.027 5.355 ( -2.380 4.670 -0.665) 5.283 5.518 ( -1.162 1.795 0.494) 2.195 5.536 ( 0.755 7.483 -12.490) 14.580 5.712 ( 6.776 4.522 -7.286) 10.929 6.810 ( -6.950 -0.068 4.016) 8.027 6.855 ( -6.340 -1.653 0.853) 6.608 7.407 ( 0.086 -1.804 2.907) 3.422 7.426 ( 0.026 1.377 7.052) 7.185 7.572 ( 4.539 -1.189 -0.533) 4.723 7.639 ( 1.182 -0.205 -3.175) 3.394 8.237 ( 5.027 9.165 9.015) 13.804 8.305 ( 0.370 5.600 -7.068) 9.025 8.704 ( -2.364 4.752 -0.373) 5.321 8.798 ( 2.296 2.239 -4.475) 5.505 8.997 ( -6.431 6.833 4.760) 10.522 9.243 ( 7.537 -0.223 -7.096) 10.355 9.600 ( -4.818 0.879 8.547) 9.851 9.689 ( -7.504 -2.194 4.797) 9.173 9.870 ( 5.445 0.129 -3.308) 6.373 9.946 ( 7.041 1.885 -8.214) 10.982 10.373 ( 5.704 15.436 15.064) 22.310 10.493 ( -7.616 11.077 -11.697) 17.819 10.865 ( -4.347 -4.889 -5.449) 8.514 10.905 ( 7.351 -4.337 3.733) 9.316 11.728 ( 1.357 2.253 6.245) 6.776 11.835 ( 3.202 1.905 -4.341) 5.721 12.102 ( -0.610 -2.792 9.846) 10.252 12.222 ( -1.810 -0.271 3.254) 3.734 12.354 ( 2.969 -3.661 -9.054) 10.207 12.389 ( 5.922 -0.355 -0.202) 5.936 13.621 ( -9.431 6.880 9.290) 14.920 13.820 ( -6.459 -1.308 3.390) 7.411 13.863 ( -10.580 -3.877 -9.468) 14.718 14.124 ( 17.999 -5.124 -0.723) 18.728 14.471 ( 4.176 -10.293 10.082) 15.001 14.692 ( 11.007 -10.408 -7.388) 16.854 16.032 ( -15.450 9.572 -1.992) 18.283 16.216 ( 7.110 4.769 2.117) 8.819 16.416 ( -3.664 1.887 1.009) 4.243 16.476 ( -2.681 -0.004 -4.459) 5.203 17.615 ( -1.182 -3.973 21.225) 21.626 17.807 ( -6.265 -8.216 -1.803) 10.488 18.217 ( 6.990 -1.586 0.738) 7.205 18.290 ( 0.471 -4.221 -8.783) 9.756 18.546 ( 0.692 2.581 9.310) 9.686 18.759 ( 6.025 0.884 -7.248) 9.467 19.780 ( -5.887 -5.660 14.545) 16.681 20.155 ( 0.962 -13.012 -22.445) 25.962 23.553 ( -2.460 7.279 25.128) 26.276 24.009 ( 3.929 1.715 -15.978) 16.544 24.191 ( -2.203 -5.182 6.239) 8.404 24.541 ( 3.118 -7.526 -22.940) 24.343 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -8.520 4.566 5.042) 10.902 1.920 ( -5.715 0.140 -5.837) 8.170 2.100 ( -0.515 0.645 8.412) 8.453 2.287 ( 3.068 -4.779 3.145) 6.492 2.470 ( -3.626 1.831 -1.184) 4.232 2.591 ( -1.688 2.353 -2.521) 3.839 2.770 ( 1.364 -5.361 -3.704) 6.657 2.920 ( 0.093 3.844 -3.360) 5.106 3.228 ( 3.526 4.296 1.023) 5.651 3.291 ( -7.942 -16.332 -1.376) 18.212 3.577 ( 1.191 12.282 12.030) 17.233 3.753 ( -3.991 -1.231 -1.711) 4.513 3.997 ( -8.502 -4.352 3.191) 10.070 4.088 ( -1.362 -0.132 12.163) 12.239 4.196 ( -2.439 0.408 -9.721) 10.030 4.448 ( -0.184 -4.541 4.264) 6.232 4.649 ( -6.814 10.068 18.676) 22.284 4.862 ( -6.989 6.931 -3.602) 10.482 4.969 ( -4.863 -0.826 4.274) 6.527 5.291 ( -2.544 7.278 -2.364) 8.064 5.346 ( 0.033 -3.050 0.146) 3.054 5.498 ( -0.485 7.442 -8.896) 11.608 5.577 ( 5.133 2.691 -3.796) 6.928 5.794 ( 3.992 1.581 -5.913) 7.308 6.663 ( -8.648 0.224 4.126) 9.585 6.715 ( -7.814 -0.820 2.894) 8.372 7.340 ( -6.204 0.841 6.988) 9.383 7.389 ( -6.121 0.133 2.136) 6.484 7.721 ( 9.054 -0.564 2.084) 9.308 7.764 ( 10.788 -3.910 -2.852) 11.824 8.292 ( 0.992 6.313 -8.178) 10.379 8.371 ( 6.011 9.035 6.569) 12.685 8.610 ( -2.682 2.814 -8.119) 9.002 8.853 ( 0.889 5.061 1.852) 5.462 8.944 ( -0.733 7.957 7.000) 10.623 9.349 ( 5.651 -4.252 -7.108) 10.027 9.547 ( -4.225 -0.962 3.420) 5.520 9.576 ( -4.049 -1.370 6.566) 7.835 9.899 ( -1.647 -1.716 -3.217) 4.001 10.021 ( 3.286 0.980 -6.045) 6.949 10.364 ( -3.556 10.045 -0.383) 10.663 10.565 ( 5.602 9.344 5.200) 12.072 10.777 ( 5.049 3.916 -2.540) 6.876 11.142 ( 11.348 -3.982 9.457) 15.299 11.762 ( 1.442 2.472 2.265) 3.649 11.876 ( 1.619 8.275 -5.215) 9.914 12.036 ( -5.159 -1.048 2.253) 5.726 12.354 ( 2.853 2.761 0.963) 4.085 12.405 ( 10.039 -10.597 -3.952) 15.122 12.487 ( 5.286 0.602 1.176) 5.449 13.417 ( -13.933 2.919 2.421) 14.440 13.464 ( -20.914 -4.091 -4.270) 21.734 13.906 ( 9.751 3.068 5.282) 11.506 14.472 ( 18.345 -0.753 -3.288) 18.653 14.706 ( 15.006 -12.320 10.492) 22.069 14.941 ( 15.389 -8.801 -4.233) 18.226 15.687 ( -18.876 11.673 -0.820) 22.208 16.155 ( -10.170 5.196 -6.600) 13.191 16.308 ( -10.819 -5.375 -5.102) 13.114 16.430 ( -1.024 -1.895 7.288) 7.600 17.618 ( -4.763 -4.479 17.473) 18.656 17.714 ( -2.081 -3.081 -0.175) 3.722 18.196 ( -4.360 2.024 -7.122) 8.593 18.361 ( 3.598 -4.816 -2.447) 6.490 18.685 ( 10.359 0.448 5.167) 11.585 18.925 ( 13.930 -1.665 -3.515) 14.462 19.696 ( -7.721 -4.358 14.301) 16.826 20.069 ( -3.115 -11.945 -17.702) 21.581 23.605 ( -0.936 5.870 25.029) 25.726 24.044 ( 4.442 0.265 -13.317) 14.041 24.166 ( -1.918 -4.172 3.914) 6.034 24.516 ( 2.212 -7.398 -23.132) 24.387 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -9.223 12.003 6.278) 16.388 1.805 ( -4.632 2.800 -6.970) 8.825 2.127 ( 0.118 1.740 10.825) 10.964 2.306 ( -0.842 -3.245 1.527) 3.684 2.407 ( -2.401 1.512 -1.384) 3.157 2.514 ( -3.656 4.644 -6.920) 9.101 2.821 ( 4.565 -5.110 4.165) 8.019 2.980 ( 6.338 -7.029 -5.371) 10.882 3.156 ( -4.085 -10.676 0.559) 11.444 3.305 ( -0.214 -9.171 0.099) 9.174 3.580 ( -4.879 5.864 11.822) 14.070 3.650 ( -2.803 5.896 -3.860) 7.584 3.897 ( -2.733 -0.923 3.334) 4.409 4.062 ( -4.122 -2.185 0.156) 4.668 4.152 ( 0.460 0.575 0.293) 0.792 4.371 ( -8.523 -7.866 3.382) 12.081 4.615 ( -3.715 11.892 19.024) 22.740 4.749 ( -2.507 8.488 -0.886) 8.895 4.935 ( -0.536 -0.575 7.242) 7.285 5.216 ( -4.348 4.924 -4.943) 8.221 5.347 ( 1.274 1.195 -7.277) 7.483 5.447 ( -1.678 7.919 -8.800) 11.957 5.655 ( 3.731 1.889 -0.629) 4.229 5.830 ( 1.635 -0.454 -5.363) 5.625 6.548 ( -4.172 1.782 3.749) 5.886 6.601 ( -5.083 1.368 3.212) 6.167 7.252 ( -5.819 0.009 8.279) 10.120 7.285 ( -3.518 -2.932 0.133) 4.582 7.863 ( 4.247 0.755 2.222) 4.852 7.927 ( 6.553 -1.693 -4.286) 8.011 8.313 ( 3.202 2.896 -1.695) 4.638 8.507 ( 6.874 9.584 3.715) 12.365 8.564 ( -0.139 0.468 -8.123) 8.138 8.804 ( -5.631 10.641 1.013) 12.082 9.022 ( 4.254 0.383 10.223) 11.079 9.384 ( -0.065 -3.669 -7.044) 7.942 9.513 ( 1.711 0.527 -2.400) 2.994 9.543 ( -3.204 -6.492 7.129) 10.161 9.852 ( -0.680 1.727 -1.725) 2.534 10.022 ( -1.526 -0.299 -4.709) 4.959 10.337 ( -1.016 8.394 7.493) 11.298 10.546 ( -2.603 2.236 -4.574) 5.718 11.077 ( 19.149 11.191 7.971) 23.569 11.386 ( 11.679 -1.070 9.280) 14.955 11.753 ( -3.730 4.264 -0.372) 5.678 11.858 ( -1.737 3.917 -0.513) 4.316 12.023 ( 3.439 3.948 -6.314) 8.202 12.269 ( -8.173 3.814 -7.707) 11.863 12.482 ( 0.855 0.393 3.238) 3.372 12.724 ( 12.889 -8.305 4.565) 15.998 13.019 ( -20.314 -0.857 -4.975) 20.932 13.207 ( -10.385 -1.505 -0.540) 10.507 14.251 ( 22.794 6.471 6.729) 24.632 14.746 ( 11.505 7.195 -8.670) 16.103 14.977 ( 7.059 -5.240 8.234) 12.045 15.142 ( -2.467 -7.926 4.540) 9.462 15.441 ( 1.948 5.575 -0.943) 5.980 15.974 ( -5.758 1.657 -4.766) 7.656 16.029 ( -12.417 -10.566 -6.490) 17.548 16.350 ( -10.412 -7.565 4.737) 13.714 17.587 ( -3.667 -1.150 15.797) 16.257 17.702 ( -0.572 -1.271 2.433) 2.804 18.124 ( 0.188 2.150 -6.112) 6.482 18.322 ( -5.383 -4.375 -5.362) 8.768 18.922 ( 11.702 0.887 5.976) 13.169 19.218 ( 15.347 -3.300 -3.433) 16.069 19.584 ( -8.110 -3.571 11.295) 14.356 19.939 ( -4.103 -10.690 -14.836) 18.741 23.666 ( -1.540 3.696 24.816) 25.137 24.061 ( -1.917 -4.725 5.833) 7.748 24.170 ( 4.614 -0.317 -14.875) 15.577 24.481 ( 2.195 -6.861 -23.246) 24.337 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -2.576 11.753 5.153) 13.089 1.910 ( 1.615 8.729 -6.103) 10.773 2.057 ( -0.889 -7.493 6.422) 9.908 2.163 ( -0.102 -9.722 -4.179) 10.582 2.485 ( 0.550 3.700 1.196) 3.927 2.508 ( -0.127 0.646 -1.110) 1.290 2.871 ( 2.955 0.034 6.428) 7.075 2.917 ( 2.127 -6.014 7.117) 9.557 2.995 ( -1.684 1.632 -6.527) 6.936 3.063 ( -2.089 -4.542 -7.839) 9.298 3.585 ( -2.956 -1.189 3.748) 4.919 3.592 ( 0.137 -3.531 2.640) 4.411 3.890 ( -7.692 3.892 13.287) 15.838 4.007 ( -9.075 -5.500 12.557) 16.441 4.143 ( 6.717 3.635 -8.882) 11.714 4.199 ( 7.235 -1.260 -5.633) 9.255 4.793 ( -1.173 5.090 9.073) 10.469 4.876 ( -2.590 -0.758 1.615) 3.145 4.994 ( 2.723 4.774 7.833) 9.569 5.095 ( -2.803 -3.134 -1.879) 4.605 5.504 ( 1.150 9.199 -3.000) 9.744 5.609 ( 1.369 10.056 -10.195) 14.385 5.661 ( 0.241 -5.198 0.521) 5.230 5.769 ( 0.508 -5.044 -7.919) 9.402 6.584 ( 1.926 1.264 3.261) 3.993 6.590 ( 0.424 0.780 2.525) 2.676 7.169 ( -2.524 -0.096 5.468) 6.023 7.198 ( 0.442 -3.020 2.685) 4.065 7.937 ( 0.022 2.112 1.778) 2.761 7.974 ( 1.633 -1.422 -1.415) 2.587 8.375 ( -0.846 2.290 -0.204) 2.450 8.445 ( -2.528 -3.829 -7.051) 8.413 8.801 ( -3.185 7.597 8.194) 11.619 8.886 ( 0.474 1.231 2.071) 2.456 9.098 ( -0.008 3.143 2.888) 4.269 9.221 ( -1.975 -6.406 -6.987) 9.682 9.469 ( 2.026 0.511 1.420) 2.526 9.515 ( 4.047 -3.899 -3.059) 6.398 9.932 ( -0.292 2.939 2.393) 3.801 9.962 ( -2.101 0.176 -0.770) 2.245 10.481 ( -0.660 4.954 6.543) 8.234 10.536 ( -0.655 -0.152 0.840) 1.076 11.559 ( 9.446 5.241 8.105) 13.505 11.619 ( 7.439 -0.178 3.472) 8.212 11.763 ( -1.750 2.185 1.197) 3.044 11.795 ( -3.724 -1.167 -1.285) 4.109 12.105 ( -12.283 3.880 -5.147) 13.871 12.136 ( -3.608 1.296 -7.832) 8.720 12.633 ( 9.715 4.045 5.208) 11.741 12.707 ( -0.106 -1.679 -2.137) 2.719 12.882 ( 1.692 -0.328 3.901) 4.265 12.945 ( -6.923 -4.746 -2.241) 8.688 14.800 ( 10.567 3.573 3.722) 11.760 14.833 ( -5.100 0.101 0.767) 5.159 15.032 ( -7.378 4.410 5.678) 10.301 15.108 ( 2.612 -1.206 -1.449) 3.222 15.527 ( -2.540 0.054 0.304) 2.559 15.601 ( 4.378 -5.692 -6.599) 9.752 15.954 ( -8.088 -2.964 0.812) 8.652 15.977 ( 6.242 -5.089 -1.631) 8.217 17.621 ( -2.580 3.022 14.388) 14.927 17.675 ( -1.136 -2.026 9.535) 9.813 18.136 ( -2.235 0.426 -3.779) 4.411 18.158 ( -0.591 -1.664 -6.239) 6.484 19.159 ( 0.345 4.718 11.099) 12.065 19.272 ( -1.335 -5.611 7.785) 9.689 19.521 ( 2.371 5.049 -9.959) 11.414 19.682 ( 5.414 -9.837 -18.179) 21.367 23.772 ( -4.343 5.549 21.458) 22.585 23.903 ( -3.944 -6.933 18.464) 20.113 24.243 ( 5.116 3.270 -25.145) 25.868 24.337 ( 4.449 -5.619 -24.303) 25.338 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.561 11.040 5.184) 12.209 1.980 ( 6.540 7.769 -4.297) 11.027 2.068 ( -0.625 -10.248 5.721) 11.753 2.164 ( 1.562 -7.653 -2.435) 8.182 2.494 ( 1.356 3.713 -0.993) 4.076 2.536 ( 2.593 0.507 -0.432) 2.677 2.798 ( -7.028 0.832 -0.279) 7.083 2.883 ( -3.083 -8.508 -1.662) 9.201 3.016 ( 4.158 7.415 0.650) 8.526 3.160 ( 7.969 -5.882 -0.152) 9.906 3.591 ( 1.925 3.145 7.417) 8.283 3.666 ( 5.772 -6.151 3.971) 9.323 3.810 ( -4.710 0.889 12.272) 13.175 3.902 ( -5.764 -5.311 13.555) 15.658 4.273 ( 7.662 7.012 -10.059) 14.459 4.366 ( 10.319 -1.776 -3.752) 11.122 4.781 ( -2.757 4.967 10.844) 12.242 4.854 ( 1.687 -2.342 1.303) 3.166 5.071 ( 0.912 2.236 -3.251) 4.050 5.087 ( 3.373 -0.275 7.799) 8.502 5.524 ( 1.406 6.803 0.057) 6.947 5.593 ( -0.007 7.976 -6.821) 10.495 5.657 ( -0.275 -3.187 -2.177) 3.869 5.741 ( -0.195 -3.571 -10.085) 10.701 6.642 ( 4.825 1.351 -1.110) 5.132 6.659 ( 4.944 0.017 0.277) 4.952 7.197 ( 3.434 1.549 6.027) 7.107 7.261 ( 4.511 -4.164 4.034) 7.346 7.890 ( -5.238 2.923 0.162) 6.000 7.940 ( -4.459 -1.675 -3.597) 5.969 8.354 ( -4.895 0.080 -0.143) 4.898 8.360 ( -1.659 -1.087 3.487) 4.012 8.702 ( -6.761 9.044 4.614) 12.198 8.880 ( -3.747 -7.181 5.523) 9.804 9.146 ( 4.123 3.841 0.612) 5.668 9.193 ( 0.216 -0.318 -1.844) 1.884 9.512 ( 2.687 0.952 -2.657) 3.897 9.582 ( 4.378 -5.906 -6.889) 10.075 9.901 ( -2.322 3.946 1.947) 4.975 9.943 ( -0.979 0.053 2.646) 2.822 10.489 ( -0.611 3.936 6.454) 7.584 10.524 ( -1.150 1.094 1.107) 1.935 11.472 ( -12.935 7.683 -9.997) 18.063 11.571 ( -9.718 -2.488 -11.099) 14.961 11.832 ( 5.668 5.129 2.083) 7.923 11.857 ( 2.560 1.893 6.717) 7.434 11.929 ( -3.014 2.419 7.872) 8.770 12.050 ( -4.583 -5.854 7.820) 10.790 12.607 ( -6.175 3.819 -4.434) 8.508 12.700 ( -6.758 -5.188 -5.089) 9.924 12.991 ( 16.260 5.622 4.838) 17.872 13.103 ( 14.648 -4.636 4.040) 15.887 14.552 ( -19.646 9.603 -6.992) 22.958 14.719 ( -14.158 2.030 4.329) 14.943 14.873 ( -13.751 -8.053 -0.600) 15.947 14.973 ( -14.587 -9.186 5.787) 18.184 15.609 ( 11.383 9.144 -1.924) 14.727 15.798 ( 13.603 -8.937 -1.593) 16.354 16.002 ( 11.881 9.708 2.077) 15.483 16.222 ( 15.809 -11.158 -1.824) 19.436 17.604 ( -3.729 3.914 13.908) 14.921 17.681 ( -1.400 -3.343 9.177) 9.867 18.089 ( -0.812 3.377 -0.282) 3.485 18.180 ( 2.616 -5.493 -1.514) 6.269 19.044 ( -11.877 4.369 3.966) 13.262 19.123 ( -12.671 -2.645 1.543) 13.035 19.627 ( 8.421 4.280 -6.310) 11.360 19.796 ( 9.992 -11.248 -17.754) 23.272 23.750 ( -5.174 6.437 21.593) 23.119 23.895 ( -3.226 -7.312 18.187) 19.865 24.250 ( 4.124 3.492 -24.604) 25.190 24.352 ( 5.218 -6.041 -24.003) 25.296 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -0.862 7.534 4.155) 8.647 2.039 ( -3.144 -12.041 0.222) 12.447 2.068 ( 2.367 5.350 -2.085) 6.210 2.179 ( -1.085 -5.198 -1.080) 5.418 2.542 ( 4.122 4.172 -0.960) 5.943 2.610 ( 5.581 -0.842 0.302) 5.653 2.731 ( 0.667 3.917 -1.713) 4.327 2.871 ( 2.660 -10.270 -2.071) 10.809 3.119 ( 5.510 10.402 6.053) 13.236 3.274 ( 3.573 -2.087 1.960) 4.579 3.684 ( 2.218 4.616 9.582) 10.864 3.782 ( 4.328 -4.686 2.355) 6.799 3.799 ( -0.057 -0.495 15.697) 15.705 3.909 ( 3.347 -7.721 10.365) 13.351 4.288 ( -2.964 9.437 -6.382) 11.772 4.461 ( -0.658 -5.463 -4.591) 7.166 4.833 ( 5.115 8.031 10.310) 14.033 4.976 ( 9.484 -5.605 -0.140) 11.018 5.091 ( 2.370 4.611 -4.512) 6.873 5.143 ( -0.263 -1.306 6.737) 6.867 5.534 ( -1.507 4.547 3.423) 5.887 5.577 ( -0.250 3.576 -1.113) 3.754 5.649 ( 1.201 0.337 -6.252) 6.375 5.708 ( 0.929 -1.559 -13.392) 13.514 6.756 ( 7.571 0.397 -3.528) 8.362 6.762 ( 6.043 -0.044 -1.789) 6.302 7.306 ( 4.412 1.285 6.406) 7.884 7.357 ( 2.254 -3.275 6.249) 7.407 7.755 ( -7.178 2.370 -3.409) 8.292 7.796 ( -8.158 -1.308 -5.152) 9.737 8.282 ( -2.381 4.979 6.256) 8.342 8.368 ( 0.547 -3.775 6.819) 7.814 8.611 ( -3.902 8.712 4.370) 10.499 8.819 ( -3.541 -10.376 3.963) 11.658 9.196 ( 1.065 4.503 -1.389) 4.831 9.226 ( 2.911 3.030 0.359) 4.217 9.556 ( 2.827 -0.114 -1.788) 3.347 9.629 ( 2.747 -6.213 -5.555) 8.775 9.884 ( -0.444 4.449 1.443) 4.698 9.931 ( -0.467 0.507 0.075) 0.693 10.502 ( -1.428 3.299 3.779) 5.216 10.515 ( 1.389 1.000 7.038) 7.243 11.163 ( -13.968 9.439 -13.398) 21.534 11.303 ( -13.153 -4.411 -14.180) 19.838 11.799 ( -5.472 7.648 8.681) 12.798 11.941 ( -5.053 -3.233 6.618) 8.932 11.992 ( 6.740 -0.148 2.222) 7.099 12.029 ( 3.525 -2.994 6.017) 7.589 12.466 ( -7.772 2.439 -1.285) 8.246 12.524 ( -8.869 -2.547 -2.214) 9.490 13.371 ( 20.123 3.298 4.367) 20.854 13.434 ( 18.430 -1.715 3.391) 18.818 14.162 ( -16.603 9.006 -8.597) 20.753 14.383 ( -19.936 -9.550 -6.609) 23.072 14.585 ( -14.610 -0.632 5.095) 15.486 14.707 ( -15.241 -8.748 5.686) 18.470 15.860 ( 13.946 9.762 3.045) 17.293 16.060 ( 12.908 -9.442 3.798) 16.438 16.268 ( 13.272 10.630 -1.196) 17.046 16.460 ( 9.190 -7.698 -5.162) 13.052 17.579 ( -3.444 4.422 13.672) 14.776 17.685 ( -1.058 -5.673 7.715) 9.634 18.100 ( 1.027 4.101 2.981) 5.173 18.216 ( 0.805 -7.182 -0.198) 7.230 18.824 ( -10.902 4.178 1.198) 11.736 18.885 ( -10.874 -1.189 -1.589) 11.054 19.736 ( 4.477 3.191 -4.392) 7.037 19.894 ( 6.109 -11.381 -17.634) 21.859 23.724 ( -4.741 8.214 21.702) 23.683 23.897 ( -2.597 -8.098 17.263) 19.244 24.243 ( 3.431 4.699 -23.507) 24.217 24.372 ( 4.941 -7.282 -23.844) 25.416 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -0.094 2.792 5.117) 5.830 1.960 ( -4.236 -9.449 -1.229) 10.428 2.073 ( -0.086 1.215 -1.480) 1.917 2.129 ( -1.971 -4.013 -3.431) 5.635 2.630 ( 4.185 5.349 1.333) 6.921 2.714 ( 2.517 0.136 -0.820) 2.651 2.776 ( 5.292 3.430 -2.018) 6.621 2.893 ( -2.163 -6.590 -1.763) 7.156 3.248 ( 4.894 6.932 9.541) 12.768 3.345 ( 3.086 0.073 3.014) 4.315 3.687 ( -1.938 6.231 9.875) 11.836 3.803 ( -2.089 -1.464 4.618) 5.275 3.969 ( 8.381 -0.644 10.987) 13.834 4.034 ( 5.666 -7.414 5.970) 11.077 4.184 ( -5.019 6.083 -1.277) 7.988 4.361 ( -6.349 -7.602 -5.984) 11.572 4.939 ( 0.268 8.490 11.683) 14.444 5.078 ( -3.550 -4.738 10.469) 12.027 5.137 ( 4.474 4.739 -8.784) 10.938 5.183 ( 6.686 -0.575 -5.945) 8.965 5.494 ( -3.808 3.751 5.278) 7.512 5.557 ( -3.230 -1.930 5.502) 6.665 5.663 ( 3.316 3.767 -12.353) 13.334 5.701 ( 3.459 0.630 -12.686) 13.164 6.854 ( 2.580 0.727 0.003) 2.680 6.871 ( 3.743 -0.808 -2.204) 4.418 7.341 ( -2.843 -1.133 4.170) 5.173 7.352 ( -1.199 -2.219 3.437) 4.263 7.652 ( -3.769 2.312 -0.389) 4.438 7.678 ( -2.026 -0.102 -3.077) 3.686 8.310 ( 2.739 7.247 7.241) 10.604 8.405 ( 1.242 -0.658 -0.026) 1.406 8.614 ( 2.560 3.806 8.906) 10.017 8.775 ( -2.496 -9.545 1.664) 10.006 9.214 ( 1.002 6.974 -0.385) 7.056 9.265 ( 2.152 3.962 -4.152) 6.129 9.608 ( 1.644 -3.143 4.576) 5.790 9.644 ( -1.476 -4.958 2.807) 5.886 9.871 ( -0.101 5.048 -3.986) 6.433 9.927 ( 0.858 -0.047 -6.732) 6.787 10.514 ( 1.909 7.336 8.384) 11.303 10.613 ( 6.259 -3.168 8.532) 11.045 10.890 ( -10.591 7.494 -12.931) 18.318 11.010 ( -12.497 -4.615 -12.424) 18.216 11.738 ( -2.223 3.927 6.206) 7.673 11.822 ( -6.317 -4.375 3.180) 8.316 12.119 ( 6.509 3.901 2.076) 7.867 12.182 ( 8.771 -1.321 3.269) 9.453 12.311 ( -7.193 1.820 -1.051) 7.493 12.373 ( -7.212 -2.949 0.625) 7.816 13.691 ( 9.495 2.698 4.539) 10.865 13.771 ( 13.334 -2.970 2.101) 13.821 13.937 ( -4.600 5.116 -2.765) 7.415 14.032 ( -12.413 -4.828 -6.000) 14.608 14.374 ( -8.201 -1.520 4.068) 9.280 14.456 ( -9.925 -8.415 -0.408) 13.018 16.122 ( 11.332 8.013 6.597) 15.367 16.270 ( 6.230 -5.363 5.307) 9.785 16.430 ( 3.688 5.917 -4.255) 8.168 16.521 ( 0.147 -2.415 -7.074) 7.476 17.567 ( -2.631 3.183 14.875) 15.437 17.683 ( -2.217 -7.995 7.272) 11.032 18.133 ( 2.188 2.151 -0.008) 3.068 18.205 ( -0.210 -4.966 -3.696) 6.194 18.676 ( -5.606 5.017 5.467) 9.299 18.748 ( -2.942 -1.355 -1.890) 3.750 19.767 ( 0.254 2.500 -2.374) 3.457 19.919 ( 2.786 -11.418 -17.153) 20.794 23.715 ( -3.597 9.462 21.638) 23.889 23.908 ( -2.033 -8.618 16.177) 18.442 24.230 ( 3.044 5.796 -22.510) 23.443 24.381 ( 4.127 -8.238 -23.841) 25.560 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.245 -0.167 5.777) 5.785 1.909 ( 0.379 -5.261 -0.367) 5.287 2.079 ( 0.760 -0.370 -0.937) 1.262 2.116 ( 2.173 -3.628 -2.550) 4.938 2.647 ( -3.642 5.386 0.110) 6.503 2.722 ( 1.023 3.888 -2.732) 4.861 2.758 ( -8.601 -0.125 0.625) 8.624 2.885 ( 2.550 -6.529 -1.196) 7.110 3.302 ( -3.758 3.600 4.619) 6.958 3.356 ( -2.249 0.442 1.860) 2.952 3.717 ( 0.043 7.297 8.907) 11.515 3.771 ( -0.791 2.050 3.894) 4.471 4.066 ( -0.102 0.342 6.214) 6.224 4.098 ( -4.490 1.597 5.316) 7.139 4.181 ( 4.567 -5.989 -1.641) 7.708 4.245 ( -1.263 -8.242 -3.653) 9.103 4.925 ( -4.945 7.715 12.972) 15.882 5.010 ( -6.022 -0.886 10.443) 12.088 5.153 ( -1.205 5.736 -8.364) 10.214 5.252 ( 1.298 -4.112 -3.913) 5.823 5.443 ( -2.385 3.915 3.480) 5.755 5.513 ( -1.276 -2.268 4.420) 5.129 5.681 ( 2.687 5.922 -12.243) 13.864 5.753 ( 4.625 -0.797 -10.308) 11.326 6.808 ( -7.475 0.231 3.990) 8.476 6.825 ( -7.425 -1.320 2.933) 8.092 7.378 ( 4.614 -0.297 -0.310) 4.634 7.400 ( 5.053 -2.273 -0.337) 5.551 7.593 ( -2.048 2.206 4.243) 5.202 7.630 ( -2.428 -1.150 2.155) 3.444 8.409 ( 4.455 6.066 0.508) 7.543 8.416 ( 2.312 4.660 -4.971) 7.195 8.709 ( -0.617 -2.069 1.907) 2.881 8.739 ( 2.397 -4.549 4.398) 6.767 9.220 ( -0.209 10.505 -1.602) 10.629 9.294 ( 2.693 3.160 -6.475) 7.692 9.572 ( -6.755 -2.965 6.207) 9.641 9.594 ( -5.531 -5.618 7.094) 10.606 9.881 ( 2.302 2.686 -2.996) 4.636 9.948 ( 3.975 -2.461 -8.139) 9.386 10.635 ( 5.351 9.374 10.564) 15.103 10.670 ( -8.295 6.576 -7.225) 12.816 10.774 ( 0.929 -3.772 -0.497) 3.917 10.821 ( 4.608 -5.052 0.658) 6.869 11.767 ( 2.281 2.037 3.666) 4.774 11.816 ( 6.446 -2.590 3.095) 7.605 12.146 ( -5.015 5.457 0.488) 7.428 12.236 ( -4.907 -1.280 0.920) 5.154 12.305 ( 6.769 0.701 -3.933) 7.860 12.363 ( 7.838 -2.810 1.251) 8.420 13.732 ( -8.954 1.297 3.397) 9.665 13.779 ( -12.141 -0.512 1.173) 12.208 13.834 ( 0.217 2.802 3.222) 4.276 13.985 ( 3.716 -8.197 0.501) 9.014 14.387 ( 11.083 2.425 1.325) 11.422 14.506 ( 13.835 -7.982 -4.227) 16.522 16.225 ( -9.749 8.400 -1.999) 13.023 16.297 ( 1.530 2.177 2.613) 3.729 16.420 ( -2.280 -0.977 1.834) 3.085 16.442 ( -6.753 -3.077 -5.889) 9.474 17.573 ( -2.329 0.552 16.256) 16.431 17.647 ( -3.271 -6.445 8.274) 10.987 18.205 ( 6.291 0.261 -4.828) 7.935 18.227 ( 4.025 -2.001 -7.838) 9.036 18.638 ( -0.610 5.821 8.090) 9.985 18.741 ( 2.063 -3.243 0.751) 3.917 19.742 ( -2.175 2.955 -0.532) 3.708 19.897 ( 0.434 -11.281 -14.783) 18.601 23.727 ( -2.557 9.520 21.409) 23.569 23.923 ( -1.963 -8.891 15.957) 18.372 24.216 ( 3.225 6.393 -22.540) 23.650 24.375 ( 3.393 -8.465 -23.976) 25.652 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.145 3.700 1.896) 4.160 1.963 ( 2.663 -2.998 3.484) 5.312 2.073 ( -1.371 1.907 -1.082) 2.586 2.179 ( 3.393 -5.934 -0.104) 6.836 2.546 ( -5.449 5.089 -1.338) 7.575 2.620 ( -4.846 -0.686 -0.180) 4.898 2.713 ( -0.958 1.582 -0.506) 1.918 2.849 ( -4.737 -9.940 -0.230) 11.014 3.189 ( -6.765 6.177 -0.984) 9.213 3.294 ( -4.145 -0.505 0.643) 4.225 3.719 ( -2.818 -0.159 5.273) 5.981 3.748 ( -4.696 -0.703 5.854) 7.538 4.007 ( -1.786 7.049 -6.514) 9.762 4.079 ( -3.438 2.785 12.493) 13.253 4.170 ( 1.020 -2.792 -12.166) 12.523 4.284 ( -1.731 -9.839 11.134) 14.959 4.857 ( -5.912 6.748 9.182) 12.837 4.927 ( -5.162 -1.166 6.104) 8.079 5.054 ( -5.839 9.079 1.073) 10.848 5.228 ( -2.694 -7.158 2.286) 7.982 5.447 ( 2.200 6.800 -2.236) 7.489 5.551 ( 3.627 -2.579 -1.340) 4.648 5.677 ( 0.495 6.611 -9.394) 11.498 5.781 ( 1.673 -3.018 -9.039) 9.676 6.668 ( -7.558 0.609 5.160) 9.172 6.691 ( -6.925 -1.463 5.034) 8.685 7.350 ( -6.814 1.125 2.690) 7.411 7.383 ( -7.098 -1.419 3.395) 7.995 7.701 ( 10.143 -0.533 1.232) 10.231 7.712 ( 9.366 -1.446 2.423) 9.782 8.409 ( 0.479 5.742 -7.290) 9.292 8.498 ( 3.382 -0.647 -5.693) 6.654 8.673 ( 0.237 7.021 -0.844) 7.075 8.829 ( 3.366 -5.620 4.436) 7.912 9.190 ( -2.460 11.565 -1.694) 11.944 9.314 ( 1.559 0.144 -7.523) 7.685 9.474 ( -4.786 -4.299 5.016) 8.158 9.504 ( -4.970 -5.353 6.277) 9.631 9.905 ( 0.570 3.080 -0.169) 3.137 9.989 ( 1.997 -3.895 -3.805) 5.799 10.532 ( -4.700 6.217 -0.219) 7.797 10.616 ( -4.032 -1.841 -2.869) 5.280 10.934 ( 14.596 8.339 8.881) 19.012 11.064 ( 13.437 -4.509 9.781) 17.220 11.848 ( 3.011 5.859 2.876) 7.188 11.969 ( 3.549 -4.551 3.274) 6.635 12.057 ( -0.985 7.593 -6.251) 9.884 12.212 ( 5.591 -7.914 -6.602) 11.725 12.422 ( 4.683 3.520 1.305) 6.002 12.480 ( 4.134 -1.777 1.466) 4.732 13.439 ( -20.102 1.433 -2.189) 20.272 13.463 ( -17.559 0.344 0.550) 17.571 13.997 ( 14.663 7.216 8.220) 18.293 14.236 ( 19.466 -15.764 7.543) 26.160 14.668 ( 16.284 4.915 -2.605) 17.208 14.793 ( 15.984 -6.731 -3.507) 17.695 15.933 ( -17.365 12.003 -4.369) 21.557 16.155 ( -15.138 -9.266 -5.865) 18.693 16.264 ( -9.929 5.110 -1.120) 11.223 16.364 ( -6.436 -4.436 4.770) 9.156 17.582 ( -1.734 1.130 15.010) 15.152 17.641 ( -0.643 -3.863 9.392) 10.176 18.242 ( -0.408 2.194 -9.287) 9.552 18.288 ( 2.703 -2.575 -7.788) 8.636 18.738 ( 8.790 4.711 7.777) 12.647 18.852 ( 9.514 -5.405 4.733) 11.922 19.686 ( -3.608 3.834 -0.696) 5.311 19.837 ( -2.286 -10.195 -11.905) 15.840 23.752 ( -2.278 8.356 21.240) 22.938 23.931 ( -2.911 -8.718 17.045) 19.365 24.211 ( 4.270 6.102 -23.834) 24.971 24.358 ( 3.145 -7.856 -24.225) 25.661 ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -2.456 8.451 2.869) 9.257 1.954 ( -3.412 8.576 -3.418) 9.843 2.054 ( -0.464 -5.461 4.168) 6.886 2.194 ( -1.318 -8.598 -2.243) 8.983 2.479 ( -1.182 4.399 0.179) 4.559 2.547 ( -3.137 -1.696 -1.599) 3.909 2.752 ( 5.349 -0.482 3.871) 6.620 2.817 ( 2.323 -7.035 2.910) 7.960 3.077 ( -4.373 4.054 -3.502) 6.915 3.192 ( -6.537 -4.884 -2.428) 8.514 3.643 ( -5.410 -1.657 1.509) 5.856 3.657 ( -5.355 -1.363 4.405) 7.067 3.985 ( -4.245 7.577 7.521) 11.489 4.039 ( 0.438 1.503 -0.674) 1.705 4.151 ( 0.247 -0.958 -7.142) 7.211 4.206 ( -9.023 -7.532 9.066) 14.844 4.792 ( -2.391 5.449 5.536) 8.127 4.888 ( -0.538 -3.854 3.877) 5.493 4.981 ( -3.475 11.852 7.115) 14.254 5.170 ( -4.221 -6.664 1.545) 8.038 5.486 ( 2.496 8.906 -4.739) 10.392 5.604 ( 2.764 2.912 -7.685) 8.670 5.654 ( 0.038 1.634 -2.935) 3.359 5.776 ( 1.084 -5.001 -7.620) 9.178 6.581 ( -3.139 1.600 5.001) 6.117 6.609 ( -3.586 -0.757 5.016) 6.213 7.233 ( -5.284 -0.349 2.938) 6.056 7.250 ( -6.996 -1.436 4.374) 8.375 7.872 ( 6.261 0.374 2.174) 6.639 7.889 ( 7.428 -1.480 0.523) 7.592 8.391 ( -0.068 4.903 -4.865) 6.907 8.496 ( -0.207 -4.690 -9.193) 10.322 8.733 ( 4.738 10.051 3.220) 11.568 8.887 ( 0.810 -3.586 4.443) 5.767 9.127 ( -3.318 8.994 0.261) 9.590 9.290 ( -1.415 -5.931 -9.544) 11.326 9.440 ( -0.778 -2.086 6.525) 6.895 9.470 ( 0.221 -3.392 1.917) 3.902 9.917 ( 0.766 4.270 0.846) 4.420 9.995 ( -0.476 -2.783 -1.896) 3.401 10.481 ( -1.815 5.542 5.025) 7.698 10.555 ( -1.764 -1.513 -0.554) 2.389 11.268 ( 16.184 6.929 9.973) 20.234 11.359 ( 14.135 -2.339 9.438) 17.156 11.839 ( -3.861 4.198 1.674) 5.944 11.897 ( -5.883 -0.745 -1.225) 6.055 12.146 ( 6.797 7.380 -10.595) 14.591 12.278 ( -0.266 -4.014 -13.342) 13.936 12.499 ( 2.818 2.219 6.307) 7.255 12.577 ( 6.873 -5.472 7.288) 11.415 13.062 ( -17.008 4.382 -2.559) 17.749 13.155 ( -13.992 -3.859 -1.210) 14.565 14.405 ( 23.522 9.655 8.146) 26.699 14.657 ( 19.070 -13.914 7.267) 24.700 14.943 ( 13.417 4.527 -4.427) 14.836 15.036 ( 8.676 -4.090 -0.699) 9.617 15.614 ( -12.668 9.741 -2.325) 16.148 15.817 ( -17.050 -10.071 -3.800) 20.164 16.049 ( -10.479 5.345 -2.885) 12.112 16.186 ( -12.981 -7.834 1.938) 15.285 17.606 ( -1.036 2.467 14.405) 14.651 17.662 ( -0.658 -2.588 9.380) 9.753 18.180 ( -2.004 3.072 -7.759) 8.582 18.245 ( -3.490 -3.328 -7.978) 9.323 18.978 ( 12.157 4.647 8.067) 15.312 19.103 ( 12.928 -6.986 7.342) 16.427 19.597 ( -4.755 4.468 -5.040) 8.245 19.738 ( -3.716 -8.788 -11.845) 15.210 23.772 ( -2.976 6.554 21.299) 22.482 23.922 ( -4.022 -7.723 18.131) 20.114 24.224 ( 5.317 4.639 -24.948) 25.926 24.341 ( 3.513 -6.608 -24.428) 25.548 =================== 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 10.0 188.261 163.366 354.179 0.000 98.032 0.000 3/31752 20.0 39.397 59.285 69.020 0.000 8.111 0.000 3/31752 30.0 18.791 29.268 35.117 0.000 1.906 0.000 3/31752 40.0 11.935 18.569 23.138 0.000 0.629 0.000 3/31752 50.0 8.713 13.539 17.301 0.000 0.200 0.000 3/31752 60.0 6.874 10.661 13.869 0.000 0.021 0.000 3/31752 70.0 5.689 8.793 11.588 0.000 -0.060 0.000 3/31752 80.0 4.862 7.477 9.950 0.000 -0.098 0.000 3/31752 90.0 4.253 6.501 8.712 0.000 -0.113 0.000 3/31752 100.0 3.788 5.749 7.745 0.000 -0.118 0.000 3/31752 110.0 3.422 5.152 6.969 0.000 -0.117 0.000 3/31752 120.0 3.126 4.669 6.334 0.000 -0.113 0.000 3/31752 130.0 2.883 4.269 5.806 0.000 -0.108 0.000 3/31752 140.0 2.679 3.934 5.361 0.000 -0.103 0.000 3/31752 150.0 2.506 3.649 4.981 0.000 -0.097 0.000 3/31752 160.0 2.356 3.404 4.653 0.000 -0.092 0.000 3/31752 170.0 2.225 3.191 4.368 0.000 -0.088 0.000 3/31752 180.0 2.110 3.004 4.118 0.000 -0.084 0.000 3/31752 190.0 2.007 2.838 3.896 0.000 -0.080 0.000 3/31752 200.0 1.914 2.690 3.699 0.000 -0.077 0.000 3/31752 210.0 1.831 2.558 3.522 0.000 -0.074 0.000 3/31752 220.0 1.755 2.439 3.363 0.000 -0.071 0.000 3/31752 230.0 1.685 2.330 3.219 0.000 -0.068 0.000 3/31752 240.0 1.621 2.232 3.087 0.000 -0.066 0.000 3/31752 250.0 1.562 2.141 2.966 0.000 -0.064 0.000 3/31752 260.0 1.507 2.058 2.855 0.000 -0.063 0.000 3/31752 270.0 1.456 1.981 2.753 0.000 -0.061 0.000 3/31752 280.0 1.408 1.910 2.658 0.000 -0.059 0.000 3/31752 290.0 1.364 1.844 2.570 0.000 -0.058 0.000 3/31752 300.0 1.322 1.783 2.488 0.000 -0.057 0.000 3/31752 310.0 1.283 1.725 2.412 0.000 -0.055 0.000 3/31752 320.0 1.246 1.672 2.340 0.000 -0.054 0.000 3/31752 330.0 1.211 1.621 2.272 0.000 -0.053 0.000 3/31752 340.0 1.178 1.574 2.209 0.000 -0.052 0.000 3/31752 350.0 1.146 1.529 2.149 0.000 -0.051 0.000 3/31752 360.0 1.117 1.487 2.092 0.000 -0.050 0.000 3/31752 370.0 1.089 1.447 2.039 0.000 -0.049 0.000 3/31752 380.0 1.062 1.409 1.988 0.000 -0.048 0.000 3/31752 390.0 1.036 1.373 1.939 0.000 -0.048 0.000 3/31752 400.0 1.012 1.339 1.893 0.000 -0.047 0.000 3/31752 410.0 0.989 1.307 1.849 0.000 -0.046 0.000 3/31752 420.0 0.966 1.276 1.808 0.000 -0.045 0.000 3/31752 430.0 0.945 1.247 1.768 0.000 -0.044 0.000 3/31752 440.0 0.925 1.219 1.729 0.000 -0.044 0.000 3/31752 450.0 0.905 1.192 1.693 0.000 -0.043 0.000 3/31752 460.0 0.887 1.166 1.658 0.000 -0.042 0.000 3/31752 470.0 0.869 1.142 1.624 0.000 -0.042 0.000 3/31752 480.0 0.851 1.118 1.592 0.000 -0.041 0.000 3/31752 490.0 0.835 1.096 1.561 0.000 -0.041 0.000 3/31752 500.0 0.819 1.074 1.531 0.000 -0.040 0.000 3/31752 510.0 0.804 1.053 1.503 0.000 -0.039 0.000 3/31752 520.0 0.789 1.033 1.475 0.000 -0.039 0.000 3/31752 530.0 0.775 1.014 1.448 0.000 -0.038 0.000 3/31752 540.0 0.761 0.995 1.423 0.000 -0.038 0.000 3/31752 550.0 0.747 0.977 1.398 0.000 -0.037 0.000 3/31752 560.0 0.735 0.960 1.374 0.000 -0.037 0.000 3/31752 570.0 0.722 0.943 1.351 0.000 -0.036 0.000 3/31752 580.0 0.710 0.927 1.328 0.000 -0.036 0.000 3/31752 590.0 0.699 0.912 1.307 0.000 -0.035 0.000 3/31752 600.0 0.687 0.897 1.286 0.000 -0.035 0.000 3/31752 610.0 0.676 0.882 1.266 0.000 -0.034 0.000 3/31752 620.0 0.666 0.868 1.246 0.000 -0.034 0.000 3/31752 630.0 0.656 0.854 1.227 0.000 -0.033 0.000 3/31752 640.0 0.646 0.841 1.208 0.000 -0.033 0.000 3/31752 650.0 0.636 0.828 1.190 0.000 -0.033 0.000 3/31752 660.0 0.627 0.816 1.173 0.000 -0.032 0.000 3/31752 670.0 0.618 0.804 1.156 0.000 -0.032 0.000 3/31752 680.0 0.609 0.792 1.140 0.000 -0.031 0.000 3/31752 690.0 0.600 0.781 1.124 0.000 -0.031 0.000 3/31752 700.0 0.592 0.770 1.108 0.000 -0.031 0.000 3/31752 710.0 0.584 0.759 1.093 0.000 -0.030 0.000 3/31752 720.0 0.576 0.748 1.078 0.000 -0.030 0.000 3/31752 730.0 0.568 0.738 1.064 0.000 -0.030 0.000 3/31752 740.0 0.561 0.728 1.050 0.000 -0.029 0.000 3/31752 750.0 0.553 0.719 1.036 0.000 -0.029 0.000 3/31752 760.0 0.546 0.709 1.023 0.000 -0.029 0.000 3/31752 770.0 0.539 0.700 1.010 0.000 -0.028 0.000 3/31752 780.0 0.532 0.691 0.997 0.000 -0.028 0.000 3/31752 790.0 0.526 0.683 0.985 0.000 -0.028 0.000 3/31752 800.0 0.519 0.674 0.973 0.000 -0.027 0.000 3/31752 810.0 0.513 0.666 0.961 0.000 -0.027 0.000 3/31752 820.0 0.507 0.658 0.950 0.000 -0.027 0.000 3/31752 830.0 0.501 0.650 0.939 0.000 -0.027 0.000 3/31752 840.0 0.495 0.642 0.928 0.000 -0.026 0.000 3/31752 850.0 0.489 0.635 0.917 0.000 -0.026 0.000 3/31752 860.0 0.484 0.627 0.907 0.000 -0.026 0.000 3/31752 870.0 0.478 0.620 0.897 0.000 -0.025 0.000 3/31752 880.0 0.473 0.613 0.887 0.000 -0.025 0.000 3/31752 890.0 0.468 0.606 0.877 0.000 -0.025 0.000 3/31752 900.0 0.463 0.600 0.867 0.000 -0.025 0.000 3/31752 910.0 0.458 0.593 0.858 0.000 -0.024 0.000 3/31752 920.0 0.453 0.587 0.849 0.000 -0.024 0.000 3/31752 930.0 0.448 0.580 0.840 0.000 -0.024 0.000 3/31752 940.0 0.443 0.574 0.831 0.000 -0.024 0.000 3/31752 950.0 0.439 0.568 0.823 0.000 -0.024 0.000 3/31752 960.0 0.434 0.562 0.814 0.000 -0.023 0.000 3/31752 970.0 0.430 0.557 0.806 0.000 -0.023 0.000 3/31752 980.0 0.425 0.551 0.798 0.000 -0.023 0.000 3/31752 990.0 0.421 0.545 0.790 0.000 -0.023 0.000 3/31752 1000.0 0.417 0.540 0.782 0.000 -0.023 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 04:37:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|