----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:31:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.043663300296082 0.000000000000000 0.000000000000000 b 0.000000000000000 3.876957210000000 0.000000000000000 c -3.628730846729046 0.000000000000000 16.828454323709945 Atomic positions (fractional): *1 Tl 0.53611308955772 0.75000000000000 0.22742362579843 204.383 2 Tl 0.46388691044228 0.25000000000000 0.77257637420157 204.383 *3 In 0.35384022726754 0.75000000000000 0.54521933034434 114.818 *4 In 0.97477731541099 0.75000000000000 0.89673612464049 114.818 5 In 0.64615977273246 0.25000000000000 0.45478066965566 114.818 *6 In 0.05724606218246 0.25000000000000 0.61630560478448 114.818 *7 In 0.32678489926424 0.25000000000000 0.96697797604873 114.818 *8 In 0.18290309047133 0.75000000000000 0.30817095268488 114.818 9 In 0.81709690952867 0.25000000000000 0.69182904731512 114.818 10 In 0.67321510073576 0.75000000000000 0.03302202395127 114.818 11 In 0.02522268458901 0.25000000000000 0.10326387535951 114.818 12 In 0.94275393781754 0.75000000000000 0.38369439521552 114.818 *13 S 0.53603899221054 0.25000000000000 0.09009537388367 32.065 *14 S 0.16974322250713 0.75000000000000 0.03191230563433 32.065 *15 S 0.83913359524583 0.75000000000000 0.50982313219862 32.065 *16 S 0.44565404862518 0.75000000000000 0.40955772446504 32.065 17 S 0.83025677749287 0.25000000000000 0.96808769436567 32.065 *18 S 0.24818375385101 0.25000000000000 0.22612976117023 32.065 *19 S 0.76266071606479 0.25000000000000 0.32949123237814 32.065 20 S 0.75181624614899 0.75000000000000 0.77387023882977 32.065 21 S 0.46396100778946 0.75000000000000 0.90990462611633 32.065 *22 S 0.11265014081719 0.25000000000000 0.84482213707208 32.065 23 S 0.88734985918281 0.75000000000000 0.15517786292792 32.065 24 S 0.16086640475417 0.25000000000000 0.49017686780138 32.065 25 S 0.23733928393521 0.75000000000000 0.67050876762186 32.065 26 S 0.55434595137482 0.25000000000000 0.59044227553496 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.043663300296082 0.000000000000000 0.000000000000000 b 0.000000000000000 3.876957210000000 0.000000000000000 c -3.628730846729046 0.000000000000000 16.828454323709945 Atomic positions (fractional): *1 Tl 0.53611308955772 0.75000000000000 0.22742362579843 204.383 > 1 2 Tl 0.46388691044228 0.25000000000000 0.77257637420157 204.383 > 2 *3 In 0.35384022726754 0.75000000000000 0.54521933034434 114.818 > 3 *4 In 0.97477731541099 0.75000000000000 0.89673612464049 114.818 > 4 5 In 0.64615977273246 0.25000000000000 0.45478066965566 114.818 > 5 *6 In 0.05724606218246 0.25000000000000 0.61630560478448 114.818 > 6 *7 In 0.32678489926424 0.25000000000000 0.96697797604873 114.818 > 7 *8 In 0.18290309047133 0.75000000000000 0.30817095268488 114.818 > 8 9 In 0.81709690952867 0.25000000000000 0.69182904731512 114.818 > 9 10 In 0.67321510073576 0.75000000000000 0.03302202395127 114.818 > 10 11 In 0.02522268458901 0.25000000000000 0.10326387535951 114.818 > 11 12 In 0.94275393781754 0.75000000000000 0.38369439521552 114.818 > 12 *13 S 0.53603899221054 0.25000000000000 0.09009537388367 32.065 > 13 *14 S 0.16974322250713 0.75000000000000 0.03191230563433 32.065 > 14 *15 S 0.83913359524583 0.75000000000000 0.50982313219862 32.065 > 15 *16 S 0.44565404862518 0.75000000000000 0.40955772446504 32.065 > 16 17 S 0.83025677749287 0.25000000000000 0.96808769436567 32.065 > 17 *18 S 0.24818375385101 0.25000000000000 0.22612976117023 32.065 > 18 *19 S 0.76266071606479 0.25000000000000 0.32949123237814 32.065 > 19 20 S 0.75181624614899 0.75000000000000 0.77387023882977 32.065 > 20 21 S 0.46396100778946 0.75000000000000 0.90990462611633 32.065 > 21 *22 S 0.11265014081719 0.25000000000000 0.84482213707208 32.065 > 22 23 S 0.88734985918281 0.75000000000000 0.15517786292792 32.065 > 23 24 S 0.16086640475417 0.25000000000000 0.49017686780138 32.065 > 24 25 S 0.23733928393521 0.75000000000000 0.67050876762186 32.065 > 25 26 S 0.55434595137482 0.25000000000000 0.59044227553496 32.065 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.043663300296082 0.000000000000000 0.000000000000000 b 0.000000000000000 11.630871630000000 0.000000000000000 c -3.628730846729046 0.000000000000000 16.828454323709945 Atomic positions (fractional): *1 Tl 0.53611308955772 0.25000000000000 0.22742362579843 204.383 > 1 2 Tl 0.53611308955772 0.58333333333333 0.22742362579843 204.383 > 1 3 Tl 0.53611308955772 0.91666666666667 0.22742362579843 204.383 > 1 4 Tl 0.46388691044228 0.08333333333333 0.77257637420157 204.383 > 2 5 Tl 0.46388691044228 0.41666666666667 0.77257637420157 204.383 > 2 6 Tl 0.46388691044228 0.75000000000000 0.77257637420157 204.383 > 2 *7 In 0.35384022726754 0.25000000000000 0.54521933034434 114.818 > 3 8 In 0.35384022726754 0.58333333333333 0.54521933034434 114.818 > 3 9 In 0.35384022726754 0.91666666666667 0.54521933034434 114.818 > 3 *10 In 0.97477731541099 0.25000000000000 0.89673612464049 114.818 > 4 11 In 0.97477731541099 0.58333333333333 0.89673612464049 114.818 > 4 12 In 0.97477731541099 0.91666666666667 0.89673612464049 114.818 > 4 13 In 0.64615977273246 0.08333333333333 0.45478066965566 114.818 > 5 14 In 0.64615977273246 0.41666666666667 0.45478066965566 114.818 > 5 15 In 0.64615977273246 0.75000000000000 0.45478066965566 114.818 > 5 *16 In 0.05724606218246 0.08333333333333 0.61630560478448 114.818 > 6 17 In 0.05724606218246 0.41666666666667 0.61630560478448 114.818 > 6 18 In 0.05724606218246 0.75000000000000 0.61630560478448 114.818 > 6 *19 In 0.32678489926424 0.08333333333333 0.96697797604873 114.818 > 7 20 In 0.32678489926424 0.41666666666667 0.96697797604873 114.818 > 7 21 In 0.32678489926424 0.75000000000000 0.96697797604873 114.818 > 7 *22 In 0.18290309047133 0.25000000000000 0.30817095268488 114.818 > 8 23 In 0.18290309047133 0.58333333333333 0.30817095268488 114.818 > 8 24 In 0.18290309047133 0.91666666666667 0.30817095268488 114.818 > 8 25 In 0.81709690952867 0.08333333333333 0.69182904731512 114.818 > 9 26 In 0.81709690952867 0.41666666666667 0.69182904731512 114.818 > 9 27 In 0.81709690952867 0.75000000000000 0.69182904731512 114.818 > 9 28 In 0.67321510073576 0.25000000000000 0.03302202395127 114.818 > 10 29 In 0.67321510073576 0.58333333333333 0.03302202395127 114.818 > 10 30 In 0.67321510073576 0.91666666666667 0.03302202395127 114.818 > 10 31 In 0.02522268458901 0.08333333333333 0.10326387535951 114.818 > 11 32 In 0.02522268458901 0.41666666666667 0.10326387535951 114.818 > 11 33 In 0.02522268458901 0.75000000000000 0.10326387535951 114.818 > 11 34 In 0.94275393781754 0.25000000000000 0.38369439521552 114.818 > 12 35 In 0.94275393781754 0.58333333333333 0.38369439521552 114.818 > 12 36 In 0.94275393781754 0.91666666666667 0.38369439521552 114.818 > 12 *37 S 0.53603899221054 0.08333333333333 0.09009537388367 32.065 > 13 38 S 0.53603899221054 0.41666666666667 0.09009537388367 32.065 > 13 39 S 0.53603899221054 0.75000000000000 0.09009537388367 32.065 > 13 *40 S 0.16974322250713 0.25000000000000 0.03191230563433 32.065 > 14 41 S 0.16974322250713 0.58333333333333 0.03191230563433 32.065 > 14 42 S 0.16974322250713 0.91666666666667 0.03191230563433 32.065 > 14 *43 S 0.83913359524583 0.25000000000000 0.50982313219862 32.065 > 15 44 S 0.83913359524583 0.58333333333333 0.50982313219862 32.065 > 15 45 S 0.83913359524583 0.91666666666667 0.50982313219862 32.065 > 15 *46 S 0.44565404862518 0.25000000000000 0.40955772446504 32.065 > 16 47 S 0.44565404862518 0.58333333333333 0.40955772446504 32.065 > 16 48 S 0.44565404862518 0.91666666666667 0.40955772446504 32.065 > 16 49 S 0.83025677749287 0.08333333333333 0.96808769436567 32.065 > 17 50 S 0.83025677749287 0.41666666666667 0.96808769436567 32.065 > 17 51 S 0.83025677749287 0.75000000000000 0.96808769436567 32.065 > 17 *52 S 0.24818375385101 0.08333333333333 0.22612976117023 32.065 > 18 53 S 0.24818375385101 0.41666666666667 0.22612976117023 32.065 > 18 54 S 0.24818375385101 0.75000000000000 0.22612976117023 32.065 > 18 *55 S 0.76266071606479 0.08333333333333 0.32949123237814 32.065 > 19 56 S 0.76266071606479 0.41666666666667 0.32949123237814 32.065 > 19 57 S 0.76266071606479 0.75000000000000 0.32949123237814 32.065 > 19 58 S 0.75181624614899 0.25000000000000 0.77387023882977 32.065 > 20 59 S 0.75181624614899 0.58333333333333 0.77387023882977 32.065 > 20 60 S 0.75181624614899 0.91666666666667 0.77387023882977 32.065 > 20 61 S 0.46396100778946 0.25000000000000 0.90990462611633 32.065 > 21 62 S 0.46396100778946 0.58333333333333 0.90990462611633 32.065 > 21 63 S 0.46396100778946 0.91666666666667 0.90990462611633 32.065 > 21 *64 S 0.11265014081719 0.08333333333333 0.84482213707208 32.065 > 22 65 S 0.11265014081719 0.41666666666667 0.84482213707208 32.065 > 22 66 S 0.11265014081719 0.75000000000000 0.84482213707208 32.065 > 22 67 S 0.88734985918281 0.25000000000000 0.15517786292792 32.065 > 23 68 S 0.88734985918281 0.58333333333333 0.15517786292792 32.065 > 23 69 S 0.88734985918281 0.91666666666667 0.15517786292792 32.065 > 23 70 S 0.16086640475417 0.08333333333333 0.49017686780138 32.065 > 24 71 S 0.16086640475417 0.41666666666667 0.49017686780138 32.065 > 24 72 S 0.16086640475417 0.75000000000000 0.49017686780138 32.065 > 24 73 S 0.23733928393521 0.25000000000000 0.67050876762186 32.065 > 25 74 S 0.23733928393521 0.58333333333333 0.67050876762186 32.065 > 25 75 S 0.23733928393521 0.91666666666667 0.67050876762186 32.065 > 25 76 S 0.55434595137482 0.08333333333333 0.59044227553496 32.065 > 26 77 S 0.55434595137482 0.41666666666667 0.59044227553496 32.065 > 26 78 S 0.55434595137482 0.75000000000000 0.59044227553496 32.065 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.9227391 0.0000000 0.2498905 0.0000000 9.6933395 0.0000000 0.2499029 0.0000000 9.3769325 -------------------------- Born effective charges -------------------------- 1 Tl 1.9911220 0.0000000 0.0795582 0.0000000 2.4298471 0.0000000 -0.0380914 0.0000000 2.4855435 2 Tl 1.9911220 0.0000000 0.0795582 0.0000000 2.4298471 0.0000000 -0.0380914 0.0000000 2.4855435 3 In 4.0899618 0.0000000 -0.3627657 0.0000000 4.1897194 0.0000000 -0.1575322 0.0000000 2.8418343 4 In 2.8363836 0.0000000 -0.0432093 0.0000000 4.1418346 0.0000000 0.4558326 0.0000000 3.7387665 5 In 4.0899618 0.0000000 -0.3627657 0.0000000 4.1897194 0.0000000 -0.1575322 0.0000000 2.8418343 6 In 3.3207356 0.0000000 -0.0340269 0.0000000 3.4995035 0.0000000 0.1133043 0.0000000 2.5087010 7 In 4.1682602 0.0000000 0.2394794 0.0000000 4.2825360 0.0000000 -0.0345780 0.0000000 2.9259469 8 In 2.3712336 0.0000000 0.4059268 0.0000000 2.6597555 0.0000000 0.2391503 0.0000000 2.8835592 9 In 2.3712336 0.0000000 0.4059268 0.0000000 2.6597555 0.0000000 0.2391503 0.0000000 2.8835592 10 In 4.1682602 0.0000000 0.2394794 0.0000000 4.2825360 0.0000000 -0.0345780 0.0000000 2.9259469 11 In 2.8363836 0.0000000 -0.0432093 0.0000000 4.1418346 0.0000000 0.4558326 0.0000000 3.7387665 12 In 3.3207356 0.0000000 -0.0340269 0.0000000 3.4995035 0.0000000 0.1133043 0.0000000 2.5087010 13 S -2.2873848 0.0000000 -0.0573839 0.0000000 -3.1841481 0.0000000 0.1751013 0.0000000 -2.6892821 14 S -2.6176592 0.0000000 0.5168368 0.0000000 -3.6453696 0.0000000 0.7776648 0.0000000 -2.2410789 15 S -2.6621074 0.0000000 -0.1904481 0.0000000 -3.1991496 0.0000000 -0.2739234 0.0000000 -2.5551120 16 S -3.4398725 0.0000000 -0.5751804 0.0000000 -2.2066651 0.0000000 -0.5132210 0.0000000 -2.6659584 17 S -2.6176592 0.0000000 0.5168368 0.0000000 -3.6453696 0.0000000 0.7776648 0.0000000 -2.2410789 18 S -2.2544703 0.0000000 0.3065838 0.0000000 -3.2289874 0.0000000 0.0467558 0.0000000 -2.8414387 19 S -3.1993226 0.0000000 -0.0592775 0.0000000 -3.3413421 0.0000000 -0.3063134 0.0000000 -2.0601886 20 S -2.2544703 0.0000000 0.3065838 0.0000000 -3.2289874 0.0000000 0.0467558 0.0000000 -2.8414387 21 S -2.2873848 0.0000000 -0.0573839 0.0000000 -3.1841481 0.0000000 0.1751013 0.0000000 -2.6892821 22 S -2.3168800 0.0000000 -0.2260931 0.0000000 -2.3975344 0.0000000 -0.4841498 0.0000000 -2.3312927 23 S -2.3168800 0.0000000 -0.2260931 0.0000000 -2.3975344 0.0000000 -0.4841498 0.0000000 -2.3312927 24 S -2.6621074 0.0000000 -0.1904481 0.0000000 -3.1991496 0.0000000 -0.2739234 0.0000000 -2.5551120 25 S -3.1993226 0.0000000 -0.0592775 0.0000000 -3.3413421 0.0000000 -0.3063134 0.0000000 -2.0601886 26 S -3.4398725 0.0000000 -0.5751804 0.0000000 -2.2066651 0.0000000 -0.5132210 0.0000000 -2.6659584 ---------------------------------------------------------------------------- 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: 234/234 Permutation basis: 9321/9321 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2444 Number of blocks in projector: 2444 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: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 676 / 676 (1) 157 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 338 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 338 Use standard eigh solver. Tree of FC basis block matrices: - (2444, 2380), data: False |-- (338, 338), data: True |-- (338, 338), data: True |-- (364, 351), data: True |-- (364, 351), data: True |-- (364, 351), data: True |-- (676, 651), data: False |-- (676, 19), data: (676, 44) @ (44, 19) |-- (176, 157), data: True |-- (500, 475), data: False |-- (500, 25), data: (500, 50) @ (50, 25) |-- (250, 225), data: True |-- (250, 225), data: True ----- Solver_atoms: 1 -- 78 / 78 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 800 - Time: 0.428 Solver_block: 200 / 800 - Time: 0.368 Solver_block: 300 / 800 - Time: 0.368 Solver_block: 400 / 800 - Time: 0.368 Solver_block: 500 / 800 - Time: 0.369 Solver_block: 600 / 800 - Time: 0.368 Solver_block: 700 / 800 - Time: 0.368 Solver_block: 800 / 800 - Time: 0.368 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.077 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 234/234 Permutation basis: 9321/9321 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2444 Number of blocks in projector: 2444 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: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 676 / 676 (1) 157 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 338 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 338 Use standard eigh solver. Tree of FC basis block matrices: - (2444, 2380), data: False |-- (338, 338), data: True |-- (338, 338), data: True |-- (364, 351), data: True |-- (364, 351), data: True |-- (364, 351), data: True |-- (676, 651), data: False |-- (676, 19), data: (676, 44) @ (44, 19) |-- (176, 157), data: True |-- (500, 475), data: False |-- (500, 25), data: (500, 50) @ (50, 25) |-- (250, 225), data: True |-- (250, 225), 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 17:32:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:32:03]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.043663300296082 0.000000000000000 0.000000000000000 b 0.000000000000000 3.876957210000000 0.000000000000000 c -3.628730846729046 0.000000000000000 16.828454323709945 Atomic positions (fractional): 1 Tl 0.53611308955772 0.75000000000000 0.22742362579843 204.383 2 Tl 0.46388691044228 0.25000000000000 0.77257637420157 204.383 3 In 0.35384022726754 0.75000000000000 0.54521933034434 114.818 4 In 0.97477731541099 0.75000000000000 0.89673612464049 114.818 5 In 0.64615977273246 0.25000000000000 0.45478066965566 114.818 6 In 0.05724606218246 0.25000000000000 0.61630560478448 114.818 7 In 0.32678489926424 0.25000000000000 0.96697797604873 114.818 8 In 0.18290309047133 0.75000000000000 0.30817095268488 114.818 9 In 0.81709690952867 0.25000000000000 0.69182904731512 114.818 10 In 0.67321510073576 0.75000000000000 0.03302202395127 114.818 11 In 0.02522268458901 0.25000000000000 0.10326387535951 114.818 12 In 0.94275393781754 0.75000000000000 0.38369439521552 114.818 13 S 0.53603899221054 0.25000000000000 0.09009537388367 32.065 14 S 0.16974322250713 0.75000000000000 0.03191230563433 32.065 15 S 0.83913359524583 0.75000000000000 0.50982313219862 32.065 16 S 0.44565404862518 0.75000000000000 0.40955772446504 32.065 17 S 0.83025677749287 0.25000000000000 0.96808769436567 32.065 18 S 0.24818375385101 0.25000000000000 0.22612976117023 32.065 19 S 0.76266071606479 0.25000000000000 0.32949123237814 32.065 20 S 0.75181624614899 0.75000000000000 0.77387023882977 32.065 21 S 0.46396100778946 0.75000000000000 0.90990462611633 32.065 22 S 0.11265014081719 0.25000000000000 0.84482213707208 32.065 23 S 0.88734985918281 0.75000000000000 0.15517786292792 32.065 24 S 0.16086640475417 0.25000000000000 0.49017686780138 32.065 25 S 0.23733928393521 0.75000000000000 0.67050876762186 32.065 26 S 0.55434595137482 0.25000000000000 0.59044227553496 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.043663300296082 0.000000000000000 0.000000000000000 b 0.000000000000000 11.630871630000000 0.000000000000000 c -3.628730846729046 0.000000000000000 16.828454323709945 Atomic positions (fractional): 1 Tl 0.53611308955772 0.25000000000000 0.22742362579843 204.383 > 1 2 Tl 0.53611308955772 0.58333333333333 0.22742362579843 204.383 > 1 3 Tl 0.53611308955772 0.91666666666667 0.22742362579843 204.383 > 1 4 Tl 0.46388691044228 0.08333333333333 0.77257637420157 204.383 > 4 5 Tl 0.46388691044228 0.41666666666667 0.77257637420157 204.383 > 4 6 Tl 0.46388691044228 0.75000000000000 0.77257637420157 204.383 > 4 7 In 0.35384022726754 0.25000000000000 0.54521933034434 114.818 > 7 8 In 0.35384022726754 0.58333333333333 0.54521933034434 114.818 > 7 9 In 0.35384022726754 0.91666666666667 0.54521933034434 114.818 > 7 10 In 0.97477731541099 0.25000000000000 0.89673612464049 114.818 > 10 11 In 0.97477731541099 0.58333333333333 0.89673612464049 114.818 > 10 12 In 0.97477731541099 0.91666666666667 0.89673612464049 114.818 > 10 13 In 0.64615977273246 0.08333333333333 0.45478066965566 114.818 > 13 14 In 0.64615977273246 0.41666666666667 0.45478066965566 114.818 > 13 15 In 0.64615977273246 0.75000000000000 0.45478066965566 114.818 > 13 16 In 0.05724606218246 0.08333333333333 0.61630560478448 114.818 > 16 17 In 0.05724606218246 0.41666666666667 0.61630560478448 114.818 > 16 18 In 0.05724606218246 0.75000000000000 0.61630560478448 114.818 > 16 19 In 0.32678489926424 0.08333333333333 0.96697797604873 114.818 > 19 20 In 0.32678489926424 0.41666666666667 0.96697797604873 114.818 > 19 21 In 0.32678489926424 0.75000000000000 0.96697797604873 114.818 > 19 22 In 0.18290309047133 0.25000000000000 0.30817095268488 114.818 > 22 23 In 0.18290309047133 0.58333333333333 0.30817095268488 114.818 > 22 24 In 0.18290309047133 0.91666666666667 0.30817095268488 114.818 > 22 25 In 0.81709690952867 0.08333333333333 0.69182904731512 114.818 > 25 26 In 0.81709690952867 0.41666666666667 0.69182904731512 114.818 > 25 27 In 0.81709690952867 0.75000000000000 0.69182904731512 114.818 > 25 28 In 0.67321510073576 0.25000000000000 0.03302202395127 114.818 > 28 29 In 0.67321510073576 0.58333333333333 0.03302202395127 114.818 > 28 30 In 0.67321510073576 0.91666666666667 0.03302202395127 114.818 > 28 31 In 0.02522268458901 0.08333333333333 0.10326387535951 114.818 > 31 32 In 0.02522268458901 0.41666666666667 0.10326387535951 114.818 > 31 33 In 0.02522268458901 0.75000000000000 0.10326387535951 114.818 > 31 34 In 0.94275393781754 0.25000000000000 0.38369439521552 114.818 > 34 35 In 0.94275393781754 0.58333333333333 0.38369439521552 114.818 > 34 36 In 0.94275393781754 0.91666666666667 0.38369439521552 114.818 > 34 37 S 0.53603899221054 0.08333333333333 0.09009537388367 32.065 > 37 38 S 0.53603899221054 0.41666666666667 0.09009537388367 32.065 > 37 39 S 0.53603899221054 0.75000000000000 0.09009537388367 32.065 > 37 40 S 0.16974322250713 0.25000000000000 0.03191230563433 32.065 > 40 41 S 0.16974322250713 0.58333333333333 0.03191230563433 32.065 > 40 42 S 0.16974322250713 0.91666666666667 0.03191230563433 32.065 > 40 43 S 0.83913359524583 0.25000000000000 0.50982313219862 32.065 > 43 44 S 0.83913359524583 0.58333333333333 0.50982313219862 32.065 > 43 45 S 0.83913359524583 0.91666666666667 0.50982313219862 32.065 > 43 46 S 0.44565404862518 0.25000000000000 0.40955772446504 32.065 > 46 47 S 0.44565404862518 0.58333333333333 0.40955772446504 32.065 > 46 48 S 0.44565404862518 0.91666666666667 0.40955772446504 32.065 > 46 49 S 0.83025677749287 0.08333333333333 0.96808769436567 32.065 > 49 50 S 0.83025677749287 0.41666666666667 0.96808769436567 32.065 > 49 51 S 0.83025677749287 0.75000000000000 0.96808769436567 32.065 > 49 52 S 0.24818375385101 0.08333333333333 0.22612976117023 32.065 > 52 53 S 0.24818375385101 0.41666666666667 0.22612976117023 32.065 > 52 54 S 0.24818375385101 0.75000000000000 0.22612976117023 32.065 > 52 55 S 0.76266071606479 0.08333333333333 0.32949123237814 32.065 > 55 56 S 0.76266071606479 0.41666666666667 0.32949123237814 32.065 > 55 57 S 0.76266071606479 0.75000000000000 0.32949123237814 32.065 > 55 58 S 0.75181624614899 0.25000000000000 0.77387023882977 32.065 > 58 59 S 0.75181624614899 0.58333333333333 0.77387023882977 32.065 > 58 60 S 0.75181624614899 0.91666666666667 0.77387023882977 32.065 > 58 61 S 0.46396100778946 0.25000000000000 0.90990462611633 32.065 > 61 62 S 0.46396100778946 0.58333333333333 0.90990462611633 32.065 > 61 63 S 0.46396100778946 0.91666666666667 0.90990462611633 32.065 > 61 64 S 0.11265014081719 0.08333333333333 0.84482213707208 32.065 > 64 65 S 0.11265014081719 0.41666666666667 0.84482213707208 32.065 > 64 66 S 0.11265014081719 0.75000000000000 0.84482213707208 32.065 > 64 67 S 0.88734985918281 0.25000000000000 0.15517786292792 32.065 > 67 68 S 0.88734985918281 0.58333333333333 0.15517786292792 32.065 > 67 69 S 0.88734985918281 0.91666666666667 0.15517786292792 32.065 > 67 70 S 0.16086640475417 0.08333333333333 0.49017686780138 32.065 > 70 71 S 0.16086640475417 0.41666666666667 0.49017686780138 32.065 > 70 72 S 0.16086640475417 0.75000000000000 0.49017686780138 32.065 > 70 73 S 0.23733928393521 0.25000000000000 0.67050876762186 32.065 > 73 74 S 0.23733928393521 0.58333333333333 0.67050876762186 32.065 > 73 75 S 0.23733928393521 0.91666666666667 0.67050876762186 32.065 > 73 76 S 0.55434595137482 0.08333333333333 0.59044227553496 32.065 > 76 77 S 0.55434595137482 0.41666666666667 0.59044227553496 32.065 > 76 78 S 0.55434595137482 0.75000000000000 0.59044227553496 32.065 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.9227391 0.0000000 0.2498905 0.0000000 9.6933395 0.0000000 0.2499029 0.0000000 9.3769325 -------------------------- Born effective charges -------------------------- 1 Tl 1.9911220 0.0000000 0.0795582 0.0000000 2.4298471 0.0000000 -0.0380914 0.0000000 2.4855435 2 Tl 1.9911220 0.0000000 0.0795582 0.0000000 2.4298471 0.0000000 -0.0380914 0.0000000 2.4855435 3 In 4.0899618 0.0000000 -0.3627657 0.0000000 4.1897194 0.0000000 -0.1575322 0.0000000 2.8418343 4 In 2.8363836 0.0000000 -0.0432093 0.0000000 4.1418346 0.0000000 0.4558326 0.0000000 3.7387665 5 In 4.0899618 0.0000000 -0.3627657 0.0000000 4.1897194 0.0000000 -0.1575322 0.0000000 2.8418343 6 In 3.3207356 0.0000000 -0.0340269 0.0000000 3.4995035 0.0000000 0.1133043 0.0000000 2.5087010 7 In 4.1682602 0.0000000 0.2394794 0.0000000 4.2825360 0.0000000 -0.0345780 0.0000000 2.9259469 8 In 2.3712336 0.0000000 0.4059268 0.0000000 2.6597555 0.0000000 0.2391503 0.0000000 2.8835592 9 In 2.3712336 0.0000000 0.4059268 0.0000000 2.6597555 0.0000000 0.2391503 0.0000000 2.8835592 10 In 4.1682602 0.0000000 0.2394794 0.0000000 4.2825360 0.0000000 -0.0345780 0.0000000 2.9259469 11 In 2.8363836 0.0000000 -0.0432093 0.0000000 4.1418346 0.0000000 0.4558326 0.0000000 3.7387665 12 In 3.3207356 0.0000000 -0.0340269 0.0000000 3.4995035 0.0000000 0.1133043 0.0000000 2.5087010 13 S -2.2873848 0.0000000 -0.0573839 0.0000000 -3.1841481 0.0000000 0.1751013 0.0000000 -2.6892821 14 S -2.6176592 0.0000000 0.5168368 0.0000000 -3.6453696 0.0000000 0.7776648 0.0000000 -2.2410789 15 S -2.6621074 0.0000000 -0.1904481 0.0000000 -3.1991496 0.0000000 -0.2739234 0.0000000 -2.5551120 16 S -3.4398725 0.0000000 -0.5751804 0.0000000 -2.2066651 0.0000000 -0.5132210 0.0000000 -2.6659584 17 S -2.6176592 0.0000000 0.5168368 0.0000000 -3.6453696 0.0000000 0.7776648 0.0000000 -2.2410789 18 S -2.2544703 0.0000000 0.3065838 0.0000000 -3.2289874 0.0000000 0.0467558 0.0000000 -2.8414387 19 S -3.1993226 0.0000000 -0.0592775 0.0000000 -3.3413421 0.0000000 -0.3063134 0.0000000 -2.0601886 20 S -2.2544703 0.0000000 0.3065838 0.0000000 -3.2289874 0.0000000 0.0467558 0.0000000 -2.8414387 21 S -2.2873848 0.0000000 -0.0573839 0.0000000 -3.1841481 0.0000000 0.1751013 0.0000000 -2.6892821 22 S -2.3168800 0.0000000 -0.2260931 0.0000000 -2.3975344 0.0000000 -0.4841498 0.0000000 -2.3312927 23 S -2.3168800 0.0000000 -0.2260931 0.0000000 -2.3975344 0.0000000 -0.4841498 0.0000000 -2.3312927 24 S -2.6621074 0.0000000 -0.1904481 0.0000000 -3.1991496 0.0000000 -0.2739234 0.0000000 -2.5551120 25 S -3.1993226 0.0000000 -0.0592775 0.0000000 -3.3413421 0.0000000 -0.3063134 0.0000000 -2.0601886 26 S -3.4398725 0.0000000 -0.5751804 0.0000000 -2.2066651 0.0000000 -0.5132210 0.0000000 -2.6659584 ---------------------------------------------------------------------------- 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 7, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 10, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 16, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 19, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 22, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 37, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 40, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 43, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 46, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 52, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 55, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 64, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) 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 17:32:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:32:30]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.043663300296082 0.000000000000000 0.000000000000000 b 0.000000000000000 3.876957210000000 0.000000000000000 c -3.628730846729046 0.000000000000000 16.828454323709945 Atomic positions (fractional): 1 Tl 0.53611308955772 0.75000000000000 0.22742362579843 204.383 2 Tl 0.46388691044228 0.25000000000000 0.77257637420157 204.383 3 In 0.35384022726754 0.75000000000000 0.54521933034434 114.818 4 In 0.97477731541099 0.75000000000000 0.89673612464049 114.818 5 In 0.64615977273246 0.25000000000000 0.45478066965566 114.818 6 In 0.05724606218246 0.25000000000000 0.61630560478448 114.818 7 In 0.32678489926424 0.25000000000000 0.96697797604873 114.818 8 In 0.18290309047133 0.75000000000000 0.30817095268488 114.818 9 In 0.81709690952867 0.25000000000000 0.69182904731512 114.818 10 In 0.67321510073576 0.75000000000000 0.03302202395127 114.818 11 In 0.02522268458901 0.25000000000000 0.10326387535951 114.818 12 In 0.94275393781754 0.75000000000000 0.38369439521552 114.818 13 S 0.53603899221054 0.25000000000000 0.09009537388367 32.065 14 S 0.16974322250713 0.75000000000000 0.03191230563433 32.065 15 S 0.83913359524583 0.75000000000000 0.50982313219862 32.065 16 S 0.44565404862518 0.75000000000000 0.40955772446504 32.065 17 S 0.83025677749287 0.25000000000000 0.96808769436567 32.065 18 S 0.24818375385101 0.25000000000000 0.22612976117023 32.065 19 S 0.76266071606479 0.25000000000000 0.32949123237814 32.065 20 S 0.75181624614899 0.75000000000000 0.77387023882977 32.065 21 S 0.46396100778946 0.75000000000000 0.90990462611633 32.065 22 S 0.11265014081719 0.25000000000000 0.84482213707208 32.065 23 S 0.88734985918281 0.75000000000000 0.15517786292792 32.065 24 S 0.16086640475417 0.25000000000000 0.49017686780138 32.065 25 S 0.23733928393521 0.75000000000000 0.67050876762186 32.065 26 S 0.55434595137482 0.25000000000000 0.59044227553496 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.043663300296082 0.000000000000000 0.000000000000000 b 0.000000000000000 11.630871630000000 0.000000000000000 c -3.628730846729046 0.000000000000000 16.828454323709945 Atomic positions (fractional): 1 Tl 0.53611308955772 0.25000000000000 0.22742362579843 204.383 > 1 2 Tl 0.53611308955772 0.58333333333333 0.22742362579843 204.383 > 1 3 Tl 0.53611308955772 0.91666666666667 0.22742362579843 204.383 > 1 4 Tl 0.46388691044228 0.08333333333333 0.77257637420157 204.383 > 4 5 Tl 0.46388691044228 0.41666666666667 0.77257637420157 204.383 > 4 6 Tl 0.46388691044228 0.75000000000000 0.77257637420157 204.383 > 4 7 In 0.35384022726754 0.25000000000000 0.54521933034434 114.818 > 7 8 In 0.35384022726754 0.58333333333333 0.54521933034434 114.818 > 7 9 In 0.35384022726754 0.91666666666667 0.54521933034434 114.818 > 7 10 In 0.97477731541099 0.25000000000000 0.89673612464049 114.818 > 10 11 In 0.97477731541099 0.58333333333333 0.89673612464049 114.818 > 10 12 In 0.97477731541099 0.91666666666667 0.89673612464049 114.818 > 10 13 In 0.64615977273246 0.08333333333333 0.45478066965566 114.818 > 13 14 In 0.64615977273246 0.41666666666667 0.45478066965566 114.818 > 13 15 In 0.64615977273246 0.75000000000000 0.45478066965566 114.818 > 13 16 In 0.05724606218246 0.08333333333333 0.61630560478448 114.818 > 16 17 In 0.05724606218246 0.41666666666667 0.61630560478448 114.818 > 16 18 In 0.05724606218246 0.75000000000000 0.61630560478448 114.818 > 16 19 In 0.32678489926424 0.08333333333333 0.96697797604873 114.818 > 19 20 In 0.32678489926424 0.41666666666667 0.96697797604873 114.818 > 19 21 In 0.32678489926424 0.75000000000000 0.96697797604873 114.818 > 19 22 In 0.18290309047133 0.25000000000000 0.30817095268488 114.818 > 22 23 In 0.18290309047133 0.58333333333333 0.30817095268488 114.818 > 22 24 In 0.18290309047133 0.91666666666667 0.30817095268488 114.818 > 22 25 In 0.81709690952867 0.08333333333333 0.69182904731512 114.818 > 25 26 In 0.81709690952867 0.41666666666667 0.69182904731512 114.818 > 25 27 In 0.81709690952867 0.75000000000000 0.69182904731512 114.818 > 25 28 In 0.67321510073576 0.25000000000000 0.03302202395127 114.818 > 28 29 In 0.67321510073576 0.58333333333333 0.03302202395127 114.818 > 28 30 In 0.67321510073576 0.91666666666667 0.03302202395127 114.818 > 28 31 In 0.02522268458901 0.08333333333333 0.10326387535951 114.818 > 31 32 In 0.02522268458901 0.41666666666667 0.10326387535951 114.818 > 31 33 In 0.02522268458901 0.75000000000000 0.10326387535951 114.818 > 31 34 In 0.94275393781754 0.25000000000000 0.38369439521552 114.818 > 34 35 In 0.94275393781754 0.58333333333333 0.38369439521552 114.818 > 34 36 In 0.94275393781754 0.91666666666667 0.38369439521552 114.818 > 34 37 S 0.53603899221054 0.08333333333333 0.09009537388367 32.065 > 37 38 S 0.53603899221054 0.41666666666667 0.09009537388367 32.065 > 37 39 S 0.53603899221054 0.75000000000000 0.09009537388367 32.065 > 37 40 S 0.16974322250713 0.25000000000000 0.03191230563433 32.065 > 40 41 S 0.16974322250713 0.58333333333333 0.03191230563433 32.065 > 40 42 S 0.16974322250713 0.91666666666667 0.03191230563433 32.065 > 40 43 S 0.83913359524583 0.25000000000000 0.50982313219862 32.065 > 43 44 S 0.83913359524583 0.58333333333333 0.50982313219862 32.065 > 43 45 S 0.83913359524583 0.91666666666667 0.50982313219862 32.065 > 43 46 S 0.44565404862518 0.25000000000000 0.40955772446504 32.065 > 46 47 S 0.44565404862518 0.58333333333333 0.40955772446504 32.065 > 46 48 S 0.44565404862518 0.91666666666667 0.40955772446504 32.065 > 46 49 S 0.83025677749287 0.08333333333333 0.96808769436567 32.065 > 49 50 S 0.83025677749287 0.41666666666667 0.96808769436567 32.065 > 49 51 S 0.83025677749287 0.75000000000000 0.96808769436567 32.065 > 49 52 S 0.24818375385101 0.08333333333333 0.22612976117023 32.065 > 52 53 S 0.24818375385101 0.41666666666667 0.22612976117023 32.065 > 52 54 S 0.24818375385101 0.75000000000000 0.22612976117023 32.065 > 52 55 S 0.76266071606479 0.08333333333333 0.32949123237814 32.065 > 55 56 S 0.76266071606479 0.41666666666667 0.32949123237814 32.065 > 55 57 S 0.76266071606479 0.75000000000000 0.32949123237814 32.065 > 55 58 S 0.75181624614899 0.25000000000000 0.77387023882977 32.065 > 58 59 S 0.75181624614899 0.58333333333333 0.77387023882977 32.065 > 58 60 S 0.75181624614899 0.91666666666667 0.77387023882977 32.065 > 58 61 S 0.46396100778946 0.25000000000000 0.90990462611633 32.065 > 61 62 S 0.46396100778946 0.58333333333333 0.90990462611633 32.065 > 61 63 S 0.46396100778946 0.91666666666667 0.90990462611633 32.065 > 61 64 S 0.11265014081719 0.08333333333333 0.84482213707208 32.065 > 64 65 S 0.11265014081719 0.41666666666667 0.84482213707208 32.065 > 64 66 S 0.11265014081719 0.75000000000000 0.84482213707208 32.065 > 64 67 S 0.88734985918281 0.25000000000000 0.15517786292792 32.065 > 67 68 S 0.88734985918281 0.58333333333333 0.15517786292792 32.065 > 67 69 S 0.88734985918281 0.91666666666667 0.15517786292792 32.065 > 67 70 S 0.16086640475417 0.08333333333333 0.49017686780138 32.065 > 70 71 S 0.16086640475417 0.41666666666667 0.49017686780138 32.065 > 70 72 S 0.16086640475417 0.75000000000000 0.49017686780138 32.065 > 70 73 S 0.23733928393521 0.25000000000000 0.67050876762186 32.065 > 73 74 S 0.23733928393521 0.58333333333333 0.67050876762186 32.065 > 73 75 S 0.23733928393521 0.91666666666667 0.67050876762186 32.065 > 73 76 S 0.55434595137482 0.08333333333333 0.59044227553496 32.065 > 76 77 S 0.55434595137482 0.41666666666667 0.59044227553496 32.065 > 76 78 S 0.55434595137482 0.75000000000000 0.59044227553496 32.065 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.9227391 0.0000000 0.2498905 0.0000000 9.6933395 0.0000000 0.2499029 0.0000000 9.3769325 -------------------------- Born effective charges -------------------------- 1 Tl 1.9911220 0.0000000 0.0795582 0.0000000 2.4298471 0.0000000 -0.0380914 0.0000000 2.4855435 2 Tl 1.9911220 0.0000000 0.0795582 0.0000000 2.4298471 0.0000000 -0.0380914 0.0000000 2.4855435 3 In 4.0899618 0.0000000 -0.3627657 0.0000000 4.1897194 0.0000000 -0.1575322 0.0000000 2.8418343 4 In 2.8363836 0.0000000 -0.0432093 0.0000000 4.1418346 0.0000000 0.4558326 0.0000000 3.7387665 5 In 4.0899618 0.0000000 -0.3627657 0.0000000 4.1897194 0.0000000 -0.1575322 0.0000000 2.8418343 6 In 3.3207356 0.0000000 -0.0340269 0.0000000 3.4995035 0.0000000 0.1133043 0.0000000 2.5087010 7 In 4.1682602 0.0000000 0.2394794 0.0000000 4.2825360 0.0000000 -0.0345780 0.0000000 2.9259469 8 In 2.3712336 0.0000000 0.4059268 0.0000000 2.6597555 0.0000000 0.2391503 0.0000000 2.8835592 9 In 2.3712336 0.0000000 0.4059268 0.0000000 2.6597555 0.0000000 0.2391503 0.0000000 2.8835592 10 In 4.1682602 0.0000000 0.2394794 0.0000000 4.2825360 0.0000000 -0.0345780 0.0000000 2.9259469 11 In 2.8363836 0.0000000 -0.0432093 0.0000000 4.1418346 0.0000000 0.4558326 0.0000000 3.7387665 12 In 3.3207356 0.0000000 -0.0340269 0.0000000 3.4995035 0.0000000 0.1133043 0.0000000 2.5087010 13 S -2.2873848 0.0000000 -0.0573839 0.0000000 -3.1841481 0.0000000 0.1751013 0.0000000 -2.6892821 14 S -2.6176592 0.0000000 0.5168368 0.0000000 -3.6453696 0.0000000 0.7776648 0.0000000 -2.2410789 15 S -2.6621074 0.0000000 -0.1904481 0.0000000 -3.1991496 0.0000000 -0.2739234 0.0000000 -2.5551120 16 S -3.4398725 0.0000000 -0.5751804 0.0000000 -2.2066651 0.0000000 -0.5132210 0.0000000 -2.6659584 17 S -2.6176592 0.0000000 0.5168368 0.0000000 -3.6453696 0.0000000 0.7776648 0.0000000 -2.2410789 18 S -2.2544703 0.0000000 0.3065838 0.0000000 -3.2289874 0.0000000 0.0467558 0.0000000 -2.8414387 19 S -3.1993226 0.0000000 -0.0592775 0.0000000 -3.3413421 0.0000000 -0.3063134 0.0000000 -2.0601886 20 S -2.2544703 0.0000000 0.3065838 0.0000000 -3.2289874 0.0000000 0.0467558 0.0000000 -2.8414387 21 S -2.2873848 0.0000000 -0.0573839 0.0000000 -3.1841481 0.0000000 0.1751013 0.0000000 -2.6892821 22 S -2.3168800 0.0000000 -0.2260931 0.0000000 -2.3975344 0.0000000 -0.4841498 0.0000000 -2.3312927 23 S -2.3168800 0.0000000 -0.2260931 0.0000000 -2.3975344 0.0000000 -0.4841498 0.0000000 -2.3312927 24 S -2.6621074 0.0000000 -0.1904481 0.0000000 -3.1991496 0.0000000 -0.2739234 0.0000000 -2.5551120 25 S -3.1993226 0.0000000 -0.0592775 0.0000000 -3.3413421 0.0000000 -0.3063134 0.0000000 -2.0601886 26 S -3.4398725 0.0000000 -0.5751804 0.0000000 -2.2066651 0.0000000 -0.5132210 0.0000000 -2.6659584 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy) 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 ... [ 6 13 3 ] 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: 0.50, Number of G-points: 289, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.736 ( 0.000 0.000 0.000) 0.000 0.795 ( 0.000 0.000 0.000) 0.000 0.989 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 0.000) 0.000 1.235 ( 0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.365 ( 0.000 0.000 0.000) 0.000 1.395 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.127 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.759 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.909 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.272 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.330 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.088 ( -0.901 0.000 -0.504) 1.032 0.376 ( 17.500 0.000 8.209) 19.330 0.613 ( 23.428 0.000 17.543) 29.268 0.768 ( 5.074 0.000 -7.198) 8.806 0.880 ( 6.175 0.000 -0.266) 6.181 0.972 ( -0.881 0.000 -3.574) 3.681 1.144 ( 3.346 0.000 -1.626) 3.720 1.223 ( 0.254 0.000 4.830) 4.836 1.242 ( 0.845 0.000 0.020) 0.846 1.284 ( -1.438 0.000 3.547) 3.827 1.345 ( 5.616 0.000 -2.160) 6.017 1.415 ( 1.281 0.000 2.180) 2.528 1.515 ( -1.643 0.000 -0.197) 1.654 1.629 ( -0.447 0.000 -0.617) 0.762 1.641 ( -3.587 0.000 -10.332) 10.937 1.723 ( 1.760 0.000 0.078) 1.762 1.792 ( 5.307 0.000 -2.813) 6.007 1.925 ( 0.985 0.000 1.850) 2.096 1.972 ( 0.465 0.000 -4.236) 4.261 2.016 ( 0.030 0.000 -0.371) 0.372 2.029 ( -3.086 0.000 0.373) 3.108 2.088 ( -2.526 0.000 -0.296) 2.543 2.149 ( -8.763 0.000 -0.093) 8.763 2.175 ( -3.988 0.000 -0.587) 4.031 2.242 ( -0.675 0.000 0.131) 0.687 2.389 ( 4.245 0.000 11.098) 11.882 2.631 ( -2.454 0.000 -4.717) 5.317 2.674 ( -4.195 0.000 -0.816) 4.273 2.824 ( -2.153 0.000 2.630) 3.399 2.883 ( 5.892 0.000 0.030) 5.892 3.029 ( -3.267 0.000 0.462) 3.299 3.569 ( 1.770 0.000 0.253) 1.788 3.661 ( -2.538 0.000 1.221) 2.817 4.026 ( -19.025 0.000 -0.242) 19.026 4.416 ( -1.738 0.000 -1.004) 2.007 4.570 ( -0.178 0.000 -0.015) 0.178 4.777 ( 1.260 0.000 -0.201) 1.276 4.922 ( -1.883 0.000 0.103) 1.886 5.011 ( 10.158 0.000 0.096) 10.159 5.065 ( 17.730 0.000 2.893) 17.964 5.345 ( 5.678 0.000 -5.323) 7.783 5.612 ( 11.628 0.000 0.381) 11.634 5.623 ( -1.308 0.000 -0.016) 1.308 5.846 ( 7.791 0.000 -0.157) 7.793 5.848 ( 6.488 0.000 0.506) 6.508 6.098 ( 1.186 0.000 -0.167) 1.198 6.166 ( -0.631 0.000 -3.437) 3.494 6.288 ( 3.191 0.000 6.511) 7.251 6.488 ( -4.062 0.000 0.427) 4.085 6.582 ( -13.155 0.000 -11.316) 17.352 6.709 ( 2.311 0.000 -3.924) 4.554 6.761 ( -1.612 0.000 -0.174) 1.621 6.805 ( -0.798 0.000 -2.526) 2.649 6.940 ( 1.966 0.000 -0.027) 1.966 7.002 ( 0.923 0.000 10.278) 10.320 7.068 ( 1.776 0.000 -18.852) 18.936 7.195 ( -2.673 0.000 0.828) 2.798 7.235 ( -0.928 0.000 -2.891) 3.036 7.245 ( -0.766 0.000 -1.399) 1.595 7.298 ( 0.066 0.000 0.598) 0.602 7.373 ( 0.393 0.000 -2.306) 2.339 7.474 ( 1.078 0.000 -0.171) 1.091 7.487 ( 0.954 0.000 0.166) 0.969 7.537 ( 4.919 0.000 -1.389) 5.112 7.577 ( -6.535 0.000 -0.280) 6.541 7.891 ( -7.607 0.000 2.987) 8.173 7.931 ( 0.373 0.000 2.342) 2.372 7.983 ( -4.349 0.000 5.277) 6.838 8.164 ( -2.614 0.000 0.767) 2.725 8.235 ( -1.416 0.000 0.219) 1.433 8.393 ( 2.965 0.000 -1.137) 3.176 8.469 ( 0.816 0.000 0.089) 0.821 8.605 ( 1.244 0.000 -0.377) 1.300 8.630 ( 2.320 0.000 -2.514) 3.421 8.833 ( -5.440 0.000 10.292) 11.641 8.864 ( -3.126 0.000 7.198) 7.847 9.111 ( 0.061 0.000 -1.559) 1.560 9.257 ( 1.995 0.000 0.648) 2.098 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( 13.401 0.000 8.704) 15.979 0.675 ( -5.920 0.000 -0.738) 5.966 0.685 ( 12.217 0.000 5.577) 13.430 0.919 ( 2.541 0.000 -6.139) 6.644 0.936 ( -1.593 0.000 -2.700) 3.135 1.118 ( 11.408 0.000 11.740) 16.370 1.212 ( 4.170 0.000 -1.583) 4.460 1.237 ( 1.882 0.000 3.034) 3.570 1.275 ( 3.173 0.000 -1.789) 3.643 1.340 ( 6.229 0.000 3.450) 7.121 1.416 ( -3.180 0.000 2.120) 3.822 1.436 ( -0.311 0.000 -11.150) 11.154 1.492 ( 0.187 0.000 -0.395) 0.437 1.643 ( 2.371 0.000 0.469) 2.417 1.689 ( 13.613 0.000 2.859) 13.910 1.753 ( 1.399 0.000 -0.464) 1.474 1.766 ( -4.331 0.000 0.611) 4.374 1.896 ( -3.530 0.000 -6.010) 6.970 1.926 ( -8.989 0.000 0.332) 8.995 1.987 ( -5.902 0.000 0.096) 5.903 2.005 ( 2.609 0.000 0.250) 2.621 2.048 ( -1.811 0.000 -0.233) 1.826 2.070 ( 4.413 0.000 -2.061) 4.870 2.140 ( 3.514 0.000 -0.725) 3.588 2.232 ( -0.406 0.000 0.065) 0.411 2.481 ( -11.107 0.000 -1.647) 11.229 2.524 ( 4.082 0.000 2.485) 4.779 2.643 ( 2.715 0.000 2.629) 3.779 2.785 ( -2.915 0.000 0.373) 2.939 2.924 ( -9.208 0.000 0.031) 9.208 2.985 ( 4.340 0.000 0.018) 4.340 3.543 ( -4.347 0.000 1.086) 4.480 3.620 ( -1.840 0.000 0.415) 1.886 3.681 ( -14.647 0.000 -1.385) 14.712 4.430 ( 2.105 0.000 0.506) 2.165 4.567 ( -0.158 0.000 0.004) 0.158 4.808 ( 1.470 0.000 0.387) 1.520 4.887 ( -1.624 0.000 0.066) 1.626 5.145 ( 4.930 0.000 -0.386) 4.945 5.403 ( 13.899 0.000 2.724) 14.163 5.461 ( 7.409 0.000 2.314) 7.762 5.607 ( -0.435 0.000 -0.027) 0.436 5.889 ( 13.828 0.000 0.749) 13.848 5.966 ( 4.225 0.000 -0.344) 4.239 6.010 ( 9.175 0.000 0.094) 9.176 6.125 ( 2.008 0.000 -0.664) 2.115 6.136 ( 1.767 0.000 -5.020) 5.322 6.319 ( -6.261 0.000 -1.236) 6.382 6.382 ( -7.427 0.000 0.662) 7.456 6.385 ( 0.036 0.000 0.193) 0.196 6.706 ( -1.576 0.000 -1.241) 2.006 6.731 ( -1.357 0.000 -0.119) 1.362 6.811 ( 2.323 0.000 1.546) 2.790 6.924 ( -10.030 0.000 2.426) 10.319 6.982 ( 2.349 0.000 -0.102) 2.351 7.058 ( 1.250 0.000 -1.907) 2.280 7.151 ( -2.329 0.000 1.300) 2.667 7.210 ( -2.476 0.000 -3.379) 4.189 7.215 ( -1.426 0.000 -1.897) 2.374 7.301 ( -0.034 0.000 0.691) 0.692 7.368 ( -0.360 0.000 -4.394) 4.409 7.474 ( 1.288 0.000 -2.792) 3.074 7.496 ( 1.071 0.000 -0.004) 1.071 7.504 ( 0.736 0.000 -0.004) 0.736 7.633 ( 1.461 0.000 4.308) 4.549 7.746 ( -7.351 0.000 -0.081) 7.351 7.887 ( -3.177 0.000 0.210) 3.184 7.968 ( -0.008 0.000 1.062) 1.062 8.140 ( -0.785 0.000 -0.293) 0.837 8.208 ( -1.414 0.000 0.330) 1.452 8.390 ( -0.926 0.000 -1.269) 1.570 8.496 ( 1.216 0.000 -0.046) 1.217 8.630 ( 1.185 0.000 0.065) 1.187 8.654 ( 1.038 0.000 -1.758) 2.042 8.747 ( -3.746 0.000 -0.442) 3.772 8.895 ( 1.077 0.000 7.421) 7.499 9.098 ( -0.703 0.000 -1.236) 1.422 9.291 ( 1.351 0.000 0.158) 1.361 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.000 0.000 0.000) 0.000 0.589 ( 0.000 0.000 0.000) 0.000 0.830 ( 0.000 0.000 0.000) 0.000 0.901 ( 0.000 0.000 -0.000) 0.000 0.907 ( 0.000 0.000 0.000) 0.000 1.213 ( 0.000 0.000 -0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.286 ( -0.000 0.000 -0.000) 0.000 1.379 ( 0.000 0.000 -0.000) 0.000 1.381 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.553 ( -0.000 0.000 -0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.705 ( 0.000 0.000 -0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 -0.000) 0.000 1.801 ( 0.000 0.000 -0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 -0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 -0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.303 ( -0.000 0.000 -0.000) 0.000 2.619 ( -0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 -0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 -0.000) 0.000 3.027 ( 0.000 0.000 -0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 -0.000) 0.000 4.456 ( 0.000 0.000 -0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 -0.000) 0.000 5.189 ( 0.000 0.000 -0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.604 ( 0.000 0.000 -0.000) 0.000 5.606 ( 0.000 0.000 -0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 -0.000) 0.000 6.133 ( -0.000 0.000 -0.000) 0.000 6.197 ( -0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 -0.000) 0.000 6.253 ( 0.000 0.000 -0.000) 0.000 6.292 ( -0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 -0.000) 0.000 6.717 ( 0.000 0.000 -0.000) 0.000 6.733 ( -0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 -0.000) 0.000 6.853 ( 0.000 0.000 -0.000) 0.000 7.008 ( 0.000 0.000 -0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 -0.000) 0.000 7.302 ( 0.000 0.000 -0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.507 ( 0.000 0.000 -0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 -0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 -0.000) 0.000 8.132 ( 0.000 0.000 -0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 -0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 0.000 19.260 0.000) 19.260 0.434 ( 0.000 21.704 0.000) 21.704 0.709 ( 0.000 24.655 0.000) 24.655 0.850 ( 0.000 12.143 0.000) 12.143 0.889 ( 0.000 15.144 0.000) 15.144 0.940 ( 0.000 -4.161 0.000) 4.161 1.125 ( 0.000 1.512 0.000) 1.512 1.216 ( 0.000 3.092 0.000) 3.092 1.331 ( 0.000 5.581 0.000) 5.581 1.354 ( 0.000 3.173 0.000) 3.173 1.408 ( 0.000 10.001 0.000) 10.001 1.579 ( 0.000 9.934 0.000) 9.934 1.636 ( 0.000 6.859 0.000) 6.859 1.651 ( 0.000 2.263 0.000) 2.263 1.721 ( 0.000 8.325 0.000) 8.325 1.778 ( 0.000 6.086 0.000) 6.086 1.853 ( 0.000 -3.251 0.000) 3.251 1.897 ( 0.000 7.939 0.000) 7.939 1.988 ( 0.000 5.709 0.000) 5.709 2.014 ( 0.000 -0.804 0.000) 0.804 2.097 ( 0.000 1.071 0.000) 1.071 2.203 ( 0.000 3.072 0.000) 3.072 2.278 ( 0.000 3.057 0.000) 3.057 2.294 ( 0.000 6.511 0.000) 6.511 2.369 ( 0.000 10.910 0.000) 10.910 2.393 ( 0.000 6.501 0.000) 6.501 2.676 ( 0.000 -2.395 0.000) 2.395 2.684 ( 0.000 1.630 0.000) 1.630 2.894 ( 0.000 5.834 0.000) 5.834 3.031 ( 0.000 -2.320 0.000) 2.320 3.483 ( 0.000 -4.167 0.000) 4.167 3.521 ( 0.000 -2.872 0.000) 2.872 3.625 ( 0.000 16.080 0.000) 16.080 4.194 ( 0.000 -4.486 0.000) 4.486 4.457 ( 0.000 -1.124 0.000) 1.124 4.613 ( 0.000 2.878 0.000) 2.878 4.753 ( 0.000 -2.804 0.000) 2.804 4.775 ( 0.000 -3.319 0.000) 3.319 4.897 ( 0.000 8.738 0.000) 8.738 5.046 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 6.097 0.000) 6.097 5.508 ( 0.000 3.415 0.000) 3.415 5.781 ( 0.000 1.827 0.000) 1.827 5.882 ( 0.000 8.892 0.000) 8.892 6.006 ( 0.000 8.615 0.000) 8.615 6.090 ( 0.000 -1.416 0.000) 1.416 6.183 ( 0.000 2.221 0.000) 2.221 6.274 ( 0.000 1.896 0.000) 1.896 6.520 ( 0.000 -1.912 0.000) 1.912 6.623 ( 0.000 -6.425 0.000) 6.425 6.713 ( 0.000 2.090 0.000) 2.090 6.779 ( 0.000 -0.140 0.000) 0.140 6.806 ( 0.000 -0.141 0.000) 0.141 6.950 ( 0.000 3.765 0.000) 3.765 6.988 ( 0.000 9.290 0.000) 9.290 7.077 ( 0.000 -5.004 0.000) 5.004 7.107 ( 0.000 -0.405 0.000) 0.405 7.287 ( 0.000 0.623 0.000) 0.623 7.302 ( 0.000 6.170 0.000) 6.170 7.362 ( 0.000 1.890 0.000) 1.890 7.372 ( 0.000 2.966 0.000) 2.966 7.470 ( 0.000 4.641 0.000) 4.641 7.495 ( 0.000 5.125 0.000) 5.125 7.566 ( 0.000 5.749 0.000) 5.749 7.671 ( 0.000 0.428 0.000) 0.428 7.941 ( 0.000 1.126 0.000) 1.126 7.974 ( 0.000 -2.284 0.000) 2.284 8.239 ( 0.000 -1.255 0.000) 1.255 8.247 ( 0.000 -2.672 0.000) 2.672 8.253 ( 0.000 -1.134 0.000) 1.134 8.321 ( 0.000 -0.801 0.000) 0.801 8.466 ( 0.000 -0.352 0.000) 0.352 8.566 ( 0.000 -2.458 0.000) 2.458 8.718 ( 0.000 0.509 0.000) 0.509 8.739 ( 0.000 -3.375 0.000) 3.375 8.894 ( 0.000 -2.061 0.000) 2.061 9.088 ( 0.000 -1.893 0.000) 1.893 9.213 ( 0.000 -1.775 0.000) 1.775 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -4.141 20.481 2.212) 21.012 0.459 ( 8.715 12.181 0.036) 14.978 0.762 ( -0.639 5.280 5.557) 7.692 0.834 ( 6.904 5.230 -7.403) 11.394 0.942 ( 3.193 6.105 -1.119) 6.980 1.045 ( 4.756 10.298 3.996) 12.027 1.220 ( -0.204 1.025 3.005) 3.182 1.247 ( 5.985 4.092 3.561) 8.077 1.330 ( -1.214 8.315 -1.720) 8.577 1.373 ( 7.503 4.827 -1.325) 9.019 1.382 ( 1.160 11.482 0.146) 11.541 1.578 ( -1.936 5.494 0.824) 5.883 1.593 ( -1.998 8.034 -0.264) 8.283 1.696 ( 0.665 10.861 -1.451) 10.978 1.735 ( 2.648 4.799 -1.028) 5.577 1.787 ( 2.218 7.415 -1.812) 7.949 1.858 ( -1.846 -1.657 3.156) 4.014 1.913 ( 2.452 6.155 -3.011) 7.278 1.971 ( -0.579 2.189 -3.321) 4.020 2.023 ( 1.563 2.204 -0.981) 2.874 2.064 ( -3.011 1.402 0.837) 3.425 2.147 ( -4.223 3.981 -2.627) 6.370 2.200 ( -5.156 6.223 -0.770) 8.118 2.294 ( 0.320 6.188 0.209) 6.200 2.402 ( 0.986 10.856 0.771) 10.928 2.476 ( 5.084 8.174 6.943) 11.869 2.642 ( -1.334 0.450 -3.079) 3.385 2.670 ( -4.045 1.708 -0.073) 4.392 2.830 ( -4.068 4.768 1.263) 6.394 2.999 ( -3.063 -1.395 -0.918) 3.488 3.296 ( -8.477 20.592 -3.445) 22.534 3.525 ( 0.263 -3.975 0.215) 3.990 3.635 ( -0.779 2.629 0.879) 2.879 4.004 ( -16.926 -1.622 -0.092) 17.004 4.374 ( -3.803 -2.335 0.392) 4.480 4.641 ( 0.804 4.936 0.433) 5.019 4.726 ( 1.448 -2.570 0.093) 2.951 4.928 ( 10.692 -4.241 0.105) 11.502 5.087 ( 14.384 1.597 4.537) 15.167 5.120 ( 2.989 6.318 0.763) 7.031 5.312 ( 4.880 3.870 -4.311) 7.575 5.541 ( 3.808 -0.136 0.283) 3.821 5.790 ( -3.640 9.569 -0.708) 10.262 5.841 ( 2.945 1.991 -0.754) 3.634 6.043 ( 6.052 5.568 0.352) 8.231 6.116 ( 3.043 4.474 -1.277) 5.559 6.232 ( 2.787 2.415 1.637) 4.035 6.305 ( 1.932 3.092 3.473) 5.035 6.402 ( -7.224 -0.896 -3.561) 8.104 6.598 ( -1.696 -4.594 -2.373) 5.442 6.674 ( -5.148 0.521 -4.834) 7.081 6.791 ( 1.650 -0.845 1.380) 2.311 6.848 ( -3.036 6.200 -6.106) 9.216 6.876 ( 1.501 -1.816 1.683) 2.896 7.012 ( 1.345 0.112 -3.511) 3.761 7.113 ( -0.730 -3.924 0.838) 4.078 7.120 ( 0.863 2.236 4.409) 5.018 7.241 ( -3.056 0.369 -3.040) 4.327 7.246 ( -1.475 3.095 -1.922) 3.931 7.387 ( 0.609 2.890 0.796) 3.059 7.414 ( 1.549 6.030 0.775) 6.274 7.481 ( 1.981 2.738 1.562) 3.723 7.513 ( 0.461 5.167 0.804) 5.250 7.611 ( 0.953 3.078 -8.337) 8.938 7.634 ( 0.099 5.201 6.300) 8.170 7.887 ( -5.601 -1.739 -0.269) 5.871 7.950 ( -3.106 1.437 0.733) 3.500 8.100 ( -6.808 1.861 -3.963) 8.094 8.184 ( -6.665 3.735 1.961) 7.888 8.238 ( -0.798 0.436 -0.511) 1.043 8.380 ( 3.775 -1.366 -0.643) 4.065 8.462 ( 0.230 -0.699 0.176) 0.756 8.585 ( 1.855 -3.261 -0.309) 3.764 8.612 ( -0.843 -0.252 -4.125) 4.218 8.805 ( -2.578 -2.726 13.591) 14.100 8.827 ( -5.068 -3.004 0.288) 5.898 9.088 ( 0.085 -1.838 -1.414) 2.320 9.233 ( 1.955 -2.103 0.371) 2.895 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 6.378 14.089 3.792) 15.923 0.644 ( 5.077 1.332 0.734) 5.300 0.783 ( 4.674 6.221 2.365) 8.133 0.889 ( 1.475 0.341 -6.073) 6.258 1.001 ( 2.518 5.003 -1.535) 5.808 1.113 ( 1.195 1.646 5.790) 6.137 1.222 ( 1.805 0.557 4.042) 4.462 1.278 ( -2.201 3.398 -6.837) 7.946 1.359 ( 4.769 2.201 1.573) 5.483 1.379 ( 1.159 8.893 1.300) 9.062 1.491 ( -3.795 2.368 -1.725) 4.794 1.589 ( -1.205 10.321 1.521) 10.502 1.607 ( 5.031 9.783 -0.510) 11.013 1.701 ( -0.281 12.036 -1.326) 12.112 1.744 ( -1.399 2.182 -1.321) 2.909 1.793 ( -1.631 3.894 2.361) 4.837 1.883 ( 6.248 4.907 3.911) 8.855 1.918 ( 1.100 5.931 -2.751) 6.629 1.973 ( -1.898 5.625 -1.853) 6.219 1.989 ( -1.865 1.070 0.123) 2.154 2.033 ( 0.730 2.908 0.948) 3.145 2.117 ( -1.474 5.441 -1.872) 5.940 2.170 ( 6.302 6.946 -3.313) 9.947 2.299 ( 1.112 14.874 0.096) 14.916 2.407 ( -0.416 13.557 1.340) 13.629 2.549 ( -7.603 6.784 -1.567) 10.309 2.590 ( 3.521 6.685 -1.301) 7.666 2.635 ( 2.710 0.652 4.210) 5.049 2.770 ( -3.893 -0.764 0.069) 3.968 2.919 ( -6.267 0.385 -0.091) 6.279 3.215 ( -0.895 19.117 -1.083) 19.168 3.488 ( -3.968 -4.149 0.812) 5.798 3.617 ( -1.293 1.625 0.514) 2.139 3.694 ( -13.638 1.855 -0.866) 13.791 4.359 ( 0.878 -4.975 0.750) 5.107 4.647 ( 0.054 5.446 -0.030) 5.446 4.772 ( 2.462 -1.895 0.378) 3.130 5.049 ( 1.891 6.600 0.395) 6.877 5.136 ( 1.130 3.420 -0.566) 3.646 5.393 ( 8.857 -5.071 3.106) 10.668 5.426 ( 11.610 2.964 0.716) 12.004 5.649 ( 7.117 -2.165 -0.161) 7.441 5.765 ( 2.769 3.662 1.161) 4.736 5.931 ( 1.962 -1.970 -0.655) 2.856 6.029 ( -0.746 -2.734 -4.079) 4.967 6.190 ( -6.286 -3.438 -1.195) 7.264 6.283 ( 5.475 7.457 -0.430) 9.261 6.325 ( 4.206 11.074 1.538) 11.945 6.386 ( 0.355 4.677 0.083) 4.691 6.482 ( -3.464 2.750 -1.307) 4.612 6.629 ( 0.091 -6.901 -0.316) 6.909 6.763 ( -4.654 2.106 -1.431) 5.304 6.815 ( -1.351 0.848 3.441) 3.793 6.870 ( -0.767 1.058 1.920) 2.323 7.030 ( 1.541 -1.510 -3.015) 3.707 7.094 ( -0.596 -3.138 2.288) 3.929 7.124 ( -2.173 5.089 -0.563) 5.562 7.177 ( -1.944 -0.227 -2.860) 3.466 7.246 ( 0.929 0.502 0.416) 1.135 7.333 ( -4.059 3.738 -3.967) 6.796 7.456 ( 1.522 6.400 -1.331) 6.712 7.502 ( 0.558 1.837 -0.583) 2.006 7.536 ( 1.283 3.999 1.426) 4.436 7.577 ( 1.121 7.854 -1.762) 8.127 7.692 ( -0.813 5.270 2.818) 6.031 7.777 ( -3.334 2.453 1.156) 4.297 7.891 ( -3.058 0.231 -0.190) 3.073 7.993 ( -2.998 2.391 -1.099) 3.989 8.130 ( -1.544 -0.583 0.296) 1.677 8.218 ( -1.200 0.955 0.117) 1.538 8.387 ( -0.777 -0.373 -0.890) 1.239 8.482 ( 1.016 -1.372 -0.103) 1.711 8.613 ( 0.813 -1.566 -0.114) 1.768 8.615 ( 1.657 -3.630 -1.953) 4.443 8.717 ( -4.539 -2.696 -0.797) 5.339 8.838 ( 0.320 -4.967 7.623) 9.104 9.080 ( -0.293 -1.660 -1.226) 2.084 9.268 ( 1.440 -2.135 0.135) 2.579 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 8.579 0.000) 8.579 0.649 ( 0.000 7.444 0.000) 7.444 0.861 ( 0.000 -1.826 0.000) 1.826 0.879 ( 0.000 2.341 0.000) 2.341 1.015 ( 0.000 7.114 0.000) 7.114 1.174 ( 0.000 1.812 -0.000) 1.812 1.200 ( 0.000 -1.658 0.000) 1.658 1.324 ( 0.000 -3.741 -0.000) 3.741 1.341 ( -0.000 2.364 0.000) 2.364 1.418 ( 0.000 7.369 0.000) 7.369 1.475 ( -0.000 8.169 0.000) 8.169 1.565 ( 0.000 1.137 0.000) 1.137 1.605 ( 0.000 -1.937 -0.000) 1.937 1.642 ( 0.000 12.966 -0.000) 12.966 1.721 ( 0.000 12.317 0.000) 12.317 1.823 ( -0.000 4.833 -0.000) 4.833 1.908 ( 0.000 5.769 0.000) 5.769 1.935 ( -0.000 7.305 0.000) 7.305 1.944 ( 0.000 0.440 -0.000) 0.440 1.980 ( 0.000 3.829 -0.000) 3.829 2.075 ( 0.000 4.432 0.000) 4.432 2.184 ( -0.000 8.818 0.000) 8.818 2.209 ( 0.000 8.557 0.000) 8.557 2.341 ( 0.000 15.596 0.000) 15.596 2.396 ( 0.000 11.895 -0.000) 11.895 2.448 ( 0.000 12.668 -0.000) 12.668 2.633 ( -0.000 0.724 0.000) 0.724 2.700 ( 0.000 -1.568 -0.000) 1.568 2.717 ( 0.000 5.122 -0.000) 5.122 2.798 ( 0.000 2.128 0.000) 2.128 3.213 ( 0.000 17.151 -0.000) 17.151 3.440 ( 0.000 -2.949 0.000) 2.949 3.558 ( 0.000 2.169 0.000) 2.169 3.608 ( 0.000 1.683 -0.000) 1.683 4.374 ( 0.000 -5.920 -0.000) 5.920 4.647 ( 0.000 5.354 0.000) 5.354 4.798 ( 0.000 -1.209 -0.000) 1.209 5.053 ( 0.000 14.408 -0.000) 14.408 5.155 ( 0.000 -3.430 -0.000) 3.430 5.452 ( 0.000 -3.508 0.000) 3.508 5.586 ( 0.000 -0.961 -0.000) 0.961 5.756 ( -0.000 11.554 -0.000) 11.554 5.786 ( 0.000 -4.518 0.000) 4.518 5.962 ( -0.000 -12.859 -0.000) 12.859 5.992 ( 0.000 -6.336 0.000) 6.336 6.138 ( 0.000 2.210 0.000) 2.210 6.237 ( 0.000 0.322 -0.000) 0.322 6.354 ( 0.000 7.259 -0.000) 7.259 6.422 ( -0.000 7.447 0.000) 7.447 6.515 ( 0.000 10.822 -0.000) 10.822 6.649 ( 0.000 -7.448 0.000) 7.448 6.691 ( 0.000 -1.890 0.000) 1.890 6.778 ( 0.000 4.915 0.000) 4.915 6.895 ( -0.000 2.416 -0.000) 2.416 7.043 ( 0.000 -1.403 -0.000) 1.403 7.067 ( 0.000 1.439 0.000) 1.439 7.100 ( 0.000 -1.967 -0.000) 1.967 7.151 ( 0.000 1.880 0.000) 1.880 7.267 ( 0.000 6.117 0.000) 6.117 7.272 ( -0.000 -2.106 -0.000) 2.106 7.462 ( 0.000 8.051 -0.000) 8.051 7.509 ( 0.000 0.927 0.000) 0.927 7.553 ( 0.000 4.202 0.000) 4.202 7.622 ( 0.000 8.558 -0.000) 8.558 7.629 ( -0.000 3.191 0.000) 3.191 7.775 ( 0.000 6.187 0.000) 6.187 7.859 ( 0.000 0.495 0.000) 0.495 7.968 ( 0.000 0.024 -0.000) 0.024 8.115 ( 0.000 -1.435 -0.000) 1.435 8.205 ( 0.000 1.198 -0.000) 1.198 8.376 ( 0.000 -0.193 0.000) 0.193 8.490 ( 0.000 -1.533 0.000) 1.533 8.621 ( 0.000 -1.807 -0.000) 1.807 8.632 ( 0.000 -2.429 0.000) 2.429 8.666 ( 0.000 -4.221 0.000) 4.221 8.861 ( 0.000 -5.716 0.000) 5.716 9.073 ( 0.000 -1.341 0.000) 1.341 9.282 ( 0.000 -2.083 0.000) 2.083 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 11.833 0.000) 11.833 0.837 ( 0.000 17.970 0.000) 17.970 0.934 ( 0.000 8.250 0.000) 8.250 0.938 ( 0.000 7.155 0.000) 7.155 1.193 ( 0.000 6.015 0.000) 6.015 1.193 ( 0.000 19.417 0.000) 19.417 1.249 ( 0.000 8.493 0.000) 8.493 1.284 ( 0.000 4.147 0.000) 4.147 1.438 ( 0.000 4.223 0.000) 4.223 1.566 ( 0.000 6.122 0.000) 6.122 1.586 ( 0.000 16.552 0.000) 16.552 1.667 ( 0.000 2.879 0.000) 2.879 1.736 ( 0.000 1.589 0.000) 1.589 1.753 ( 0.000 2.540 0.000) 2.540 1.824 ( 0.000 10.427 0.000) 10.427 1.896 ( 0.000 2.223 0.000) 2.223 2.016 ( 0.000 13.284 0.000) 13.284 2.026 ( 0.000 2.428 0.000) 2.428 2.032 ( 0.000 9.900 0.000) 9.900 2.107 ( 0.000 0.336 0.000) 0.336 2.195 ( 0.000 9.548 0.000) 9.548 2.313 ( 0.000 7.787 0.000) 7.787 2.419 ( 0.000 13.156 0.000) 13.156 2.451 ( 0.000 8.946 0.000) 8.946 2.592 ( 0.000 9.369 0.000) 9.369 2.598 ( 0.000 10.514 0.000) 10.514 2.621 ( 0.000 0.872 0.000) 0.872 2.745 ( 0.000 3.018 0.000) 3.018 3.012 ( 0.000 3.061 0.000) 3.061 3.045 ( 0.000 8.542 0.000) 8.542 3.389 ( 0.000 -4.356 0.000) 4.356 3.441 ( 0.000 -5.035 0.000) 5.035 3.881 ( 0.000 6.940 0.000) 6.940 4.091 ( 0.000 -5.230 0.000) 5.230 4.463 ( 0.000 2.755 0.000) 2.755 4.649 ( 0.000 1.069 0.000) 1.069 4.700 ( 0.000 -2.240 0.000) 2.240 4.761 ( 0.000 2.998 0.000) 2.998 4.986 ( 0.000 0.358 0.000) 0.358 5.216 ( 0.000 15.729 0.000) 15.729 5.336 ( 0.000 0.363 0.000) 0.363 5.685 ( 0.000 10.380 0.000) 10.380 5.855 ( 0.000 6.363 0.000) 6.363 5.908 ( 0.000 -4.192 0.000) 4.192 6.109 ( 0.000 4.746 0.000) 4.746 6.226 ( 0.000 11.288 0.000) 11.288 6.308 ( 0.000 0.600 0.000) 0.600 6.327 ( 0.000 8.986 0.000) 8.986 6.451 ( 0.000 -2.650 0.000) 2.650 6.549 ( 0.000 -1.091 0.000) 1.091 6.736 ( 0.000 -0.085 0.000) 0.085 6.786 ( 0.000 0.539 0.000) 0.539 6.806 ( 0.000 0.252 0.000) 0.252 6.992 ( 0.000 -0.090 0.000) 0.090 7.012 ( 0.000 -0.479 0.000) 0.479 7.113 ( 0.000 0.384 0.000) 0.384 7.180 ( 0.000 8.939 0.000) 8.939 7.288 ( 0.000 0.728 0.000) 0.728 7.384 ( 0.000 0.367 0.000) 0.367 7.420 ( 0.000 2.193 0.000) 2.193 7.451 ( 0.000 6.869 0.000) 6.869 7.576 ( 0.000 5.990 0.000) 5.990 7.644 ( 0.000 8.472 0.000) 8.472 7.673 ( 0.000 4.183 0.000) 4.183 7.731 ( 0.000 5.916 0.000) 5.916 7.921 ( 0.000 -2.603 0.000) 2.603 7.968 ( 0.000 1.541 0.000) 1.541 8.177 ( 0.000 -4.071 0.000) 4.071 8.210 ( 0.000 -0.961 0.000) 0.961 8.240 ( 0.000 -0.003 0.000) 0.003 8.305 ( 0.000 -0.545 0.000) 0.545 8.458 ( 0.000 -0.473 0.000) 0.473 8.516 ( 0.000 -2.104 0.000) 2.104 8.654 ( 0.000 -4.700 0.000) 4.700 8.724 ( 0.000 -0.293 0.000) 0.293 8.844 ( 0.000 -2.463 0.000) 2.463 9.048 ( 0.000 -1.875 0.000) 1.875 9.163 ( 0.000 -3.129 0.000) 3.129 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -0.592 12.007 -3.351) 12.480 0.805 ( -2.841 17.456 -0.334) 17.689 0.898 ( -0.635 8.941 2.632) 9.342 1.027 ( -0.256 10.464 2.977) 10.882 1.055 ( 1.323 11.277 -6.293) 12.982 1.221 ( -0.680 6.239 0.716) 6.316 1.255 ( -2.513 2.802 2.891) 4.746 1.360 ( 4.324 7.392 2.771) 9.001 1.435 ( 0.972 3.186 -3.741) 5.009 1.499 ( -4.150 6.651 -5.455) 9.550 1.640 ( -2.643 5.378 3.214) 6.800 1.691 ( 1.857 1.940 0.550) 2.742 1.724 ( 5.853 8.175 1.376) 10.148 1.802 ( 2.680 1.943 1.687) 3.715 1.874 ( 3.340 11.979 2.102) 12.613 1.940 ( 2.291 4.633 1.549) 5.396 1.993 ( -2.394 5.839 -1.327) 6.449 1.999 ( -1.692 4.596 -0.263) 4.905 2.045 ( -2.557 8.273 0.939) 8.710 2.065 ( 1.810 9.600 -0.207) 9.772 2.227 ( 1.068 8.585 -0.747) 8.684 2.290 ( -0.466 8.152 -2.130) 8.439 2.382 ( -4.760 10.426 -0.948) 11.501 2.457 ( 4.548 12.834 -2.974) 13.937 2.608 ( -0.641 7.507 0.766) 7.573 2.615 ( 1.735 2.885 0.603) 3.420 2.666 ( 4.582 7.385 -0.035) 8.692 2.735 ( -0.590 4.498 1.712) 4.848 2.990 ( -4.956 8.017 0.521) 9.440 3.005 ( -1.447 5.804 -0.490) 6.001 3.390 ( -1.439 -3.487 -1.162) 3.947 3.439 ( 1.074 -3.857 0.316) 4.016 3.882 ( 1.047 11.666 -0.825) 11.742 3.980 ( -10.667 -0.718 -0.172) 10.692 4.368 ( -7.066 3.619 -0.098) 7.939 4.671 ( 1.248 -1.949 0.860) 2.469 4.726 ( 3.561 2.236 0.196) 4.209 4.861 ( 7.678 -0.655 -0.741) 7.742 5.075 ( 8.550 -0.645 1.669) 8.736 5.275 ( 3.353 8.249 3.850) 9.701 5.389 ( 6.415 3.322 -3.913) 8.215 5.678 ( -0.078 10.964 1.370) 11.050 5.860 ( -1.720 -2.052 -0.677) 2.762 5.919 ( 1.948 3.719 -2.039) 4.667 6.096 ( -1.504 6.738 2.048) 7.202 6.212 ( -1.730 1.135 -1.113) 2.349 6.300 ( 2.988 6.442 0.450) 7.115 6.391 ( 3.663 4.503 -1.111) 5.911 6.481 ( 3.118 1.867 1.535) 3.945 6.518 ( -2.433 2.797 2.536) 4.491 6.642 ( -6.914 -3.401 -5.651) 9.555 6.783 ( -1.135 -0.485 1.138) 1.679 6.863 ( 3.286 0.682 2.607) 4.250 6.960 ( -0.443 2.516 -6.091) 6.605 7.027 ( 0.275 -1.597 0.167) 1.629 7.083 ( -3.537 3.924 -1.983) 5.643 7.147 ( -2.707 1.443 4.674) 5.591 7.249 ( -2.897 1.634 -1.965) 3.863 7.336 ( -1.873 3.277 -1.775) 4.171 7.460 ( 0.671 3.903 -1.845) 4.369 7.498 ( 1.986 2.865 7.264) 8.057 7.578 ( 0.129 5.621 0.745) 5.671 7.646 ( -0.320 6.496 -3.004) 7.164 7.696 ( 4.210 5.645 -3.238) 7.751 7.742 ( 0.952 5.434 4.423) 7.071 7.862 ( -2.994 0.450 -1.452) 3.358 7.997 ( -1.249 3.175 -0.876) 3.523 8.087 ( -2.796 -0.741 0.105) 2.894 8.223 ( -3.755 0.668 -1.457) 4.082 8.242 ( -0.199 -0.872 -1.409) 1.669 8.343 ( 3.918 -2.033 0.501) 4.443 8.444 ( -1.312 -1.012 0.998) 1.935 8.514 ( -0.093 -3.193 -0.323) 3.211 8.596 ( -1.218 -1.703 -5.548) 5.930 8.753 ( -2.807 -1.356 11.882) 12.284 8.764 ( -5.047 -3.292 -2.313) 6.454 9.052 ( -0.155 -1.638 -1.375) 2.144 9.180 ( 1.766 -3.153 0.519) 3.651 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 2.839 12.535 -1.461) 12.936 0.788 ( 2.798 13.527 0.013) 13.813 0.897 ( -1.209 6.468 0.308) 6.587 0.996 ( -1.317 8.045 -1.960) 8.385 1.102 ( -0.660 4.895 2.366) 5.477 1.191 ( 0.131 6.261 1.736) 6.499 1.260 ( 1.010 3.200 2.058) 3.937 1.354 ( -2.984 4.441 -7.372) 9.108 1.446 ( 2.986 6.607 2.633) 7.714 1.475 ( -0.063 2.232 -1.909) 2.937 1.607 ( -1.121 9.852 1.272) 9.997 1.704 ( -0.485 1.421 -1.167) 1.902 1.720 ( -4.890 3.135 -1.343) 5.962 1.860 ( 0.199 0.795 0.415) 0.919 1.908 ( -0.992 0.838 0.655) 1.454 1.956 ( -1.318 8.760 1.264) 8.948 1.975 ( 3.492 9.302 6.902) 12.098 1.985 ( 0.080 4.356 -0.202) 4.362 2.050 ( 0.802 12.742 1.031) 12.809 2.094 ( -0.339 6.517 -2.613) 7.029 2.229 ( -0.719 12.143 -0.725) 12.186 2.297 ( 1.937 5.340 -0.453) 5.698 2.347 ( 3.528 11.892 -2.011) 12.566 2.552 ( 6.239 10.283 -1.624) 12.137 2.613 ( 1.157 4.569 -0.050) 4.714 2.651 ( 1.783 8.162 1.538) 8.495 2.700 ( 0.184 5.286 -2.193) 5.725 2.783 ( 3.645 6.662 1.523) 7.745 2.868 ( -7.292 13.271 -0.534) 15.152 2.970 ( -2.887 7.290 0.735) 7.876 3.346 ( -2.143 -2.797 -0.248) 3.532 3.466 ( 1.402 -0.617 -0.075) 1.533 3.766 ( -10.450 5.580 -0.475) 11.856 3.911 ( 1.583 22.600 -0.008) 22.656 4.268 ( -3.383 -2.331 0.136) 4.111 4.726 ( 1.730 0.403 2.843) 3.352 4.749 ( 1.543 1.518 -2.758) 3.506 4.994 ( 5.756 -5.460 -0.243) 7.938 5.252 ( 6.415 0.964 0.405) 6.500 5.347 ( 3.475 0.993 4.388) 5.685 5.508 ( 7.684 4.469 -1.485) 9.012 5.700 ( 1.058 7.532 -1.075) 7.682 5.799 ( -0.912 -1.362 1.077) 1.961 5.960 ( 0.560 1.329 -1.540) 2.110 6.048 ( -4.559 8.410 1.384) 9.666 6.170 ( 0.159 2.926 -2.552) 3.886 6.353 ( -2.261 0.463 -4.874) 5.393 6.463 ( 5.683 5.112 4.406) 8.823 6.487 ( -3.994 -3.392 0.363) 5.252 6.511 ( -0.653 1.242 -1.828) 2.304 6.588 ( 6.776 7.819 2.074) 10.552 6.731 ( -4.870 -2.505 0.885) 5.547 6.893 ( -1.019 2.227 -1.187) 2.721 6.951 ( -2.179 7.313 3.690) 8.476 7.006 ( 0.539 -3.511 -2.361) 4.265 7.037 ( 1.405 0.827 -1.344) 2.113 7.131 ( -1.735 -2.632 2.422) 3.975 7.195 ( -1.540 0.706 -1.943) 2.578 7.298 ( -2.697 3.991 0.009) 4.817 7.412 ( -3.013 3.326 -4.914) 6.655 7.540 ( 0.921 3.675 2.938) 4.794 7.595 ( 0.918 4.707 0.375) 4.810 7.650 ( 1.307 6.400 0.022) 6.533 7.728 ( 0.486 6.756 -0.724) 6.812 7.822 ( -0.833 5.429 -1.029) 5.588 7.828 ( 5.131 3.895 3.264) 7.222 7.926 ( -3.432 4.523 -1.469) 5.865 8.039 ( -4.228 2.361 -2.311) 5.365 8.137 ( -3.261 1.419 0.691) 3.623 8.237 ( -0.168 0.539 -0.212) 0.604 8.369 ( -0.498 -1.646 -0.236) 1.736 8.448 ( 1.163 -1.648 0.046) 2.018 8.527 ( 1.584 -4.484 0.011) 4.756 8.583 ( 0.592 -1.619 -2.111) 2.726 8.650 ( -4.832 -3.407 -1.756) 6.168 8.751 ( -2.172 -2.586 7.599) 8.315 9.040 ( -0.172 -2.231 -1.479) 2.682 9.215 ( 1.495 -2.980 0.325) 3.350 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 12.281 0.000) 12.281 0.863 ( 0.000 8.708 0.000) 8.708 0.890 ( 0.000 8.086 0.000) 8.086 0.912 ( -0.000 3.145 -0.000) 3.145 1.083 ( 0.000 1.927 0.000) 1.927 1.263 ( -0.000 6.002 -0.000) 6.002 1.274 ( 0.000 2.321 0.000) 2.321 1.295 ( 0.000 5.371 -0.000) 5.371 1.448 ( 0.000 9.450 -0.000) 9.450 1.476 ( 0.000 1.617 0.000) 1.617 1.623 ( 0.000 2.691 0.000) 2.691 1.624 ( -0.000 6.575 -0.000) 6.575 1.701 ( 0.000 9.869 -0.000) 9.869 1.855 ( 0.000 -1.491 0.000) 1.491 1.921 ( 0.000 0.760 -0.000) 0.760 1.958 ( 0.000 11.697 0.000) 11.697 1.975 ( 0.000 6.713 -0.000) 6.713 2.006 ( 0.000 1.573 0.000) 1.573 2.066 ( 0.000 7.830 0.000) 7.830 2.068 ( 0.000 11.126 -0.000) 11.126 2.212 ( 0.000 10.729 0.000) 10.729 2.315 ( 0.000 2.028 -0.000) 2.028 2.420 ( 0.000 11.244 0.000) 11.244 2.631 ( 0.000 2.476 -0.000) 2.476 2.653 ( -0.000 10.623 0.000) 10.623 2.662 ( 0.000 4.428 -0.000) 4.428 2.695 ( 0.000 7.412 0.000) 7.412 2.740 ( 0.000 15.722 -0.000) 15.722 2.866 ( 0.000 6.644 -0.000) 6.644 2.910 ( 0.000 14.568 -0.000) 14.568 3.325 ( 0.000 -1.644 -0.000) 1.644 3.481 ( 0.000 0.600 -0.000) 0.600 3.656 ( 0.000 7.677 -0.000) 7.677 3.926 ( 0.000 29.673 -0.000) 29.673 4.240 ( 0.000 -7.756 -0.000) 7.756 4.732 ( 0.000 3.098 0.000) 3.098 4.776 ( 0.000 -0.956 -0.000) 0.956 5.052 ( 0.000 -6.850 -0.000) 6.850 5.290 ( 0.000 6.053 0.000) 6.053 5.396 ( 0.000 -1.850 0.000) 1.850 5.599 ( 0.000 2.520 0.000) 2.520 5.749 ( -0.000 -8.036 0.000) 8.036 5.813 ( 0.000 9.489 -0.000) 9.489 5.890 ( 0.000 -3.793 -0.000) 3.793 6.014 ( 0.000 13.250 -0.000) 13.250 6.207 ( 0.000 4.950 -0.000) 4.950 6.255 ( 0.000 1.888 -0.000) 1.888 6.456 ( 0.000 -3.690 -0.000) 3.690 6.513 ( 0.000 2.595 0.000) 2.595 6.554 ( 0.000 5.620 -0.000) 5.620 6.654 ( 0.000 -1.711 0.000) 1.711 6.684 ( 0.000 4.491 -0.000) 4.491 6.872 ( 0.000 1.122 -0.000) 1.122 6.910 ( 0.000 1.266 -0.000) 1.266 7.052 ( 0.000 -1.389 -0.000) 1.389 7.061 ( -0.000 1.801 0.000) 1.801 7.095 ( 0.000 1.375 0.000) 1.375 7.180 ( 0.000 -1.795 -0.000) 1.795 7.250 ( 0.000 3.348 0.000) 3.348 7.375 ( 0.000 3.361 -0.000) 3.361 7.555 ( 0.000 3.899 0.000) 3.899 7.604 ( 0.000 4.618 -0.000) 4.618 7.669 ( 0.000 6.975 0.000) 6.975 7.730 ( 0.000 5.723 -0.000) 5.723 7.812 ( 0.000 9.324 0.000) 9.324 7.890 ( 0.000 2.568 0.000) 2.568 7.897 ( 0.000 5.956 -0.000) 5.956 7.979 ( 0.000 1.531 -0.000) 1.531 8.103 ( 0.000 1.225 -0.000) 1.225 8.236 ( 0.000 1.374 -0.000) 1.374 8.361 ( 0.000 -1.479 0.000) 1.479 8.461 ( 0.000 -0.826 0.000) 0.826 8.566 ( 0.000 -5.404 0.000) 5.404 8.573 ( -0.000 -3.237 0.000) 3.237 8.588 ( 0.000 -1.037 -0.000) 1.037 8.747 ( 0.000 -4.235 0.000) 4.235 9.036 ( 0.000 -2.405 0.000) 2.405 9.231 ( 0.000 -2.902 0.000) 2.902 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 10.068 0.000) 10.068 1.094 ( 0.000 7.565 0.000) 7.565 1.117 ( 0.000 10.668 0.000) 10.668 1.173 ( 0.000 11.397 0.000) 11.397 1.291 ( 0.000 4.445 0.000) 4.445 1.344 ( 0.000 2.854 0.000) 2.854 1.393 ( 0.000 6.952 0.000) 6.952 1.517 ( 0.000 4.709 0.000) 4.709 1.598 ( 0.000 17.727 0.000) 17.727 1.659 ( 0.000 4.213 0.000) 4.213 1.724 ( 0.000 2.480 0.000) 2.480 1.760 ( 0.000 3.587 0.000) 3.587 1.763 ( 0.000 4.185 0.000) 4.185 1.790 ( 0.000 3.316 0.000) 3.316 1.905 ( 0.000 -0.482 0.000) 0.482 2.008 ( 0.000 2.232 0.000) 2.232 2.090 ( 0.000 -0.880 0.000) 0.880 2.109 ( 0.000 -0.724 0.000) 0.724 2.218 ( 0.000 6.324 0.000) 6.324 2.270 ( 0.000 16.494 0.000) 16.494 2.416 ( 0.000 10.981 0.000) 10.981 2.442 ( 0.000 1.087 0.000) 1.087 2.585 ( 0.000 2.452 0.000) 2.452 2.605 ( 0.000 7.974 0.000) 7.974 2.655 ( 0.000 -2.915 0.000) 2.915 2.710 ( 0.000 11.069 0.000) 11.069 2.817 ( 0.000 8.133 0.000) 8.133 2.958 ( 0.000 19.311 0.000) 19.311 3.115 ( 0.000 -0.399 0.000) 0.399 3.221 ( 0.000 9.330 0.000) 9.330 3.365 ( 0.000 3.680 0.000) 3.680 3.397 ( 0.000 5.373 0.000) 5.373 3.895 ( 0.000 -3.860 0.000) 3.860 4.003 ( 0.000 -3.263 0.000) 3.263 4.564 ( 0.000 6.534 0.000) 6.534 4.682 ( 0.000 0.881 0.000) 0.881 4.709 ( 0.000 5.405 0.000) 5.405 4.866 ( 0.000 6.816 0.000) 6.816 5.006 ( 0.000 2.397 0.000) 2.397 5.339 ( 0.000 0.221 0.000) 0.221 5.532 ( 0.000 14.819 0.000) 14.819 5.765 ( 0.000 0.148 0.000) 0.148 5.820 ( 0.000 -4.147 0.000) 4.147 6.089 ( 0.000 14.191 0.000) 14.191 6.229 ( 0.000 -4.862 0.000) 4.862 6.243 ( 0.000 7.137 0.000) 7.137 6.420 ( 0.000 2.573 0.000) 2.573 6.434 ( 0.000 0.875 0.000) 0.875 6.468 ( 0.000 6.154 0.000) 6.154 6.571 ( 0.000 2.243 0.000) 2.243 6.723 ( 0.000 -1.334 0.000) 1.334 6.815 ( 0.000 2.095 0.000) 2.095 6.839 ( 0.000 6.094 0.000) 6.094 6.994 ( 0.000 0.669 0.000) 0.669 7.036 ( 0.000 2.126 0.000) 2.126 7.093 ( 0.000 -1.432 0.000) 1.432 7.272 ( 0.000 -3.048 0.000) 3.048 7.322 ( 0.000 2.916 0.000) 2.916 7.390 ( 0.000 2.577 0.000) 2.577 7.491 ( 0.000 4.750 0.000) 4.750 7.576 ( 0.000 5.083 0.000) 5.083 7.675 ( 0.000 3.462 0.000) 3.462 7.706 ( 0.000 -0.089 0.000) 0.089 7.807 ( 0.000 7.088 0.000) 7.088 7.852 ( 0.000 3.174 0.000) 3.174 7.908 ( 0.000 3.439 0.000) 3.439 8.012 ( 0.000 3.128 0.000) 3.128 8.107 ( 0.000 -2.352 0.000) 2.352 8.182 ( 0.000 -2.087 0.000) 2.087 8.280 ( 0.000 2.794 0.000) 2.794 8.309 ( 0.000 1.938 0.000) 1.938 8.442 ( 0.000 -1.140 0.000) 1.140 8.494 ( 0.000 -0.229 0.000) 0.229 8.582 ( 0.000 -1.735 0.000) 1.735 8.687 ( 0.000 -3.417 0.000) 3.417 8.829 ( 0.000 1.203 0.000) 1.203 9.023 ( 0.000 -0.465 0.000) 0.465 9.094 ( 0.000 -3.650 0.000) 3.650 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.124 10.839 0.542) 10.854 1.063 ( -2.164 8.363 0.024) 8.638 1.113 ( -0.210 11.644 -2.410) 11.893 1.204 ( 1.760 7.849 1.696) 8.221 1.251 ( -4.679 5.360 -0.152) 7.117 1.320 ( -2.126 3.490 0.730) 4.151 1.354 ( -3.319 6.594 -0.095) 7.383 1.500 ( -1.278 5.025 -2.181) 5.625 1.580 ( -1.430 10.350 -0.402) 10.456 1.638 ( -0.240 9.892 -3.762) 10.586 1.707 ( -0.129 1.501 1.051) 1.837 1.746 ( 0.014 5.098 2.244) 5.570 1.788 ( 1.969 3.737 -0.846) 4.307 1.835 ( 3.063 1.690 0.335) 3.514 1.938 ( -1.449 -1.760 3.971) 4.579 2.000 ( 0.020 1.448 -2.060) 2.518 2.036 ( -0.955 2.187 0.567) 2.453 2.178 ( 1.545 0.510 0.822) 1.823 2.229 ( 0.597 4.429 0.334) 4.481 2.280 ( -0.166 12.465 1.261) 12.530 2.401 ( -0.507 10.688 2.359) 10.957 2.444 ( 0.776 5.678 -0.585) 5.761 2.555 ( -0.802 -1.544 -2.014) 2.661 2.568 ( -2.037 8.364 -1.333) 8.711 2.692 ( 2.256 1.776 -2.589) 3.866 2.749 ( 3.034 9.647 0.134) 10.114 2.831 ( 1.403 7.929 1.488) 8.189 2.929 ( -2.574 11.733 0.023) 12.012 3.127 ( 0.872 6.696 0.658) 6.785 3.212 ( 0.143 10.007 -0.599) 10.026 3.381 ( -0.205 7.729 0.119) 7.733 3.413 ( 2.484 2.227 0.336) 3.353 3.929 ( 3.578 -4.473 -0.217) 5.732 3.964 ( -3.690 -0.835 -0.211) 3.789 4.531 ( -2.603 10.240 -0.546) 10.580 4.651 ( 0.552 0.745 -0.662) 1.139 4.769 ( 2.984 2.871 1.570) 4.429 4.907 ( 2.315 4.190 -1.208) 4.937 5.105 ( 9.446 4.267 1.216) 10.436 5.335 ( -0.208 0.383 1.349) 1.418 5.572 ( 3.623 12.062 -1.172) 12.649 5.771 ( -3.895 -4.412 -0.709) 5.928 5.791 ( 1.757 0.676 2.642) 3.244 6.097 ( -0.052 9.663 -3.149) 10.164 6.195 ( -0.744 0.239 0.834) 1.142 6.246 ( -0.245 7.416 0.540) 7.440 6.426 ( 0.634 0.939 -0.895) 1.444 6.460 ( 0.559 1.392 -1.389) 2.044 6.488 ( 2.190 5.453 1.287) 6.016 6.577 ( -1.524 0.330 0.253) 1.580 6.673 ( 0.097 4.619 0.099) 4.621 6.769 ( -4.079 1.415 -0.681) 4.371 6.893 ( 2.894 2.168 1.133) 3.789 6.973 ( -2.097 0.729 -0.184) 2.227 7.032 ( 0.294 1.528 -0.295) 1.584 7.099 ( 0.142 0.050 0.365) 0.395 7.203 ( -5.935 -0.221 -0.749) 5.986 7.295 ( -3.349 2.962 -1.556) 4.734 7.383 ( -1.200 2.606 0.108) 2.871 7.513 ( 1.614 1.783 3.177) 3.984 7.567 ( -1.778 4.099 1.853) 4.837 7.660 ( -1.078 1.628 -0.309) 1.977 7.700 ( 1.049 0.341 -1.929) 2.222 7.823 ( 2.130 6.585 -0.992) 6.992 7.851 ( -0.022 4.262 -0.536) 4.295 7.926 ( 1.897 5.345 0.019) 5.672 8.047 ( 0.844 0.517 -2.661) 2.839 8.099 ( 0.789 2.340 2.579) 3.570 8.200 ( 1.177 -2.622 -0.369) 2.898 8.259 ( -2.235 2.867 -1.282) 3.854 8.322 ( 1.075 0.488 -0.195) 1.197 8.426 ( -1.938 -0.507 2.178) 2.960 8.473 ( -1.100 -0.719 0.109) 1.318 8.557 ( -0.930 -1.657 -3.621) 4.089 8.700 ( -0.826 -2.744 -1.107) 3.072 8.769 ( -4.398 2.623 5.469) 7.493 9.025 ( -0.732 -1.119 -1.975) 2.385 9.115 ( 2.100 -3.163 1.245) 3.996 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 1.292 10.000 -0.385) 10.090 1.027 ( -1.676 8.507 -0.295) 8.675 1.078 ( -3.644 10.687 0.529) 11.304 1.149 ( -4.175 7.701 -3.173) 9.317 1.192 ( -3.183 4.178 1.534) 5.472 1.298 ( 0.632 2.834 0.607) 2.966 1.347 ( 1.256 5.435 1.957) 5.911 1.459 ( -1.574 6.264 -2.740) 7.015 1.549 ( -1.171 4.980 -0.556) 5.146 1.655 ( 2.241 13.086 -1.572) 13.369 1.715 ( 0.936 0.697 -0.082) 1.170 1.784 ( -2.306 6.809 -0.252) 7.194 1.794 ( 2.723 4.819 0.547) 5.562 1.890 ( 1.614 3.406 0.439) 3.794 1.901 ( 0.105 -0.860 -0.354) 0.936 1.970 ( -3.339 0.480 5.183) 6.184 2.035 ( 0.051 2.448 -0.127) 2.452 2.167 ( -4.148 2.328 -1.583) 5.013 2.217 ( 0.036 -0.824 1.313) 1.551 2.282 ( -0.260 8.649 0.684) 8.680 2.375 ( -1.685 10.157 -0.237) 10.299 2.484 ( 1.273 11.878 0.803) 11.973 2.544 ( 0.404 0.763 -1.648) 1.860 2.592 ( 4.971 5.908 -1.043) 7.792 2.719 ( 1.792 -0.146 -0.734) 1.941 2.786 ( 1.244 8.688 -1.414) 8.889 2.872 ( -1.934 3.971 1.607) 4.700 2.873 ( 0.021 7.188 0.273) 7.193 3.157 ( 2.236 14.735 -0.485) 14.911 3.223 ( 0.569 10.561 0.412) 10.585 3.382 ( 0.774 11.828 0.529) 11.865 3.457 ( 1.856 0.517 -0.053) 1.927 3.875 ( -4.835 4.129 -0.860) 6.416 4.013 ( 4.248 -7.415 0.271) 8.550 4.490 ( -1.452 17.783 -0.192) 17.843 4.707 ( 4.633 -0.697 0.072) 4.686 4.795 ( -0.514 1.750 0.349) 1.857 4.920 ( -0.032 -0.616 -0.899) 1.090 5.286 ( 6.985 3.656 0.527) 7.901 5.353 ( 1.863 0.372 2.200) 2.906 5.632 ( 3.599 6.736 0.518) 7.655 5.674 ( -4.856 -2.847 -1.688) 5.877 5.851 ( 1.468 0.382 1.464) 2.108 6.088 ( 1.725 9.112 -2.664) 9.649 6.191 ( -1.486 2.890 0.255) 3.259 6.262 ( 2.190 7.238 3.343) 8.268 6.385 ( -2.618 2.766 -6.625) 7.642 6.441 ( -2.014 1.391 1.097) 2.682 6.549 ( 1.046 2.787 -0.805) 3.084 6.577 ( 4.432 5.271 2.257) 7.247 6.687 ( -2.866 -1.293 -0.403) 3.170 6.725 ( 1.878 5.631 2.117) 6.302 6.900 ( -3.661 -3.474 -0.820) 5.113 6.957 ( 1.576 1.887 1.479) 2.869 7.056 ( -4.261 2.249 0.388) 4.834 7.066 ( 0.856 -0.467 -1.850) 2.091 7.099 ( -1.688 2.070 -0.128) 2.674 7.220 ( -3.426 2.228 -0.632) 4.135 7.359 ( -1.414 2.105 2.890) 3.845 7.480 ( -4.115 3.754 -4.227) 6.993 7.596 ( 2.877 1.717 4.324) 5.470 7.642 ( -0.826 -0.598 0.193) 1.038 7.737 ( 2.507 2.200 -0.621) 3.393 7.835 ( -0.697 3.552 -4.052) 5.434 7.878 ( 3.287 3.985 1.357) 5.341 7.966 ( 1.818 6.186 0.607) 6.477 8.012 ( -2.157 2.193 -1.545) 3.443 8.120 ( -1.683 5.617 -0.490) 5.884 8.181 ( -2.018 2.871 0.339) 3.526 8.230 ( 0.342 -1.064 0.017) 1.118 8.326 ( -0.463 -2.226 0.487) 2.325 8.441 ( 2.514 1.513 0.663) 3.008 8.468 ( 0.185 -0.563 1.413) 1.533 8.528 ( -0.651 -3.185 -2.827) 4.308 8.638 ( -2.627 1.898 -3.437) 4.724 8.744 ( -2.779 1.642 7.059) 7.762 8.994 ( -0.974 -2.390 -2.367) 3.502 9.157 ( 1.622 -2.704 0.853) 3.267 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.000 5.462 0.000) 5.462 0.997 ( 0.000 11.155 0.000) 11.155 1.031 ( 0.000 7.388 -0.000) 7.388 1.100 ( 0.000 7.283 -0.000) 7.283 1.165 ( 0.000 6.904 0.000) 6.904 1.306 ( 0.000 1.894 0.000) 1.894 1.375 ( 0.000 5.024 0.000) 5.024 1.437 ( 0.000 7.212 0.000) 7.212 1.536 ( 0.000 3.876 -0.000) 3.876 1.698 ( -0.000 4.908 0.000) 4.908 1.711 ( 0.000 15.756 -0.000) 15.756 1.731 ( 0.000 3.187 0.000) 3.187 1.833 ( 0.000 1.908 0.000) 1.908 1.889 ( 0.000 7.320 0.000) 7.320 1.915 ( 0.000 -0.023 -0.000) 0.023 1.984 ( 0.000 -0.912 -0.000) 0.912 2.033 ( 0.000 1.843 0.000) 1.843 2.083 ( 0.000 2.484 -0.000) 2.484 2.221 ( 0.000 -4.651 -0.000) 4.651 2.281 ( 0.000 9.191 -0.000) 9.191 2.359 ( 0.000 12.366 -0.000) 12.366 2.498 ( 0.000 13.813 -0.000) 13.813 2.544 ( 0.000 -0.628 0.000) 0.628 2.657 ( 0.000 5.582 0.000) 5.582 2.743 ( 0.000 -0.185 -0.000) 0.185 2.788 ( 0.000 3.694 0.000) 3.694 2.826 ( 0.000 3.679 -0.000) 3.679 2.893 ( 0.000 8.726 0.000) 8.726 3.182 ( 0.000 16.676 -0.000) 16.676 3.228 ( 0.000 9.781 0.000) 9.781 3.400 ( 0.000 14.610 -0.000) 14.610 3.476 ( 0.000 -0.135 -0.000) 0.135 3.817 ( 0.000 6.848 -0.000) 6.848 4.058 ( 0.000 -10.520 -0.000) 10.520 4.477 ( 0.000 22.764 -0.000) 22.764 4.766 ( -0.000 0.189 0.000) 0.189 4.783 ( 0.000 1.847 -0.000) 1.847 4.913 ( 0.000 -5.297 0.000) 5.297 5.330 ( 0.000 0.555 0.000) 0.555 5.397 ( 0.000 2.092 0.000) 2.092 5.614 ( 0.000 -2.176 0.000) 2.176 5.709 ( 0.000 4.995 -0.000) 4.995 5.829 ( 0.000 -0.996 -0.000) 0.996 6.098 ( 0.000 14.152 0.000) 14.152 6.204 ( 0.000 1.346 0.000) 1.346 6.308 ( -0.000 5.784 -0.000) 5.784 6.320 ( 0.000 4.790 0.000) 4.790 6.420 ( 0.000 5.071 0.000) 5.071 6.551 ( 0.000 1.507 0.000) 1.507 6.621 ( 0.000 -1.646 0.000) 1.646 6.699 ( 0.000 6.745 -0.000) 6.745 6.748 ( 0.000 3.566 0.000) 3.566 6.826 ( 0.000 -3.526 -0.000) 3.526 6.968 ( 0.000 3.535 -0.000) 3.535 7.001 ( 0.000 -3.459 0.000) 3.459 7.057 ( 0.000 -1.782 0.000) 1.782 7.145 ( 0.000 0.498 0.000) 0.498 7.166 ( 0.000 4.766 -0.000) 4.766 7.359 ( 0.000 4.997 0.000) 4.997 7.413 ( 0.000 1.357 -0.000) 1.357 7.634 ( -0.000 -1.725 0.000) 1.725 7.642 ( 0.000 3.923 -0.000) 3.923 7.770 ( 0.000 2.976 -0.000) 2.976 7.800 ( 0.000 0.908 0.000) 0.908 7.931 ( 0.000 2.682 0.000) 2.682 7.974 ( 0.000 2.260 0.000) 2.260 7.988 ( 0.000 6.534 -0.000) 6.534 8.083 ( 0.000 8.173 -0.000) 8.173 8.169 ( 0.000 4.326 0.000) 4.326 8.236 ( 0.000 -1.287 -0.000) 1.287 8.321 ( 0.000 -2.260 0.000) 2.260 8.466 ( 0.000 -0.199 0.000) 0.199 8.480 ( 0.000 -1.887 -0.000) 1.887 8.525 ( 0.000 -0.151 0.000) 0.151 8.602 ( 0.000 2.812 -0.000) 2.812 8.725 ( 0.000 1.706 0.000) 1.706 8.980 ( 0.000 -3.073 0.000) 3.073 9.175 ( 0.000 -2.621 0.000) 2.621 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 10.114 0.000) 10.114 1.219 ( 0.000 4.742 0.000) 4.742 1.248 ( 0.000 2.605 0.000) 2.605 1.339 ( 0.000 6.240 0.000) 6.240 1.363 ( 0.000 1.942 0.000) 1.942 1.376 ( 0.000 1.495 0.000) 1.495 1.497 ( 0.000 2.105 0.000) 2.105 1.649 ( 0.000 8.989 0.000) 8.989 1.723 ( 0.000 1.378 0.000) 1.378 1.754 ( 0.000 2.260 0.000) 2.260 1.810 ( 0.000 1.041 0.000) 1.041 1.831 ( 0.000 6.765 0.000) 6.765 1.867 ( 0.000 3.278 0.000) 3.278 1.927 ( 0.000 3.827 0.000) 3.827 1.958 ( 0.000 11.173 0.000) 11.173 2.038 ( 0.000 0.906 0.000) 0.906 2.057 ( 0.000 -1.488 0.000) 1.488 2.086 ( 0.000 0.685 0.000) 0.685 2.246 ( 0.000 -2.963 0.000) 2.963 2.330 ( 0.000 -7.589 0.000) 7.589 2.455 ( 0.000 0.929 0.000) 0.929 2.460 ( 0.000 -7.196 0.000) 7.196 2.628 ( 0.000 0.495 0.000) 0.495 2.687 ( 0.000 9.032 0.000) 9.032 2.797 ( 0.000 -4.752 0.000) 4.752 2.841 ( 0.000 12.592 0.000) 12.592 2.983 ( 0.000 3.825 0.000) 3.825 3.055 ( 0.000 4.766 0.000) 4.766 3.289 ( 0.000 12.251 0.000) 12.251 3.412 ( 0.000 8.848 0.000) 8.848 3.518 ( 0.000 10.051 0.000) 10.051 3.630 ( 0.000 13.882 0.000) 13.882 3.789 ( 0.000 -5.457 0.000) 5.457 3.981 ( 0.000 1.614 0.000) 1.614 4.699 ( 0.000 6.513 0.000) 6.513 4.749 ( 0.000 6.357 0.000) 6.357 4.839 ( 0.000 6.552 0.000) 6.552 4.998 ( 0.000 5.834 0.000) 5.834 5.118 ( 0.000 9.572 0.000) 9.572 5.349 ( 0.000 0.926 0.000) 0.926 5.736 ( 0.000 -1.828 0.000) 1.828 5.774 ( 0.000 1.398 0.000) 1.398 5.785 ( 0.000 7.685 0.000) 7.685 6.139 ( 0.000 -3.781 0.000) 3.781 6.273 ( 0.000 -2.546 0.000) 2.546 6.351 ( 0.000 8.109 0.000) 8.109 6.400 ( 0.000 -2.812 0.000) 2.812 6.450 ( 0.000 1.934 0.000) 1.934 6.561 ( 0.000 2.606 0.000) 2.606 6.658 ( 0.000 6.496 0.000) 6.496 6.711 ( 0.000 1.613 0.000) 1.613 6.879 ( 0.000 2.163 0.000) 2.163 7.004 ( 0.000 9.074 0.000) 9.074 7.030 ( 0.000 3.535 0.000) 3.535 7.073 ( 0.000 1.283 0.000) 1.283 7.084 ( 0.000 0.510 0.000) 0.510 7.196 ( 0.000 -3.675 0.000) 3.675 7.300 ( 0.000 -2.063 0.000) 2.063 7.481 ( 0.000 3.649 0.000) 3.649 7.558 ( 0.000 1.411 0.000) 1.411 7.620 ( 0.000 -0.743 0.000) 0.743 7.710 ( 0.000 0.309 0.000) 0.309 7.717 ( 0.000 1.979 0.000) 1.979 7.896 ( 0.000 2.630 0.000) 2.630 7.914 ( 0.000 3.614 0.000) 3.614 7.980 ( 0.000 2.111 0.000) 2.111 8.084 ( 0.000 3.542 0.000) 3.542 8.099 ( 0.000 0.892 0.000) 0.892 8.141 ( 0.000 -1.076 0.000) 1.076 8.312 ( 0.000 1.928 0.000) 1.928 8.397 ( 0.000 4.954 0.000) 4.954 8.417 ( 0.000 -1.294 0.000) 1.294 8.489 ( 0.000 -0.714 0.000) 0.714 8.600 ( 0.000 3.228 0.000) 3.228 8.618 ( 0.000 -2.694 0.000) 2.694 8.870 ( 0.000 2.078 0.000) 2.078 9.029 ( 0.000 0.877 0.000) 0.877 9.030 ( 0.000 -2.248 0.000) 2.248 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.17 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.771 8.963 0.695) 9.023 1.198 ( -1.797 5.282 0.592) 5.611 1.244 ( -0.313 1.727 -0.265) 1.775 1.322 ( -1.388 4.046 -2.226) 4.822 1.349 ( -1.835 4.128 0.780) 4.584 1.367 ( -1.496 3.000 0.208) 3.359 1.472 ( -2.426 4.565 0.332) 5.180 1.627 ( -1.620 7.131 0.001) 7.312 1.700 ( -3.137 1.622 -2.587) 4.378 1.717 ( -0.822 3.467 -2.055) 4.114 1.829 ( 0.722 -0.132 4.807) 4.863 1.843 ( 1.744 7.050 1.031) 7.336 1.896 ( -0.598 1.293 0.774) 1.621 1.901 ( 2.199 4.526 -0.393) 5.047 1.943 ( -3.655 7.758 -2.842) 9.034 2.046 ( 4.173 4.430 0.048) 6.087 2.076 ( 2.333 1.812 0.723) 3.041 2.145 ( -0.043 -0.791 0.745) 1.087 2.241 ( -1.356 -2.616 0.819) 3.058 2.335 ( 2.176 -6.339 0.669) 6.736 2.407 ( -2.762 -3.545 -4.219) 6.164 2.483 ( 1.956 -3.797 3.387) 5.451 2.657 ( 0.426 6.862 -1.498) 7.037 2.693 ( 2.750 4.159 -0.117) 4.988 2.774 ( -0.693 3.279 0.208) 3.358 2.883 ( 1.911 5.161 -0.314) 5.513 2.976 ( -0.466 4.152 0.175) 4.182 3.040 ( -2.266 7.003 0.241) 7.364 3.284 ( -0.051 7.494 1.008) 7.561 3.402 ( -0.104 8.278 -0.754) 8.313 3.509 ( -0.984 7.407 0.392) 7.482 3.675 ( 3.707 16.109 -0.081) 16.530 3.805 ( 1.391 -6.242 0.081) 6.396 3.960 ( -1.631 1.347 -0.240) 2.129 4.691 ( -0.654 4.608 -0.131) 4.656 4.736 ( 1.006 8.685 -0.804) 8.780 4.843 ( -0.344 4.067 0.246) 4.089 5.000 ( -0.244 4.997 -0.149) 5.006 5.252 ( 10.870 10.048 0.596) 14.814 5.348 ( 0.077 1.242 0.774) 1.465 5.690 ( -4.596 -3.708 0.155) 5.908 5.782 ( 0.551 6.584 -0.083) 6.608 5.810 ( 2.945 4.178 1.668) 5.377 6.089 ( -2.367 -3.562 -2.401) 4.905 6.302 ( 2.009 -2.578 -0.877) 3.384 6.375 ( 1.427 9.015 3.514) 9.781 6.432 ( 2.684 1.707 -1.003) 3.335 6.467 ( -1.603 0.780 -3.062) 3.543 6.553 ( 3.916 1.152 0.450) 4.107 6.648 ( -0.672 4.802 -0.204) 4.853 6.721 ( 0.402 3.478 0.075) 3.502 6.853 ( -2.641 3.321 0.434) 4.266 6.939 ( -3.883 3.259 -3.173) 5.980 7.035 ( -2.332 3.165 1.904) 4.368 7.079 ( 1.513 5.096 0.985) 5.407 7.108 ( 1.189 0.124 1.003) 1.560 7.160 ( -3.437 -2.418 0.767) 4.271 7.315 ( 0.056 -0.260 -0.117) 0.291 7.447 ( -3.733 2.338 0.968) 4.510 7.548 ( 0.456 1.234 -0.487) 1.403 7.618 ( -0.984 -0.022 0.460) 1.086 7.658 ( -4.945 0.922 -0.103) 5.031 7.716 ( 1.085 0.211 0.166) 1.117 7.897 ( 0.306 1.427 -0.812) 1.670 7.930 ( 1.454 3.354 -0.992) 3.788 8.015 ( 1.026 -0.840 0.282) 1.356 8.031 ( -0.545 3.115 -3.572) 4.771 8.142 ( 1.220 -1.330 2.221) 2.862 8.185 ( 4.025 3.744 1.277) 5.643 8.307 ( -0.429 2.201 -0.878) 2.409 8.358 ( -3.669 1.946 -1.029) 4.279 8.448 ( 1.833 2.910 2.768) 4.415 8.466 ( -0.831 -1.330 -0.800) 1.761 8.550 ( -2.185 1.603 -1.116) 2.931 8.675 ( 2.785 0.595 -0.727) 2.940 8.835 ( -3.066 3.300 2.223) 5.023 9.001 ( -1.825 -1.321 -2.843) 3.627 9.069 ( 2.238 -1.147 2.217) 3.353 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -1.805 6.884 0.569) 7.139 1.170 ( -1.707 4.625 -0.276) 4.937 1.220 ( -2.260 4.772 0.107) 5.282 1.268 ( -3.732 3.937 -0.138) 5.427 1.313 ( -1.463 7.245 -2.247) 7.725 1.333 ( -0.524 2.406 0.305) 2.481 1.452 ( 0.429 5.027 0.625) 5.084 1.602 ( -1.305 4.811 0.066) 4.986 1.638 ( -1.848 6.367 -1.491) 6.795 1.715 ( 0.315 -0.670 -0.314) 0.804 1.824 ( -1.610 1.768 1.179) 2.666 1.885 ( 1.249 1.198 0.695) 1.865 1.908 ( 1.676 3.253 0.650) 3.717 1.914 ( 0.898 6.660 0.614) 6.748 1.959 ( 3.041 3.389 1.105) 4.685 2.071 ( -2.370 11.121 0.415) 11.378 2.091 ( -0.071 1.705 0.008) 1.707 2.128 ( -0.513 -3.260 -2.109) 3.916 2.197 ( -3.281 -0.013 1.526) 3.619 2.358 ( 0.177 -1.162 -3.408) 3.605 2.415 ( 4.486 -6.561 0.159) 7.950 2.564 ( 4.107 -0.520 2.861) 5.032 2.631 ( -0.804 6.680 -0.597) 6.754 2.757 ( 0.335 3.318 0.516) 3.375 2.779 ( 2.374 7.970 0.824) 8.357 2.859 ( -2.688 3.258 -2.638) 4.980 2.979 ( -1.697 6.155 -0.501) 6.404 3.005 ( 0.922 5.444 1.228) 5.656 3.298 ( 0.691 2.378 0.583) 2.544 3.405 ( 0.376 6.637 -0.386) 6.659 3.493 ( -0.760 3.084 0.356) 3.197 3.740 ( 3.376 17.242 -0.210) 17.571 3.825 ( 0.346 -7.063 0.141) 7.073 3.935 ( -0.966 1.021 -0.300) 1.437 4.704 ( 2.207 2.844 -0.470) 3.630 4.780 ( 3.440 9.158 0.217) 9.785 4.819 ( -2.263 1.231 0.031) 2.577 4.969 ( -3.045 4.262 -0.374) 5.251 5.349 ( 0.603 2.010 0.365) 2.130 5.430 ( 5.185 7.492 1.263) 9.198 5.615 ( -2.040 -1.238 -0.053) 2.387 5.791 ( 1.277 6.708 -1.329) 6.956 5.882 ( 2.254 4.147 1.942) 5.104 6.094 ( 3.092 -3.243 -0.421) 4.501 6.298 ( -1.603 2.283 -1.990) 3.427 6.390 ( 1.837 2.509 -2.360) 3.904 6.426 ( -0.121 5.477 2.371) 5.969 6.520 ( 4.464 5.530 0.011) 7.107 6.625 ( -0.130 4.218 -0.629) 4.266 6.673 ( -2.163 1.508 -1.264) 2.924 6.692 ( 4.292 4.640 0.769) 6.368 6.823 ( -0.595 2.923 1.432) 3.309 6.857 ( -3.833 0.965 -0.380) 3.971 6.977 ( -4.557 -0.875 2.489) 5.266 7.069 ( -2.598 0.348 -1.538) 3.039 7.105 ( -1.942 4.720 -1.829) 5.421 7.151 ( 2.521 2.092 0.893) 3.395 7.276 ( -2.842 3.107 0.990) 4.325 7.388 ( -2.128 0.631 2.045) 3.019 7.541 ( -6.329 1.415 -1.549) 6.667 7.577 ( 0.980 -3.036 -3.444) 4.695 7.624 ( 1.774 0.187 6.129) 6.384 7.758 ( 2.699 -0.124 0.201) 2.709 7.860 ( -2.873 -0.633 -6.075) 6.750 7.961 ( 2.064 3.630 -0.756) 4.244 8.018 ( 1.184 -1.351 0.492) 1.862 8.032 ( -1.062 1.397 0.946) 1.994 8.174 ( 1.408 -0.736 1.245) 2.018 8.248 ( 1.462 5.279 0.030) 5.478 8.279 ( -2.418 4.981 -0.000) 5.537 8.302 ( -0.485 0.210 0.067) 0.533 8.440 ( -1.483 -3.016 -0.734) 3.440 8.499 ( 1.159 3.449 1.862) 4.087 8.542 ( 2.542 4.501 -1.149) 5.295 8.695 ( 0.429 3.460 -2.960) 4.574 8.800 ( -2.405 3.476 5.450) 6.897 8.947 ( -2.068 -2.131 -3.404) 4.517 9.111 ( 1.371 -1.958 1.320) 2.731 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 6.416 -0.000) 6.416 1.144 ( 0.000 3.749 -0.000) 3.749 1.204 ( 0.000 8.340 0.000) 8.340 1.213 ( 0.000 5.328 -0.000) 5.328 1.303 ( 0.000 6.104 -0.000) 6.104 1.331 ( 0.000 1.503 0.000) 1.503 1.465 ( 0.000 4.249 0.000) 4.249 1.585 ( 0.000 3.474 0.000) 3.474 1.619 ( 0.000 8.431 -0.000) 8.431 1.718 ( 0.000 -2.574 -0.000) 2.574 1.813 ( 0.000 5.887 -0.000) 5.887 1.897 ( 0.000 -3.183 -0.000) 3.183 1.914 ( 0.000 2.602 0.000) 2.602 1.950 ( -0.000 5.287 0.000) 5.287 1.988 ( 0.000 0.535 0.000) 0.535 2.040 ( 0.000 14.597 -0.000) 14.597 2.103 ( 0.000 -2.385 0.000) 2.385 2.110 ( 0.000 1.095 -0.000) 1.095 2.150 ( 0.000 3.871 -0.000) 3.871 2.360 ( 0.000 -0.469 -0.000) 0.469 2.469 ( 0.000 -5.597 -0.000) 5.597 2.577 ( 0.000 8.960 0.000) 8.960 2.685 ( 0.000 -4.422 -0.000) 4.422 2.713 ( 0.000 4.437 0.000) 4.437 2.819 ( -0.000 8.915 -0.000) 8.915 2.825 ( 0.000 6.240 0.000) 6.240 2.951 ( 0.000 5.390 -0.000) 5.390 3.027 ( 0.000 4.830 0.000) 4.830 3.306 ( 0.000 1.316 -0.000) 1.316 3.407 ( 0.000 4.524 -0.000) 4.524 3.487 ( 0.000 1.263 -0.000) 1.263 3.783 ( 0.000 18.613 -0.000) 18.613 3.820 ( 0.000 -8.759 0.000) 8.759 3.923 ( 0.000 1.134 -0.000) 1.134 4.747 ( -0.000 3.144 0.000) 3.144 4.775 ( 0.000 -0.693 -0.000) 0.693 4.833 ( 0.000 8.425 -0.000) 8.425 4.917 ( 0.000 3.846 0.000) 3.846 5.355 ( 0.000 2.105 0.000) 2.105 5.463 ( 0.000 3.638 0.000) 3.638 5.613 ( 0.000 2.833 0.000) 2.833 5.843 ( 0.000 1.869 0.000) 1.869 5.860 ( -0.000 10.015 -0.000) 10.015 6.134 ( 0.000 -4.343 0.000) 4.343 6.282 ( 0.000 3.812 -0.000) 3.812 6.424 ( 0.000 4.248 -0.000) 4.248 6.446 ( -0.000 6.501 0.000) 6.501 6.571 ( 0.000 7.928 0.000) 7.928 6.582 ( 0.000 2.092 -0.000) 2.092 6.619 ( 0.000 2.802 0.000) 2.802 6.778 ( 0.000 -0.802 0.000) 0.802 6.810 ( -0.000 4.845 -0.000) 4.845 6.838 ( 0.000 3.971 -0.000) 3.971 6.931 ( 0.000 -2.851 -0.000) 2.851 7.032 ( 0.000 1.599 0.000) 1.599 7.052 ( 0.000 1.806 -0.000) 1.806 7.188 ( 0.000 3.797 -0.000) 3.797 7.256 ( 0.000 3.927 -0.000) 3.927 7.403 ( 0.000 -1.095 0.000) 1.095 7.440 ( 0.000 1.115 -0.000) 1.115 7.570 ( 0.000 -3.176 -0.000) 3.176 7.688 ( 0.000 0.442 0.000) 0.442 7.789 ( -0.000 -1.075 -0.000) 1.075 7.791 ( 0.000 -0.700 0.000) 0.700 7.980 ( 0.000 2.702 -0.000) 2.702 8.016 ( 0.000 1.732 0.000) 1.732 8.040 ( 0.000 -1.351 -0.000) 1.351 8.194 ( 0.000 -0.085 -0.000) 0.085 8.251 ( 0.000 5.843 -0.000) 5.843 8.252 ( -0.000 3.376 0.000) 3.376 8.308 ( 0.000 2.123 -0.000) 2.123 8.421 ( 0.000 -3.018 0.000) 3.018 8.511 ( 0.000 4.160 -0.000) 4.160 8.580 ( 0.000 3.945 0.000) 3.945 8.689 ( 0.000 5.117 -0.000) 5.117 8.786 ( 0.000 3.833 0.000) 3.833 8.919 ( 0.000 -3.011 0.000) 3.011 9.127 ( 0.000 -2.257 0.000) 2.257 ======================= Grid point 35 (21/70) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 -1.063 0.000) 1.063 1.270 ( 0.000 0.052 0.000) 0.052 1.317 ( 0.000 6.853 0.000) 6.853 1.364 ( 0.000 0.335 0.000) 0.335 1.431 ( 0.000 2.698 0.000) 2.698 1.442 ( 0.000 4.158 0.000) 4.158 1.509 ( 0.000 -0.354 0.000) 0.354 1.692 ( 0.000 -3.662 0.000) 3.662 1.785 ( 0.000 2.196 0.000) 2.196 1.812 ( 0.000 4.516 0.000) 4.516 1.832 ( 0.000 1.175 0.000) 1.175 1.921 ( 0.000 1.119 0.000) 1.119 1.924 ( 0.000 -2.415 0.000) 2.415 1.967 ( 0.000 4.527 0.000) 4.527 2.050 ( 0.000 3.836 0.000) 3.836 2.052 ( 0.000 0.022 0.000) 0.022 2.088 ( 0.000 3.936 0.000) 3.936 2.147 ( 0.000 -3.985 0.000) 3.985 2.162 ( 0.000 -7.564 0.000) 7.564 2.234 ( 0.000 8.390 0.000) 8.390 2.315 ( 0.000 -5.684 0.000) 5.684 2.420 ( 0.000 -3.552 0.000) 3.552 2.584 ( 0.000 -12.906 0.000) 12.906 2.599 ( 0.000 -3.243 0.000) 3.243 2.886 ( 0.000 10.504 0.000) 10.504 3.034 ( 0.000 6.857 0.000) 6.857 3.073 ( 0.000 4.910 0.000) 4.910 3.199 ( 0.000 6.785 0.000) 6.785 3.408 ( 0.000 -0.131 0.000) 0.131 3.482 ( 0.000 -2.718 0.000) 2.718 3.704 ( 0.000 7.874 0.000) 7.874 3.759 ( 0.000 3.367 0.000) 3.367 3.886 ( 0.000 11.379 0.000) 11.379 4.062 ( 0.000 5.140 0.000) 5.140 4.820 ( 0.000 5.931 0.000) 5.931 4.919 ( 0.000 9.642 0.000) 9.642 4.937 ( 0.000 3.205 0.000) 3.205 5.110 ( 0.000 5.232 0.000) 5.232 5.348 ( 0.000 12.236 0.000) 12.236 5.381 ( 0.000 2.384 0.000) 2.384 5.671 ( 0.000 -3.264 0.000) 3.264 5.822 ( 0.000 3.130 0.000) 3.130 5.908 ( 0.000 3.696 0.000) 3.696 6.084 ( 0.000 -1.825 0.000) 1.825 6.129 ( 0.000 -9.539 0.000) 9.539 6.293 ( 0.000 -6.879 0.000) 6.879 6.495 ( 0.000 4.995 0.000) 4.995 6.506 ( 0.000 3.499 0.000) 3.499 6.617 ( 0.000 3.117 0.000) 3.117 6.778 ( 0.000 3.945 0.000) 3.945 6.781 ( 0.000 5.459 0.000) 5.459 6.878 ( 0.000 -2.263 0.000) 2.263 7.062 ( 0.000 -1.075 0.000) 1.075 7.068 ( 0.000 0.537 0.000) 0.537 7.128 ( 0.000 2.041 0.000) 2.041 7.182 ( 0.000 3.759 0.000) 3.759 7.194 ( 0.000 8.958 0.000) 8.958 7.281 ( 0.000 0.176 0.000) 0.176 7.483 ( 0.000 -3.618 0.000) 3.618 7.548 ( 0.000 -2.161 0.000) 2.161 7.592 ( 0.000 -1.421 0.000) 1.421 7.695 ( 0.000 -1.851 0.000) 1.851 7.772 ( 0.000 3.464 0.000) 3.464 7.937 ( 0.000 1.181 0.000) 1.181 7.956 ( 0.000 1.032 0.000) 1.032 8.012 ( 0.000 0.480 0.000) 0.480 8.098 ( 0.000 -0.580 0.000) 0.580 8.111 ( 0.000 0.535 0.000) 0.535 8.193 ( 0.000 4.558 0.000) 4.558 8.363 ( 0.000 2.954 0.000) 2.954 8.385 ( 0.000 -2.177 0.000) 2.177 8.471 ( 0.000 -0.716 0.000) 0.716 8.482 ( 0.000 3.556 0.000) 3.556 8.589 ( 0.000 -0.704 0.000) 0.704 8.685 ( 0.000 4.687 0.000) 4.687 8.877 ( 0.000 -1.410 0.000) 1.410 9.025 ( 0.000 1.447 0.000) 1.447 9.051 ( 0.000 1.134 0.000) 1.134 ======================= Grid point 36 (22/70) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -1.511 -0.530 -0.429) 1.658 1.250 ( -2.082 0.843 0.266) 2.262 1.316 ( -0.346 5.995 0.367) 6.017 1.366 ( 0.026 1.794 -1.035) 2.071 1.424 ( -0.801 3.349 0.092) 3.445 1.442 ( -0.234 3.476 -0.092) 3.485 1.523 ( 1.190 0.926 1.592) 2.193 1.684 ( -0.870 -2.532 -0.554) 2.734 1.735 ( -5.099 3.698 -2.880) 6.926 1.782 ( -1.994 1.288 0.057) 2.374 1.814 ( -0.392 0.072 3.009) 3.036 1.931 ( 2.723 2.524 0.431) 3.738 1.957 ( -0.498 3.762 0.082) 3.795 1.991 ( 2.738 4.244 -0.632) 5.090 2.023 ( -1.690 0.705 0.221) 1.844 2.092 ( 1.199 0.810 0.526) 1.540 2.124 ( 2.212 3.031 -0.475) 3.782 2.144 ( 2.614 -8.588 -1.585) 9.116 2.180 ( 0.439 -2.825 1.686) 3.319 2.250 ( 1.819 6.877 -0.593) 7.138 2.322 ( 0.018 -4.628 -1.141) 4.767 2.380 ( 0.300 -4.789 0.864) 4.876 2.636 ( 5.015 -6.465 -0.608) 8.205 2.663 ( 4.631 -7.475 0.979) 8.848 2.876 ( -1.116 10.236 -0.045) 10.297 3.030 ( -0.648 6.859 0.040) 6.890 3.077 ( 0.416 4.901 0.079) 4.919 3.179 ( -2.369 6.150 -0.634) 6.621 3.372 ( -3.598 1.020 1.046) 3.884 3.459 ( -1.560 -3.033 -0.660) 3.474 3.657 ( -4.764 6.328 0.298) 7.926 3.744 ( -1.382 1.256 -0.115) 1.871 3.934 ( 3.873 9.207 0.479) 10.000 4.043 ( -1.665 6.155 -0.265) 6.382 4.786 ( -2.449 4.990 0.059) 5.559 4.909 ( -2.578 3.747 0.757) 4.610 4.915 ( 0.133 7.362 -1.681) 7.553 5.097 ( -1.599 4.246 0.064) 4.537 5.380 ( 0.545 2.734 0.543) 2.840 5.482 ( 10.554 11.324 0.217) 15.482 5.620 ( -4.083 -3.092 -0.475) 5.144 5.850 ( 2.051 3.720 1.735) 4.588 5.935 ( 3.061 4.097 0.043) 5.114 6.037 ( -1.720 -0.484 -1.138) 2.118 6.176 ( 3.917 -8.146 -0.075) 9.039 6.404 ( 9.094 -4.757 0.278) 10.267 6.509 ( -0.713 3.331 -2.075) 3.988 6.522 ( 0.732 5.144 0.888) 5.271 6.592 ( 2.406 2.922 0.546) 3.824 6.756 ( -1.742 5.601 -2.021) 6.204 6.797 ( 0.640 3.534 -0.006) 3.591 6.863 ( -1.806 -2.219 0.616) 2.926 7.011 ( -4.606 2.850 -1.583) 5.643 7.071 ( -2.702 0.324 0.494) 2.766 7.095 ( -0.815 0.274 2.859) 2.985 7.144 ( -2.139 2.719 -0.329) 3.475 7.228 ( 1.110 6.791 -0.611) 6.908 7.312 ( 1.605 0.055 3.248) 3.623 7.452 ( -2.952 -1.646 -1.397) 3.657 7.524 ( -1.172 -3.047 -1.227) 3.487 7.608 ( -0.004 -1.176 1.053) 1.578 7.677 ( -3.104 -1.150 -0.616) 3.367 7.724 ( -2.028 2.726 0.650) 3.459 7.916 ( -2.108 0.590 -1.035) 2.421 7.968 ( 1.554 0.813 -0.356) 1.789 7.982 ( -2.438 -1.800 -0.338) 3.049 8.091 ( 0.150 2.060 -1.255) 2.417 8.132 ( 1.935 0.551 0.381) 2.048 8.251 ( 3.744 2.715 2.428) 5.223 8.357 ( -0.271 2.594 -1.759) 3.146 8.378 ( -0.799 -0.538 0.549) 1.109 8.437 ( -2.789 -0.148 -0.655) 2.868 8.513 ( 2.648 3.122 1.494) 4.358 8.588 ( 0.825 1.228 -0.548) 1.577 8.721 ( 2.954 3.508 -0.578) 4.622 8.869 ( -0.786 -0.293 0.108) 0.846 8.997 ( -2.627 1.335 -1.286) 3.216 9.061 ( 0.508 -0.053 1.698) 1.773 ======================= Grid point 37 (23/70) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.933 -0.153 -1.489) 1.764 1.211 ( -1.901 2.842 1.387) 3.690 1.305 ( -0.690 4.201 -0.364) 4.272 1.354 ( -1.107 4.870 -0.328) 5.005 1.405 ( -1.214 3.325 0.964) 3.669 1.430 ( -0.713 4.648 -1.249) 4.865 1.546 ( 0.587 4.017 0.439) 4.083 1.636 ( -2.802 1.448 -0.817) 3.259 1.671 ( -1.206 -1.915 -0.652) 2.355 1.751 ( -1.120 -0.997 0.089) 1.502 1.844 ( 1.894 2.340 4.041) 5.039 1.917 ( -1.816 5.071 0.088) 5.387 1.979 ( -0.956 1.959 0.106) 2.182 2.017 ( 1.876 2.665 0.953) 3.396 2.045 ( 1.983 3.558 0.253) 4.081 2.060 ( -2.020 -1.618 -2.602) 3.670 2.121 ( -0.792 0.465 -1.867) 2.081 2.190 ( 1.086 -0.489 0.162) 1.202 2.208 ( 1.005 -3.706 0.455) 3.867 2.314 ( 4.232 -0.307 -0.030) 4.244 2.330 ( 3.698 2.891 -2.786) 5.458 2.476 ( 6.661 -5.179 4.365) 9.499 2.703 ( 0.450 -6.471 0.076) 6.487 2.744 ( 1.771 -0.072 -0.662) 1.892 2.873 ( 3.961 5.368 -0.468) 6.688 3.011 ( -1.156 7.941 0.394) 8.034 3.086 ( 0.342 3.989 0.306) 4.016 3.102 ( -5.004 5.383 -1.130) 7.436 3.322 ( -1.811 -0.065 0.993) 2.066 3.414 ( -3.661 -4.663 -1.209) 6.050 3.559 ( -4.712 3.283 0.707) 5.786 3.718 ( -1.162 -1.782 0.010) 2.127 3.977 ( -0.238 4.027 0.034) 4.034 4.037 ( 2.020 9.701 0.143) 9.910 4.766 ( 0.349 3.459 -0.117) 3.479 4.844 ( -3.654 1.308 -0.224) 3.887 4.928 ( 1.444 5.847 -0.325) 6.031 5.047 ( -3.646 2.882 0.137) 4.650 5.398 ( 0.961 2.949 0.377) 3.124 5.542 ( -2.913 1.093 0.072) 3.112 5.659 ( 6.455 7.211 0.515) 9.692 5.887 ( 1.001 3.548 -1.953) 4.172 6.014 ( 4.549 3.529 0.395) 5.771 6.055 ( 3.347 4.286 1.634) 5.678 6.240 ( 2.332 -5.353 0.287) 5.846 6.468 ( 2.434 5.092 -3.944) 6.885 6.542 ( 2.103 4.853 2.032) 5.666 6.606 ( 7.826 1.704 -0.237) 8.013 6.668 ( 0.827 0.700 -0.807) 1.351 6.744 ( 3.426 4.936 2.150) 6.382 6.772 ( -2.830 3.431 -3.077) 5.408 6.825 ( -1.595 -2.081 -0.058) 2.623 6.906 ( -6.111 1.741 2.110) 6.696 6.986 ( -4.547 2.531 0.691) 5.249 7.073 ( -3.773 -0.496 1.574) 4.118 7.143 ( 0.308 0.341 -1.062) 1.157 7.218 ( -0.574 2.671 0.059) 2.733 7.333 ( 0.015 2.528 2.244) 3.380 7.383 ( -3.403 -0.406 -2.151) 4.046 7.485 ( -2.976 -3.634 -0.460) 4.719 7.580 ( -3.276 0.595 -0.148) 3.333 7.631 ( 0.792 0.104 2.608) 2.727 7.739 ( 2.180 -0.838 -0.651) 2.425 7.840 ( -4.027 -0.925 -3.797) 5.611 7.975 ( 0.558 -1.915 2.072) 2.876 8.006 ( 2.297 0.366 -0.391) 2.359 8.071 ( -1.660 2.866 -0.833) 3.416 8.172 ( 1.820 0.398 0.501) 1.930 8.305 ( 0.129 0.912 1.597) 1.843 8.343 ( 0.100 2.671 -2.178) 3.448 8.370 ( 0.065 2.157 0.851) 2.320 8.390 ( -1.678 -0.055 -0.159) 1.686 8.573 ( 2.661 3.483 1.340) 4.583 8.620 ( 2.646 2.811 -0.946) 3.974 8.765 ( 2.056 3.317 -1.684) 4.250 8.854 ( -1.210 0.978 2.719) 3.133 8.930 ( -3.414 1.158 -2.480) 4.376 9.075 ( 0.257 -1.841 1.348) 2.296 ======================= Grid point 38 (24/70) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 -0.058 -0.000) 0.058 1.199 ( 0.000 4.073 0.000) 4.073 1.298 ( 0.000 3.294 -0.000) 3.294 1.334 ( 0.000 7.236 0.000) 7.236 1.395 ( 0.000 2.829 -0.000) 2.829 1.419 ( 0.000 5.472 -0.000) 5.472 1.553 ( 0.000 4.766 0.000) 4.766 1.610 ( 0.000 0.957 0.000) 0.957 1.658 ( 0.000 -2.639 -0.000) 2.639 1.743 ( 0.000 -2.231 -0.000) 2.231 1.876 ( 0.000 8.024 -0.000) 8.024 1.922 ( 0.000 -1.829 0.000) 1.829 1.938 ( 0.000 4.317 -0.000) 4.317 2.026 ( 0.000 -2.877 -0.000) 2.877 2.040 ( 0.000 3.067 -0.000) 3.067 2.062 ( 0.000 4.160 0.000) 4.160 2.121 ( 0.000 0.690 -0.000) 0.690 2.203 ( -0.000 0.331 0.000) 0.331 2.211 ( 0.000 -0.773 -0.000) 0.773 2.340 ( 0.000 -3.480 0.000) 3.480 2.397 ( 0.000 5.033 -0.000) 5.033 2.583 ( 0.000 -5.255 -0.000) 5.255 2.681 ( 0.000 -2.928 0.000) 2.928 2.722 ( 0.000 2.562 -0.000) 2.562 2.981 ( 0.000 6.607 -0.000) 6.607 2.990 ( -0.000 4.850 0.000) 4.850 3.032 ( 0.000 5.608 0.000) 5.608 3.089 ( 0.000 1.828 0.000) 1.828 3.310 ( 0.000 -0.598 0.000) 0.598 3.346 ( 0.000 -7.752 -0.000) 7.752 3.521 ( 0.000 2.085 -0.000) 2.085 3.707 ( 0.000 -2.920 -0.000) 2.920 3.969 ( 0.000 3.748 -0.000) 3.748 4.065 ( 0.000 9.035 -0.000) 9.035 4.785 ( -0.000 1.872 0.000) 1.872 4.794 ( 0.000 1.981 -0.000) 1.981 4.959 ( 0.000 4.091 -0.000) 4.091 4.991 ( 0.000 2.923 -0.000) 2.923 5.409 ( 0.000 3.167 0.000) 3.167 5.513 ( 0.000 1.352 0.000) 1.352 5.724 ( 0.000 7.327 0.000) 7.327 5.880 ( 0.000 1.537 -0.000) 1.537 6.061 ( 0.000 -0.191 -0.000) 0.191 6.113 ( 0.000 12.584 -0.000) 12.584 6.258 ( 0.000 -4.589 0.000) 4.589 6.525 ( 0.000 6.189 -0.000) 6.189 6.569 ( -0.000 6.081 0.000) 6.081 6.634 ( 0.000 2.964 0.000) 2.964 6.702 ( 0.000 4.073 0.000) 4.073 6.704 ( -0.000 5.192 -0.000) 5.192 6.782 ( 0.000 0.386 0.000) 0.386 6.822 ( 0.000 -2.976 0.000) 2.976 6.888 ( 0.000 0.846 -0.000) 0.846 6.952 ( 0.000 4.023 -0.000) 4.023 7.004 ( 0.000 -5.637 0.000) 5.637 7.101 ( 0.000 3.999 0.000) 3.999 7.256 ( 0.000 -1.357 -0.000) 1.357 7.315 ( 0.000 1.798 0.000) 1.798 7.352 ( 0.000 0.509 0.000) 0.509 7.443 ( 0.000 -0.757 -0.000) 0.757 7.547 ( 0.000 0.601 -0.000) 0.601 7.664 ( 0.000 -2.532 0.000) 2.532 7.769 ( 0.000 -0.764 -0.000) 0.764 7.776 ( -0.000 -0.249 -0.000) 0.249 7.987 ( 0.000 -2.556 0.000) 2.556 8.032 ( 0.000 -0.288 0.000) 0.288 8.049 ( 0.000 3.915 -0.000) 3.915 8.192 ( 0.000 0.171 -0.000) 0.171 8.293 ( 0.000 1.451 -0.000) 1.451 8.343 ( 0.000 1.626 0.000) 1.626 8.375 ( 0.000 -0.197 0.000) 0.197 8.379 ( 0.000 3.382 -0.000) 3.382 8.603 ( 0.000 4.347 -0.000) 4.347 8.651 ( 0.000 2.939 0.000) 2.939 8.778 ( 0.000 3.520 -0.000) 3.520 8.866 ( -0.000 4.183 -0.000) 4.183 8.868 ( 0.000 -1.948 0.000) 1.948 9.080 ( 0.000 -2.565 0.000) 2.565 ======================= Grid point 42 (25/70) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 -0.147 0.000) 0.147 1.239 ( 0.000 -2.116 0.000) 2.116 1.390 ( 0.000 1.851 0.000) 1.851 1.413 ( 0.000 1.197 0.000) 1.197 1.474 ( 0.000 1.621 0.000) 1.621 1.480 ( 0.000 0.765 0.000) 0.765 1.528 ( 0.000 2.770 0.000) 2.770 1.608 ( 0.000 -4.583 0.000) 4.583 1.790 ( 0.000 -0.877 0.000) 0.877 1.812 ( 0.000 -2.956 0.000) 2.956 1.852 ( 0.000 1.369 0.000) 1.369 1.881 ( 0.000 -0.974 0.000) 0.974 1.946 ( 0.000 1.650 0.000) 1.650 1.984 ( 0.000 -2.629 0.000) 2.629 2.070 ( 0.000 0.193 0.000) 0.193 2.087 ( 0.000 -0.975 0.000) 0.975 2.137 ( 0.000 1.992 0.000) 1.992 2.137 ( 0.000 6.960 0.000) 6.960 2.151 ( 0.000 1.723 0.000) 1.723 2.263 ( 0.000 0.560 0.000) 0.560 2.336 ( 0.000 -8.834 0.000) 8.834 2.338 ( 0.000 -4.217 0.000) 4.217 2.395 ( 0.000 5.123 0.000) 5.123 2.511 ( 0.000 -5.399 0.000) 5.399 3.097 ( 0.000 10.308 0.000) 10.308 3.124 ( 0.000 2.500 0.000) 2.500 3.139 ( 0.000 1.598 0.000) 1.598 3.298 ( 0.000 -9.072 0.000) 9.072 3.319 ( 0.000 5.409 0.000) 5.409 3.412 ( 0.000 -3.847 0.000) 3.847 3.816 ( 0.000 3.267 0.000) 3.267 3.829 ( 0.000 1.941 0.000) 1.941 4.065 ( 0.000 6.286 0.000) 6.286 4.125 ( 0.000 0.329 0.000) 0.329 4.923 ( 0.000 3.986 0.000) 3.986 4.966 ( 0.000 -0.314 0.000) 0.314 5.095 ( 0.000 7.215 0.000) 7.215 5.171 ( 0.000 0.008 0.000) 0.008 5.444 ( 0.000 3.860 0.000) 3.860 5.506 ( 0.000 -0.047 0.000) 0.047 5.684 ( 0.000 8.005 0.000) 8.005 5.859 ( 0.000 -3.145 0.000) 3.145 5.939 ( 0.000 -0.205 0.000) 0.205 5.945 ( 0.000 -5.414 0.000) 5.414 6.077 ( 0.000 1.599 0.000) 1.599 6.156 ( 0.000 -6.102 0.000) 6.102 6.561 ( 0.000 1.856 0.000) 1.856 6.565 ( 0.000 1.674 0.000) 1.674 6.686 ( 0.000 4.238 0.000) 4.238 6.785 ( 0.000 -5.035 0.000) 5.035 6.853 ( 0.000 1.950 0.000) 1.950 6.859 ( 0.000 1.924 0.000) 1.924 7.048 ( 0.000 0.364 0.000) 0.364 7.070 ( 0.000 -0.984 0.000) 0.984 7.194 ( 0.000 5.172 0.000) 5.172 7.273 ( 0.000 4.289 0.000) 4.289 7.273 ( 0.000 -1.313 0.000) 1.313 7.362 ( 0.000 1.893 0.000) 1.893 7.379 ( 0.000 -0.807 0.000) 0.807 7.483 ( 0.000 -4.262 0.000) 4.262 7.582 ( 0.000 1.004 0.000) 1.004 7.636 ( 0.000 -3.726 0.000) 3.726 7.852 ( 0.000 4.469 0.000) 4.469 7.934 ( 0.000 -2.604 0.000) 2.604 7.967 ( 0.000 0.261 0.000) 0.261 7.977 ( 0.000 -1.627 0.000) 1.627 8.112 ( 0.000 1.178 0.000) 1.178 8.122 ( 0.000 0.211 0.000) 0.211 8.276 ( 0.000 3.559 0.000) 3.559 8.336 ( 0.000 -2.643 0.000) 2.643 8.419 ( 0.000 2.469 0.000) 2.469 8.456 ( 0.000 -1.178 0.000) 1.178 8.539 ( 0.000 2.260 0.000) 2.260 8.573 ( 0.000 -1.148 0.000) 1.148 8.771 ( 0.000 3.802 0.000) 3.802 8.834 ( 0.000 -2.673 0.000) 2.673 9.056 ( 0.000 1.196 0.000) 1.196 9.066 ( 0.000 0.224 0.000) 0.224 ======================= Grid point 43 (26/70) ======================= q-point: ( 0.17 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.582 0.641 -0.176) 0.883 1.239 ( -0.343 -1.775 0.368) 1.845 1.389 ( -0.472 1.677 -0.609) 1.846 1.407 ( -0.567 0.380 0.244) 0.725 1.479 ( 0.862 3.089 -0.868) 3.322 1.503 ( 1.531 2.589 0.864) 3.129 1.540 ( 1.309 1.388 0.452) 1.961 1.618 ( 0.646 -4.265 -0.447) 4.337 1.757 ( -2.946 0.599 -0.278) 3.019 1.799 ( -0.973 -1.515 -0.547) 1.882 1.842 ( -2.207 3.732 1.483) 4.583 1.923 ( 2.455 -5.893 -1.311) 6.518 1.955 ( 3.122 0.554 -0.174) 3.176 2.000 ( 0.617 -2.678 0.687) 2.833 2.047 ( 0.172 2.653 1.059) 2.862 2.066 ( -1.270 0.933 -0.354) 1.615 2.139 ( -0.095 2.513 -0.592) 2.584 2.152 ( 0.236 -0.908 0.012) 0.938 2.188 ( 2.295 1.642 0.158) 2.826 2.242 ( -0.958 -2.718 2.089) 3.559 2.315 ( 3.265 2.758 -2.065) 4.747 2.406 ( 2.107 4.425 -1.909) 5.260 2.458 ( 6.282 -7.169 1.704) 9.683 2.542 ( 3.668 -6.215 0.587) 7.241 3.070 ( -2.456 7.984 -0.229) 8.356 3.132 ( -0.889 0.842 -0.339) 1.270 3.140 ( 1.030 4.808 -0.017) 4.917 3.271 ( -2.287 -1.457 -0.660) 2.791 3.317 ( -1.238 -1.502 0.802) 2.105 3.380 ( -2.940 -3.390 0.024) 4.487 3.752 ( -6.291 3.266 0.111) 7.089 3.780 ( -4.808 0.645 -0.009) 4.851 4.075 ( 0.591 5.219 0.367) 5.265 4.123 ( 0.018 0.833 0.038) 0.834 4.877 ( -3.642 3.857 0.043) 5.305 4.926 ( -3.729 -0.859 -0.141) 3.829 5.067 ( -2.473 6.194 -0.339) 6.678 5.139 ( -3.236 -0.651 -0.147) 3.304 5.446 ( 0.564 3.879 -0.048) 3.920 5.527 ( 0.451 -3.950 -0.253) 3.984 5.730 ( 5.363 10.933 -0.951) 12.215 5.911 ( 3.308 -5.391 -0.132) 6.327 5.932 ( 1.805 3.456 0.675) 3.957 6.020 ( 4.879 -6.196 2.000) 8.136 6.115 ( 5.943 6.843 -0.321) 9.069 6.270 ( 10.440 -8.041 -0.228) 13.180 6.568 ( 0.510 2.364 -2.262) 3.312 6.588 ( 2.979 0.793 0.125) 3.085 6.663 ( -1.191 4.931 0.297) 5.081 6.773 ( -1.501 -5.513 1.266) 5.852 6.848 ( -1.119 2.935 -0.329) 3.158 6.857 ( -0.287 1.695 0.863) 1.923 7.036 ( -2.828 -0.003 0.225) 2.837 7.045 ( -2.003 -1.086 -0.059) 2.280 7.165 ( -2.843 4.901 -0.458) 5.685 7.233 ( -3.373 4.339 0.704) 5.541 7.256 ( -1.644 -1.652 0.510) 2.386 7.366 ( -0.478 -5.698 -0.579) 5.748 7.387 ( 0.994 5.298 -1.067) 5.495 7.477 ( -0.715 -2.515 -0.669) 2.699 7.584 ( -0.078 0.108 0.872) 0.882 7.626 ( -1.046 -3.149 -0.254) 3.327 7.806 ( -3.876 4.733 0.455) 6.134 7.894 ( -4.174 -3.510 -0.812) 5.514 7.960 ( -0.720 0.277 0.830) 1.133 7.971 ( 0.750 -0.403 -0.003) 0.851 8.125 ( 0.981 1.426 0.051) 1.732 8.141 ( 1.623 -0.088 -0.139) 1.631 8.300 ( 1.695 2.249 0.833) 2.937 8.341 ( 0.288 -1.967 -0.576) 2.069 8.413 ( -0.491 2.232 -0.014) 2.286 8.441 ( -1.288 -0.423 -0.229) 1.375 8.565 ( 2.614 2.039 0.405) 3.340 8.592 ( 2.261 -0.667 -0.259) 2.371 8.790 ( 1.906 3.144 -0.690) 3.741 8.841 ( 0.778 -2.053 -0.750) 2.320 9.033 ( -2.434 1.714 0.167) 2.982 9.056 ( -1.238 -0.642 0.977) 1.703 ======================= Grid point 44 (27/70) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -0.619 1.495 -0.377) 1.662 1.232 ( -0.443 -1.023 0.630) 1.280 1.369 ( -1.106 1.856 -0.451) 2.207 1.395 ( -0.733 -0.976 0.106) 1.226 1.494 ( 0.893 5.907 -0.461) 5.992 1.518 ( -0.148 4.967 0.503) 4.995 1.575 ( 1.279 -1.441 1.229) 2.285 1.621 ( 0.426 -3.463 -1.607) 3.841 1.707 ( -1.940 2.407 -0.248) 3.101 1.748 ( -3.347 4.731 -0.741) 5.842 1.826 ( -0.601 -3.660 2.789) 4.641 1.915 ( -1.246 -7.326 -1.235) 7.533 2.009 ( 0.773 2.025 0.175) 2.174 2.053 ( 2.489 3.163 -1.219) 4.206 2.059 ( 2.204 -0.520 0.673) 2.362 2.074 ( 1.932 1.431 -0.572) 2.472 2.119 ( -1.138 -0.570 -1.047) 1.648 2.158 ( 0.713 -1.206 1.239) 1.871 2.215 ( 0.794 2.558 -0.302) 2.695 2.275 ( 1.504 -2.667 1.978) 3.645 2.400 ( 6.378 3.170 -0.405) 7.134 2.475 ( 6.170 2.789 -1.623) 6.963 2.559 ( 3.191 -4.675 1.548) 5.868 2.648 ( 6.579 -7.135 0.058) 9.705 3.010 ( -3.222 6.615 -0.021) 7.358 3.095 ( -3.131 -1.297 -0.141) 3.392 3.150 ( -0.076 5.114 -0.334) 5.126 3.222 ( -2.559 4.592 -0.007) 5.257 3.268 ( -3.733 -4.634 0.213) 5.954 3.319 ( -3.407 -3.630 -0.859) 5.051 3.628 ( -5.857 3.501 0.415) 6.836 3.687 ( -4.255 -2.206 0.155) 4.795 4.074 ( -0.624 4.944 0.225) 4.989 4.132 ( 0.665 0.146 0.237) 0.721 4.829 ( -1.311 2.541 -0.011) 2.860 4.858 ( -2.966 -0.268 -0.246) 2.988 5.023 ( -1.689 3.683 -0.203) 4.057 5.069 ( -3.709 -0.739 -0.041) 3.782 5.462 ( 0.945 3.370 0.083) 3.501 5.521 ( -0.473 -2.310 -0.098) 2.360 5.819 ( 3.539 7.315 -0.039) 8.126 5.917 ( -0.190 -1.819 -2.677) 3.242 6.021 ( 3.812 2.395 2.181) 5.002 6.110 ( 3.838 -5.464 0.708) 6.715 6.282 ( 10.377 11.852 1.057) 15.788 6.492 ( 12.461 -7.151 -0.225) 14.369 6.595 ( 4.780 3.921 -2.353) 6.615 6.657 ( 3.011 2.667 -0.563) 4.062 6.662 ( 1.622 0.164 -0.040) 1.630 6.752 ( -1.086 -4.516 1.585) 4.907 6.821 ( -1.980 2.983 -1.154) 3.762 6.844 ( -1.000 2.028 1.090) 2.510 6.930 ( -7.821 1.401 0.049) 7.946 6.983 ( -5.917 -3.271 1.134) 6.856 7.093 ( -4.614 3.536 -1.211) 5.938 7.166 ( -2.962 -2.067 1.232) 3.817 7.228 ( -2.114 3.330 0.490) 3.975 7.333 ( -2.574 -5.196 -0.382) 5.812 7.403 ( 1.321 4.081 -0.940) 4.391 7.454 ( -1.133 -0.484 -0.389) 1.292 7.580 ( -0.951 -0.117 0.752) 1.218 7.605 ( -0.667 -2.204 0.322) 2.325 7.761 ( -0.713 2.660 0.129) 2.757 7.814 ( -3.400 -2.100 -0.814) 4.078 7.962 ( 0.314 0.834 0.875) 1.249 7.992 ( 1.211 -1.563 0.169) 1.984 8.132 ( -0.009 2.860 -0.864) 2.988 8.171 ( 1.318 -0.894 -0.135) 1.599 8.320 ( -0.110 0.620 0.627) 0.889 8.335 ( -0.463 -1.047 -0.462) 1.234 8.408 ( -0.034 1.729 0.253) 1.747 8.421 ( -0.508 0.617 -0.148) 0.813 8.628 ( 3.516 1.942 0.362) 4.033 8.648 ( 3.416 0.047 -0.468) 3.448 8.819 ( 1.277 2.050 -1.103) 2.655 8.848 ( -0.071 -0.934 -0.348) 0.999 8.979 ( -2.960 2.957 0.326) 4.197 9.034 ( -1.384 -2.422 1.048) 2.979 ======================= Grid point 45 (28/70) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 1.959 0.000) 1.959 1.229 ( 0.000 -0.962 -0.000) 0.962 1.356 ( 0.000 1.935 0.000) 1.935 1.387 ( 0.000 -1.544 -0.000) 1.544 1.503 ( 0.000 7.668 -0.000) 7.668 1.514 ( 0.000 4.624 -0.000) 4.624 1.586 ( 0.000 -2.080 0.000) 2.080 1.626 ( 0.000 -3.194 0.000) 3.194 1.690 ( 0.000 2.265 -0.000) 2.265 1.708 ( 0.000 7.221 -0.000) 7.221 1.829 ( 0.000 -6.356 -0.000) 6.356 1.897 ( 0.000 -7.656 -0.000) 7.656 2.012 ( 0.000 3.319 0.000) 3.319 2.064 ( 0.000 7.723 0.000) 7.723 2.074 ( 0.000 -2.375 0.000) 2.375 2.111 ( -0.000 0.985 0.000) 0.985 2.115 ( 0.000 -0.639 -0.000) 0.639 2.167 ( 0.000 -2.643 -0.000) 2.643 2.221 ( 0.000 3.273 -0.000) 3.273 2.290 ( 0.000 -2.168 0.000) 2.168 2.488 ( -0.000 1.107 -0.000) 1.107 2.567 ( 0.000 -6.223 -0.000) 6.223 2.570 ( -0.000 6.713 0.000) 6.713 2.711 ( 0.000 -5.251 0.000) 5.251 3.005 ( 0.000 0.788 -0.000) 0.788 3.035 ( -0.000 -0.987 -0.000) 0.987 3.144 ( 0.000 3.915 0.000) 3.915 3.179 ( 0.000 5.767 0.000) 5.767 3.226 ( 0.000 -3.293 -0.000) 3.293 3.279 ( 0.000 -2.841 -0.000) 2.841 3.574 ( 0.000 3.379 -0.000) 3.379 3.647 ( 0.000 -3.557 -0.000) 3.557 4.067 ( 0.000 5.319 -0.000) 5.319 4.140 ( 0.000 -0.907 -0.000) 0.907 4.821 ( -0.000 1.422 -0.000) 1.422 4.827 ( 0.000 0.908 0.000) 0.908 5.013 ( -0.000 1.561 -0.000) 1.561 5.024 ( 0.000 0.446 -0.000) 0.446 5.473 ( 0.000 3.005 0.000) 3.005 5.516 ( 0.000 -1.101 -0.000) 1.101 5.858 ( 0.000 4.937 0.000) 4.937 5.899 ( 0.000 0.090 -0.000) 0.090 6.059 ( 0.000 1.960 0.000) 1.960 6.147 ( 0.000 -5.925 0.000) 5.925 6.415 ( 0.000 15.568 -0.000) 15.568 6.628 ( 0.000 0.973 -0.000) 0.973 6.671 ( 0.000 -0.163 -0.000) 0.163 6.679 ( 0.000 4.398 0.000) 4.398 6.738 ( 0.000 -2.630 0.000) 2.630 6.759 ( 0.000 -3.090 -0.000) 3.090 6.773 ( 0.000 3.830 -0.000) 3.830 6.798 ( -0.000 2.016 0.000) 2.016 6.857 ( 0.000 -3.591 -0.000) 3.591 6.858 ( -0.000 -5.705 0.000) 5.705 7.038 ( 0.000 4.667 0.000) 4.667 7.147 ( 0.000 -6.353 -0.000) 6.353 7.200 ( 0.000 5.524 0.000) 5.524 7.299 ( 0.000 -3.687 -0.000) 3.687 7.420 ( 0.000 3.182 -0.000) 3.182 7.441 ( -0.000 0.633 -0.000) 0.633 7.567 ( 0.000 1.020 0.000) 1.020 7.604 ( 0.000 -2.953 -0.000) 2.953 7.767 ( 0.000 0.284 0.000) 0.284 7.773 ( -0.000 -0.237 -0.000) 0.237 7.968 ( 0.000 0.926 0.000) 0.926 8.006 ( 0.000 -2.110 0.000) 2.110 8.128 ( 0.000 3.700 -0.000) 3.700 8.182 ( 0.000 -1.584 -0.000) 1.584 8.315 ( 0.000 0.804 -0.000) 0.804 8.330 ( 0.000 -0.850 0.000) 0.850 8.408 ( 0.000 1.507 0.000) 1.507 8.419 ( 0.000 0.576 -0.000) 0.576 8.669 ( 0.000 2.160 -0.000) 2.160 8.686 ( 0.000 0.441 -0.000) 0.441 8.825 ( 0.000 1.366 -0.000) 1.366 8.843 ( 0.000 -0.753 0.000) 0.753 8.948 ( 0.000 3.998 0.000) 3.998 9.022 ( 0.000 -3.357 0.000) 3.357 ======================= Grid point 91 (29/70) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( 9.278 0.000 13.937) 16.743 0.437 ( 2.734 0.000 20.726) 20.906 0.558 ( -8.426 0.000 -6.763) 10.804 0.655 ( 5.621 0.000 25.721) 26.328 0.799 ( -1.160 0.000 -15.157) 15.201 0.891 ( 1.803 0.000 3.167) 3.644 1.109 ( 0.802 0.000 -12.613) 12.638 1.172 ( -1.399 0.000 2.727) 3.065 1.215 ( 0.578 0.000 -1.771) 1.862 1.258 ( 1.009 0.000 0.756) 1.261 1.373 ( 2.733 0.000 -0.163) 2.738 1.427 ( 0.877 0.000 1.996) 2.180 1.508 ( -6.588 0.000 -11.357) 13.129 1.549 ( -0.401 0.000 1.107) 1.177 1.639 ( -1.196 0.000 0.310) 1.235 1.671 ( 1.235 0.000 -2.382) 2.683 1.719 ( -3.334 0.000 0.633) 3.394 1.867 ( 2.306 0.000 -2.957) 3.750 1.933 ( -0.278 0.000 0.088) 0.292 2.031 ( 0.247 0.000 -0.104) 0.268 2.072 ( 0.011 0.000 1.389) 1.389 2.105 ( -0.098 0.000 -1.009) 1.014 2.243 ( -0.465 0.000 0.619) 0.774 2.245 ( -0.342 0.000 0.226) 0.410 2.250 ( 0.378 0.000 -0.174) 0.416 2.525 ( 4.174 0.000 12.357) 13.043 2.677 ( -3.925 0.000 -3.088) 4.994 2.771 ( -1.260 0.000 -1.869) 2.255 2.816 ( 0.015 0.000 0.032) 0.035 2.891 ( 1.563 0.000 4.159) 4.443 2.999 ( 1.240 0.000 -5.629) 5.764 3.555 ( -1.063 0.000 1.027) 1.478 3.635 ( 1.078 0.000 -1.339) 1.719 4.246 ( -0.044 0.000 0.155) 0.161 4.479 ( 0.192 0.000 0.388) 0.432 4.572 ( -0.010 0.000 -0.011) 0.015 4.784 ( -1.043 0.000 -0.248) 1.072 4.835 ( 0.964 0.000 0.460) 1.068 4.944 ( 0.043 0.000 0.108) 0.116 4.979 ( -4.936 0.000 0.641) 4.977 5.052 ( -3.141 0.000 -0.706) 3.219 5.508 ( -0.088 0.000 0.459) 0.467 5.645 ( 0.017 0.000 -0.007) 0.019 5.749 ( -0.182 0.000 -1.830) 1.839 5.759 ( -0.102 0.000 -0.101) 0.144 6.082 ( 0.010 0.000 -0.293) 0.293 6.144 ( 2.660 0.000 -0.854) 2.794 6.261 ( 2.688 0.000 6.705) 7.224 6.524 ( 2.174 0.000 4.470) 4.971 6.535 ( 0.086 0.000 0.641) 0.647 6.613 ( -10.013 0.000 -8.947) 13.428 6.711 ( 0.117 0.000 -5.483) 5.484 6.774 ( -0.051 0.000 -0.357) 0.360 6.841 ( 0.451 0.000 1.052) 1.145 6.919 ( 0.006 0.000 -0.024) 0.025 7.128 ( 3.951 0.000 10.661) 11.370 7.223 ( 0.516 0.000 -0.144) 0.536 7.258 ( -0.957 0.000 0.437) 1.052 7.276 ( -2.479 0.000 0.732) 2.585 7.292 ( 0.453 0.000 -0.242) 0.513 7.314 ( -1.005 0.000 -5.675) 5.763 7.413 ( 3.691 0.000 -3.376) 5.002 7.461 ( -0.127 0.000 -0.162) 0.206 7.478 ( 0.116 0.000 0.151) 0.191 7.708 ( -3.229 0.000 2.145) 3.876 7.945 ( 0.463 0.000 1.363) 1.439 8.005 ( 1.191 0.000 0.727) 1.395 8.048 ( 0.451 0.000 -2.685) 2.723 8.274 ( 4.260 0.000 0.425) 4.281 8.286 ( -1.838 0.000 0.389) 1.879 8.301 ( -4.360 0.000 -1.189) 4.519 8.461 ( 2.069 0.000 -0.403) 2.108 8.517 ( 1.729 0.000 1.371) 2.207 8.591 ( -0.112 0.000 -0.303) 0.323 8.905 ( 0.542 0.000 -0.631) 0.832 9.062 ( 4.344 0.000 0.900) 4.437 9.130 ( 0.208 0.000 -0.453) 0.499 9.235 ( 0.021 0.000 0.252) 0.253 ======================= Grid point 92 (30/70) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -3.043 0.000 12.624) 12.985 0.570 ( 11.221 0.000 -7.357) 13.418 0.638 ( 8.775 0.000 14.522) 16.968 0.758 ( 3.891 0.000 -14.910) 15.409 0.824 ( -6.780 0.000 -5.631) 8.814 0.998 ( 15.691 0.000 14.994) 21.703 1.172 ( 0.317 0.000 2.489) 2.509 1.212 ( 15.364 0.000 -12.888) 20.054 1.228 ( 1.639 0.000 -0.841) 1.842 1.284 ( -3.055 0.000 -6.824) 7.477 1.350 ( 4.473 0.000 2.989) 5.380 1.443 ( 0.383 0.000 -0.406) 0.558 1.488 ( -1.725 0.000 8.085) 8.267 1.535 ( -1.804 0.000 1.530) 2.365 1.627 ( 0.340 0.000 1.052) 1.106 1.692 ( 1.621 0.000 -2.485) 2.967 1.725 ( 6.542 0.000 -1.556) 6.725 1.879 ( -1.452 0.000 -3.211) 3.524 1.960 ( 3.492 0.000 0.895) 3.605 2.013 ( -1.342 0.000 -0.198) 1.356 2.053 ( -3.649 0.000 1.367) 3.897 2.074 ( -1.721 0.000 -0.879) 1.933 2.150 ( -8.805 0.000 0.116) 8.805 2.187 ( -4.747 0.000 0.962) 4.844 2.242 ( -0.731 0.000 -0.147) 0.745 2.539 ( -6.709 0.000 -3.679) 7.651 2.649 ( 0.302 0.000 7.927) 7.933 2.667 ( -3.118 0.000 1.148) 3.323 2.875 ( -4.133 0.000 3.061) 5.143 2.883 ( 5.874 0.000 -0.006) 5.874 2.975 ( -1.335 0.000 -6.143) 6.287 3.578 ( 0.852 0.000 0.276) 0.896 3.668 ( -0.192 0.000 -0.450) 0.490 4.016 ( -20.237 0.000 -0.381) 20.240 4.434 ( -1.813 0.000 1.630) 2.438 4.570 ( -0.161 0.000 0.013) 0.162 4.793 ( 1.967 0.000 1.121) 2.264 4.924 ( -1.944 0.000 -0.015) 1.944 5.004 ( 10.483 0.000 -0.321) 10.488 5.097 ( 17.296 0.000 -1.774) 17.387 5.296 ( 14.264 0.000 2.710) 14.519 5.623 ( -1.310 0.000 -0.012) 1.311 5.643 ( 13.651 0.000 1.737) 13.761 5.829 ( 7.859 0.000 -1.054) 7.929 5.846 ( 7.964 0.000 0.146) 7.966 6.091 ( 1.013 0.000 -0.264) 1.047 6.109 ( -4.161 0.000 -3.403) 5.376 6.318 ( 0.133 0.000 -3.808) 3.810 6.409 ( -4.173 0.000 1.436) 4.414 6.499 ( -4.152 0.000 0.247) 4.159 6.702 ( 6.932 0.000 6.293) 9.363 6.757 ( -1.440 0.000 -0.102) 1.444 6.801 ( 5.616 0.000 -0.288) 5.623 6.838 ( 1.892 0.000 -3.797) 4.243 6.938 ( 1.912 0.000 -0.047) 1.913 7.182 ( -2.069 0.000 -2.533) 3.271 7.204 ( -2.190 0.000 -0.708) 2.301 7.221 ( -3.299 0.000 7.764) 8.436 7.234 ( -1.578 0.000 0.995) 1.865 7.292 ( -0.518 0.000 -4.076) 4.109 7.302 ( 0.417 0.000 -0.254) 0.489 7.390 ( -0.643 0.000 -5.872) 5.907 7.473 ( 1.251 0.000 0.105) 1.256 7.487 ( 0.779 0.000 -0.105) 0.786 7.719 ( 1.682 0.000 6.631) 6.841 7.915 ( -7.320 0.000 1.071) 7.398 7.941 ( -5.831 0.000 -2.120) 6.204 7.973 ( -2.464 0.000 -2.740) 3.686 8.183 ( -4.783 0.000 -0.793) 4.848 8.265 ( -1.309 0.000 2.830) 3.118 8.373 ( 2.387 0.000 -0.755) 2.504 8.469 ( 1.283 0.000 -0.423) 1.351 8.566 ( 3.129 0.000 -1.956) 3.690 8.604 ( 1.435 0.000 -0.130) 1.441 8.829 ( -5.754 0.000 -1.247) 5.887 9.030 ( -5.929 0.000 -1.941) 6.238 9.106 ( -0.312 0.000 2.340) 2.360 9.262 ( 1.850 0.000 -0.286) 1.872 ======================= Grid point 93 (31/70) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 2.719 0.000 5.706) 6.321 0.643 ( -2.436 0.000 -1.212) 2.721 0.767 ( 7.355 0.000 -5.614) 9.253 0.779 ( 5.602 0.000 -3.921) 6.838 0.843 ( 4.631 0.000 1.362) 4.827 1.116 ( -6.118 0.000 -8.970) 10.858 1.203 ( 2.199 0.000 0.840) 2.354 1.274 ( 3.017 0.000 1.509) 3.374 1.288 ( 9.515 0.000 -0.190) 9.517 1.371 ( 4.601 0.000 -0.401) 4.618 1.436 ( -0.832 0.000 -1.103) 1.382 1.465 ( 2.738 0.000 10.050) 10.417 1.507 ( -1.001 0.000 2.066) 2.296 1.659 ( 13.357 0.000 -2.994) 13.688 1.660 ( 2.461 0.000 0.922) 2.628 1.703 ( 0.695 0.000 -3.112) 3.189 1.772 ( -3.501 0.000 -2.235) 4.154 1.881 ( 3.645 0.000 7.429) 8.275 1.934 ( -9.532 0.000 0.126) 9.533 2.001 ( -5.338 0.000 0.708) 5.385 2.023 ( 3.703 0.000 -1.256) 3.910 2.045 ( -1.371 0.000 0.037) 1.371 2.058 ( 6.352 0.000 2.948) 7.002 2.140 ( 1.298 0.000 -0.244) 1.321 2.230 ( -0.423 0.000 -0.208) 0.471 2.381 ( -9.654 0.000 -4.639) 10.711 2.538 ( -3.837 0.000 -0.440) 3.862 2.751 ( 0.491 0.000 2.142) 2.197 2.814 ( -1.872 0.000 4.367) 4.751 2.891 ( -6.063 0.000 -3.989) 7.257 2.985 ( 4.330 0.000 -0.021) 4.330 3.557 ( -2.758 0.000 -0.411) 2.789 3.604 ( -10.162 0.000 -1.091) 10.220 3.661 ( -9.461 0.000 0.069) 9.461 4.444 ( 1.144 0.000 0.344) 1.195 4.567 ( -0.163 0.000 0.009) 0.163 4.829 ( 1.145 0.000 0.982) 1.509 4.887 ( -1.663 0.000 -0.080) 1.665 5.149 ( 4.958 0.000 0.671) 5.003 5.386 ( 13.002 0.000 -3.086) 13.363 5.509 ( 7.750 0.000 -0.543) 7.769 5.607 ( -0.414 0.000 0.023) 0.415 5.847 ( 2.776 0.000 -2.308) 3.610 5.971 ( 9.645 0.000 -0.304) 9.649 6.020 ( 10.228 0.000 0.505) 10.240 6.110 ( 0.967 0.000 -0.283) 1.008 6.115 ( 8.620 0.000 3.243) 9.209 6.296 ( -0.563 0.000 0.726) 0.919 6.389 ( -7.533 0.000 -0.209) 7.535 6.419 ( -1.214 0.000 2.787) 3.040 6.681 ( -5.056 0.000 -0.661) 5.099 6.730 ( -1.246 0.000 0.048) 1.247 6.847 ( -2.739 0.000 -4.342) 5.134 6.882 ( -1.064 0.000 1.965) 2.234 6.980 ( 2.358 0.000 -0.009) 2.358 7.098 ( -0.752 0.000 -1.808) 1.958 7.150 ( -2.870 0.000 -1.271) 3.139 7.181 ( -2.537 0.000 5.531) 6.085 7.219 ( -0.529 0.000 2.059) 2.125 7.300 ( -0.394 0.000 -0.787) 0.880 7.310 ( 3.020 0.000 -0.411) 3.048 7.434 ( 5.379 0.000 -0.555) 5.407 7.498 ( 1.074 0.000 0.138) 1.083 7.502 ( 0.735 0.000 -0.143) 0.749 7.706 ( -7.588 0.000 1.644) 7.764 7.780 ( -5.147 0.000 2.780) 5.850 7.861 ( -0.234 0.000 -1.767) 1.783 7.932 ( -1.024 0.000 -3.974) 4.103 8.131 ( -0.781 0.000 -0.220) 0.812 8.235 ( -2.217 0.000 1.443) 2.645 8.394 ( 0.383 0.000 1.393) 1.444 8.499 ( 1.341 0.000 0.296) 1.373 8.614 ( 1.891 0.000 -1.902) 2.682 8.637 ( 2.481 0.000 0.928) 2.649 8.736 ( -3.274 0.000 -0.642) 3.336 8.927 ( -3.870 0.000 -4.068) 5.615 9.109 ( -0.390 0.000 1.686) 1.730 9.291 ( 1.338 0.000 -0.185) 1.350 ======================= Grid point 94 (32/70) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -6.611 0.000 -2.823) 7.189 0.642 ( 0.388 0.000 2.739) 2.766 0.831 ( -5.830 0.000 0.681) 5.870 0.869 ( 4.642 0.000 -2.654) 5.347 0.883 ( 3.968 0.000 -4.881) 6.290 1.015 ( -0.616 0.000 -3.544) 3.598 1.238 ( 0.715 0.000 -0.287) 0.771 1.330 ( 2.276 0.000 0.043) 2.276 1.343 ( -0.819 0.000 0.436) 0.928 1.406 ( -2.439 0.000 1.920) 3.104 1.434 ( -0.654 0.000 1.702) 1.823 1.526 ( 0.373 0.000 3.152) 3.174 1.541 ( -0.456 0.000 1.078) 1.171 1.679 ( -2.174 0.000 -3.736) 4.322 1.686 ( -1.467 0.000 -1.125) 1.848 1.723 ( 2.848 0.000 -0.759) 2.947 1.800 ( -0.593 0.000 0.247) 0.642 1.866 ( 9.439 0.000 5.632) 10.991 1.910 ( -5.561 0.000 6.008) 8.187 1.953 ( -0.324 0.000 1.014) 1.064 2.014 ( -5.065 0.000 -3.445) 6.125 2.032 ( 0.084 0.000 0.079) 0.115 2.079 ( 1.323 0.000 -4.783) 4.963 2.225 ( 0.015 0.000 -0.194) 0.194 2.246 ( -0.856 0.000 -0.336) 0.920 2.328 ( 6.101 0.000 1.415) 6.263 2.582 ( 8.462 0.000 -0.882) 8.508 2.643 ( -8.412 0.000 -3.308) 9.039 2.747 ( -4.751 0.000 3.317) 5.794 2.843 ( 1.120 0.000 2.201) 2.470 3.026 ( -0.004 0.000 -0.017) 0.018 3.458 ( 0.594 0.000 -2.205) 2.283 3.518 ( 0.249 0.000 -0.736) 0.777 3.623 ( 0.112 0.000 0.571) 0.582 4.452 ( -0.392 0.000 -0.199) 0.440 4.565 ( -0.007 0.000 -0.000) 0.007 4.840 ( -0.448 0.000 1.025) 1.118 4.870 ( -0.013 0.000 -0.062) 0.064 5.197 ( 0.108 0.000 0.534) 0.545 5.499 ( 0.018 0.000 -1.588) 1.588 5.528 ( -3.476 0.000 -3.538) 4.960 5.604 ( 0.009 0.000 0.024) 0.026 5.962 ( 7.184 0.000 7.020) 10.044 6.111 ( -0.113 0.000 -2.440) 2.442 6.114 ( -0.978 0.000 0.547) 1.121 6.180 ( -4.716 0.000 -1.260) 4.882 6.204 ( 5.246 0.000 0.752) 5.300 6.237 ( -4.316 0.000 -1.282) 4.503 6.258 ( -0.460 0.000 -2.495) 2.537 6.391 ( 0.856 0.000 4.925) 4.998 6.693 ( 5.890 0.000 -1.401) 6.054 6.718 ( 0.046 0.000 0.040) 0.061 6.726 ( -5.340 0.000 -2.728) 5.997 6.819 ( -1.426 0.000 -2.417) 2.806 7.010 ( 0.137 0.000 0.086) 0.162 7.107 ( -0.389 0.000 -1.032) 1.103 7.146 ( -1.533 0.000 4.329) 4.592 7.176 ( 3.843 0.000 1.585) 4.157 7.231 ( 0.693 0.000 2.344) 2.444 7.286 ( -0.435 0.000 -1.418) 1.483 7.364 ( 2.043 0.000 0.244) 2.058 7.508 ( -0.095 0.000 0.073) 0.120 7.510 ( 0.104 0.000 -0.072) 0.126 7.529 ( 0.314 0.000 0.119) 0.336 7.590 ( 0.452 0.000 -0.761) 0.885 7.715 ( -2.310 0.000 1.690) 2.862 7.859 ( -0.167 0.000 0.856) 0.872 7.922 ( 0.743 0.000 -4.006) 4.075 8.131 ( 0.350 0.000 0.033) 0.352 8.215 ( -0.433 0.000 1.252) 1.325 8.407 ( 0.428 0.000 1.884) 1.932 8.514 ( -0.019 0.000 0.646) 0.646 8.623 ( 0.150 0.000 -1.574) 1.581 8.666 ( 0.038 0.000 0.445) 0.446 8.731 ( 2.009 0.000 2.535) 3.235 8.842 ( -3.414 0.000 -5.946) 6.856 9.109 ( 0.074 0.000 1.036) 1.038 9.304 ( -0.010 0.000 -0.037) 0.038 ======================= Grid point 95 (33/70) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( -0.126 0.000 12.777) 12.778 0.655 ( -12.656 0.000 3.436) 13.114 0.657 ( -0.286 0.000 -1.537) 1.563 0.823 ( -8.344 0.000 -9.104) 12.350 0.921 ( 1.530 0.000 -3.135) 3.488 1.037 ( 2.962 0.000 -0.408) 2.990 1.232 ( -0.655 0.000 -0.819) 1.048 1.261 ( -8.381 0.000 4.238) 9.392 1.298 ( -5.199 0.000 -0.198) 5.203 1.312 ( -7.773 0.000 1.268) 7.876 1.402 ( 0.428 0.000 1.139) 1.217 1.519 ( -0.356 0.000 1.691) 1.728 1.594 ( -16.583 0.000 -0.759) 16.600 1.622 ( 5.938 0.000 0.745) 5.985 1.639 ( -0.722 0.000 0.485) 0.870 1.719 ( -0.709 0.000 -2.789) 2.878 1.735 ( 3.639 0.000 -0.620) 3.692 1.930 ( 9.223 0.000 0.442) 9.234 1.990 ( 0.764 0.000 1.976) 2.118 1.998 ( 4.948 0.000 0.793) 5.012 2.027 ( -5.344 0.000 -0.841) 5.410 2.050 ( 1.808 0.000 -0.179) 1.816 2.097 ( 4.607 0.000 1.840) 4.960 2.138 ( -9.711 0.000 -3.614) 10.362 2.229 ( 0.427 0.000 -0.142) 0.450 2.351 ( 0.226 0.000 -3.504) 3.511 2.543 ( 5.735 0.000 -0.577) 5.764 2.725 ( 1.180 0.000 6.698) 6.801 2.782 ( 2.799 0.000 1.535) 3.192 2.900 ( 5.065 0.000 -2.530) 5.662 2.984 ( -4.341 0.000 -0.003) 4.341 3.534 ( 3.965 0.000 0.588) 4.009 3.610 ( 6.635 0.000 -0.526) 6.655 3.677 ( 11.377 0.000 -1.375) 11.460 4.436 ( -0.989 0.000 0.848) 1.302 4.567 ( 0.171 0.000 0.013) 0.172 4.824 ( -1.646 0.000 1.375) 2.145 4.886 ( 1.620 0.000 -0.014) 1.620 5.157 ( -4.764 0.000 0.299) 4.774 5.346 ( -14.554 0.000 -0.570) 14.565 5.460 ( -4.148 0.000 1.967) 4.591 5.608 ( 0.423 0.000 -0.004) 0.423 5.853 ( -13.703 0.000 -1.858) 13.828 5.970 ( -6.945 0.000 -0.178) 6.947 6.017 ( -9.577 0.000 0.584) 9.595 6.122 ( -1.832 0.000 -0.934) 2.056 6.194 ( -2.700 0.000 -2.726) 3.837 6.299 ( -1.433 0.000 0.905) 1.695 6.379 ( 7.655 0.000 0.454) 7.668 6.448 ( 9.572 0.000 2.508) 9.895 6.680 ( 1.660 0.000 -2.302) 2.838 6.732 ( 1.348 0.000 -0.071) 1.350 6.819 ( 6.090 0.000 0.927) 6.160 6.849 ( 3.355 0.000 -0.324) 3.370 6.982 ( -2.406 0.000 -0.112) 2.409 7.129 ( -0.796 0.000 -0.295) 0.849 7.134 ( 2.788 0.000 -0.025) 2.788 7.239 ( 2.156 0.000 0.040) 2.157 7.251 ( 0.548 0.000 0.311) 0.630 7.283 ( 0.526 0.000 -0.192) 0.560 7.358 ( -2.233 0.000 -4.754) 5.253 7.472 ( -1.894 0.000 -3.229) 3.743 7.498 ( -0.980 0.000 0.134) 0.989 7.502 ( -0.833 0.000 -0.146) 0.845 7.683 ( 4.275 0.000 6.857) 8.081 7.754 ( 6.137 0.000 0.820) 6.192 7.869 ( 0.440 0.000 -0.415) 0.605 7.907 ( 0.009 0.000 -3.311) 3.311 8.136 ( 0.318 0.000 -0.584) 0.665 8.231 ( 1.540 0.000 1.803) 2.371 8.420 ( 0.259 0.000 0.144) 0.296 8.501 ( -1.669 0.000 0.331) 1.702 8.606 ( -1.637 0.000 -1.898) 2.506 8.661 ( -2.012 0.000 -1.019) 2.255 8.744 ( -0.483 0.000 -2.105) 2.160 8.818 ( 3.294 0.000 4.478) 5.559 9.121 ( 0.702 0.000 0.516) 0.871 9.288 ( -1.603 0.000 -0.027) 1.603 ======================= Grid point 96 (34/70) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -13.862 0.000 5.018) 14.742 0.450 ( -11.122 0.000 13.523) 17.509 0.534 ( -3.189 0.000 17.593) 17.880 0.700 ( -0.094 0.000 -10.125) 10.125 0.888 ( -2.099 0.000 -9.478) 9.708 0.973 ( -15.649 0.000 7.783) 17.477 1.181 ( -1.933 0.000 -2.206) 2.933 1.209 ( -3.885 0.000 1.930) 4.338 1.211 ( 3.133 0.000 -2.088) 3.765 1.218 ( -0.134 0.000 -1.977) 1.982 1.380 ( -5.890 0.000 0.943) 5.965 1.407 ( 0.144 0.000 1.818) 1.824 1.540 ( 0.920 0.000 1.370) 1.650 1.639 ( 0.325 0.000 0.617) 0.697 1.688 ( -1.312 0.000 -2.633) 2.942 1.716 ( 4.183 0.000 -4.264) 5.973 1.769 ( -11.945 0.000 -7.040) 13.866 1.841 ( 0.643 0.000 -2.071) 2.169 1.974 ( -4.665 0.000 -1.146) 4.803 2.009 ( 1.287 0.000 0.032) 1.288 2.042 ( 3.024 0.000 1.347) 3.311 2.083 ( 2.325 0.000 -0.783) 2.453 2.151 ( 8.699 0.000 0.023) 8.699 2.194 ( 4.541 0.000 0.273) 4.549 2.240 ( 0.743 0.000 -0.016) 0.744 2.406 ( 3.568 0.000 8.766) 9.464 2.673 ( 5.841 0.000 -0.748) 5.889 2.746 ( -0.892 0.000 0.889) 1.259 2.821 ( 1.959 0.000 6.069) 6.377 2.883 ( -5.875 0.000 0.024) 5.875 2.970 ( 4.043 0.000 -5.098) 6.506 3.575 ( 0.052 0.000 0.466) 0.469 3.655 ( 0.151 0.000 0.695) 0.711 4.019 ( 19.897 0.000 -0.622) 19.906 4.447 ( 2.084 0.000 0.653) 2.184 4.570 ( 0.165 0.000 -0.002) 0.165 4.798 ( -1.331 0.000 0.888) 1.600 4.922 ( 1.951 0.000 0.088) 1.953 4.995 ( -14.366 0.000 0.103) 14.366 5.058 ( -11.223 0.000 1.062) 11.273 5.374 ( -6.960 0.000 -2.790) 7.499 5.623 ( 1.286 0.000 -0.028) 1.287 5.642 ( -10.889 0.000 2.024) 11.075 5.836 ( -5.844 0.000 -0.346) 5.854 5.848 ( -8.001 0.000 -0.011) 8.001 6.093 ( -1.074 0.000 -0.430) 1.157 6.105 ( -2.726 0.000 -6.291) 6.857 6.258 ( -1.976 0.000 2.708) 3.353 6.492 ( 4.225 0.000 0.674) 4.279 6.561 ( 2.651 0.000 -10.840) 11.159 6.760 ( 1.496 0.000 -0.275) 1.521 6.763 ( 2.728 0.000 3.399) 4.358 6.824 ( -3.256 0.000 -6.493) 7.264 6.932 ( -3.076 0.000 -5.744) 6.516 6.939 ( -1.938 0.000 -0.074) 1.939 7.019 ( -6.222 0.000 0.826) 6.276 7.189 ( 2.744 0.000 0.319) 2.762 7.258 ( 0.571 0.000 -0.702) 0.905 7.269 ( 1.015 0.000 2.188) 2.412 7.292 ( 0.030 0.000 0.443) 0.444 7.331 ( 3.390 0.000 -3.714) 5.029 7.405 ( -3.441 0.000 -7.411) 8.170 7.477 ( -1.197 0.000 -0.085) 1.200 7.484 ( -0.820 0.000 0.080) 0.824 7.761 ( -2.553 0.000 4.492) 5.167 7.875 ( 9.538 0.000 3.294) 10.091 7.917 ( 3.076 0.000 0.836) 3.188 7.947 ( 6.523 0.000 0.782) 6.569 8.159 ( 3.609 0.000 0.649) 3.667 8.286 ( 3.447 0.000 2.578) 4.305 8.385 ( -4.486 0.000 -2.385) 5.080 8.460 ( -2.459 0.000 -0.367) 2.486 8.535 ( -3.838 0.000 0.102) 3.840 8.610 ( -1.759 0.000 -0.406) 1.805 8.800 ( 5.811 0.000 2.272) 6.239 8.927 ( 5.391 0.000 6.977) 8.817 9.129 ( -0.059 0.000 0.047) 0.076 9.253 ( -1.878 0.000 0.338) 1.909 ======================= Grid point 97 (35/70) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.255 9.787 6.912) 11.984 0.490 ( 3.646 13.702 5.414) 15.177 0.727 ( -4.335 11.407 -7.615) 14.385 0.758 ( -0.266 3.040 -11.430) 11.830 0.917 ( 1.590 6.484 5.786) 8.835 1.051 ( 0.678 20.987 13.085) 24.741 1.170 ( 0.357 1.389 1.746) 2.259 1.218 ( 1.290 4.454 -1.312) 4.819 1.319 ( 1.766 9.082 1.081) 9.315 1.349 ( 3.831 5.230 -0.091) 6.484 1.408 ( -2.802 9.017 1.233) 9.522 1.569 ( -3.207 9.114 -6.449) 11.617 1.624 ( -0.645 13.193 -0.259) 13.211 1.657 ( -0.211 11.425 -2.287) 11.654 1.689 ( -0.764 -0.811 -0.079) 1.117 1.759 ( 1.308 7.919 -1.246) 8.123 1.781 ( -1.365 4.360 -4.206) 6.210 1.857 ( 0.498 3.261 -3.259) 4.637 1.930 ( -0.328 2.902 1.065) 3.109 2.011 ( 0.355 -1.070 -0.308) 1.168 2.105 ( 0.038 1.199 0.517) 1.306 2.196 ( 1.103 3.617 -0.599) 3.829 2.236 ( -1.615 0.479 -0.714) 1.830 2.333 ( -1.453 7.730 0.582) 7.887 2.365 ( 0.914 9.835 -0.054) 9.878 2.536 ( 3.205 2.368 8.201) 9.118 2.655 ( -2.290 -0.989 -1.681) 3.008 2.758 ( -1.230 0.647 4.565) 4.772 2.888 ( 1.661 5.468 0.520) 5.739 2.969 ( -0.300 -1.277 -5.439) 5.595 3.338 ( -1.490 19.374 -7.699) 20.901 3.491 ( -0.500 -5.130 0.350) 5.166 3.663 ( -0.035 7.136 0.509) 7.154 4.194 ( 0.050 -4.532 0.073) 4.533 4.464 ( 0.282 -0.989 0.432) 1.115 4.626 ( 0.437 2.381 0.651) 2.507 4.746 ( -0.218 -1.467 -0.402) 1.537 4.783 ( 0.944 -4.005 0.443) 4.138 4.906 ( 1.120 7.372 0.584) 7.479 5.027 ( -0.143 -1.366 -1.131) 1.779 5.251 ( -1.658 10.467 -1.627) 10.721 5.514 ( 0.092 4.419 0.398) 4.438 5.752 ( -0.287 2.273 -1.465) 2.719 5.885 ( 1.100 7.981 0.056) 8.057 5.982 ( -1.431 17.782 -2.002) 17.951 6.063 ( -1.253 0.956 -1.899) 2.468 6.216 ( 1.416 -2.530 4.134) 5.049 6.295 ( 1.458 7.584 0.494) 7.739 6.477 ( -4.617 -5.094 -5.356) 8.715 6.522 ( -1.010 0.909 -5.274) 5.446 6.631 ( 4.124 3.932 1.440) 5.877 6.723 ( -3.655 1.255 -5.309) 6.567 6.812 ( -0.920 0.084 0.114) 0.930 6.860 ( 1.557 4.010 0.705) 4.359 6.982 ( -1.760 2.959 -2.106) 4.036 7.134 ( 0.128 -0.495 2.787) 2.833 7.187 ( 1.191 -2.286 -0.473) 2.620 7.247 ( 1.512 2.942 5.148) 6.119 7.286 ( -0.122 0.783 -0.051) 0.794 7.344 ( -1.689 5.088 0.457) 5.381 7.435 ( 1.562 5.587 -6.435) 8.664 7.446 ( 0.851 5.561 -0.505) 5.648 7.487 ( 1.184 2.438 2.168) 3.471 7.518 ( -1.141 4.421 -1.392) 4.773 7.741 ( -1.420 2.548 3.397) 4.477 7.936 ( -0.798 -0.651 0.332) 1.081 7.997 ( 1.434 -1.507 1.864) 2.793 8.102 ( -1.466 3.486 -6.973) 7.933 8.258 ( 1.359 -2.011 0.677) 2.520 8.269 ( 0.980 -2.110 0.369) 2.355 8.297 ( -2.727 0.090 -1.465) 3.097 8.476 ( -0.103 0.409 0.533) 0.679 8.512 ( 1.533 -0.269 -1.952) 2.497 8.582 ( -0.094 -0.787 -0.254) 0.832 8.872 ( 1.127 -3.279 -0.245) 3.476 9.007 ( 3.335 -4.515 5.782) 8.058 9.077 ( -1.269 -3.080 -1.250) 3.558 9.217 ( 0.036 -1.724 0.276) 1.746 ======================= Grid point 98 (36/70) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -0.859 7.439 6.834) 10.138 0.545 ( 3.180 1.611 -1.834) 4.009 0.682 ( 5.567 8.809 -5.476) 11.772 0.733 ( 3.512 7.706 -1.193) 8.552 0.954 ( -0.256 5.741 0.584) 5.776 1.132 ( 1.389 6.625 3.703) 7.716 1.239 ( -0.376 1.585 -2.096) 2.655 1.260 ( 5.874 3.264 -3.504) 7.578 1.314 ( 0.661 6.451 1.420) 6.639 1.390 ( 2.796 5.836 0.980) 6.545 1.462 ( 1.494 15.488 -2.945) 15.836 1.532 ( 2.946 9.648 7.197) 12.392 1.621 ( 0.401 15.192 0.451) 15.204 1.670 ( 1.881 12.183 -0.842) 12.356 1.709 ( 7.098 0.841 -0.522) 7.167 1.768 ( -1.262 5.353 -4.081) 6.848 1.783 ( 1.212 10.614 0.033) 10.683 1.886 ( 3.910 -1.711 -1.797) 4.630 1.930 ( 0.098 4.174 0.883) 4.268 2.009 ( 0.604 0.298 -0.655) 0.940 2.080 ( -3.106 0.425 0.047) 3.135 2.104 ( -6.865 1.789 -0.141) 7.095 2.212 ( -4.285 6.106 0.788) 7.501 2.312 ( 0.512 7.257 0.967) 7.339 2.406 ( 1.628 11.621 -0.258) 11.737 2.554 ( -2.723 2.518 -2.363) 4.397 2.651 ( 0.231 -0.864 2.349) 2.513 2.710 ( -4.576 7.179 5.369) 10.065 2.867 ( -3.552 1.309 2.861) 4.746 2.914 ( -0.952 -0.297 -6.756) 6.829 3.247 ( -3.192 20.544 -0.142) 20.791 3.524 ( 1.112 -4.499 -0.277) 4.643 3.659 ( -1.495 2.777 0.809) 3.256 3.998 ( -17.715 -1.344 -0.288) 17.768 4.389 ( -3.611 -3.151 0.528) 4.821 4.640 ( 0.230 4.820 -0.364) 4.839 4.741 ( 2.309 -2.789 0.845) 3.718 4.937 ( 9.870 -4.062 0.508) 10.685 5.109 ( 3.955 4.415 -0.529) 5.951 5.122 ( 15.759 4.862 -5.484) 17.380 5.272 ( 7.090 3.653 4.065) 8.952 5.549 ( 3.770 0.503 0.189) 3.809 5.791 ( -2.685 9.734 1.358) 10.188 5.818 ( 5.656 1.572 -1.010) 5.957 6.006 ( -1.654 -0.537 -2.340) 2.916 6.138 ( 8.818 14.746 1.806) 17.276 6.241 ( -0.571 -3.516 -0.711) 3.632 6.308 ( -1.705 10.310 -4.109) 11.229 6.378 ( -0.458 -1.405 3.184) 3.510 6.528 ( -1.665 0.469 -0.200) 1.741 6.645 ( -0.792 -4.162 0.718) 4.297 6.751 ( 5.021 0.263 -0.930) 5.113 6.838 ( 1.773 2.717 1.424) 3.544 6.865 ( 1.297 4.039 -2.676) 5.016 6.963 ( -0.530 -0.061 2.021) 2.090 7.127 ( -1.481 -2.732 0.534) 3.153 7.182 ( -1.197 -1.615 -1.534) 2.529 7.236 ( -3.188 3.848 2.589) 5.628 7.258 ( -2.499 0.630 0.695) 2.670 7.317 ( -2.858 2.552 -3.816) 5.408 7.429 ( 1.564 8.731 0.451) 8.882 7.462 ( 1.173 4.931 -3.299) 6.047 7.505 ( 0.870 4.288 -1.376) 4.587 7.528 ( 1.754 4.664 0.980) 5.078 7.762 ( 1.646 2.869 4.553) 5.628 7.912 ( -4.327 -1.546 3.392) 5.712 7.943 ( -5.296 0.477 -2.071) 5.706 8.005 ( -4.103 3.350 -3.514) 6.356 8.196 ( -4.914 0.678 -1.102) 5.081 8.261 ( -0.393 -0.532 2.482) 2.569 8.364 ( 2.968 -0.909 -0.726) 3.187 8.466 ( 0.026 -0.220 -0.033) 0.224 8.534 ( 2.102 -2.772 -2.050) 4.038 8.593 ( 1.169 -1.250 0.060) 1.712 8.797 ( -5.892 -2.974 -1.418) 6.751 8.997 ( -6.274 -3.209 -0.017) 7.047 9.064 ( 1.347 -3.090 1.410) 3.654 9.237 ( 1.719 -2.124 -0.106) 2.735 ======================= Grid point 99 (37/70) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 2.860 6.937 4.772) 8.893 0.589 ( 5.465 1.065 -5.999) 8.185 0.764 ( 6.002 2.213 -3.597) 7.339 0.878 ( 3.381 4.395 4.104) 6.898 0.934 ( 1.834 8.704 -1.080) 8.960 1.125 ( -3.919 3.166 -5.337) 7.339 1.186 ( 2.440 -0.028 0.058) 2.441 1.334 ( 0.873 6.875 2.276) 7.295 1.364 ( 4.976 3.136 -3.156) 6.675 1.422 ( -1.811 0.455 5.371) 5.686 1.484 ( 1.258 5.529 1.571) 5.884 1.568 ( -1.176 3.546 -2.216) 4.343 1.639 ( -1.188 11.647 1.390) 11.790 1.694 ( -2.505 2.984 -2.283) 4.516 1.719 ( 2.269 14.216 2.595) 14.628 1.840 ( 3.672 9.814 -3.986) 11.211 1.876 ( -1.506 3.792 -2.865) 4.985 1.904 ( 1.809 5.426 6.352) 8.548 1.960 ( 1.957 -0.436 0.786) 2.154 2.022 ( -2.891 1.137 1.008) 3.266 2.036 ( 6.083 4.904 -0.590) 7.835 2.080 ( 7.589 6.274 -0.131) 9.848 2.133 ( -3.159 7.328 -0.052) 7.980 2.324 ( 0.778 14.787 1.744) 14.910 2.425 ( 0.964 13.212 -0.330) 13.251 2.497 ( -3.306 9.525 -2.463) 10.379 2.546 ( -5.071 3.760 -0.669) 6.349 2.736 ( -1.897 -0.759 1.108) 2.324 2.796 ( -1.223 -0.692 3.824) 4.074 2.886 ( -2.703 0.488 -3.089) 4.133 3.220 ( -0.420 19.624 1.263) 19.670 3.498 ( -3.369 -5.038 -0.139) 6.062 3.610 ( -5.201 2.651 -0.885) 5.904 3.677 ( -11.621 2.389 -0.137) 11.865 4.368 ( 0.184 -5.476 -0.215) 5.484 4.641 ( 0.114 4.804 -0.323) 4.817 4.795 ( 2.157 -1.468 1.064) 2.818 5.054 ( 1.082 8.398 -0.164) 8.469 5.128 ( 2.183 1.347 0.089) 2.566 5.340 ( 10.353 -2.918 -3.853) 11.425 5.493 ( 9.023 -0.589 0.613) 9.063 5.655 ( 7.486 -2.041 0.513) 7.776 5.786 ( 0.086 6.675 -0.603) 6.702 5.920 ( 2.718 -2.535 0.817) 3.806 6.006 ( 5.856 -2.529 3.505) 7.278 6.157 ( -5.629 -5.123 -1.650) 7.788 6.265 ( -3.527 7.810 -2.890) 9.044 6.299 ( 7.036 11.770 -1.193) 13.764 6.387 ( -0.160 -0.636 1.849) 1.962 6.516 ( 2.477 4.722 1.725) 5.604 6.655 ( -1.487 -2.922 3.183) 4.570 6.737 ( -3.956 0.806 -0.665) 4.092 6.827 ( -3.477 1.187 -3.859) 5.328 6.935 ( 0.430 5.029 2.179) 5.498 6.966 ( 1.643 -3.514 0.750) 3.951 7.072 ( -2.741 -1.563 -4.299) 5.333 7.138 ( -2.084 0.171 0.509) 2.152 7.179 ( -0.366 -0.407 1.836) 1.916 7.258 ( 1.740 5.186 1.299) 5.622 7.281 ( -0.713 -0.335 1.269) 1.494 7.446 ( 0.187 8.599 -0.022) 8.601 7.493 ( 1.910 1.392 -0.065) 2.364 7.536 ( 2.874 6.573 -1.610) 7.352 7.556 ( 1.291 6.298 0.574) 6.455 7.737 ( -6.708 2.963 1.200) 7.430 7.849 ( -4.493 2.974 -0.317) 5.397 7.866 ( 0.576 2.455 3.073) 3.975 7.943 ( -1.727 1.459 -3.436) 4.113 8.123 ( -1.910 -0.334 -0.652) 2.046 8.240 ( -1.996 0.445 1.270) 2.408 8.388 ( 0.342 -0.620 0.933) 1.171 8.483 ( 1.081 -1.549 0.232) 1.903 8.584 ( 3.536 -3.446 -0.689) 4.985 8.614 ( 0.903 -1.574 -0.006) 1.815 8.700 ( -3.644 -3.338 -0.797) 5.006 8.883 ( -4.866 -3.884 -3.469) 7.127 9.084 ( 0.281 -2.153 1.504) 2.641 9.267 ( 1.400 -2.188 -0.189) 2.605 ======================= Grid point 100 (38/70) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -3.835 10.463 -2.015) 11.325 0.685 ( -0.053 6.290 1.881) 6.565 0.829 ( 2.549 -1.889 -5.045) 5.960 0.879 ( 0.708 0.012 0.883) 1.132 0.987 ( 0.478 7.006 1.428) 7.166 1.052 ( -1.336 7.077 -3.889) 8.185 1.295 ( 3.024 -2.227 -0.319) 3.769 1.317 ( -1.226 4.091 -0.963) 4.378 1.398 ( -3.687 -0.961 4.366) 5.795 1.431 ( 1.624 5.458 -0.149) 5.696 1.481 ( -1.354 7.799 2.417) 8.276 1.518 ( 0.878 -0.635 -1.808) 2.108 1.633 ( 2.010 -0.594 2.500) 3.263 1.660 ( 1.410 13.778 0.877) 13.878 1.733 ( -3.395 6.032 -3.004) 7.546 1.791 ( -0.156 8.698 -0.513) 8.714 1.893 ( 0.457 2.973 -0.267) 3.020 1.956 ( 0.682 -0.052 2.451) 2.544 1.972 ( 0.413 0.037 -0.229) 0.473 2.007 ( 0.281 9.730 2.455) 10.039 2.073 ( -2.131 4.111 0.580) 4.666 2.148 ( -1.711 9.618 -3.848) 10.499 2.189 ( 2.141 12.506 -0.477) 12.697 2.352 ( 1.583 14.053 0.285) 14.145 2.404 ( -2.459 13.267 1.192) 13.545 2.464 ( 2.258 11.588 0.479) 11.815 2.588 ( 5.794 1.189 -1.720) 6.160 2.655 ( -3.021 0.759 -2.531) 4.013 2.770 ( -4.691 3.318 2.674) 6.338 2.837 ( 1.157 -0.195 1.802) 2.151 3.226 ( 0.224 18.737 0.796) 18.755 3.446 ( -0.539 -3.551 0.815) 3.683 3.504 ( 0.773 3.106 -3.284) 4.586 3.627 ( 0.168 1.725 0.647) 1.850 4.367 ( -0.382 -5.929 -0.429) 5.957 4.642 ( 0.099 4.647 -0.291) 4.657 4.815 ( -0.466 -0.611 1.078) 1.324 5.046 ( -0.156 13.323 -0.385) 13.329 5.163 ( 0.289 -3.387 0.454) 3.430 5.442 ( 0.996 -4.206 -0.388) 4.339 5.535 ( -3.027 2.293 -3.093) 4.898 5.732 ( -1.538 9.561 -0.579) 9.701 5.846 ( 6.228 -8.023 2.899) 10.562 5.932 ( -8.033 -10.043 -1.668) 12.968 6.018 ( 3.603 -5.669 0.882) 6.775 6.142 ( -0.071 2.105 0.262) 2.123 6.282 ( 6.165 3.508 2.806) 7.628 6.365 ( 0.237 5.764 1.331) 5.921 6.419 ( 2.678 3.410 0.064) 4.337 6.496 ( -7.994 13.287 -1.946) 15.629 6.635 ( 0.059 -4.920 -0.121) 4.922 6.681 ( 0.464 -1.650 -0.961) 1.965 6.731 ( -0.750 1.480 -3.612) 3.975 6.892 ( -1.707 4.366 0.492) 4.713 7.008 ( 1.371 -1.171 -0.481) 1.866 7.048 ( -0.278 -2.425 -2.396) 3.421 7.144 ( 1.211 1.404 2.399) 3.032 7.203 ( 0.975 -1.545 2.747) 3.300 7.270 ( -0.802 1.826 1.080) 2.268 7.305 ( 1.949 4.513 0.552) 4.947 7.462 ( 1.549 7.828 0.578) 8.001 7.516 ( 0.462 1.467 0.454) 1.604 7.540 ( -1.275 2.753 -1.048) 3.210 7.622 ( 4.491 5.171 -0.092) 6.850 7.626 ( -4.215 7.321 -0.055) 8.448 7.788 ( -2.135 5.392 0.673) 5.838 7.868 ( -0.684 1.530 1.612) 2.326 7.932 ( 1.563 1.226 -3.225) 3.788 8.114 ( 0.342 -1.480 -0.015) 1.519 8.222 ( -0.284 0.821 1.012) 1.334 8.397 ( 0.273 -1.022 1.283) 1.663 8.496 ( 0.055 -1.659 0.576) 1.757 8.616 ( -0.054 -1.289 -1.008) 1.637 8.631 ( 0.512 -2.829 0.021) 2.875 8.686 ( 2.299 -4.099 2.886) 5.515 8.785 ( -4.004 -5.059 -5.830) 8.695 9.092 ( 0.201 -1.578 0.952) 1.854 9.281 ( -0.011 -2.214 -0.102) 2.216 ======================= Grid point 101 (39/70) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -4.165 11.457 5.123) 13.223 0.618 ( -3.865 2.640 -2.011) 5.095 0.749 ( -10.086 5.281 -1.050) 11.433 0.912 ( 4.215 4.500 -2.508) 6.656 0.995 ( -2.668 1.382 -1.564) 3.387 1.058 ( 2.534 8.628 0.067) 8.993 1.180 ( -4.264 0.282 0.113) 4.275 1.301 ( -6.624 1.962 1.065) 6.990 1.352 ( -0.492 9.623 -1.044) 9.692 1.473 ( 0.293 4.353 6.162) 7.551 1.502 ( 1.578 -1.210 -0.140) 1.993 1.541 ( -0.117 9.243 -3.023) 9.725 1.646 ( -3.894 9.266 2.214) 10.292 1.689 ( 1.692 4.673 -3.601) 6.137 1.756 ( 0.982 8.543 3.890) 9.438 1.784 ( -6.154 11.342 -4.304) 13.603 1.828 ( 4.058 1.638 2.281) 4.935 1.958 ( -0.325 1.568 0.659) 1.732 1.980 ( 0.402 -0.444 -0.238) 0.644 2.010 ( -1.776 -0.653 1.342) 2.320 2.030 ( 1.241 7.652 0.193) 7.755 2.131 ( -0.842 7.681 -0.944) 7.784 2.154 ( -1.771 6.662 -4.018) 7.979 2.352 ( -2.791 15.885 1.725) 16.220 2.383 ( 0.908 12.506 0.660) 12.556 2.495 ( -4.191 9.499 -2.893) 10.778 2.557 ( 6.795 4.701 -0.902) 8.312 2.720 ( 1.840 -0.023 4.137) 4.527 2.775 ( 1.502 -0.006 2.274) 2.726 2.895 ( 4.102 0.078 -2.447) 4.777 3.238 ( 1.342 21.457 0.170) 21.500 3.483 ( 2.976 -4.932 0.661) 5.798 3.606 ( 5.190 1.867 -0.310) 5.524 3.689 ( 11.609 2.145 -1.041) 11.851 4.355 ( -0.383 -5.312 0.535) 5.353 4.641 ( -0.125 4.481 -0.347) 4.496 4.790 ( -2.676 -0.952 1.438) 3.183 5.047 ( -0.869 7.914 0.230) 7.965 5.138 ( -2.519 0.756 -0.481) 2.673 5.309 ( -13.922 -3.681 -1.715) 14.502 5.461 ( -4.742 2.468 2.343) 5.837 5.656 ( -7.883 -2.410 0.334) 8.250 5.762 ( -0.056 5.696 0.791) 5.751 5.932 ( -5.142 -2.079 -0.303) 5.555 6.102 ( 4.769 -7.584 1.990) 9.177 6.169 ( -2.174 0.033 -6.639) 6.986 6.228 ( -3.553 7.903 -0.693) 8.693 6.291 ( -3.983 10.149 -0.815) 10.933 6.402 ( -0.720 1.545 2.261) 2.831 6.542 ( 2.285 0.383 -1.311) 2.662 6.657 ( 6.026 0.656 5.521) 8.199 6.743 ( 1.838 0.894 -2.847) 3.505 6.775 ( 6.371 -1.510 -0.462) 6.564 6.897 ( 1.565 4.294 3.778) 5.930 7.013 ( -0.821 0.473 -2.833) 2.988 7.039 ( 0.588 -2.886 -1.357) 3.242 7.160 ( -0.181 -1.118 -0.046) 1.134 7.217 ( 0.082 -2.849 -0.843) 2.972 7.272 ( 0.848 4.869 1.998) 5.330 7.323 ( 0.123 3.703 -3.238) 4.921 7.476 ( -0.556 5.710 -3.252) 6.594 7.489 ( -2.114 3.175 0.817) 3.901 7.515 ( -2.320 3.630 0.488) 4.336 7.576 ( -0.506 6.538 -1.329) 6.691 7.733 ( 5.499 4.335 4.369) 8.253 7.776 ( 0.960 1.514 1.353) 2.246 7.891 ( 2.629 1.796 0.896) 3.307 7.966 ( 4.034 5.654 -3.661) 7.851 8.120 ( 0.649 -1.207 -0.437) 1.438 8.238 ( 1.502 0.707 1.425) 2.188 8.407 ( 0.282 -1.258 0.070) 1.291 8.485 ( -1.463 -1.508 0.177) 2.109 8.604 ( -1.416 -0.319 -2.177) 2.616 8.617 ( -2.385 -4.192 -1.238) 4.980 8.704 ( -0.063 -3.661 -1.874) 4.113 8.776 ( 4.674 -3.478 5.045) 7.707 9.100 ( 0.259 -1.885 0.254) 1.920 9.265 ( -1.567 -2.219 -0.054) 2.718 ======================= Grid point 102 (40/70) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -0.894 12.737 5.218) 13.794 0.508 ( -7.930 12.494 1.365) 14.861 0.693 ( 5.306 4.932 -2.086) 7.538 0.855 ( -6.468 1.468 -7.226) 9.809 0.941 ( -2.305 11.146 0.351) 11.387 1.084 ( -5.257 12.703 10.265) 17.158 1.183 ( -1.227 3.327 -2.213) 4.180 1.193 ( 2.316 0.818 1.090) 2.687 1.332 ( -0.956 10.888 -0.837) 10.962 1.365 ( -10.740 7.623 -0.312) 13.173 1.462 ( -2.601 9.506 1.980) 10.052 1.556 ( 2.101 7.389 1.134) 7.765 1.618 ( 1.999 4.579 1.586) 5.242 1.688 ( -0.333 6.416 -1.997) 6.727 1.741 ( -1.886 8.633 -0.711) 8.865 1.789 ( -0.687 5.488 -1.893) 5.846 1.842 ( -3.665 0.658 1.810) 4.140 1.905 ( -5.607 10.331 -11.657) 16.555 1.938 ( -1.157 2.203 0.286) 2.505 1.999 ( 0.169 -0.407 -0.127) 0.459 2.058 ( 4.950 -0.763 1.151) 5.139 2.126 ( 4.098 4.157 -1.287) 5.977 2.228 ( 4.806 5.939 -0.563) 7.660 2.330 ( -1.147 8.144 -0.333) 8.231 2.396 ( -0.625 11.558 0.638) 11.592 2.462 ( 0.278 5.255 5.668) 7.734 2.668 ( 2.915 0.024 -0.092) 2.917 2.752 ( -0.405 0.803 6.045) 6.111 2.805 ( 4.162 4.956 -0.816) 6.523 2.952 ( 3.511 -1.326 -4.731) 6.039 3.292 ( 5.144 22.478 -3.465) 23.317 3.520 ( 0.153 -4.767 -0.038) 4.769 3.652 ( 1.267 3.771 1.592) 4.285 3.999 ( 17.480 -1.501 -0.380) 17.548 4.384 ( 3.722 -3.551 0.915) 5.225 4.634 ( -0.573 3.821 0.069) 3.864 4.740 ( -2.521 -1.904 0.946) 3.298 4.935 ( -11.332 -4.123 0.654) 12.076 5.039 ( -11.249 3.493 0.800) 11.806 5.106 ( -3.277 4.553 -0.481) 5.630 5.343 ( -7.478 2.629 -1.335) 8.038 5.544 ( -3.877 0.548 0.472) 3.944 5.798 ( 0.476 7.290 0.205) 7.309 5.842 ( -2.071 4.778 -1.221) 5.349 6.003 ( -3.319 2.278 -2.480) 4.728 6.169 ( -4.406 6.166 -0.574) 7.600 6.171 ( 0.162 1.968 2.289) 3.023 6.286 ( 0.210 8.166 -0.187) 8.171 6.463 ( 5.080 -2.812 0.221) 5.810 6.536 ( 0.947 -3.163 -3.476) 4.794 6.715 ( -3.333 -2.247 -5.884) 7.126 6.783 ( 1.324 0.842 3.300) 3.654 6.824 ( 0.657 1.023 -4.314) 4.483 6.907 ( -7.801 1.854 -6.425) 10.275 7.012 ( 2.654 4.306 1.781) 5.363 7.051 ( 3.641 0.880 4.918) 6.182 7.157 ( 0.253 -3.783 1.361) 4.029 7.230 ( 1.986 -1.333 -2.695) 3.603 7.260 ( -0.881 5.128 -2.494) 5.770 7.343 ( 3.311 2.664 0.471) 4.276 7.435 ( -3.168 2.462 -0.221) 4.019 7.465 ( 0.171 6.433 -1.519) 6.612 7.476 ( -1.416 5.390 0.179) 5.576 7.552 ( -1.595 5.881 -1.911) 6.386 7.758 ( -1.755 -0.006 4.932) 5.235 7.900 ( 7.519 -0.633 1.037) 7.616 7.941 ( 1.147 2.167 0.571) 2.518 8.052 ( 6.956 5.468 -6.968) 11.262 8.167 ( 4.762 1.362 1.179) 5.091 8.288 ( 2.780 0.013 1.481) 3.150 8.370 ( -4.807 -1.579 -1.688) 5.334 8.461 ( -0.112 -0.145 0.008) 0.183 8.525 ( -2.644 -1.090 -2.449) 3.765 8.594 ( -0.926 -1.138 -0.211) 1.482 8.764 ( 5.597 -3.322 2.762) 7.071 8.898 ( 5.375 -2.373 6.684) 8.899 9.097 ( -0.552 -2.566 -0.574) 2.687 9.232 ( -1.681 -2.045 0.264) 2.660 ======================= Grid point 103 (41/70) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -1.555 14.102 -3.285) 14.563 0.754 ( 1.305 14.048 -4.120) 14.698 0.901 ( 1.330 13.099 -1.685) 13.274 0.982 ( 0.087 8.937 1.539) 9.069 1.169 ( -4.015 18.139 -0.275) 18.580 1.219 ( 0.688 4.564 1.339) 4.806 1.277 ( 2.314 5.944 1.500) 6.553 1.304 ( 0.460 4.465 -0.219) 4.494 1.438 ( 0.169 3.833 1.059) 3.980 1.501 ( -3.076 5.539 -3.761) 7.368 1.648 ( 1.158 3.494 1.411) 3.943 1.705 ( 2.048 5.935 4.687) 7.835 1.721 ( -0.801 2.555 -0.041) 2.678 1.784 ( -0.184 4.187 -0.207) 4.196 1.873 ( 1.996 16.935 5.726) 17.988 1.931 ( 2.267 5.624 3.460) 6.982 1.991 ( -0.587 10.080 -1.049) 10.152 2.013 ( -1.895 4.101 -2.117) 4.990 2.024 ( -0.470 11.027 -1.985) 11.214 2.099 ( -2.707 9.776 -3.998) 10.904 2.154 ( 2.374 8.040 -1.138) 8.460 2.297 ( -0.486 7.354 -1.187) 7.465 2.313 ( -0.190 10.220 -2.703) 10.574 2.506 ( -2.167 8.785 1.238) 9.133 2.560 ( 1.224 7.691 -1.044) 7.858 2.611 ( 0.101 -1.454 -0.507) 1.543 2.638 ( 0.884 5.548 1.417) 5.793 2.839 ( -1.216 6.232 7.113) 9.535 2.964 ( 1.190 5.464 -4.646) 7.270 3.042 ( -0.036 7.849 -0.260) 7.854 3.390 ( -0.179 -4.239 0.114) 4.244 3.419 ( -0.118 -3.347 -1.384) 3.624 3.881 ( -1.031 7.061 -0.003) 7.136 4.091 ( -0.010 -5.274 0.010) 5.274 4.471 ( -0.224 2.446 0.517) 2.510 4.637 ( 0.009 -0.353 -0.634) 0.726 4.723 ( 3.889 -0.513 1.566) 4.223 4.761 ( -3.665 2.650 -0.233) 4.529 4.992 ( 0.699 -0.081 0.545) 0.890 5.173 ( 1.750 14.803 -2.497) 15.114 5.367 ( -1.655 3.250 1.613) 3.988 5.718 ( 0.300 12.812 2.510) 13.059 5.826 ( 1.009 4.709 -1.612) 5.079 5.889 ( -1.689 -3.350 -2.083) 4.291 6.153 ( 3.066 1.541 4.312) 5.511 6.239 ( 3.895 12.593 0.611) 13.195 6.275 ( -7.840 2.741 -3.736) 9.107 6.324 ( 0.360 2.269 0.881) 2.460 6.420 ( 1.535 -0.005 -2.815) 3.206 6.581 ( 1.288 2.762 3.713) 4.804 6.685 ( -3.441 0.062 -4.881) 5.973 6.759 ( 0.582 3.929 -0.408) 3.993 6.862 ( -0.699 3.828 -3.831) 5.461 6.904 ( 1.210 -0.005 4.256) 4.425 6.995 ( -0.706 0.024 -3.381) 3.454 7.119 ( -0.350 -0.511 1.986) 2.080 7.197 ( -0.181 1.527 -5.245) 5.466 7.282 ( -0.788 2.143 4.514) 5.059 7.363 ( 0.509 3.950 -0.004) 3.982 7.419 ( -0.696 2.819 -1.293) 3.179 7.506 ( 6.093 4.779 2.401) 8.107 7.580 ( -1.346 6.117 -0.225) 6.268 7.617 ( -1.736 7.453 -1.134) 7.736 7.633 ( -0.618 7.128 -1.369) 7.284 7.800 ( 0.632 3.800 3.054) 4.916 7.922 ( -3.815 -1.290 0.643) 4.078 7.963 ( 2.962 -0.976 -0.559) 3.168 8.136 ( -1.005 -1.155 -2.874) 3.257 8.212 ( -0.442 -2.009 0.122) 2.060 8.237 ( -0.017 0.860 -0.116) 0.868 8.299 ( 0.424 0.286 -0.555) 0.755 8.471 ( 0.649 -0.412 1.065) 1.314 8.504 ( -0.406 -0.492 -1.590) 1.713 8.545 ( -0.550 -3.270 -2.238) 4.000 8.788 ( 1.558 -4.708 0.332) 4.971 8.935 ( 0.337 -2.469 6.520) 6.980 9.023 ( -0.232 -2.249 -2.531) 3.393 9.170 ( 0.101 -2.957 0.384) 2.983 ======================= Grid point 104 (42/70) ======================= q-point: ( 0.17 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 1.040 13.070 0.115) 13.112 0.751 ( -0.651 14.273 -3.731) 14.767 0.892 ( -0.672 11.324 -2.403) 11.596 0.987 ( 0.381 13.064 0.624) 13.084 1.114 ( -0.079 11.271 3.676) 11.856 1.243 ( -0.243 5.639 1.344) 5.802 1.279 ( -2.223 3.125 -2.554) 4.608 1.351 ( 3.962 6.233 -3.894) 8.349 1.405 ( -3.388 2.280 4.173) 5.839 1.469 ( -0.078 5.295 1.433) 5.486 1.668 ( -0.342 4.208 -1.214) 4.393 1.676 ( -2.129 2.916 -0.608) 3.662 1.769 ( 2.513 0.272 1.427) 2.903 1.816 ( 2.037 2.606 -0.119) 3.310 1.931 ( -0.915 4.930 -1.238) 5.165 1.966 ( -0.513 10.270 -1.453) 10.385 1.989 ( 1.518 7.486 1.614) 7.807 2.004 ( 2.347 16.936 3.911) 17.540 2.064 ( 3.766 7.491 0.033) 8.385 2.071 ( 1.314 11.550 0.739) 11.648 2.165 ( 1.301 10.569 -4.790) 11.676 2.223 ( -1.859 10.340 -0.166) 10.508 2.345 ( -0.708 7.966 -0.707) 8.028 2.458 ( -0.281 9.687 1.202) 9.765 2.607 ( 0.019 2.554 -0.403) 2.585 2.622 ( 3.593 3.677 -0.326) 5.151 2.655 ( 0.660 4.851 0.042) 4.896 2.834 ( -1.735 4.957 5.312) 7.470 2.951 ( -0.598 8.837 -4.379) 9.880 2.993 ( -4.357 8.563 -0.061) 9.608 3.384 ( -0.565 -2.430 0.890) 2.649 3.431 ( 1.145 -4.012 -0.882) 4.264 3.891 ( 1.483 11.599 1.342) 11.770 3.977 ( -10.848 -0.618 -0.003) 10.866 4.369 ( -7.297 3.270 0.137) 7.997 4.658 ( 2.790 -2.461 -1.150) 3.894 4.755 ( 0.749 3.984 1.088) 4.197 4.857 ( 8.397 -2.760 0.580) 8.858 5.093 ( 8.741 -0.790 -0.401) 8.786 5.279 ( 8.798 8.639 -5.067) 13.331 5.382 ( 2.665 4.271 4.675) 6.870 5.704 ( -2.029 12.518 -0.146) 12.683 5.839 ( -0.491 -2.118 0.273) 2.191 5.891 ( 3.182 3.299 -0.193) 4.587 6.115 ( -5.501 9.060 -2.563) 10.905 6.178 ( -1.454 1.065 0.620) 1.906 6.305 ( 1.513 -0.728 1.325) 2.139 6.399 ( 5.452 6.347 -0.979) 8.424 6.456 ( 3.019 1.823 -1.671) 3.902 6.563 ( -5.885 -2.031 -2.563) 6.732 6.610 ( 0.235 7.327 6.137) 9.561 6.785 ( 1.421 2.584 -1.007) 3.116 6.879 ( 1.846 -0.259 -0.302) 1.888 6.937 ( 1.255 -0.216 4.434) 4.613 6.947 ( -2.383 2.506 -6.068) 6.984 7.101 ( -2.563 0.172 2.357) 3.487 7.172 ( 0.028 0.798 -2.385) 2.515 7.247 ( -3.702 -0.383 3.723) 5.264 7.348 ( -2.641 6.210 -1.562) 6.927 7.395 ( -1.933 3.997 -1.534) 4.698 7.524 ( -0.931 3.518 -4.657) 5.910 7.608 ( 0.708 7.273 2.458) 7.710 7.635 ( 2.069 5.223 2.139) 6.012 7.645 ( 4.552 7.199 -1.588) 8.664 7.816 ( -0.454 3.345 -0.959) 3.509 7.873 ( -1.173 -1.081 5.006) 5.254 7.974 ( -1.515 2.429 -1.186) 3.099 8.069 ( -3.741 2.405 -1.064) 4.573 8.203 ( -2.595 0.737 0.192) 2.704 8.238 ( 1.202 -1.592 0.711) 2.118 8.341 ( 2.796 -1.039 -0.654) 3.053 8.463 ( -2.256 -0.656 0.015) 2.350 8.482 ( 0.481 -1.477 -1.192) 1.958 8.547 ( 0.980 -3.480 -0.319) 3.630 8.726 ( -5.751 -3.779 -1.503) 7.043 8.932 ( -4.862 -2.417 3.503) 6.462 9.009 ( 1.033 -2.463 -1.334) 2.986 9.186 ( 1.461 -2.941 -0.119) 3.286 ======================= Grid point 105 (43/70) ======================= q-point: ( 0.33 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 4.086 10.480 1.126) 11.305 0.751 ( 3.756 13.022 -2.373) 13.759 0.869 ( -0.405 8.118 -1.487) 8.263 1.000 ( -3.871 7.300 1.213) 8.352 1.124 ( 1.869 10.206 0.717) 10.400 1.226 ( -0.639 3.375 -0.257) 3.444 1.236 ( -1.324 6.686 -2.327) 7.202 1.378 ( -1.416 1.546 5.764) 6.134 1.412 ( 4.196 2.836 -1.449) 5.268 1.484 ( 0.401 3.882 0.985) 4.025 1.612 ( -1.557 9.675 -1.203) 9.873 1.677 ( -0.397 3.228 -0.995) 3.401 1.729 ( -6.253 3.574 2.011) 7.478 1.857 ( 1.528 -0.291 -0.011) 1.556 1.908 ( -0.264 0.381 -1.243) 1.327 1.957 ( 0.338 9.140 -1.536) 9.275 1.984 ( -0.648 6.626 0.700) 6.694 1.993 ( -4.821 6.167 -5.214) 9.405 2.073 ( 0.687 11.304 -0.560) 11.339 2.137 ( 1.929 8.961 7.540) 11.869 2.197 ( 0.884 9.985 -3.703) 10.686 2.299 ( 1.248 8.357 0.780) 8.485 2.330 ( 7.147 12.991 1.730) 14.928 2.514 ( 5.817 9.988 -1.222) 11.623 2.614 ( 0.856 2.731 0.048) 2.863 2.661 ( 1.650 7.280 -0.904) 7.519 2.686 ( 1.419 6.022 1.187) 6.300 2.822 ( -1.408 4.092 1.537) 4.592 2.863 ( -6.251 14.358 0.310) 15.663 2.956 ( -0.174 9.163 -1.767) 9.333 3.363 ( -2.195 -3.751 1.426) 4.574 3.451 ( 1.314 -0.351 -1.052) 1.720 3.765 ( -10.022 6.222 0.397) 11.803 3.922 ( 0.981 22.946 0.706) 22.978 4.268 ( -3.414 -2.569 -0.141) 4.274 4.702 ( 1.303 0.719 -1.815) 2.347 4.783 ( 1.933 0.907 2.382) 3.199 4.996 ( 5.914 -5.985 0.339) 8.421 5.244 ( 6.030 1.310 -0.897) 6.236 5.341 ( 1.887 2.573 -4.513) 5.528 5.531 ( 7.700 4.010 2.528) 9.043 5.678 ( 2.128 4.923 -0.122) 5.364 5.872 ( 2.035 0.386 4.426) 4.887 5.905 ( -3.120 -2.176 -2.577) 4.594 6.035 ( -3.071 11.123 -2.275) 11.761 6.170 ( 2.109 6.270 2.927) 7.234 6.298 ( -2.313 -3.166 -0.925) 4.028 6.418 ( -0.522 2.431 -2.107) 3.259 6.505 ( 1.971 6.703 -0.664) 7.018 6.533 ( 2.970 0.694 0.596) 3.108 6.653 ( 1.401 1.938 3.440) 4.189 6.745 ( -5.650 0.008 -0.050) 5.650 6.864 ( -1.883 -0.767 -6.200) 6.525 6.917 ( -0.312 1.860 2.687) 3.283 7.000 ( 3.322 -0.619 0.616) 3.435 7.068 ( -1.811 1.443 0.684) 2.415 7.168 ( -0.659 2.453 1.605) 3.005 7.198 ( -3.403 0.892 -1.591) 3.861 7.251 ( -1.657 1.266 0.065) 2.086 7.389 ( 0.386 5.606 2.159) 6.020 7.511 ( 0.425 1.570 -3.041) 3.448 7.635 ( 0.241 6.192 1.801) 6.453 7.647 ( 0.717 6.907 -0.883) 7.000 7.726 ( 2.760 7.675 0.656) 8.183 7.795 ( 0.022 3.015 -1.041) 3.190 7.888 ( -0.909 3.004 -1.394) 3.434 7.944 ( -0.628 3.892 5.863) 7.066 7.999 ( -2.932 4.249 -1.533) 5.386 8.142 ( -3.718 2.389 -0.246) 4.427 8.246 ( -0.503 -0.144 0.884) 1.027 8.365 ( 0.162 -1.718 -0.035) 1.726 8.447 ( 0.656 -1.596 -0.071) 1.727 8.512 ( 3.195 -2.718 -0.491) 4.223 8.560 ( 0.190 -4.463 -0.996) 4.577 8.631 ( -3.326 -2.767 -0.115) 4.328 8.813 ( -6.788 -2.084 -2.126) 7.412 9.036 ( 1.080 -2.540 1.447) 3.117 9.212 ( 1.319 -3.116 -0.515) 3.423 ======================= Grid point 106 (44/70) ======================= q-point: (-0.50 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.282 13.145 -0.633) 13.163 0.831 ( -0.389 3.879 -3.454) 5.209 0.897 ( 4.411 7.983 1.088) 9.185 0.906 ( -1.386 8.594 0.668) 8.731 1.110 ( -2.769 5.567 3.251) 7.016 1.197 ( -0.671 6.372 -3.952) 7.528 1.267 ( 0.711 0.195 -0.706) 1.021 1.405 ( 1.499 2.137 4.817) 5.479 1.437 ( 0.514 9.662 -0.588) 9.693 1.480 ( -0.785 1.894 -0.147) 2.056 1.634 ( -2.723 6.602 2.655) 7.619 1.662 ( 2.508 4.946 1.435) 5.728 1.679 ( 3.887 9.503 0.278) 10.271 1.833 ( -4.872 3.562 -6.919) 9.181 1.862 ( 0.613 -1.441 -1.474) 2.151 1.936 ( 0.292 -1.730 -0.732) 1.901 1.967 ( -1.634 7.431 0.509) 7.626 1.983 ( 1.061 10.282 0.074) 10.337 2.075 ( -0.935 12.858 0.866) 12.921 2.143 ( -0.760 4.693 1.417) 4.961 2.228 ( 1.674 9.823 2.922) 10.384 2.291 ( -0.587 4.185 -2.398) 4.859 2.445 ( 0.743 10.745 1.619) 10.892 2.604 ( -0.569 5.176 -1.949) 5.560 2.655 ( 4.840 6.124 0.194) 7.808 2.666 ( -1.483 7.605 0.120) 7.750 2.670 ( -2.937 9.889 -0.936) 10.358 2.773 ( 1.423 16.442 1.741) 16.595 2.846 ( 1.178 2.393 -1.083) 2.879 2.930 ( -2.050 14.123 0.965) 14.304 3.339 ( -0.309 -3.559 0.955) 3.698 3.460 ( 0.412 1.347 -1.356) 1.955 3.671 ( 0.201 8.980 0.845) 9.022 3.932 ( -0.090 29.985 0.416) 29.988 4.237 ( -0.094 -7.541 -0.203) 7.544 4.702 ( -0.086 1.535 -1.270) 1.994 4.815 ( -0.078 0.485 1.886) 1.949 5.057 ( -0.021 -7.109 0.309) 7.115 5.270 ( -0.170 6.627 -1.224) 6.741 5.370 ( -0.300 -2.336 -1.607) 2.851 5.606 ( 0.118 2.942 0.397) 2.971 5.737 ( -1.468 -7.352 -0.504) 7.514 5.820 ( -2.427 9.022 0.177) 9.344 5.888 ( 3.050 -1.162 -0.157) 3.268 6.009 ( -0.015 9.108 -0.121) 9.109 6.208 ( -0.570 4.462 0.089) 4.499 6.344 ( 6.625 2.652 6.936) 9.951 6.417 ( 0.743 -1.444 -1.689) 2.343 6.492 ( -3.380 4.237 -3.742) 6.587 6.570 ( -1.442 0.962 1.243) 2.133 6.652 ( 1.522 0.053 0.653) 1.657 6.695 ( -4.549 3.473 0.870) 5.789 6.777 ( 1.670 1.798 -7.557) 7.945 6.932 ( 0.431 2.080 4.871) 5.314 7.025 ( 0.070 2.093 -2.091) 2.959 7.034 ( -1.129 0.735 -2.856) 3.158 7.151 ( -1.233 -1.781 1.502) 2.636 7.177 ( 1.098 -0.435 -0.618) 1.333 7.291 ( 2.231 1.151 5.331) 5.892 7.407 ( 0.845 4.804 -0.947) 4.968 7.514 ( 0.607 0.161 -0.035) 0.629 7.605 ( -1.997 3.772 -2.400) 4.897 7.667 ( 0.422 9.555 1.898) 9.751 7.752 ( -0.061 8.070 0.222) 8.074 7.808 ( 0.990 8.233 0.279) 8.297 7.855 ( -1.229 2.047 -1.351) 2.744 7.947 ( -1.797 4.933 2.404) 5.774 7.981 ( 2.489 4.107 -0.118) 4.804 8.100 ( -0.081 1.272 -0.126) 1.281 8.244 ( -0.058 0.935 0.530) 1.076 8.364 ( 0.060 -2.299 0.142) 2.304 8.460 ( 0.234 -1.438 0.118) 1.461 8.533 ( -0.923 -5.490 -1.563) 5.782 8.595 ( 3.656 -2.212 1.463) 4.516 8.614 ( 1.250 -1.841 1.946) 2.956 8.687 ( -5.246 -3.474 -4.718) 7.865 9.054 ( 0.404 -2.039 1.094) 2.349 9.223 ( -0.055 -3.380 -0.479) 3.414 ======================= Grid point 107 (45/70) ======================= q-point: (-0.33 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -0.616 14.312 -0.597) 14.338 0.751 ( -2.909 11.856 -2.079) 12.383 0.869 ( -1.985 6.647 -1.313) 7.061 1.019 ( 4.104 7.138 -0.593) 8.255 1.106 ( 0.527 9.895 2.733) 10.279 1.196 ( 1.481 3.970 1.944) 4.662 1.230 ( -1.531 3.820 -1.228) 4.295 1.385 ( -5.553 6.720 -2.235) 8.999 1.481 ( 3.716 1.015 1.533) 4.146 1.489 ( 1.458 2.748 0.453) 3.144 1.586 ( -0.165 10.004 -0.143) 10.007 1.691 ( -1.658 2.957 -2.246) 4.067 1.787 ( 2.029 4.479 -0.724) 4.970 1.801 ( 4.112 3.122 2.177) 5.603 1.886 ( 0.933 1.388 -0.801) 1.854 1.933 ( -0.386 9.017 1.045) 9.086 1.937 ( 0.857 -0.658 0.279) 1.116 1.992 ( 0.024 6.615 0.052) 6.615 2.050 ( -1.918 13.785 1.141) 13.964 2.129 ( -2.373 9.138 2.026) 9.656 2.249 ( -1.841 9.656 -2.000) 10.031 2.282 ( 2.376 5.874 0.449) 6.352 2.374 ( -5.687 14.559 -0.162) 15.632 2.530 ( -3.605 5.606 -2.729) 7.202 2.619 ( -1.367 3.387 -0.427) 3.677 2.643 ( -2.393 11.945 1.068) 12.229 2.707 ( 0.545 4.525 -0.985) 4.663 2.811 ( -3.884 7.125 2.938) 8.631 2.872 ( 6.452 12.860 -0.233) 14.390 2.942 ( 2.439 8.075 -1.113) 8.508 3.366 ( 2.530 -5.003 1.173) 5.728 3.452 ( -1.130 0.110 -1.122) 1.597 3.773 ( 9.853 6.543 -0.079) 11.828 3.923 ( -1.027 22.768 0.700) 22.802 4.266 ( 3.542 -1.840 -0.005) 3.991 4.688 ( -1.419 0.460 -0.650) 1.627 4.796 ( -2.226 1.271 1.307) 2.877 5.000 ( -5.662 -5.750 0.095) 8.071 5.234 ( -8.257 -0.002 -0.468) 8.271 5.286 ( -2.751 4.247 -0.328) 5.071 5.540 ( -4.742 3.149 1.200) 5.817 5.695 ( -4.240 8.310 -1.119) 9.396 5.830 ( 4.353 -4.607 3.050) 7.034 5.959 ( -1.784 2.845 -1.538) 3.693 6.020 ( 4.763 6.857 -1.111) 8.423 6.210 ( 0.186 3.271 0.682) 3.346 6.339 ( -5.763 3.368 -6.141) 9.070 6.428 ( 1.296 0.006 -2.505) 2.821 6.457 ( -0.171 3.447 4.265) 5.486 6.540 ( -4.254 6.548 -0.790) 7.848 6.644 ( 2.921 -3.029 6.543) 7.779 6.712 ( 4.104 -0.603 -0.918) 4.249 6.852 ( 3.596 3.248 -3.493) 5.973 6.977 ( -0.119 0.201 2.024) 2.037 6.989 ( 0.713 0.694 -0.621) 1.173 7.042 ( 3.126 3.667 -0.343) 4.831 7.128 ( -1.043 -1.362 1.678) 2.400 7.205 ( 1.497 0.014 -1.194) 1.915 7.337 ( 1.164 1.653 0.421) 2.065 7.402 ( -0.042 4.491 -3.532) 5.713 7.504 ( -1.800 0.764 -1.024) 2.207 7.589 ( 0.301 4.056 2.052) 4.555 7.672 ( -0.497 9.996 0.327) 10.014 7.734 ( -1.570 8.468 -0.207) 8.614 7.797 ( -2.955 0.289 -0.883) 3.098 7.845 ( 1.423 6.295 2.022) 6.763 7.963 ( 3.066 5.233 1.899) 6.355 8.045 ( 1.616 1.761 -2.637) 3.559 8.135 ( 4.993 3.357 0.424) 6.032 8.249 ( 0.611 0.013 0.697) 0.927 8.370 ( 0.270 -2.520 -0.266) 2.549 8.447 ( -1.669 -1.946 -0.007) 2.564 8.517 ( -1.174 -5.200 -0.391) 5.345 8.586 ( -1.413 -1.393 -5.433) 5.784 8.628 ( 1.213 -3.056 0.666) 3.354 8.720 ( 6.070 -1.426 5.204) 8.121 9.060 ( -0.055 -1.893 -0.096) 1.896 9.206 ( -1.484 -3.497 -0.194) 3.804 ======================= Grid point 108 (46/70) ======================= q-point: (-0.17 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -1.030 8.811 -3.148) 9.413 0.747 ( 1.983 19.109 -4.035) 19.630 0.862 ( 1.605 11.684 0.267) 11.797 1.001 ( -2.233 10.027 -0.222) 10.275 1.153 ( 0.740 12.270 0.663) 12.310 1.229 ( 2.319 2.754 1.666) 3.967 1.257 ( 2.846 5.865 3.855) 7.574 1.289 ( -2.976 7.751 -3.115) 8.868 1.471 ( -3.226 5.293 -0.260) 6.204 1.544 ( 2.335 1.900 -6.012) 6.723 1.616 ( 1.079 3.017 4.200) 5.283 1.666 ( 0.843 6.792 -0.180) 6.846 1.752 ( -4.537 5.129 2.505) 7.291 1.795 ( -2.107 4.374 1.828) 5.188 1.888 ( -1.154 9.865 2.870) 10.338 1.913 ( -1.937 4.475 -0.291) 4.885 1.992 ( 0.498 4.977 -0.082) 5.002 2.027 ( -0.036 8.322 0.737) 8.355 2.048 ( 3.353 9.306 0.495) 9.904 2.084 ( -0.341 9.044 2.619) 9.422 2.187 ( -3.112 9.794 -5.059) 11.455 2.289 ( -1.154 12.774 -3.406) 13.271 2.345 ( 1.535 6.647 -1.462) 6.977 2.483 ( 0.199 9.474 -1.234) 9.556 2.603 ( -0.596 3.506 -0.096) 3.558 2.615 ( -0.937 8.399 0.694) 8.480 2.651 ( -4.588 3.161 0.148) 5.574 2.810 ( 0.963 5.722 6.357) 8.607 2.949 ( 2.302 6.329 -3.445) 7.565 2.998 ( 4.098 9.354 -0.548) 10.226 3.411 ( -1.236 -3.221 0.665) 3.514 3.417 ( 0.780 -4.406 -1.502) 4.720 3.904 ( -0.966 10.629 0.519) 10.685 3.980 ( 10.463 -0.084 -0.178) 10.465 4.371 ( 7.458 4.071 0.036) 8.496 4.647 ( -1.792 -1.244 -0.379) 2.215 4.747 ( -3.914 1.351 1.361) 4.359 4.873 ( -7.160 -0.959 -0.147) 7.225 5.064 ( -7.806 0.256 1.240) 7.908 5.228 ( -4.604 7.833 -0.502) 9.100 5.434 ( -6.006 4.323 0.081) 7.401 5.676 ( 1.983 10.295 1.246) 10.558 5.850 ( -2.100 1.041 -0.700) 2.446 5.937 ( -1.387 -1.073 -2.054) 2.701 6.068 ( 3.113 8.124 0.218) 8.703 6.194 ( 0.273 7.246 -0.963) 7.314 6.314 ( 0.977 -1.479 1.615) 2.398 6.414 ( -1.824 1.675 -4.092) 4.784 6.438 ( -5.468 5.896 1.449) 8.170 6.505 ( 4.417 1.716 2.141) 5.199 6.699 ( 1.224 0.580 -1.425) 1.966 6.818 ( 2.039 -1.673 1.542) 3.055 6.825 ( -0.836 2.986 1.205) 3.327 6.929 ( -2.326 -0.292 -5.682) 6.147 7.010 ( 0.139 -0.817 -2.018) 2.181 7.108 ( 0.838 -1.261 0.657) 1.650 7.186 ( 4.502 8.252 3.937) 10.191 7.226 ( 2.537 0.871 -0.087) 2.684 7.340 ( 1.618 1.399 -5.285) 5.701 7.417 ( 2.154 6.073 1.704) 6.665 7.460 ( -2.480 0.807 -0.207) 2.616 7.594 ( -0.831 6.150 2.049) 6.535 7.648 ( -1.526 9.013 -1.449) 9.255 7.687 ( -3.062 6.421 -1.841) 7.348 7.776 ( 0.357 2.249 3.061) 3.815 7.894 ( 2.972 0.950 1.877) 3.641 7.993 ( -2.558 2.366 -1.575) 3.824 8.073 ( 5.441 -0.539 -1.044) 5.567 8.220 ( 2.612 3.173 -1.128) 4.262 8.264 ( -0.946 -2.599 -0.900) 2.909 8.332 ( -3.823 -1.571 -0.142) 4.135 8.440 ( 1.796 -1.958 0.786) 2.771 8.503 ( 0.587 -0.990 -1.594) 1.966 8.565 ( 0.088 -1.937 -4.069) 4.508 8.694 ( 5.239 -3.111 2.602) 6.625 8.854 ( 5.253 -1.650 6.704) 8.675 9.048 ( -0.942 -2.175 -1.874) 3.022 9.178 ( -1.255 -3.228 0.402) 3.486 ======================= Grid point 109 (47/70) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.811 12.368 0.872) 12.426 1.036 ( -0.449 12.025 -3.252) 12.465 1.143 ( -1.994 9.107 0.363) 9.330 1.161 ( 2.025 9.873 -0.254) 10.082 1.310 ( -0.564 3.963 1.364) 4.229 1.337 ( 0.641 3.099 -0.505) 3.205 1.399 ( 0.824 6.057 0.465) 6.130 1.512 ( -1.709 4.237 -0.454) 4.592 1.576 ( -0.743 15.159 -1.107) 15.218 1.594 ( -0.774 5.208 -3.945) 6.579 1.695 ( 1.530 4.471 0.435) 4.745 1.750 ( 0.242 3.272 -0.545) 3.325 1.794 ( -0.039 4.601 1.628) 4.881 1.833 ( -1.287 1.114 -0.042) 1.703 1.965 ( 3.791 -0.043 4.909) 6.203 2.022 ( 1.368 1.278 0.432) 1.921 2.050 ( -5.811 -0.799 -2.542) 6.393 2.155 ( 2.456 0.821 3.266) 4.168 2.204 ( 0.067 5.171 -1.240) 5.318 2.326 ( -0.261 12.996 3.682) 13.510 2.397 ( 2.869 10.963 -1.206) 11.396 2.465 ( -0.792 1.917 1.549) 2.588 2.546 ( -2.342 4.453 -2.465) 5.603 2.569 ( -0.267 11.778 -2.682) 12.083 2.657 ( -0.317 -3.327 -0.453) 3.372 2.719 ( -1.368 12.768 0.818) 12.867 2.763 ( 2.458 9.860 -2.465) 10.456 3.025 ( -1.151 13.754 3.686) 14.286 3.108 ( 1.149 0.249 -0.526) 1.288 3.201 ( -0.569 8.772 -1.436) 8.907 3.370 ( 0.302 3.565 0.296) 3.590 3.398 ( 0.142 6.658 0.050) 6.659 3.895 ( -0.194 -3.904 -0.001) 3.909 4.003 ( -0.186 -3.303 -0.054) 3.309 4.561 ( -0.237 6.147 -0.195) 6.155 4.645 ( -0.705 1.687 -1.296) 2.241 4.766 ( 1.615 4.575 3.070) 5.741 4.850 ( -1.201 5.847 -1.535) 6.164 5.015 ( 0.648 2.947 0.702) 3.098 5.345 ( 0.651 1.976 0.284) 2.099 5.537 ( -0.705 13.630 0.310) 13.652 5.791 ( 0.664 -1.133 1.434) 1.944 5.832 ( 0.014 -3.119 1.408) 3.422 6.031 ( -0.390 10.206 -4.022) 10.976 6.229 ( -0.574 0.927 -0.333) 1.140 6.247 ( -0.207 6.185 0.599) 6.217 6.392 ( 0.705 1.124 -2.014) 2.411 6.436 ( 0.377 2.804 0.866) 2.958 6.474 ( 0.009 6.108 -0.041) 6.108 6.597 ( 2.112 -0.650 1.331) 2.580 6.682 ( -3.557 0.812 -1.927) 4.126 6.852 ( -0.565 3.811 3.449) 5.170 6.905 ( 0.149 1.726 3.920) 4.285 6.941 ( 0.700 4.752 -4.089) 6.308 7.010 ( 0.119 1.606 -2.609) 3.066 7.104 ( 0.868 -0.563 1.916) 2.178 7.220 ( -0.180 0.138 -4.332) 4.338 7.306 ( -1.093 -0.781 -0.856) 1.593 7.423 ( 0.213 3.745 3.196) 4.928 7.499 ( 1.053 4.366 -1.335) 4.686 7.602 ( 3.178 4.085 3.379) 6.181 7.668 ( -2.717 2.197 -2.077) 4.064 7.720 ( -0.076 3.344 2.187) 3.997 7.776 ( -0.667 6.071 -2.671) 6.666 7.884 ( -1.737 0.493 2.952) 3.460 7.907 ( 1.132 3.686 -0.069) 3.856 7.962 ( 0.190 0.891 -3.965) 4.068 8.113 ( 0.248 0.659 0.352) 0.787 8.181 ( -0.019 -0.731 -0.237) 0.769 8.307 ( -1.964 4.591 1.941) 5.358 8.313 ( 0.761 0.922 0.624) 1.349 8.440 ( 2.029 -3.582 -1.173) 4.280 8.495 ( 1.035 0.490 -0.549) 1.270 8.505 ( -2.763 0.679 -2.481) 3.775 8.695 ( 0.907 -4.557 -0.075) 4.647 8.908 ( -0.191 -0.374 5.226) 5.243 8.993 ( 0.100 -0.755 -2.681) 2.787 9.107 ( 0.192 -3.101 0.665) 3.177 ======================= Grid point 110 (48/70) ======================= q-point: ( 0.17 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.709 13.205 -0.614) 13.239 1.024 ( -0.249 11.601 -1.317) 11.678 1.107 ( -1.741 10.366 0.223) 10.513 1.185 ( -0.829 7.527 -0.779) 7.612 1.294 ( -0.866 5.280 1.999) 5.711 1.323 ( -3.176 1.490 -1.112) 3.680 1.362 ( -1.429 5.397 0.253) 5.589 1.477 ( -2.026 5.875 2.230) 6.602 1.547 ( -2.268 7.514 -3.425) 8.564 1.606 ( 2.126 11.914 1.774) 12.231 1.704 ( -0.166 2.769 -1.005) 2.950 1.762 ( 1.593 4.675 -0.801) 5.003 1.800 ( 0.467 3.983 1.431) 4.258 1.835 ( 1.372 0.668 -0.158) 1.534 1.951 ( -3.597 -0.723 -1.457) 3.947 2.016 ( 1.004 1.864 0.380) 2.151 2.079 ( 1.415 0.231 3.875) 4.132 2.192 ( -0.299 3.289 0.554) 3.349 2.220 ( 2.332 2.781 -2.608) 4.469 2.294 ( -4.080 6.546 0.108) 7.714 2.396 ( -1.588 10.375 -2.587) 10.809 2.492 ( 1.936 12.228 4.582) 13.201 2.511 ( 1.928 -0.575 -2.207) 2.986 2.551 ( -1.767 8.027 1.308) 8.323 2.672 ( 2.019 0.204 -0.070) 2.030 2.721 ( 1.628 13.184 -1.115) 13.331 2.815 ( 3.480 9.450 -1.709) 10.215 2.965 ( -4.609 6.517 1.587) 8.138 3.156 ( 1.791 6.350 1.721) 6.819 3.184 ( 0.377 10.998 -1.683) 11.133 3.387 ( -0.043 7.859 0.344) 7.867 3.407 ( 1.976 2.863 -0.845) 3.580 3.926 ( 2.197 -4.356 0.054) 4.879 3.970 ( -2.162 -1.244 0.526) 2.549 4.531 ( -2.361 10.357 0.528) 10.636 4.633 ( 1.285 0.583 -0.543) 1.512 4.829 ( 1.663 2.040 3.746) 4.578 4.859 ( 2.504 4.295 -3.323) 5.980 5.122 ( 9.432 4.122 -0.037) 10.294 5.356 ( 0.609 0.828 -0.392) 1.100 5.562 ( 3.074 11.935 0.821) 12.352 5.759 ( -4.704 -2.997 -0.532) 5.603 5.845 ( 1.381 -0.853 0.918) 1.865 6.023 ( 0.898 7.417 -1.426) 7.606 6.208 ( -0.357 4.142 0.560) 4.195 6.273 ( 1.293 6.284 0.857) 6.473 6.351 ( -2.970 2.954 -2.716) 4.992 6.474 ( 2.305 0.559 0.813) 2.508 6.487 ( 0.917 3.346 -0.727) 3.544 6.563 ( -1.033 3.073 -0.748) 3.327 6.732 ( 3.912 1.095 3.014) 5.059 6.800 ( -6.250 1.936 3.420) 7.383 6.889 ( -1.347 0.341 -2.063) 2.487 6.952 ( 1.698 4.560 -0.278) 4.873 6.999 ( -0.218 2.433 -2.802) 3.717 7.110 ( -1.185 0.418 0.111) 1.262 7.175 ( -2.465 -0.321 -0.969) 2.668 7.275 ( -2.710 1.794 1.366) 3.525 7.443 ( 0.465 2.279 3.358) 4.084 7.477 ( -2.735 5.645 -3.796) 7.332 7.577 ( -4.318 1.360 -4.287) 6.235 7.670 ( 2.602 0.402 3.586) 4.449 7.731 ( 0.465 4.110 3.060) 5.145 7.766 ( 0.753 3.782 -2.990) 4.880 7.866 ( 0.069 2.022 0.987) 2.251 7.938 ( 1.423 5.601 0.896) 5.848 8.002 ( 3.252 0.673 -1.240) 3.545 8.122 ( 0.268 3.778 -0.258) 3.797 8.193 ( 1.340 -1.322 0.218) 1.895 8.270 ( -3.152 3.942 1.889) 5.390 8.328 ( 0.340 -0.736 0.753) 1.106 8.428 ( -0.888 -0.933 -2.698) 2.989 8.477 ( 0.046 -2.321 -0.676) 2.418 8.501 ( -0.308 2.271 0.688) 2.393 8.657 ( -3.694 -3.008 -1.481) 4.989 8.911 ( -2.891 0.119 5.186) 5.939 8.967 ( -0.476 -1.767 -3.085) 3.587 9.127 ( 1.620 -2.722 -0.240) 3.177 ======================= Grid point 111 (49/70) ======================= q-point: ( 0.33 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 1.092 10.636 0.089) 10.693 1.004 ( -1.039 10.875 -1.216) 10.992 1.049 ( -3.833 9.299 -1.393) 10.154 1.160 ( -1.006 8.676 2.387) 9.055 1.238 ( -4.432 1.284 1.570) 4.874 1.300 ( 0.012 3.565 -0.057) 3.566 1.359 ( -0.517 5.195 -1.835) 5.534 1.458 ( -0.784 6.405 3.238) 7.220 1.512 ( 0.556 5.602 -1.195) 5.755 1.647 ( 2.258 11.566 0.204) 11.786 1.709 ( 1.176 2.242 -0.606) 2.603 1.797 ( 0.712 6.401 0.417) 6.454 1.798 ( -1.359 4.355 0.366) 4.577 1.859 ( 1.098 2.145 -1.142) 2.667 1.915 ( 0.329 1.841 0.010) 1.870 2.024 ( -0.893 2.432 -1.262) 2.881 2.038 ( -4.627 0.258 -0.809) 4.704 2.136 ( -4.140 1.645 0.368) 4.470 2.243 ( -0.184 0.763 -0.392) 0.877 2.273 ( 1.231 3.658 -0.032) 3.860 2.359 ( -0.672 11.388 -0.914) 11.444 2.477 ( -0.612 10.381 -0.991) 10.446 2.543 ( 0.301 0.095 1.069) 1.115 2.627 ( 5.208 9.899 4.265) 11.971 2.716 ( 3.557 4.142 -1.589) 5.686 2.753 ( 0.750 4.933 0.505) 5.016 2.867 ( 2.544 9.684 -1.117) 10.075 2.891 ( -3.771 2.578 0.147) 4.571 3.162 ( -0.321 14.152 0.861) 14.182 3.219 ( 2.335 9.651 -0.759) 9.958 3.386 ( 0.452 12.057 -0.272) 12.068 3.445 ( 1.877 0.677 -0.665) 2.104 3.881 ( -4.077 4.224 1.217) 5.995 4.016 ( 3.786 -7.752 -0.126) 8.628 4.496 ( -1.464 17.908 0.624) 17.979 4.691 ( 4.147 -0.626 -0.907) 4.291 4.835 ( -1.142 3.695 2.180) 4.439 4.895 ( 1.521 -3.076 -0.902) 3.548 5.285 ( 6.260 3.688 -0.531) 7.285 5.364 ( 0.911 0.877 -1.720) 2.134 5.632 ( 0.327 4.157 -0.585) 4.211 5.683 ( 0.850 -0.341 2.867) 3.009 5.840 ( -1.610 -0.940 -2.680) 3.264 6.072 ( 2.899 11.372 1.695) 11.858 6.197 ( 0.246 -1.333 0.207) 1.371 6.267 ( -1.567 7.256 -4.494) 8.678 6.344 ( 2.151 9.139 4.959) 10.618 6.463 ( -2.033 2.617 0.629) 3.373 6.530 ( 1.765 2.002 -1.242) 2.944 6.606 ( 5.290 0.882 0.733) 5.413 6.696 ( -4.914 0.884 1.852) 5.326 6.750 ( -2.232 2.767 -2.328) 4.249 6.843 ( -3.119 -0.813 -1.858) 3.720 6.978 ( -0.457 2.870 -1.381) 3.217 6.996 ( 2.341 1.970 0.509) 3.102 7.096 ( -0.697 1.787 -0.166) 1.926 7.130 ( -1.704 -3.962 2.421) 4.945 7.229 ( -3.015 2.743 1.693) 4.414 7.375 ( -4.889 6.950 -4.012) 9.397 7.454 ( -0.621 1.383 4.493) 4.742 7.529 ( 0.571 -0.213 -5.602) 5.635 7.707 ( -1.464 1.967 -0.528) 2.508 7.743 ( 2.471 1.744 1.263) 3.278 7.805 ( 3.138 2.004 3.142) 4.872 7.893 ( 2.128 4.007 -0.866) 4.619 7.958 ( -0.009 4.273 -0.194) 4.277 8.027 ( -0.783 4.322 2.081) 4.861 8.114 ( -0.834 6.168 -0.039) 6.224 8.194 ( -2.280 2.230 0.689) 3.263 8.234 ( 0.098 -0.508 0.341) 0.619 8.326 ( -0.568 -1.910 -0.500) 2.054 8.447 ( 1.955 1.990 0.132) 2.793 8.461 ( -0.200 -3.381 -3.082) 4.580 8.508 ( 0.987 1.542 2.388) 3.009 8.596 ( -1.545 -0.578 -1.149) 2.010 8.811 ( -6.945 1.452 -1.549) 7.262 8.987 ( 1.288 -2.358 2.422) 3.618 9.151 ( 1.125 -2.866 -1.289) 3.338 ======================= Grid point 112 (50/70) ======================= q-point: (-0.50 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 1.573 7.195 -0.801) 7.409 0.988 ( -2.278 9.353 0.038) 9.626 1.003 ( 1.579 8.508 -1.435) 8.771 1.164 ( 0.434 11.216 2.460) 11.491 1.198 ( -0.358 3.089 3.944) 5.023 1.298 ( -0.403 2.518 -0.905) 2.706 1.321 ( -0.998 6.100 -4.003) 7.364 1.476 ( 0.983 5.168 2.727) 5.925 1.533 ( 0.521 2.829 -0.711) 2.963 1.703 ( 0.369 16.106 -0.488) 16.118 1.732 ( 2.974 4.141 3.894) 6.416 1.748 ( -1.052 2.216 0.999) 2.648 1.829 ( -0.283 1.937 -0.305) 1.981 1.841 ( -0.095 2.344 -4.605) 5.168 1.907 ( -3.876 3.287 -3.322) 6.071 1.936 ( -0.286 5.229 0.341) 5.247 2.031 ( 0.199 2.248 -0.113) 2.260 2.109 ( 1.277 -1.164 1.029) 2.011 2.234 ( -0.573 -1.127 1.029) 1.630 2.275 ( -0.526 6.357 -0.667) 6.414 2.361 ( 0.395 12.350 0.159) 12.357 2.477 ( 0.398 10.851 -1.092) 10.913 2.554 ( 0.324 -0.377 0.424) 0.653 2.699 ( -0.245 7.646 3.303) 8.333 2.752 ( 0.369 0.687 -0.073) 0.784 2.773 ( 1.471 6.699 -1.244) 6.971 2.826 ( -1.253 -0.047 0.151) 1.263 2.892 ( -0.505 9.618 0.007) 9.631 3.167 ( 0.891 16.470 -0.893) 16.518 3.236 ( -0.628 8.404 0.409) 8.438 3.391 ( -0.393 15.556 -0.548) 15.571 3.462 ( 0.281 -0.253 -0.726) 0.818 3.845 ( 0.246 7.116 1.668) 7.313 4.055 ( -0.061 -10.734 -0.185) 10.736 4.484 ( -0.069 22.730 0.462) 22.735 4.727 ( 0.041 1.299 -1.385) 1.899 4.835 ( -0.584 1.424 2.384) 2.838 4.907 ( 0.694 -6.360 -0.553) 6.422 5.327 ( -0.017 1.003 -0.172) 1.018 5.371 ( -0.861 2.492 -1.594) 3.081 5.623 ( 1.268 -2.600 0.778) 2.996 5.690 ( -2.776 5.128 -1.319) 5.979 5.847 ( 1.829 -0.953 0.948) 2.270 6.100 ( 0.849 14.687 0.040) 14.712 6.208 ( -2.038 6.616 -0.004) 6.923 6.234 ( 0.718 -1.125 -2.022) 2.422 6.408 ( 1.973 6.765 3.092) 7.696 6.445 ( 0.461 3.829 3.081) 4.937 6.536 ( -0.009 1.121 -1.752) 2.080 6.649 ( -2.734 2.116 1.088) 3.624 6.666 ( -2.126 4.109 -3.139) 5.590 6.734 ( 6.663 0.258 -0.101) 6.669 6.764 ( -3.431 0.062 -2.763) 4.405 6.996 ( 0.561 -0.127 1.324) 1.443 7.026 ( 1.111 1.910 2.731) 3.513 7.067 ( -0.289 0.678 0.217) 0.768 7.131 ( -1.630 -0.111 -0.935) 1.882 7.171 ( -0.816 1.861 -1.994) 2.847 7.330 ( 0.465 2.265 1.484) 2.747 7.477 ( 1.440 1.627 2.087) 3.012 7.518 ( 0.121 0.689 -4.619) 4.672 7.661 ( -1.843 1.077 -1.369) 2.536 7.797 ( 1.058 2.666 4.392) 5.246 7.886 ( 1.910 3.835 3.352) 5.439 7.900 ( -1.180 4.080 -3.724) 5.648 7.933 ( -0.130 3.618 -0.542) 3.660 8.020 ( 0.225 3.202 0.983) 3.357 8.103 ( 0.044 7.071 1.249) 7.180 8.171 ( -0.412 4.558 0.119) 4.578 8.237 ( -0.164 -1.461 0.005) 1.470 8.314 ( -0.186 -2.191 -0.341) 2.225 8.437 ( -0.340 -2.702 -1.658) 3.189 8.470 ( -0.080 2.261 -0.432) 2.303 8.556 ( 1.231 -1.830 1.706) 2.788 8.615 ( 4.245 2.536 1.449) 5.153 8.677 ( -5.705 2.096 -3.670) 7.100 9.015 ( 0.738 -1.867 2.248) 3.014 9.154 ( -0.246 -3.380 -1.472) 3.694 ======================= Grid point 113 (51/70) ======================= q-point: (-0.33 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.940 9.155 -0.283) 9.363 1.008 ( 3.017 9.732 -1.513) 10.300 1.049 ( 4.268 10.711 -1.268) 11.600 1.180 ( 0.457 8.195 0.530) 8.225 1.245 ( 1.661 2.197 2.181) 3.514 1.291 ( 1.442 5.931 1.537) 6.295 1.314 ( 1.006 5.374 -0.766) 5.521 1.510 ( 0.200 3.400 0.825) 3.504 1.524 ( 1.913 6.087 -2.097) 6.717 1.667 ( -2.105 13.191 -1.396) 13.431 1.706 ( -2.218 1.638 -0.858) 2.888 1.777 ( -3.509 6.143 0.311) 7.081 1.838 ( 3.123 -0.273 -0.938) 3.272 1.852 ( 1.739 3.064 1.035) 3.672 1.873 ( -1.879 2.563 0.898) 3.302 1.965 ( 4.883 3.120 2.348) 6.252 2.032 ( 0.145 2.493 -0.243) 2.509 2.168 ( 3.973 2.505 -1.541) 4.943 2.214 ( -2.149 0.147 1.152) 2.442 2.274 ( 0.487 6.308 0.395) 6.339 2.364 ( 0.034 10.520 -1.115) 10.579 2.472 ( -0.483 9.575 -0.340) 9.594 2.556 ( 0.138 -2.604 -0.207) 2.616 2.641 ( -5.440 9.557 2.781) 11.343 2.743 ( -1.545 9.529 -2.441) 9.957 2.768 ( 0.522 1.756 -0.381) 1.871 2.845 ( -4.290 9.134 -0.154) 10.092 2.881 ( 4.318 1.479 0.916) 4.655 3.174 ( -1.019 15.043 0.485) 15.086 3.208 ( -1.289 9.050 -0.456) 9.153 3.377 ( -0.269 12.401 0.251) 12.406 3.447 ( -1.687 0.377 -0.713) 1.870 3.895 ( 3.878 4.633 0.359) 6.052 4.011 ( -4.066 -7.992 0.144) 8.968 4.500 ( 1.617 17.743 0.435) 17.822 4.689 ( -3.361 0.154 -0.829) 3.465 4.824 ( -1.210 1.375 2.204) 2.866 4.916 ( 0.197 -1.447 -1.485) 2.083 5.273 ( -7.709 4.576 0.046) 8.965 5.332 ( -0.805 1.023 0.452) 1.378 5.627 ( -0.192 4.250 -0.029) 4.254 5.711 ( 2.744 -1.692 1.334) 3.489 5.813 ( -3.273 0.499 -1.392) 3.592 6.115 ( -0.064 12.649 -1.141) 12.701 6.190 ( -0.831 -2.985 0.593) 3.155 6.222 ( 0.746 8.444 -0.118) 8.477 6.430 ( -0.174 6.340 -1.250) 6.464 6.481 ( 0.512 3.553 -0.553) 3.632 6.506 ( -2.083 2.266 -0.762) 3.171 6.586 ( -1.696 -0.931 2.883) 3.472 6.683 ( -0.125 5.027 0.705) 5.078 6.726 ( 3.529 2.393 0.403) 4.282 6.853 ( 5.465 -2.006 -2.522) 6.345 6.953 ( -3.635 0.598 0.497) 3.717 7.044 ( -1.892 2.402 -1.840) 3.568 7.082 ( 1.966 1.048 0.230) 2.240 7.151 ( 3.267 -0.803 2.911) 4.449 7.201 ( 4.674 2.766 -0.190) 5.435 7.372 ( 3.095 1.724 1.231) 3.750 7.473 ( -1.983 2.471 -3.569) 4.773 7.518 ( 1.417 1.224 -1.094) 2.168 7.654 ( 0.917 1.590 1.900) 2.642 7.783 ( -3.901 -0.875 0.897) 4.097 7.853 ( -1.311 7.373 -0.653) 7.517 7.871 ( -1.408 4.421 -0.565) 4.674 7.961 ( -0.018 4.746 0.142) 4.748 8.044 ( 1.415 2.905 0.786) 3.325 8.118 ( -1.355 4.583 -0.523) 4.807 8.194 ( 4.199 1.749 1.008) 4.659 8.234 ( 0.262 -0.338 0.375) 0.569 8.319 ( 0.793 -2.090 -0.014) 2.236 8.424 ( -1.975 -1.264 -0.031) 2.345 8.452 ( -0.534 0.988 -0.398) 1.191 8.566 ( -0.500 -1.204 0.356) 1.351 8.601 ( 1.081 1.100 -5.409) 5.625 8.729 ( 5.297 2.131 5.231) 7.744 9.030 ( 0.262 -1.089 -0.048) 1.122 9.133 ( -1.446 -3.746 -0.490) 4.045 ======================= Grid point 114 (52/70) ======================= q-point: (-0.17 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.039 11.541 -0.088) 11.541 1.041 ( 1.307 9.674 -1.706) 9.910 1.122 ( 2.871 13.929 -1.985) 14.360 1.177 ( -1.119 7.190 0.687) 7.309 1.283 ( 2.725 2.585 2.073) 4.290 1.313 ( 1.022 4.517 -0.131) 4.633 1.362 ( 2.178 5.286 0.270) 5.723 1.510 ( 1.039 7.123 0.036) 7.199 1.581 ( 3.174 5.312 -5.250) 8.115 1.635 ( -1.317 12.383 -0.636) 12.469 1.676 ( -0.932 3.211 0.683) 3.412 1.739 ( -0.073 3.514 0.957) 3.643 1.812 ( -2.467 4.101 0.325) 4.797 1.850 ( -0.861 1.286 -0.458) 1.614 1.902 ( 2.009 -0.554 2.345) 3.137 2.016 ( -0.523 2.823 -0.123) 2.874 2.087 ( 3.223 0.949 4.510) 5.624 2.162 ( -3.797 -1.104 -0.405) 3.975 2.207 ( 0.805 6.137 -1.159) 6.297 2.306 ( 1.881 8.070 2.379) 8.621 2.350 ( 0.216 11.566 -1.520) 11.667 2.468 ( -0.270 3.305 1.637) 3.698 2.561 ( 0.268 1.649 -1.598) 2.312 2.584 ( -0.530 8.464 0.025) 8.481 2.706 ( -1.847 9.735 -3.631) 10.553 2.749 ( -3.145 10.628 -2.550) 11.373 2.766 ( -1.869 4.120 2.196) 5.029 2.966 ( 4.310 6.784 1.611) 8.197 3.135 ( -2.676 8.774 1.518) 9.298 3.204 ( 0.555 9.512 -1.422) 9.634 3.386 ( 0.416 7.648 0.606) 7.683 3.400 ( -2.418 2.472 -0.652) 3.519 3.930 ( -2.765 -4.307 -0.163) 5.121 3.973 ( 2.597 -1.484 0.314) 3.007 4.540 ( 2.161 10.161 -0.017) 10.388 4.640 ( -0.334 1.201 -1.155) 1.700 4.789 ( -3.647 3.358 3.104) 5.849 4.896 ( -1.628 2.778 -2.377) 4.002 5.103 ( -9.278 4.502 1.186) 10.381 5.331 ( 0.340 2.150 0.982) 2.388 5.584 ( -3.923 10.544 -0.372) 11.256 5.758 ( 2.945 -1.465 -0.663) 3.355 5.804 ( 0.940 -2.899 2.804) 4.141 6.075 ( -2.327 10.918 -4.152) 11.911 6.212 ( 2.440 -2.697 1.282) 3.856 6.243 ( 0.434 8.067 0.770) 8.115 6.391 ( -1.012 6.803 -4.006) 7.960 6.459 ( -1.980 2.126 0.771) 3.006 6.489 ( -0.992 2.408 0.114) 2.607 6.559 ( -0.248 1.336 -0.451) 1.432 6.734 ( 1.568 -0.770 3.083) 3.544 6.809 ( 3.369 3.796 2.502) 5.659 6.894 ( -2.299 5.018 2.331) 5.992 6.919 ( 3.364 -0.165 -4.459) 5.588 7.018 ( -0.001 1.525 -2.142) 2.630 7.092 ( -0.345 -0.460 0.383) 0.691 7.204 ( 2.758 -2.208 -1.781) 3.957 7.308 ( 3.378 2.215 0.368) 4.056 7.414 ( -0.766 4.708 -1.056) 4.886 7.453 ( 2.923 2.104 3.312) 4.893 7.544 ( 2.277 4.647 -1.612) 5.420 7.687 ( 0.966 2.963 2.655) 4.094 7.720 ( -2.062 -0.984 -0.791) 2.418 7.813 ( -1.863 6.014 -2.365) 6.726 7.867 ( 0.479 4.233 0.704) 4.318 7.936 ( -2.286 2.743 0.862) 3.673 8.028 ( -3.773 2.781 -3.431) 5.809 8.098 ( 0.767 2.349 1.945) 3.145 8.202 ( -1.769 -2.385 -0.235) 2.978 8.288 ( 2.039 2.610 0.672) 3.379 8.338 ( -1.047 2.570 0.875) 2.910 8.390 ( 2.088 -2.747 -0.613) 3.505 8.471 ( 1.603 -1.281 -0.085) 2.054 8.552 ( -0.569 0.942 -4.069) 4.216 8.642 ( 3.623 -2.350 -0.176) 4.322 8.843 ( 4.221 0.666 6.635) 7.892 9.017 ( -1.046 -0.943 -3.038) 3.349 9.110 ( -0.873 -3.382 1.031) 3.641 ======================= Grid point 115 (53/70) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.382 9.449 1.626) 9.596 1.204 ( 0.479 5.596 -1.064) 5.716 1.258 ( -0.547 2.385 0.539) 2.505 1.315 ( -0.751 4.538 -1.320) 4.785 1.369 ( -0.053 2.366 0.405) 2.401 1.387 ( 0.191 2.761 0.405) 2.797 1.503 ( 0.879 3.212 0.376) 3.351 1.638 ( 0.051 8.526 -0.617) 8.549 1.677 ( -0.155 4.689 -3.003) 5.570 1.699 ( -1.040 0.806 -1.485) 1.984 1.839 ( 0.544 5.353 1.637) 5.625 1.863 ( -0.142 5.141 -0.321) 5.153 1.893 ( 0.346 3.107 1.628) 3.525 1.930 ( -2.198 5.642 -1.024) 6.141 1.967 ( 5.557 4.432 3.219) 7.802 2.027 ( -6.326 1.296 -2.394) 6.887 2.045 ( -0.086 0.951 0.268) 0.992 2.122 ( 3.280 -2.747 3.356) 5.438 2.202 ( 0.265 -4.087 -3.838) 5.612 2.349 ( -0.151 -6.604 0.996) 6.680 2.452 ( -0.020 -6.833 0.074) 6.833 2.490 ( 0.015 2.028 1.699) 2.646 2.584 ( -0.408 -0.287 -2.481) 2.531 2.694 ( 0.087 8.612 0.278) 8.617 2.800 ( -0.820 -1.687 0.441) 1.927 2.883 ( -0.041 9.145 2.483) 9.476 2.963 ( 0.327 7.397 -1.651) 7.586 3.050 ( 0.154 3.274 -0.297) 3.291 3.303 ( 0.745 11.565 1.153) 11.646 3.389 ( -0.547 8.881 -1.689) 9.057 3.521 ( 0.298 10.011 0.181) 10.017 3.641 ( -0.110 13.777 0.707) 13.795 3.790 ( 0.007 -5.162 0.065) 5.162 3.978 ( -0.127 1.419 -0.200) 1.439 4.699 ( 0.689 6.751 0.321) 6.794 4.721 ( -1.299 6.754 -1.821) 7.115 4.873 ( -0.082 5.118 2.164) 5.557 4.975 ( 0.249 6.386 -1.721) 6.619 5.132 ( 0.491 9.149 0.816) 9.198 5.366 ( 0.043 0.903 1.017) 1.361 5.743 ( -0.058 -3.562 0.565) 3.607 5.778 ( 0.245 8.728 -0.451) 8.743 5.800 ( 0.678 1.571 1.716) 2.423 6.089 ( -1.470 -1.032 -3.021) 3.514 6.277 ( -0.312 -3.503 -0.003) 3.516 6.367 ( -0.060 3.716 0.293) 3.728 6.405 ( 3.436 4.005 1.233) 5.419 6.486 ( -0.507 2.067 2.627) 3.381 6.520 ( -3.453 1.173 -2.587) 4.471 6.605 ( 0.960 2.325 -3.445) 4.265 6.725 ( 0.056 3.147 0.619) 3.208 6.917 ( -0.360 2.596 2.321) 3.501 6.964 ( -2.420 4.736 -0.746) 5.370 7.035 ( 1.209 1.201 -2.122) 2.721 7.074 ( 0.613 6.144 0.167) 6.177 7.112 ( 1.321 1.738 2.356) 3.212 7.191 ( 0.674 -3.083 -0.320) 3.172 7.289 ( 0.242 0.555 -0.889) 1.075 7.500 ( 0.160 2.832 1.335) 3.135 7.553 ( -0.840 0.525 -0.430) 1.080 7.645 ( -0.097 -0.247 1.452) 1.476 7.701 ( 0.173 2.180 -1.131) 2.462 7.733 ( 0.205 -1.460 2.356) 2.779 7.865 ( 0.646 3.491 -3.417) 4.927 7.916 ( -2.775 2.866 0.596) 4.033 7.943 ( 2.452 1.436 -2.280) 3.643 8.033 ( -1.783 3.376 -0.616) 3.867 8.133 ( 0.267 0.498 -0.234) 0.611 8.197 ( 0.800 2.120 3.716) 4.352 8.313 ( -0.619 -0.604 0.016) 0.865 8.373 ( -0.696 2.074 -0.957) 2.388 8.418 ( 1.389 1.503 -0.731) 2.173 8.511 ( 0.034 0.658 1.396) 1.544 8.559 ( -1.350 4.228 -1.961) 4.852 8.618 ( 1.072 -2.552 -0.365) 2.792 8.905 ( -0.258 -0.592 1.975) 2.077 8.995 ( -0.173 1.025 -1.142) 1.545 9.062 ( 0.455 -1.039 0.953) 1.482 ======================= Grid point 116 (54/70) ======================= q-point: ( 0.17 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -1.764 7.837 0.260) 8.037 1.190 ( -1.008 6.160 -1.017) 6.324 1.254 ( -0.862 2.086 0.545) 2.321 1.299 ( -0.421 4.742 0.731) 4.817 1.351 ( -2.664 2.826 -0.363) 3.901 1.376 ( -1.698 3.788 0.585) 4.192 1.464 ( -2.537 4.715 -0.706) 5.400 1.629 ( -1.345 7.518 0.608) 7.662 1.640 ( -1.841 4.376 -2.155) 5.214 1.707 ( 1.008 0.594 0.621) 1.325 1.845 ( -2.110 4.499 -1.347) 5.148 1.865 ( 2.122 4.212 -0.234) 4.723 1.892 ( -0.372 5.743 0.647) 5.791 1.916 ( -0.678 5.906 -1.089) 6.044 1.954 ( 1.592 1.991 3.386) 4.238 2.055 ( 2.167 3.614 0.348) 4.228 2.093 ( 3.229 1.750 1.578) 3.997 2.154 ( -1.942 -3.508 -0.884) 4.106 2.223 ( 3.207 -2.843 -3.222) 5.362 2.326 ( -6.872 -2.932 -0.759) 7.510 2.352 ( 1.310 -7.665 0.689) 7.806 2.566 ( 2.142 -2.755 3.784) 5.148 2.609 ( 3.297 5.144 -2.810) 6.725 2.687 ( 0.398 7.217 -0.342) 7.236 2.808 ( 0.635 -0.278 1.538) 1.687 2.884 ( -1.050 8.886 1.432) 9.062 2.977 ( 1.824 6.443 -0.746) 6.738 3.032 ( -2.574 4.856 -0.706) 5.541 3.295 ( -0.624 7.285 -0.417) 7.324 3.385 ( 0.653 8.093 -0.214) 8.122 3.508 ( -1.289 7.924 -0.431) 8.040 3.681 ( 3.158 15.293 0.436) 15.622 3.808 ( 1.516 -5.405 0.068) 5.614 3.958 ( -1.507 1.043 0.124) 1.837 4.684 ( -0.831 4.258 -0.326) 4.351 4.726 ( 2.007 9.234 0.240) 9.453 4.872 ( -1.005 2.508 1.914) 3.311 4.973 ( 0.143 6.334 -1.803) 6.587 5.259 ( 10.068 9.235 -0.206) 13.664 5.371 ( 0.497 1.172 0.645) 1.427 5.695 ( -4.840 -3.678 0.105) 6.080 5.769 ( -0.676 7.431 -0.625) 7.488 5.842 ( 3.156 2.633 -0.182) 4.114 6.060 ( 0.236 -1.151 1.035) 1.565 6.296 ( 1.283 -1.350 0.355) 1.896 6.352 ( -4.315 2.744 -3.515) 6.205 6.421 ( 4.775 4.982 0.527) 6.921 6.500 ( 1.138 2.902 4.732) 5.667 6.563 ( 3.222 4.538 -1.070) 5.667 6.609 ( 2.379 0.177 -2.189) 3.237 6.725 ( -1.205 1.889 0.516) 2.299 6.893 ( -4.200 5.320 0.849) 6.831 6.902 ( -2.778 1.194 1.151) 3.236 7.043 ( 0.355 2.245 -0.538) 2.336 7.075 ( 0.933 5.979 -1.106) 6.152 7.113 ( -2.328 0.441 -1.153) 2.635 7.170 ( -2.531 -1.117 -0.140) 2.770 7.299 ( 0.488 1.714 -0.613) 1.885 7.488 ( -1.437 1.624 0.664) 2.268 7.534 ( -1.987 -0.601 1.070) 2.336 7.619 ( -6.349 3.495 -2.769) 7.758 7.665 ( 1.877 -0.607 2.647) 3.301 7.746 ( 0.721 -2.392 1.785) 3.070 7.821 ( -2.687 2.898 -3.906) 5.556 7.918 ( 1.652 2.577 0.344) 3.080 7.989 ( 2.119 0.774 -0.320) 2.278 8.048 ( 2.036 2.059 1.656) 3.336 8.163 ( 2.438 -0.398 0.308) 2.489 8.222 ( 0.836 4.331 0.334) 4.424 8.294 ( -1.259 -0.379 0.409) 1.377 8.345 ( -2.010 2.640 -0.176) 3.323 8.435 ( 0.433 -0.256 -1.793) 1.863 8.485 ( -0.647 3.056 0.541) 3.170 8.560 ( -0.186 2.654 2.180) 3.440 8.624 ( 0.570 0.743 -2.943) 3.088 8.915 ( 0.568 -1.098 3.233) 3.462 8.949 ( -3.948 1.103 -1.515) 4.370 9.087 ( 1.547 -1.177 -0.466) 1.999 ======================= Grid point 117 (55/70) ======================= q-point: ( 0.33 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -2.244 6.159 -0.626) 6.585 1.172 ( -0.917 6.285 0.324) 6.359 1.217 ( -2.621 5.767 -0.063) 6.335 1.250 ( -3.913 3.208 -0.714) 5.110 1.321 ( 0.312 6.221 2.511) 6.716 1.358 ( -0.934 2.875 1.195) 3.250 1.451 ( 0.276 4.200 -0.736) 4.272 1.582 ( -2.108 2.278 -1.326) 3.375 1.624 ( -0.361 9.135 0.475) 9.154 1.717 ( 0.085 -2.172 0.334) 2.199 1.808 ( -0.821 6.288 -1.151) 6.445 1.883 ( -0.088 2.321 -0.508) 2.378 1.910 ( 2.388 5.947 -0.521) 6.430 1.959 ( 2.959 1.886 -0.877) 3.617 1.989 ( 0.715 4.005 2.888) 4.989 2.058 ( -5.045 -3.004 -2.630) 6.433 2.068 ( -1.854 7.436 -0.422) 7.676 2.112 ( -0.100 2.993 1.051) 3.173 2.247 ( -1.790 -0.684 2.203) 2.919 2.282 ( 3.276 -1.859 -1.825) 4.185 2.416 ( 4.303 -6.242 -0.169) 7.583 2.603 ( -0.986 6.974 -1.800) 7.269 2.618 ( 2.017 1.934 1.350) 3.103 2.757 ( 3.871 4.901 0.486) 6.264 2.788 ( -1.904 -2.059 -1.587) 3.222 2.877 ( -0.951 10.937 4.819) 11.989 2.957 ( -3.201 4.823 -1.627) 6.012 3.021 ( 2.298 5.515 -0.153) 5.977 3.296 ( 0.442 2.942 -0.741) 3.066 3.399 ( 0.724 5.850 0.049) 5.895 3.481 ( -1.195 3.737 -1.051) 4.062 3.744 ( 3.255 16.337 0.406) 16.663 3.828 ( 0.391 -6.474 0.029) 6.485 3.937 ( -0.820 0.871 0.433) 1.272 4.700 ( 2.423 2.446 0.208) 3.449 4.771 ( 2.404 8.847 -0.401) 9.176 4.853 ( -1.744 0.470 1.916) 2.633 4.949 ( -2.310 5.654 -1.083) 6.203 5.351 ( 0.493 2.146 -0.181) 2.209 5.440 ( 4.156 7.209 -0.814) 8.361 5.618 ( -1.992 -1.155 0.220) 2.313 5.780 ( 3.115 4.990 0.791) 5.936 5.879 ( 0.186 5.462 -2.091) 5.851 6.098 ( 2.245 -3.114 0.337) 3.853 6.295 ( 0.767 6.283 1.968) 6.629 6.358 ( 3.384 0.372 0.198) 3.411 6.496 ( 0.542 6.083 2.356) 6.546 6.531 ( 2.538 4.719 1.052) 5.460 6.587 ( 1.796 2.214 -2.321) 3.677 6.630 ( -3.087 2.685 -1.642) 4.408 6.721 ( 2.058 3.206 2.044) 4.324 6.810 ( -2.552 2.117 -3.116) 4.550 6.860 ( -2.620 2.798 0.474) 3.862 7.016 ( -5.611 -0.839 -1.842) 5.965 7.037 ( -0.358 1.491 1.962) 2.490 7.107 ( -1.307 2.867 1.284) 3.403 7.143 ( 1.995 3.079 -1.410) 3.931 7.282 ( -1.904 2.535 -0.058) 3.171 7.453 ( -3.605 -1.276 1.059) 3.968 7.478 ( -5.386 1.612 -1.720) 5.880 7.519 ( 0.609 1.190 -1.837) 2.272 7.718 ( -2.084 -1.112 -1.504) 2.800 7.745 ( 3.348 -1.026 0.186) 3.506 7.813 ( 2.229 -0.185 4.548) 5.068 7.958 ( 2.168 2.535 0.403) 3.360 8.010 ( -0.417 0.581 -1.163) 1.365 8.063 ( -0.927 -0.430 1.563) 1.867 8.202 ( 0.651 -0.672 1.134) 1.470 8.224 ( 0.613 4.149 -2.181) 4.727 8.282 ( -0.970 5.177 0.249) 5.273 8.313 ( -0.707 0.879 0.462) 1.219 8.419 ( -0.818 -1.278 -0.743) 1.690 8.516 ( 3.047 3.856 -0.860) 4.989 8.555 ( -1.332 2.733 2.649) 4.032 8.636 ( 2.410 4.609 -2.232) 5.660 8.852 ( -5.536 2.197 -2.197) 6.349 8.946 ( 0.871 -1.587 4.473) 4.826 9.103 ( 0.621 -2.032 -2.068) 2.965 ======================= Grid point 118 (56/70) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.142 5.546 -0.564) 5.577 1.162 ( 0.102 6.453 1.203) 6.565 1.181 ( 0.088 9.550 -0.746) 9.580 1.233 ( 0.564 0.912 0.236) 1.098 1.340 ( 0.500 5.832 2.710) 6.450 1.348 ( -0.356 3.490 1.475) 3.805 1.440 ( -0.705 5.647 -2.059) 6.052 1.563 ( 0.664 1.085 -1.419) 1.906 1.629 ( 0.676 9.137 0.852) 9.202 1.719 ( 0.100 -3.319 -0.017) 3.321 1.785 ( -1.145 1.564 -2.376) 3.067 1.886 ( 0.916 4.021 0.890) 4.219 1.940 ( -0.249 6.618 -0.380) 6.633 1.953 ( -1.357 2.355 -1.147) 2.950 1.978 ( -3.331 -2.993 2.134) 4.961 2.019 ( 1.766 6.042 -1.520) 6.476 2.056 ( 1.858 7.016 -1.497) 7.410 2.138 ( 0.934 6.053 0.282) 6.131 2.214 ( -2.113 -1.036 4.366) 4.960 2.330 ( 2.279 0.011 -2.760) 3.580 2.468 ( -0.031 -5.773 0.001) 5.773 2.574 ( -0.280 7.956 -0.194) 7.963 2.677 ( -0.434 -5.072 -0.440) 5.109 2.692 ( -0.814 6.850 -0.993) 6.969 2.820 ( 0.343 3.485 0.343) 3.518 2.881 ( -0.745 8.529 3.508) 9.252 2.936 ( 1.646 6.364 -1.572) 6.759 3.042 ( -0.813 5.468 0.947) 5.608 3.295 ( -0.140 1.856 -0.658) 1.974 3.409 ( 0.229 4.836 0.161) 4.845 3.463 ( 0.050 0.625 -1.489) 1.616 3.781 ( -0.019 18.305 -0.121) 18.305 3.829 ( -0.075 -9.530 0.478) 9.542 3.932 ( 0.117 1.438 0.521) 1.533 4.749 ( 0.602 1.984 0.143) 2.078 4.781 ( -0.267 2.128 0.322) 2.168 4.839 ( -0.888 6.606 0.426) 6.679 4.913 ( 0.692 3.923 -0.302) 3.995 5.353 ( -0.081 1.917 -0.111) 1.922 5.450 ( -0.577 4.608 -0.818) 4.715 5.615 ( 0.007 2.104 0.248) 2.118 5.840 ( -2.128 9.440 -0.698) 9.702 5.864 ( 2.546 2.892 0.619) 3.903 6.124 ( 0.062 -4.490 -0.692) 4.543 6.312 ( 0.530 4.268 2.215) 4.837 6.392 ( -0.776 7.718 -1.235) 7.855 6.500 ( -2.466 4.039 3.530) 5.903 6.563 ( 1.740 5.478 -0.855) 5.811 6.592 ( 0.735 5.989 -0.692) 6.074 6.649 ( 4.201 -0.530 2.374) 4.854 6.715 ( -0.986 1.507 -2.431) 3.026 6.773 ( -2.789 3.415 -3.911) 5.893 6.817 ( -0.528 3.424 -0.750) 3.545 6.945 ( -0.895 -3.257 0.555) 3.424 7.071 ( -0.724 0.636 1.454) 1.744 7.096 ( 4.726 2.704 5.116) 7.471 7.173 ( -0.637 4.471 -1.453) 4.745 7.227 ( -2.750 2.829 -3.506) 5.278 7.365 ( -1.481 1.066 -0.887) 2.029 7.470 ( 1.951 -1.902 0.965) 2.891 7.538 ( 1.337 0.922 -1.942) 2.531 7.650 ( -2.662 -1.483 -1.269) 3.301 7.809 ( 0.373 -0.573 2.201) 2.305 7.895 ( 3.700 -1.978 5.427) 6.860 7.977 ( -1.019 1.344 -3.027) 3.465 7.984 ( 0.737 2.339 0.129) 2.456 8.035 ( -1.751 -0.730 -0.747) 2.039 8.193 ( -0.884 0.313 -0.095) 0.943 8.241 ( 0.812 2.922 0.085) 3.034 8.271 ( -0.204 5.573 0.560) 5.605 8.307 ( -0.349 2.198 -0.100) 2.228 8.412 ( 0.498 -1.418 -0.574) 1.609 8.530 ( -2.141 3.415 1.682) 4.367 8.564 ( 2.082 3.368 -1.455) 4.218 8.698 ( 3.795 4.910 1.041) 6.293 8.741 ( -4.610 3.788 -2.799) 6.591 8.980 ( 1.028 -1.689 4.126) 4.575 9.094 ( -0.516 -2.688 -2.813) 3.925 ======================= Grid point 119 (57/70) ======================= q-point: (-0.33 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 2.115 6.439 -0.060) 6.778 1.171 ( 0.241 6.684 0.032) 6.689 1.232 ( 4.106 5.159 1.001) 6.669 1.243 ( 1.904 3.315 -1.894) 4.266 1.351 ( 0.213 4.142 1.719) 4.489 1.360 ( 0.146 4.445 0.139) 4.449 1.436 ( 0.974 5.543 -0.108) 5.629 1.585 ( 2.081 2.440 -1.227) 3.434 1.652 ( 1.729 7.600 -1.311) 7.904 1.723 ( 0.426 -1.139 -0.009) 1.217 1.774 ( 0.922 1.061 0.650) 1.549 1.882 ( -2.527 3.988 -1.253) 4.885 1.906 ( -1.380 5.619 0.525) 5.810 1.933 ( -2.414 1.313 1.120) 2.968 1.965 ( 1.958 5.252 2.591) 6.175 2.062 ( 2.229 9.178 -0.099) 9.446 2.080 ( 0.915 -0.716 -1.830) 2.168 2.131 ( -0.294 1.911 -0.882) 2.126 2.211 ( -0.587 -0.816 2.414) 2.615 2.346 ( 0.977 -0.013 -3.857) 3.979 2.415 ( -4.130 -6.621 -0.195) 7.806 2.555 ( -3.404 0.113 2.089) 3.995 2.634 ( 1.280 7.140 -0.279) 7.259 2.756 ( 3.139 0.749 0.991) 3.375 2.776 ( -5.070 4.391 -0.610) 6.735 2.915 ( 3.165 3.701 2.602) 5.521 2.964 ( 1.952 9.409 -2.941) 10.049 2.998 ( -3.629 6.008 1.318) 7.141 3.285 ( -0.784 2.391 -0.158) 2.521 3.407 ( -0.314 6.658 -0.331) 6.674 3.475 ( 1.490 2.906 -0.705) 3.341 3.747 ( -3.137 18.435 0.199) 18.702 3.825 ( -0.606 -8.801 0.170) 8.824 3.942 ( 0.713 0.959 0.132) 1.202 4.708 ( -2.494 2.230 -0.271) 3.357 4.768 ( -1.956 8.631 -0.197) 8.852 4.850 ( 1.325 2.060 1.914) 3.109 4.956 ( 2.666 4.426 -1.402) 5.353 5.345 ( -0.624 1.699 0.195) 1.821 5.418 ( -4.557 8.387 0.446) 9.555 5.620 ( 1.828 -1.309 0.173) 2.255 5.806 ( -2.648 5.558 -0.542) 6.181 5.845 ( -1.958 5.291 -0.180) 5.645 6.099 ( -1.353 -4.076 -0.026) 4.295 6.334 ( 0.147 3.445 -0.176) 3.453 6.364 ( -2.218 6.877 -0.492) 7.242 6.492 ( -0.061 1.262 3.396) 3.624 6.533 ( -3.508 4.658 1.131) 5.940 6.592 ( 1.174 4.847 -3.078) 5.860 6.622 ( -4.721 2.247 -1.847) 5.545 6.740 ( 0.461 3.352 1.931) 3.896 6.797 ( 5.623 2.937 -2.758) 6.917 6.840 ( 3.851 1.583 1.020) 4.287 6.974 ( 2.896 -0.009 1.601) 3.309 7.099 ( 0.588 1.329 1.065) 1.802 7.104 ( -1.525 0.414 -2.677) 3.109 7.137 ( -1.785 3.910 -0.367) 4.314 7.259 ( 4.884 1.719 1.202) 5.315 7.399 ( 3.652 1.111 2.202) 4.407 7.523 ( 0.366 2.818 -3.186) 4.270 7.532 ( 3.435 -0.485 -2.197) 4.106 7.643 ( 1.098 -1.907 3.438) 4.082 7.770 ( -3.926 -0.658 0.262) 3.989 7.908 ( -2.218 0.019 -3.100) 3.812 7.957 ( -0.372 2.781 0.521) 2.854 8.000 ( -0.003 -1.195 -0.831) 1.456 8.063 ( 3.344 0.097 2.397) 4.116 8.169 ( -1.825 1.105 1.373) 2.537 8.233 ( -2.096 2.045 -1.204) 3.166 8.282 ( 2.435 4.563 0.235) 5.177 8.311 ( 0.629 1.901 0.554) 2.078 8.426 ( 0.656 0.104 -1.377) 1.529 8.494 ( -1.912 1.947 1.017) 2.912 8.569 ( -1.048 2.868 1.328) 3.329 8.664 ( -1.319 4.462 -4.763) 6.658 8.787 ( 4.037 3.253 3.435) 6.219 9.014 ( 1.227 -0.593 1.228) 1.834 9.064 ( -1.462 -2.989 -1.468) 3.637 ======================= Grid point 120 (58/70) ======================= q-point: (-0.17 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 1.294 9.306 0.913) 9.440 1.184 ( 1.476 5.269 -0.432) 5.489 1.254 ( 0.821 0.788 0.386) 1.201 1.330 ( 1.867 6.369 -1.299) 6.763 1.350 ( 1.172 4.201 -0.173) 4.365 1.371 ( 0.857 2.217 1.138) 2.636 1.458 ( 1.950 3.738 -0.393) 4.234 1.623 ( 1.900 5.877 -0.170) 6.179 1.675 ( 1.586 5.118 -3.907) 6.631 1.726 ( -0.291 0.283 -0.948) 1.031 1.820 ( 1.737 3.644 1.274) 4.234 1.851 ( 0.773 4.869 2.799) 5.669 1.881 ( -0.804 3.657 0.018) 3.744 1.903 ( -0.528 5.675 -0.180) 5.702 1.993 ( -1.549 8.679 0.102) 8.816 2.057 ( -1.898 0.690 0.174) 2.027 2.077 ( -0.227 -2.322 3.268) 4.016 2.127 ( -1.531 1.121 -1.295) 2.297 2.216 ( 0.256 -2.324 -1.411) 2.731 2.334 ( -0.162 -5.053 0.231) 5.061 2.382 ( 2.427 -6.282 -3.153) 7.436 2.521 ( -1.753 1.424 4.385) 4.933 2.651 ( -2.725 1.878 -2.852) 4.369 2.682 ( -0.890 6.992 -0.102) 7.049 2.802 ( 1.066 -2.435 1.534) 3.069 2.905 ( -3.525 8.597 1.734) 9.453 2.968 ( -0.162 7.217 -1.115) 7.304 3.024 ( 3.549 5.905 -0.434) 6.903 3.276 ( 0.443 6.826 0.578) 6.865 3.400 ( -0.150 8.169 -0.958) 8.226 3.502 ( 1.428 7.810 -0.035) 7.940 3.682 ( -3.625 15.952 0.356) 16.363 3.806 ( -1.410 -6.151 0.148) 6.312 3.962 ( 1.436 1.100 -0.116) 1.813 4.686 ( 0.362 4.369 -0.451) 4.407 4.738 ( -0.894 8.654 -0.554) 8.718 4.869 ( -0.177 3.940 2.118) 4.476 4.976 ( 0.463 5.326 -1.925) 5.682 5.249 ( -10.543 9.677 0.387) 14.316 5.358 ( 0.102 1.428 1.417) 2.014 5.692 ( 4.681 -3.674 0.260) 5.956 5.770 ( 0.030 4.975 -0.629) 5.015 5.812 ( -2.313 5.229 1.468) 5.903 6.102 ( 0.988 -3.189 -1.415) 3.626 6.307 ( -1.916 1.671 -0.631) 2.619 6.332 ( 0.627 3.407 -0.679) 3.530 6.435 ( -4.874 1.716 -0.993) 5.262 6.497 ( -2.159 1.701 2.600) 3.784 6.584 ( -0.146 1.814 0.288) 1.843 6.609 ( -0.371 6.816 -2.963) 7.441 6.720 ( -0.369 1.269 0.592) 1.448 6.888 ( 2.713 2.820 2.448) 4.616 6.942 ( 6.544 2.987 -3.351) 7.936 7.030 ( 0.318 6.236 1.752) 6.485 7.064 ( -1.084 3.590 -0.187) 3.755 7.077 ( 0.107 -0.565 -0.222) 0.617 7.162 ( 2.202 -1.852 0.578) 2.935 7.305 ( -0.491 -0.974 -0.759) 1.329 7.463 ( 2.481 1.571 1.768) 3.428 7.548 ( 2.434 4.042 0.599) 4.756 7.612 ( 5.061 2.877 -2.057) 6.174 7.672 ( -0.292 -3.064 2.577) 4.014 7.719 ( -0.365 -0.020 0.348) 0.505 7.865 ( -0.222 0.893 -3.838) 3.946 7.933 ( -1.193 2.416 -0.702) 2.784 7.988 ( -2.348 1.887 -0.676) 3.087 8.081 ( -1.476 0.932 -1.373) 2.220 8.154 ( -1.606 3.326 3.519) 5.101 8.178 ( -1.671 -0.185 0.987) 1.949 8.318 ( 0.067 0.647 -0.194) 0.678 8.356 ( 3.944 1.519 -1.584) 4.513 8.412 ( -1.124 2.683 0.184) 2.914 8.483 ( 0.705 1.387 0.741) 1.723 8.578 ( 1.087 0.879 1.601) 2.126 8.622 ( -1.603 1.965 -3.999) 4.735 8.871 ( 2.974 1.486 3.901) 5.126 9.007 ( -0.849 -0.173 -3.679) 3.780 9.056 ( -0.030 -1.650 2.401) 2.914 ======================= Grid point 121 (59/70) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -0.276 -1.024 -0.009) 1.061 1.270 ( 0.082 0.599 -0.027) 0.605 1.322 ( 0.453 5.160 0.310) 5.190 1.354 ( -0.474 1.543 -0.686) 1.754 1.429 ( -0.026 3.613 0.187) 3.618 1.447 ( 0.042 2.420 0.061) 2.421 1.526 ( 0.751 -0.414 1.062) 1.366 1.673 ( -0.568 -2.490 -1.231) 2.835 1.769 ( -0.150 4.449 -0.617) 4.494 1.804 ( 0.365 4.923 -0.678) 4.983 1.857 ( 1.067 -1.867 2.104) 3.008 1.907 ( -2.824 -2.463 -1.461) 4.022 1.962 ( -0.331 5.579 0.140) 5.590 1.976 ( 1.210 -0.354 3.257) 3.493 2.040 ( 2.790 3.199 -0.787) 4.317 2.045 ( -2.056 0.199 -0.599) 2.151 2.079 ( 0.187 -2.748 -2.877) 3.983 2.098 ( 0.086 2.483 0.482) 2.531 2.213 ( 0.463 3.467 -0.046) 3.498 2.226 ( -0.963 -0.976 1.237) 1.847 2.297 ( 1.832 -6.165 -0.883) 6.491 2.467 ( -4.613 -4.040 2.933) 6.798 2.530 ( 2.651 -6.500 -2.727) 7.531 2.623 ( 0.337 -8.735 0.457) 8.753 2.887 ( 0.034 10.281 -0.009) 10.281 3.051 ( -0.119 6.230 1.148) 6.336 3.078 ( -0.032 4.622 0.245) 4.629 3.189 ( -0.176 7.215 -0.666) 7.248 3.422 ( 0.826 0.083 1.337) 1.574 3.461 ( -0.475 -2.469 -1.766) 3.072 3.707 ( 0.053 7.889 0.181) 7.891 3.758 ( -0.130 3.538 -0.051) 3.540 3.898 ( 0.206 10.939 0.771) 10.969 4.057 ( -0.086 5.214 -0.347) 5.226 4.823 ( 0.300 6.106 0.219) 6.117 4.891 ( -0.397 8.249 -1.346) 8.368 4.955 ( -0.543 4.128 0.742) 4.229 5.099 ( 0.222 5.686 -0.673) 5.730 5.354 ( 0.531 12.129 0.382) 12.146 5.392 ( -0.084 1.859 0.678) 1.980 5.656 ( -0.361 -4.170 -0.772) 4.257 5.857 ( 1.307 3.608 2.084) 4.367 5.904 ( 0.032 3.246 -0.284) 3.259 6.064 ( -1.577 -1.417 -1.166) 2.419 6.139 ( -0.009 -8.197 0.421) 8.208 6.297 ( 0.496 -6.861 0.271) 6.884 6.508 ( 2.429 2.877 0.335) 3.780 6.525 ( -0.123 2.214 1.951) 2.953 6.588 ( -2.951 4.776 -1.209) 5.742 6.695 ( -0.461 6.016 -4.889) 7.766 6.802 ( 0.701 4.396 1.357) 4.653 6.929 ( -0.410 -1.856 2.074) 2.813 7.045 ( -1.677 2.433 -0.493) 2.996 7.062 ( 0.859 1.527 -1.513) 2.315 7.121 ( 1.885 -0.504 0.823) 2.118 7.164 ( -0.770 3.725 -0.977) 3.927 7.214 ( 0.397 6.237 0.391) 6.262 7.318 ( 1.547 1.357 2.403) 3.163 7.488 ( -1.456 -5.169 0.312) 5.379 7.531 ( -0.077 -1.392 -1.094) 1.772 7.618 ( 0.490 -1.678 2.033) 2.681 7.679 ( -0.693 -2.837 -1.431) 3.252 7.777 ( 0.556 4.370 0.413) 4.425 7.922 ( 1.418 2.104 -1.518) 2.956 7.951 ( -1.170 0.658 -0.203) 1.357 7.979 ( -0.467 1.120 -1.481) 1.914 8.070 ( -0.307 1.305 -0.478) 1.424 8.137 ( -0.784 -0.052 0.344) 0.857 8.243 ( 1.812 2.400 3.990) 4.996 8.319 ( -0.642 0.699 -3.232) 3.369 8.410 ( -0.326 1.426 1.252) 1.926 8.443 ( 0.170 0.980 -1.151) 1.522 8.524 ( 0.282 0.867 2.078) 2.270 8.578 ( -0.392 -0.620 -0.910) 1.169 8.669 ( 0.188 5.085 -0.947) 5.176 8.874 ( -0.319 -2.241 -0.268) 2.279 9.030 ( -0.278 2.135 0.433) 2.196 9.064 ( 0.545 0.745 0.654) 1.131 ======================= Grid point 122 (60/70) ======================= q-point: ( 0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -2.164 -0.233 0.089) 2.179 1.256 ( -1.341 0.837 0.130) 1.586 1.313 ( -1.035 4.517 -0.572) 4.669 1.361 ( 0.941 2.537 0.688) 2.792 1.428 ( -0.277 4.159 0.019) 4.168 1.444 ( -0.686 2.427 0.257) 2.535 1.534 ( -0.028 1.827 -0.908) 2.041 1.671 ( -0.319 -2.717 -0.043) 2.736 1.693 ( -4.842 3.386 -0.537) 5.932 1.782 ( -1.906 2.480 -0.329) 3.145 1.883 ( 1.191 2.057 1.594) 2.862 1.934 ( 2.082 0.700 1.860) 2.878 1.978 ( 0.693 2.838 0.454) 2.957 1.986 ( 2.369 4.771 0.875) 5.398 2.036 ( -1.351 1.333 0.977) 2.134 2.046 ( -1.933 -4.277 -5.256) 7.047 2.096 ( 2.477 1.094 -0.455) 2.746 2.138 ( 4.663 -1.568 -0.071) 4.920 2.210 ( -2.904 -4.717 1.308) 5.692 2.231 ( 2.135 2.204 -1.138) 3.273 2.267 ( 0.176 1.690 -1.393) 2.197 2.467 ( 2.045 -6.518 4.501) 8.181 2.613 ( 6.365 -3.478 -2.315) 7.613 2.663 ( 3.227 -9.332 -0.185) 9.876 2.873 ( -1.368 10.204 -0.128) 10.296 3.050 ( -0.615 6.336 1.246) 6.486 3.083 ( 0.551 4.129 0.247) 4.173 3.167 ( -2.503 6.940 -0.176) 7.380 3.386 ( -3.912 1.606 -0.289) 4.239 3.436 ( -1.321 -3.553 -0.610) 3.840 3.661 ( -4.743 6.307 -0.041) 7.892 3.745 ( -1.292 1.549 0.141) 2.022 3.943 ( 3.437 8.870 0.072) 9.513 4.038 ( -1.384 6.361 0.030) 6.510 4.784 ( -2.590 5.333 -0.173) 5.931 4.887 ( -0.515 5.141 -0.527) 5.193 4.933 ( -1.661 5.155 1.274) 5.564 5.090 ( -1.154 4.791 -0.529) 4.957 5.391 ( 0.354 2.498 0.096) 2.524 5.483 ( 10.243 10.925 -0.074) 14.976 5.617 ( -3.235 -3.800 0.228) 4.996 5.855 ( -0.986 3.360 -1.429) 3.783 5.934 ( 3.402 3.453 -0.150) 4.850 6.047 ( 0.488 0.983 1.764) 2.078 6.184 ( 4.227 -7.229 0.571) 8.394 6.387 ( 5.285 -3.048 -1.451) 6.271 6.465 ( 0.710 2.986 0.097) 3.071 6.572 ( 1.735 2.869 2.031) 3.920 6.611 ( 1.592 1.000 -1.170) 2.215 6.686 ( 2.464 6.854 -0.287) 7.289 6.798 ( -1.475 4.660 -0.222) 4.893 6.900 ( -3.284 -1.666 1.284) 3.900 6.995 ( -3.433 4.636 0.021) 5.769 7.065 ( -1.356 -0.442 -0.842) 1.656 7.120 ( -1.090 -2.007 -1.523) 2.745 7.143 ( -1.493 4.109 0.916) 4.467 7.215 ( 0.176 6.369 -0.127) 6.373 7.342 ( 0.275 1.407 -1.663) 2.196 7.460 ( -2.730 -5.753 2.952) 7.019 7.501 ( -1.924 -0.870 -1.092) 2.377 7.640 ( -0.322 -1.397 0.686) 1.590 7.664 ( -0.466 -2.277 0.674) 2.420 7.728 ( -3.190 3.645 -0.856) 4.919 7.872 ( -4.077 2.136 -1.501) 4.841 7.956 ( 1.601 1.081 -0.305) 1.956 7.985 ( 0.290 -1.156 0.400) 1.257 8.078 ( 0.447 1.618 0.111) 1.682 8.156 ( 1.792 -0.107 1.336) 2.237 8.294 ( 0.236 1.962 -3.283) 3.832 8.301 ( 2.186 1.146 1.741) 3.021 8.401 ( -1.257 2.463 1.014) 2.946 8.426 ( -1.555 0.010 -0.241) 1.574 8.541 ( 1.516 2.178 0.193) 2.660 8.582 ( 1.140 0.477 0.336) 1.281 8.695 ( 2.370 4.648 -1.048) 5.321 8.877 ( 0.512 -2.160 0.480) 2.272 8.994 ( -3.286 2.637 0.680) 4.268 9.076 ( 0.292 -0.226 -0.440) 0.574 ======================= Grid point 123 (61/70) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -1.401 1.506 0.009) 2.057 1.231 ( -1.289 1.256 0.263) 1.819 1.295 ( -0.556 4.747 0.008) 4.780 1.376 ( -0.205 2.554 1.610) 3.026 1.403 ( -2.157 6.355 -0.906) 6.772 1.434 ( -0.261 2.896 1.364) 3.212 1.533 ( 0.858 4.085 -1.243) 4.355 1.610 ( -3.093 1.631 -1.252) 3.714 1.660 ( -0.894 -2.059 0.060) 2.246 1.768 ( -0.151 1.389 0.857) 1.640 1.910 ( -0.695 0.540 1.560) 1.791 1.930 ( -0.038 5.789 0.650) 5.826 1.944 ( -5.296 0.751 -5.473) 7.652 2.001 ( 1.416 1.494 -0.312) 2.082 2.035 ( 2.091 1.413 1.375) 2.874 2.052 ( 0.362 1.815 0.384) 1.890 2.120 ( 1.743 0.660 1.571) 2.437 2.185 ( 0.390 -2.455 0.432) 2.523 2.228 ( 1.774 -1.693 0.446) 2.493 2.274 ( 3.236 -2.850 -1.842) 4.689 2.322 ( 5.562 5.640 0.522) 7.938 2.536 ( 3.398 -5.895 -0.173) 6.807 2.689 ( 1.187 -4.758 -0.464) 4.925 2.724 ( 2.091 -1.695 -0.713) 2.784 2.868 ( 3.357 6.582 0.112) 7.390 3.040 ( -1.099 5.821 1.208) 6.046 3.087 ( -4.465 7.652 0.349) 8.866 3.103 ( 0.460 3.052 0.746) 3.176 3.330 ( -2.019 0.234 -0.751) 2.166 3.396 ( -2.912 -5.096 0.240) 5.874 3.555 ( -5.498 3.315 -0.944) 6.489 3.720 ( -1.209 -1.599 0.088) 2.007 3.976 ( -0.252 3.969 -0.132) 3.979 4.042 ( 1.932 9.600 0.124) 9.793 4.764 ( 0.407 3.663 0.003) 3.686 4.844 ( -3.231 0.920 0.172) 3.364 4.933 ( 1.039 5.459 0.600) 5.589 5.045 ( -3.387 3.400 -0.222) 4.804 5.398 ( 0.532 2.859 -0.344) 2.929 5.550 ( -2.940 0.842 0.442) 3.090 5.662 ( 6.559 7.516 -0.430) 9.985 5.854 ( 2.060 2.892 -0.109) 3.552 6.014 ( 4.303 3.714 -0.456) 5.703 6.080 ( 2.057 4.897 0.035) 5.311 6.253 ( 2.318 -5.673 0.370) 6.139 6.454 ( 5.748 5.879 2.972) 8.743 6.588 ( 0.319 3.235 -2.202) 3.926 6.597 ( 4.498 2.248 2.417) 5.580 6.618 ( 5.073 0.796 -0.872) 5.209 6.712 ( -2.979 4.403 -2.521) 5.884 6.797 ( 1.788 3.649 3.036) 5.073 6.835 ( -2.700 0.330 -0.598) 2.785 6.928 ( -3.395 3.126 -0.743) 4.674 6.972 ( -6.504 -1.040 -0.968) 6.657 7.095 ( -2.905 -3.400 -1.894) 4.857 7.109 ( -1.382 4.283 0.347) 4.513 7.243 ( 2.423 4.831 1.948) 5.745 7.315 ( -1.978 0.287 -2.800) 3.441 7.397 ( -4.097 -3.665 2.560) 6.063 7.465 ( -2.019 -0.763 -1.374) 2.559 7.573 ( -3.784 2.229 -0.340) 4.405 7.670 ( -1.030 -3.099 -1.047) 3.429 7.730 ( 3.100 0.292 0.942) 3.253 7.819 ( -1.268 0.745 2.336) 2.761 7.981 ( -0.492 -2.588 -1.352) 2.961 7.991 ( 1.606 0.494 -0.470) 1.744 8.075 ( -0.527 2.052 0.837) 2.278 8.191 ( 1.013 -0.364 0.906) 1.407 8.283 ( 0.157 1.937 -2.365) 3.061 8.340 ( 0.768 0.717 0.796) 1.318 8.378 ( -1.015 3.682 0.166) 3.823 8.402 ( -1.015 0.283 0.828) 1.340 8.586 ( 3.479 3.061 -1.398) 4.841 8.611 ( 1.160 2.499 1.241) 3.022 8.736 ( 2.421 4.681 -0.486) 5.292 8.875 ( -1.624 -0.258 -1.139) 2.001 8.942 ( -2.107 1.541 3.600) 4.447 9.067 ( -0.559 -1.695 -2.120) 2.772 ======================= Grid point 124 (62/70) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.578 3.153 -0.281) 3.218 1.215 ( -0.629 0.296 0.617) 0.929 1.294 ( 0.308 4.744 0.122) 4.756 1.363 ( -0.304 8.038 1.230) 8.137 1.386 ( -0.068 1.899 0.120) 1.904 1.442 ( 0.360 2.951 1.273) 3.234 1.547 ( -0.374 5.216 -0.339) 5.240 1.573 ( 1.124 0.780 -2.492) 2.843 1.652 ( 0.136 -1.868 -0.069) 1.875 1.774 ( 0.243 -0.451 2.390) 2.444 1.839 ( -3.422 2.304 -4.190) 5.880 1.891 ( 0.118 4.159 0.287) 4.171 1.962 ( 1.309 1.009 0.830) 1.849 2.016 ( 0.122 4.631 -1.074) 4.756 2.042 ( 0.017 -0.807 0.324) 0.870 2.065 ( 0.406 4.704 0.083) 4.722 2.172 ( 1.625 -0.546 2.972) 3.430 2.186 ( -0.787 -0.901 0.504) 1.298 2.226 ( -1.045 -0.546 0.094) 1.183 2.315 ( 1.605 -3.139 -2.102) 4.105 2.403 ( 0.406 5.043 0.457) 5.080 2.537 ( -2.975 -5.500 -2.472) 6.724 2.698 ( 0.481 -3.674 0.704) 3.771 2.722 ( 0.638 3.565 -0.002) 3.622 2.968 ( 1.299 7.886 -0.416) 8.003 3.007 ( -1.633 2.236 0.682) 2.852 3.039 ( 0.923 5.805 0.335) 5.888 3.114 ( -0.682 2.305 1.677) 2.931 3.291 ( -0.478 -3.170 -1.143) 3.403 3.372 ( 1.014 -4.825 1.714) 5.220 3.492 ( -0.291 2.368 -2.053) 3.148 3.708 ( -0.031 -3.016 0.048) 3.017 3.970 ( 0.059 3.363 0.036) 3.364 4.064 ( -0.173 9.034 -0.060) 9.036 4.785 ( 0.250 1.953 0.058) 1.970 4.799 ( -0.068 1.517 0.322) 1.552 4.964 ( 0.267 4.200 0.325) 4.221 4.988 ( -0.297 3.094 -0.197) 3.115 5.404 ( -0.026 3.134 -0.296) 3.148 5.517 ( -0.277 1.744 0.234) 1.781 5.707 ( -0.432 6.597 -0.844) 6.665 5.917 ( 2.034 3.085 2.177) 4.289 6.046 ( -0.432 -1.320 -1.017) 1.722 6.099 ( -1.144 13.331 -0.859) 13.408 6.271 ( -0.345 -5.970 0.859) 6.041 6.526 ( -0.195 6.168 -0.126) 6.173 6.606 ( -1.351 4.593 3.405) 5.875 6.647 ( 2.418 3.148 -0.485) 3.999 6.689 ( 4.178 5.803 -1.318) 7.271 6.722 ( 2.044 4.227 2.562) 5.349 6.744 ( -4.192 1.703 -0.581) 4.562 6.826 ( -1.275 1.705 -4.473) 4.954 6.869 ( -1.701 -0.352 1.437) 2.254 6.903 ( 0.462 1.808 -2.881) 3.433 7.024 ( -1.365 -6.042 1.105) 6.292 7.146 ( 4.424 2.162 3.314) 5.935 7.210 ( -4.663 -1.829 -3.460) 6.088 7.327 ( 1.613 6.529 0.467) 6.742 7.369 ( 0.538 -1.621 1.818) 2.495 7.416 ( -0.585 -1.534 -2.397) 2.906 7.556 ( 1.057 0.904 0.832) 1.621 7.625 ( -2.054 -1.002 -2.156) 3.142 7.793 ( 0.015 -0.766 0.997) 1.258 7.836 ( 2.795 -3.284 4.866) 6.502 7.943 ( -1.770 -2.118 -3.902) 4.780 8.010 ( 0.543 0.162 -0.884) 1.050 8.076 ( 0.059 3.472 1.189) 3.670 8.196 ( -0.483 0.302 0.231) 0.614 8.282 ( 0.320 1.527 -0.443) 1.622 8.352 ( 0.420 -0.550 -0.518) 0.865 8.366 ( -0.155 3.366 0.781) 3.459 8.391 ( -0.459 1.724 0.272) 1.805 8.612 ( -1.721 4.155 0.768) 4.562 8.639 ( 1.828 3.336 -0.965) 3.924 8.783 ( 2.748 3.482 0.816) 4.511 8.814 ( -3.165 3.304 -2.052) 5.014 8.952 ( 0.894 -0.976 4.610) 4.796 9.045 ( -0.606 -2.363 -3.253) 4.066 ======================= Grid point 125 (63/70) ======================= q-point: (-0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 1.614 2.957 -1.015) 3.518 1.221 ( 1.039 -0.528 1.193) 1.668 1.302 ( 0.446 5.618 -0.350) 5.646 1.384 ( 0.246 1.876 1.257) 2.272 1.393 ( 1.875 5.815 -0.008) 6.110 1.448 ( -0.034 2.635 0.239) 2.646 1.522 ( -1.222 3.061 -0.866) 3.408 1.624 ( 4.508 3.217 -2.241) 5.975 1.664 ( 1.166 -1.842 -0.295) 2.199 1.787 ( -1.021 1.995 -1.392) 2.638 1.808 ( 1.945 -0.603 5.480) 5.847 1.923 ( 2.778 3.717 0.360) 4.654 1.965 ( -1.069 4.260 -1.712) 4.714 1.999 ( -1.089 1.482 -0.255) 1.856 2.041 ( -1.086 3.395 0.060) 3.565 2.074 ( 1.248 0.324 -0.710) 1.472 2.150 ( -2.627 0.565 -0.857) 2.820 2.193 ( 0.036 -0.613 2.408) 2.486 2.210 ( -1.462 -3.195 -0.477) 3.546 2.291 ( -3.955 -4.314 -2.555) 6.386 2.341 ( -4.236 5.490 -1.538) 7.103 2.470 ( -3.023 -5.309 4.267) 7.452 2.699 ( -1.254 -6.043 -0.222) 6.176 2.731 ( -2.690 -0.718 -1.510) 3.167 2.874 ( -3.503 6.172 -0.334) 7.105 3.029 ( 1.675 7.064 1.482) 7.410 3.093 ( 0.047 3.589 0.589) 3.637 3.117 ( 3.299 6.082 -0.202) 6.922 3.309 ( 1.839 -0.550 0.247) 1.936 3.420 ( 2.399 -4.119 -0.994) 4.870 3.542 ( 6.113 3.470 -0.228) 7.033 3.720 ( 1.229 -1.832 0.098) 2.208 3.975 ( -0.132 3.840 -0.099) 3.843 4.040 ( -1.631 9.467 0.266) 9.610 4.766 ( -0.472 3.385 -0.115) 3.419 4.847 ( 3.249 1.325 -0.051) 3.509 4.939 ( -0.849 5.283 0.276) 5.358 5.043 ( 3.512 3.412 -0.086) 4.898 5.392 ( -0.905 3.054 0.032) 3.186 5.548 ( 3.183 1.516 0.513) 3.563 5.653 ( -5.906 7.054 0.094) 9.201 5.883 ( -4.413 3.860 -2.033) 6.205 6.007 ( -3.911 3.634 -0.061) 5.339 6.057 ( -1.391 5.043 1.626) 5.478 6.249 ( -2.594 -7.331 0.711) 7.809 6.509 ( -2.620 5.260 -0.804) 5.932 6.557 ( -3.070 4.476 1.617) 5.663 6.613 ( -8.708 1.144 0.347) 8.790 6.642 ( -3.444 1.417 -1.708) 4.097 6.685 ( 2.258 3.922 -1.491) 4.765 6.816 ( 0.697 3.167 1.030) 3.403 6.846 ( 5.067 1.460 -1.491) 5.480 6.894 ( 4.717 3.552 2.186) 6.296 6.960 ( 5.376 0.281 -0.316) 5.392 7.065 ( 2.594 -3.655 0.720) 4.539 7.124 ( -1.364 1.522 -1.700) 2.659 7.249 ( 2.836 1.594 2.246) 3.953 7.292 ( -2.433 5.299 -1.399) 5.996 7.426 ( 2.829 1.808 1.830) 3.824 7.460 ( 5.113 -6.337 -2.714) 8.582 7.580 ( 1.958 1.423 -0.870) 2.572 7.618 ( 1.524 -0.089 2.261) 2.728 7.750 ( -3.224 -0.887 -0.022) 3.344 7.900 ( -0.789 -0.272 -4.465) 4.542 7.925 ( 3.814 -3.656 3.673) 6.435 7.997 ( -1.606 0.042 -0.846) 1.816 8.088 ( 0.823 2.349 -0.011) 2.488 8.183 ( -1.084 0.244 1.427) 1.809 8.271 ( -1.656 2.050 -1.251) 2.917 8.349 ( -0.004 1.278 -0.461) 1.359 8.378 ( 0.785 2.946 0.466) 3.084 8.403 ( 1.607 -0.095 0.783) 1.790 8.561 ( -3.464 3.860 0.403) 5.202 8.629 ( -2.064 2.291 -0.166) 3.088 8.757 ( -2.343 4.512 -2.170) 5.528 8.842 ( 2.754 2.012 1.652) 3.790 9.001 ( 2.108 -0.815 3.931) 4.535 9.021 ( -0.289 -1.327 -3.657) 3.901 ======================= Grid point 126 (64/70) ======================= q-point: (-0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 1.953 0.057 -0.335) 1.982 1.253 ( 1.598 0.294 0.391) 1.671 1.309 ( 0.566 6.243 -0.203) 6.272 1.377 ( -1.133 0.683 -0.338) 1.365 1.425 ( 0.778 3.930 0.088) 4.007 1.447 ( -0.085 2.769 0.142) 2.774 1.509 ( 0.203 1.778 0.743) 1.938 1.682 ( 0.908 -2.925 -0.686) 3.139 1.708 ( 4.809 3.823 -2.104) 6.494 1.783 ( 0.953 2.070 -0.539) 2.342 1.877 ( 0.279 1.846 5.153) 5.481 1.913 ( -0.457 1.197 0.677) 1.449 1.966 ( 0.097 2.668 0.540) 2.724 1.993 ( -1.175 3.147 -0.728) 3.437 2.018 ( -0.575 0.359 -0.795) 1.044 2.068 ( -0.558 1.738 -1.422) 2.314 2.113 ( -1.672 0.993 -1.729) 2.602 2.137 ( -4.436 -3.240 -0.612) 5.527 2.197 ( -0.786 -3.817 2.234) 4.492 2.240 ( 1.950 -2.441 -1.599) 3.509 2.273 ( -2.722 3.625 -1.814) 4.883 2.468 ( 0.321 -5.375 4.944) 7.310 2.611 ( -6.082 -4.268 -3.026) 8.023 2.656 ( -3.646 -9.341 0.717) 10.053 2.874 ( 1.167 10.266 -0.176) 10.334 3.049 ( -0.020 6.221 1.262) 6.348 3.082 ( -0.553 4.575 0.341) 4.621 3.178 ( 2.098 6.865 -0.803) 7.223 3.365 ( 3.943 1.306 0.708) 4.213 3.450 ( 1.655 -3.336 -1.216) 3.917 3.657 ( 5.043 6.491 0.256) 8.223 3.746 ( 1.348 1.425 0.026) 1.962 3.935 ( -3.518 8.778 0.550) 9.473 4.043 ( 1.345 6.248 -0.235) 6.396 4.783 ( 2.389 5.190 -0.112) 5.714 4.892 ( 1.243 4.989 -0.729) 5.193 4.944 ( 1.030 5.142 0.555) 5.274 5.088 ( 1.377 5.034 -0.468) 5.240 5.382 ( -0.386 2.828 0.640) 2.925 5.480 ( -10.508 10.849 0.137) 15.104 5.625 ( 3.703 -2.819 -0.245) 4.661 5.830 ( -0.240 2.933 0.301) 2.958 5.933 ( -3.164 4.374 -0.104) 5.400 6.062 ( 1.019 -0.000 0.631) 1.198 6.185 ( -4.203 -8.435 0.485) 9.437 6.387 ( -7.740 -2.917 -1.119) 8.347 6.487 ( -2.540 4.329 -1.417) 5.215 6.535 ( -1.295 2.270 1.634) 3.082 6.632 ( 0.048 2.758 0.463) 2.797 6.716 ( 1.003 3.814 -2.212) 4.522 6.789 ( -1.237 4.652 -0.373) 4.828 6.906 ( 1.884 -1.193 1.647) 2.772 7.015 ( 5.763 4.330 -2.476) 7.622 7.049 ( 2.985 -0.443 0.938) 3.160 7.082 ( 0.307 -1.105 1.267) 1.709 7.152 ( 2.578 2.904 0.120) 3.885 7.218 ( -2.223 8.609 -0.501) 8.906 7.297 ( 0.106 -0.156 1.572) 1.584 7.479 ( 2.295 -0.284 1.223) 2.616 7.520 ( 1.757 -5.882 -2.182) 6.515 7.619 ( -0.100 -1.907 1.805) 2.628 7.682 ( 3.420 -0.728 0.278) 3.508 7.713 ( 1.334 3.613 -0.488) 3.882 7.892 ( 1.699 1.931 -2.527) 3.606 7.962 ( -1.127 0.631 -0.711) 1.475 7.989 ( 1.474 -2.022 0.123) 2.505 8.088 ( -0.718 0.797 -0.758) 1.313 8.169 ( -1.568 -0.811 1.333) 2.212 8.226 ( -1.921 3.711 1.328) 4.384 8.341 ( -0.592 1.045 -1.708) 2.088 8.401 ( 0.946 1.815 1.034) 2.293 8.435 ( 1.318 0.374 -0.856) 1.616 8.516 ( -1.145 2.442 1.685) 3.180 8.593 ( -1.290 0.550 -0.217) 1.420 8.703 ( -2.630 4.764 -1.598) 5.671 8.879 ( 0.388 -0.866 0.560) 1.102 9.014 ( 0.987 1.048 -1.132) 1.831 9.048 ( 1.246 0.329 1.787) 2.203 ======================= Grid point 127 (65/70) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.106 -0.049 0.144) 0.185 1.242 ( 0.154 -2.085 0.165) 2.097 1.391 ( -0.336 2.298 0.091) 2.324 1.409 ( 0.184 1.994 -0.382) 2.038 1.461 ( -0.208 0.349 -0.392) 0.565 1.489 ( -0.037 -0.432 0.127) 0.452 1.528 ( 0.243 3.018 -0.037) 3.028 1.607 ( 0.153 -3.933 -0.022) 3.936 1.798 ( 0.370 -1.217 0.742) 1.472 1.811 ( -0.401 -2.069 -0.092) 2.109 1.841 ( 0.292 0.667 -0.646) 0.973 1.868 ( -0.946 -1.710 -1.194) 2.290 1.948 ( 0.160 1.419 0.339) 1.468 2.001 ( 0.766 -2.504 0.888) 2.765 2.061 ( -0.095 2.481 -0.213) 2.492 2.093 ( 0.124 -0.563 0.389) 0.696 2.128 ( 0.266 7.313 -0.558) 7.339 2.149 ( -0.139 1.856 0.250) 1.878 2.172 ( 0.644 -1.362 1.617) 2.210 2.260 ( 0.600 4.032 -0.737) 4.143 2.303 ( -2.822 -7.689 -0.057) 8.191 2.345 ( 0.470 -2.211 -1.615) 2.778 2.415 ( 0.478 -0.036 1.964) 2.022 2.500 ( 0.258 -5.384 -0.847) 5.457 3.093 ( -0.141 9.926 -0.242) 9.930 3.131 ( 0.159 2.057 0.499) 2.123 3.141 ( -0.268 1.907 0.016) 1.926 3.287 ( -0.464 -5.170 -0.496) 5.215 3.328 ( 0.585 1.392 0.406) 1.564 3.408 ( 0.142 -3.413 -0.217) 3.422 3.820 ( -0.042 3.274 0.217) 3.282 3.832 ( -0.078 2.076 0.150) 2.083 4.069 ( 0.177 5.959 0.292) 5.968 4.124 ( -0.004 0.594 -0.091) 0.601 4.924 ( 0.072 3.634 0.086) 3.636 4.959 ( 0.044 0.154 -0.508) 0.532 5.094 ( -0.300 7.112 -0.097) 7.119 5.167 ( -0.022 0.251 -0.237) 0.346 5.443 ( -0.126 3.366 -0.060) 3.369 5.508 ( 0.006 -1.102 0.090) 1.106 5.661 ( -0.334 8.788 -1.202) 8.876 5.859 ( 0.627 -7.804 -0.396) 7.839 5.935 ( -0.046 2.823 1.137) 3.044 5.989 ( 0.680 -3.274 1.561) 3.690 6.078 ( -0.695 1.618 0.134) 1.766 6.159 ( -0.099 -6.179 0.181) 6.182 6.542 ( -0.274 1.095 -1.339) 1.751 6.551 ( 0.351 0.308 -0.684) 0.828 6.690 ( -0.659 5.154 0.288) 5.204 6.768 ( 0.791 -1.041 -0.669) 1.468 6.880 ( 0.415 2.677 1.651) 3.172 6.892 ( -0.513 0.051 1.622) 1.702 7.059 ( 0.166 -0.449 0.669) 0.823 7.066 ( -0.097 -0.494 -0.235) 0.556 7.176 ( 0.325 5.870 -1.213) 6.003 7.259 ( -0.158 4.316 -0.867) 4.405 7.294 ( -0.092 -2.537 2.033) 3.252 7.346 ( -0.126 -4.164 -2.567) 4.893 7.364 ( -0.287 3.682 0.058) 3.693 7.478 ( -0.154 -4.470 -0.375) 4.488 7.597 ( 0.297 -0.008 1.237) 1.272 7.622 ( -0.091 -2.412 -1.188) 2.691 7.870 ( 0.113 4.661 1.334) 4.849 7.944 ( -0.334 -1.571 0.885) 1.834 7.951 ( -0.080 0.367 -1.344) 1.396 7.964 ( 0.586 -1.283 -0.887) 1.666 8.104 ( 0.149 1.765 -0.363) 1.808 8.130 ( -0.196 -0.770 0.340) 0.864 8.288 ( 0.731 2.007 1.179) 2.440 8.318 ( -0.346 -0.879 -1.419) 1.705 8.436 ( -0.249 1.355 1.201) 1.828 8.454 ( -0.119 -0.195 -0.323) 0.396 8.546 ( 0.191 1.206 0.571) 1.348 8.566 ( -0.103 -0.756 -0.554) 0.943 8.759 ( -0.161 3.913 -0.659) 3.971 8.824 ( -0.306 -2.756 -0.583) 2.833 9.065 ( 0.001 1.219 0.542) 1.334 9.075 ( 0.294 0.168 0.541) 0.638 ======================= Grid point 128 (66/70) ======================= q-point: ( 0.17 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.696 0.919 0.306) 1.193 1.243 ( -0.146 -1.790 -0.080) 1.797 1.384 ( -0.607 2.419 0.292) 2.511 1.407 ( -0.344 0.694 -0.181) 0.796 1.470 ( 1.150 2.259 0.110) 2.538 1.510 ( 1.382 2.511 -0.140) 2.870 1.541 ( 1.662 0.185 -0.380) 1.715 1.607 ( -0.197 -3.563 -0.254) 3.577 1.759 ( -3.190 2.153 0.552) 3.888 1.785 ( -1.851 0.506 -0.701) 2.043 1.887 ( -0.027 -3.509 1.371) 3.768 1.895 ( 3.442 -3.933 0.109) 5.227 1.948 ( 2.455 1.785 -0.664) 3.107 2.004 ( -0.284 -2.543 -0.485) 2.605 2.044 ( -0.738 1.793 -0.958) 2.163 2.071 ( -1.440 -0.053 0.202) 1.455 2.132 ( 0.771 2.007 -0.134) 2.154 2.154 ( -0.664 1.529 0.770) 1.836 2.182 ( 1.313 3.536 -0.614) 3.821 2.281 ( 1.118 3.795 -1.376) 4.188 2.313 ( 2.611 -4.895 3.530) 6.576 2.364 ( 3.240 0.242 -0.914) 3.375 2.491 ( 5.679 -4.344 0.673) 7.181 2.533 ( 3.755 -5.070 -1.276) 6.436 3.070 ( -2.218 8.488 0.212) 8.776 3.131 ( -0.775 0.805 0.259) 1.147 3.145 ( 0.708 3.952 0.367) 4.032 3.268 ( -1.731 -1.373 0.473) 2.260 3.317 ( -1.823 -2.260 -0.787) 3.009 3.373 ( -3.364 -2.586 -0.491) 4.271 3.756 ( -6.294 3.273 0.120) 7.095 3.783 ( -4.777 0.698 0.216) 4.832 4.079 ( 0.444 5.059 -0.098) 5.080 4.124 ( 0.277 1.064 0.035) 1.099 4.877 ( -3.730 3.621 -0.077) 5.199 4.918 ( -3.608 -0.493 -0.317) 3.655 5.066 ( -2.426 6.041 0.297) 6.517 5.137 ( -3.018 -0.582 0.019) 3.074 5.447 ( 0.662 3.425 0.128) 3.491 5.525 ( 0.482 -4.078 0.132) 4.108 5.716 ( 6.140 10.442 -0.051) 12.114 5.876 ( 1.004 -3.964 -1.248) 4.276 5.969 ( 3.561 2.483 0.591) 4.381 6.043 ( 3.195 -5.050 -0.241) 5.980 6.129 ( 7.158 5.831 1.194) 9.309 6.271 ( 10.403 -7.463 0.315) 12.807 6.529 ( 0.309 2.960 -0.384) 3.000 6.575 ( 2.127 -1.523 -0.948) 2.783 6.681 ( -0.448 4.772 1.007) 4.897 6.760 ( -0.831 -1.509 -1.421) 2.233 6.879 ( -0.985 2.087 1.131) 2.570 6.881 ( -1.443 2.017 1.192) 2.751 7.036 ( -3.278 -0.090 0.054) 3.279 7.052 ( -1.192 -1.618 0.269) 2.028 7.138 ( -3.593 5.547 -1.516) 6.781 7.241 ( -1.742 3.522 -0.058) 3.930 7.279 ( -2.848 -4.102 1.554) 5.230 7.329 ( -0.760 -2.940 -2.601) 3.998 7.378 ( 1.523 3.876 0.751) 4.232 7.470 ( -0.411 -3.131 0.318) 3.174 7.605 ( -0.142 -1.253 0.869) 1.532 7.614 ( -0.382 -1.791 -0.966) 2.071 7.822 ( -4.380 4.786 0.517) 6.508 7.891 ( -4.515 -1.189 0.585) 4.706 7.956 ( -0.067 -0.586 -1.050) 1.204 7.962 ( 0.808 -0.548 -0.574) 1.133 8.116 ( 0.775 2.009 -0.367) 2.185 8.148 ( 1.455 -0.992 0.372) 1.800 8.311 ( 0.553 0.693 -1.256) 1.538 8.320 ( 1.302 0.016 0.474) 1.386 8.430 ( -0.762 1.082 1.083) 1.710 8.440 ( -1.079 0.364 0.084) 1.142 8.572 ( 2.448 1.103 -0.047) 2.686 8.585 ( 2.354 -0.198 -0.075) 2.364 8.777 ( 1.875 3.468 -0.146) 3.945 8.833 ( 1.151 -2.349 0.238) 2.627 9.041 ( -2.528 1.940 0.255) 3.196 9.068 ( -1.304 -0.800 -0.132) 1.535 ======================= Grid point 129 (67/70) ======================= q-point: ( 0.33 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.587 1.672 0.613) 1.875 1.235 ( -0.610 -1.211 -0.472) 1.436 1.371 ( -0.908 2.151 0.588) 2.408 1.395 ( -0.720 -0.591 -0.093) 0.936 1.492 ( 0.826 4.927 0.258) 5.002 1.518 ( 0.008 5.038 -0.438) 5.057 1.575 ( 1.718 -0.752 -1.781) 2.586 1.601 ( -0.545 -3.249 1.024) 3.450 1.710 ( -1.994 3.503 0.361) 4.046 1.746 ( -1.809 2.121 0.420) 2.819 1.845 ( -2.731 -3.997 -1.478) 5.062 1.925 ( -0.563 -6.991 2.105) 7.323 2.002 ( 0.331 1.686 -0.747) 1.873 2.024 ( 3.227 1.142 -0.526) 3.463 2.055 ( 2.645 -0.287 -0.648) 2.739 2.077 ( 1.549 2.362 0.750) 2.922 2.136 ( 0.335 0.829 1.935) 2.132 2.181 ( -0.272 0.712 -0.719) 1.048 2.192 ( 1.972 1.981 -0.161) 2.800 2.269 ( -0.780 -1.091 -2.296) 2.659 2.418 ( 6.697 1.986 1.544) 7.154 2.459 ( 6.114 0.002 0.077) 6.114 2.573 ( 2.742 -3.640 -0.207) 4.562 2.631 ( 6.714 -6.243 -1.212) 9.247 3.018 ( -3.085 7.306 0.474) 7.945 3.107 ( -2.501 -0.656 0.902) 2.738 3.156 ( 0.199 3.649 0.854) 3.753 3.222 ( -3.311 5.300 0.068) 6.250 3.258 ( -3.808 -6.245 -1.164) 7.406 3.310 ( -2.458 -2.980 0.376) 3.882 3.627 ( -6.310 3.735 -0.463) 7.347 3.689 ( -4.450 -2.290 -0.011) 5.005 4.074 ( -0.695 5.103 -0.230) 5.155 4.135 ( 0.570 0.037 -0.071) 0.576 4.828 ( -1.272 2.410 -0.051) 2.725 4.853 ( -2.748 -0.185 -0.043) 2.754 5.024 ( -1.712 3.660 0.307) 4.052 5.071 ( -3.628 -0.767 0.183) 3.713 5.463 ( 0.778 3.448 -0.061) 3.535 5.524 ( -0.360 -2.521 0.311) 2.565 5.827 ( 4.033 7.110 0.468) 8.188 5.891 ( 1.501 0.359 0.709) 1.699 6.028 ( 2.114 1.163 -1.175) 2.683 6.107 ( 3.317 -6.056 -0.885) 6.961 6.302 ( 10.035 11.503 -0.019) 15.265 6.497 ( 12.470 -5.479 0.693) 13.638 6.590 ( 5.736 1.481 1.935) 6.232 6.619 ( 2.970 -0.376 -1.286) 3.258 6.682 ( 0.591 4.136 0.539) 4.213 6.750 ( 0.867 -1.813 -1.124) 2.302 6.831 ( -3.894 2.170 1.394) 4.671 6.867 ( -1.178 0.545 0.258) 1.323 6.938 ( -7.361 1.268 0.663) 7.499 7.001 ( -5.302 -4.048 0.000) 6.671 7.049 ( -4.438 6.069 -2.027) 7.787 7.197 ( -4.847 -7.574 1.879) 9.186 7.205 ( -2.224 4.851 -2.022) 5.707 7.292 ( -1.646 -3.433 -2.418) 4.511 7.414 ( 1.575 4.757 1.278) 5.171 7.468 ( -0.697 -0.051 1.066) 1.275 7.584 ( -1.691 -0.434 -0.488) 1.813 7.607 ( -0.434 -2.853 -0.106) 2.888 7.768 ( -0.943 2.976 0.253) 3.132 7.820 ( -3.047 -1.498 1.373) 3.662 7.950 ( 0.007 0.428 -1.769) 1.820 7.979 ( 1.112 -1.567 -0.867) 2.109 8.128 ( 0.716 2.855 0.531) 2.991 8.174 ( 1.222 -1.575 0.339) 2.022 8.312 ( 0.003 1.196 -0.802) 1.440 8.333 ( -0.258 -0.868 0.085) 0.910 8.420 ( -0.665 1.212 0.382) 1.434 8.427 ( -0.374 0.730 0.546) 0.985 8.632 ( 3.829 1.484 -0.417) 4.127 8.642 ( 3.153 0.504 0.419) 3.220 8.812 ( 1.499 2.954 0.543) 3.356 8.855 ( 0.575 -1.541 0.902) 1.876 8.986 ( -3.099 2.421 0.210) 3.938 9.031 ( -2.070 -2.055 -1.354) 3.216 ======================= Grid point 130 (68/70) ======================= q-point: (-0.50 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.320 1.168 1.005) 1.574 1.221 ( -0.514 -0.419 -0.834) 1.066 1.364 ( 0.131 1.807 0.526) 1.887 1.387 ( -0.058 -0.947 -0.057) 0.950 1.502 ( 0.326 5.448 -0.013) 5.458 1.514 ( -0.299 5.493 -0.027) 5.501 1.576 ( -0.767 -0.794 -0.469) 1.200 1.609 ( 1.293 -2.267 -0.875) 2.753 1.692 ( -0.024 2.442 0.100) 2.445 1.740 ( 0.571 4.892 2.259) 5.418 1.796 ( -1.444 -4.414 -2.160) 5.122 1.923 ( 0.055 -8.249 1.255) 8.344 2.007 ( 0.210 3.091 -0.325) 3.115 2.053 ( 0.383 5.760 -0.367) 5.785 2.082 ( 0.285 -0.809 0.178) 0.876 2.115 ( 0.801 2.559 0.784) 2.794 2.152 ( -0.594 -1.187 -0.731) 1.515 2.158 ( -0.533 -0.574 3.026) 3.125 2.211 ( -0.085 -0.163 -0.443) 0.480 2.249 ( -0.088 -3.077 -3.788) 4.881 2.481 ( -0.972 1.799 -0.358) 2.076 2.553 ( 1.763 3.511 -0.263) 3.937 2.592 ( -1.294 -1.929 0.650) 2.412 2.717 ( 0.758 -5.153 0.310) 5.218 3.007 ( 0.729 0.204 0.218) 0.788 3.030 ( -1.869 -0.855 -0.377) 2.090 3.163 ( 0.042 3.360 1.308) 3.606 3.182 ( 0.405 6.377 0.146) 6.391 3.216 ( 0.291 -2.385 -0.782) 2.527 3.297 ( 0.460 -4.226 1.057) 4.380 3.560 ( -0.180 4.244 -0.914) 4.345 3.644 ( -0.105 -3.875 -0.154) 3.879 4.065 ( -0.066 5.334 -0.146) 5.336 4.138 ( -0.148 -0.955 -0.084) 0.970 4.821 ( -0.038 1.330 0.015) 1.330 4.827 ( 0.212 0.794 -0.046) 0.823 5.018 ( 0.226 1.447 0.303) 1.496 5.026 ( -0.216 0.669 0.083) 0.708 5.470 ( -0.018 3.254 -0.155) 3.258 5.520 ( -0.084 -1.391 0.218) 1.411 5.846 ( -0.381 6.781 -0.362) 6.801 5.946 ( 1.993 -2.218 3.314) 4.458 6.031 ( -1.139 2.755 -2.458) 3.864 6.136 ( -0.107 -6.774 -0.727) 6.814 6.414 ( -1.151 16.203 -0.094) 16.244 6.625 ( 0.160 2.914 -0.131) 2.922 6.646 ( 1.030 -0.572 -0.214) 1.198 6.689 ( 0.561 -4.757 -2.589) 5.445 6.738 ( -1.822 2.674 3.657) 4.883 6.790 ( 5.502 2.448 0.848) 6.081 6.803 ( -4.133 -1.771 1.331) 4.689 6.812 ( 2.406 2.634 0.567) 3.613 6.852 ( -0.425 -1.332 0.494) 1.483 6.876 ( -3.713 -4.721 0.624) 6.038 6.997 ( 1.388 5.848 -2.779) 6.622 7.121 ( -0.944 -5.893 -1.621) 6.184 7.194 ( 0.475 2.604 0.073) 2.648 7.274 ( 0.655 -5.191 -1.893) 5.564 7.444 ( 1.382 3.488 1.036) 3.892 7.447 ( -1.542 2.798 0.691) 3.269 7.565 ( -0.057 0.154 0.006) 0.164 7.595 ( -0.416 -2.235 -0.619) 2.356 7.781 ( -0.102 -0.429 0.474) 0.648 7.786 ( 0.269 -1.334 1.428) 1.972 7.940 ( -0.192 1.814 -1.880) 2.620 7.988 ( 0.125 -2.218 -0.982) 2.429 8.146 ( 0.448 3.219 0.996) 3.399 8.191 ( 0.105 -1.178 0.503) 1.286 8.306 ( -0.039 0.976 -0.447) 1.074 8.326 ( -0.013 -1.155 -0.292) 1.192 8.413 ( -0.148 1.537 0.345) 1.582 8.424 ( -0.134 0.576 0.272) 0.651 8.674 ( -0.666 1.881 0.406) 2.036 8.683 ( 0.812 0.986 -0.240) 1.299 8.836 ( 1.181 1.893 1.113) 2.493 8.855 ( -0.758 0.372 0.208) 0.870 8.953 ( 0.007 1.414 1.101) 1.792 8.997 ( -0.525 -2.509 -2.239) 3.404 ======================= Grid point 131 (69/70) ======================= q-point: (-0.33 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.037 0.345 0.313) 0.467 1.219 ( 1.038 -0.136 0.080) 1.050 1.380 ( 1.237 1.632 0.171) 2.055 1.392 ( 0.508 -0.266 -0.020) 0.574 1.502 ( -0.299 5.068 -0.662) 5.120 1.507 ( -0.611 4.827 0.527) 4.894 1.557 ( -1.222 -0.115 -0.151) 1.237 1.625 ( 0.443 -4.214 -0.972) 4.348 1.713 ( 2.188 1.450 0.125) 2.628 1.767 ( 1.446 4.662 -1.308) 5.053 1.796 ( 1.959 -1.765 2.334) 3.521 1.940 ( 1.276 -7.913 0.772) 8.052 2.001 ( -0.777 0.805 -0.485) 1.220 2.036 ( -2.007 2.184 -1.360) 3.263 2.054 ( -3.795 1.133 -0.360) 3.977 2.086 ( -2.138 2.609 0.116) 3.376 2.143 ( 0.449 -0.398 0.798) 0.999 2.180 ( 0.106 0.224 2.310) 2.323 2.195 ( -1.816 -1.898 -1.895) 3.239 2.229 ( -0.030 -0.749 -0.608) 0.965 2.426 ( -4.542 2.611 1.274) 5.391 2.478 ( -6.020 6.283 -1.768) 8.880 2.553 ( -3.358 -7.177 1.460) 8.057 2.630 ( -7.666 -7.264 -1.151) 10.624 3.018 ( 3.455 7.040 0.453) 7.855 3.110 ( 3.258 -1.196 0.770) 3.555 3.162 ( -0.670 4.474 0.513) 4.553 3.224 ( 3.561 4.358 0.171) 5.631 3.252 ( 3.271 -3.776 -1.039) 5.103 3.324 ( 2.079 -4.567 -0.506) 5.043 3.620 ( 6.567 4.039 -0.048) 7.710 3.687 ( 4.487 -2.413 0.145) 5.097 4.071 ( 0.542 5.018 -0.006) 5.047 4.131 ( -0.584 -0.010 0.166) 0.607 4.828 ( 1.287 2.498 -0.063) 2.811 4.857 ( 2.858 -0.395 -0.288) 2.899 5.028 ( 1.753 3.578 0.103) 3.986 5.072 ( 3.712 -0.583 0.142) 3.761 5.461 ( -0.769 3.674 0.022) 3.754 5.526 ( 0.535 -2.569 0.213) 2.633 5.826 ( -2.565 8.549 0.408) 8.934 5.945 ( -3.907 -1.164 -3.498) 5.372 5.985 ( -1.336 1.650 2.561) 3.326 6.094 ( -3.933 -7.515 -0.178) 8.484 6.284 ( -9.948 12.675 1.053) 16.147 6.500 ( -12.703 -7.689 0.415) 14.855 6.619 ( -1.915 3.233 -1.228) 3.953 6.661 ( -6.337 3.245 -1.302) 7.238 6.664 ( -0.365 0.407 0.009) 0.547 6.719 ( -0.804 -0.840 1.256) 1.712 6.845 ( 2.036 0.274 0.232) 2.067 6.852 ( 0.536 -0.140 1.313) 1.425 6.939 ( 7.269 1.483 0.737) 7.455 6.975 ( 6.382 -2.224 0.848) 6.811 7.073 ( 5.473 7.078 -2.995) 9.435 7.160 ( 3.592 1.443 1.247) 4.067 7.221 ( 2.380 -2.050 0.564) 3.192 7.297 ( 3.096 -8.278 -3.072) 9.357 7.424 ( -1.336 5.706 0.445) 5.877 7.474 ( 1.177 1.519 0.658) 2.031 7.573 ( 0.681 -0.757 0.272) 1.055 7.602 ( 1.258 -2.376 0.211) 2.697 7.766 ( 0.239 2.661 0.390) 2.700 7.837 ( 3.401 -4.164 0.668) 5.418 7.931 ( -0.012 2.337 -1.009) 2.546 7.978 ( -0.744 -1.903 -0.708) 2.162 8.140 ( -1.056 2.525 -0.318) 2.755 8.177 ( -1.544 -1.044 0.199) 1.874 8.307 ( -0.148 1.516 -0.332) 1.559 8.334 ( 0.755 -1.372 -0.205) 1.579 8.417 ( 0.331 1.510 0.641) 1.674 8.428 ( 0.564 0.583 0.375) 0.894 8.625 ( -3.869 2.373 0.102) 4.540 8.651 ( -3.333 -0.151 -0.206) 3.343 8.830 ( -1.824 2.692 -0.630) 3.312 8.860 ( 0.264 -0.289 0.624) 0.736 8.992 ( 2.554 0.097 1.616) 3.024 9.002 ( 2.260 -0.785 -1.385) 2.764 ======================= Grid point 132 (70/70) ======================= q-point: (-0.17 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.325 0.396 0.123) 0.526 1.237 ( 0.505 -1.595 0.296) 1.699 1.396 ( 0.088 1.458 -0.519) 1.551 1.402 ( 0.673 1.443 0.268) 1.614 1.481 ( -1.403 2.476 -0.910) 2.988 1.499 ( -0.663 3.454 0.862) 3.621 1.534 ( -0.993 0.737 0.086) 1.239 1.614 ( -0.836 -4.680 -0.705) 4.806 1.762 ( 2.646 -0.132 0.268) 2.663 1.789 ( 1.582 1.499 -1.079) 2.432 1.856 ( 1.831 -0.043 2.160) 2.831 1.929 ( -4.272 -3.219 -0.369) 5.362 1.962 ( -3.848 -1.131 -2.048) 4.503 1.979 ( 0.969 -3.410 1.116) 3.716 2.032 ( 1.882 2.217 -0.082) 2.909 2.074 ( 0.682 0.894 0.047) 1.126 2.135 ( -1.764 0.302 -0.642) 1.901 2.161 ( -0.098 1.966 1.117) 2.263 2.175 ( -0.699 3.195 -0.787) 3.364 2.247 ( 0.474 2.290 1.647) 2.860 2.350 ( -2.436 -3.025 0.341) 3.899 2.384 ( -3.826 1.962 -2.197) 4.829 2.473 ( -5.906 -5.313 1.726) 8.129 2.524 ( -2.658 -5.212 -0.584) 5.880 3.073 ( 2.091 8.758 -0.017) 9.004 3.137 ( 0.138 0.817 -0.103) 0.835 3.146 ( -0.873 4.130 0.373) 4.237 3.289 ( 0.879 -7.227 -0.824) 7.326 3.293 ( 2.920 3.834 0.649) 4.863 3.372 ( 3.200 -3.177 -0.464) 4.533 3.754 ( 6.450 3.379 0.230) 7.285 3.783 ( 4.803 0.613 0.207) 4.846 4.073 ( -0.412 5.297 0.270) 5.320 4.124 ( -0.122 0.753 0.072) 0.766 4.876 ( 3.671 3.729 -0.034) 5.233 4.921 ( 3.648 -0.701 -0.457) 3.743 5.072 ( 2.420 5.828 -0.042) 6.310 5.139 ( 2.995 -0.455 -0.129) 3.032 5.448 ( -0.543 3.919 0.079) 3.957 5.529 ( -0.707 -3.832 -0.119) 3.898 5.730 ( -6.259 10.740 -1.027) 12.473 5.871 ( -1.911 -0.611 -0.953) 2.221 5.966 ( -2.355 -0.045 0.581) 2.426 6.012 ( -3.962 -7.099 2.040) 8.382 6.132 ( -6.005 6.092 0.870) 8.598 6.275 ( -10.638 -7.346 0.086) 12.928 6.560 ( -2.397 2.459 -2.496) 4.245 6.574 ( -1.863 1.062 -0.862) 2.311 6.685 ( 1.077 2.806 1.213) 3.241 6.741 ( 1.891 -1.761 -0.326) 2.605 6.865 ( 0.269 2.363 1.474) 2.798 6.882 ( 1.124 -0.214 1.543) 1.921 7.035 ( 2.792 -0.126 0.181) 2.800 7.049 ( 1.779 -1.299 0.272) 2.219 7.143 ( 3.519 7.683 -1.930) 8.668 7.230 ( 3.208 4.188 0.669) 5.318 7.271 ( 1.904 -3.124 1.706) 4.037 7.343 ( 2.157 -7.339 -2.888) 8.176 7.392 ( -2.164 6.222 -0.274) 6.593 7.483 ( -0.155 -1.441 -0.356) 1.493 7.587 ( 0.366 -0.599 1.160) 1.356 7.623 ( 0.650 -3.572 -0.647) 3.688 7.813 ( 4.106 5.176 0.947) 6.674 7.912 ( 4.170 -4.274 -0.218) 5.975 7.935 ( 0.637 1.434 -0.215) 1.584 7.962 ( -0.456 -0.807 -0.564) 1.085 8.117 ( -1.048 1.809 -0.368) 2.123 8.149 ( -1.486 -1.263 0.284) 1.971 8.292 ( -1.131 2.782 0.203) 3.010 8.335 ( -0.648 -1.494 -0.726) 1.783 8.429 ( 0.479 1.405 0.927) 1.750 8.446 ( 0.966 -0.034 -0.005) 0.967 8.564 ( -2.367 2.037 0.342) 3.142 8.592 ( -2.441 -0.743 -0.319) 2.571 8.788 ( -2.182 3.611 -0.833) 4.301 8.846 ( -1.384 -2.293 -0.515) 2.727 9.039 ( 2.249 1.140 0.303) 2.540 9.052 ( 2.077 -0.147 0.964) 2.295 =================== 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 3/18252 10.0 14.964 33.294 18.566 0.000 4.399 0.000 3/18252 20.0 3.853 14.264 5.032 0.000 0.955 0.000 3/18252 30.0 2.242 9.120 2.759 0.000 0.518 0.000 3/18252 40.0 1.620 6.719 1.894 0.000 0.354 0.000 3/18252 50.0 1.279 5.295 1.438 0.000 0.268 0.000 3/18252 60.0 1.061 4.351 1.157 0.000 0.215 0.000 3/18252 70.0 0.909 3.684 0.967 0.000 0.180 0.000 3/18252 80.0 0.797 3.190 0.831 0.000 0.155 0.000 3/18252 90.0 0.711 2.812 0.730 0.000 0.136 0.000 3/18252 100.0 0.642 2.515 0.651 0.000 0.121 0.000 3/18252 110.0 0.585 2.274 0.587 0.000 0.110 0.000 3/18252 120.0 0.538 2.076 0.536 0.000 0.100 0.000 3/18252 130.0 0.498 1.910 0.493 0.000 0.092 0.000 3/18252 140.0 0.464 1.768 0.456 0.000 0.085 0.000 3/18252 150.0 0.434 1.647 0.425 0.000 0.080 0.000 3/18252 160.0 0.408 1.541 0.398 0.000 0.075 0.000 3/18252 170.0 0.385 1.448 0.374 0.000 0.070 0.000 3/18252 180.0 0.364 1.366 0.353 0.000 0.066 0.000 3/18252 190.0 0.346 1.293 0.334 0.000 0.063 0.000 3/18252 200.0 0.329 1.227 0.317 0.000 0.060 0.000 3/18252 210.0 0.314 1.168 0.302 0.000 0.057 0.000 3/18252 220.0 0.300 1.114 0.288 0.000 0.054 0.000 3/18252 230.0 0.287 1.065 0.275 0.000 0.052 0.000 3/18252 240.0 0.275 1.020 0.264 0.000 0.050 0.000 3/18252 250.0 0.264 0.979 0.253 0.000 0.048 0.000 3/18252 260.0 0.255 0.941 0.243 0.000 0.046 0.000 3/18252 270.0 0.245 0.906 0.234 0.000 0.044 0.000 3/18252 280.0 0.237 0.873 0.226 0.000 0.043 0.000 3/18252 290.0 0.229 0.843 0.218 0.000 0.041 0.000 3/18252 300.0 0.221 0.815 0.211 0.000 0.040 0.000 3/18252 310.0 0.214 0.788 0.204 0.000 0.039 0.000 3/18252 320.0 0.208 0.763 0.198 0.000 0.037 0.000 3/18252 330.0 0.201 0.740 0.192 0.000 0.036 0.000 3/18252 340.0 0.196 0.718 0.186 0.000 0.035 0.000 3/18252 350.0 0.190 0.698 0.181 0.000 0.034 0.000 3/18252 360.0 0.185 0.678 0.176 0.000 0.033 0.000 3/18252 370.0 0.180 0.660 0.171 0.000 0.032 0.000 3/18252 380.0 0.175 0.642 0.166 0.000 0.031 0.000 3/18252 390.0 0.171 0.626 0.162 0.000 0.031 0.000 3/18252 400.0 0.167 0.610 0.158 0.000 0.030 0.000 3/18252 410.0 0.163 0.595 0.154 0.000 0.029 0.000 3/18252 420.0 0.159 0.581 0.150 0.000 0.028 0.000 3/18252 430.0 0.155 0.567 0.147 0.000 0.028 0.000 3/18252 440.0 0.152 0.554 0.144 0.000 0.027 0.000 3/18252 450.0 0.148 0.542 0.140 0.000 0.027 0.000 3/18252 460.0 0.145 0.530 0.137 0.000 0.026 0.000 3/18252 470.0 0.142 0.519 0.134 0.000 0.025 0.000 3/18252 480.0 0.139 0.508 0.132 0.000 0.025 0.000 3/18252 490.0 0.136 0.498 0.129 0.000 0.024 0.000 3/18252 500.0 0.134 0.488 0.126 0.000 0.024 0.000 3/18252 510.0 0.131 0.478 0.124 0.000 0.023 0.000 3/18252 520.0 0.128 0.469 0.122 0.000 0.023 0.000 3/18252 530.0 0.126 0.460 0.119 0.000 0.023 0.000 3/18252 540.0 0.124 0.452 0.117 0.000 0.022 0.000 3/18252 550.0 0.121 0.443 0.115 0.000 0.022 0.000 3/18252 560.0 0.119 0.435 0.113 0.000 0.021 0.000 3/18252 570.0 0.117 0.428 0.111 0.000 0.021 0.000 3/18252 580.0 0.115 0.420 0.109 0.000 0.021 0.000 3/18252 590.0 0.113 0.413 0.107 0.000 0.020 0.000 3/18252 600.0 0.111 0.406 0.105 0.000 0.020 0.000 3/18252 610.0 0.110 0.400 0.104 0.000 0.020 0.000 3/18252 620.0 0.108 0.393 0.102 0.000 0.019 0.000 3/18252 630.0 0.106 0.387 0.100 0.000 0.019 0.000 3/18252 640.0 0.104 0.381 0.099 0.000 0.019 0.000 3/18252 650.0 0.103 0.375 0.097 0.000 0.018 0.000 3/18252 660.0 0.101 0.369 0.096 0.000 0.018 0.000 3/18252 670.0 0.100 0.364 0.094 0.000 0.018 0.000 3/18252 680.0 0.098 0.359 0.093 0.000 0.018 0.000 3/18252 690.0 0.097 0.353 0.092 0.000 0.017 0.000 3/18252 700.0 0.096 0.348 0.090 0.000 0.017 0.000 3/18252 710.0 0.094 0.343 0.089 0.000 0.017 0.000 3/18252 720.0 0.093 0.339 0.088 0.000 0.017 0.000 3/18252 730.0 0.092 0.334 0.087 0.000 0.016 0.000 3/18252 740.0 0.090 0.329 0.085 0.000 0.016 0.000 3/18252 750.0 0.089 0.325 0.084 0.000 0.016 0.000 3/18252 760.0 0.088 0.321 0.083 0.000 0.016 0.000 3/18252 770.0 0.087 0.317 0.082 0.000 0.016 0.000 3/18252 780.0 0.086 0.313 0.081 0.000 0.015 0.000 3/18252 790.0 0.085 0.309 0.080 0.000 0.015 0.000 3/18252 800.0 0.084 0.305 0.079 0.000 0.015 0.000 3/18252 810.0 0.083 0.301 0.078 0.000 0.015 0.000 3/18252 820.0 0.082 0.297 0.077 0.000 0.015 0.000 3/18252 830.0 0.081 0.294 0.076 0.000 0.014 0.000 3/18252 840.0 0.080 0.290 0.075 0.000 0.014 0.000 3/18252 850.0 0.079 0.287 0.074 0.000 0.014 0.000 3/18252 860.0 0.078 0.283 0.074 0.000 0.014 0.000 3/18252 870.0 0.077 0.280 0.073 0.000 0.014 0.000 3/18252 880.0 0.076 0.277 0.072 0.000 0.014 0.000 3/18252 890.0 0.075 0.274 0.071 0.000 0.013 0.000 3/18252 900.0 0.074 0.271 0.070 0.000 0.013 0.000 3/18252 910.0 0.074 0.268 0.069 0.000 0.013 0.000 3/18252 920.0 0.073 0.265 0.069 0.000 0.013 0.000 3/18252 930.0 0.072 0.262 0.068 0.000 0.013 0.000 3/18252 940.0 0.071 0.259 0.067 0.000 0.013 0.000 3/18252 950.0 0.070 0.257 0.067 0.000 0.013 0.000 3/18252 960.0 0.070 0.254 0.066 0.000 0.012 0.000 3/18252 970.0 0.069 0.251 0.065 0.000 0.012 0.000 3/18252 980.0 0.068 0.249 0.065 0.000 0.012 0.000 3/18252 990.0 0.068 0.246 0.064 0.000 0.012 0.000 3/18252 1000.0 0.067 0.244 0.063 0.000 0.012 0.000 3/18252 Thermal conductivity related properties were written into "kappa-m6133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:36:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|