----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:39:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-6 (174) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.791953460417886 0.000000000000000 0.000000000000000 b -4.895976730208943 8.480080449396830 0.000000000000000 c 0.000000000000000 0.000000000000000 3.879298130000000 Atomic positions (fractional): *1 H 0.88275157401807 0.44308511614766 0.50000000000000 1.008 2 H 0.55691488385234 0.43966645787041 0.50000000000000 1.008 3 H 0.56033354212958 0.11724842598193 0.50000000000000 1.008 *4 H 0.22697417553619 0.94320392921468 0.50000000000000 1.008 5 H 0.05679607078532 0.28377024632151 0.50000000000000 1.008 6 H 0.71622975367849 0.77302582446381 0.50000000000000 1.008 *7 H 0.78686940632474 0.61053685529598 0.00000000000000 1.008 8 H 0.38946314470402 0.17633255102876 0.00000000000000 1.008 9 H 0.82366744897124 0.21313059367526 0.00000000000000 1.008 *10 H 0.60766731424791 0.90895323189016 0.00000000000000 1.008 11 H 0.30128591764226 0.39233268575209 0.00000000000000 1.008 12 H 0.09104676810984 0.69871408235774 0.00000000000000 1.008 *13 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 *14 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 *15 Sr 0.78419507081163 0.05072854672465 0.50000000000000 87.620 *16 Sr 0.36280877029408 0.92114972996440 0.00000000000000 87.620 17 Sr 0.07885027003560 0.44165904032968 0.00000000000000 87.620 18 Sr 0.55834095967032 0.63719122970592 0.00000000000000 87.620 *19 Sr 0.66666666666667 0.33333333333333 0.00000000000000 87.620 20 Sr 0.26653347591302 0.21580492918837 0.50000000000000 87.620 21 Sr 0.94927145327535 0.73346652408698 0.50000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.791953460417886 0.000000000000000 0.000000000000000 b -4.895976730208943 8.480080449396830 0.000000000000000 c 0.000000000000000 0.000000000000000 3.879298130000000 Atomic positions (fractional): *1 H 0.88275157401807 0.44308511614766 0.50000000000000 1.008 > 1 2 H 0.55691488385234 0.43966645787041 0.50000000000000 1.008 > 2 3 H 0.56033354212958 0.11724842598193 0.50000000000000 1.008 > 3 *4 H 0.22697417553619 0.94320392921468 0.50000000000000 1.008 > 4 5 H 0.05679607078532 0.28377024632151 0.50000000000000 1.008 > 5 6 H 0.71622975367849 0.77302582446381 0.50000000000000 1.008 > 6 *7 H 0.78686940632474 0.61053685529598 0.00000000000000 1.008 > 7 8 H 0.38946314470402 0.17633255102876 0.00000000000000 1.008 > 8 9 H 0.82366744897124 0.21313059367526 0.00000000000000 1.008 > 9 *10 H 0.60766731424791 0.90895323189016 0.00000000000000 1.008 > 10 11 H 0.30128591764226 0.39233268575209 0.00000000000000 1.008 > 11 12 H 0.09104676810984 0.69871408235774 0.00000000000000 1.008 > 12 *13 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 13 *14 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 > 14 *15 Sr 0.78419507081163 0.05072854672465 0.50000000000000 87.620 > 15 *16 Sr 0.36280877029408 0.92114972996440 0.00000000000000 87.620 > 16 17 Sr 0.07885027003560 0.44165904032968 0.00000000000000 87.620 > 17 18 Sr 0.55834095967032 0.63719122970592 0.00000000000000 87.620 > 18 *19 Sr 0.66666666666667 0.33333333333333 0.00000000000000 87.620 > 19 20 Sr 0.26653347591302 0.21580492918837 0.50000000000000 87.620 > 20 21 Sr 0.94927145327535 0.73346652408698 0.50000000000000 87.620 > 21 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.791953460417886 0.000000000000000 0.000000000000000 b -4.895976730208943 8.480080449396830 0.000000000000000 c 0.000000000000000 0.000000000000000 11.637894390000000 Atomic positions (fractional): *1 H 0.88275157401807 0.44308511614766 0.16666666666667 1.008 > 1 2 H 0.88275157401807 0.44308511614766 0.50000000000000 1.008 > 1 3 H 0.88275157401807 0.44308511614766 0.83333333333333 1.008 > 1 4 H 0.55691488385234 0.43966645787041 0.16666666666667 1.008 > 2 5 H 0.55691488385234 0.43966645787041 0.50000000000000 1.008 > 2 6 H 0.55691488385234 0.43966645787041 0.83333333333333 1.008 > 2 7 H 0.56033354212958 0.11724842598193 0.16666666666667 1.008 > 3 8 H 0.56033354212958 0.11724842598193 0.50000000000000 1.008 > 3 9 H 0.56033354212958 0.11724842598193 0.83333333333333 1.008 > 3 *10 H 0.22697417553619 0.94320392921468 0.16666666666667 1.008 > 4 11 H 0.22697417553619 0.94320392921468 0.50000000000000 1.008 > 4 12 H 0.22697417553619 0.94320392921468 0.83333333333333 1.008 > 4 13 H 0.05679607078532 0.28377024632151 0.16666666666667 1.008 > 5 14 H 0.05679607078532 0.28377024632151 0.50000000000000 1.008 > 5 15 H 0.05679607078532 0.28377024632151 0.83333333333333 1.008 > 5 16 H 0.71622975367849 0.77302582446381 0.16666666666667 1.008 > 6 17 H 0.71622975367849 0.77302582446381 0.50000000000000 1.008 > 6 18 H 0.71622975367849 0.77302582446381 0.83333333333333 1.008 > 6 *19 H 0.78686940632474 0.61053685529598 0.00000000000000 1.008 > 7 20 H 0.78686940632474 0.61053685529598 0.33333333333333 1.008 > 7 21 H 0.78686940632474 0.61053685529598 0.66666666666667 1.008 > 7 22 H 0.38946314470402 0.17633255102876 0.00000000000000 1.008 > 8 23 H 0.38946314470402 0.17633255102876 0.33333333333333 1.008 > 8 24 H 0.38946314470402 0.17633255102876 0.66666666666667 1.008 > 8 25 H 0.82366744897124 0.21313059367526 0.00000000000000 1.008 > 9 26 H 0.82366744897124 0.21313059367526 0.33333333333333 1.008 > 9 27 H 0.82366744897124 0.21313059367526 0.66666666666667 1.008 > 9 *28 H 0.60766731424791 0.90895323189016 0.00000000000000 1.008 > 10 29 H 0.60766731424791 0.90895323189016 0.33333333333333 1.008 > 10 30 H 0.60766731424791 0.90895323189016 0.66666666666667 1.008 > 10 31 H 0.30128591764226 0.39233268575209 0.00000000000000 1.008 > 11 32 H 0.30128591764226 0.39233268575209 0.33333333333333 1.008 > 11 33 H 0.30128591764226 0.39233268575209 0.66666666666667 1.008 > 11 34 H 0.09104676810984 0.69871408235774 0.00000000000000 1.008 > 12 35 H 0.09104676810984 0.69871408235774 0.33333333333333 1.008 > 12 36 H 0.09104676810984 0.69871408235774 0.66666666666667 1.008 > 12 *37 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 13 38 Cl 0.00000000000000 0.00000000000000 0.33333333333333 35.453 > 13 39 Cl 0.00000000000000 0.00000000000000 0.66666666666667 35.453 > 13 *40 Cl 0.33333333333333 0.66666666666667 0.16666666666667 35.453 > 14 41 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 > 14 42 Cl 0.33333333333333 0.66666666666667 0.83333333333333 35.453 > 14 *43 Sr 0.78419507081163 0.05072854672465 0.16666666666667 87.620 > 15 44 Sr 0.78419507081163 0.05072854672465 0.50000000000000 87.620 > 15 45 Sr 0.78419507081163 0.05072854672465 0.83333333333333 87.620 > 15 *46 Sr 0.36280877029408 0.92114972996440 0.00000000000000 87.620 > 16 47 Sr 0.36280877029408 0.92114972996440 0.33333333333333 87.620 > 16 48 Sr 0.36280877029408 0.92114972996440 0.66666666666667 87.620 > 16 49 Sr 0.07885027003560 0.44165904032968 0.00000000000000 87.620 > 17 50 Sr 0.07885027003560 0.44165904032968 0.33333333333333 87.620 > 17 51 Sr 0.07885027003560 0.44165904032968 0.66666666666667 87.620 > 17 52 Sr 0.55834095967032 0.63719122970592 0.00000000000000 87.620 > 18 53 Sr 0.55834095967032 0.63719122970592 0.33333333333333 87.620 > 18 54 Sr 0.55834095967032 0.63719122970592 0.66666666666667 87.620 > 18 *55 Sr 0.66666666666667 0.33333333333333 0.00000000000000 87.620 > 19 56 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 19 57 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 19 58 Sr 0.26653347591302 0.21580492918837 0.16666666666667 87.620 > 20 59 Sr 0.26653347591302 0.21580492918837 0.50000000000000 87.620 > 20 60 Sr 0.26653347591302 0.21580492918837 0.83333333333333 87.620 > 20 61 Sr 0.94927145327535 0.73346652408698 0.16666666666667 87.620 > 21 62 Sr 0.94927145327535 0.73346652408698 0.50000000000000 87.620 > 21 63 Sr 0.94927145327535 0.73346652408698 0.83333333333333 87.620 > 21 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1747546 0.0000015 0.0000000 -0.0000015 4.1747546 0.0000000 0.0000000 0.0000000 4.0252051 -------------------------- Born effective charges -------------------------- 1 H -0.9897773 -0.0274175 0.0000000 0.0033423 -0.9167279 0.0000000 0.0000000 0.0000000 -1.0310218 2 H -0.9454151 0.0222702 0.0000000 0.0530301 -0.9610901 0.0000000 0.0000000 0.0000000 -1.0310218 3 H -0.9245654 -0.0409925 0.0000000 -0.0102326 -0.9819398 0.0000000 0.0000000 0.0000000 -1.0310218 4 H -0.9595781 -0.0192228 0.0000000 -0.0292971 -0.9379899 0.0000000 0.0000000 0.0000000 -0.8975839 5 H -0.9643966 0.0265151 0.0000000 0.0164408 -0.9331713 0.0000000 0.0000000 0.0000000 -0.8975839 6 H -0.9223772 0.0078192 0.0000000 -0.0022552 -0.9751908 0.0000000 0.0000000 0.0000000 -0.8975839 7 H -0.9469303 -0.0502043 0.0000000 -0.0266192 -0.9471386 0.0000000 0.0000000 0.0000000 -0.8888732 8 H -0.9803521 0.0073231 0.0000000 0.0309083 -0.9137168 0.0000000 0.0000000 0.0000000 -0.8888732 9 H -0.9138210 0.0075035 0.0000000 0.0310887 -0.9802480 0.0000000 0.0000000 0.0000000 -0.8888732 10 H -0.9682525 0.0299096 0.0000000 -0.0016698 -1.0286423 0.0000000 0.0000000 0.0000000 -0.8904181 11 H -1.0257731 0.0348793 0.0000000 0.0032999 -0.9711217 0.0000000 0.0000000 0.0000000 -0.8904181 12 H -1.0013166 -0.0174198 0.0000000 -0.0489992 -0.9955782 0.0000000 0.0000000 0.0000000 -0.8904181 13 Cl -1.3161135 -0.0017023 0.0000000 0.0017023 -1.3161135 0.0000000 0.0000000 0.0000000 -1.4308544 14 Cl -1.2893464 0.0245764 0.0000000 -0.0245764 -1.2893464 0.0000000 0.0000000 0.0000000 -1.4213949 15 Sr 2.0194120 -0.0574112 0.0000000 -0.0540895 2.0827557 0.0000000 0.0000000 0.0000000 2.0534745 16 Sr 1.9773090 -0.0415170 0.0000000 0.0434220 2.1004669 0.0000000 0.0000000 0.0000000 1.9904524 17 Sr 2.0705023 0.0103832 0.0000000 0.0953222 2.0072735 0.0000000 0.0000000 0.0000000 1.9904524 18 Sr 2.0688525 -0.0962747 0.0000000 -0.0113357 2.0089233 0.0000000 0.0000000 0.0000000 1.9904524 19 Sr 1.8780999 0.1285537 0.0000000 -0.1285537 1.8780999 0.0000000 0.0000000 0.0000000 1.8441597 20 Sr 2.1152010 -0.0012143 0.0000000 0.0021074 1.9869667 0.0000000 0.0000000 0.0000000 2.0534745 21 Sr 2.0186385 0.0536430 0.0000000 0.0569647 2.0835291 0.0000000 0.0000000 0.0000000 2.0534745 ---------------------------------------------------------------------------- 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: 189/189 Permutation basis: 6111/6111 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 486 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 606 Use submatrix version of eigh solver. (1) Block: 500 / 606 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 606 / 606 (1) 89 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1018), data: False |-- (162, 153), data: True |-- (288, 288), data: True |-- (606, 577), data: False |-- (606, 17), data: (606, 46) @ (46, 17) |-- (106, 89), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), data: True ----- Solver_atoms: 1 -- 63 / 63 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.615 Solver_block: 200 / 480 - Time: 0.619 Solver_block: 300 / 480 - Time: 0.619 Solver_block: 400 / 480 - Time: 0.619 Solver_block: 480 / 480 - Time: 0.508 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.009 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 189/189 Permutation basis: 6111/6111 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 486 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 606 Use submatrix version of eigh solver. (1) Block: 500 / 606 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 606 / 606 (1) 89 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1018), data: False |-- (162, 153), data: True |-- (288, 288), data: True |-- (606, 577), data: False |-- (606, 17), data: (606, 46) @ (46, 17) |-- (106, 89), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:39:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:39:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-6 (174) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.791953460417886 0.000000000000000 0.000000000000000 b -4.895976730208943 8.480080449396830 0.000000000000000 c 0.000000000000000 0.000000000000000 3.879298130000000 Atomic positions (fractional): 1 H 0.88275157401807 0.44308511614766 0.50000000000000 1.008 2 H 0.55691488385234 0.43966645787041 0.50000000000000 1.008 3 H 0.56033354212958 0.11724842598193 0.50000000000000 1.008 4 H 0.22697417553619 0.94320392921468 0.50000000000000 1.008 5 H 0.05679607078532 0.28377024632151 0.50000000000000 1.008 6 H 0.71622975367849 0.77302582446381 0.50000000000000 1.008 7 H 0.78686940632474 0.61053685529598 0.00000000000000 1.008 8 H 0.38946314470402 0.17633255102876 0.00000000000000 1.008 9 H 0.82366744897124 0.21313059367526 0.00000000000000 1.008 10 H 0.60766731424791 0.90895323189016 0.00000000000000 1.008 11 H 0.30128591764226 0.39233268575209 0.00000000000000 1.008 12 H 0.09104676810984 0.69871408235774 0.00000000000000 1.008 13 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 14 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 15 Sr 0.78419507081163 0.05072854672465 0.50000000000000 87.620 16 Sr 0.36280877029408 0.92114972996440 0.00000000000000 87.620 17 Sr 0.07885027003560 0.44165904032968 0.00000000000000 87.620 18 Sr 0.55834095967032 0.63719122970592 0.00000000000000 87.620 19 Sr 0.66666666666667 0.33333333333333 0.00000000000000 87.620 20 Sr 0.26653347591302 0.21580492918837 0.50000000000000 87.620 21 Sr 0.94927145327535 0.73346652408698 0.50000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.791953460417886 0.000000000000000 0.000000000000000 b -4.895976730208943 8.480080449396830 0.000000000000000 c 0.000000000000000 0.000000000000000 11.637894390000000 Atomic positions (fractional): 1 H 0.88275157401807 0.44308511614766 0.16666666666667 1.008 > 1 2 H 0.88275157401807 0.44308511614766 0.50000000000000 1.008 > 1 3 H 0.88275157401807 0.44308511614766 0.83333333333333 1.008 > 1 4 H 0.55691488385234 0.43966645787041 0.16666666666667 1.008 > 4 5 H 0.55691488385234 0.43966645787041 0.50000000000000 1.008 > 4 6 H 0.55691488385234 0.43966645787041 0.83333333333333 1.008 > 4 7 H 0.56033354212958 0.11724842598193 0.16666666666667 1.008 > 7 8 H 0.56033354212958 0.11724842598193 0.50000000000000 1.008 > 7 9 H 0.56033354212958 0.11724842598193 0.83333333333333 1.008 > 7 10 H 0.22697417553619 0.94320392921468 0.16666666666667 1.008 > 10 11 H 0.22697417553619 0.94320392921468 0.50000000000000 1.008 > 10 12 H 0.22697417553619 0.94320392921468 0.83333333333333 1.008 > 10 13 H 0.05679607078532 0.28377024632151 0.16666666666667 1.008 > 13 14 H 0.05679607078532 0.28377024632151 0.50000000000000 1.008 > 13 15 H 0.05679607078532 0.28377024632151 0.83333333333333 1.008 > 13 16 H 0.71622975367849 0.77302582446381 0.16666666666667 1.008 > 16 17 H 0.71622975367849 0.77302582446381 0.50000000000000 1.008 > 16 18 H 0.71622975367849 0.77302582446381 0.83333333333333 1.008 > 16 19 H 0.78686940632474 0.61053685529598 0.00000000000000 1.008 > 19 20 H 0.78686940632474 0.61053685529598 0.33333333333333 1.008 > 19 21 H 0.78686940632474 0.61053685529598 0.66666666666667 1.008 > 19 22 H 0.38946314470402 0.17633255102876 0.00000000000000 1.008 > 22 23 H 0.38946314470402 0.17633255102876 0.33333333333333 1.008 > 22 24 H 0.38946314470402 0.17633255102876 0.66666666666667 1.008 > 22 25 H 0.82366744897124 0.21313059367526 0.00000000000000 1.008 > 25 26 H 0.82366744897124 0.21313059367526 0.33333333333333 1.008 > 25 27 H 0.82366744897124 0.21313059367526 0.66666666666667 1.008 > 25 28 H 0.60766731424791 0.90895323189016 0.00000000000000 1.008 > 28 29 H 0.60766731424791 0.90895323189016 0.33333333333333 1.008 > 28 30 H 0.60766731424791 0.90895323189016 0.66666666666667 1.008 > 28 31 H 0.30128591764226 0.39233268575209 0.00000000000000 1.008 > 31 32 H 0.30128591764226 0.39233268575209 0.33333333333333 1.008 > 31 33 H 0.30128591764226 0.39233268575209 0.66666666666667 1.008 > 31 34 H 0.09104676810984 0.69871408235774 0.00000000000000 1.008 > 34 35 H 0.09104676810984 0.69871408235774 0.33333333333333 1.008 > 34 36 H 0.09104676810984 0.69871408235774 0.66666666666667 1.008 > 34 37 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 37 38 Cl 0.00000000000000 0.00000000000000 0.33333333333333 35.453 > 37 39 Cl 0.00000000000000 0.00000000000000 0.66666666666667 35.453 > 37 40 Cl 0.33333333333333 0.66666666666667 0.16666666666667 35.453 > 40 41 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 > 40 42 Cl 0.33333333333333 0.66666666666667 0.83333333333333 35.453 > 40 43 Sr 0.78419507081163 0.05072854672465 0.16666666666667 87.620 > 43 44 Sr 0.78419507081163 0.05072854672465 0.50000000000000 87.620 > 43 45 Sr 0.78419507081163 0.05072854672465 0.83333333333333 87.620 > 43 46 Sr 0.36280877029408 0.92114972996440 0.00000000000000 87.620 > 46 47 Sr 0.36280877029408 0.92114972996440 0.33333333333333 87.620 > 46 48 Sr 0.36280877029408 0.92114972996440 0.66666666666667 87.620 > 46 49 Sr 0.07885027003560 0.44165904032968 0.00000000000000 87.620 > 49 50 Sr 0.07885027003560 0.44165904032968 0.33333333333333 87.620 > 49 51 Sr 0.07885027003560 0.44165904032968 0.66666666666667 87.620 > 49 52 Sr 0.55834095967032 0.63719122970592 0.00000000000000 87.620 > 52 53 Sr 0.55834095967032 0.63719122970592 0.33333333333333 87.620 > 52 54 Sr 0.55834095967032 0.63719122970592 0.66666666666667 87.620 > 52 55 Sr 0.66666666666667 0.33333333333333 0.00000000000000 87.620 > 55 56 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 55 57 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 55 58 Sr 0.26653347591302 0.21580492918837 0.16666666666667 87.620 > 58 59 Sr 0.26653347591302 0.21580492918837 0.50000000000000 87.620 > 58 60 Sr 0.26653347591302 0.21580492918837 0.83333333333333 87.620 > 58 61 Sr 0.94927145327535 0.73346652408698 0.16666666666667 87.620 > 61 62 Sr 0.94927145327535 0.73346652408698 0.50000000000000 87.620 > 61 63 Sr 0.94927145327535 0.73346652408698 0.83333333333333 87.620 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1747546 0.0000015 0.0000000 -0.0000015 4.1747546 0.0000000 0.0000000 0.0000000 4.0252051 -------------------------- Born effective charges -------------------------- 1 H -0.9897773 -0.0274175 0.0000000 0.0033423 -0.9167279 0.0000000 0.0000000 0.0000000 -1.0310218 2 H -0.9454151 0.0222702 0.0000000 0.0530301 -0.9610901 0.0000000 0.0000000 0.0000000 -1.0310218 3 H -0.9245654 -0.0409925 0.0000000 -0.0102326 -0.9819398 0.0000000 0.0000000 0.0000000 -1.0310218 4 H -0.9595781 -0.0192228 0.0000000 -0.0292971 -0.9379899 0.0000000 0.0000000 0.0000000 -0.8975839 5 H -0.9643966 0.0265151 0.0000000 0.0164408 -0.9331713 0.0000000 0.0000000 0.0000000 -0.8975839 6 H -0.9223772 0.0078192 0.0000000 -0.0022552 -0.9751908 0.0000000 0.0000000 0.0000000 -0.8975839 7 H -0.9469303 -0.0502043 0.0000000 -0.0266192 -0.9471386 0.0000000 0.0000000 0.0000000 -0.8888732 8 H -0.9803521 0.0073231 0.0000000 0.0309083 -0.9137168 0.0000000 0.0000000 0.0000000 -0.8888732 9 H -0.9138210 0.0075035 0.0000000 0.0310887 -0.9802480 0.0000000 0.0000000 0.0000000 -0.8888732 10 H -0.9682525 0.0299096 0.0000000 -0.0016698 -1.0286423 0.0000000 0.0000000 0.0000000 -0.8904181 11 H -1.0257731 0.0348793 0.0000000 0.0032999 -0.9711217 0.0000000 0.0000000 0.0000000 -0.8904181 12 H -1.0013166 -0.0174198 0.0000000 -0.0489992 -0.9955782 0.0000000 0.0000000 0.0000000 -0.8904181 13 Cl -1.3161135 -0.0017023 0.0000000 0.0017023 -1.3161135 0.0000000 0.0000000 0.0000000 -1.4308544 14 Cl -1.2893464 0.0245764 0.0000000 -0.0245764 -1.2893464 0.0000000 0.0000000 0.0000000 -1.4213949 15 Sr 2.0194120 -0.0574112 0.0000000 -0.0540895 2.0827557 0.0000000 0.0000000 0.0000000 2.0534745 16 Sr 1.9773090 -0.0415170 0.0000000 0.0434220 2.1004669 0.0000000 0.0000000 0.0000000 1.9904524 17 Sr 2.0705023 0.0103832 0.0000000 0.0953222 2.0072735 0.0000000 0.0000000 0.0000000 1.9904524 18 Sr 2.0688525 -0.0962747 0.0000000 -0.0113357 2.0089233 0.0000000 0.0000000 0.0000000 1.9904524 19 Sr 1.8780999 0.1285537 0.0000000 -0.1285537 1.8780999 0.0000000 0.0000000 0.0000000 1.8441597 20 Sr 2.1152010 -0.0012143 0.0000000 0.0021074 1.9869667 0.0000000 0.0000000 0.0000000 2.0534745 21 Sr 2.0186385 0.0536430 0.0000000 0.0569647 2.0835291 0.0000000 0.0000000 0.0000000 2.0534745 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 10, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 05:39:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:39:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-6 (174) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.791953460417886 0.000000000000000 0.000000000000000 b -4.895976730208943 8.480080449396830 0.000000000000000 c 0.000000000000000 0.000000000000000 3.879298130000000 Atomic positions (fractional): 1 H 0.88275157401807 0.44308511614766 0.50000000000000 1.008 2 H 0.55691488385234 0.43966645787041 0.50000000000000 1.008 3 H 0.56033354212958 0.11724842598193 0.50000000000000 1.008 4 H 0.22697417553619 0.94320392921468 0.50000000000000 1.008 5 H 0.05679607078532 0.28377024632151 0.50000000000000 1.008 6 H 0.71622975367849 0.77302582446381 0.50000000000000 1.008 7 H 0.78686940632474 0.61053685529598 0.00000000000000 1.008 8 H 0.38946314470402 0.17633255102876 0.00000000000000 1.008 9 H 0.82366744897124 0.21313059367526 0.00000000000000 1.008 10 H 0.60766731424791 0.90895323189016 0.00000000000000 1.008 11 H 0.30128591764226 0.39233268575209 0.00000000000000 1.008 12 H 0.09104676810984 0.69871408235774 0.00000000000000 1.008 13 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 14 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 15 Sr 0.78419507081163 0.05072854672465 0.50000000000000 87.620 16 Sr 0.36280877029408 0.92114972996440 0.00000000000000 87.620 17 Sr 0.07885027003560 0.44165904032968 0.00000000000000 87.620 18 Sr 0.55834095967032 0.63719122970592 0.00000000000000 87.620 19 Sr 0.66666666666667 0.33333333333333 0.00000000000000 87.620 20 Sr 0.26653347591302 0.21580492918837 0.50000000000000 87.620 21 Sr 0.94927145327535 0.73346652408698 0.50000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.791953460417886 0.000000000000000 0.000000000000000 b -4.895976730208943 8.480080449396830 0.000000000000000 c 0.000000000000000 0.000000000000000 11.637894390000000 Atomic positions (fractional): 1 H 0.88275157401807 0.44308511614766 0.16666666666667 1.008 > 1 2 H 0.88275157401807 0.44308511614766 0.50000000000000 1.008 > 1 3 H 0.88275157401807 0.44308511614766 0.83333333333333 1.008 > 1 4 H 0.55691488385234 0.43966645787041 0.16666666666667 1.008 > 4 5 H 0.55691488385234 0.43966645787041 0.50000000000000 1.008 > 4 6 H 0.55691488385234 0.43966645787041 0.83333333333333 1.008 > 4 7 H 0.56033354212958 0.11724842598193 0.16666666666667 1.008 > 7 8 H 0.56033354212958 0.11724842598193 0.50000000000000 1.008 > 7 9 H 0.56033354212958 0.11724842598193 0.83333333333333 1.008 > 7 10 H 0.22697417553619 0.94320392921468 0.16666666666667 1.008 > 10 11 H 0.22697417553619 0.94320392921468 0.50000000000000 1.008 > 10 12 H 0.22697417553619 0.94320392921468 0.83333333333333 1.008 > 10 13 H 0.05679607078532 0.28377024632151 0.16666666666667 1.008 > 13 14 H 0.05679607078532 0.28377024632151 0.50000000000000 1.008 > 13 15 H 0.05679607078532 0.28377024632151 0.83333333333333 1.008 > 13 16 H 0.71622975367849 0.77302582446381 0.16666666666667 1.008 > 16 17 H 0.71622975367849 0.77302582446381 0.50000000000000 1.008 > 16 18 H 0.71622975367849 0.77302582446381 0.83333333333333 1.008 > 16 19 H 0.78686940632474 0.61053685529598 0.00000000000000 1.008 > 19 20 H 0.78686940632474 0.61053685529598 0.33333333333333 1.008 > 19 21 H 0.78686940632474 0.61053685529598 0.66666666666667 1.008 > 19 22 H 0.38946314470402 0.17633255102876 0.00000000000000 1.008 > 22 23 H 0.38946314470402 0.17633255102876 0.33333333333333 1.008 > 22 24 H 0.38946314470402 0.17633255102876 0.66666666666667 1.008 > 22 25 H 0.82366744897124 0.21313059367526 0.00000000000000 1.008 > 25 26 H 0.82366744897124 0.21313059367526 0.33333333333333 1.008 > 25 27 H 0.82366744897124 0.21313059367526 0.66666666666667 1.008 > 25 28 H 0.60766731424791 0.90895323189016 0.00000000000000 1.008 > 28 29 H 0.60766731424791 0.90895323189016 0.33333333333333 1.008 > 28 30 H 0.60766731424791 0.90895323189016 0.66666666666667 1.008 > 28 31 H 0.30128591764226 0.39233268575209 0.00000000000000 1.008 > 31 32 H 0.30128591764226 0.39233268575209 0.33333333333333 1.008 > 31 33 H 0.30128591764226 0.39233268575209 0.66666666666667 1.008 > 31 34 H 0.09104676810984 0.69871408235774 0.00000000000000 1.008 > 34 35 H 0.09104676810984 0.69871408235774 0.33333333333333 1.008 > 34 36 H 0.09104676810984 0.69871408235774 0.66666666666667 1.008 > 34 37 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 37 38 Cl 0.00000000000000 0.00000000000000 0.33333333333333 35.453 > 37 39 Cl 0.00000000000000 0.00000000000000 0.66666666666667 35.453 > 37 40 Cl 0.33333333333333 0.66666666666667 0.16666666666667 35.453 > 40 41 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 > 40 42 Cl 0.33333333333333 0.66666666666667 0.83333333333333 35.453 > 40 43 Sr 0.78419507081163 0.05072854672465 0.16666666666667 87.620 > 43 44 Sr 0.78419507081163 0.05072854672465 0.50000000000000 87.620 > 43 45 Sr 0.78419507081163 0.05072854672465 0.83333333333333 87.620 > 43 46 Sr 0.36280877029408 0.92114972996440 0.00000000000000 87.620 > 46 47 Sr 0.36280877029408 0.92114972996440 0.33333333333333 87.620 > 46 48 Sr 0.36280877029408 0.92114972996440 0.66666666666667 87.620 > 46 49 Sr 0.07885027003560 0.44165904032968 0.00000000000000 87.620 > 49 50 Sr 0.07885027003560 0.44165904032968 0.33333333333333 87.620 > 49 51 Sr 0.07885027003560 0.44165904032968 0.66666666666667 87.620 > 49 52 Sr 0.55834095967032 0.63719122970592 0.00000000000000 87.620 > 52 53 Sr 0.55834095967032 0.63719122970592 0.33333333333333 87.620 > 52 54 Sr 0.55834095967032 0.63719122970592 0.66666666666667 87.620 > 52 55 Sr 0.66666666666667 0.33333333333333 0.00000000000000 87.620 > 55 56 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 55 57 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 55 58 Sr 0.26653347591302 0.21580492918837 0.16666666666667 87.620 > 58 59 Sr 0.26653347591302 0.21580492918837 0.50000000000000 87.620 > 58 60 Sr 0.26653347591302 0.21580492918837 0.83333333333333 87.620 > 58 61 Sr 0.94927145327535 0.73346652408698 0.16666666666667 87.620 > 61 62 Sr 0.94927145327535 0.73346652408698 0.50000000000000 87.620 > 61 63 Sr 0.94927145327535 0.73346652408698 0.83333333333333 87.620 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1747546 0.0000015 0.0000000 -0.0000015 4.1747546 0.0000000 0.0000000 0.0000000 4.0252051 -------------------------- Born effective charges -------------------------- 1 H -0.9897773 -0.0274175 0.0000000 0.0033423 -0.9167279 0.0000000 0.0000000 0.0000000 -1.0310218 2 H -0.9454151 0.0222702 0.0000000 0.0530301 -0.9610901 0.0000000 0.0000000 0.0000000 -1.0310218 3 H -0.9245654 -0.0409925 0.0000000 -0.0102326 -0.9819398 0.0000000 0.0000000 0.0000000 -1.0310218 4 H -0.9595781 -0.0192228 0.0000000 -0.0292971 -0.9379899 0.0000000 0.0000000 0.0000000 -0.8975839 5 H -0.9643966 0.0265151 0.0000000 0.0164408 -0.9331713 0.0000000 0.0000000 0.0000000 -0.8975839 6 H -0.9223772 0.0078192 0.0000000 -0.0022552 -0.9751908 0.0000000 0.0000000 0.0000000 -0.8975839 7 H -0.9469303 -0.0502043 0.0000000 -0.0266192 -0.9471386 0.0000000 0.0000000 0.0000000 -0.8888732 8 H -0.9803521 0.0073231 0.0000000 0.0309083 -0.9137168 0.0000000 0.0000000 0.0000000 -0.8888732 9 H -0.9138210 0.0075035 0.0000000 0.0310887 -0.9802480 0.0000000 0.0000000 0.0000000 -0.8888732 10 H -0.9682525 0.0299096 0.0000000 -0.0016698 -1.0286423 0.0000000 0.0000000 0.0000000 -0.8904181 11 H -1.0257731 0.0348793 0.0000000 0.0032999 -0.9711217 0.0000000 0.0000000 0.0000000 -0.8904181 12 H -1.0013166 -0.0174198 0.0000000 -0.0489992 -0.9955782 0.0000000 0.0000000 0.0000000 -0.8904181 13 Cl -1.3161135 -0.0017023 0.0000000 0.0017023 -1.3161135 0.0000000 0.0000000 0.0000000 -1.4308544 14 Cl -1.2893464 0.0245764 0.0000000 -0.0245764 -1.2893464 0.0000000 0.0000000 0.0000000 -1.4213949 15 Sr 2.0194120 -0.0574112 0.0000000 -0.0540895 2.0827557 0.0000000 0.0000000 0.0000000 2.0534745 16 Sr 1.9773090 -0.0415170 0.0000000 0.0434220 2.1004669 0.0000000 0.0000000 0.0000000 1.9904524 17 Sr 2.0705023 0.0103832 0.0000000 0.0953222 2.0072735 0.0000000 0.0000000 0.0000000 1.9904524 18 Sr 2.0688525 -0.0962747 0.0000000 -0.0113357 2.0089233 0.0000000 0.0000000 0.0000000 1.9904524 19 Sr 1.8780999 0.1285537 0.0000000 -0.1285537 1.8780999 0.0000000 0.0000000 0.0000000 1.8441597 20 Sr 2.1152010 -0.0012143 0.0000000 0.0021074 1.9869667 0.0000000 0.0000000 0.0000000 2.0534745 21 Sr 2.0186385 0.0536430 0.0000000 0.0569647 2.0835291 0.0000000 0.0000000 0.0000000 2.0534745 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 13 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 323, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 -0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 -0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 -0.000 0.000) 0.000 3.261 ( -0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.270 ( -0.000 -0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 -0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 17.790 ( 0.000 0.000 0.000) 0.000 17.790 ( 0.000 0.000 0.000) 0.000 18.600 ( 0.000 0.000 0.000) 0.000 18.941 ( 0.000 0.000 0.000) 0.000 18.941 ( 0.000 0.000 0.000) 0.000 19.794 ( -0.000 0.000 0.000) 0.000 21.212 ( 0.000 0.000 0.000) 0.000 21.212 ( 0.000 0.000 0.000) 0.000 21.693 ( 0.000 0.000 0.000) 0.000 22.854 ( 0.000 0.000 0.000) 0.000 22.854 ( 0.000 0.000 0.000) 0.000 23.035 ( 0.000 0.000 0.000) 0.000 23.280 ( 0.000 0.000 0.000) 0.000 24.434 ( 0.000 0.000 0.000) 0.000 24.434 ( 0.000 -0.000 0.000) 0.000 25.220 ( 0.000 0.000 0.000) 0.000 25.220 ( 0.000 0.000 0.000) 0.000 25.303 ( 0.000 0.000 0.000) 0.000 25.949 ( 0.000 0.000 0.000) 0.000 26.073 ( 0.000 0.000 0.000) 0.000 26.073 ( 0.000 0.000 0.000) 0.000 26.250 ( 0.000 0.000 0.000) 0.000 26.905 ( 0.000 0.000 0.000) 0.000 26.905 ( 0.000 0.000 0.000) 0.000 27.063 ( 0.000 0.000 0.000) 0.000 27.409 ( 0.000 0.000 0.000) 0.000 27.409 ( -0.000 0.000 0.000) 0.000 27.653 ( 0.000 0.000 0.000) 0.000 27.653 ( 0.000 0.000 0.000) 0.000 27.699 ( 0.000 0.000 0.000) 0.000 28.990 ( 0.000 0.000 0.000) 0.000 28.990 ( 0.000 0.000 0.000) 0.000 29.785 ( 0.000 -0.000 0.000) 0.000 31.074 ( 0.000 0.000 0.000) 0.000 31.074 ( 0.000 -0.000 0.000) 0.000 32.346 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 22.779 12.565 0.000) 26.014 0.575 ( 24.975 14.420 0.000) 28.839 0.903 ( 38.806 22.735 0.000) 44.975 2.263 ( -4.837 -2.799 0.000) 5.589 2.355 ( -15.325 -8.820 0.000) 17.682 2.535 ( -6.938 -3.914 0.000) 7.966 2.587 ( -3.151 -1.914 0.000) 3.687 2.629 ( -16.745 -8.064 0.000) 18.586 2.841 ( -0.286 -5.710 0.000) 5.717 3.055 ( 0.841 0.571 0.000) 1.016 3.095 ( 4.066 2.268 0.000) 4.656 3.099 ( -10.099 3.448 0.000) 10.671 3.305 ( 1.988 1.152 0.000) 2.298 3.383 ( 15.777 -2.740 0.000) 16.014 3.517 ( 9.835 12.276 0.000) 15.730 3.905 ( -15.408 -11.422 0.000) 19.180 4.025 ( -6.159 0.064 0.000) 6.159 4.337 ( 4.068 1.751 0.000) 4.429 4.376 ( -1.668 -1.844 0.000) 2.486 4.381 ( 0.037 0.021 0.000) 0.043 4.687 ( 3.981 1.632 0.000) 4.302 4.775 ( 3.225 3.660 0.000) 4.879 4.796 ( 0.065 0.037 0.000) 0.075 4.896 ( 0.000 -1.845 0.000) 1.845 4.973 ( 1.037 1.964 0.000) 2.221 5.196 ( 0.688 -0.693 0.000) 0.977 5.258 ( 1.806 1.758 0.000) 2.521 17.809 ( 1.518 0.875 0.000) 1.752 18.576 ( -1.758 -1.015 0.000) 2.030 18.759 ( -0.332 -0.187 0.000) 0.381 18.941 ( -0.004 -0.002 0.000) 0.005 18.965 ( 1.808 1.044 0.000) 2.087 19.821 ( 2.336 1.367 0.000) 2.706 21.119 ( -6.994 -4.135 0.000) 8.125 21.754 ( 4.266 2.451 0.000) 4.920 22.440 ( -2.297 -1.248 0.000) 2.614 22.854 ( -0.005 -0.003 0.000) 0.006 22.865 ( 0.938 0.542 0.000) 1.083 23.024 ( -0.873 -0.504 0.000) 1.008 23.275 ( -0.322 -0.200 0.000) 0.379 24.431 ( -0.195 -0.176 0.000) 0.263 25.109 ( -1.766 -1.447 0.000) 2.283 25.163 ( -4.305 -1.523 0.000) 4.567 25.331 ( 1.435 0.375 0.000) 1.483 25.867 ( -5.113 -2.963 0.000) 5.910 26.045 ( -1.991 -1.149 0.000) 2.299 26.073 ( -0.041 -0.024 0.000) 0.047 26.276 ( 1.868 1.079 0.000) 2.158 26.443 ( 6.498 3.655 0.000) 7.456 26.911 ( 1.707 -0.066 0.000) 1.709 26.996 ( 1.166 2.248 0.000) 2.533 27.069 ( 0.518 0.299 0.000) 0.599 27.402 ( -0.593 -0.342 0.000) 0.685 27.411 ( 0.121 0.069 0.000) 0.139 27.619 ( -0.778 -1.141 0.000) 1.381 27.777 ( 3.829 2.299 0.000) 4.466 28.768 ( -4.845 -2.541 0.000) 5.471 29.032 ( 3.955 2.194 0.000) 4.522 29.621 ( -4.964 -2.907 0.000) 5.753 29.852 ( 2.482 1.563 0.000) 2.933 31.136 ( 5.234 2.902 0.000) 5.985 32.163 ( -7.369 -4.170 0.000) 8.467 32.438 ( 4.241 2.414 0.000) 4.880 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 22.677 11.136 0.000) 25.264 1.125 ( 23.359 13.487 0.000) 26.973 1.714 ( 25.839 17.050 0.000) 30.957 2.040 ( -14.807 -8.572 0.000) 17.110 2.049 ( -9.544 -3.726 0.000) 10.245 2.298 ( -7.551 -7.672 0.000) 10.765 2.413 ( -3.147 -1.613 0.000) 3.537 2.520 ( -2.220 -1.498 0.000) 2.679 2.760 ( -2.439 -5.379 0.000) 5.906 2.899 ( -13.057 1.364 0.000) 13.128 3.073 ( 0.522 0.445 0.000) 0.685 3.191 ( 3.890 2.106 0.000) 4.424 3.339 ( 0.732 0.453 0.000) 0.861 3.386 ( -22.828 -16.613 0.000) 28.233 3.615 ( 14.377 -7.040 0.000) 16.008 3.769 ( 0.183 12.512 0.000) 12.513 3.975 ( -3.095 5.371 0.000) 6.199 4.362 ( 1.769 -2.018 0.000) 2.684 4.382 ( 0.042 0.025 0.000) 0.049 4.431 ( 5.363 -0.240 0.000) 5.368 4.671 ( -1.870 -0.952 0.000) 2.099 4.798 ( 0.067 0.039 0.000) 0.078 4.850 ( -1.457 -1.318 0.000) 1.965 4.931 ( 3.614 4.679 0.000) 5.912 5.013 ( 2.315 1.589 0.000) 2.807 5.184 ( -1.034 -2.002 0.000) 2.254 5.313 ( 2.176 1.674 0.000) 2.745 17.848 ( 1.630 0.938 0.000) 1.880 18.536 ( -1.449 -0.837 0.000) 1.673 18.751 ( -0.326 -0.175 0.000) 0.371 18.941 ( -0.004 -0.002 0.000) 0.005 19.006 ( 1.498 0.864 0.000) 1.729 19.889 ( 3.077 1.854 0.000) 3.593 20.948 ( -6.733 -4.183 0.000) 7.926 21.844 ( 3.202 1.764 0.000) 3.656 22.382 ( -2.467 -1.166 0.000) 2.728 22.854 ( 0.000 -0.000 0.000) 0.000 22.893 ( 1.330 0.769 0.000) 1.537 22.998 ( -1.266 -0.731 0.000) 1.462 23.271 ( 0.029 -0.025 0.000) 0.038 24.428 ( 0.095 -0.162 0.000) 0.187 25.047 ( -3.415 -2.254 0.000) 4.092 25.084 ( -2.651 -0.266 0.000) 2.664 25.339 ( -0.095 -0.741 0.000) 0.747 25.778 ( -2.321 -1.457 0.000) 2.741 26.002 ( -1.525 -0.879 0.000) 1.760 26.072 ( -0.044 -0.028 0.000) 0.052 26.316 ( 1.409 0.814 0.000) 1.627 26.552 ( 2.990 1.133 0.000) 3.197 26.978 ( 3.315 2.278 0.000) 4.022 27.059 ( 3.027 3.398 0.000) 4.551 27.083 ( 0.564 0.325 0.000) 0.651 27.387 ( -0.648 -0.373 0.000) 0.747 27.414 ( 0.121 0.070 0.000) 0.140 27.619 ( 2.302 -0.893 0.000) 2.469 27.809 ( -1.763 -0.767 0.000) 1.922 28.646 ( -5.093 -2.290 0.000) 5.585 29.154 ( 5.916 3.447 0.000) 6.846 29.524 ( -3.413 -2.190 0.000) 4.055 29.880 ( 0.063 0.410 0.000) 0.415 31.283 ( 7.050 3.648 0.000) 7.937 31.989 ( -7.502 -4.059 0.000) 8.530 32.515 ( 2.453 1.370 0.000) 2.810 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.665 ( -0.000 -0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 -0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.535 ( -0.000 -0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 -0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.714 ( -0.000 0.000 0.000) 0.000 3.820 ( 0.000 -0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 -0.000 0.000) 0.000 5.093 ( -0.000 -0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 17.869 ( 0.000 0.000 0.000) 0.000 18.519 ( 0.000 0.000 0.000) 0.000 18.747 ( 0.000 0.000 0.000) 0.000 18.941 ( 0.000 0.000 0.000) 0.000 19.024 ( 0.000 0.000 0.000) 0.000 19.931 ( 0.000 0.000 0.000) 0.000 20.860 ( 0.000 0.000 0.000) 0.000 21.882 ( 0.000 0.000 0.000) 0.000 22.352 ( 0.000 0.000 0.000) 0.000 22.854 ( 0.000 0.000 0.000) 0.000 22.913 ( 0.000 -0.000 0.000) 0.000 22.979 ( 0.000 0.000 0.000) 0.000 23.272 ( 0.000 0.000 0.000) 0.000 24.429 ( 0.000 0.000 0.000) 0.000 24.997 ( 0.000 -0.000 0.000) 0.000 25.062 ( 0.000 0.000 0.000) 0.000 25.331 ( 0.000 0.000 0.000) 0.000 25.753 ( 0.000 0.000 0.000) 0.000 25.984 ( 0.000 0.000 0.000) 0.000 26.071 ( 0.000 0.000 0.000) 0.000 26.333 ( 0.000 0.000 0.000) 0.000 26.580 ( 0.000 0.000 0.000) 0.000 27.018 ( 0.000 0.000 0.000) 0.000 27.090 ( 0.000 0.000 0.000) 0.000 27.121 ( 0.000 0.000 0.000) 0.000 27.378 ( 0.000 0.000 0.000) 0.000 27.415 ( 0.000 0.000 0.000) 0.000 27.669 ( 0.000 0.000 0.000) 0.000 27.744 ( -0.000 0.000 0.000) 0.000 28.587 ( 0.000 0.000 0.000) 0.000 29.239 ( 0.000 0.000 0.000) 0.000 29.475 ( 0.000 0.000 0.000) 0.000 29.879 ( 0.000 0.000 0.000) 0.000 31.381 ( 0.000 0.000 0.000) 0.000 31.886 ( 0.000 0.000 0.000) 0.000 32.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/56) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 11.226 22.008 0.000) 24.706 0.982 ( 13.809 23.918 0.000) 27.618 1.525 ( 20.554 33.828 0.000) 39.583 2.112 ( -5.481 -12.407 0.000) 13.563 2.162 ( -4.601 -7.893 0.000) 9.136 2.356 ( -6.535 -11.532 0.000) 13.255 2.383 ( -11.067 -15.617 0.000) 19.141 2.572 ( -0.302 -0.330 0.000) 0.447 2.717 ( -3.610 -2.610 0.000) 4.455 3.086 ( 1.238 1.782 0.000) 2.170 3.154 ( 1.886 3.612 0.000) 4.074 3.154 ( 15.307 -11.200 0.000) 18.967 3.291 ( -18.914 5.165 0.000) 19.606 3.333 ( 0.711 1.192 0.000) 1.388 3.668 ( -17.662 -10.037 0.000) 20.315 3.785 ( 4.155 -12.117 0.000) 12.809 3.876 ( 11.086 7.825 0.000) 13.570 4.365 ( 1.267 4.234 0.000) 4.420 4.382 ( 0.027 0.047 0.000) 0.055 4.453 ( 0.286 6.272 0.000) 6.279 4.713 ( -1.391 -0.256 0.000) 1.414 4.797 ( 0.045 0.078 0.000) 0.090 4.832 ( 4.486 1.989 0.000) 4.907 4.887 ( -2.824 -3.259 0.000) 4.313 4.985 ( 2.690 3.334 0.000) 4.284 5.224 ( -0.635 2.295 0.000) 2.382 5.280 ( 1.546 0.481 0.000) 1.619 17.854 ( 1.901 3.296 0.000) 3.805 18.546 ( -1.008 -1.746 0.000) 2.016 18.745 ( -0.648 -1.143 0.000) 1.314 18.941 ( 0.008 0.013 0.000) 0.015 18.996 ( 1.030 1.785 0.000) 2.061 19.871 ( 2.057 3.449 0.000) 4.016 20.994 ( -4.621 -7.527 0.000) 8.832 21.820 ( 2.049 3.666 0.000) 4.199 22.381 ( -2.175 -4.174 0.000) 4.706 22.853 ( -0.046 -0.079 0.000) 0.091 22.886 ( 0.842 1.458 0.000) 1.684 23.006 ( -0.753 -1.303 0.000) 1.505 23.276 ( 0.181 0.377 0.000) 0.418 24.442 ( 0.588 1.380 0.000) 1.500 24.987 ( -4.316 -7.846 0.000) 8.955 25.167 ( 0.616 -0.423 0.000) 0.748 25.339 ( -0.751 0.080 0.000) 0.755 25.792 ( -2.011 -3.318 0.000) 3.880 26.011 ( -1.119 -1.940 0.000) 2.240 26.073 ( 0.025 0.046 0.000) 0.052 26.307 ( 0.987 1.709 0.000) 1.973 26.536 ( 1.859 4.081 0.000) 4.485 26.912 ( 1.673 2.538 0.000) 3.040 27.079 ( 0.366 0.635 0.000) 0.733 27.103 ( 5.283 6.228 0.000) 8.167 27.390 ( -0.428 -0.742 0.000) 0.857 27.413 ( 0.087 0.151 0.000) 0.175 27.605 ( -1.874 0.280 0.000) 1.895 27.814 ( 0.212 0.179 0.000) 0.278 28.621 ( -4.966 -9.653 0.000) 10.855 29.164 ( 5.270 9.118 0.000) 10.532 29.557 ( -1.928 -3.015 0.000) 3.579 29.868 ( 0.150 -0.372 0.000) 0.401 31.240 ( 3.803 7.225 0.000) 8.165 32.042 ( -4.155 -7.605 0.000) 8.666 32.491 ( 1.440 2.587 0.000) 2.961 ======================= Grid point 9 (6/56) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 14.335 16.154 0.000) 21.598 1.455 ( 16.154 18.690 0.000) 24.703 1.802 ( -11.679 -8.016 0.000) 14.165 1.893 ( -18.615 -5.578 0.000) 19.433 1.978 ( 0.887 -11.967 0.000) 12.000 2.206 ( 5.101 -15.274 0.000) 16.103 2.389 ( 19.283 24.162 0.000) 30.913 2.566 ( -1.641 2.481 0.000) 2.975 2.734 ( 0.704 5.061 0.000) 5.110 2.980 ( -18.342 3.021 0.000) 18.590 3.111 ( -0.997 2.883 0.000) 3.051 3.124 ( -21.845 -7.788 0.000) 23.192 3.219 ( 2.422 0.704 0.000) 2.522 3.341 ( 11.796 -15.064 0.000) 19.133 3.342 ( -0.066 -0.281 0.000) 0.289 3.691 ( 9.526 -25.390 0.000) 27.119 4.138 ( -2.921 17.904 0.000) 18.141 4.383 ( 0.015 0.026 0.000) 0.030 4.435 ( 3.089 2.307 0.000) 3.855 4.536 ( -0.563 11.105 0.000) 11.119 4.669 ( -3.126 0.659 0.000) 3.195 4.765 ( -0.846 -7.786 0.000) 7.832 4.799 ( 0.022 0.043 0.000) 0.048 4.904 ( 2.890 -5.257 0.000) 5.999 5.102 ( 4.309 6.277 0.000) 7.613 5.195 ( -5.348 1.857 0.000) 5.661 5.308 ( 2.425 -2.368 0.000) 3.390 17.912 ( -0.492 4.727 0.000) 4.753 18.519 ( -0.447 -0.779 0.000) 0.898 18.724 ( 0.466 -2.248 0.000) 2.296 18.941 ( -0.014 0.039 0.000) 0.041 19.024 ( 0.476 0.764 0.000) 0.901 19.937 ( 1.147 2.657 0.000) 2.894 20.863 ( -2.596 -3.935 0.000) 4.714 21.875 ( 1.191 1.240 0.000) 1.720 22.312 ( 0.127 -4.822 0.000) 4.824 22.852 ( 0.053 -0.175 0.000) 0.183 22.916 ( 0.647 1.530 0.000) 1.662 22.978 ( -0.679 -1.310 0.000) 1.476 23.285 ( -0.229 1.200 0.000) 1.222 24.473 ( -1.025 4.908 0.000) 5.014 24.857 ( 1.299 -11.302 0.000) 11.376 25.160 ( -2.343 2.806 0.000) 3.655 25.322 ( -0.072 -0.881 0.000) 0.884 25.753 ( -0.446 -0.760 0.000) 0.882 25.981 ( -0.406 -1.001 0.000) 1.080 26.074 ( -0.082 0.191 0.000) 0.207 26.333 ( 0.436 0.720 0.000) 0.842 26.572 ( 0.539 0.606 0.000) 0.811 26.994 ( 2.458 1.580 0.000) 2.922 27.090 ( 0.198 0.338 0.000) 0.392 27.240 ( -1.513 11.566 0.000) 11.665 27.378 ( -0.219 -0.421 0.000) 0.475 27.416 ( 0.032 0.097 0.000) 0.102 27.596 ( 3.276 -1.270 0.000) 3.514 27.764 ( -2.838 -4.391 0.000) 5.228 28.482 ( 1.188 -10.232 0.000) 10.301 29.333 ( 1.120 11.176 0.000) 11.232 29.498 ( -2.895 -0.354 0.000) 2.917 29.852 ( 0.596 -3.166 0.000) 3.222 31.375 ( 3.220 5.188 0.000) 6.106 31.902 ( -3.654 -4.525 0.000) 5.816 32.528 ( 1.161 0.173 0.000) 1.174 ======================= Grid point 10 (7/56) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -22.685 -6.801 0.000) 23.683 1.455 ( -24.259 -4.642 0.000) 24.699 1.701 ( 12.975 7.315 0.000) 14.895 1.893 ( 14.154 13.348 0.000) 19.455 2.052 ( 12.114 -6.254 0.000) 13.633 2.205 ( 10.612 -12.047 0.000) 16.054 2.386 ( -30.679 -4.581 0.000) 31.019 2.566 ( -1.258 2.628 0.000) 2.913 2.712 ( -2.415 3.637 0.000) 4.366 2.930 ( 1.200 14.411 0.000) 14.460 3.110 ( -2.103 2.298 0.000) 3.115 3.178 ( 19.723 15.203 0.000) 24.903 3.221 ( -1.720 -1.744 0.000) 2.449 3.342 ( 0.256 -0.070 0.000) 0.265 3.406 ( 11.946 -13.968 0.000) 18.380 3.638 ( 13.690 -23.507 0.000) 27.203 4.102 ( -16.861 12.472 0.000) 20.972 4.383 ( -0.030 -0.000 0.000) 0.030 4.453 ( -3.261 -0.873 0.000) 3.375 4.562 ( -6.616 3.836 0.000) 7.648 4.672 ( 1.615 4.195 0.000) 4.495 4.780 ( 7.757 -2.989 0.000) 8.313 4.799 ( -0.048 0.002 0.000) 0.048 4.872 ( 0.581 -5.221 0.000) 5.254 5.092 ( -7.096 0.078 0.000) 7.097 5.211 ( 1.278 5.075 0.000) 5.234 5.304 ( 0.572 -3.671 0.000) 3.715 17.912 ( -3.846 2.789 0.000) 4.751 18.519 ( 0.898 -0.002 0.000) 0.898 18.724 ( 1.705 -1.524 0.000) 2.287 18.941 ( -0.027 0.031 0.000) 0.041 19.024 ( -0.900 -0.030 0.000) 0.900 19.936 ( -2.930 0.358 0.000) 2.952 20.865 ( 4.912 0.207 0.000) 4.917 21.876 ( -1.608 -0.437 0.000) 1.666 22.310 ( 3.932 -2.456 0.000) 4.636 22.852 ( 0.126 -0.133 0.000) 0.183 22.916 ( -1.649 0.205 0.000) 1.662 22.978 ( 1.474 -0.067 0.000) 1.476 23.286 ( -0.898 0.787 0.000) 1.194 24.476 ( -3.607 3.330 0.000) 4.909 24.853 ( 8.914 -6.716 0.000) 11.161 25.156 ( -1.677 3.499 0.000) 3.880 25.328 ( 1.253 -0.472 0.000) 1.339 25.754 ( 0.969 -0.028 0.000) 0.970 25.981 ( 1.069 -0.148 0.000) 1.079 26.074 ( -0.123 0.166 0.000) 0.206 26.333 ( -0.842 -0.017 0.000) 0.842 26.577 ( -0.346 -0.342 0.000) 0.487 26.986 ( -3.250 -0.958 0.000) 3.388 27.090 ( -0.392 -0.003 0.000) 0.392 27.223 ( -9.820 6.832 0.000) 11.962 27.378 ( 0.474 -0.021 0.000) 0.474 27.416 ( -0.100 0.020 0.000) 0.102 27.635 ( -0.093 -4.237 0.000) 4.238 27.751 ( 5.942 0.974 0.000) 6.021 28.476 ( 7.823 -6.012 0.000) 9.866 29.330 ( -10.159 4.640 0.000) 11.169 29.503 ( 1.772 2.302 0.000) 2.905 29.849 ( 2.189 -2.040 0.000) 2.992 31.379 ( -5.816 -0.326 0.000) 5.826 31.899 ( 5.563 0.995 0.000) 5.652 32.529 ( -0.701 -0.927 0.000) 1.162 ======================= Grid point 15 (8/56) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 -0.000 0.000) 0.000 1.621 ( -0.000 0.000 0.000) 0.000 1.751 ( -0.000 -0.000 0.000) 0.000 1.760 ( -0.000 0.000 0.000) 0.000 1.867 ( -0.000 -0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 2.589 ( -0.000 -0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.802 ( -0.000 -0.000 0.000) 0.000 3.036 ( 0.000 -0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.145 ( -0.000 -0.000 0.000) 0.000 3.150 ( -0.000 0.000 0.000) 0.000 3.221 ( -0.000 -0.000 0.000) 0.000 3.223 ( -0.000 -0.000 0.000) 0.000 3.336 ( -0.000 -0.000 0.000) 0.000 4.383 ( -0.000 -0.000 0.000) 0.000 4.398 ( 0.000 -0.000 0.000) 0.000 4.464 ( -0.000 -0.000 0.000) 0.000 4.575 ( -0.000 0.000 0.000) 0.000 4.650 ( -0.000 -0.000 0.000) 0.000 4.750 ( -0.000 0.000 0.000) 0.000 4.799 ( -0.000 -0.000 0.000) 0.000 4.806 ( 0.000 -0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.226 ( -0.000 0.000 0.000) 0.000 5.231 ( 0.000 -0.000 0.000) 0.000 17.973 ( -0.000 -0.000 0.000) 0.000 18.511 ( -0.000 -0.000 0.000) 0.000 18.694 ( -0.000 -0.000 0.000) 0.000 18.942 ( -0.000 -0.000 0.000) 0.000 19.032 ( -0.000 -0.000 0.000) 0.000 19.969 ( -0.000 -0.000 0.000) 0.000 20.818 ( -0.000 -0.000 0.000) 0.000 21.888 ( -0.000 -0.000 0.000) 0.000 22.254 ( -0.000 -0.000 0.000) 0.000 22.850 ( -0.000 -0.000 0.000) 0.000 22.948 ( 0.000 0.000 0.000) 0.000 22.949 ( -0.000 -0.000 0.000) 0.000 23.300 ( -0.000 -0.000 0.000) 0.000 24.579 ( -0.000 -0.000 0.000) 0.000 24.685 ( 0.000 0.000 0.000) 0.000 25.188 ( -0.000 -0.000 0.000) 0.000 25.310 ( -0.000 -0.000 0.000) 0.000 25.746 ( 0.000 -0.000 0.000) 0.000 25.970 ( -0.000 -0.000 0.000) 0.000 26.076 ( -0.000 -0.000 0.000) 0.000 26.340 ( -0.000 -0.000 0.000) 0.000 26.576 ( -0.000 -0.000 0.000) 0.000 27.018 ( 0.000 -0.000 0.000) 0.000 27.093 ( -0.000 -0.000 0.000) 0.000 27.373 ( -0.000 -0.000 0.000) 0.000 27.417 ( -0.000 -0.000 0.000) 0.000 27.443 ( -0.000 -0.000 0.000) 0.000 27.527 ( -0.000 -0.000 0.000) 0.000 27.691 ( -0.000 -0.000 0.000) 0.000 28.370 ( 0.000 -0.000 0.000) 0.000 29.456 ( 0.000 0.000 0.000) 0.000 29.513 ( -0.000 -0.000 0.000) 0.000 29.800 ( 0.000 -0.000 0.000) 0.000 31.439 ( 0.000 0.000 0.000) 0.000 31.846 ( 0.000 -0.000 0.000) 0.000 32.529 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 43 (9/56) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 0.000 28.663) 28.663 0.571 ( 0.000 0.000 28.663) 28.663 0.969 ( 0.000 0.000 47.891) 47.891 2.402 ( -0.000 0.000 7.975) 7.975 2.664 ( 0.000 0.000 4.823) 4.823 2.694 ( 0.000 0.000 5.312) 5.312 2.694 ( 0.000 0.000 5.312) 5.312 2.853 ( 0.000 0.000 1.994) 1.994 2.853 ( 0.000 0.000 1.994) 1.994 3.147 ( 0.000 0.000 9.393) 9.393 3.147 ( -0.000 0.000 9.393) 9.393 3.160 ( 0.000 -0.000 0.118) 0.118 3.280 ( 0.000 0.000 1.972) 1.972 3.280 ( 0.000 0.000 1.972) 1.972 3.387 ( 0.000 -0.000 8.935) 8.935 4.116 ( 0.000 0.000 0.632) 0.632 4.116 ( 0.000 0.000 0.632) 0.632 4.276 ( 0.000 -0.000 0.634) 0.634 4.276 ( -0.000 0.000 0.634) 0.634 4.503 ( 0.000 0.000 4.387) 4.387 4.547 ( 0.000 0.000 -1.957) 1.957 4.734 ( 0.000 0.000 -0.728) 0.728 4.734 ( -0.000 0.000 -0.728) 0.728 4.876 ( 0.000 -0.000 -2.089) 2.089 5.111 ( 0.000 0.000 2.079) 2.079 5.155 ( 0.000 0.000 -3.711) 3.711 5.155 ( 0.000 0.000 -3.711) 3.711 17.772 ( 0.000 0.000 -1.721) 1.721 17.772 ( 0.000 0.000 -1.721) 1.721 18.972 ( -0.000 0.000 3.013) 3.013 18.972 ( 0.000 0.000 3.013) 3.013 19.803 ( 0.000 0.000 0.892) 0.892 20.872 ( 0.000 0.000 -13.247) 13.247 21.122 ( 0.000 0.000 -8.553) 8.553 21.122 ( 0.000 0.000 -8.553) 8.553 21.763 ( 0.000 0.000 5.263) 5.263 22.874 ( 0.000 0.000 1.511) 1.511 22.874 ( 0.000 0.000 1.511) 1.511 23.166 ( 0.000 0.000 -10.369) 10.369 24.261 ( 0.000 0.000 3.234) 3.234 24.465 ( 0.000 0.000 3.015) 3.015 24.465 ( 0.000 0.000 3.015) 3.015 25.125 ( 0.000 -0.000 -7.979) 7.979 25.125 ( 0.000 0.000 -7.979) 7.979 25.284 ( 0.000 0.000 -2.039) 2.039 25.899 ( 0.000 0.000 -4.050) 4.050 26.088 ( 0.000 0.000 -0.290) 0.290 26.088 ( 0.000 0.000 -0.290) 0.290 26.734 ( 0.000 -0.000 -13.493) 13.493 26.734 ( 0.000 0.000 -13.493) 13.493 27.128 ( 0.000 0.000 6.595) 6.595 27.367 ( 0.000 0.000 -0.627) 0.627 27.367 ( 0.000 0.000 -0.627) 0.627 27.652 ( 0.000 0.000 -4.789) 4.789 27.912 ( 0.000 0.000 19.012) 19.012 27.912 ( 0.000 0.000 19.012) 19.012 29.036 ( 0.000 0.000 4.528) 4.528 29.036 ( 0.000 0.000 4.528) 4.528 29.721 ( 0.000 0.000 -6.320) 6.320 29.961 ( 0.000 0.000 -2.266) 2.266 31.013 ( 0.000 0.000 -6.006) 6.006 31.013 ( -0.000 -0.000 -6.006) 6.006 32.218 ( 0.000 0.000 -12.415) 12.415 ======================= Grid point 44 (10/56) ======================= q-point: ( 0.17 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 15.359 9.318 19.094) 26.217 0.767 ( 15.676 8.473 20.034) 26.812 1.343 ( 26.388 15.310 35.009) 46.437 2.300 ( -9.691 -5.839 3.295) 11.784 2.451 ( -11.265 -5.423 9.307) 15.587 2.574 ( -8.824 -4.860 3.239) 10.582 2.638 ( -5.420 -5.218 5.350) 9.232 2.713 ( -8.998 -3.423 7.991) 12.511 2.869 ( -0.544 -3.890 3.434) 5.217 3.102 ( -8.513 1.618 1.310) 8.764 3.138 ( 0.679 0.420 6.959) 7.004 3.186 ( 3.421 2.735 7.913) 9.044 3.374 ( 8.657 -3.350 3.795) 10.028 3.426 ( 7.217 2.740 6.649) 10.188 3.522 ( 9.780 11.046 1.124) 14.796 3.930 ( -13.772 -10.383 2.780) 17.470 4.037 ( -5.401 0.345 1.566) 5.634 4.329 ( 2.720 1.371 -0.512) 3.089 4.341 ( 2.618 0.428 -0.645) 2.730 4.464 ( -1.965 -1.192 4.728) 5.256 4.593 ( 5.318 2.756 -3.878) 7.135 4.752 ( -0.142 1.403 -1.273) 1.900 4.803 ( 3.741 0.859 -1.588) 4.154 4.888 ( 0.948 0.829 -2.177) 2.515 5.038 ( -3.665 -1.830 4.615) 6.171 5.157 ( 0.340 -0.386 -3.767) 3.802 5.199 ( 2.835 1.974 -4.639) 5.784 17.788 ( 1.354 0.784 -1.895) 2.457 18.034 ( 15.721 9.073 -14.595) 23.291 18.951 ( -2.291 -1.307 4.120) 4.892 18.978 ( 0.453 0.247 3.433) 3.472 19.759 ( -31.939 -18.491 29.419) 47.197 19.844 ( -2.773 -1.526 6.426) 7.163 21.051 ( -5.687 -3.345 -6.862) 9.519 21.650 ( 7.158 4.118 -19.772) 21.428 21.837 ( 5.309 3.103 -19.159) 20.122 22.887 ( 1.121 0.690 2.253) 2.609 22.900 ( 1.649 0.914 1.332) 2.308 23.165 ( -0.122 -0.071 -6.544) 6.545 23.646 ( -15.406 -8.892 29.642) 34.570 24.453 ( -0.902 -0.576 2.177) 2.425 24.944 ( 4.052 2.544 -15.209) 15.944 25.067 ( -4.343 -2.454 -7.986) 9.416 25.269 ( 8.686 4.095 -21.661) 23.694 25.312 ( 2.173 1.967 -4.340) 5.237 25.972 ( 3.734 2.103 -7.295) 8.460 26.097 ( 0.602 0.512 0.351) 0.865 26.165 ( 6.336 3.552 3.523) 8.073 26.691 ( -2.745 -1.427 -14.433) 14.761 26.748 ( 1.438 0.561 -12.719) 12.812 27.111 ( -6.068 -3.431 4.078) 8.077 27.174 ( -5.264 -2.826 14.301) 15.499 27.361 ( -0.238 -0.169 -0.593) 0.661 27.686 ( -3.785 -2.331 10.081) 11.018 27.752 ( 1.164 0.652 13.735) 13.800 27.914 ( 0.349 0.143 17.189) 17.194 28.878 ( -7.577 -4.349 8.666) 12.305 29.073 ( 3.776 2.255 3.883) 5.867 29.654 ( -4.503 -2.665 -0.299) 5.241 29.842 ( -1.145 -0.563 0.514) 1.376 31.072 ( 4.883 2.707 -6.345) 8.452 31.678 ( 20.227 11.757 -33.580) 40.927 32.227 ( 1.873 1.066 -14.136) 14.300 ======================= Grid point 45 (11/56) ======================= q-point: ( 0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 18.789 9.865 11.911) 24.335 1.209 ( 21.527 12.358 8.782) 26.329 1.941 ( 9.500 7.969 18.607) 22.360 2.076 ( 2.382 0.205 6.957) 7.357 2.152 ( -15.648 -7.339 8.197) 19.128 2.334 ( -6.843 -7.202 3.985) 10.704 2.512 ( -2.076 -1.320 9.188) 9.512 2.619 ( -2.361 -1.182 9.111) 9.486 2.803 ( -1.604 -4.312 4.358) 6.337 2.910 ( -12.296 1.013 1.522) 12.431 3.154 ( 0.374 0.262 7.394) 7.408 3.273 ( 1.083 -0.275 7.317) 7.402 3.394 ( -4.992 -4.434 6.467) 9.295 3.502 ( -11.556 -7.906 10.369) 17.423 3.623 ( 12.752 -5.681 1.242) 14.016 3.768 ( 0.646 11.354 0.015) 11.372 3.992 ( -2.872 4.684 1.941) 5.827 4.357 ( 2.130 -1.094 0.114) 2.397 4.417 ( 4.643 -0.116 -1.267) 4.814 4.443 ( -0.169 -0.592 5.005) 5.043 4.632 ( -0.902 -0.701 -3.008) 3.217 4.771 ( 0.672 0.832 -3.068) 3.249 4.872 ( -0.785 -1.033 0.567) 1.416 4.905 ( 3.101 3.597 -2.172) 5.222 4.997 ( 0.034 0.178 -0.355) 0.398 5.143 ( -1.520 -1.129 -3.815) 4.259 5.271 ( 2.878 1.515 -3.901) 5.079 17.823 ( 1.424 0.828 -2.299) 2.828 18.334 ( 10.479 6.022 -14.395) 18.796 18.843 ( -7.110 -4.044 9.364) 12.434 18.989 ( 0.495 0.238 4.420) 4.454 19.291 ( -8.856 -5.100 19.214) 21.762 19.904 ( 3.174 1.903 1.549) 4.012 20.903 ( -6.114 -3.732 -4.684) 8.559 21.713 ( 0.896 0.437 -12.583) 12.622 21.902 ( 0.697 0.539 -31.194) 31.206 22.920 ( 1.366 0.956 2.810) 3.267 22.932 ( 1.238 0.576 2.665) 2.995 23.160 ( -0.266 -0.159 -0.391) 0.499 23.460 ( -3.670 -2.116 23.727) 24.103 24.430 ( -0.836 -0.658 0.085) 1.067 24.953 ( -3.452 3.145 -9.633) 10.706 24.963 ( -1.660 -5.575 -8.585) 10.370 25.307 ( 0.032 -0.852 -4.072) 4.160 25.407 ( 2.530 1.973 -22.175) 22.406 26.029 ( 2.071 0.616 -2.845) 3.572 26.108 ( -0.416 0.773 1.681) 1.896 26.250 ( 0.397 -0.261 0.845) 0.970 26.697 ( 3.573 2.221 -14.313) 14.918 26.792 ( 2.848 0.367 -11.432) 11.787 26.948 ( -6.152 -1.746 5.542) 8.462 27.173 ( 0.701 0.625 10.064) 10.108 27.365 ( 0.683 0.093 -0.741) 1.012 27.643 ( 0.920 -0.536 9.263) 9.324 27.777 ( -0.889 0.103 13.020) 13.050 27.922 ( 0.156 -0.357 13.772) 13.777 28.727 ( -5.444 -2.923 7.555) 9.760 29.202 ( 6.444 4.107 3.936) 8.596 29.565 ( -3.242 -2.294 3.231) 5.119 29.825 ( -1.064 -0.249 -4.216) 4.356 31.205 ( 6.149 3.157 -7.698) 10.346 31.818 ( -1.872 -0.779 -16.000) 16.128 32.307 ( 3.634 2.030 -18.499) 18.961 ======================= Grid point 46 (12/56) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 0.000 5.431) 5.431 1.625 ( 0.000 0.000 5.286) 5.286 1.746 ( 0.000 0.000 8.843) 8.843 1.780 ( -0.000 -0.000 10.739) 10.739 2.190 ( 0.000 0.000 6.060) 6.060 2.433 ( 0.000 -0.000 5.926) 5.926 2.589 ( 0.000 0.000 9.234) 9.234 2.674 ( -0.000 -0.000 9.929) 9.929 2.683 ( 0.000 0.000 12.757) 12.757 2.811 ( 0.000 0.000 2.316) 2.316 2.984 ( 0.000 0.000 4.802) 4.802 3.165 ( 0.000 0.000 7.928) 7.928 3.363 ( 0.000 -0.000 11.303) 11.303 3.444 ( 0.000 0.000 9.492) 9.492 3.716 ( 0.000 0.000 0.404) 0.404 3.821 ( 0.000 -0.000 0.228) 0.228 4.001 ( 0.000 0.000 1.618) 1.618 4.372 ( 0.000 0.000 0.800) 0.800 4.438 ( 0.000 0.000 4.745) 4.745 4.464 ( 0.000 0.000 -1.960) 1.960 4.618 ( 0.000 0.000 -2.699) 2.699 4.775 ( 0.000 0.000 -3.422) 3.422 4.857 ( 0.000 0.000 3.168) 3.168 4.937 ( 0.000 0.000 -2.750) 2.750 5.042 ( 0.000 0.000 -4.306) 4.306 5.098 ( 0.000 0.000 -2.927) 2.927 5.306 ( 0.000 0.000 -3.611) 3.611 17.841 ( 0.000 0.000 -2.532) 2.532 18.482 ( 0.000 0.000 -14.346) 14.346 18.721 ( 0.000 0.000 13.243) 13.243 18.995 ( 0.000 0.000 4.990) 4.990 19.212 ( 0.000 0.000 11.936) 11.936 19.948 ( 0.000 0.000 1.658) 1.658 20.823 ( 0.000 0.000 -3.930) 3.930 21.721 ( 0.000 0.000 -13.879) 13.879 21.906 ( 0.000 0.000 -31.541) 31.541 22.937 ( 0.000 -0.000 0.669) 0.669 22.949 ( 0.000 0.000 5.893) 5.893 23.156 ( 0.000 0.000 2.233) 2.233 23.424 ( 0.000 0.000 21.015) 21.015 24.419 ( 0.000 0.000 -1.271) 1.271 24.908 ( 0.000 -0.000 -7.289) 7.289 24.945 ( 0.000 0.000 -9.792) 9.792 25.300 ( 0.000 0.000 -3.371) 3.371 25.437 ( 0.000 0.000 -21.443) 21.443 26.056 ( 0.000 0.000 3.837) 3.837 26.101 ( 0.000 0.000 -0.052) 0.052 26.240 ( 0.000 0.000 -4.028) 4.028 26.771 ( 0.000 0.000 -14.625) 14.625 26.839 ( -0.000 0.000 -13.970) 13.970 26.855 ( 0.000 0.000 6.800) 6.800 27.183 ( 0.000 0.000 10.302) 10.302 27.375 ( 0.000 0.000 -0.975) 0.975 27.667 ( 0.000 0.000 0.519) 0.519 27.751 ( 0.000 0.000 20.229) 20.229 27.917 ( 0.000 0.000 14.589) 14.589 28.662 ( 0.000 0.000 7.195) 7.195 29.302 ( 0.000 0.000 4.701) 4.701 29.512 ( 0.000 0.000 3.690) 3.690 29.811 ( 0.000 0.000 -5.656) 5.656 31.287 ( 0.000 0.000 -9.142) 9.142 31.775 ( 0.000 0.000 -10.565) 10.565 32.350 ( 0.000 0.000 -18.383) 18.383 ======================= Grid point 51 (13/56) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 9.813 17.769 13.652) 24.462 1.086 ( 12.019 21.291 10.945) 26.788 1.808 ( 15.736 26.182 25.181) 39.588 2.117 ( -5.196 -9.383 2.411) 10.994 2.281 ( -3.109 -11.362 9.045) 14.852 2.388 ( -11.075 -10.829 4.578) 16.151 2.486 ( -7.578 -13.552 8.870) 17.882 2.644 ( 0.225 0.802 6.223) 6.279 2.759 ( -2.928 -3.624 4.852) 6.727 3.133 ( 8.568 -5.977 2.111) 10.658 3.183 ( 3.781 -1.345 5.634) 6.918 3.239 ( -1.075 4.456 6.421) 7.890 3.314 ( -11.604 3.525 4.130) 12.811 3.442 ( 0.396 0.875 9.537) 9.586 3.719 ( -14.739 -8.260 5.351) 17.722 3.804 ( 5.032 -4.378 1.626) 6.865 3.880 ( 8.509 0.741 1.078) 8.609 4.358 ( 1.317 3.943 -0.540) 4.192 4.410 ( 0.270 3.042 0.875) 3.177 4.471 ( 0.057 2.646 3.139) 4.106 4.654 ( -0.172 1.948 -4.321) 4.742 4.765 ( 2.333 -0.447 -2.609) 3.528 4.829 ( -1.051 0.293 -1.764) 2.074 4.902 ( 1.055 0.174 -0.298) 1.110 4.990 ( -0.167 -0.679 1.865) 1.992 5.184 ( 0.479 1.387 -4.027) 4.286 5.232 ( 0.973 1.677 -4.103) 4.538 17.828 ( 1.656 2.857 -2.384) 4.073 18.257 ( 6.457 11.219 -15.306) 20.046 18.881 ( -3.517 -6.179 7.552) 10.372 18.988 ( 0.401 0.767 4.315) 4.401 19.359 ( -8.216 -14.243 23.898) 29.008 19.886 ( 2.092 3.510 1.536) 4.365 20.944 ( -4.090 -6.764 -5.213) 9.469 21.704 ( 0.722 1.380 -12.431) 12.528 21.887 ( 0.540 0.708 -30.024) 30.038 22.911 ( 1.031 1.565 2.636) 3.235 22.927 ( 0.846 1.645 2.554) 3.153 23.161 ( -0.184 -0.312 -1.924) 1.958 23.486 ( -3.227 -5.596 25.019) 25.839 24.449 ( 0.025 0.349 0.589) 0.685 24.887 ( -3.199 -6.448 -8.478) 11.121 25.047 ( -0.326 -0.631 -10.368) 10.393 25.309 ( -0.862 0.536 -4.004) 4.131 25.383 ( 2.677 3.294 -22.878) 23.268 26.016 ( 0.822 2.091 -4.582) 5.103 26.109 ( 0.912 0.312 1.474) 1.761 26.244 ( 0.775 1.991 2.348) 3.174 26.683 ( 1.473 2.215 -16.387) 16.601 26.775 ( 0.554 2.504 -8.246) 8.635 26.993 ( -2.110 -5.833 4.798) 7.842 27.165 ( 0.559 0.626 10.053) 10.088 27.364 ( 0.076 0.521 -0.683) 0.863 27.655 ( -0.861 0.114 11.706) 11.738 27.769 ( 0.577 0.194 11.008) 11.024 27.919 ( -0.339 0.033 14.183) 14.187 28.717 ( -5.312 -9.560 8.794) 14.034 29.201 ( 5.515 9.049 3.009) 11.016 29.596 ( -1.872 -2.644 2.472) 4.076 29.824 ( -0.635 -1.700 -3.002) 3.508 31.165 ( 3.307 6.325 -7.333) 10.234 31.828 ( 0.843 1.001 -19.682) 19.726 32.278 ( 2.058 3.684 -17.889) 18.380 ======================= Grid point 52 (14/56) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 12.341 14.208 9.010) 20.865 1.524 ( 14.697 17.416 6.355) 23.658 1.870 ( -10.217 -7.455 6.876) 14.396 1.973 ( -16.956 -8.753 6.798) 20.257 2.080 ( -1.884 -9.091 9.766) 13.475 2.302 ( 4.770 -13.147 8.950) 16.604 2.486 ( 14.732 16.610 9.697) 24.227 2.674 ( 1.456 6.081 9.900) 11.709 2.771 ( 3.095 4.617 4.319) 7.039 2.997 ( -16.055 4.054 2.039) 16.684 3.144 ( -14.100 -6.291 4.036) 15.959 3.205 ( -2.629 2.126 8.139) 8.814 3.343 ( 5.829 -4.494 7.064) 10.202 3.374 ( 0.098 -7.387 7.754) 10.710 3.458 ( 1.310 -2.287 10.536) 10.860 3.732 ( 8.608 -22.804 4.338) 24.757 4.122 ( -2.429 17.068 -1.444) 17.300 4.417 ( 1.624 2.021 -0.384) 2.621 4.436 ( 1.253 0.593 3.200) 3.487 4.526 ( -0.450 9.384 -0.740) 9.423 4.633 ( -2.708 1.028 -3.001) 4.171 4.720 ( -0.639 -6.734 -3.345) 7.546 4.845 ( 2.785 -1.905 0.075) 3.375 4.884 ( -0.496 -3.749 0.788) 3.862 5.064 ( 3.352 5.941 -3.430) 7.635 5.161 ( -5.089 1.658 -3.255) 6.264 5.266 ( 2.845 -2.140 -3.832) 5.231 17.878 ( -0.440 4.014 -3.103) 5.092 18.440 ( 5.371 4.133 -13.503) 15.108 18.736 ( -4.296 -5.820 11.537) 13.617 19.001 ( 0.020 0.840 5.495) 5.558 19.212 ( -1.533 -2.645 12.514) 12.883 19.953 ( 1.193 2.677 1.600) 3.339 20.823 ( -2.355 -3.816 -3.984) 5.998 21.717 ( 0.251 0.073 -13.824) 13.826 21.882 ( 0.534 -2.100 -30.617) 30.694 22.938 ( 0.426 0.738 0.410) 0.946 22.955 ( 0.337 1.426 6.984) 7.136 23.154 ( -0.092 -0.397 1.863) 1.907 23.421 ( -0.724 -1.504 20.264) 20.332 24.461 ( -1.411 4.029 -1.777) 4.624 24.777 ( 1.338 -10.265 -6.015) 11.973 25.032 ( -1.976 2.230 -10.941) 11.340 25.298 ( -0.208 -0.159 -2.439) 2.453 25.432 ( 0.879 0.702 -21.951) 21.980 26.043 ( 0.818 0.860 2.074) 2.389 26.121 ( -0.430 0.084 3.004) 3.035 26.232 ( -0.474 -1.128 -5.515) 5.649 26.765 ( 2.656 3.666 -13.944) 14.660 26.810 ( 0.634 1.741 0.592) 1.945 26.929 ( -2.897 -0.497 -9.791) 10.223 27.180 ( 0.448 0.160 10.056) 10.067 27.376 ( 0.295 1.099 -0.951) 1.483 27.657 ( 0.422 1.468 3.711) 4.013 27.771 ( -0.716 -0.163 18.044) 18.059 27.897 ( -0.047 -2.320 14.402) 14.588 28.576 ( 0.504 -9.049 9.081) 12.830 29.382 ( 2.191 11.296 3.050) 11.904 29.535 ( -3.301 -0.494 3.958) 5.178 29.788 ( 0.108 -3.801 -5.223) 6.461 31.278 ( 2.674 3.825 -9.415) 10.508 31.790 ( -2.064 -1.973 -10.696) 11.070 32.335 ( 1.490 0.750 -18.330) 18.406 ======================= Grid point 53 (15/56) ======================= q-point: (-0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -19.679 -5.181 7.650) 21.740 1.518 ( -21.523 -3.592 6.413) 22.743 1.801 ( 11.738 5.824 8.836) 15.804 1.991 ( 13.534 12.947 8.952) 20.758 2.119 ( 12.863 -5.957 6.334) 15.526 2.310 ( 9.721 -10.989 9.767) 17.625 2.483 ( -24.081 -4.232 9.839) 26.355 2.667 ( -4.929 2.718 9.072) 10.676 2.751 ( -4.107 0.910 4.239) 5.972 2.955 ( 0.656 12.873 2.800) 13.190 3.184 ( 4.813 5.769 6.180) 9.728 3.216 ( 7.936 8.176 6.644) 13.190 3.340 ( 1.445 -3.824 8.526) 9.455 3.414 ( 7.384 -4.967 5.805) 10.626 3.477 ( 4.566 -2.632 9.375) 10.755 3.686 ( 12.457 -21.168 5.072) 25.080 4.088 ( -16.336 11.728 -1.351) 20.155 4.426 ( -1.238 0.324 2.206) 2.550 4.444 ( -1.962 -1.061 0.624) 2.316 4.549 ( -5.704 2.859 -0.940) 6.449 4.637 ( 1.121 4.326 -3.130) 5.455 4.732 ( 6.378 -2.823 -3.446) 7.780 4.818 ( -0.367 -3.889 -1.679) 4.252 4.885 ( 2.442 -1.118 3.094) 4.098 5.059 ( -6.811 0.347 -3.026) 7.461 5.162 ( 1.014 4.842 -4.478) 6.672 5.269 ( 0.576 -3.440 -3.314) 4.811 17.878 ( -3.261 2.389 -3.108) 5.099 18.440 ( -6.251 -2.604 -13.520) 15.122 18.735 ( 7.154 0.837 11.552) 13.614 19.002 ( -0.706 0.391 5.507) 5.566 19.212 ( 3.047 0.010 12.512) 12.878 19.953 ( -2.964 0.325 1.612) 3.390 20.825 ( 4.624 0.079 -4.045) 6.145 21.718 ( -0.132 -0.198 -13.832) 13.834 21.881 ( 1.456 -1.484 -30.576) 30.647 22.937 ( -0.951 0.041 0.585) 1.117 22.955 ( -1.325 0.389 6.802) 6.941 23.154 ( 0.393 -0.121 1.888) 1.932 23.422 ( 1.663 -0.125 20.245) 20.314 24.463 ( -2.679 3.239 -1.856) 4.595 24.773 ( 7.864 -6.160 -5.993) 11.649 25.032 ( -0.918 2.757 -10.664) 11.053 25.303 ( 0.755 -0.030 -2.129) 2.259 25.429 ( -1.326 -0.347 -22.490) 22.532 26.050 ( -0.726 -0.662 3.274) 3.418 26.108 ( -0.594 0.946 0.701) 1.319 26.238 ( 1.576 -0.327 -4.358) 4.645 26.762 ( -4.268 -0.210 -14.458) 15.076 26.835 ( -1.588 -1.629 3.523) 4.193 26.901 ( 0.887 4.144 -11.753) 12.494 27.179 ( -0.505 -0.244 10.037) 10.053 27.379 ( -0.866 0.196 -1.047) 1.372 27.676 ( -0.781 -0.127 1.047) 1.313 27.755 ( 0.165 0.891 19.765) 19.786 27.903 ( 2.300 -1.191 14.795) 15.020 28.573 ( 7.404 -4.910 9.306) 12.866 29.375 ( -10.804 3.901 2.792) 11.822 29.545 ( 2.018 2.519 4.272) 5.354 29.783 ( 3.010 -1.969 -5.308) 6.412 31.282 ( -4.377 -0.521 -9.462) 10.438 31.787 ( 2.531 0.893 -10.692) 11.024 32.336 ( -1.348 -0.928 -18.312) 18.385 ======================= Grid point 58 (16/56) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.000 -0.000 5.332) 5.332 1.683 ( -0.000 0.000 6.074) 6.074 1.740 ( -0.000 0.000 3.744) 3.744 1.941 ( -0.000 -0.000 12.064) 12.064 1.976 ( -0.000 0.000 10.087) 10.087 2.021 ( 0.000 -0.000 9.980) 9.980 2.629 ( -0.000 0.000 5.059) 5.059 2.806 ( -0.000 0.000 0.644) 0.644 2.937 ( -0.000 0.000 12.121) 12.121 3.079 ( 0.000 -0.000 4.848) 4.848 3.107 ( 0.000 0.000 0.498) 0.498 3.172 ( -0.000 -0.000 3.371) 3.371 3.236 ( -0.000 -0.000 7.952) 7.952 3.324 ( -0.000 -0.000 10.470) 10.470 3.378 ( -0.000 -0.000 13.156) 13.156 3.444 ( -0.000 -0.000 10.148) 10.148 4.363 ( -0.000 -0.000 -2.048) 2.048 4.447 ( 0.000 0.000 4.629) 4.629 4.450 ( -0.000 -0.000 -1.354) 1.354 4.540 ( -0.000 0.000 -3.481) 3.481 4.613 ( -0.000 -0.000 -2.978) 2.978 4.719 ( -0.000 0.000 -2.864) 2.864 4.777 ( 0.000 -0.000 -2.618) 2.618 4.855 ( 0.000 -0.000 4.581) 4.581 5.173 ( 0.000 0.000 -5.467) 5.467 5.175 ( -0.000 -0.000 -3.235) 3.235 5.202 ( -0.000 -0.000 -2.156) 2.156 17.929 ( -0.000 -0.000 -3.891) 3.891 18.484 ( -0.000 -0.000 -15.400) 15.400 18.666 ( 0.000 -0.000 14.049) 14.049 19.012 ( -0.000 -0.000 6.409) 6.409 19.186 ( 0.000 -0.000 10.276) 10.276 19.985 ( -0.000 -0.000 1.589) 1.589 20.780 ( -0.000 -0.000 -3.708) 3.708 21.718 ( -0.000 -0.000 -14.666) 14.666 21.855 ( -0.000 -0.000 -29.529) 29.529 22.946 ( 0.000 -0.000 -0.379) 0.379 22.971 ( -0.000 -0.000 9.382) 9.382 23.149 ( -0.000 -0.000 2.704) 2.704 23.407 ( -0.000 -0.000 18.052) 18.052 24.572 ( -0.000 -0.000 -9.939) 9.939 24.602 ( -0.000 0.000 2.337) 2.337 25.051 ( -0.000 -0.000 -11.525) 11.525 25.295 ( -0.000 -0.000 -1.015) 1.015 25.439 ( -0.000 -0.000 -22.486) 22.486 26.053 ( -0.000 -0.000 6.448) 6.448 26.120 ( -0.000 -0.000 2.075) 2.075 26.218 ( -0.000 -0.000 -9.243) 9.243 26.807 ( -0.000 -0.000 -13.658) 13.658 26.827 ( -0.000 -0.000 12.566) 12.566 26.933 ( -0.000 -0.000 -24.210) 24.210 27.181 ( -0.000 -0.000 10.202) 10.202 27.393 ( -0.000 -0.000 -1.271) 1.271 27.669 ( -0.000 -0.000 -1.530) 1.530 27.785 ( -0.000 -0.000 21.211) 21.211 27.851 ( -0.000 -0.000 17.101) 17.101 28.476 ( 0.000 -0.000 10.486) 10.486 29.511 ( 0.000 -0.000 -0.240) 0.240 29.559 ( -0.000 -0.000 9.541) 9.541 29.714 ( 0.000 -0.000 -8.102) 8.102 31.323 ( 0.000 0.000 -11.070) 11.070 31.764 ( 0.000 -0.000 -8.035) 8.035 32.341 ( 0.000 -0.000 -18.108) 18.108 ======================= Grid point 86 (17/56) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.000 0.000 27.831) 27.831 1.133 ( 0.000 -0.000 27.831) 27.831 1.866 ( 0.000 0.000 40.766) 40.766 2.575 ( 0.000 0.000 9.951) 9.951 2.790 ( -0.000 0.000 3.939) 3.939 2.790 ( 0.000 0.000 3.939) 3.939 2.854 ( 0.000 -0.000 14.201) 14.201 2.950 ( -0.000 0.000 7.059) 7.059 2.950 ( -0.000 0.000 7.059) 7.059 3.174 ( -0.000 0.000 1.305) 1.305 3.327 ( 0.000 -0.000 4.276) 4.276 3.327 ( 0.000 -0.000 4.276) 4.276 3.379 ( 0.000 0.000 11.193) 11.193 3.379 ( 0.000 0.000 11.193) 11.193 3.603 ( 0.000 0.000 11.595) 11.595 4.151 ( 0.000 0.000 3.454) 3.454 4.151 ( 0.000 0.000 3.454) 3.454 4.297 ( 0.000 0.000 1.584) 1.584 4.297 ( 0.000 0.000 1.584) 1.584 4.493 ( 0.000 0.000 -3.101) 3.101 4.625 ( 0.000 0.000 7.395) 7.395 4.721 ( 0.000 0.000 -0.238) 0.238 4.721 ( 0.000 0.000 -0.238) 0.238 4.826 ( -0.000 0.000 -2.487) 2.487 5.049 ( 0.000 0.000 -6.767) 6.767 5.049 ( 0.000 0.000 -6.767) 6.767 5.164 ( 0.000 0.000 3.103) 3.103 17.729 ( 0.000 0.000 -2.322) 2.322 17.729 ( 0.000 0.000 -2.322) 2.322 19.054 ( 0.000 0.000 5.002) 5.002 19.054 ( -0.000 0.000 5.002) 5.002 19.827 ( 0.000 0.000 1.478) 1.478 20.548 ( 0.000 0.000 -18.519) 18.519 20.901 ( 0.000 0.000 -13.009) 13.009 20.901 ( 0.000 0.000 -13.009) 13.009 21.827 ( 0.000 0.000 -0.590) 0.590 22.892 ( 0.000 0.000 -0.021) 0.021 22.892 ( 0.000 0.000 -0.021) 0.021 22.940 ( 0.000 0.000 -10.141) 10.141 24.316 ( -0.000 0.000 1.692) 1.692 24.543 ( 0.000 0.000 4.296) 4.296 24.543 ( 0.000 0.000 4.296) 4.296 24.970 ( 0.000 0.000 -6.333) 6.333 24.970 ( 0.000 0.000 -6.333) 6.333 25.218 ( 0.000 0.000 -4.559) 4.559 25.835 ( 0.000 0.000 -1.624) 1.624 25.987 ( -0.000 0.000 -10.457) 10.457 25.987 ( 0.000 0.000 -10.457) 10.457 26.509 ( 0.000 0.000 -7.667) 7.667 26.509 ( 0.000 0.000 -7.667) 7.667 27.281 ( 0.000 0.000 8.073) 8.073 27.376 ( 0.000 0.000 0.793) 0.793 27.376 ( 0.000 0.000 0.793) 0.793 27.512 ( 0.000 0.000 -9.122) 9.122 28.297 ( 0.000 0.000 18.910) 18.910 28.297 ( 0.000 0.000 18.910) 18.910 29.158 ( 0.000 0.000 7.318) 7.318 29.158 ( 0.000 0.000 7.318) 7.318 29.547 ( 0.000 0.000 -10.845) 10.845 29.895 ( 0.000 0.000 -4.372) 4.372 30.844 ( 0.000 0.000 -10.728) 10.728 30.844 ( 0.000 -0.000 -10.728) 10.728 31.887 ( -0.000 0.000 -19.970) 19.970 ======================= Grid point 87 (18/56) ======================= q-point: ( 0.17 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 6.377 3.951 24.253) 25.387 1.228 ( 8.139 4.418 24.773) 26.448 2.068 ( 15.322 8.839 33.036) 37.473 2.418 ( -9.955 -6.109 11.204) 16.185 2.619 ( -13.225 -2.857 5.813) 14.726 2.709 ( -4.052 -9.636 9.095) 13.856 2.784 ( -4.274 -1.973 10.751) 11.736 2.903 ( -6.035 -0.657 10.107) 11.790 2.990 ( -1.075 -1.488 8.144) 8.348 3.144 ( -7.652 -0.454 3.277) 8.337 3.276 ( 4.676 -1.197 5.220) 7.109 3.350 ( 4.530 3.844 6.457) 8.774 3.474 ( 7.880 -3.376 7.805) 11.593 3.545 ( 5.400 11.441 5.196) 13.677 3.661 ( 5.097 1.750 12.086) 13.233 4.025 ( -9.694 -7.075 7.015) 13.901 4.102 ( -3.481 0.093 5.297) 6.339 4.333 ( 2.467 1.145 1.058) 2.918 4.337 ( 1.696 0.564 0.238) 1.803 4.489 ( 1.484 0.752 -2.182) 2.744 4.623 ( -0.277 -0.153 5.857) 5.865 4.722 ( -1.506 -0.667 -1.631) 2.318 4.761 ( 2.925 1.308 -1.907) 3.729 4.829 ( 1.024 0.883 -2.825) 3.132 5.046 ( -0.586 -0.409 -6.386) 6.426 5.072 ( 0.639 0.549 -5.997) 6.056 5.144 ( -0.166 -0.209 3.078) 3.090 17.742 ( 1.019 0.592 -2.536) 2.797 17.849 ( 9.176 5.293 -6.391) 12.372 19.053 ( -0.138 -0.064 5.928) 5.930 19.069 ( 1.252 0.707 5.467) 5.652 19.853 ( 1.625 0.933 1.635) 2.487 20.113 ( -24.568 -14.165 3.320) 28.553 20.858 ( -3.565 -2.101 -11.979) 12.673 21.104 ( 8.374 4.864 -25.936) 27.685 21.708 ( -8.399 -4.854 -4.893) 10.865 22.903 ( 0.610 1.017 -1.121) 1.632 22.913 ( 2.173 0.546 -0.609) 2.322 23.013 ( 4.852 2.849 -6.479) 8.581 24.102 ( -10.489 -6.056 17.046) 20.910 24.504 ( -3.253 -1.889 2.112) 4.314 24.680 ( 4.971 2.898 -9.195) 10.847 24.918 ( -3.722 -2.212 -5.479) 6.983 24.974 ( 0.429 0.287 -10.100) 10.113 25.258 ( 2.296 1.336 -2.962) 3.978 25.819 ( 0.968 0.507 -8.394) 8.465 26.002 ( 1.206 0.811 -10.712) 10.810 26.167 ( 11.369 6.501 -4.047) 13.708 26.457 ( -4.138 -2.499 -7.147) 8.628 26.510 ( 0.056 0.145 -8.569) 8.570 27.159 ( -7.192 -4.182 1.000) 8.379 27.314 ( -2.572 -1.348 1.033) 3.081 27.421 ( 2.196 1.128 5.168) 5.728 27.636 ( 5.837 3.404 -4.319) 8.020 28.175 ( -7.026 -4.055 19.360) 20.991 28.290 ( -0.606 -0.379 19.091) 19.105 29.059 ( -6.612 -4.004 9.232) 12.041 29.172 ( 2.232 1.539 5.660) 6.276 29.557 ( 0.413 0.215 -7.915) 7.929 29.874 ( -1.723 -0.995 1.227) 2.338 30.893 ( 3.966 2.198 -11.303) 12.178 31.128 ( 17.591 10.237 -22.874) 30.618 31.878 ( -0.590 -0.347 -20.425) 20.437 ======================= Grid point 88 (19/56) ======================= q-point: ( 0.33 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 12.346 8.846 15.921) 22.003 1.475 ( 14.739 6.552 17.619) 23.887 2.157 ( -9.883 -4.993 8.438) 13.922 2.333 ( -15.352 -6.919 9.787) 19.477 2.431 ( -5.337 -4.946 10.965) 13.160 2.510 ( 10.728 2.638 21.098) 23.815 2.750 ( 3.700 2.671 15.141) 15.814 2.829 ( -3.343 0.199 10.677) 11.190 2.931 ( -4.063 0.079 8.218) 9.168 2.982 ( -6.372 -2.262 6.684) 9.507 3.321 ( 1.164 -0.969 8.216) 8.354 3.453 ( -0.125 -3.828 10.158) 10.856 3.561 ( 5.150 -1.611 8.116) 9.746 3.686 ( 0.333 4.673 6.138) 7.722 3.754 ( -4.451 -2.019 10.489) 11.572 3.806 ( 2.314 1.584 8.412) 8.867 4.067 ( -2.303 2.752 5.993) 6.985 4.364 ( 1.859 0.642 -0.130) 1.971 4.393 ( 3.619 -0.923 0.004) 3.735 4.523 ( 0.407 -0.046 0.032) 0.411 4.600 ( -1.499 -0.664 1.616) 2.302 4.690 ( -0.631 -0.712 -4.368) 4.470 4.830 ( 1.897 2.359 -3.546) 4.662 4.853 ( 1.357 0.377 -2.548) 2.911 5.008 ( -1.695 -1.828 -2.162) 3.300 5.059 ( -1.926 0.504 -3.258) 3.819 5.187 ( 2.792 0.963 -2.900) 4.139 17.768 ( 1.032 0.608 -3.003) 3.233 18.070 ( 8.740 5.024 -11.776) 15.502 19.043 ( -0.896 -0.450 9.545) 9.598 19.104 ( 1.695 0.909 6.862) 7.127 19.601 ( -15.585 -8.985 10.760) 20.962 19.947 ( 3.061 1.821 2.546) 4.378 20.759 ( -4.351 -2.652 -9.664) 10.925 21.234 ( 3.886 2.345 -28.508) 28.867 21.521 ( -7.166 -4.181 -12.301) 14.837 22.923 ( 0.502 0.789 -1.110) 1.451 22.963 ( 2.378 0.792 -1.141) 2.755 23.117 ( 3.670 2.224 -2.513) 4.973 23.930 ( -4.781 -2.782 21.423) 22.126 24.414 ( -4.004 -2.290 -2.450) 5.223 24.734 ( 0.516 0.447 -10.315) 10.337 24.840 ( -2.458 -1.723 -3.005) 4.247 24.992 ( 0.909 0.656 -15.319) 15.360 25.290 ( 0.528 0.340 -1.456) 1.586 25.882 ( 4.179 1.979 -10.507) 11.479 26.030 ( 0.301 0.961 -10.774) 10.821 26.303 ( -3.149 -2.501 1.678) 4.358 26.433 ( 5.784 3.377 -9.103) 11.301 26.517 ( 0.518 0.605 -11.103) 11.132 27.018 ( -4.864 -2.783 0.587) 5.635 27.287 ( 0.061 0.275 -1.178) 1.211 27.450 ( 0.480 -0.107 4.377) 4.405 27.698 ( -0.050 0.079 4.686) 4.687 28.099 ( 0.142 0.091 14.422) 14.423 28.269 ( -1.096 -0.795 19.410) 19.457 28.913 ( -5.215 -3.208 10.392) 12.062 29.272 ( 5.398 3.771 2.733) 7.129 29.553 ( -0.735 -0.699 -5.452) 5.545 29.823 ( -2.485 -1.398 4.922) 5.688 30.992 ( 4.101 2.070 -13.265) 14.038 31.425 ( 7.348 4.535 -22.166) 23.788 31.872 ( 0.285 0.088 -23.842) 23.844 ======================= Grid point 89 (20/56) ======================= q-point: (-0.50 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 0.000 10.619) 10.619 1.795 ( 0.000 0.000 11.224) 11.224 1.941 ( 0.000 0.000 10.711) 10.711 2.042 ( -0.000 -0.000 14.768) 14.768 2.341 ( 0.000 0.000 8.784) 8.784 2.607 ( 0.000 0.000 9.953) 9.953 2.785 ( 0.000 0.000 7.698) 7.698 2.882 ( 0.000 0.000 7.986) 7.986 2.903 ( 0.000 0.000 12.343) 12.343 3.036 ( 0.000 0.000 19.680) 19.680 3.189 ( 0.000 0.000 16.044) 16.044 3.362 ( 0.000 0.000 11.405) 11.405 3.613 ( 0.000 -0.000 9.716) 9.716 3.678 ( 0.000 0.000 13.302) 13.302 3.748 ( -0.000 0.000 3.788) 3.788 3.863 ( 0.000 -0.000 6.289) 6.289 4.066 ( 0.000 -0.000 5.293) 5.293 4.393 ( 0.000 0.000 -1.179) 1.179 4.422 ( 0.000 0.000 0.669) 0.669 4.510 ( 0.000 0.000 -0.743) 0.743 4.589 ( 0.000 -0.000 1.732) 1.732 4.677 ( 0.000 0.000 -5.700) 5.700 4.854 ( 0.000 -0.000 -4.641) 4.641 4.875 ( 0.000 0.000 -2.490) 2.490 4.989 ( 0.000 0.000 -1.740) 1.740 5.034 ( 0.000 0.000 -2.267) 2.267 5.219 ( 0.000 0.000 -4.012) 4.012 17.781 ( 0.000 0.000 -3.255) 3.255 18.181 ( 0.000 0.000 -14.263) 14.263 19.026 ( 0.000 0.000 13.788) 13.788 19.128 ( 0.000 0.000 8.496) 8.496 19.417 ( -0.000 -0.000 8.500) 8.500 19.992 ( 0.000 0.000 2.473) 2.473 20.700 ( 0.000 0.000 -8.357) 8.357 21.292 ( 0.000 0.000 -28.475) 28.475 21.421 ( 0.000 0.000 -15.445) 15.445 22.932 ( 0.000 0.000 -1.085) 1.085 22.990 ( 0.000 0.000 -1.517) 1.517 23.163 ( 0.000 0.000 -0.469) 0.469 23.877 ( 0.000 0.000 21.721) 21.721 24.361 ( 0.000 0.000 -4.894) 4.894 24.736 ( 0.000 0.000 -9.453) 9.453 24.810 ( 0.000 0.000 -1.823) 1.823 25.005 ( 0.000 0.000 -16.965) 16.965 25.294 ( 0.000 0.000 -1.026) 1.026 25.955 ( 0.000 0.000 -11.840) 11.840 26.019 ( -0.000 -0.000 -9.237) 9.237 26.243 ( 0.000 0.000 0.744) 0.744 26.502 ( 0.000 0.000 -10.416) 10.416 26.540 ( 0.000 0.000 -9.658) 9.658 26.957 ( 0.000 0.000 0.996) 0.996 27.298 ( 0.000 0.000 -2.252) 2.252 27.447 ( 0.000 0.000 2.851) 2.851 27.689 ( 0.000 0.000 8.703) 8.703 28.114 ( 0.000 0.000 12.435) 12.435 28.251 ( 0.000 0.000 19.678) 19.678 28.849 ( 0.000 0.000 10.795) 10.795 29.360 ( 0.000 0.000 0.642) 0.642 29.532 ( 0.000 0.000 -4.373) 4.373 29.788 ( 0.000 0.000 6.152) 6.152 31.042 ( 0.000 0.000 -14.845) 14.845 31.498 ( 0.000 0.000 -16.775) 16.775 31.880 ( 0.000 0.000 -27.126) 27.126 ======================= Grid point 94 (21/56) ======================= q-point: ( 0.17 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 7.939 11.784 18.415) 23.260 1.399 ( 6.195 12.935 19.528) 24.229 2.209 ( -4.005 -7.064 7.028) 10.740 2.369 ( 4.545 5.157 22.671) 23.691 2.474 ( 0.958 -1.387 15.770) 15.860 2.550 ( -11.954 -9.608 9.829) 18.216 2.690 ( -6.377 -11.589 10.696) 17.011 2.787 ( 2.080 0.259 8.837) 9.082 2.924 ( -0.772 -3.434 11.054) 11.601 3.175 ( 7.794 -7.072 2.751) 10.878 3.288 ( -9.664 6.152 4.709) 12.386 3.408 ( 0.800 4.647 10.115) 11.160 3.474 ( -0.061 1.754 10.137) 10.288 3.669 ( 3.611 0.271 11.928) 12.465 3.822 ( 7.588 11.283 2.208) 13.776 3.898 ( -11.454 -5.650 11.235) 17.010 3.963 ( 3.373 -10.869 7.714) 13.749 4.350 ( 0.805 2.401 -0.131) 2.536 4.406 ( 0.862 4.247 -0.269) 4.342 4.531 ( 1.131 2.893 -1.128) 3.304 4.608 ( -0.859 -1.555 2.175) 2.808 4.697 ( -1.286 -2.055 -4.118) 4.779 4.786 ( 0.249 0.002 -1.598) 1.618 4.857 ( 2.038 2.726 -2.896) 4.469 5.030 ( -2.001 -1.876 -1.106) 2.957 5.074 ( 1.771 -0.076 -6.522) 6.758 5.161 ( 0.260 1.917 -0.923) 2.144 17.771 ( 1.187 2.034 -3.085) 3.881 18.005 ( 5.266 9.155 -10.414) 14.833 19.042 ( -0.620 -1.156 8.232) 8.336 19.098 ( 1.171 2.111 6.333) 6.778 19.705 ( -10.612 -18.376 10.022) 23.468 19.932 ( 1.543 2.571 2.808) 4.108 20.788 ( -2.750 -4.542 -10.143) 11.448 21.203 ( 2.444 4.080 -28.474) 28.869 21.566 ( -4.678 -8.048 -10.395) 13.953 22.913 ( 0.735 0.626 -1.082) 1.450 22.966 ( 1.620 3.640 -0.832) 4.070 23.084 ( 2.180 3.555 -3.764) 5.618 23.961 ( -3.780 -6.523 21.052) 22.361 24.443 ( -2.269 -3.943 -2.134) 5.024 24.719 ( 0.165 0.103 -8.028) 8.031 24.860 ( -1.792 -2.693 -5.438) 6.327 24.989 ( 0.834 1.245 -14.108) 14.187 25.284 ( 0.470 0.757 -1.702) 1.921 25.859 ( 1.845 3.709 -10.216) 11.024 26.025 ( 1.243 1.195 -11.032) 11.166 26.312 ( 0.008 0.855 2.527) 2.668 26.401 ( 1.498 2.664 -10.756) 11.182 26.522 ( 0.910 1.084 -10.256) 10.353 27.052 ( -3.213 -5.553 0.533) 6.438 27.286 ( -0.179 -0.740 -0.667) 1.012 27.441 ( -0.153 0.327 4.613) 4.627 27.705 ( 1.328 2.131 2.299) 3.405 28.096 ( -1.171 -2.006 15.909) 16.077 28.274 ( -0.830 -1.221 19.339) 19.395 28.926 ( -4.648 -7.727 11.246) 14.414 29.259 ( 4.334 6.576 2.588) 8.290 29.559 ( -0.303 -0.204 -6.073) 6.084 29.842 ( -1.219 -2.148 4.580) 5.203 30.962 ( 2.150 4.185 -12.792) 13.630 31.375 ( 6.596 10.993 -23.935) 27.152 31.869 ( -0.257 -0.349 -22.430) 22.434 ======================= Grid point 95 (22/56) ======================= q-point: ( 0.33 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 7.373 10.240 14.586) 19.287 1.690 ( 11.821 13.266 10.337) 20.557 2.047 ( -7.292 -6.661 10.131) 14.149 2.153 ( -12.947 -6.914 11.278) 18.510 2.305 ( -5.442 -6.776 11.802) 14.657 2.518 ( 4.427 -10.892 11.439) 16.404 2.705 ( 3.733 2.250 9.042) 10.038 2.870 ( 3.858 0.091 11.233) 11.877 3.007 ( 8.625 12.728 18.347) 23.938 3.052 ( -11.587 4.806 4.188) 13.225 3.283 ( 1.085 -5.719 8.127) 9.997 3.397 ( -4.773 -0.056 10.840) 11.845 3.482 ( -1.888 -3.433 10.833) 11.520 3.647 ( -0.773 0.090 15.799) 15.818 3.730 ( -0.254 -2.993 15.808) 16.091 3.870 ( 5.570 -13.997 9.228) 17.667 4.090 ( -0.782 13.778 -1.250) 13.857 4.385 ( 1.149 1.519 -1.920) 2.705 4.464 ( 1.573 3.845 -2.049) 4.633 4.541 ( -2.465 1.565 0.302) 2.936 4.591 ( -0.344 0.974 0.838) 1.330 4.633 ( -0.362 -5.467 -5.227) 7.573 4.789 ( 1.817 -3.806 -2.513) 4.909 4.917 ( 0.211 3.115 -1.539) 3.481 4.998 ( -0.059 1.194 -2.239) 2.538 5.077 ( -2.571 0.945 -4.878) 5.594 5.186 ( 2.149 -1.064 -2.737) 3.639 17.806 ( -0.308 2.746 -3.814) 4.710 18.154 ( 3.739 2.928 -13.639) 14.442 19.011 ( -0.427 -2.388 13.281) 13.501 19.138 ( 0.592 2.110 7.810) 8.111 19.433 ( -4.894 -6.614 9.231) 12.366 19.995 ( 1.262 2.585 2.341) 3.708 20.705 ( -1.849 -2.444 -7.859) 8.435 21.265 ( 2.155 0.486 -28.365) 28.451 21.433 ( -2.988 -3.833 -15.330) 16.082 22.928 ( 0.376 0.148 -0.946) 1.028 23.020 ( -0.257 4.102 -1.835) 4.501 23.139 ( 1.972 -0.246 -0.546) 2.061 23.872 ( -1.173 -2.526 21.808) 21.986 24.373 ( -1.824 -1.651 -6.988) 7.409 24.702 ( 0.563 -2.854 -2.549) 3.868 24.825 ( -0.841 0.073 -6.653) 6.707 25.015 ( 0.196 1.420 -16.663) 16.724 25.288 ( 0.144 -0.574 -0.945) 1.115 25.940 ( 2.586 3.796 -10.833) 11.767 26.047 ( -0.822 0.422 -11.409) 11.446 26.218 ( -1.617 -5.027 1.090) 5.392 26.513 ( 1.825 3.637 -9.115) 9.982 26.553 ( 0.289 2.564 -10.606) 10.916 26.966 ( -1.854 -2.228 0.941) 3.047 27.299 ( 0.773 1.336 -2.478) 2.919 27.422 ( 0.006 -2.574 2.427) 3.537 27.716 ( -1.103 1.256 9.124) 9.276 28.100 ( 1.264 0.221 11.489) 11.560 28.244 ( -0.569 -1.569 20.180) 20.249 28.807 ( -0.611 -5.685 12.990) 14.193 29.400 ( 2.192 7.338 -1.456) 7.795 29.539 ( -1.246 -0.671 -5.221) 5.410 29.798 ( -1.425 -1.097 7.832) 8.035 31.027 ( 1.725 1.309 -15.153) 15.307 31.510 ( 1.217 3.354 -16.932) 17.304 31.869 ( 0.534 -0.402 -26.834) 26.843 ======================= Grid point 96 (23/56) ======================= q-point: (-0.50 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -13.711 -1.224 12.342) 18.488 1.706 ( -16.754 -4.169 12.243) 21.165 2.007 ( 10.500 4.307 11.406) 16.090 2.206 ( 10.981 11.535 11.960) 19.917 2.281 ( 9.774 -3.988 9.674) 14.318 2.540 ( 10.415 -10.677 11.946) 19.110 2.729 ( -6.194 -0.857 11.520) 13.107 2.809 ( -4.050 -0.770 6.356) 7.575 2.965 ( -9.686 3.411 14.747) 17.970 3.065 ( -4.623 5.512 10.984) 13.131 3.348 ( 3.571 -4.332 8.130) 9.880 3.415 ( 8.560 6.945 12.924) 16.987 3.468 ( 2.396 -1.853 7.961) 8.518 3.645 ( -0.133 -0.390 14.574) 14.580 3.732 ( 2.877 0.532 14.739) 15.027 3.852 ( 8.749 -13.249 11.695) 19.720 4.059 ( -14.259 9.026 -1.016) 16.906 4.398 ( -1.809 0.054 -2.326) 2.947 4.477 ( -2.510 -0.975 -1.290) 2.986 4.557 ( 0.929 4.306 -1.768) 4.746 4.577 ( -1.000 -0.098 1.164) 1.538 4.644 ( 4.815 -2.407 -5.235) 7.509 4.771 ( 1.320 -2.962 -1.361) 3.517 4.925 ( -2.547 0.815 -1.834) 3.243 5.003 ( -0.701 0.468 -1.775) 1.965 5.059 ( -0.431 2.949 -5.002) 5.823 5.194 ( 0.330 -2.209 -2.999) 3.739 17.806 ( -2.233 1.642 -3.814) 4.715 18.154 ( -4.388 -1.780 -13.647) 14.445 19.010 ( 2.239 -0.802 13.287) 13.498 19.139 ( -2.081 0.516 7.824) 8.112 19.432 ( 8.163 0.942 9.213) 12.345 19.995 ( -2.904 0.213 2.347) 3.740 20.706 ( 3.140 0.343 -7.840) 8.452 21.264 ( -1.565 -1.582 -28.389) 28.476 21.434 ( 4.840 0.643 -15.341) 16.099 22.926 ( -0.515 -0.166 -1.115) 1.239 23.023 ( -3.173 2.209 -1.528) 4.157 23.138 ( -0.842 -1.844 -0.686) 2.140 23.873 ( 2.792 -0.257 21.831) 22.011 24.373 ( 2.321 0.764 -7.082) 7.492 24.702 ( 2.105 -1.869 -2.110) 3.518 24.827 ( 0.549 0.678 -6.883) 6.938 25.014 ( -1.414 0.575 -16.873) 16.942 25.287 ( 0.402 -0.403 -0.884) 1.051 25.949 ( -4.628 -0.805 -11.344) 12.278 26.031 ( -0.049 1.508 -10.094) 10.206 26.227 ( 5.518 -1.328 0.294) 5.683 26.510 ( -4.026 0.414 -8.912) 9.788 26.554 ( -2.630 0.947 -10.859) 11.213 26.965 ( 2.829 0.516 1.121) 3.086 27.297 ( -1.669 0.046 -2.366) 2.896 27.426 ( 2.460 -1.394 2.294) 3.641 27.716 ( -0.602 1.610 8.914) 9.078 28.100 ( -0.827 -0.957 11.772) 11.840 28.246 ( 1.757 -0.356 19.952) 20.032 28.807 ( 5.311 -2.348 13.057) 14.290 29.392 ( -7.718 2.006 -1.246) 8.071 29.544 ( 1.256 0.584 -5.689) 5.855 29.797 ( 1.636 0.705 8.119) 8.312 31.029 ( -1.789 -0.920 -15.226) 15.359 31.507 ( -3.723 0.708 -16.912) 17.332 31.870 ( 0.142 -0.688 -26.812) 26.822 ======================= Grid point 101 (24/56) ======================= q-point: ( 0.33 0.33 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -0.000 -0.000 10.076) 10.076 1.850 ( -0.000 -0.000 10.304) 10.304 1.878 ( 0.000 0.000 9.344) 9.344 2.192 ( -0.000 -0.000 12.776) 12.776 2.217 ( -0.000 0.000 13.223) 13.223 2.262 ( 0.000 -0.000 13.293) 13.293 2.804 ( -0.000 0.000 11.818) 11.818 2.830 ( -0.000 -0.000 1.716) 1.716 3.109 ( -0.000 -0.000 0.839) 0.839 3.168 ( -0.000 -0.000 8.728) 8.728 3.280 ( 0.000 -0.000 13.809) 13.809 3.357 ( -0.000 -0.000 16.927) 16.927 3.466 ( -0.000 -0.000 15.262) 15.262 3.598 ( -0.000 -0.000 15.803) 15.803 3.689 ( -0.000 -0.000 17.055) 17.055 3.701 ( 0.000 -0.000 14.768) 14.768 4.306 ( -0.000 -0.000 -3.444) 3.444 4.413 ( -0.000 -0.000 -2.281) 2.281 4.441 ( -0.000 -0.000 -6.329) 6.329 4.540 ( 0.000 0.000 2.854) 2.854 4.548 ( -0.000 -0.000 -3.444) 3.444 4.651 ( -0.000 -0.000 -3.515) 3.515 4.733 ( 0.000 -0.000 -0.304) 0.304 4.938 ( 0.000 -0.000 2.490) 2.490 5.036 ( -0.000 0.000 -7.875) 7.875 5.088 ( -0.000 -0.000 -5.135) 5.135 5.162 ( -0.000 -0.000 -0.844) 0.844 17.841 ( -0.000 -0.000 -4.590) 4.590 18.181 ( -0.000 -0.000 -14.316) 14.316 18.980 ( 0.000 -0.000 15.633) 15.633 19.164 ( -0.000 -0.000 8.145) 8.145 19.367 ( 0.000 -0.000 7.679) 7.679 20.025 ( -0.000 -0.000 2.144) 2.144 20.678 ( -0.000 -0.000 -6.437) 6.437 21.265 ( -0.000 -0.000 -28.343) 28.343 21.394 ( -0.000 -0.000 -16.591) 16.591 22.931 ( -0.000 -0.000 -1.016) 1.016 23.085 ( -0.000 -0.000 -5.261) 5.261 23.116 ( -0.000 -0.000 3.550) 3.550 23.845 ( -0.000 -0.000 21.892) 21.892 24.356 ( -0.000 -0.000 -10.790) 10.790 24.668 ( -0.000 -0.000 3.109) 3.109 24.826 ( -0.000 -0.000 -8.502) 8.502 25.032 ( -0.000 -0.000 -17.384) 17.384 25.279 ( -0.000 -0.000 -0.551) 0.551 25.994 ( 0.000 0.000 -12.912) 12.912 26.050 ( -0.000 -0.000 -10.937) 10.937 26.152 ( -0.000 -0.000 2.409) 2.409 26.552 ( -0.000 -0.000 -12.186) 12.186 26.584 ( -0.000 -0.000 -8.368) 8.368 26.942 ( -0.000 -0.000 1.434) 1.434 27.335 ( -0.000 -0.000 -4.467) 4.467 27.372 ( -0.000 -0.000 2.250) 2.250 27.730 ( -0.000 -0.000 11.338) 11.338 28.105 ( -0.000 -0.000 9.189) 9.189 28.223 ( -0.000 -0.000 21.474) 21.474 28.745 ( -0.000 -0.000 15.001) 15.001 29.499 ( 0.000 -0.000 -0.996) 0.996 29.518 ( -0.000 0.000 -10.444) 10.444 29.785 ( 0.000 -0.000 11.866) 11.866 31.039 ( -0.000 -0.000 -16.551) 16.551 31.545 ( -0.000 -0.000 -13.473) 13.473 31.863 ( -0.000 -0.000 -28.681) 28.681 ======================= Grid point 129 (25/56) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 0.000 26.014) 26.014 1.668 ( 0.000 0.000 26.014) 26.014 2.428 ( 0.000 0.000 14.232) 14.232 2.868 ( 0.000 0.000 4.175) 4.175 2.868 ( 0.000 0.000 4.175) 4.175 2.943 ( -0.000 0.000 26.647) 26.647 3.084 ( 0.000 0.000 5.847) 5.847 3.084 ( 0.000 0.000 5.847) 5.847 3.167 ( 0.000 0.000 15.751) 15.751 3.231 ( 0.000 0.000 6.727) 6.727 3.390 ( 0.000 0.000 1.959) 1.959 3.390 ( 0.000 0.000 1.959) 1.959 3.591 ( 0.000 0.000 9.082) 9.082 3.591 ( -0.000 0.000 9.082) 9.082 3.800 ( 0.000 -0.000 7.456) 7.456 4.261 ( 0.000 0.000 6.552) 6.552 4.261 ( 0.000 0.000 6.552) 6.552 4.340 ( 0.000 -0.000 3.335) 3.335 4.340 ( 0.000 0.000 3.335) 3.335 4.430 ( 0.000 0.000 -3.300) 3.300 4.742 ( 0.000 0.000 2.435) 2.435 4.742 ( 0.000 0.000 2.435) 2.435 4.743 ( 0.000 0.000 2.289) 2.289 4.840 ( 0.000 0.000 6.412) 6.412 4.898 ( -0.000 0.000 -7.837) 7.837 4.898 ( 0.000 0.000 -7.837) 7.837 5.226 ( 0.000 0.000 2.917) 2.917 17.686 ( -0.000 0.000 -1.877) 1.877 17.686 ( 0.000 0.000 -1.877) 1.877 19.162 ( 0.000 0.000 5.664) 5.664 19.162 ( -0.000 0.000 5.664) 5.664 19.857 ( 0.000 0.000 1.305) 1.305 20.163 ( 0.000 0.000 -19.728) 19.728 20.635 ( 0.000 -0.000 -13.224) 13.224 20.635 ( 0.000 0.000 -13.224) 13.224 21.694 ( 0.000 0.000 -12.508) 12.508 22.841 ( 0.000 0.000 0.750) 0.750 22.873 ( -0.000 0.000 -1.628) 1.628 22.873 ( 0.000 0.000 -1.628) 1.628 24.310 ( 0.000 0.000 -2.681) 2.681 24.587 ( 0.000 0.000 -1.175) 1.175 24.587 ( -0.000 0.000 -1.175) 1.175 24.917 ( 0.000 0.000 1.587) 1.587 24.917 ( 0.000 -0.000 1.587) 1.587 25.119 ( 0.000 -0.000 -4.721) 4.721 25.732 ( 0.000 0.000 -13.335) 13.335 25.732 ( -0.000 0.000 -13.335) 13.335 25.836 ( 0.000 -0.000 1.065) 1.065 26.407 ( 0.000 0.000 -3.736) 3.736 26.407 ( 0.000 0.000 -3.736) 3.736 27.292 ( 0.000 -0.000 -11.194) 11.194 27.381 ( 0.000 -0.000 -0.444) 0.444 27.381 ( 0.000 0.000 -0.444) 0.444 27.442 ( 0.000 0.000 6.720) 6.720 28.643 ( 0.000 0.000 15.750) 15.750 28.643 ( 0.000 0.000 15.750) 15.750 29.305 ( 0.000 0.000 7.044) 7.044 29.305 ( 0.000 0.000 7.044) 7.044 29.308 ( 0.000 -0.000 -12.697) 12.697 29.792 ( 0.000 0.000 -5.803) 5.803 30.604 ( 0.000 0.000 -12.935) 12.935 30.604 ( 0.000 -0.000 -12.935) 12.935 31.470 ( 0.000 0.000 -20.994) 20.994 ======================= Grid point 130 (26/56) ======================= q-point: ( 0.17 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 1.240 0.853 23.603) 23.651 1.719 ( 4.380 2.400 24.294) 24.803 2.428 ( -1.303 -0.821 9.562) 9.685 2.732 ( -9.961 -2.390 7.143) 12.488 2.787 ( -1.625 -5.818 9.186) 10.994 2.952 ( -4.767 -2.294 18.747) 19.479 3.028 ( -3.404 -3.756 13.027) 13.979 3.085 ( -5.301 2.797 7.619) 9.694 3.157 ( 1.030 0.374 10.502) 10.559 3.253 ( -2.759 -3.623 8.164) 9.348 3.354 ( 5.708 0.745 4.265) 7.164 3.420 ( 6.571 5.444 2.268) 8.829 3.650 ( 4.856 -2.113 8.500) 10.014 3.685 ( 2.523 7.344 7.410) 10.733 3.884 ( 6.238 2.820 8.837) 11.178 4.199 ( -4.882 -3.787 9.642) 11.452 4.244 ( -1.433 0.465 7.900) 8.042 4.351 ( -0.048 0.778 1.458) 1.653 4.374 ( 3.010 0.574 2.671) 4.065 4.446 ( 1.748 1.023 -1.546) 2.548 4.689 ( -3.058 -1.759 0.029) 3.528 4.700 ( -3.916 -2.081 0.296) 4.445 4.747 ( 0.262 -0.073 0.274) 0.386 4.857 ( 0.924 0.459 5.321) 5.420 4.902 ( 0.106 0.390 -7.065) 7.077 4.933 ( 2.472 1.256 -5.781) 6.411 5.217 ( -0.557 -0.328 3.502) 3.561 17.695 ( 0.678 0.396 -2.085) 2.228 17.748 ( 4.927 2.840 -3.986) 6.945 19.174 ( 1.021 0.607 6.032) 6.148 19.184 ( 1.915 1.087 5.906) 6.303 19.881 ( 1.081 0.624 0.603) 1.386 20.027 ( -9.517 -5.484 -9.677) 14.639 20.606 ( -2.304 -1.375 -12.698) 12.978 20.672 ( 2.660 1.571 -17.513) 17.784 21.548 ( -11.056 -6.383 -11.518) 17.194 22.860 ( 1.409 1.181 -1.125) 2.155 22.892 ( 1.949 0.526 -1.477) 2.502 22.939 ( 4.408 2.778 -1.762) 5.500 24.302 ( -0.975 -0.531 1.470) 1.842 24.502 ( -6.790 -3.971 -1.650) 8.037 24.571 ( -0.980 -0.593 -3.289) 3.483 24.834 ( -4.607 -2.677 -3.310) 6.273 24.896 ( -1.316 -0.673 3.199) 3.524 25.203 ( 4.607 2.649 -2.094) 5.712 25.631 ( -2.026 -1.217 -10.242) 10.511 25.739 ( 0.550 0.359 -13.733) 13.749 26.065 ( 12.067 6.957 -4.605) 14.671 26.371 ( -2.881 -1.711 -3.164) 4.608 26.400 ( -0.629 -0.311 -3.817) 3.881 27.135 ( -7.525 -4.355 -3.829) 9.500 27.302 ( -3.988 -2.262 -1.662) 4.877 27.416 ( 0.428 0.202 -4.580) 4.604 27.647 ( 11.246 6.508 4.889) 13.883 28.502 ( -9.038 -5.212 13.652) 17.183 28.642 ( -0.134 -0.096 16.051) 16.051 29.225 ( -5.626 -3.434 6.381) 9.174 29.280 ( 0.497 0.499 4.479) 4.534 29.396 ( 3.207 1.870 -6.441) 7.434 29.869 ( 4.400 2.504 -1.767) 5.362 30.641 ( 2.764 1.553 -13.674) 14.037 30.722 ( 9.575 5.576 -18.552) 21.609 31.457 ( -1.269 -0.735 -21.085) 21.136 ======================= Grid point 131 (27/56) ======================= q-point: ( 0.33 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 6.253 4.700 16.968) 18.684 1.855 ( 7.986 3.548 19.661) 21.515 2.351 ( -5.350 -3.291 11.034) 12.696 2.530 ( -11.846 -5.432 10.079) 16.475 2.608 ( -8.832 -5.955 9.056) 13.982 2.788 ( 0.366 -5.735 7.000) 9.057 2.978 ( -6.659 -1.053 6.021) 9.039 3.071 ( -6.200 9.972 7.963) 14.188 3.175 ( 1.537 -5.320 12.406) 13.586 3.243 ( 9.275 2.941 23.862) 25.770 3.457 ( 5.587 -1.079 6.857) 8.911 3.611 ( 7.428 -0.957 5.570) 9.334 3.738 ( 2.405 5.803 6.436) 8.994 3.758 ( -0.436 5.465 6.139) 8.230 3.982 ( 1.655 -2.502 12.361) 12.720 4.074 ( -1.873 -1.296 13.339) 13.533 4.229 ( -1.575 1.171 9.256) 9.461 4.348 ( -1.084 0.310 -0.146) 1.137 4.431 ( 3.084 -0.816 2.266) 3.913 4.491 ( 1.763 0.812 -0.791) 2.096 4.595 ( -4.189 -2.095 -1.269) 4.853 4.633 ( -2.223 -0.427 -2.584) 3.435 4.749 ( 0.444 -0.944 -3.903) 4.040 4.864 ( -0.800 0.933 1.397) 1.860 4.906 ( 0.615 -0.522 -6.132) 6.185 4.981 ( 1.309 1.071 -1.644) 2.358 5.210 ( 0.010 -0.070 3.461) 3.462 17.712 ( 0.665 0.396 -2.513) 2.630 17.873 ( 5.080 2.917 -8.095) 9.992 19.201 ( 1.120 0.717 6.647) 6.779 19.246 ( 3.540 1.947 6.789) 7.900 19.714 ( -11.565 -6.628 1.073) 13.373 19.988 ( 2.964 1.754 1.232) 3.658 20.545 ( -2.528 -1.606 -11.064) 11.462 20.743 ( 3.444 2.054 -20.586) 20.972 21.283 ( -10.756 -6.196 -12.081) 17.321 22.892 ( 0.704 1.281 -1.096) 1.826 22.940 ( 2.489 0.187 -0.789) 2.618 23.043 ( 3.978 2.686 -4.661) 6.690 24.261 ( -2.392 -0.933 6.606) 7.087 24.331 ( -6.722 -4.379 -1.203) 8.112 24.564 ( 0.524 -0.005 -6.896) 6.915 24.752 ( -2.516 -1.311 -8.180) 8.658 24.873 ( -0.846 -0.160 4.617) 4.696 25.276 ( 1.755 0.962 0.196) 2.011 25.652 ( 2.981 1.466 -11.764) 12.224 25.753 ( 0.381 0.440 -14.520) 14.532 26.247 ( -0.217 -0.339 -5.495) 5.510 26.337 ( 3.939 2.344 -3.228) 5.606 26.382 ( -0.787 -0.327 -3.952) 4.043 26.999 ( -4.368 -2.545 -2.325) 5.565 27.233 ( -1.753 -0.970 -3.660) 4.173 27.400 ( -1.426 -0.871 -6.009) 6.237 27.866 ( 7.092 4.128 8.983) 12.167 28.341 ( -4.324 -2.519 10.563) 11.688 28.633 ( -0.576 -0.406 16.658) 16.673 29.101 ( -4.308 -2.602 7.305) 8.871 29.311 ( 1.581 1.076 1.580) 2.481 29.442 ( 1.022 0.773 -3.887) 4.093 29.930 ( 1.167 0.517 4.308) 4.493 30.702 ( 2.217 1.154 -15.309) 15.512 30.967 ( 10.111 6.003 -23.585) 26.354 31.410 ( -2.737 -1.619 -21.745) 21.977 ======================= Grid point 132 (28/56) ======================= q-point: (-0.50 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 0.000 12.977) 12.977 2.041 ( 0.000 0.000 12.775) 12.775 2.174 ( -0.000 -0.000 12.804) 12.804 2.347 ( -0.000 -0.000 15.624) 15.624 2.537 ( 0.000 0.000 10.833) 10.833 2.773 ( 0.000 0.000 6.545) 6.545 2.895 ( 0.000 0.000 5.027) 5.027 3.061 ( 0.000 -0.000 7.880) 7.880 3.160 ( -0.000 0.000 12.875) 12.875 3.391 ( 0.000 -0.000 11.865) 11.865 3.520 ( 0.000 0.000 16.185) 16.185 3.644 ( 0.000 0.000 14.480) 14.480 3.725 ( 0.000 -0.000 4.193) 4.193 3.798 ( -0.000 0.000 8.477) 8.477 3.998 ( 0.000 -0.000 13.642) 13.642 4.084 ( 0.000 0.000 12.754) 12.754 4.208 ( 0.000 -0.000 7.573) 7.573 4.332 ( 0.000 -0.000 -2.697) 2.697 4.448 ( 0.000 -0.000 -1.465) 1.465 4.515 ( -0.000 0.000 5.011) 5.011 4.545 ( 0.000 0.000 -4.031) 4.031 4.616 ( 0.000 0.000 -2.859) 2.859 4.745 ( 0.000 0.000 -5.654) 5.654 4.859 ( 0.000 0.000 -0.267) 0.267 4.911 ( 0.000 0.000 -5.841) 5.841 4.996 ( 0.000 0.000 0.454) 0.454 5.211 ( 0.000 0.000 2.812) 2.812 17.720 ( 0.000 0.000 -2.734) 2.734 17.937 ( 0.000 0.000 -10.213) 10.213 19.216 ( 0.000 0.000 6.836) 6.836 19.311 ( 0.000 0.000 7.721) 7.721 19.548 ( -0.000 -0.000 4.770) 4.770 20.030 ( 0.000 0.000 1.014) 1.014 20.511 ( 0.000 0.000 -9.851) 9.851 20.800 ( 0.000 0.000 -20.915) 20.915 21.137 ( 0.000 0.000 -13.050) 13.050 22.905 ( 0.000 0.000 -0.769) 0.769 22.963 ( 0.000 0.000 -0.682) 0.682 23.097 ( 0.000 0.000 -5.852) 5.852 24.229 ( 0.000 0.000 -6.871) 6.871 24.245 ( 0.000 0.000 13.481) 13.481 24.572 ( 0.000 0.000 -7.205) 7.205 24.724 ( 0.000 0.000 -10.021) 10.021 24.865 ( 0.000 0.000 4.843) 4.843 25.293 ( 0.000 0.000 1.015) 1.015 25.703 ( 0.000 0.000 -12.558) 12.558 25.753 ( -0.000 -0.000 -14.688) 14.688 26.212 ( 0.000 0.000 -3.071) 3.071 26.371 ( 0.000 0.000 -4.421) 4.421 26.410 ( 0.000 0.000 -5.521) 5.521 26.946 ( 0.000 0.000 -1.679) 1.679 27.219 ( 0.000 0.000 -5.037) 5.037 27.377 ( 0.000 0.000 -6.305) 6.305 27.947 ( 0.000 0.000 12.865) 12.865 28.298 ( 0.000 0.000 7.522) 7.522 28.624 ( 0.000 0.000 16.947) 16.947 29.049 ( 0.000 0.000 8.081) 8.081 29.333 ( 0.000 0.000 -1.882) 1.882 29.454 ( 0.000 0.000 -1.860) 1.860 29.939 ( 0.000 0.000 6.615) 6.615 30.727 ( 0.000 0.000 -16.189) 16.189 31.105 ( 0.000 0.000 -23.387) 23.387 31.361 ( 0.000 0.000 -22.842) 22.842 ======================= Grid point 137 (29/56) ======================= q-point: ( 0.17 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 3.875 5.416 18.990) 20.124 1.811 ( 3.274 6.895 21.170) 22.504 2.380 ( -2.588 -3.947 10.023) 11.079 2.600 ( -1.927 -9.186 9.743) 13.529 2.715 ( -8.777 -7.195 7.160) 13.418 2.818 ( -9.298 -2.634 8.295) 12.736 2.891 ( 0.246 -11.039 8.248) 13.783 3.054 ( 6.080 -4.804 11.908) 14.207 3.207 ( 2.072 4.953 17.392) 18.202 3.275 ( -0.994 2.344 12.365) 12.624 3.408 ( -3.010 5.834 7.981) 10.334 3.563 ( 5.193 8.550 4.092) 10.808 3.655 ( 1.770 2.034 7.327) 7.808 3.827 ( 8.913 4.630 5.781) 11.589 3.962 ( -0.841 5.666 9.745) 11.304 4.142 ( -7.281 -1.932 11.671) 13.891 4.171 ( 3.381 -7.123 12.216) 14.539 4.354 ( 0.869 -0.091 0.922) 1.270 4.411 ( -0.560 2.539 0.094) 2.602 4.496 ( 1.529 3.314 -0.492) 3.683 4.617 ( -2.761 -5.360 -1.357) 6.180 4.633 ( -1.637 -3.645 -1.532) 4.279 4.762 ( -0.130 1.413 -1.939) 2.403 4.845 ( 0.098 -1.051 -1.371) 1.731 4.943 ( -0.046 1.314 -3.179) 3.440 4.952 ( 1.847 1.774 -2.957) 3.912 5.209 ( -0.261 -0.357 3.721) 3.748 17.714 ( 0.761 1.295 -2.559) 2.967 17.835 ( 3.015 5.248 -6.898) 9.177 19.194 ( 0.815 1.306 6.824) 6.996 19.225 ( 1.644 2.981 6.206) 7.078 19.785 ( -6.714 -11.679 -1.023) 13.510 19.972 ( 1.525 2.577 0.930) 3.136 20.566 ( -1.479 -2.320 -11.479) 11.803 20.715 ( 1.581 2.602 -20.207) 20.435 21.351 ( -6.781 -11.759 -11.679) 17.907 22.889 ( 1.722 1.046 -0.646) 2.116 22.927 ( 0.311 3.264 -2.000) 3.841 23.013 ( 2.765 3.984 -3.492) 5.976 24.272 ( -1.268 -2.687 5.312) 6.087 24.371 ( -4.945 -7.985 -0.557) 9.409 24.564 ( -0.026 0.339 -6.937) 6.945 24.776 ( -1.417 -2.556 -7.565) 8.110 24.876 ( -0.289 -1.042 5.274) 5.383 25.261 ( 1.264 2.268 -0.392) 2.626 25.637 ( 1.136 2.318 -11.445) 11.732 25.749 ( 0.502 0.575 -14.374) 14.394 26.232 ( 2.957 5.342 -6.663) 9.038 26.318 ( -0.328 -0.563 -1.898) 2.007 26.396 ( 0.048 -0.117 -3.979) 3.981 27.031 ( -2.948 -5.061 -2.624) 6.418 27.242 ( -1.581 -2.832 -3.022) 4.433 27.401 ( -1.139 -1.872 -5.790) 6.191 27.826 ( 5.574 9.602 7.425) 13.356 28.368 ( -3.770 -6.508 11.738) 13.941 28.635 ( -0.473 -0.711 16.392) 16.415 29.126 ( -3.285 -5.449 7.842) 10.098 29.302 ( 1.197 1.751 2.031) 2.937 29.437 ( 1.113 1.671 -4.626) 5.043 29.929 ( 1.448 2.747 3.079) 4.372 30.679 ( 1.020 1.958 -15.138) 15.298 30.908 ( 6.806 11.550 -22.843) 26.487 31.425 ( -1.500 -2.555 -21.427) 21.631 ======================= Grid point 138 (30/56) ======================= q-point: ( 0.33 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.349 8.253 12.724) 15.532 1.954 ( 8.030 6.544 16.114) 19.156 2.253 ( -7.738 -7.543 10.364) 14.972 2.407 ( -7.605 -2.205 13.950) 16.041 2.540 ( -4.134 -4.355 11.965) 13.387 2.720 ( 3.804 -6.382 8.820) 11.532 2.828 ( 1.179 -4.659 4.814) 6.802 3.099 ( -6.242 -3.608 5.040) 8.797 3.134 ( 2.208 -0.008 10.231) 10.466 3.402 ( 5.090 0.959 11.149) 12.293 3.486 ( 7.146 6.480 19.759) 21.987 3.608 ( -5.288 7.168 8.534) 12.336 3.761 ( -0.508 0.369 15.623) 15.635 3.940 ( -1.552 2.413 10.591) 10.973 3.995 ( 0.762 6.198 3.649) 7.233 4.042 ( 1.401 -3.839 14.074) 14.656 4.171 ( 1.168 -2.816 10.729) 11.154 4.353 ( -2.057 -0.068 -1.294) 2.431 4.399 ( 1.298 -2.576 -3.000) 4.162 4.519 ( 0.336 -0.608 -3.753) 3.817 4.555 ( -0.850 -2.292 0.414) 2.480 4.593 ( 0.116 -0.417 -0.802) 0.911 4.762 ( -0.564 0.764 -2.924) 3.075 4.852 ( 0.365 0.217 -4.159) 4.181 4.933 ( -0.906 0.944 -4.060) 4.266 4.999 ( 0.616 1.137 0.192) 1.307 5.204 ( 0.203 -0.527 3.349) 3.396 17.736 ( -0.193 1.703 -3.139) 3.577 17.921 ( 2.173 1.597 -9.751) 10.117 19.219 ( 0.391 1.011 7.769) 7.844 19.291 ( 2.508 2.123 6.882) 7.626 19.568 ( -5.274 -6.873 4.388) 9.711 20.031 ( 1.212 2.121 0.887) 2.599 20.526 ( -1.324 -0.091 -9.512) 9.604 20.770 ( 2.448 0.432 -21.044) 21.190 21.153 ( -4.404 -5.747 -12.870) 14.767 22.914 ( 0.052 0.549 -0.093) 0.560 22.966 ( 0.548 2.358 -2.190) 3.264 23.085 ( 1.856 1.271 -5.121) 5.593 24.213 ( -1.251 -4.557 -7.218) 8.627 24.246 ( -1.672 -2.266 13.774) 14.059 24.575 ( 0.217 0.915 -7.879) 7.935 24.743 ( -1.161 0.307 -10.194) 10.264 24.867 ( -0.174 -0.355 6.396) 6.408 25.284 ( 0.539 -0.135 0.719) 0.908 25.695 ( 1.791 2.586 -12.647) 13.033 25.758 ( -0.130 0.086 -14.939) 14.940 26.193 ( -1.093 -3.796 -2.870) 4.883 26.394 ( -0.556 1.298 -4.480) 4.698 26.410 ( 1.936 3.574 -5.730) 7.025 26.956 ( -1.641 -1.522 -1.568) 2.733 27.215 ( 0.056 -0.348 -5.219) 5.230 27.355 ( -0.392 -3.369 -6.227) 7.091 27.969 ( 1.553 5.478 12.678) 13.898 28.281 ( -0.591 -3.234 7.808) 8.472 28.617 ( -0.220 -1.119 16.546) 16.586 29.045 ( -1.137 -2.484 9.952) 10.320 29.336 ( 0.537 1.186 -3.241) 3.492 29.462 ( 0.158 0.967 -1.989) 2.217 29.962 ( -0.424 2.322 6.854) 7.249 30.705 ( 1.194 -0.642 -16.671) 16.726 31.114 ( 4.118 7.953 -23.550) 25.196 31.358 ( -1.987 -3.822 -22.427) 22.837 ======================= Grid point 139 (31/56) ======================= q-point: (-0.50 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -9.168 0.826 13.605) 16.426 1.983 ( -9.965 -3.608 14.935) 18.313 2.241 ( 10.927 3.419 11.934) 16.538 2.448 ( 6.388 9.128 12.239) 16.551 2.498 ( 4.736 -2.918 12.078) 13.297 2.747 ( 8.702 -9.085 8.532) 15.200 2.863 ( 2.471 -1.817 5.123) 5.970 2.965 ( -3.787 3.451 6.663) 8.405 3.196 ( 3.012 0.483 10.721) 11.146 3.424 ( -4.214 -1.197 13.868) 14.543 3.495 ( -2.887 -8.162 13.990) 16.452 3.641 ( -4.073 9.499 8.228) 13.211 3.734 ( -1.628 1.520 16.058) 16.211 3.885 ( -6.238 1.413 7.673) 9.989 4.028 ( 3.506 2.103 13.956) 14.543 4.076 ( -3.090 -0.234 6.596) 7.288 4.130 ( 1.669 -4.056 12.329) 13.086 4.349 ( 0.234 1.397 -2.392) 2.780 4.424 ( 3.224 -2.370 -2.455) 4.694 4.518 ( 1.407 -0.932 -2.887) 3.344 4.554 ( 1.768 -0.498 -1.062) 2.122 4.586 ( -0.579 0.346 -0.554) 0.873 4.770 ( 0.597 0.427 -1.866) 2.005 4.843 ( -1.290 0.279 -5.121) 5.288 4.940 ( 0.158 1.020 -3.822) 3.959 4.993 ( -1.721 0.127 0.498) 1.796 5.205 ( 0.413 -0.464 3.226) 3.285 17.735 ( -1.388 1.021 -3.138) 3.580 17.921 ( -2.458 -1.086 -9.754) 10.117 19.218 ( -1.120 0.178 7.730) 7.813 19.292 ( -3.036 -1.148 6.952) 7.672 19.567 ( 8.563 1.164 4.359) 9.679 20.030 ( -2.474 0.025 0.884) 2.627 20.528 ( 0.847 1.068 -9.580) 9.676 20.769 ( -1.643 -1.901 -20.929) 21.079 21.153 ( 7.168 0.949 -12.918) 14.804 22.908 ( -1.120 0.400 -0.283) 1.223 22.975 ( -1.440 0.506 -1.908) 2.443 23.081 ( -2.297 -0.941 -5.203) 5.765 24.207 ( 3.893 -0.856 -5.477) 6.774 24.252 ( 3.508 -0.035 12.142) 12.639 24.578 ( -0.663 0.149 -8.034) 8.063 24.742 ( 0.206 1.250 -10.242) 10.320 24.864 ( 0.154 0.042 6.415) 6.417 25.284 ( -0.114 -0.547 0.775) 0.955 25.699 ( -3.026 -0.409 -12.773) 13.133 25.755 ( -0.093 0.300 -14.745) 14.749 26.195 ( 3.968 -1.010 -2.911) 5.024 26.392 ( -1.150 1.178 -5.005) 5.269 26.411 ( -3.882 0.115 -5.203) 6.492 26.956 ( 2.154 0.657 -1.585) 2.754 27.215 ( 0.248 -0.218 -5.126) 5.136 27.355 ( 3.143 -1.352 -6.345) 7.209 27.969 ( -5.542 1.402 12.747) 13.971 28.281 ( 3.114 -1.113 7.744) 8.420 28.617 ( 1.132 -0.391 16.551) 16.595 29.045 ( 2.774 -0.272 9.901) 10.286 29.335 ( -1.378 0.151 -2.972) 3.279 29.460 ( -1.054 0.407 -2.178) 2.454 29.963 ( -1.690 1.485 6.884) 7.242 30.706 ( 0.042 -1.388 -16.767) 16.824 31.112 ( -9.035 0.466 -23.445) 25.130 31.359 ( 4.310 -0.214 -22.478) 22.889 ======================= Grid point 144 (32/56) ======================= q-point: ( 0.33 0.33 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 0.000 0.000 12.403) 12.403 2.073 ( -0.000 -0.000 11.827) 11.827 2.079 ( 0.000 0.000 10.431) 10.431 2.452 ( 0.000 -0.000 13.664) 13.664 2.481 ( -0.000 0.000 13.252) 13.252 2.522 ( 0.000 -0.000 12.415) 12.415 2.876 ( -0.000 0.000 3.132) 3.132 3.035 ( 0.000 -0.000 9.847) 9.847 3.135 ( -0.000 0.000 1.880) 1.880 3.352 ( 0.000 -0.000 11.021) 11.021 3.593 ( -0.000 -0.000 16.158) 16.158 3.736 ( -0.000 -0.000 18.298) 18.298 3.807 ( -0.000 0.000 16.734) 16.734 3.910 ( 0.000 -0.000 15.547) 15.547 3.984 ( 0.000 -0.000 9.276) 9.276 3.997 ( -0.000 -0.000 14.729) 14.729 4.264 ( -0.000 -0.000 1.899) 1.899 4.299 ( 0.000 0.000 -7.434) 7.434 4.362 ( -0.000 -0.000 -2.918) 2.918 4.481 ( -0.000 -0.000 -3.155) 3.155 4.532 ( -0.000 -0.000 -1.622) 1.622 4.612 ( -0.000 -0.000 0.575) 0.575 4.760 ( -0.000 -0.000 -0.704) 0.704 4.873 ( -0.000 -0.000 -8.258) 8.258 4.931 ( -0.000 -0.000 -1.971) 1.971 5.017 ( -0.000 -0.000 0.328) 0.328 5.196 ( 0.000 -0.000 3.523) 3.523 17.757 ( -0.000 -0.000 -3.708) 3.708 17.935 ( -0.000 -0.000 -10.326) 10.326 19.233 ( -0.000 -0.000 9.201) 9.201 19.313 ( -0.000 -0.000 6.562) 6.562 19.493 ( 0.000 0.000 5.174) 5.174 20.054 ( -0.000 -0.000 0.416) 0.416 20.530 ( -0.000 -0.000 -8.161) 8.161 20.768 ( -0.000 -0.000 -21.208) 21.208 21.093 ( -0.000 -0.000 -13.379) 13.379 22.920 ( -0.000 -0.000 0.237) 0.237 22.995 ( -0.000 -0.000 -3.207) 3.207 23.096 ( -0.000 -0.000 -4.850) 4.850 24.158 ( -0.000 -0.000 -9.251) 9.251 24.224 ( -0.000 -0.000 15.812) 15.812 24.585 ( -0.000 -0.000 -8.031) 8.031 24.750 ( -0.000 -0.000 -11.464) 11.464 24.864 ( -0.000 -0.000 8.072) 8.072 25.280 ( -0.000 -0.000 0.839) 0.839 25.726 ( -0.000 -0.000 -13.671) 13.671 25.760 ( -0.000 -0.000 -14.879) 14.879 26.148 ( -0.000 -0.000 -1.969) 1.969 26.408 ( -0.000 -0.000 -4.765) 4.765 26.450 ( -0.000 -0.000 -6.474) 6.474 26.941 ( -0.000 -0.000 -0.982) 0.982 27.221 ( -0.000 -0.000 -6.794) 6.794 27.306 ( -0.000 -0.000 -5.771) 5.771 28.036 ( -0.000 -0.000 16.430) 16.430 28.239 ( -0.000 -0.000 4.640) 4.640 28.603 ( -0.000 -0.000 16.273) 16.273 29.019 ( -0.000 -0.000 11.924) 11.924 29.348 ( -0.000 -0.000 -5.666) 5.666 29.473 ( -0.000 -0.000 -1.517) 1.517 29.991 ( -0.000 -0.000 8.294) 8.294 30.694 ( -0.000 -0.000 -17.729) 17.729 31.255 ( 0.000 -0.000 -15.167) 15.167 31.260 ( -0.000 0.000 -30.766) 30.766 ======================= Grid point 172 (33/56) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.000 0.000 22.992) 22.992 2.156 ( 0.000 0.000 22.992) 22.992 2.619 ( 0.000 0.000 8.068) 8.068 2.957 ( 0.000 0.000 4.693) 4.693 2.957 ( 0.000 -0.000 4.693) 4.693 3.178 ( 0.000 0.000 3.704) 3.704 3.178 ( 0.000 0.000 3.704) 3.704 3.195 ( 0.000 -0.000 3.481) 3.481 3.392 ( 0.000 0.000 -1.730) 1.730 3.392 ( 0.000 -0.000 -1.730) 1.730 3.413 ( -0.000 0.000 7.800) 7.800 3.683 ( 0.000 0.000 29.503) 29.503 3.732 ( 0.000 0.000 5.420) 5.420 3.732 ( 0.000 0.000 5.420) 5.420 3.911 ( 0.000 0.000 5.956) 5.956 4.308 ( 0.000 0.000 -0.701) 0.701 4.308 ( -0.000 0.000 -0.701) 0.701 4.355 ( 0.000 0.000 -4.146) 4.146 4.495 ( 0.000 0.000 10.038) 10.038 4.495 ( -0.000 0.000 10.038) 10.038 4.682 ( 0.000 0.000 -8.703) 8.703 4.682 ( 0.000 -0.000 -8.703) 8.703 4.796 ( 0.000 0.000 4.080) 4.080 4.891 ( 0.000 0.000 7.362) 7.362 4.891 ( 0.000 0.000 7.362) 7.362 4.998 ( 0.000 0.000 7.653) 7.653 5.274 ( 0.000 -0.000 1.835) 1.835 17.657 ( 0.000 0.000 -1.044) 1.044 17.657 ( 0.000 0.000 -1.044) 1.044 19.270 ( 0.000 0.000 5.049) 5.049 19.270 ( -0.000 0.000 5.049) 5.049 19.748 ( 0.000 0.000 -17.096) 17.096 19.914 ( 0.000 -0.000 -0.027) 0.027 20.397 ( 0.000 0.000 -10.377) 10.377 20.397 ( 0.000 0.000 -10.377) 10.377 21.393 ( 0.000 0.000 -16.015) 16.015 22.839 ( 0.000 0.000 -1.642) 1.642 22.839 ( 0.000 0.000 -1.642) 1.642 22.941 ( -0.000 0.000 8.172) 8.172 24.204 ( 0.000 0.000 -7.961) 7.961 24.505 ( 0.000 0.000 -6.065) 6.065 24.505 ( 0.000 0.000 -6.065) 6.065 25.002 ( 0.000 0.000 5.509) 5.509 25.002 ( 0.000 0.000 5.509) 5.509 25.060 ( -0.000 0.000 -0.675) 0.675 25.501 ( 0.000 0.000 -9.523) 9.523 25.501 ( -0.000 0.000 -9.523) 9.523 25.839 ( 0.000 0.000 -1.686) 1.686 26.343 ( 0.000 0.000 -2.764) 2.764 26.343 ( -0.000 0.000 -2.764) 2.764 27.080 ( 0.000 0.000 -8.962) 8.962 27.360 ( 0.000 0.000 -1.599) 1.599 27.360 ( 0.000 0.000 -1.599) 1.599 27.563 ( -0.000 0.000 5.094) 5.094 28.916 ( 0.000 0.000 11.690) 11.690 28.916 ( 0.000 0.000 11.690) 11.690 29.062 ( 0.000 0.000 -11.753) 11.753 29.420 ( 0.000 0.000 4.233) 4.233 29.420 ( 0.000 0.000 4.233) 4.233 29.672 ( -0.000 0.000 -6.059) 6.059 30.354 ( 0.000 0.000 -11.699) 11.699 30.354 ( 0.000 0.000 -11.699) 11.699 31.087 ( 0.000 0.000 -17.072) 17.072 ======================= Grid point 173 (34/56) ======================= q-point: ( 0.17 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -2.745 -1.538 20.343) 20.585 2.178 ( 1.797 1.014 21.656) 21.754 2.616 ( -0.278 -0.205 10.092) 10.098 2.871 ( -6.568 -1.605 7.013) 9.742 2.916 ( -1.219 -3.861 5.648) 6.949 3.089 ( -12.717 -9.280 1.857) 15.853 3.175 ( -4.577 1.302 2.768) 5.505 3.201 ( -2.024 2.402 4.223) 5.263 3.326 ( 7.318 -4.598 2.248) 8.930 3.371 ( 2.031 5.234 1.372) 5.779 3.506 ( 4.683 2.516 5.481) 7.635 3.690 ( 1.288 1.368 19.938) 20.026 3.787 ( 3.208 -0.294 5.190) 6.108 3.847 ( 4.507 5.260 13.705) 15.356 3.985 ( 6.761 3.128 2.696) 7.922 4.300 ( 0.146 -0.770 -0.758) 1.090 4.317 ( 0.605 1.148 -0.881) 1.568 4.375 ( 1.264 0.807 -2.215) 2.675 4.467 ( -2.290 -1.023 8.606) 8.964 4.509 ( 1.097 0.215 7.823) 7.902 4.647 ( -2.622 -1.096 -5.388) 6.092 4.684 ( 0.264 -0.157 -6.555) 6.562 4.765 ( -3.701 -2.209 5.062) 6.648 4.844 ( -2.576 -1.287 3.975) 4.909 4.890 ( -0.042 -0.193 5.755) 5.759 5.035 ( 2.291 1.361 8.015) 8.446 5.274 ( 0.028 0.013 2.206) 2.206 17.662 ( 0.346 0.203 -1.257) 1.319 17.686 ( 2.331 1.342 -2.287) 3.531 19.284 ( 1.072 0.669 4.775) 4.940 19.293 ( 2.016 1.111 4.920) 5.432 19.730 ( -1.824 -1.049 -14.241) 14.395 19.939 ( 2.245 1.298 0.832) 2.723 20.379 ( -1.406 -0.766 -9.781) 9.911 20.397 ( 0.169 0.048 -10.834) 10.835 21.281 ( -8.982 -5.185 -14.121) 17.521 22.844 ( 0.911 0.566 -1.395) 1.760 22.859 ( 1.833 1.016 -1.400) 2.520 22.974 ( 1.980 1.145 5.712) 6.153 24.204 ( -0.596 -0.309 -8.820) 8.846 24.427 ( -5.108 -3.127 -5.532) 8.153 24.490 ( -1.255 -0.578 -5.735) 5.900 24.855 ( -7.770 -4.609 4.041) 9.897 24.999 ( -0.321 0.031 5.882) 5.891 25.190 ( 6.264 3.529 0.831) 7.238 25.445 ( -2.080 -1.263 -7.715) 8.090 25.503 ( 0.196 0.168 -9.465) 9.469 25.979 ( 8.814 5.082 -5.134) 11.396 26.310 ( -2.652 -1.518 -2.890) 4.206 26.335 ( -0.698 -0.412 -2.853) 2.966 27.023 ( -4.015 -2.318 -6.111) 7.671 27.261 ( -5.432 -3.135 -2.215) 6.651 27.335 ( -2.023 -1.168 -3.323) 4.062 27.747 ( 11.832 6.829 4.471) 14.374 28.707 ( -10.084 -5.801 6.703) 13.426 28.919 ( 0.243 0.100 11.848) 11.851 29.210 ( 3.049 1.747 -4.096) 5.396 29.348 ( -1.959 -1.102 3.087) 3.818 29.413 ( -0.489 -0.245 4.219) 4.255 29.800 ( 8.310 4.748 -5.329) 10.954 30.368 ( 1.257 0.839 -13.469) 13.554 30.405 ( 4.265 2.366 -12.598) 13.509 31.074 ( -1.175 -0.679 -16.908) 16.963 ======================= Grid point 174 (35/56) ======================= q-point: ( 0.33 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 1.329 1.215 15.557) 15.661 2.229 ( 2.589 1.306 17.566) 17.803 2.581 ( -4.089 -3.574 11.702) 12.901 2.723 ( -8.675 -3.921 8.973) 13.083 2.794 ( -4.898 -2.054 9.226) 10.646 2.892 ( -0.467 -4.040 4.649) 6.176 3.074 ( -4.979 -2.609 3.897) 6.839 3.189 ( -4.573 6.926 4.968) 9.673 3.355 ( 3.626 -4.483 5.047) 7.663 3.475 ( 4.502 -0.160 3.571) 5.748 3.667 ( 3.907 4.287 2.627) 6.368 3.755 ( 4.387 2.486 10.469) 11.621 3.811 ( 1.996 0.141 4.016) 4.487 3.972 ( 5.255 6.339 15.061) 17.165 4.137 ( 6.142 1.824 2.959) 7.057 4.273 ( -2.233 -3.416 5.003) 6.456 4.318 ( -1.055 0.818 -0.363) 1.383 4.405 ( -1.528 -0.984 3.295) 3.763 4.447 ( 2.016 1.934 1.887) 3.372 4.519 ( 0.019 0.103 -0.481) 0.493 4.592 ( -3.487 -1.028 1.573) 3.961 4.647 ( -2.461 -2.933 3.988) 5.528 4.693 ( -0.146 -0.053 -0.746) 0.762 4.795 ( -2.424 -0.762 -0.095) 2.543 4.885 ( -0.117 -0.632 3.952) 4.004 5.082 ( 1.536 1.097 7.570) 7.802 5.274 ( -0.035 -0.053 2.670) 2.671 17.670 ( 0.328 0.200 -1.682) 1.725 17.745 ( 2.383 1.364 -4.863) 5.584 19.310 ( 0.924 0.689 3.990) 4.153 19.353 ( 3.114 1.591 3.863) 5.211 19.666 ( -3.429 -1.927 -4.842) 6.238 20.000 ( 2.449 1.446 0.372) 2.868 20.348 ( -1.121 -0.496 -8.397) 8.486 20.418 ( 2.080 0.997 -12.519) 12.730 21.047 ( -10.127 -5.829 -11.338) 16.281 22.881 ( 1.898 1.247 -1.360) 2.647 22.915 ( 2.823 1.451 -1.490) 3.506 23.000 ( 0.144 0.112 2.243) 2.251 24.133 ( -5.190 -2.759 -9.402) 11.088 24.365 ( 0.428 -0.645 -4.412) 4.480 24.459 ( -1.583 -0.274 -5.420) 5.653 24.695 ( -5.424 -3.334 3.216) 7.133 24.991 ( -0.623 0.152 6.200) 6.233 25.302 ( 3.343 1.629 2.225) 4.333 25.446 ( 1.803 0.888 -8.491) 8.726 25.509 ( 0.147 0.263 -9.322) 9.327 26.138 ( 3.724 1.916 -6.418) 7.663 26.252 ( -1.277 -0.334 -4.547) 4.735 26.314 ( -0.919 -0.727 -3.204) 3.412 26.940 ( -2.824 -1.619 -3.066) 4.471 27.156 ( -3.452 -2.021 -3.851) 5.553 27.281 ( -2.296 -1.293 -5.370) 5.982 28.007 ( 9.930 5.708 5.157) 12.561 28.526 ( -5.922 -3.338 8.119) 10.589 28.918 ( -0.385 -0.412 11.875) 11.888 29.161 ( -3.053 -1.687 -0.168) 3.493 29.367 ( 0.215 -0.054 3.401) 3.408 29.421 ( 1.308 1.119 1.546) 2.314 29.954 ( 4.431 2.298 -2.928) 5.787 30.408 ( 1.614 1.243 -14.380) 14.524 30.530 ( 6.199 3.395 -18.243) 19.564 31.033 ( -2.347 -1.356 -16.137) 16.363 ======================= Grid point 175 (36/56) ======================= q-point: (-0.50 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.000 0.000 13.188) 13.188 2.275 ( 0.000 0.000 10.435) 10.435 2.446 ( 0.000 0.000 14.294) 14.294 2.643 ( 0.000 0.000 13.464) 13.464 2.759 ( 0.000 0.000 11.073) 11.073 2.875 ( 0.000 -0.000 4.324) 4.324 3.007 ( 0.000 0.000 6.182) 6.182 3.184 ( 0.000 0.000 5.308) 5.308 3.362 ( 0.000 0.000 6.591) 6.591 3.520 ( 0.000 -0.000 3.299) 3.299 3.698 ( 0.000 -0.000 -0.494) 0.494 3.776 ( -0.000 0.000 7.407) 7.407 3.892 ( 0.000 0.000 7.687) 7.687 4.124 ( 0.000 0.000 5.137) 5.137 4.173 ( -0.000 -0.000 16.215) 16.215 4.214 ( 0.000 0.000 -0.610) 0.610 4.306 ( -0.000 0.000 1.440) 1.440 4.350 ( 0.000 -0.000 4.761) 4.761 4.479 ( 0.000 -0.000 3.906) 3.906 4.521 ( -0.000 0.000 -1.024) 1.024 4.542 ( 0.000 -0.000 -1.970) 1.970 4.638 ( 0.000 -0.000 5.786) 5.786 4.692 ( -0.000 0.000 0.489) 0.489 4.760 ( -0.000 -0.000 -2.634) 2.634 4.879 ( 0.000 0.000 3.337) 3.337 5.102 ( 0.000 0.000 7.345) 7.345 5.273 ( 0.000 0.000 2.768) 2.768 17.674 ( 0.000 0.000 -1.894) 1.894 17.775 ( 0.000 0.000 -6.209) 6.209 19.322 ( 0.000 0.000 3.477) 3.477 19.400 ( 0.000 0.000 1.671) 1.671 19.614 ( 0.000 -0.000 2.240) 2.240 20.029 ( 0.000 0.000 -0.658) 0.658 20.336 ( 0.000 0.000 -7.521) 7.521 20.459 ( 0.000 0.000 -13.720) 13.720 20.908 ( 0.000 0.000 -9.978) 9.978 22.910 ( 0.000 0.000 -0.736) 0.736 22.955 ( 0.000 0.000 -0.026) 0.026 22.994 ( 0.000 0.000 -1.559) 1.559 24.061 ( 0.000 0.000 -8.829) 8.829 24.374 ( 0.000 0.000 -3.002) 3.002 24.443 ( 0.000 0.000 -6.642) 6.642 24.629 ( 0.000 0.000 2.586) 2.586 24.986 ( 0.000 0.000 6.268) 6.268 25.336 ( 0.000 0.000 3.264) 3.264 25.479 ( 0.000 0.000 -10.341) 10.341 25.510 ( -0.000 0.000 -8.402) 8.402 26.150 ( 0.000 0.000 -3.256) 3.256 26.267 ( 0.000 0.000 -8.329) 8.329 26.297 ( 0.000 0.000 -3.635) 3.635 26.906 ( 0.000 0.000 -1.936) 1.936 27.116 ( 0.000 0.000 -4.996) 4.996 27.252 ( 0.000 0.000 -5.807) 5.807 28.137 ( 0.000 0.000 5.909) 5.909 28.450 ( 0.000 -0.000 8.366) 8.366 28.908 ( 0.000 0.000 11.373) 11.373 29.129 ( 0.000 0.000 1.100) 1.100 29.362 ( 0.000 0.000 4.187) 4.187 29.442 ( 0.000 0.000 0.346) 0.346 29.999 ( 0.000 0.000 -1.737) 1.737 30.429 ( 0.000 0.000 -13.483) 13.483 30.618 ( 0.000 -0.000 -22.549) 22.549 30.995 ( 0.000 0.000 -14.947) 14.947 ======================= Grid point 180 (37/56) ======================= q-point: ( 0.17 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.427 0.215 16.813) 16.820 2.216 ( 1.438 2.700 19.214) 19.456 2.594 ( -2.173 -2.732 11.020) 11.560 2.796 ( -0.652 -5.332 9.365) 10.796 2.847 ( -5.707 -7.113 6.307) 11.088 2.924 ( -6.783 -2.757 3.871) 8.282 3.027 ( -2.053 -7.958 6.034) 10.196 3.168 ( 4.074 -6.617 3.044) 8.345 3.364 ( -4.775 2.316 4.540) 6.984 3.540 ( -2.551 8.996 5.281) 10.739 3.576 ( 11.970 6.832 -0.060) 13.782 3.726 ( 1.005 2.405 10.579) 10.895 3.805 ( 0.649 2.998 12.658) 13.024 3.979 ( 8.219 4.537 11.063) 14.509 4.068 ( -0.154 6.507 1.690) 6.724 4.280 ( -2.118 -1.063 0.063) 2.371 4.343 ( 0.207 -0.819 2.238) 2.392 4.398 ( 1.750 0.961 0.955) 2.213 4.433 ( -0.275 -0.443 3.882) 3.917 4.522 ( -0.596 0.163 5.326) 5.362 4.590 ( -1.210 -3.682 -1.985) 4.354 4.683 ( -1.963 -2.452 -0.918) 3.273 4.709 ( -1.186 -1.111 1.751) 2.389 4.776 ( -1.440 -3.665 2.618) 4.728 4.908 ( 0.177 0.949 3.110) 3.256 5.070 ( 1.246 1.831 7.864) 8.170 5.274 ( -0.099 -0.131 2.582) 2.587 17.672 ( 0.403 0.679 -1.679) 1.855 17.727 ( 1.393 2.433 -4.096) 4.963 19.305 ( 0.881 1.258 4.012) 4.296 19.335 ( 1.523 2.963 4.671) 5.737 19.685 ( -1.937 -3.415 -7.776) 8.711 19.985 ( 1.695 2.898 0.657) 3.420 20.359 ( -0.374 -0.944 -8.961) 9.019 20.403 ( 0.295 0.869 -11.808) 11.843 21.111 ( -6.184 -10.727 -11.985) 17.232 22.873 ( 1.403 2.130 -2.060) 3.279 22.896 ( 1.378 2.714 -0.904) 3.175 22.998 ( 0.400 0.662 3.230) 3.321 24.154 ( -3.034 -5.607 -9.385) 11.345 24.377 ( -0.753 0.035 -5.127) 5.182 24.466 ( -0.483 -1.819 -4.783) 5.140 24.727 ( -4.151 -6.823 3.130) 8.578 25.004 ( 0.622 0.194 6.501) 6.533 25.275 ( 1.975 3.918 1.572) 4.661 25.436 ( 0.412 0.983 -8.113) 8.182 25.507 ( 0.296 0.233 -9.335) 9.343 26.110 ( 3.351 6.011 -6.863) 9.719 26.255 ( -1.541 -2.984 -3.556) 4.891 26.328 ( -0.272 -0.326 -3.139) 3.168 26.961 ( -1.834 -3.191 -3.792) 5.284 27.178 ( -2.640 -4.536 -3.323) 6.211 27.288 ( -1.826 -3.205 -4.980) 6.198 27.950 ( 6.889 11.962 4.858) 14.634 28.563 ( -4.183 -7.363 7.941) 11.609 28.913 ( -0.728 -1.000 11.465) 11.532 29.193 ( -1.339 -2.362 -0.075) 2.716 29.358 ( 0.161 0.444 2.873) 2.911 29.412 ( 0.833 0.953 2.115) 2.465 29.933 ( 3.834 7.035 -3.630) 8.796 30.380 ( 0.492 0.399 -14.862) 14.875 30.504 ( 3.859 6.947 -16.140) 17.991 31.046 ( -1.281 -2.217 -16.430) 16.628 ======================= Grid point 181 (38/56) ======================= q-point: ( 0.33 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 2.549 5.125 12.482) 13.732 2.267 ( 1.512 2.329 14.640) 14.901 2.453 ( -5.625 -7.876 9.755) 13.742 2.678 ( -4.081 -0.105 12.167) 12.834 2.774 ( -2.007 -2.558 11.258) 11.718 2.877 ( 3.843 -0.733 7.412) 8.381 2.928 ( -1.059 -5.809 6.048) 8.452 3.172 ( -2.165 -2.340 3.695) 4.881 3.303 ( 3.536 -5.744 5.791) 8.890 3.575 ( -0.864 3.948 6.843) 7.947 3.706 ( -3.487 7.137 2.548) 8.342 3.851 ( 3.791 3.809 9.843) 11.214 3.891 ( 3.919 7.562 -0.260) 8.521 4.111 ( 1.311 4.526 9.866) 10.933 4.145 ( 3.746 -0.259 2.630) 4.584 4.216 ( -1.854 -1.492 5.795) 6.265 4.311 ( -0.577 -2.297 1.938) 3.061 4.358 ( -3.504 -1.246 4.185) 5.599 4.450 ( 0.594 -3.486 3.383) 4.894 4.500 ( 0.637 -3.338 4.455) 5.603 4.573 ( 0.222 0.135 3.825) 3.834 4.605 ( -1.428 0.532 -1.138) 1.902 4.711 ( 1.010 -1.758 -6.990) 7.278 4.741 ( -0.861 -0.116 4.952) 5.028 4.910 ( -1.048 1.604 2.387) 3.061 5.102 ( 0.583 0.907 7.425) 7.503 5.269 ( 0.029 -0.430 2.729) 2.763 17.683 ( -0.131 0.937 -2.158) 2.357 17.766 ( 1.047 0.620 -5.919) 6.042 19.327 ( 0.196 0.892 2.811) 2.956 19.392 ( 1.643 2.131 3.519) 4.430 19.615 ( -1.684 -2.943 0.852) 3.496 20.030 ( 0.704 1.230 -0.558) 1.523 20.350 ( -0.750 0.819 -7.877) 7.955 20.433 ( 2.116 0.264 -13.186) 13.357 20.924 ( -4.245 -5.440 -10.190) 12.307 22.917 ( 0.712 2.070 -1.476) 2.640 22.948 ( 1.476 1.751 0.073) 2.291 22.994 ( -0.464 -0.916 -0.851) 1.333 24.042 ( -1.647 -5.142 -8.703) 10.242 24.391 ( -0.170 2.561 -4.108) 4.844 24.445 ( -0.299 -1.085 -4.409) 4.551 24.625 ( -1.516 -2.951 1.144) 3.510 25.011 ( -0.844 1.445 7.029) 7.226 25.320 ( 1.189 0.182 2.807) 3.054 25.467 ( 1.143 0.754 -10.214) 10.305 25.517 ( 0.110 0.736 -8.502) 8.535 26.134 ( -0.420 -2.221 -3.106) 3.841 26.265 ( 1.468 1.900 -8.508) 8.841 26.317 ( -1.061 0.604 -3.698) 3.894 26.916 ( -1.053 -0.595 -2.175) 2.489 27.109 ( -0.861 -2.312 -5.160) 5.720 27.233 ( -0.372 -3.028 -5.481) 6.273 28.155 ( 3.571 8.492 5.623) 10.792 28.442 ( -2.292 -5.110 8.887) 10.504 28.883 ( 0.030 -2.505 9.948) 10.259 29.170 ( -1.526 2.317 3.394) 4.383 29.343 ( 0.199 -2.041 3.796) 4.315 29.442 ( 0.617 0.663 -0.151) 0.918 30.028 ( 0.302 4.636 -1.443) 4.865 30.388 ( 1.608 -2.516 -14.935) 15.231 30.633 ( 2.283 5.647 -21.570) 22.413 30.996 ( -1.301 -2.209 -14.921) 15.140 ======================= Grid point 182 (39/56) ======================= q-point: (-0.50 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -5.755 0.617 13.047) 14.273 2.271 ( -2.764 -0.266 13.611) 13.891 2.468 ( 10.420 0.446 10.562) 14.843 2.686 ( 1.995 5.531 11.330) 12.765 2.742 ( 1.555 -1.674 11.632) 11.854 2.881 ( 3.572 -5.073 6.066) 8.677 2.983 ( 4.942 -0.291 6.809) 8.418 3.080 ( -2.839 0.195 5.884) 6.536 3.351 ( 5.867 -5.076 4.530) 8.984 3.592 ( -0.199 0.904 7.205) 7.264 3.693 ( -6.811 7.524 0.973) 10.195 3.833 ( -5.402 -0.056 7.540) 9.276 3.927 ( -9.279 0.202 3.108) 9.788 4.039 ( -3.609 -1.116 7.139) 8.077 4.189 ( -1.588 -1.054 5.509) 5.830 4.237 ( 2.322 0.926 5.481) 6.024 4.290 ( 2.096 -0.974 2.108) 3.128 4.385 ( 2.723 2.732 5.135) 6.423 4.436 ( 4.132 -2.967 5.014) 7.143 4.475 ( -0.252 -1.484 1.108) 1.869 4.586 ( -0.076 0.151 1.933) 1.940 4.613 ( 1.451 0.464 1.681) 2.268 4.706 ( 1.312 -1.561 -5.220) 5.604 4.741 ( -0.038 0.687 2.834) 2.917 4.913 ( -0.574 1.582 2.443) 2.966 5.100 ( -1.237 0.003 7.468) 7.569 5.270 ( 0.383 -0.251 2.740) 2.778 17.683 ( -0.753 0.584 -2.157) 2.358 17.766 ( -1.052 -0.598 -5.920) 6.043 19.326 ( -0.984 0.305 2.823) 3.005 19.395 ( -2.524 -0.415 3.496) 4.332 19.614 ( 3.359 0.017 0.881) 3.473 20.029 ( -1.444 0.018 -0.549) 1.545 20.349 ( -0.447 1.048 -8.061) 8.141 20.435 ( -1.133 -1.716 -13.057) 13.218 20.924 ( 6.822 0.969 -10.159) 12.276 22.915 ( -2.236 0.422 -0.640) 2.364 22.951 ( -2.236 -0.443 -1.425) 2.689 22.992 ( 1.093 -0.019 -0.185) 1.109 24.041 ( 5.141 -1.092 -8.659) 10.129 24.404 ( -1.809 1.496 -4.171) 4.787 24.433 ( 0.914 -0.416 -4.482) 4.593 24.626 ( 3.434 -0.196 1.199) 3.643 25.007 ( -1.171 1.555 6.995) 7.261 25.323 ( -0.528 -1.003 3.054) 3.258 25.468 ( -1.118 -0.650 -10.497) 10.576 25.516 ( -0.829 0.324 -8.404) 8.451 26.137 ( 2.395 -0.853 -3.026) 3.952 26.261 ( -2.699 -0.034 -8.360) 8.785 26.319 ( 0.087 1.030 -3.915) 4.049 26.916 ( 1.033 0.618 -2.161) 2.474 27.110 ( 2.454 -0.417 -5.226) 5.789 27.232 ( 2.783 -1.183 -5.428) 6.214 28.156 ( -9.132 1.142 5.615) 10.780 28.441 ( 5.524 -0.543 8.856) 10.452 28.884 ( 2.289 -1.340 10.046) 10.390 29.170 ( -1.302 2.518 3.301) 4.351 29.344 ( 1.772 -1.240 3.757) 4.335 29.439 ( -1.109 -0.113 -0.078) 1.118 30.030 ( -3.981 1.999 -1.327) 4.648 30.386 ( 1.195 -2.595 -15.181) 15.447 30.634 ( -5.946 0.812 -21.429) 22.253 30.996 ( 2.564 0.022 -14.939) 15.158 ======================= Grid point 187 (40/56) ======================= q-point: ( 0.33 0.33 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 0.000 -0.000 9.716) 9.716 2.292 ( -0.000 -0.000 12.005) 12.005 2.304 ( 0.000 0.000 11.130) 11.130 2.726 ( 0.000 -0.000 7.478) 7.478 2.729 ( -0.000 0.000 13.763) 13.763 2.740 ( -0.000 0.000 12.751) 12.751 2.979 ( -0.000 0.000 7.951) 7.951 3.180 ( -0.000 -0.000 5.381) 5.381 3.183 ( 0.000 0.000 2.893) 2.893 3.582 ( -0.000 -0.000 10.845) 10.845 3.829 ( -0.000 -0.000 4.035) 4.035 3.960 ( 0.000 -0.000 -2.613) 2.613 3.988 ( -0.000 0.000 6.821) 6.821 4.020 ( -0.000 -0.000 0.493) 0.493 4.173 ( -0.000 -0.000 -0.375) 0.375 4.247 ( -0.000 -0.000 2.334) 2.334 4.274 ( -0.000 0.000 14.995) 14.995 4.358 ( -0.000 -0.000 10.710) 10.710 4.397 ( 0.000 -0.000 6.262) 6.262 4.430 ( 0.000 0.000 -0.929) 0.929 4.571 ( -0.000 -0.000 7.250) 7.250 4.648 ( 0.000 -0.000 -2.121) 2.121 4.655 ( -0.000 0.000 -7.580) 7.580 4.760 ( 0.000 -0.000 1.651) 1.651 4.925 ( -0.000 -0.000 2.287) 2.287 5.114 ( -0.000 -0.000 7.346) 7.346 5.263 ( -0.000 -0.000 2.673) 2.673 17.695 ( -0.000 -0.000 -2.555) 2.555 17.771 ( -0.000 -0.000 -6.288) 6.288 19.338 ( -0.000 -0.000 1.499) 1.499 19.419 ( -0.000 -0.000 4.206) 4.206 19.578 ( 0.000 -0.000 3.506) 3.506 20.042 ( -0.000 -0.000 -1.138) 1.138 20.367 ( -0.000 -0.000 -7.931) 7.931 20.429 ( 0.000 -0.000 -13.194) 13.194 20.867 ( -0.000 -0.000 -9.626) 9.626 22.947 ( 0.000 0.000 2.482) 2.482 22.970 ( 0.000 -0.000 0.721) 0.721 22.973 ( -0.000 -0.000 -6.253) 6.253 23.984 ( -0.000 -0.000 -8.323) 8.323 24.425 ( -0.000 -0.000 -7.925) 7.925 24.428 ( 0.000 0.000 1.182) 1.182 24.595 ( -0.000 -0.000 -1.036) 1.036 25.030 ( -0.000 -0.000 7.789) 7.789 25.318 ( -0.000 -0.000 3.100) 3.100 25.472 ( 0.000 -0.000 -11.483) 11.483 25.529 ( -0.000 -0.000 -7.966) 7.966 26.103 ( -0.000 -0.000 -2.292) 2.292 26.291 ( 0.000 -0.000 -9.546) 9.546 26.323 ( -0.000 -0.000 -3.963) 3.963 26.913 ( -0.000 -0.000 -1.750) 1.750 27.083 ( -0.000 -0.000 -6.653) 6.653 27.196 ( -0.000 -0.000 -4.783) 4.783 28.294 ( -0.000 -0.000 1.022) 1.022 28.341 ( 0.000 0.000 14.186) 14.186 28.853 ( -0.000 -0.000 8.872) 8.872 29.208 ( -0.000 -0.000 7.169) 7.169 29.312 ( 0.000 -0.000 1.988) 1.988 29.447 ( -0.000 -0.000 -0.896) 0.896 30.087 ( -0.000 -0.000 0.188) 0.188 30.352 ( -0.000 -0.000 -16.478) 16.478 30.699 ( -0.000 -0.000 -23.786) 23.786 30.967 ( -0.000 -0.000 -13.362) 13.362 ======================= Grid point 215 (41/56) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 0.000 0.000 18.595) 18.595 2.571 ( 0.000 0.000 18.595) 18.595 2.785 ( 0.000 0.000 8.850) 8.850 3.046 ( 0.000 0.000 4.007) 4.007 3.046 ( 0.000 -0.000 4.007) 4.007 3.225 ( 0.000 0.000 -0.826) 0.826 3.231 ( 0.000 0.000 1.629) 1.629 3.231 ( -0.000 0.000 1.629) 1.629 3.328 ( 0.000 0.000 -4.490) 4.490 3.328 ( 0.000 0.000 -4.490) 4.490 3.477 ( 0.000 0.000 0.282) 0.282 3.821 ( 0.000 0.000 3.819) 3.819 3.821 ( 0.000 0.000 3.819) 3.819 3.944 ( 0.000 0.000 2.591) 2.591 4.259 ( 0.000 0.000 9.448) 9.448 4.280 ( 0.000 0.000 -1.511) 1.511 4.280 ( 0.000 0.000 -1.511) 1.511 4.323 ( 0.000 0.000 13.641) 13.641 4.481 ( 0.000 0.000 -9.015) 9.015 4.481 ( 0.000 0.000 -9.015) 9.015 4.698 ( 0.000 0.000 7.921) 7.921 4.698 ( 0.000 0.000 7.921) 7.921 4.887 ( 0.000 0.000 4.406) 4.406 5.053 ( 0.000 -0.000 7.612) 7.612 5.053 ( 0.000 0.000 7.612) 7.612 5.100 ( 0.000 -0.000 1.705) 1.705 5.304 ( 0.000 0.000 1.481) 1.481 17.644 ( 0.000 0.000 -0.369) 0.369 17.644 ( 0.000 -0.000 -0.369) 0.369 19.355 ( -0.000 0.000 3.432) 3.432 19.355 ( 0.000 0.000 3.432) 3.432 19.428 ( -0.000 0.000 -13.582) 13.582 19.935 ( 0.000 0.000 1.157) 1.157 20.232 ( -0.000 0.000 -6.182) 6.182 20.232 ( 0.000 0.000 -6.182) 6.182 21.111 ( 0.000 0.000 -11.595) 11.595 22.813 ( 0.000 0.000 -0.877) 0.877 22.813 ( 0.000 0.000 -0.877) 0.877 23.131 ( 0.000 0.000 10.447) 10.447 24.009 ( 0.000 -0.000 -11.066) 11.066 24.381 ( 0.000 0.000 -5.785) 5.785 24.381 ( 0.000 0.000 -5.785) 5.785 25.098 ( 0.000 0.000 3.735) 3.735 25.098 ( 0.000 0.000 3.735) 3.735 25.098 ( 0.000 0.000 4.378) 4.378 25.359 ( 0.000 0.000 -4.836) 4.836 25.359 ( -0.000 0.000 -4.836) 4.836 25.746 ( 0.000 0.000 -7.557) 7.557 26.299 ( -0.000 0.000 -1.661) 1.661 26.299 ( -0.000 0.000 -1.661) 1.661 26.964 ( 0.000 0.000 -2.785) 2.785 27.325 ( 0.000 0.000 -1.741) 1.741 27.325 ( 0.000 0.000 -1.741) 1.741 27.640 ( 0.000 0.000 2.663) 2.663 28.859 ( -0.000 -0.000 -8.246) 8.246 29.106 ( 0.000 0.000 7.543) 7.543 29.106 ( 0.000 0.000 7.543) 7.543 29.467 ( 0.000 0.000 0.588) 0.588 29.467 ( 0.000 0.000 0.588) 0.588 29.562 ( -0.000 0.000 -4.735) 4.735 30.162 ( -0.000 0.000 -7.267) 7.267 30.162 ( 0.000 0.000 -7.267) 7.267 30.809 ( 0.000 0.000 -10.723) 10.723 ======================= Grid point 216 (42/56) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -6.172 -3.561 15.370) 16.941 2.566 ( -0.583 -0.301 17.173) 17.185 2.831 ( 1.914 1.280 11.288) 11.521 2.991 ( -5.391 -1.421 2.434) 6.084 3.006 ( -2.161 -4.564 3.899) 6.380 3.097 ( -8.285 -4.388 0.574) 9.393 3.208 ( -4.153 0.522 1.023) 4.309 3.269 ( -0.044 1.766 2.641) 3.177 3.333 ( 6.289 -3.386 -0.877) 7.197 3.375 ( 5.113 6.167 -0.790) 8.049 3.562 ( 4.311 2.396 0.293) 4.941 3.815 ( -1.773 -0.060 0.646) 1.888 3.888 ( 4.822 1.608 3.458) 6.148 3.986 ( 3.069 2.276 2.410) 4.517 4.243 ( 0.389 -0.226 -3.323) 3.353 4.277 ( -0.328 0.262 -1.765) 1.814 4.317 ( -0.346 -0.209 9.898) 9.906 4.336 ( 3.647 1.991 9.190) 10.085 4.463 ( -1.558 -0.312 -7.188) 7.362 4.481 ( 0.363 -0.409 -6.991) 7.012 4.675 ( -1.875 -0.958 7.462) 7.754 4.728 ( 2.042 1.151 7.803) 8.147 4.877 ( -1.050 -0.721 5.278) 5.429 4.972 ( -4.542 -2.400 6.268) 8.104 5.037 ( -1.186 -0.866 7.356) 7.502 5.154 ( 2.457 1.465 3.129) 4.240 5.312 ( 0.583 0.332 2.030) 2.138 17.644 ( -0.013 -0.005 -0.619) 0.619 17.655 ( 0.857 0.492 -0.979) 1.391 19.335 ( -0.967 -0.538 -1.592) 1.939 19.374 ( 1.528 0.855 3.198) 3.646 19.489 ( 4.291 2.484 -6.974) 8.557 19.959 ( 1.991 1.151 0.860) 2.455 20.226 ( -0.503 -0.261 -5.674) 5.702 20.229 ( -0.180 -0.133 -6.168) 6.172 21.031 ( -6.648 -3.839 -10.380) 12.911 22.818 ( 0.493 0.278 -0.926) 1.086 22.841 ( 2.362 1.372 -0.545) 2.785 23.129 ( -0.442 -0.257 9.085) 9.099 24.001 ( -1.014 -0.577 -10.901) 10.963 24.315 ( -4.428 -2.610 -5.275) 7.366 24.366 ( -1.241 -0.672 -5.934) 6.100 24.940 ( -7.805 -4.577 4.117) 9.941 25.097 ( -0.223 0.108 3.593) 3.601 25.207 ( 4.023 2.132 -0.550) 4.586 25.353 ( 0.445 0.210 -1.591) 1.665 25.375 ( 1.274 0.811 -2.397) 2.833 25.834 ( 6.059 3.493 -9.420) 11.732 26.264 ( -2.788 -1.600 -1.597) 3.589 26.288 ( -0.904 -0.530 -1.791) 2.075 26.938 ( -1.919 -1.112 -2.127) 3.073 27.219 ( -6.388 -3.642 -1.984) 7.616 27.279 ( -3.598 -2.123 -2.391) 4.813 27.815 ( 11.722 6.774 2.345) 13.740 28.765 ( -5.378 -3.088 -0.122) 6.203 29.111 ( 0.217 -0.066 7.333) 7.336 29.183 ( 2.089 1.394 1.217) 2.790 29.391 ( -2.062 -1.170 1.552) 2.834 29.471 ( 0.310 0.177 1.381) 1.426 29.661 ( 6.017 3.422 -8.119) 10.669 30.144 ( -1.331 -0.697 -8.514) 8.645 30.225 ( 4.639 2.626 -5.831) 7.900 30.800 ( -0.821 -0.474 -10.557) 10.600 ======================= Grid point 217 (43/56) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -1.599 -0.757 12.497) 12.622 2.530 ( -3.288 -1.719 12.162) 12.716 2.788 ( -5.899 -3.952 7.302) 10.185 2.855 ( -2.321 -3.270 4.724) 6.196 2.955 ( -1.009 0.827 6.863) 6.986 3.005 ( -1.895 -0.364 6.690) 6.963 3.153 ( -1.602 -1.178 4.764) 5.162 3.288 ( -0.576 2.961 4.878) 5.735 3.392 ( 3.242 -0.589 -0.493) 3.332 3.510 ( 4.217 1.241 0.201) 4.400 3.671 ( 3.562 1.067 -0.915) 3.829 3.798 ( 1.250 3.053 -2.738) 4.288 3.918 ( -0.454 -1.479 5.528) 5.740 4.079 ( 3.244 3.231 -1.302) 4.760 4.242 ( 0.160 -2.200 -3.056) 3.769 4.277 ( -2.151 -0.116 -0.860) 2.319 4.331 ( 2.735 1.823 -0.719) 3.365 4.404 ( 0.701 0.928 -1.931) 2.254 4.451 ( 0.590 0.837 -0.796) 1.297 4.494 ( 2.226 -0.293 2.975) 3.727 4.635 ( -1.519 -0.128 7.237) 7.396 4.751 ( -1.387 -0.373 9.203) 9.314 4.836 ( -0.635 -2.016 7.436) 7.731 4.896 ( -2.685 -0.008 6.480) 7.014 5.005 ( -1.035 -1.190 6.656) 6.841 5.200 ( 1.461 1.016 3.031) 3.514 5.322 ( 0.209 0.077 2.710) 2.719 17.643 ( -0.025 -0.007 -1.109) 1.109 17.676 ( 0.848 0.482 -2.214) 2.419 19.321 ( -0.376 -0.169 -3.270) 3.296 19.412 ( 1.583 0.838 2.524) 3.095 19.594 ( 4.392 2.550 -1.139) 5.204 20.008 ( 1.695 0.995 0.317) 1.991 20.217 ( -0.286 0.053 -4.885) 4.894 20.230 ( 0.625 0.150 -6.764) 6.794 20.849 ( -8.067 -4.670 -8.200) 12.415 22.836 ( 1.008 0.564 -1.781) 2.123 22.914 ( 3.805 2.234 0.501) 4.441 23.099 ( -2.306 -1.352 6.569) 7.092 23.944 ( -3.676 -2.059 -9.213) 10.130 24.253 ( -0.203 -0.412 -5.560) 5.579 24.330 ( -1.917 -0.885 -6.351) 6.693 24.778 ( -5.559 -3.311 3.603) 7.406 25.091 ( -0.549 0.145 3.460) 3.506 25.282 ( 2.835 1.171 -4.625) 5.550 25.381 ( 1.615 0.784 -0.882) 2.001 25.408 ( 1.178 0.969 2.127) 2.617 25.961 ( 4.433 2.490 -10.917) 12.043 26.191 ( -3.109 -1.688 -1.619) 3.891 26.261 ( -1.299 -0.820 -2.034) 2.548 26.896 ( -1.469 -0.883 -1.193) 2.088 27.088 ( -4.762 -2.609 -2.842) 6.128 27.193 ( -3.130 -1.918 -3.536) 5.097 28.074 ( 9.699 5.625 1.747) 11.347 28.666 ( -3.293 -1.822 6.019) 7.099 29.081 ( -2.421 -2.232 3.551) 4.843 29.182 ( -0.164 0.763 3.940) 4.016 29.406 ( 1.359 0.747 1.260) 1.998 29.478 ( 0.108 0.137 2.711) 2.717 29.794 ( 4.879 2.467 -11.872) 13.070 30.125 ( -0.122 0.284 -12.165) 12.169 30.327 ( 3.707 1.978 -4.098) 5.869 30.773 ( -1.361 -0.779 -9.950) 10.073 ======================= Grid point 218 (44/56) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.000 0.000 11.440) 11.440 2.449 ( -0.000 -0.000 7.101) 7.101 2.716 ( 0.000 0.000 11.808) 11.808 2.818 ( 0.000 0.000 3.374) 3.374 2.945 ( -0.000 0.000 6.940) 6.940 3.001 ( -0.000 0.000 9.381) 9.381 3.131 ( 0.000 -0.000 6.221) 6.221 3.300 ( 0.000 0.000 6.558) 6.558 3.418 ( 0.000 0.000 -0.713) 0.713 3.552 ( 0.000 -0.000 0.668) 0.668 3.676 ( -0.000 0.000 -1.100) 1.100 3.875 ( 0.000 0.000 -5.816) 5.816 3.901 ( 0.000 0.000 4.096) 4.096 4.124 ( 0.000 0.000 -0.984) 0.984 4.215 ( 0.000 -0.000 -0.050) 0.050 4.248 ( -0.000 0.000 -3.558) 3.558 4.371 ( 0.000 0.000 -3.323) 3.323 4.419 ( -0.000 -0.000 -5.345) 5.345 4.455 ( 0.000 -0.000 -4.334) 4.334 4.526 ( 0.000 0.000 9.141) 9.141 4.629 ( 0.000 0.000 9.226) 9.226 4.710 ( 0.000 0.000 10.318) 10.318 4.831 ( 0.000 -0.000 8.227) 8.227 4.872 ( 0.000 -0.000 6.917) 6.917 4.988 ( 0.000 0.000 6.248) 6.248 5.219 ( 0.000 -0.000 3.085) 3.085 5.323 ( 0.000 0.000 2.863) 2.863 17.643 ( 0.000 0.000 -1.349) 1.349 17.687 ( 0.000 0.000 -2.838) 2.838 19.317 ( 0.000 0.000 -3.469) 3.469 19.432 ( 0.000 0.000 2.076) 2.076 19.653 ( 0.000 0.000 1.875) 1.875 20.024 ( 0.000 0.000 0.244) 0.244 20.215 ( 0.000 0.000 -4.730) 4.730 20.246 ( 0.000 0.000 -7.858) 7.858 20.739 ( 0.000 0.000 -7.028) 7.028 22.851 ( 0.000 0.000 -2.591) 2.591 22.983 ( 0.000 -0.000 1.282) 1.282 23.047 ( 0.000 0.000 5.316) 5.316 23.892 ( 0.000 0.000 -7.893) 7.893 24.267 ( -0.000 -0.000 -5.543) 5.543 24.297 ( 0.000 0.000 -7.075) 7.075 24.712 ( 0.000 0.000 3.524) 3.524 25.086 ( 0.000 0.000 3.454) 3.454 25.314 ( 0.000 0.000 -5.646) 5.646 25.403 ( 0.000 0.000 -1.103) 1.103 25.424 ( 0.000 0.000 3.438) 3.438 26.014 ( 0.000 0.000 -10.890) 10.890 26.153 ( 0.000 0.000 -1.980) 1.980 26.241 ( 0.000 0.000 -2.060) 2.060 26.878 ( 0.000 0.000 -0.836) 0.836 27.030 ( 0.000 0.000 -3.528) 3.528 27.155 ( -0.000 0.000 -3.874) 3.874 28.196 ( 0.000 0.000 0.864) 0.864 28.624 ( 0.000 0.000 8.638) 8.638 29.041 ( 0.000 -0.000 2.089) 2.089 29.191 ( -0.000 0.000 5.753) 5.753 29.420 ( 0.000 0.000 1.219) 1.219 29.478 ( 0.000 0.000 2.954) 2.954 29.847 ( 0.000 0.000 -12.205) 12.205 30.134 ( 0.000 0.000 -14.892) 14.892 30.370 ( 0.000 -0.000 -3.679) 3.679 30.754 ( 0.000 0.000 -9.362) 9.362 ======================= Grid point 223 (45/56) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -1.691 -3.103 13.196) 13.661 2.558 ( -0.241 -0.796 14.912) 14.935 2.773 ( -4.916 -8.225 4.975) 10.796 2.917 ( -4.008 -0.641 4.057) 5.739 2.976 ( -0.257 -4.228 5.362) 6.833 3.031 ( 1.001 -0.407 7.822) 7.896 3.137 ( -1.988 -3.306 4.964) 6.286 3.226 ( 0.470 -2.685 3.237) 4.232 3.412 ( -0.315 2.400 0.475) 2.467 3.524 ( 4.460 9.217 -2.850) 10.628 3.608 ( 2.284 4.502 0.774) 5.107 3.816 ( 0.716 -2.135 0.486) 2.304 3.946 ( 0.448 5.019 2.913) 5.820 4.023 ( 2.489 0.693 -0.140) 2.588 4.236 ( -1.825 -0.861 -3.274) 3.846 4.300 ( 2.027 0.390 0.804) 2.215 4.310 ( -0.444 1.286 -0.674) 1.518 4.387 ( 0.829 0.928 2.162) 2.495 4.446 ( 1.091 0.843 -0.259) 1.403 4.496 ( -0.167 1.834 -2.232) 2.894 4.643 ( -0.565 -2.010 7.426) 7.714 4.754 ( 0.591 0.547 8.641) 8.679 4.845 ( -2.657 -2.411 6.877) 7.757 4.905 ( -0.719 -3.345 6.838) 7.646 5.019 ( -0.902 -0.724 6.296) 6.402 5.191 ( 1.307 1.994 3.288) 4.061 5.319 ( 0.032 0.115 2.495) 2.498 17.646 ( 0.099 0.157 -1.010) 1.027 17.669 ( 0.453 0.800 -1.880) 2.093 19.322 ( -0.312 -0.614 -2.962) 3.041 19.410 ( 1.348 2.458 2.936) 4.060 19.561 ( 2.461 4.229 -2.862) 5.669 19.997 ( 1.290 2.215 0.414) 2.596 20.218 ( 0.019 -0.309 -5.250) 5.259 20.227 ( -0.167 0.046 -6.230) 6.233 20.900 ( -4.926 -8.517 -8.789) 13.193 22.833 ( 0.707 1.257 -1.378) 1.995 22.889 ( 1.975 3.367 0.055) 3.904 23.112 ( -1.023 -1.748 7.237) 7.515 23.960 ( -2.245 -3.977 -9.652) 10.678 24.261 ( -0.958 -1.276 -5.539) 5.764 24.344 ( -0.695 -1.484 -6.228) 6.440 24.810 ( -4.201 -7.095 3.795) 9.077 25.108 ( 0.876 0.591 3.590) 3.743 25.256 ( 0.940 2.553 -4.150) 4.962 25.373 ( 0.844 1.696 -0.266) 1.913 25.398 ( 0.977 1.230 0.751) 1.741 25.932 ( 2.987 5.249 -10.758) 12.338 26.205 ( -2.117 -3.771 -1.433) 4.556 26.275 ( -0.535 -0.854 -2.095) 2.325 26.906 ( -1.043 -1.760 -1.503) 2.538 27.116 ( -3.327 -5.994 -2.734) 7.381 27.209 ( -2.457 -4.058 -3.052) 5.640 28.016 ( 6.806 11.750 1.934) 13.716 28.687 ( -2.225 -3.972 4.781) 6.602 29.078 ( -2.519 -3.394 4.833) 6.420 29.206 ( 1.347 1.314 2.500) 3.129 29.395 ( 0.749 1.317 1.459) 2.103 29.473 ( -0.054 -0.160 2.605) 2.610 29.769 ( 3.565 6.670 -11.596) 13.844 30.115 ( -0.812 -1.892 -10.744) 10.939 30.310 ( 2.746 4.984 -4.599) 7.317 30.781 ( -0.794 -1.384 -10.162) 10.286 ======================= Grid point 224 (46/56) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 1.721 2.543 10.621) 11.056 2.504 ( -6.056 -0.880 8.710) 10.645 2.635 ( 1.785 -8.072 8.098) 11.573 2.841 ( -2.357 -0.547 4.760) 5.340 2.962 ( -1.354 -1.131 7.089) 7.305 3.042 ( 2.218 -0.287 8.800) 9.080 3.087 ( -2.370 0.985 9.742) 10.074 3.248 ( 2.822 -2.151 3.653) 5.092 3.389 ( 1.162 -5.509 3.420) 6.588 3.615 ( -3.204 10.143 -2.133) 10.849 3.725 ( 1.355 3.232 -1.654) 3.875 3.819 ( 3.295 -0.574 -3.014) 4.503 3.973 ( -2.717 5.378 1.616) 6.238 4.097 ( 4.048 -1.143 -1.226) 4.381 4.180 ( -0.976 -3.673 -2.488) 4.543 4.260 ( -1.702 -1.445 0.132) 2.237 4.359 ( 0.780 -1.127 -3.179) 3.462 4.400 ( 1.704 1.200 -4.860) 5.288 4.476 ( -0.376 1.166 -5.337) 5.476 4.530 ( 0.751 3.104 8.578) 9.153 4.633 ( 0.290 0.117 8.729) 8.734 4.727 ( -2.630 -2.045 11.241) 11.724 4.793 ( 1.016 -2.467 8.701) 9.101 4.882 ( -0.475 -0.565 6.700) 6.740 5.002 ( -0.748 0.515 5.386) 5.462 5.227 ( 0.385 1.765 3.817) 4.223 5.313 ( 0.127 -1.005 2.450) 2.651 17.648 ( -0.167 0.471 -1.397) 1.483 17.681 ( 0.438 -0.002 -2.790) 2.824 19.314 ( -0.006 -0.335 -3.342) 3.358 19.451 ( 0.022 2.662 2.515) 3.662 19.632 ( 2.127 0.876 1.232) 2.610 20.026 ( 0.254 0.631 0.245) 0.723 20.220 ( -0.314 0.312 -5.241) 5.260 20.235 ( 1.077 0.226 -7.053) 7.138 20.749 ( -3.310 -4.525 -7.369) 9.259 22.859 ( 0.244 1.502 -2.440) 2.876 22.964 ( 2.813 2.572 1.293) 4.025 23.060 ( -2.196 -2.471 5.209) 6.169 23.878 ( -1.260 -3.830 -7.545) 8.555 24.266 ( 0.666 1.398 -6.071) 6.265 24.317 ( -1.357 -0.386 -6.963) 7.105 24.704 ( -1.460 -3.415 3.773) 5.294 25.121 ( -1.211 2.359 3.636) 4.500 25.292 ( 1.678 -0.158 -5.795) 6.035 25.399 ( 0.541 0.632 1.883) 2.058 25.423 ( 0.578 0.655 0.433) 0.975 26.004 ( 1.281 1.179 -10.678) 10.819 26.150 ( -0.653 -1.550 -1.859) 2.507 26.255 ( -0.956 0.010 -2.409) 2.592 26.880 ( -0.470 -0.514 -1.294) 1.470 27.018 ( -1.381 -4.048 -3.917) 5.800 27.147 ( -0.732 -2.114 -3.133) 3.850 28.209 ( 3.131 6.938 0.622) 7.637 28.624 ( -1.224 -2.197 8.924) 9.272 29.008 ( -0.394 -3.592 3.253) 4.862 29.247 ( -0.891 4.559 4.551) 6.503 29.411 ( 0.448 -0.242 1.837) 1.906 29.465 ( 0.321 -1.560 2.796) 3.218 29.868 ( 0.687 4.517 -13.266) 14.030 30.097 ( 1.354 -2.838 -13.722) 14.078 30.385 ( 0.807 3.147 -4.225) 5.330 30.754 ( -0.595 -1.047 -9.397) 9.474 ======================= Grid point 225 (47/56) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -3.029 -0.037 10.640) 11.063 2.503 ( 3.391 4.414 9.295) 10.835 2.645 ( 6.839 -5.618 6.813) 11.169 2.857 ( 3.276 2.354 5.175) 6.561 2.928 ( -0.771 -0.346 7.766) 7.812 3.050 ( -0.949 -0.898 10.518) 10.599 3.106 ( 1.318 2.874 5.293) 6.165 3.218 ( -0.807 -4.168 7.866) 8.938 3.402 ( 4.579 -3.728 1.065) 6.000 3.623 ( -6.404 7.495 -2.973) 10.297 3.729 ( -2.472 0.494 1.852) 3.128 3.812 ( -2.788 -3.112 -5.614) 6.998 3.978 ( -2.936 5.823 1.740) 6.750 4.070 ( -0.988 -4.214 -0.628) 4.373 4.202 ( 3.864 -1.931 -3.116) 5.326 4.265 ( 2.308 0.968 0.160) 2.508 4.348 ( -0.343 -0.959 -2.688) 2.874 4.398 ( -1.866 -0.866 -4.261) 4.731 4.477 ( -0.913 0.876 -4.422) 4.600 4.544 ( -2.225 0.501 4.490) 5.036 4.621 ( -0.685 0.071 11.724) 11.744 4.722 ( 2.570 1.144 10.677) 11.041 4.804 ( 2.912 -2.409 8.615) 9.407 4.874 ( -0.280 0.627 6.733) 6.768 5.005 ( 0.295 0.744 5.329) 5.389 5.226 ( -1.834 0.588 3.870) 4.322 5.314 ( 0.831 -0.620 2.432) 2.643 17.648 ( -0.330 0.381 -1.396) 1.484 17.681 ( -0.211 -0.381 -2.792) 2.825 19.314 ( 0.263 -0.150 -3.300) 3.314 19.452 ( -2.266 1.296 2.438) 3.572 19.632 ( -1.832 -1.406 1.266) 2.634 20.026 ( -0.686 0.102 0.258) 0.740 20.217 ( -0.315 0.334 -5.145) 5.165 20.237 ( -0.538 -0.722 -7.170) 7.226 20.749 ( 5.584 0.599 -7.361) 9.259 22.859 ( -1.411 0.538 -2.470) 2.895 22.963 ( -3.641 -1.127 1.382) 4.054 23.060 ( 3.233 0.644 5.150) 6.115 23.878 ( 3.903 -0.807 -7.506) 8.499 24.270 ( -1.400 -0.095 -6.415) 6.567 24.313 ( 0.920 1.178 -6.658) 6.824 24.704 ( 3.745 -0.462 3.739) 5.313 25.117 ( -1.752 2.269 3.683) 4.667 25.296 ( -0.380 -1.569 -6.014) 6.227 25.401 ( -0.637 -0.230 2.257) 2.356 25.420 ( -1.132 -0.067 0.266) 1.164 26.005 ( -1.606 -0.566 -10.777) 10.911 26.149 ( 1.593 -0.143 -1.733) 2.358 26.256 ( 0.515 0.800 -2.440) 2.619 26.881 ( 0.705 0.140 -1.266) 1.455 27.017 ( 4.101 -0.794 -3.968) 5.762 27.148 ( 2.270 -0.447 -3.098) 3.867 28.209 ( -7.592 0.764 0.581) 7.653 28.623 ( 2.456 -0.016 8.958) 9.288 29.011 ( 3.678 -1.623 3.307) 5.205 29.243 ( -3.878 3.207 4.375) 6.668 29.412 ( 0.002 -0.516 1.884) 1.953 29.464 ( 1.141 -1.025 2.843) 3.230 29.872 ( -4.008 1.595 -13.274) 13.958 30.093 ( 1.541 -2.516 -13.610) 13.927 30.386 ( -3.026 0.825 -4.301) 5.323 30.754 ( 1.199 -0.005 -9.396) 9.472 ======================= Grid point 230 (48/56) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -0.000 -0.000 7.888) 7.888 2.501 ( 0.000 -0.000 8.328) 8.328 2.501 ( -0.000 0.000 8.551) 8.551 2.831 ( 0.000 -0.000 3.964) 3.964 2.966 ( 0.000 0.000 8.982) 8.982 2.978 ( -0.000 -0.000 11.022) 11.022 3.177 ( -0.000 -0.000 10.970) 10.970 3.244 ( 0.000 -0.000 2.877) 2.877 3.274 ( 0.000 0.000 4.875) 4.875 3.745 ( -0.000 0.000 5.146) 5.146 3.759 ( -0.000 -0.000 -6.881) 6.881 3.813 ( -0.000 0.000 -9.642) 9.642 4.042 ( -0.000 -0.000 -0.730) 0.730 4.072 ( 0.000 -0.000 2.335) 2.335 4.132 ( -0.000 -0.000 -3.449) 3.449 4.233 ( -0.000 0.000 0.834) 0.834 4.340 ( -0.000 0.000 -2.334) 2.334 4.422 ( -0.000 -0.000 -6.012) 6.012 4.486 ( -0.000 -0.000 -5.440) 5.440 4.565 ( -0.000 -0.000 2.684) 2.684 4.653 ( -0.000 0.000 15.650) 15.650 4.684 ( 0.000 -0.000 11.946) 11.946 4.762 ( 0.000 -0.000 8.928) 8.928 4.881 ( -0.000 -0.000 6.385) 6.385 5.007 ( -0.000 -0.000 4.656) 4.656 5.256 ( 0.000 0.000 6.343) 6.343 5.293 ( -0.000 -0.000 0.340) 0.340 17.656 ( -0.000 -0.000 -1.474) 1.474 17.679 ( -0.000 -0.000 -3.146) 3.146 19.311 ( -0.000 -0.000 -3.284) 3.284 19.486 ( -0.000 -0.000 2.689) 2.689 19.635 ( -0.000 -0.000 2.308) 2.308 20.031 ( -0.000 -0.000 0.260) 0.260 20.230 ( -0.000 0.000 -5.648) 5.648 20.231 ( 0.000 -0.000 -7.110) 7.110 20.701 ( -0.000 -0.000 -7.150) 7.150 22.878 ( -0.000 -0.000 -3.087) 3.087 23.008 ( 0.000 0.000 3.316) 3.316 23.014 ( -0.000 -0.000 3.204) 3.204 23.834 ( -0.000 -0.000 -6.552) 6.552 24.281 ( -0.000 0.000 -6.249) 6.249 24.316 ( 0.000 -0.000 -7.478) 7.478 24.667 ( -0.000 -0.000 3.916) 3.916 25.154 ( -0.000 -0.000 4.483) 4.483 25.285 ( 0.000 -0.000 -7.122) 7.122 25.402 ( -0.000 -0.000 5.266) 5.266 25.433 ( -0.000 -0.000 -2.355) 2.355 26.008 ( -0.000 -0.000 -9.379) 9.379 26.141 ( -0.000 -0.000 -2.938) 2.938 26.255 ( -0.000 -0.000 -2.710) 2.710 26.877 ( 0.000 -0.000 -1.697) 1.697 26.968 ( -0.000 -0.000 -4.722) 4.722 27.125 ( -0.000 -0.000 -2.451) 2.451 28.290 ( -0.000 -0.000 -1.062) 1.062 28.596 ( -0.000 -0.000 11.436) 11.436 28.969 ( 0.000 -0.000 3.535) 3.535 29.313 ( -0.000 -0.000 3.765) 3.765 29.402 ( 0.000 -0.000 6.147) 6.147 29.437 ( -0.000 -0.000 -0.309) 0.309 29.928 ( -0.000 -0.000 -14.985) 14.985 30.053 ( -0.000 0.000 -13.324) 13.324 30.420 ( -0.000 -0.000 -4.711) 4.711 30.742 ( -0.000 -0.000 -9.000) 9.000 ======================= Grid point 258 (49/56) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 0.000 0.000 11.615) 11.615 2.879 ( 0.000 0.000 11.615) 11.615 2.966 ( 0.000 0.000 8.993) 8.993 3.086 ( 0.000 0.000 -1.359) 1.359 3.086 ( 0.000 0.000 -1.359) 1.359 3.144 ( 0.000 0.000 -6.861) 6.861 3.237 ( 0.000 0.000 -2.774) 2.774 3.237 ( 0.000 0.000 -2.774) 2.774 3.245 ( 0.000 0.000 -0.379) 0.379 3.245 ( 0.000 0.000 -0.379) 0.379 3.484 ( 0.000 0.000 0.640) 0.640 3.884 ( 0.000 -0.000 2.098) 2.098 3.884 ( 0.000 0.000 2.098) 2.098 3.946 ( 0.000 0.000 -0.969) 0.969 4.266 ( -0.000 0.000 0.535) 0.535 4.266 ( -0.000 0.000 0.535) 0.535 4.284 ( 0.000 0.000 0.861) 0.861 4.327 ( 0.000 -0.000 -5.706) 5.706 4.327 ( 0.000 0.000 -5.706) 5.706 4.694 ( 0.000 0.000 13.315) 13.315 4.811 ( 0.000 0.000 2.999) 2.999 4.811 ( 0.000 0.000 2.999) 2.999 4.955 ( 0.000 0.000 2.528) 2.528 5.056 ( 0.000 0.000 -5.179) 5.179 5.162 ( 0.000 0.000 2.984) 2.984 5.162 ( 0.000 -0.000 2.984) 2.984 5.333 ( 0.000 0.000 1.036) 1.036 17.640 ( 0.000 0.000 -0.061) 0.061 17.640 ( 0.000 0.000 -0.061) 0.061 19.239 ( -0.000 0.000 -5.030) 5.030 19.402 ( 0.000 0.000 1.216) 1.216 19.402 ( 0.000 0.000 1.216) 1.216 19.952 ( 0.000 0.000 0.463) 0.463 20.151 ( 0.000 0.000 -1.997) 1.997 20.151 ( 0.000 0.000 -1.997) 1.997 20.953 ( 0.000 0.000 -4.116) 4.116 22.803 ( 0.000 0.000 -0.221) 0.221 22.803 ( -0.000 0.000 -0.221) 0.221 23.323 ( 0.000 0.000 7.309) 7.309 23.804 ( 0.000 0.000 -7.745) 7.745 24.296 ( 0.000 0.000 -2.334) 2.334 24.296 ( 0.000 0.000 -2.334) 2.334 25.143 ( 0.000 0.000 0.960) 0.960 25.143 ( 0.000 0.000 0.960) 0.960 25.208 ( -0.000 0.000 5.187) 5.187 25.302 ( 0.000 0.000 -1.181) 1.181 25.302 ( 0.000 0.000 -1.181) 1.181 25.582 ( 0.000 0.000 -6.895) 6.895 26.277 ( 0.000 0.000 -0.514) 0.514 26.277 ( 0.000 0.000 -0.514) 0.514 26.945 ( 0.000 0.000 0.039) 0.039 27.298 ( 0.000 0.000 -0.756) 0.756 27.298 ( 0.000 0.000 -0.756) 0.756 27.671 ( 0.000 0.000 0.665) 0.665 28.747 ( 0.000 0.000 -2.926) 2.926 29.212 ( 0.000 0.000 2.961) 2.961 29.212 ( 0.000 0.000 2.961) 2.961 29.458 ( 0.000 0.000 -0.820) 0.820 29.458 ( 0.000 0.000 -0.820) 0.820 29.495 ( 0.000 0.000 -1.820) 1.820 30.070 ( 0.000 0.000 -2.183) 2.183 30.070 ( 0.000 0.000 -2.183) 2.183 30.667 ( 0.000 0.000 -3.615) 3.615 ======================= Grid point 259 (50/56) ======================= q-point: ( 0.17 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -8.300 -4.731 9.978) 13.814 2.841 ( -3.737 -2.488 9.521) 10.527 2.925 ( -8.285 -3.937 -5.338) 10.613 3.034 ( -1.637 -2.511 0.462) 3.033 3.051 ( 1.415 0.433 5.791) 5.977 3.133 ( -2.821 0.574 1.180) 3.111 3.241 ( 0.319 1.035 2.180) 2.434 3.282 ( 3.190 -1.260 -1.630) 3.798 3.308 ( 4.964 2.832 -0.701) 5.758 3.347 ( 5.788 4.927 -1.773) 7.805 3.553 ( 5.151 2.863 -0.337) 5.903 3.799 ( -4.018 -2.698 -1.300) 5.011 3.935 ( 3.946 2.943 1.566) 5.166 4.046 ( 4.090 2.107 2.882) 5.429 4.171 ( -4.031 -2.390 -3.317) 5.741 4.253 ( -1.279 -0.663 0.000) 1.440 4.301 ( 0.056 -0.220 -1.689) 1.704 4.323 ( -0.137 0.133 -5.060) 5.064 4.362 ( 1.414 0.781 -1.617) 2.286 4.688 ( -0.829 -0.454 9.883) 9.929 4.799 ( -0.269 -0.147 5.247) 5.256 4.842 ( 2.379 1.356 3.147) 4.171 4.957 ( -0.240 -0.162 2.849) 2.863 5.020 ( -2.475 -1.396 -2.267) 3.636 5.144 ( -1.465 -0.855 2.954) 3.407 5.175 ( 1.046 0.602 0.359) 1.260 5.353 ( 1.317 0.762 1.433) 2.090 17.636 ( -0.375 -0.215 -0.216) 0.484 17.644 ( 0.309 0.177 -0.198) 0.407 19.240 ( 0.136 0.079 -3.892) 3.895 19.418 ( 1.242 0.717 1.131) 1.826 19.462 ( 4.930 2.845 0.575) 5.721 19.970 ( 1.527 0.881 0.263) 1.782 20.149 ( -0.207 -0.123 -1.972) 1.987 20.152 ( 0.045 0.030 -1.817) 1.818 20.889 ( -5.410 -3.124 -3.699) 7.261 22.808 ( 0.384 0.222 -0.188) 0.482 22.835 ( 2.791 1.611 -0.098) 3.224 23.297 ( -2.346 -1.354 6.221) 6.785 23.809 ( 0.144 0.082 -6.878) 6.880 24.237 ( -4.150 -2.381 -2.155) 5.247 24.279 ( -1.420 -0.836 -2.407) 2.917 25.007 ( -9.469 -5.482 2.153) 11.151 25.138 ( -0.478 -0.129 0.750) 0.899 25.174 ( 1.540 0.751 -1.501) 2.278 25.320 ( 1.438 0.846 -0.783) 1.843 25.447 ( 5.590 3.223 6.963) 9.493 25.631 ( 4.302 2.479 -10.075) 11.232 26.245 ( -2.662 -1.520 -0.445) 3.098 26.265 ( -1.044 -0.618 -0.562) 1.337 26.924 ( -1.590 -0.920 0.088) 1.839 27.188 ( -6.790 -3.873 -0.918) 7.870 27.244 ( -4.258 -2.512 -0.950) 5.034 27.842 ( 11.467 6.633 0.575) 13.260 28.749 ( 0.250 0.147 -0.708) 0.765 29.196 ( -2.284 -1.732 1.539) 3.253 29.232 ( 1.144 1.126 2.458) 2.936 29.427 ( -0.675 -0.411 2.542) 2.662 29.475 ( 1.343 0.778 -0.425) 1.610 29.513 ( 1.727 0.947 -5.992) 6.308 30.035 ( -2.860 -1.622 -2.639) 4.216 30.157 ( 6.205 3.564 -1.449) 7.301 30.660 ( -0.614 -0.354 -3.561) 3.631 ======================= Grid point 260 (51/56) ======================= q-point: ( 0.33 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -4.149 -2.174 7.258) 8.638 2.684 ( -7.216 -4.477 2.601) 8.881 2.818 ( -2.896 -1.621 -0.710) 3.394 2.961 ( -1.966 -2.324 3.009) 4.280 3.053 ( -2.105 0.515 3.806) 4.380 3.140 ( 2.147 1.458 5.068) 5.694 3.243 ( -0.856 0.079 3.262) 3.374 3.321 ( 3.872 -1.515 -2.508) 4.856 3.401 ( 1.101 3.900 2.625) 4.828 3.496 ( 5.396 3.179 -1.385) 6.414 3.660 ( 3.455 0.327 0.585) 3.520 3.725 ( -1.050 -0.628 -3.652) 3.851 4.002 ( -2.573 -1.085 3.159) 4.216 4.056 ( 2.049 3.677 -1.150) 4.363 4.176 ( 1.616 -1.544 -2.098) 3.065 4.219 ( -0.397 -0.089 -3.545) 3.568 4.284 ( -1.006 -0.891 -1.438) 1.968 4.336 ( 0.778 1.023 -2.632) 2.929 4.377 ( 0.208 0.015 -1.374) 1.390 4.655 ( -1.671 -0.838 4.136) 4.539 4.819 ( 1.715 1.023 8.451) 8.683 4.891 ( 0.683 0.543 4.327) 4.414 4.932 ( -0.604 -0.940 1.727) 2.057 4.980 ( -1.328 -0.304 1.365) 1.929 5.105 ( -1.615 -1.001 2.822) 3.402 5.204 ( 1.344 0.758 -1.116) 1.904 5.376 ( 0.554 0.328 1.826) 1.936 17.626 ( -0.373 -0.211 -0.513) 0.669 17.652 ( 0.298 0.167 -0.469) 0.580 19.245 ( 0.254 0.148 -2.677) 2.693 19.448 ( 1.208 0.700 0.957) 1.692 19.599 ( 6.245 3.598 0.596) 7.232 20.011 ( 1.702 0.983 -0.009) 1.965 20.143 ( -0.269 -0.161 -2.099) 2.122 20.153 ( 0.036 0.032 -1.575) 1.576 20.735 ( -7.043 -4.068 -3.031) 8.680 22.818 ( 0.410 0.239 -0.322) 0.573 22.923 ( 4.641 2.673 0.297) 5.364 23.219 ( -4.229 -2.437 4.246) 6.469 23.793 ( -1.531 -0.897 -4.880) 5.192 24.171 ( -0.932 -0.450 -2.331) 2.551 24.237 ( -2.066 -1.279 -2.543) 3.517 24.824 ( -5.991 -3.479 1.082) 7.012 25.127 ( -0.560 -0.091 0.532) 0.778 25.221 ( 2.288 1.117 -1.366) 2.889 25.360 ( 1.748 1.045 -0.369) 2.070 25.518 ( 1.284 0.728 6.488) 6.654 25.747 ( 4.742 2.690 -9.301) 10.781 26.174 ( -3.067 -1.682 -0.343) 3.514 26.235 ( -1.358 -0.851 -0.619) 1.718 26.887 ( -1.372 -0.808 0.022) 1.592 27.047 ( -5.277 -2.915 -1.141) 6.136 27.144 ( -3.574 -2.204 -1.336) 4.407 28.089 ( 8.876 5.199 0.179) 10.288 28.758 ( 0.477 0.290 2.843) 2.898 29.106 ( -3.790 -2.783 0.330) 4.714 29.268 ( 1.260 1.577 2.901) 3.534 29.435 ( 0.510 0.190 1.806) 1.886 29.508 ( 1.196 0.755 0.529) 1.510 29.577 ( 3.445 1.603 -7.880) 8.748 29.962 ( -2.944 -1.544 -4.129) 5.301 30.289 ( 4.560 2.586 -0.623) 5.279 30.641 ( -0.918 -0.526 -3.382) 3.543 ======================= Grid point 261 (52/56) ======================= q-point: (-0.50 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 0.000 0.000 2.834) 2.834 2.583 ( -0.000 -0.000 6.506) 6.506 2.781 ( 0.000 0.000 -2.347) 2.347 2.934 ( 0.000 -0.000 5.855) 5.855 3.035 ( 0.000 0.000 2.605) 2.605 3.174 ( -0.000 0.000 5.831) 5.831 3.232 ( 0.000 0.000 3.274) 3.274 3.359 ( 0.000 0.000 -3.665) 3.665 3.421 ( 0.000 0.000 4.526) 4.526 3.559 ( 0.000 0.000 -0.745) 0.745 3.663 ( -0.000 0.000 0.519) 0.519 3.749 ( 0.000 0.000 -4.851) 4.851 3.963 ( 0.000 0.000 1.838) 1.838 4.110 ( 0.000 0.000 -1.733) 1.733 4.150 ( 0.000 -0.000 -0.410) 0.410 4.234 ( 0.000 0.000 -4.957) 4.957 4.267 ( 0.000 -0.000 -0.598) 0.598 4.353 ( 0.000 0.000 -1.744) 1.744 4.378 ( 0.000 -0.000 -1.931) 1.931 4.635 ( 0.000 0.000 2.815) 2.815 4.856 ( 0.000 0.000 8.616) 8.616 4.867 ( -0.000 -0.000 4.472) 4.472 4.947 ( 0.000 -0.000 3.034) 3.034 4.958 ( 0.000 -0.000 1.244) 1.244 5.084 ( 0.000 0.000 2.736) 2.736 5.222 ( -0.000 -0.000 -1.259) 1.259 5.381 ( 0.000 0.000 1.953) 1.953 17.622 ( 0.000 0.000 -0.656) 0.656 17.655 ( 0.000 0.000 -0.602) 0.602 19.248 ( 0.000 0.000 -2.294) 2.294 19.463 ( 0.000 0.000 0.869) 0.869 19.685 ( 0.000 0.000 1.059) 1.059 20.032 ( 0.000 0.000 0.305) 0.305 20.140 ( 0.000 0.000 -2.572) 2.572 20.154 ( 0.000 0.000 -1.672) 1.672 20.638 ( 0.000 0.000 -2.794) 2.794 22.823 ( 0.000 0.000 -0.495) 0.495 23.002 ( 0.000 -0.000 0.541) 0.541 23.145 ( 0.000 0.000 3.363) 3.363 23.769 ( -0.000 0.000 -3.762) 3.762 24.183 ( -0.000 -0.000 -2.665) 2.665 24.196 ( 0.000 0.000 -2.534) 2.534 24.753 ( 0.000 0.000 0.886) 0.886 25.121 ( 0.000 0.000 0.482) 0.482 25.251 ( 0.000 0.000 -1.226) 1.226 25.383 ( 0.000 0.000 -0.299) 0.299 25.529 ( 0.000 0.000 5.249) 5.249 25.806 ( 0.000 0.000 -8.192) 8.192 26.135 ( 0.000 0.000 -0.304) 0.304 26.216 ( 0.000 0.000 -0.596) 0.596 26.871 ( 0.000 0.000 -0.085) 0.085 26.981 ( 0.000 0.000 -1.302) 1.302 27.101 ( 0.000 0.000 -1.440) 1.440 28.198 ( 0.000 0.000 -0.214) 0.214 28.765 ( 0.000 0.000 4.506) 4.506 29.055 ( 0.000 0.000 0.149) 0.149 29.290 ( 0.000 0.000 3.109) 3.109 29.439 ( 0.000 0.000 0.946) 0.946 29.522 ( 0.000 -0.000 1.220) 1.220 29.620 ( 0.000 0.000 -7.995) 7.995 29.928 ( 0.000 0.000 -5.488) 5.488 30.343 ( 0.000 -0.000 -0.325) 0.325 30.628 ( 0.000 0.000 -3.232) 3.232 ======================= Grid point 266 (53/56) ======================= q-point: ( 0.17 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -2.909 -5.340 8.545) 10.488 2.763 ( -5.295 -7.453 -2.617) 9.510 2.792 ( -1.903 -4.888 6.164) 8.093 2.968 ( -2.846 -2.806 0.033) 3.997 3.077 ( 0.675 -1.202 4.631) 4.832 3.143 ( 1.653 1.448 1.394) 2.603 3.231 ( 0.396 0.160 4.372) 4.393 3.302 ( -1.628 2.481 4.249) 5.183 3.398 ( 3.526 2.460 -0.909) 4.394 3.449 ( 4.057 6.493 -4.766) 9.019 3.628 ( 1.333 3.951 1.594) 4.464 3.763 ( -1.127 -0.887 -3.602) 3.877 3.995 ( 2.955 3.111 2.106) 4.780 4.049 ( -0.497 -2.994 1.590) 3.427 4.165 ( -0.434 2.325 -3.181) 3.964 4.225 ( -0.742 -1.392 -2.833) 3.242 4.300 ( -0.700 0.224 -1.259) 1.458 4.317 ( 0.590 -0.687 -2.845) 2.986 4.379 ( 0.272 0.595 -1.756) 1.874 4.667 ( -0.852 -1.668 5.092) 5.426 4.809 ( 0.841 1.407 8.120) 8.284 4.883 ( 1.310 2.237 3.744) 4.554 4.940 ( -1.309 -1.670 2.280) 3.115 4.987 ( -0.558 -1.541 0.790) 1.820 5.109 ( -1.332 -2.214 2.142) 3.356 5.205 ( 1.236 2.167 -0.407) 2.528 5.369 ( 0.302 0.511 1.745) 1.843 17.631 ( -0.134 -0.242 -0.432) 0.513 17.648 ( 0.084 0.155 -0.411) 0.447 19.243 ( 0.150 0.258 -2.881) 2.897 19.450 ( 1.289 2.227 1.049) 2.778 19.551 ( 3.316 5.754 0.398) 6.653 20.000 ( 1.118 1.936 0.016) 2.235 20.145 ( -0.169 -0.277 -1.934) 1.961 20.152 ( 0.006 -0.011 -1.679) 1.679 20.778 ( -4.280 -7.411 -3.198) 9.137 22.819 ( 0.450 0.776 -0.244) 0.930 22.893 ( 2.379 4.129 0.164) 4.768 23.244 ( -2.268 -3.932 4.707) 6.539 23.800 ( -0.845 -1.447 -5.347) 5.603 24.180 ( -1.166 -2.127 -2.250) 3.308 24.252 ( -1.077 -1.758 -2.559) 3.286 24.862 ( -4.395 -7.579 1.321) 8.860 25.144 ( 0.592 0.414 0.379) 0.816 25.196 ( 0.604 1.620 -1.350) 2.194 25.351 ( 1.275 2.149 -0.411) 2.533 25.506 ( 1.064 1.860 7.173) 7.486 25.716 ( 2.990 5.240 -9.935) 11.624 26.190 ( -1.944 -3.474 -0.295) 3.992 26.247 ( -0.706 -1.139 -0.671) 1.498 26.895 ( -1.056 -1.807 -0.000) 2.093 27.075 ( -3.797 -6.784 -1.186) 7.864 27.167 ( -2.566 -4.218 -1.103) 5.058 28.036 ( 6.382 10.952 0.292) 12.679 28.756 ( 0.383 0.643 2.043) 2.176 29.125 ( -3.268 -4.705 0.824) 5.787 29.268 ( 2.104 2.265 2.322) 3.866 29.429 ( 0.134 0.411 2.160) 2.203 29.502 ( 0.947 1.556 0.526) 1.896 29.559 ( 1.880 3.806 -7.732) 8.820 29.970 ( -2.415 -4.396 -3.686) 6.224 30.265 ( 3.424 6.002 -0.796) 6.956 30.646 ( -0.563 -0.980 -3.441) 3.622 ======================= Grid point 267 (54/56) ======================= q-point: ( 0.33 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -0.190 0.542 5.555) 5.584 2.612 ( -5.110 -2.537 2.398) 6.189 2.729 ( 1.115 -6.083 1.184) 6.297 2.918 ( -0.100 -1.947 2.917) 3.508 3.058 ( -1.628 -0.031 2.663) 3.121 3.171 ( 0.960 0.454 3.627) 3.779 3.259 ( 0.102 0.699 4.741) 4.793 3.312 ( 1.055 2.650 3.491) 4.508 3.443 ( 0.207 -1.388 1.573) 2.108 3.553 ( 1.302 3.480 -3.175) 4.888 3.671 ( 2.261 0.658 -1.315) 2.697 3.747 ( -1.569 1.924 -3.769) 4.513 4.004 ( -1.908 1.038 1.553) 2.670 4.089 ( 3.325 -1.033 -1.604) 3.833 4.127 ( -1.441 -2.320 0.872) 2.867 4.238 ( 0.789 2.376 -6.546) 7.009 4.278 ( -1.421 0.044 0.617) 1.550 4.332 ( 1.325 -1.161 -1.167) 2.114 4.383 ( -0.136 0.190 -2.726) 2.736 4.640 ( -0.662 -0.606 2.759) 2.901 4.847 ( 1.390 1.792 7.953) 8.270 4.892 ( -2.284 -0.368 4.390) 4.962 4.922 ( 1.663 -0.229 4.059) 4.393 4.968 ( -0.600 -0.869 1.695) 1.997 5.073 ( -0.274 -1.664 1.161) 2.047 5.245 ( 0.008 2.905 -0.496) 2.947 5.369 ( 0.294 -1.080 2.000) 2.292 17.627 ( -0.304 0.334 -0.632) 0.777 17.650 ( 0.279 -0.386 -0.629) 0.789 19.248 ( 0.103 0.121 -2.244) 2.249 19.487 ( -0.315 2.838 0.984) 3.020 19.656 ( 3.280 1.703 0.855) 3.793 20.033 ( 0.555 1.069 0.247) 1.230 20.140 ( -0.098 -0.161 -2.238) 2.246 20.152 ( 0.068 -0.072 -1.829) 1.832 20.643 ( -2.889 -4.381 -2.917) 6.004 22.832 ( -0.102 1.013 -0.486) 1.128 22.986 ( 3.243 3.673 0.716) 4.952 23.153 ( -2.879 -4.121 3.140) 5.927 23.762 ( -0.671 -1.961 -3.507) 4.074 24.176 ( 0.869 0.943 -2.600) 2.899 24.214 ( -1.661 -0.988 -2.818) 3.417 24.750 ( -1.690 -3.305 1.037) 3.854 25.151 ( -1.335 2.244 -0.075) 2.612 25.228 ( 1.899 -0.393 -0.862) 2.122 25.390 ( 0.495 1.750 -0.254) 1.837 25.522 ( 0.339 -0.299 5.497) 5.516 25.796 ( 1.663 1.758 -8.329) 8.673 26.137 ( -0.918 -1.467 -0.125) 1.735 26.224 ( -0.829 -0.383 -0.773) 1.196 26.865 ( -0.331 -1.193 -0.276) 1.268 26.961 ( -1.477 -5.000 -1.607) 5.456 27.107 ( -1.081 -1.223 -1.000) 1.914 28.207 ( 2.644 5.606 -0.312) 6.206 28.769 ( 0.088 0.673 4.642) 4.691 29.043 ( -1.031 -2.842 0.736) 3.112 29.322 ( 0.048 3.422 2.350) 4.151 29.431 ( 0.224 -0.409 0.668) 0.815 29.523 ( 0.303 0.410 2.225) 2.282 29.625 ( 0.967 2.854 -8.338) 8.866 29.897 ( -0.210 -4.409 -5.730) 7.233 30.354 ( 1.073 3.212 -0.336) 3.403 30.628 ( -0.359 -0.696 -3.244) 3.337 ======================= Grid point 268 (55/56) ======================= q-point: (-0.50 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -0.292 0.628 5.682) 5.724 2.618 ( 4.724 3.042 1.900) 5.931 2.729 ( 4.741 -4.148 1.934) 6.590 2.923 ( 2.287 -1.062 1.829) 3.115 3.045 ( -0.308 1.636 3.490) 3.867 3.179 ( -0.685 -0.476 2.188) 2.342 3.243 ( -1.378 0.344 7.288) 7.426 3.348 ( -0.751 -0.235 1.790) 1.956 3.413 ( -0.700 -0.020 2.781) 2.868 3.552 ( -3.513 0.277 -4.612) 5.804 3.692 ( -0.422 -2.702 -2.015) 3.397 3.745 ( -0.930 3.049 -1.838) 3.679 3.995 ( -0.208 2.676 0.422) 2.718 4.061 ( -2.015 -2.296 -0.685) 3.131 4.150 ( 3.325 -1.090 -0.264) 3.509 4.246 ( -1.748 0.178 -5.003) 5.303 4.284 ( 0.751 1.677 0.029) 1.838 4.325 ( -0.108 -2.005 -1.156) 2.317 4.383 ( -0.046 0.192 -2.880) 2.886 4.639 ( 0.766 0.304 2.751) 2.872 4.847 ( -2.355 -0.345 7.791) 8.146 4.887 ( 1.188 1.515 4.812) 5.183 4.933 ( -0.001 -1.726 3.861) 4.229 4.960 ( 0.754 0.595 1.818) 2.056 5.073 ( 1.632 -0.617 0.918) 1.972 5.245 ( -2.507 1.442 -0.402) 2.920 5.369 ( 0.783 -0.794 1.978) 2.271 17.627 ( -0.141 0.430 -0.631) 0.777 17.650 ( 0.198 -0.434 -0.630) 0.790 19.248 ( -0.157 -0.028 -2.241) 2.246 19.487 ( -2.302 1.691 0.980) 3.020 19.656 ( -3.109 -1.991 0.849) 3.788 20.033 ( -1.204 0.053 0.253) 1.231 20.140 ( 0.193 0.005 -2.287) 2.295 20.152 ( 0.020 -0.093 -1.771) 1.774 20.643 ( 5.240 0.310 -2.927) 6.010 22.832 ( -0.828 0.595 -0.488) 1.130 22.987 ( -4.800 -0.977 0.727) 4.952 23.153 ( 5.008 0.437 3.129) 5.922 23.762 ( 2.044 -0.404 -3.489) 4.064 24.174 ( -1.251 -0.187 -2.756) 3.033 24.215 ( 1.685 0.852 -2.679) 3.278 24.750 ( 3.719 -0.194 1.028) 3.864 25.149 ( -1.446 2.233 0.001) 2.660 25.230 ( -0.462 -1.786 -0.931) 2.066 25.390 ( -1.787 0.454 -0.269) 1.863 25.522 ( 0.100 -0.448 5.521) 5.540 25.797 ( -2.318 -0.580 -8.338) 8.673 26.136 ( 1.669 0.097 -0.131) 1.677 26.224 ( 0.789 0.503 -0.764) 1.208 26.866 ( 1.209 -0.316 -0.313) 1.288 26.960 ( 4.992 -1.188 -1.554) 5.362 27.107 ( 1.682 0.293 -1.013) 1.985 28.206 ( -6.232 0.537 -0.325) 6.263 28.769 ( -0.638 0.264 4.664) 4.715 29.047 ( 3.313 -0.662 0.708) 3.452 29.316 ( -3.490 1.848 2.327) 4.584 29.432 ( 0.305 -0.420 0.562) 0.765 29.523 ( -0.555 -0.028 2.257) 2.324 29.629 ( -2.684 0.487 -8.260) 8.698 29.895 ( 3.822 -1.981 -5.683) 7.129 30.354 ( -3.288 0.664 -0.351) 3.372 30.627 ( 0.780 -0.035 -3.242) 3.335 ======================= Grid point 273 (56/56) ======================= q-point: ( 0.33 0.33 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -0.000 -0.000 3.397) 3.397 2.614 ( 0.000 0.000 2.775) 2.775 2.619 ( -0.000 -0.000 3.172) 3.172 2.895 ( 0.000 -0.000 2.149) 2.149 3.062 ( -0.000 -0.000 1.480) 1.480 3.163 ( -0.000 -0.000 6.896) 6.896 3.274 ( -0.000 -0.000 -0.448) 0.448 3.382 ( -0.000 0.000 4.577) 4.577 3.385 ( 0.000 -0.000 9.335) 9.335 3.621 ( 0.000 -0.000 -8.928) 8.928 3.640 ( -0.000 0.000 -3.834) 3.834 3.783 ( 0.000 -0.000 -0.560) 0.560 4.019 ( 0.000 -0.000 -0.430) 0.430 4.063 ( -0.000 0.000 -2.453) 2.453 4.108 ( -0.000 -0.000 1.500) 1.500 4.269 ( -0.000 0.000 1.530) 1.530 4.289 ( 0.000 -0.000 -4.998) 4.998 4.306 ( 0.000 -0.000 -0.877) 0.877 4.383 ( -0.000 -0.000 -3.392) 3.392 4.634 ( -0.000 -0.000 2.257) 2.257 4.878 ( -0.000 -0.000 6.171) 6.171 4.888 ( 0.000 0.000 3.355) 3.355 4.906 ( 0.000 -0.000 8.910) 8.910 4.960 ( -0.000 -0.000 1.269) 1.269 5.055 ( -0.000 -0.000 -0.517) 0.517 5.287 ( -0.000 0.000 -0.400) 0.400 5.347 ( -0.000 -0.000 2.459) 2.459 17.636 ( 0.000 -0.000 -0.480) 0.480 17.640 ( -0.000 0.000 -0.920) 0.920 19.249 ( -0.000 -0.000 -2.047) 2.047 19.525 ( -0.000 -0.000 1.137) 1.137 19.668 ( -0.000 -0.000 0.901) 0.901 20.045 ( -0.000 -0.000 0.653) 0.653 20.138 ( -0.000 -0.000 -2.392) 2.392 20.152 ( -0.000 -0.000 -2.072) 2.072 20.595 ( -0.000 -0.000 -3.021) 3.021 22.845 ( -0.000 -0.000 -0.643) 0.643 23.062 ( 0.000 0.000 1.630) 1.630 23.072 ( -0.000 -0.000 1.923) 1.923 23.738 ( -0.000 -0.000 -2.664) 2.664 24.193 ( -0.000 0.000 -2.373) 2.373 24.200 ( -0.000 -0.000 -3.422) 3.422 24.715 ( -0.000 -0.000 1.045) 1.045 25.192 ( -0.000 -0.000 -2.287) 2.287 25.210 ( 0.000 0.000 1.344) 1.344 25.411 ( -0.000 -0.000 -0.344) 0.344 25.516 ( -0.000 -0.000 5.297) 5.297 25.811 ( 0.000 -0.000 -7.920) 7.920 26.125 ( -0.000 -0.000 0.010) 0.010 26.219 ( -0.000 -0.000 -0.912) 0.912 26.852 ( -0.000 -0.000 -0.703) 0.703 26.902 ( -0.000 -0.000 -1.786) 1.786 27.095 ( -0.000 -0.000 -0.680) 0.680 28.269 ( -0.000 -0.000 -0.744) 0.744 28.777 ( -0.000 -0.000 5.758) 5.758 29.012 ( 0.000 -0.000 1.016) 1.016 29.367 ( -0.000 -0.000 1.750) 1.750 29.428 ( -0.000 -0.000 -0.605) 0.605 29.522 ( 0.000 -0.000 4.873) 4.873 29.660 ( -0.000 -0.000 -8.774) 8.774 29.841 ( 0.000 0.000 -7.190) 7.190 30.389 ( -0.000 -0.000 -0.225) 0.225 30.619 ( -0.000 -0.000 -3.159) 3.159 =================== 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 3/29484 10.0 1775.648 1775.648 1368.862 -0.000 0.000 0.000 3/29484 20.0 356.657 356.657 401.129 0.000 0.000 0.000 3/29484 30.0 118.241 118.241 149.708 0.000 0.000 0.000 3/29484 40.0 61.640 61.640 86.915 -0.000 0.000 0.000 3/29484 50.0 41.533 41.533 63.326 -0.000 0.000 0.000 3/29484 60.0 31.950 31.950 51.277 -0.000 0.000 0.000 3/29484 70.0 26.382 26.382 43.785 -0.000 0.000 0.000 3/29484 80.0 22.689 22.689 38.515 -0.000 0.000 0.000 3/29484 90.0 20.006 20.006 34.500 -0.000 0.000 0.000 3/29484 100.0 17.926 17.926 31.265 -0.000 0.000 0.000 3/29484 110.0 16.235 16.235 28.551 -0.000 0.000 0.000 3/29484 120.0 14.807 14.807 26.203 -0.000 0.000 0.000 3/29484 130.0 13.567 13.567 24.127 -0.000 0.000 0.000 3/29484 140.0 12.471 12.471 22.263 -0.000 0.000 0.000 3/29484 150.0 11.488 11.488 20.574 -0.000 0.000 0.000 3/29484 160.0 10.601 10.601 19.036 -0.000 0.000 0.000 3/29484 170.0 9.796 9.796 17.633 -0.000 0.000 0.000 3/29484 180.0 9.066 9.066 16.353 -0.000 0.000 0.000 3/29484 190.0 8.404 8.404 15.187 -0.000 0.000 0.000 3/29484 200.0 7.803 7.803 14.126 -0.000 0.000 0.000 3/29484 210.0 7.260 7.260 13.161 -0.000 0.000 0.000 3/29484 220.0 6.769 6.769 12.286 -0.000 0.000 0.000 3/29484 230.0 6.324 6.324 11.493 -0.000 0.000 0.000 3/29484 240.0 5.922 5.922 10.773 -0.000 0.000 0.000 3/29484 250.0 5.558 5.558 10.120 -0.000 0.000 0.000 3/29484 260.0 5.229 5.229 9.528 -0.000 0.000 0.000 3/29484 270.0 4.930 4.930 8.990 -0.000 0.000 0.000 3/29484 280.0 4.659 4.659 8.500 -0.000 0.000 0.000 3/29484 290.0 4.412 4.412 8.054 -0.000 0.000 0.000 3/29484 300.0 4.187 4.187 7.647 -0.000 0.000 0.000 3/29484 310.0 3.981 3.981 7.274 -0.000 0.000 0.000 3/29484 320.0 3.793 3.793 6.933 -0.000 0.000 0.000 3/29484 330.0 3.620 3.620 6.620 -0.000 0.000 0.000 3/29484 340.0 3.461 3.461 6.332 -0.000 0.000 0.000 3/29484 350.0 3.314 3.314 6.066 -0.000 0.000 0.000 3/29484 360.0 3.179 3.179 5.820 -0.000 0.000 0.000 3/29484 370.0 3.053 3.053 5.593 -0.000 0.000 0.000 3/29484 380.0 2.937 2.937 5.382 -0.000 0.000 0.000 3/29484 390.0 2.829 2.829 5.185 -0.000 0.000 0.000 3/29484 400.0 2.728 2.728 5.003 -0.000 0.000 0.000 3/29484 410.0 2.634 2.634 4.832 -0.000 0.000 0.000 3/29484 420.0 2.547 2.547 4.673 -0.000 0.000 0.000 3/29484 430.0 2.464 2.464 4.523 -0.000 0.000 0.000 3/29484 440.0 2.387 2.387 4.383 -0.000 0.000 0.000 3/29484 450.0 2.315 2.315 4.251 -0.000 0.000 0.000 3/29484 460.0 2.246 2.246 4.127 -0.000 0.000 0.000 3/29484 470.0 2.182 2.182 4.010 -0.000 0.000 0.000 3/29484 480.0 2.121 2.121 3.900 -0.000 0.000 0.000 3/29484 490.0 2.064 2.064 3.795 -0.000 0.000 0.000 3/29484 500.0 2.010 2.010 3.697 -0.000 0.000 0.000 3/29484 510.0 1.958 1.958 3.603 -0.000 0.000 0.000 3/29484 520.0 1.909 1.909 3.514 -0.000 0.000 0.000 3/29484 530.0 1.863 1.863 3.429 -0.000 0.000 0.000 3/29484 540.0 1.818 1.818 3.349 -0.000 0.000 0.000 3/29484 550.0 1.776 1.776 3.272 -0.000 0.000 0.000 3/29484 560.0 1.736 1.736 3.199 -0.000 0.000 0.000 3/29484 570.0 1.698 1.698 3.129 -0.000 0.000 0.000 3/29484 580.0 1.661 1.661 3.062 -0.000 0.000 0.000 3/29484 590.0 1.626 1.626 2.998 -0.000 0.000 0.000 3/29484 600.0 1.592 1.592 2.937 -0.000 0.000 0.000 3/29484 610.0 1.560 1.560 2.878 -0.000 0.000 0.000 3/29484 620.0 1.529 1.529 2.822 -0.000 0.000 0.000 3/29484 630.0 1.500 1.500 2.768 -0.000 0.000 0.000 3/29484 640.0 1.471 1.471 2.716 -0.000 0.000 0.000 3/29484 650.0 1.444 1.444 2.666 -0.000 0.000 0.000 3/29484 660.0 1.417 1.417 2.618 -0.000 0.000 0.000 3/29484 670.0 1.392 1.392 2.572 -0.000 0.000 0.000 3/29484 680.0 1.368 1.368 2.527 -0.000 0.000 0.000 3/29484 690.0 1.344 1.344 2.484 -0.000 0.000 0.000 3/29484 700.0 1.321 1.321 2.442 -0.000 0.000 0.000 3/29484 710.0 1.299 1.299 2.402 -0.000 0.000 0.000 3/29484 720.0 1.278 1.278 2.364 -0.000 0.000 0.000 3/29484 730.0 1.258 1.258 2.326 -0.000 0.000 0.000 3/29484 740.0 1.238 1.238 2.290 -0.000 0.000 0.000 3/29484 750.0 1.219 1.219 2.255 -0.000 0.000 0.000 3/29484 760.0 1.200 1.200 2.221 -0.000 0.000 0.000 3/29484 770.0 1.182 1.182 2.188 -0.000 0.000 0.000 3/29484 780.0 1.165 1.165 2.156 -0.000 0.000 0.000 3/29484 790.0 1.148 1.148 2.125 -0.000 0.000 0.000 3/29484 800.0 1.131 1.131 2.095 -0.000 0.000 0.000 3/29484 810.0 1.115 1.115 2.065 -0.000 0.000 0.000 3/29484 820.0 1.100 1.100 2.037 -0.000 0.000 0.000 3/29484 830.0 1.085 1.085 2.009 -0.000 0.000 0.000 3/29484 840.0 1.070 1.070 1.983 -0.000 0.000 0.000 3/29484 850.0 1.056 1.056 1.957 -0.000 0.000 0.000 3/29484 860.0 1.042 1.042 1.931 -0.000 0.000 0.000 3/29484 870.0 1.029 1.029 1.906 -0.000 0.000 0.000 3/29484 880.0 1.015 1.015 1.882 -0.000 0.000 0.000 3/29484 890.0 1.003 1.003 1.859 -0.000 0.000 0.000 3/29484 900.0 0.990 0.990 1.836 -0.000 0.000 0.000 3/29484 910.0 0.978 0.978 1.814 -0.000 0.000 0.000 3/29484 920.0 0.966 0.966 1.792 -0.000 0.000 0.000 3/29484 930.0 0.955 0.955 1.771 -0.000 0.000 0.000 3/29484 940.0 0.943 0.943 1.750 -0.000 0.000 0.000 3/29484 950.0 0.932 0.932 1.730 -0.000 0.000 0.000 3/29484 960.0 0.922 0.922 1.710 -0.000 0.000 0.000 3/29484 970.0 0.911 0.911 1.691 -0.000 0.000 0.000 3/29484 980.0 0.901 0.901 1.672 -0.000 0.000 0.000 3/29484 990.0 0.891 0.891 1.654 -0.000 0.000 0.000 3/29484 1000.0 0.881 0.881 1.636 -0.000 0.000 0.000 3/29484 Thermal conductivity related properties were written into "kappa-m6613.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:41:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|