----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:09:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.294621042411809 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274349500000000 0.000000000000000 c -0.235729734638843 0.000000000000000 6.103523197920079 Atomic positions (fractional): *1 Li 0.43446674921781 0.25000000000000 0.58168582213056 6.941 2 Li 0.56553325078219 0.75000000000000 0.41831417786944 6.941 *3 Li 0.10549668537601 0.25000000000000 0.83571374761296 6.941 4 Li 0.89450331462399 0.75000000000000 0.16428625238704 6.941 *5 Li 0.84911104573019 0.48441935518869 0.64674937827006 6.941 6 Li 0.15088895426981 0.98441935518869 0.35325062172994 6.941 7 Li 0.15088895426981 0.51558064481131 0.35325062172994 6.941 8 Li 0.84911104573019 0.01558064481131 0.64674937827006 6.941 *9 H 0.65279187419696 0.25000000000000 0.89551542803119 1.008 10 H 0.34720812580304 0.75000000000000 0.10448457196881 1.008 *11 H 0.68207338528606 0.45728164384449 0.26304630108174 1.008 12 H 0.31792661471394 0.95728164384449 0.73695369891826 1.008 13 H 0.31792661471394 0.54271835615551 0.73695369891826 1.008 14 H 0.68207338528606 0.04271835615551 0.26304630108174 1.008 *15 Cl 0.34839441150034 0.25000000000000 0.17653714394924 35.453 16 Cl 0.65160558849966 0.75000000000000 0.82346285605075 35.453 *17 O 0.74700802944040 0.25000000000000 0.76047806208265 15.999 18 O 0.25299197055960 0.75000000000000 0.23952193791735 15.999 *19 O 0.21382088997922 0.45239594296588 0.65645650640092 15.999 20 O 0.78617911002078 0.95239594296588 0.34354349359908 15.999 21 O 0.78617911002078 0.54760405703412 0.34354349359908 15.999 22 O 0.21382088997922 0.04760405703412 0.65645650640092 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.294621042411809 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274349500000000 0.000000000000000 c -0.235729734638843 0.000000000000000 6.103523197920079 Atomic positions (fractional): *1 Li 0.43446674921781 0.25000000000000 0.58168582213056 6.941 > 1 2 Li 0.56553325078219 0.75000000000000 0.41831417786944 6.941 > 2 *3 Li 0.10549668537601 0.25000000000000 0.83571374761296 6.941 > 3 4 Li 0.89450331462399 0.75000000000000 0.16428625238704 6.941 > 4 *5 Li 0.84911104573019 0.48441935518869 0.64674937827006 6.941 > 5 6 Li 0.15088895426981 0.98441935518869 0.35325062172994 6.941 > 6 7 Li 0.15088895426981 0.51558064481131 0.35325062172994 6.941 > 7 8 Li 0.84911104573019 0.01558064481131 0.64674937827006 6.941 > 8 *9 H 0.65279187419696 0.25000000000000 0.89551542803119 1.008 > 9 10 H 0.34720812580304 0.75000000000000 0.10448457196881 1.008 > 10 *11 H 0.68207338528606 0.45728164384449 0.26304630108174 1.008 > 11 12 H 0.31792661471394 0.95728164384449 0.73695369891826 1.008 > 12 13 H 0.31792661471394 0.54271835615551 0.73695369891826 1.008 > 13 14 H 0.68207338528606 0.04271835615551 0.26304630108174 1.008 > 14 *15 Cl 0.34839441150034 0.25000000000000 0.17653714394924 35.453 > 15 16 Cl 0.65160558849966 0.75000000000000 0.82346285605075 35.453 > 16 *17 O 0.74700802944040 0.25000000000000 0.76047806208265 15.999 > 17 18 O 0.25299197055960 0.75000000000000 0.23952193791735 15.999 > 18 *19 O 0.21382088997922 0.45239594296588 0.65645650640092 15.999 > 19 20 O 0.78617911002078 0.95239594296588 0.34354349359908 15.999 > 20 21 O 0.78617911002078 0.54760405703412 0.34354349359908 15.999 > 21 22 O 0.21382088997922 0.04760405703412 0.65645650640092 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.589242084823619 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274349500000000 0.000000000000000 c -0.471459469277686 0.000000000000000 12.207046395840157 Atomic positions (fractional): *1 Li 0.21723337460891 0.25000000000000 0.29084291106528 6.941 > 1 2 Li 0.71723337460891 0.25000000000000 0.29084291106528 6.941 > 1 3 Li 0.21723337460891 0.25000000000000 0.79084291106528 6.941 > 1 4 Li 0.71723337460891 0.25000000000000 0.79084291106528 6.941 > 1 5 Li 0.28276662539109 0.75000000000000 0.20915708893472 6.941 > 2 6 Li 0.78276662539109 0.75000000000000 0.20915708893472 6.941 > 2 7 Li 0.28276662539109 0.75000000000000 0.70915708893472 6.941 > 2 8 Li 0.78276662539109 0.75000000000000 0.70915708893472 6.941 > 2 *9 Li 0.05274834268801 0.25000000000000 0.41785687380648 6.941 > 3 10 Li 0.55274834268801 0.25000000000000 0.41785687380648 6.941 > 3 11 Li 0.05274834268801 0.25000000000000 0.91785687380648 6.941 > 3 12 Li 0.55274834268801 0.25000000000000 0.91785687380648 6.941 > 3 13 Li 0.44725165731199 0.75000000000000 0.08214312619352 6.941 > 4 14 Li 0.94725165731199 0.75000000000000 0.08214312619352 6.941 > 4 15 Li 0.44725165731199 0.75000000000000 0.58214312619352 6.941 > 4 16 Li 0.94725165731199 0.75000000000000 0.58214312619352 6.941 > 4 *17 Li 0.42455552286509 0.48441935518869 0.32337468913503 6.941 > 5 18 Li 0.92455552286509 0.48441935518869 0.32337468913503 6.941 > 5 19 Li 0.42455552286509 0.48441935518869 0.82337468913503 6.941 > 5 20 Li 0.92455552286509 0.48441935518869 0.82337468913503 6.941 > 5 21 Li 0.07544447713491 0.98441935518869 0.17662531086497 6.941 > 6 22 Li 0.57544447713491 0.98441935518869 0.17662531086497 6.941 > 6 23 Li 0.07544447713491 0.98441935518869 0.67662531086497 6.941 > 6 24 Li 0.57544447713491 0.98441935518869 0.67662531086497 6.941 > 6 25 Li 0.07544447713491 0.51558064481131 0.17662531086497 6.941 > 7 26 Li 0.57544447713491 0.51558064481131 0.17662531086497 6.941 > 7 27 Li 0.07544447713491 0.51558064481131 0.67662531086497 6.941 > 7 28 Li 0.57544447713491 0.51558064481131 0.67662531086497 6.941 > 7 29 Li 0.42455552286509 0.01558064481131 0.32337468913503 6.941 > 8 30 Li 0.92455552286509 0.01558064481131 0.32337468913503 6.941 > 8 31 Li 0.42455552286509 0.01558064481131 0.82337468913503 6.941 > 8 32 Li 0.92455552286509 0.01558064481131 0.82337468913503 6.941 > 8 *33 H 0.32639593709848 0.25000000000000 0.44775771401559 1.008 > 9 34 H 0.82639593709848 0.25000000000000 0.44775771401559 1.008 > 9 35 H 0.32639593709848 0.25000000000000 0.94775771401559 1.008 > 9 36 H 0.82639593709848 0.25000000000000 0.94775771401559 1.008 > 9 37 H 0.17360406290152 0.75000000000000 0.05224228598441 1.008 > 10 38 H 0.67360406290152 0.75000000000000 0.05224228598441 1.008 > 10 39 H 0.17360406290152 0.75000000000000 0.55224228598441 1.008 > 10 40 H 0.67360406290152 0.75000000000000 0.55224228598441 1.008 > 10 *41 H 0.34103669264303 0.45728164384449 0.13152315054087 1.008 > 11 42 H 0.84103669264303 0.45728164384449 0.13152315054087 1.008 > 11 43 H 0.34103669264303 0.45728164384449 0.63152315054087 1.008 > 11 44 H 0.84103669264303 0.45728164384449 0.63152315054087 1.008 > 11 45 H 0.15896330735697 0.95728164384449 0.36847684945913 1.008 > 12 46 H 0.65896330735697 0.95728164384449 0.36847684945913 1.008 > 12 47 H 0.15896330735697 0.95728164384449 0.86847684945913 1.008 > 12 48 H 0.65896330735697 0.95728164384449 0.86847684945913 1.008 > 12 49 H 0.15896330735697 0.54271835615551 0.36847684945913 1.008 > 13 50 H 0.65896330735697 0.54271835615551 0.36847684945913 1.008 > 13 51 H 0.15896330735697 0.54271835615551 0.86847684945913 1.008 > 13 52 H 0.65896330735697 0.54271835615551 0.86847684945913 1.008 > 13 53 H 0.34103669264303 0.04271835615551 0.13152315054087 1.008 > 14 54 H 0.84103669264303 0.04271835615551 0.13152315054087 1.008 > 14 55 H 0.34103669264303 0.04271835615551 0.63152315054087 1.008 > 14 56 H 0.84103669264303 0.04271835615551 0.63152315054087 1.008 > 14 *57 Cl 0.17419720575017 0.25000000000000 0.08826857197462 35.453 > 15 58 Cl 0.67419720575017 0.25000000000000 0.08826857197462 35.453 > 15 59 Cl 0.17419720575017 0.25000000000000 0.58826857197462 35.453 > 15 60 Cl 0.67419720575017 0.25000000000000 0.58826857197462 35.453 > 15 61 Cl 0.32580279424983 0.75000000000000 0.41173142802538 35.453 > 16 62 Cl 0.82580279424983 0.75000000000000 0.41173142802538 35.453 > 16 63 Cl 0.32580279424983 0.75000000000000 0.91173142802538 35.453 > 16 64 Cl 0.82580279424983 0.75000000000000 0.91173142802538 35.453 > 16 *65 O 0.37350401472020 0.25000000000000 0.38023903104133 15.999 > 17 66 O 0.87350401472020 0.25000000000000 0.38023903104133 15.999 > 17 67 O 0.37350401472020 0.25000000000000 0.88023903104133 15.999 > 17 68 O 0.87350401472020 0.25000000000000 0.88023903104133 15.999 > 17 69 O 0.12649598527980 0.75000000000000 0.11976096895867 15.999 > 18 70 O 0.62649598527980 0.75000000000000 0.11976096895867 15.999 > 18 71 O 0.12649598527980 0.75000000000000 0.61976096895867 15.999 > 18 72 O 0.62649598527980 0.75000000000000 0.61976096895867 15.999 > 18 *73 O 0.10691044498961 0.45239594296588 0.32822825320046 15.999 > 19 74 O 0.60691044498961 0.45239594296588 0.32822825320046 15.999 > 19 75 O 0.10691044498961 0.45239594296588 0.82822825320046 15.999 > 19 76 O 0.60691044498961 0.45239594296588 0.82822825320046 15.999 > 19 77 O 0.39308955501039 0.95239594296588 0.17177174679954 15.999 > 20 78 O 0.89308955501039 0.95239594296588 0.17177174679954 15.999 > 20 79 O 0.39308955501039 0.95239594296588 0.67177174679954 15.999 > 20 80 O 0.89308955501039 0.95239594296588 0.67177174679954 15.999 > 20 81 O 0.39308955501039 0.54760405703412 0.17177174679954 15.999 > 21 82 O 0.89308955501039 0.54760405703412 0.17177174679954 15.999 > 21 83 O 0.39308955501039 0.54760405703412 0.67177174679954 15.999 > 21 84 O 0.89308955501039 0.54760405703412 0.67177174679954 15.999 > 21 85 O 0.10691044498961 0.04760405703412 0.32822825320046 15.999 > 22 86 O 0.60691044498961 0.04760405703412 0.32822825320046 15.999 > 22 87 O 0.10691044498961 0.04760405703412 0.82822825320046 15.999 > 22 88 O 0.60691044498961 0.04760405703412 0.82822825320046 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4291451 0.0000000 -0.0269254 0.0000000 2.4108211 0.0000000 -0.0269267 0.0000000 2.4264735 -------------------------- Born effective charges -------------------------- 1 Li 0.8536837 0.0000000 0.0137710 0.0000000 0.9382668 0.0000000 0.0302232 0.0000000 1.0903619 2 Li 0.8536837 0.0000000 0.0137710 0.0000000 0.9382668 0.0000000 0.0302232 0.0000000 1.0903619 3 Li 1.0098562 0.0000000 0.0978114 0.0000000 0.8733739 0.0000000 0.0881313 0.0000000 0.9941758 4 Li 1.0098562 0.0000000 0.0978114 0.0000000 0.8733739 0.0000000 0.0881313 0.0000000 0.9941758 5 Li 1.0122640 -0.1058281 -0.0455728 -0.0693898 0.9821624 0.0263575 -0.0527179 -0.0206783 0.8966871 6 Li 1.0122640 0.1058281 -0.0455728 0.0693898 0.9821624 -0.0263575 -0.0527179 0.0206783 0.8966871 7 Li 1.0122640 -0.1058281 -0.0455728 -0.0693898 0.9821624 0.0263575 -0.0527179 -0.0206783 0.8966871 8 Li 1.0122640 0.1058281 -0.0455728 0.0693898 0.9821624 -0.0263575 -0.0527179 0.0206783 0.8966871 9 H 0.4234674 0.0000000 -0.1144534 0.0000000 0.3335560 0.0000000 -0.1468317 0.0000000 0.4280268 10 H 0.4234674 0.0000000 -0.1144534 0.0000000 0.3335560 0.0000000 -0.1468317 0.0000000 0.4280268 11 H 0.4465076 0.1182440 0.0334931 0.1387999 0.4251020 -0.0008502 0.0420246 -0.0060063 0.2935861 12 H 0.4465076 -0.1182440 0.0334931 -0.1387999 0.4251020 0.0008502 0.0420246 0.0060063 0.2935861 13 H 0.4465076 0.1182440 0.0334931 0.1387999 0.4251020 -0.0008502 0.0420246 -0.0060063 0.2935861 14 H 0.4465076 -0.1182440 0.0334931 -0.1387999 0.4251020 0.0008502 0.0420246 0.0060063 0.2935861 15 Cl -1.0196588 0.0000000 -0.0018037 0.0000000 -0.9855968 0.0000000 -0.0227384 0.0000000 -1.0932427 16 Cl -1.0196588 0.0000000 -0.0018037 0.0000000 -0.9855968 0.0000000 -0.0227384 0.0000000 -1.0932427 17 O -1.4011804 0.0000000 -0.0395122 0.0000000 -1.3676732 0.0000000 0.0292295 0.0000000 -1.1768636 18 O -1.4011804 0.0000000 -0.0395122 0.0000000 -1.3676732 0.0000000 0.0292295 0.0000000 -1.1768636 19 O -1.3918557 0.0273265 0.0341730 0.0008946 -1.3032279 0.0825787 0.0216863 0.0742648 -1.3115022 20 O -1.3918557 -0.0273265 0.0341730 -0.0008946 -1.3032279 -0.0825787 0.0216863 -0.0742648 -1.3115022 21 O -1.3918557 0.0273265 0.0341730 0.0008946 -1.3032279 0.0825787 0.0216863 0.0742648 -1.3115022 22 O -1.3918557 -0.0273265 0.0341730 -0.0008946 -1.3032279 -0.0825787 0.0216863 -0.0742648 -1.3115022 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2360 Number of blocks in projector: 2360 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 235 eigenvectors found. (2) Block: 500 / 584 (2) 237 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2360, 2309), data: False |-- (336, 328), data: True |-- (336, 328), data: True |-- (336, 328), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 569), data: False |-- (584, 569), data: False |-- (584, 20), data: (584, 35) @ (35, 20) |-- (84, 77), data: True |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.583 Solver_block: 200 / 720 - Time: 0.504 Solver_block: 300 / 720 - Time: 0.499 Solver_block: 400 / 720 - Time: 0.500 Solver_block: 500 / 720 - Time: 0.496 Solver_block: 600 / 720 - Time: 0.500 Solver_block: 700 / 720 - Time: 0.501 Solver_block: 720 / 720 - Time: 0.199 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.867 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2360 Number of blocks in projector: 2360 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 235 eigenvectors found. (2) Block: 500 / 584 (2) 237 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2360, 2309), data: False |-- (336, 328), data: True |-- (336, 328), data: True |-- (336, 328), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 569), data: False |-- (584, 569), data: False |-- (584, 20), data: (584, 35) @ (35, 20) |-- (84, 77), data: True |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:10:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:10:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.294621042411809 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274349500000000 0.000000000000000 c -0.235729734638843 0.000000000000000 6.103523197920079 Atomic positions (fractional): 1 Li 0.43446674921781 0.25000000000000 0.58168582213056 6.941 2 Li 0.56553325078219 0.75000000000000 0.41831417786944 6.941 3 Li 0.10549668537601 0.25000000000000 0.83571374761296 6.941 4 Li 0.89450331462399 0.75000000000000 0.16428625238704 6.941 5 Li 0.84911104573019 0.48441935518869 0.64674937827006 6.941 6 Li 0.15088895426981 0.98441935518869 0.35325062172994 6.941 7 Li 0.15088895426981 0.51558064481131 0.35325062172994 6.941 8 Li 0.84911104573019 0.01558064481131 0.64674937827006 6.941 9 H 0.65279187419696 0.25000000000000 0.89551542803119 1.008 10 H 0.34720812580304 0.75000000000000 0.10448457196881 1.008 11 H 0.68207338528606 0.45728164384449 0.26304630108174 1.008 12 H 0.31792661471394 0.95728164384449 0.73695369891826 1.008 13 H 0.31792661471394 0.54271835615551 0.73695369891826 1.008 14 H 0.68207338528606 0.04271835615551 0.26304630108174 1.008 15 Cl 0.34839441150034 0.25000000000000 0.17653714394924 35.453 16 Cl 0.65160558849966 0.75000000000000 0.82346285605075 35.453 17 O 0.74700802944040 0.25000000000000 0.76047806208265 15.999 18 O 0.25299197055960 0.75000000000000 0.23952193791735 15.999 19 O 0.21382088997922 0.45239594296588 0.65645650640092 15.999 20 O 0.78617911002078 0.95239594296588 0.34354349359908 15.999 21 O 0.78617911002078 0.54760405703412 0.34354349359908 15.999 22 O 0.21382088997922 0.04760405703412 0.65645650640092 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.589242084823619 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274349500000000 0.000000000000000 c -0.471459469277686 0.000000000000000 12.207046395840157 Atomic positions (fractional): 1 Li 0.21723337460891 0.25000000000000 0.29084291106528 6.941 > 1 2 Li 0.71723337460891 0.25000000000000 0.29084291106528 6.941 > 1 3 Li 0.21723337460891 0.25000000000000 0.79084291106528 6.941 > 1 4 Li 0.71723337460891 0.25000000000000 0.79084291106528 6.941 > 1 5 Li 0.28276662539109 0.75000000000000 0.20915708893472 6.941 > 5 6 Li 0.78276662539109 0.75000000000000 0.20915708893472 6.941 > 5 7 Li 0.28276662539109 0.75000000000000 0.70915708893472 6.941 > 5 8 Li 0.78276662539109 0.75000000000000 0.70915708893472 6.941 > 5 9 Li 0.05274834268801 0.25000000000000 0.41785687380648 6.941 > 9 10 Li 0.55274834268801 0.25000000000000 0.41785687380648 6.941 > 9 11 Li 0.05274834268801 0.25000000000000 0.91785687380648 6.941 > 9 12 Li 0.55274834268801 0.25000000000000 0.91785687380648 6.941 > 9 13 Li 0.44725165731199 0.75000000000000 0.08214312619352 6.941 > 13 14 Li 0.94725165731199 0.75000000000000 0.08214312619352 6.941 > 13 15 Li 0.44725165731199 0.75000000000000 0.58214312619352 6.941 > 13 16 Li 0.94725165731199 0.75000000000000 0.58214312619352 6.941 > 13 17 Li 0.42455552286509 0.48441935518869 0.32337468913503 6.941 > 17 18 Li 0.92455552286509 0.48441935518869 0.32337468913503 6.941 > 17 19 Li 0.42455552286509 0.48441935518869 0.82337468913503 6.941 > 17 20 Li 0.92455552286509 0.48441935518869 0.82337468913503 6.941 > 17 21 Li 0.07544447713491 0.98441935518869 0.17662531086497 6.941 > 21 22 Li 0.57544447713491 0.98441935518869 0.17662531086497 6.941 > 21 23 Li 0.07544447713491 0.98441935518869 0.67662531086497 6.941 > 21 24 Li 0.57544447713491 0.98441935518869 0.67662531086497 6.941 > 21 25 Li 0.07544447713491 0.51558064481131 0.17662531086497 6.941 > 25 26 Li 0.57544447713491 0.51558064481131 0.17662531086497 6.941 > 25 27 Li 0.07544447713491 0.51558064481131 0.67662531086497 6.941 > 25 28 Li 0.57544447713491 0.51558064481131 0.67662531086497 6.941 > 25 29 Li 0.42455552286509 0.01558064481131 0.32337468913503 6.941 > 29 30 Li 0.92455552286509 0.01558064481131 0.32337468913503 6.941 > 29 31 Li 0.42455552286509 0.01558064481131 0.82337468913503 6.941 > 29 32 Li 0.92455552286509 0.01558064481131 0.82337468913503 6.941 > 29 33 H 0.32639593709848 0.25000000000000 0.44775771401559 1.008 > 33 34 H 0.82639593709848 0.25000000000000 0.44775771401559 1.008 > 33 35 H 0.32639593709848 0.25000000000000 0.94775771401559 1.008 > 33 36 H 0.82639593709848 0.25000000000000 0.94775771401559 1.008 > 33 37 H 0.17360406290152 0.75000000000000 0.05224228598441 1.008 > 37 38 H 0.67360406290152 0.75000000000000 0.05224228598441 1.008 > 37 39 H 0.17360406290152 0.75000000000000 0.55224228598441 1.008 > 37 40 H 0.67360406290152 0.75000000000000 0.55224228598441 1.008 > 37 41 H 0.34103669264303 0.45728164384449 0.13152315054087 1.008 > 41 42 H 0.84103669264303 0.45728164384449 0.13152315054087 1.008 > 41 43 H 0.34103669264303 0.45728164384449 0.63152315054087 1.008 > 41 44 H 0.84103669264303 0.45728164384449 0.63152315054087 1.008 > 41 45 H 0.15896330735697 0.95728164384449 0.36847684945913 1.008 > 45 46 H 0.65896330735697 0.95728164384449 0.36847684945913 1.008 > 45 47 H 0.15896330735697 0.95728164384449 0.86847684945913 1.008 > 45 48 H 0.65896330735697 0.95728164384449 0.86847684945913 1.008 > 45 49 H 0.15896330735697 0.54271835615551 0.36847684945913 1.008 > 49 50 H 0.65896330735697 0.54271835615551 0.36847684945913 1.008 > 49 51 H 0.15896330735697 0.54271835615551 0.86847684945913 1.008 > 49 52 H 0.65896330735697 0.54271835615551 0.86847684945913 1.008 > 49 53 H 0.34103669264303 0.04271835615551 0.13152315054087 1.008 > 53 54 H 0.84103669264303 0.04271835615551 0.13152315054087 1.008 > 53 55 H 0.34103669264303 0.04271835615551 0.63152315054087 1.008 > 53 56 H 0.84103669264303 0.04271835615551 0.63152315054087 1.008 > 53 57 Cl 0.17419720575017 0.25000000000000 0.08826857197462 35.453 > 57 58 Cl 0.67419720575017 0.25000000000000 0.08826857197462 35.453 > 57 59 Cl 0.17419720575017 0.25000000000000 0.58826857197462 35.453 > 57 60 Cl 0.67419720575017 0.25000000000000 0.58826857197462 35.453 > 57 61 Cl 0.32580279424983 0.75000000000000 0.41173142802538 35.453 > 61 62 Cl 0.82580279424983 0.75000000000000 0.41173142802538 35.453 > 61 63 Cl 0.32580279424983 0.75000000000000 0.91173142802538 35.453 > 61 64 Cl 0.82580279424983 0.75000000000000 0.91173142802538 35.453 > 61 65 O 0.37350401472020 0.25000000000000 0.38023903104133 15.999 > 65 66 O 0.87350401472020 0.25000000000000 0.38023903104133 15.999 > 65 67 O 0.37350401472020 0.25000000000000 0.88023903104133 15.999 > 65 68 O 0.87350401472020 0.25000000000000 0.88023903104133 15.999 > 65 69 O 0.12649598527980 0.75000000000000 0.11976096895867 15.999 > 69 70 O 0.62649598527980 0.75000000000000 0.11976096895867 15.999 > 69 71 O 0.12649598527980 0.75000000000000 0.61976096895867 15.999 > 69 72 O 0.62649598527980 0.75000000000000 0.61976096895867 15.999 > 69 73 O 0.10691044498961 0.45239594296588 0.32822825320046 15.999 > 73 74 O 0.60691044498961 0.45239594296588 0.32822825320046 15.999 > 73 75 O 0.10691044498961 0.45239594296588 0.82822825320046 15.999 > 73 76 O 0.60691044498961 0.45239594296588 0.82822825320046 15.999 > 73 77 O 0.39308955501039 0.95239594296588 0.17177174679954 15.999 > 77 78 O 0.89308955501039 0.95239594296588 0.17177174679954 15.999 > 77 79 O 0.39308955501039 0.95239594296588 0.67177174679954 15.999 > 77 80 O 0.89308955501039 0.95239594296588 0.67177174679954 15.999 > 77 81 O 0.39308955501039 0.54760405703412 0.17177174679954 15.999 > 81 82 O 0.89308955501039 0.54760405703412 0.17177174679954 15.999 > 81 83 O 0.39308955501039 0.54760405703412 0.67177174679954 15.999 > 81 84 O 0.89308955501039 0.54760405703412 0.67177174679954 15.999 > 81 85 O 0.10691044498961 0.04760405703412 0.32822825320046 15.999 > 85 86 O 0.60691044498961 0.04760405703412 0.32822825320046 15.999 > 85 87 O 0.10691044498961 0.04760405703412 0.82822825320046 15.999 > 85 88 O 0.60691044498961 0.04760405703412 0.82822825320046 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4291451 0.0000000 -0.0269254 0.0000000 2.4108211 0.0000000 -0.0269267 0.0000000 2.4264735 -------------------------- Born effective charges -------------------------- 1 Li 0.8536837 0.0000000 0.0137710 0.0000000 0.9382668 0.0000000 0.0302232 0.0000000 1.0903619 2 Li 0.8536837 0.0000000 0.0137710 0.0000000 0.9382668 0.0000000 0.0302232 0.0000000 1.0903619 3 Li 1.0098562 0.0000000 0.0978114 0.0000000 0.8733739 0.0000000 0.0881313 0.0000000 0.9941758 4 Li 1.0098562 0.0000000 0.0978114 0.0000000 0.8733739 0.0000000 0.0881313 0.0000000 0.9941758 5 Li 1.0122640 -0.1058281 -0.0455728 -0.0693898 0.9821624 0.0263575 -0.0527179 -0.0206783 0.8966871 6 Li 1.0122640 0.1058281 -0.0455728 0.0693898 0.9821624 -0.0263575 -0.0527179 0.0206783 0.8966871 7 Li 1.0122640 -0.1058281 -0.0455728 -0.0693898 0.9821624 0.0263575 -0.0527179 -0.0206783 0.8966871 8 Li 1.0122640 0.1058281 -0.0455728 0.0693898 0.9821624 -0.0263575 -0.0527179 0.0206783 0.8966871 9 H 0.4234674 0.0000000 -0.1144534 0.0000000 0.3335560 0.0000000 -0.1468317 0.0000000 0.4280268 10 H 0.4234674 0.0000000 -0.1144534 0.0000000 0.3335560 0.0000000 -0.1468317 0.0000000 0.4280268 11 H 0.4465076 0.1182440 0.0334931 0.1387999 0.4251020 -0.0008502 0.0420246 -0.0060063 0.2935861 12 H 0.4465076 -0.1182440 0.0334931 -0.1387999 0.4251020 0.0008502 0.0420246 0.0060063 0.2935861 13 H 0.4465076 0.1182440 0.0334931 0.1387999 0.4251020 -0.0008502 0.0420246 -0.0060063 0.2935861 14 H 0.4465076 -0.1182440 0.0334931 -0.1387999 0.4251020 0.0008502 0.0420246 0.0060063 0.2935861 15 Cl -1.0196588 0.0000000 -0.0018037 0.0000000 -0.9855968 0.0000000 -0.0227384 0.0000000 -1.0932427 16 Cl -1.0196588 0.0000000 -0.0018037 0.0000000 -0.9855968 0.0000000 -0.0227384 0.0000000 -1.0932427 17 O -1.4011804 0.0000000 -0.0395122 0.0000000 -1.3676732 0.0000000 0.0292295 0.0000000 -1.1768636 18 O -1.4011804 0.0000000 -0.0395122 0.0000000 -1.3676732 0.0000000 0.0292295 0.0000000 -1.1768636 19 O -1.3918557 0.0273265 0.0341730 0.0008946 -1.3032279 0.0825787 0.0216863 0.0742648 -1.3115022 20 O -1.3918557 -0.0273265 0.0341730 -0.0008946 -1.3032279 -0.0825787 0.0216863 -0.0742648 -1.3115022 21 O -1.3918557 0.0273265 0.0341730 0.0008946 -1.3032279 0.0825787 0.0216863 0.0742648 -1.3115022 22 O -1.3918557 -0.0273265 0.0341730 -0.0008946 -1.3032279 -0.0825787 0.0216863 -0.0742648 -1.3115022 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000036 (zzz) -0.00000036 (zzz) -0.00000036 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000010 (xz) 0.00000010 (xz) 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 21:10:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:10:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.294621042411809 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274349500000000 0.000000000000000 c -0.235729734638843 0.000000000000000 6.103523197920079 Atomic positions (fractional): 1 Li 0.43446674921781 0.25000000000000 0.58168582213056 6.941 2 Li 0.56553325078219 0.75000000000000 0.41831417786944 6.941 3 Li 0.10549668537601 0.25000000000000 0.83571374761296 6.941 4 Li 0.89450331462399 0.75000000000000 0.16428625238704 6.941 5 Li 0.84911104573019 0.48441935518869 0.64674937827006 6.941 6 Li 0.15088895426981 0.98441935518869 0.35325062172994 6.941 7 Li 0.15088895426981 0.51558064481131 0.35325062172994 6.941 8 Li 0.84911104573019 0.01558064481131 0.64674937827006 6.941 9 H 0.65279187419696 0.25000000000000 0.89551542803119 1.008 10 H 0.34720812580304 0.75000000000000 0.10448457196881 1.008 11 H 0.68207338528606 0.45728164384449 0.26304630108174 1.008 12 H 0.31792661471394 0.95728164384449 0.73695369891826 1.008 13 H 0.31792661471394 0.54271835615551 0.73695369891826 1.008 14 H 0.68207338528606 0.04271835615551 0.26304630108174 1.008 15 Cl 0.34839441150034 0.25000000000000 0.17653714394924 35.453 16 Cl 0.65160558849966 0.75000000000000 0.82346285605075 35.453 17 O 0.74700802944040 0.25000000000000 0.76047806208265 15.999 18 O 0.25299197055960 0.75000000000000 0.23952193791735 15.999 19 O 0.21382088997922 0.45239594296588 0.65645650640092 15.999 20 O 0.78617911002078 0.95239594296588 0.34354349359908 15.999 21 O 0.78617911002078 0.54760405703412 0.34354349359908 15.999 22 O 0.21382088997922 0.04760405703412 0.65645650640092 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.589242084823619 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274349500000000 0.000000000000000 c -0.471459469277686 0.000000000000000 12.207046395840157 Atomic positions (fractional): 1 Li 0.21723337460891 0.25000000000000 0.29084291106528 6.941 > 1 2 Li 0.71723337460891 0.25000000000000 0.29084291106528 6.941 > 1 3 Li 0.21723337460891 0.25000000000000 0.79084291106528 6.941 > 1 4 Li 0.71723337460891 0.25000000000000 0.79084291106528 6.941 > 1 5 Li 0.28276662539109 0.75000000000000 0.20915708893472 6.941 > 5 6 Li 0.78276662539109 0.75000000000000 0.20915708893472 6.941 > 5 7 Li 0.28276662539109 0.75000000000000 0.70915708893472 6.941 > 5 8 Li 0.78276662539109 0.75000000000000 0.70915708893472 6.941 > 5 9 Li 0.05274834268801 0.25000000000000 0.41785687380648 6.941 > 9 10 Li 0.55274834268801 0.25000000000000 0.41785687380648 6.941 > 9 11 Li 0.05274834268801 0.25000000000000 0.91785687380648 6.941 > 9 12 Li 0.55274834268801 0.25000000000000 0.91785687380648 6.941 > 9 13 Li 0.44725165731199 0.75000000000000 0.08214312619352 6.941 > 13 14 Li 0.94725165731199 0.75000000000000 0.08214312619352 6.941 > 13 15 Li 0.44725165731199 0.75000000000000 0.58214312619352 6.941 > 13 16 Li 0.94725165731199 0.75000000000000 0.58214312619352 6.941 > 13 17 Li 0.42455552286509 0.48441935518869 0.32337468913503 6.941 > 17 18 Li 0.92455552286509 0.48441935518869 0.32337468913503 6.941 > 17 19 Li 0.42455552286509 0.48441935518869 0.82337468913503 6.941 > 17 20 Li 0.92455552286509 0.48441935518869 0.82337468913503 6.941 > 17 21 Li 0.07544447713491 0.98441935518869 0.17662531086497 6.941 > 21 22 Li 0.57544447713491 0.98441935518869 0.17662531086497 6.941 > 21 23 Li 0.07544447713491 0.98441935518869 0.67662531086497 6.941 > 21 24 Li 0.57544447713491 0.98441935518869 0.67662531086497 6.941 > 21 25 Li 0.07544447713491 0.51558064481131 0.17662531086497 6.941 > 25 26 Li 0.57544447713491 0.51558064481131 0.17662531086497 6.941 > 25 27 Li 0.07544447713491 0.51558064481131 0.67662531086497 6.941 > 25 28 Li 0.57544447713491 0.51558064481131 0.67662531086497 6.941 > 25 29 Li 0.42455552286509 0.01558064481131 0.32337468913503 6.941 > 29 30 Li 0.92455552286509 0.01558064481131 0.32337468913503 6.941 > 29 31 Li 0.42455552286509 0.01558064481131 0.82337468913503 6.941 > 29 32 Li 0.92455552286509 0.01558064481131 0.82337468913503 6.941 > 29 33 H 0.32639593709848 0.25000000000000 0.44775771401559 1.008 > 33 34 H 0.82639593709848 0.25000000000000 0.44775771401559 1.008 > 33 35 H 0.32639593709848 0.25000000000000 0.94775771401559 1.008 > 33 36 H 0.82639593709848 0.25000000000000 0.94775771401559 1.008 > 33 37 H 0.17360406290152 0.75000000000000 0.05224228598441 1.008 > 37 38 H 0.67360406290152 0.75000000000000 0.05224228598441 1.008 > 37 39 H 0.17360406290152 0.75000000000000 0.55224228598441 1.008 > 37 40 H 0.67360406290152 0.75000000000000 0.55224228598441 1.008 > 37 41 H 0.34103669264303 0.45728164384449 0.13152315054087 1.008 > 41 42 H 0.84103669264303 0.45728164384449 0.13152315054087 1.008 > 41 43 H 0.34103669264303 0.45728164384449 0.63152315054087 1.008 > 41 44 H 0.84103669264303 0.45728164384449 0.63152315054087 1.008 > 41 45 H 0.15896330735697 0.95728164384449 0.36847684945913 1.008 > 45 46 H 0.65896330735697 0.95728164384449 0.36847684945913 1.008 > 45 47 H 0.15896330735697 0.95728164384449 0.86847684945913 1.008 > 45 48 H 0.65896330735697 0.95728164384449 0.86847684945913 1.008 > 45 49 H 0.15896330735697 0.54271835615551 0.36847684945913 1.008 > 49 50 H 0.65896330735697 0.54271835615551 0.36847684945913 1.008 > 49 51 H 0.15896330735697 0.54271835615551 0.86847684945913 1.008 > 49 52 H 0.65896330735697 0.54271835615551 0.86847684945913 1.008 > 49 53 H 0.34103669264303 0.04271835615551 0.13152315054087 1.008 > 53 54 H 0.84103669264303 0.04271835615551 0.13152315054087 1.008 > 53 55 H 0.34103669264303 0.04271835615551 0.63152315054087 1.008 > 53 56 H 0.84103669264303 0.04271835615551 0.63152315054087 1.008 > 53 57 Cl 0.17419720575017 0.25000000000000 0.08826857197462 35.453 > 57 58 Cl 0.67419720575017 0.25000000000000 0.08826857197462 35.453 > 57 59 Cl 0.17419720575017 0.25000000000000 0.58826857197462 35.453 > 57 60 Cl 0.67419720575017 0.25000000000000 0.58826857197462 35.453 > 57 61 Cl 0.32580279424983 0.75000000000000 0.41173142802538 35.453 > 61 62 Cl 0.82580279424983 0.75000000000000 0.41173142802538 35.453 > 61 63 Cl 0.32580279424983 0.75000000000000 0.91173142802538 35.453 > 61 64 Cl 0.82580279424983 0.75000000000000 0.91173142802538 35.453 > 61 65 O 0.37350401472020 0.25000000000000 0.38023903104133 15.999 > 65 66 O 0.87350401472020 0.25000000000000 0.38023903104133 15.999 > 65 67 O 0.37350401472020 0.25000000000000 0.88023903104133 15.999 > 65 68 O 0.87350401472020 0.25000000000000 0.88023903104133 15.999 > 65 69 O 0.12649598527980 0.75000000000000 0.11976096895867 15.999 > 69 70 O 0.62649598527980 0.75000000000000 0.11976096895867 15.999 > 69 71 O 0.12649598527980 0.75000000000000 0.61976096895867 15.999 > 69 72 O 0.62649598527980 0.75000000000000 0.61976096895867 15.999 > 69 73 O 0.10691044498961 0.45239594296588 0.32822825320046 15.999 > 73 74 O 0.60691044498961 0.45239594296588 0.32822825320046 15.999 > 73 75 O 0.10691044498961 0.45239594296588 0.82822825320046 15.999 > 73 76 O 0.60691044498961 0.45239594296588 0.82822825320046 15.999 > 73 77 O 0.39308955501039 0.95239594296588 0.17177174679954 15.999 > 77 78 O 0.89308955501039 0.95239594296588 0.17177174679954 15.999 > 77 79 O 0.39308955501039 0.95239594296588 0.67177174679954 15.999 > 77 80 O 0.89308955501039 0.95239594296588 0.67177174679954 15.999 > 77 81 O 0.39308955501039 0.54760405703412 0.17177174679954 15.999 > 81 82 O 0.89308955501039 0.54760405703412 0.17177174679954 15.999 > 81 83 O 0.39308955501039 0.54760405703412 0.67177174679954 15.999 > 81 84 O 0.89308955501039 0.54760405703412 0.67177174679954 15.999 > 81 85 O 0.10691044498961 0.04760405703412 0.32822825320046 15.999 > 85 86 O 0.60691044498961 0.04760405703412 0.32822825320046 15.999 > 85 87 O 0.10691044498961 0.04760405703412 0.82822825320046 15.999 > 85 88 O 0.60691044498961 0.04760405703412 0.82822825320046 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4291451 0.0000000 -0.0269254 0.0000000 2.4108211 0.0000000 -0.0269267 0.0000000 2.4264735 -------------------------- Born effective charges -------------------------- 1 Li 0.8536837 0.0000000 0.0137710 0.0000000 0.9382668 0.0000000 0.0302232 0.0000000 1.0903619 2 Li 0.8536837 0.0000000 0.0137710 0.0000000 0.9382668 0.0000000 0.0302232 0.0000000 1.0903619 3 Li 1.0098562 0.0000000 0.0978114 0.0000000 0.8733739 0.0000000 0.0881313 0.0000000 0.9941758 4 Li 1.0098562 0.0000000 0.0978114 0.0000000 0.8733739 0.0000000 0.0881313 0.0000000 0.9941758 5 Li 1.0122640 -0.1058281 -0.0455728 -0.0693898 0.9821624 0.0263575 -0.0527179 -0.0206783 0.8966871 6 Li 1.0122640 0.1058281 -0.0455728 0.0693898 0.9821624 -0.0263575 -0.0527179 0.0206783 0.8966871 7 Li 1.0122640 -0.1058281 -0.0455728 -0.0693898 0.9821624 0.0263575 -0.0527179 -0.0206783 0.8966871 8 Li 1.0122640 0.1058281 -0.0455728 0.0693898 0.9821624 -0.0263575 -0.0527179 0.0206783 0.8966871 9 H 0.4234674 0.0000000 -0.1144534 0.0000000 0.3335560 0.0000000 -0.1468317 0.0000000 0.4280268 10 H 0.4234674 0.0000000 -0.1144534 0.0000000 0.3335560 0.0000000 -0.1468317 0.0000000 0.4280268 11 H 0.4465076 0.1182440 0.0334931 0.1387999 0.4251020 -0.0008502 0.0420246 -0.0060063 0.2935861 12 H 0.4465076 -0.1182440 0.0334931 -0.1387999 0.4251020 0.0008502 0.0420246 0.0060063 0.2935861 13 H 0.4465076 0.1182440 0.0334931 0.1387999 0.4251020 -0.0008502 0.0420246 -0.0060063 0.2935861 14 H 0.4465076 -0.1182440 0.0334931 -0.1387999 0.4251020 0.0008502 0.0420246 0.0060063 0.2935861 15 Cl -1.0196588 0.0000000 -0.0018037 0.0000000 -0.9855968 0.0000000 -0.0227384 0.0000000 -1.0932427 16 Cl -1.0196588 0.0000000 -0.0018037 0.0000000 -0.9855968 0.0000000 -0.0227384 0.0000000 -1.0932427 17 O -1.4011804 0.0000000 -0.0395122 0.0000000 -1.3676732 0.0000000 0.0292295 0.0000000 -1.1768636 18 O -1.4011804 0.0000000 -0.0395122 0.0000000 -1.3676732 0.0000000 0.0292295 0.0000000 -1.1768636 19 O -1.3918557 0.0273265 0.0341730 0.0008946 -1.3032279 0.0825787 0.0216863 0.0742648 -1.3115022 20 O -1.3918557 -0.0273265 0.0341730 -0.0008946 -1.3032279 -0.0825787 0.0216863 -0.0742648 -1.3115022 21 O -1.3918557 0.0273265 0.0341730 0.0008946 -1.3032279 0.0825787 0.0216863 0.0742648 -1.3115022 22 O -1.3918557 -0.0273265 0.0341730 -0.0008946 -1.3032279 -0.0825787 0.0216863 -0.0742648 -1.3115022 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000036 (zzz) -0.00000036 (zzz) -0.00000036 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 8 ] 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: 0.67, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/148) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 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 2.925 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.297 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.648 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 11.411 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 12.010 ( 0.000 0.000 0.000) 0.000 12.462 ( 0.000 0.000 0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 14.249 ( 0.000 0.000 0.000) 0.000 14.295 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.506 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.747 ( 0.000 0.000 0.000) 0.000 15.772 ( 0.000 0.000 0.000) 0.000 16.300 ( 0.000 0.000 0.000) 0.000 16.445 ( 0.000 0.000 0.000) 0.000 17.283 ( 0.000 0.000 0.000) 0.000 17.576 ( 0.000 0.000 0.000) 0.000 18.143 ( 0.000 0.000 0.000) 0.000 18.733 ( 0.000 0.000 0.000) 0.000 20.402 ( 0.000 0.000 0.000) 0.000 20.666 ( 0.000 0.000 0.000) 0.000 21.171 ( 0.000 0.000 0.000) 0.000 21.215 ( 0.000 0.000 0.000) 0.000 21.318 ( 0.000 0.000 0.000) 0.000 21.895 ( 0.000 0.000 0.000) 0.000 22.638 ( 0.000 0.000 0.000) 0.000 22.749 ( 0.000 0.000 0.000) 0.000 24.160 ( 0.000 0.000 0.000) 0.000 24.619 ( 0.000 0.000 0.000) 0.000 108.569 ( 0.000 0.000 0.000) 0.000 108.612 ( 0.000 0.000 0.000) 0.000 109.419 ( 0.000 0.000 0.000) 0.000 109.527 ( 0.000 0.000 0.000) 0.000 109.698 ( 0.000 0.000 0.000) 0.000 109.797 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/148) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 29.705 0.000 -6.912) 30.499 0.686 ( 32.578 0.000 2.677) 32.688 1.294 ( 59.213 0.000 4.132) 59.357 3.020 ( 8.365 0.000 -6.168) 10.393 3.325 ( 4.188 0.000 1.128) 4.337 3.372 ( -3.246 0.000 0.573) 3.296 3.829 ( -1.875 0.000 -2.970) 3.513 4.494 ( -16.139 0.000 0.415) 16.144 4.568 ( -4.522 0.000 -6.340) 7.787 4.711 ( 3.513 0.000 1.216) 3.717 5.361 ( -1.222 0.000 0.215) 1.241 5.471 ( -5.254 0.000 1.689) 5.518 5.774 ( -1.050 0.000 3.415) 3.573 6.253 ( -4.424 0.000 -2.101) 4.897 6.353 ( -1.006 0.000 -1.930) 2.177 6.857 ( -6.196 0.000 -0.359) 6.206 7.974 ( -2.184 0.000 2.539) 3.349 8.261 ( -2.176 0.000 -0.755) 2.303 8.661 ( 1.683 0.000 1.124) 2.024 9.095 ( -9.214 0.000 -0.723) 9.242 9.281 ( -1.468 0.000 0.692) 1.623 9.469 ( 4.197 0.000 -0.354) 4.212 9.619 ( -3.093 0.000 3.384) 4.584 10.005 ( 8.060 0.000 -2.556) 8.456 10.450 ( 4.587 0.000 1.084) 4.714 10.716 ( -6.320 0.000 -0.601) 6.348 10.761 ( 6.518 0.000 -0.966) 6.589 11.401 ( -1.386 0.000 3.472) 3.738 11.631 ( -1.098 0.000 1.254) 1.667 11.812 ( -14.356 0.000 1.268) 14.411 11.882 ( -0.932 0.000 -4.119) 4.223 12.522 ( 0.835 0.000 -1.032) 1.327 12.628 ( 12.266 0.000 -0.583) 12.279 12.902 ( 4.791 0.000 -7.007) 8.489 13.253 ( -3.911 0.000 -0.286) 3.922 13.751 ( -6.608 0.000 -0.409) 6.620 13.755 ( -10.559 0.000 -32.169) 33.858 14.238 ( -1.451 0.000 0.876) 1.695 14.379 ( 6.689 0.000 -0.870) 6.745 14.629 ( 10.166 0.000 -3.251) 10.674 15.192 ( 1.377 0.000 2.722) 3.051 15.664 ( 7.038 0.000 3.998) 8.094 15.675 ( -5.884 0.000 -1.348) 6.037 16.152 ( -6.265 0.000 1.271) 6.392 16.719 ( 17.237 0.000 -0.267) 17.239 17.382 ( 8.844 0.000 0.940) 8.893 17.501 ( 0.127 0.000 39.570) 39.570 18.104 ( 2.134 0.000 -15.652) 15.797 18.173 ( 2.791 0.000 1.062) 2.987 18.717 ( -1.713 0.000 2.355) 2.912 20.410 ( 0.647 0.000 -0.288) 0.709 20.671 ( 0.521 0.000 -0.487) 0.714 21.186 ( 1.542 0.000 -15.705) 15.780 21.231 ( 1.533 0.000 14.254) 14.336 21.608 ( 1.883 0.000 -29.749) 29.809 21.900 ( 0.094 0.000 2.591) 2.593 22.695 ( -5.072 0.000 0.015) 5.072 22.876 ( -6.655 0.000 20.369) 21.428 24.618 ( 0.014 0.000 -2.043) 2.043 24.672 ( -0.577 0.000 3.418) 3.467 108.569 ( 0.003 0.000 0.093) 0.093 108.643 ( 0.215 0.000 -6.312) 6.315 109.420 ( 0.065 0.000 0.037) 0.075 109.522 ( -0.461 0.000 -0.056) 0.464 109.706 ( 0.767 0.000 -0.014) 0.767 110.050 ( -0.155 0.000 4.553) 4.556 ======================= Grid point 2 (3/148) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 29.149 0.000 -6.589) 29.884 1.370 ( 32.281 0.000 2.795) 32.401 2.418 ( 44.879 0.000 3.064) 44.983 3.160 ( 0.932 0.000 -0.741) 1.191 3.354 ( 5.681 0.000 -5.755) 8.087 3.453 ( 7.356 0.000 1.924) 7.603 3.753 ( -5.397 0.000 -4.745) 7.186 4.097 ( -19.546 0.000 0.466) 19.551 4.471 ( -2.603 0.000 -2.178) 3.394 4.818 ( 6.571 0.000 2.977) 7.214 5.294 ( -4.905 0.000 1.171) 5.043 5.360 ( -5.024 0.000 1.323) 5.196 5.728 ( -3.572 0.000 1.048) 3.722 6.054 ( -14.108 0.000 -2.877) 14.399 6.342 ( 0.517 0.000 -3.251) 3.292 6.697 ( -8.306 0.000 -1.294) 8.406 7.887 ( -6.165 0.000 2.794) 6.769 8.236 ( -0.068 0.000 -0.845) 0.848 8.730 ( 4.654 0.000 1.335) 4.842 8.840 ( -15.237 0.000 -0.245) 15.239 9.263 ( 0.257 0.000 2.484) 2.497 9.532 ( 1.352 0.000 -0.668) 1.508 9.547 ( -3.567 0.000 1.416) 3.838 10.143 ( 3.434 0.000 -2.053) 4.001 10.610 ( 10.086 0.000 1.339) 10.174 10.640 ( 1.484 0.000 -0.130) 1.490 10.921 ( 8.006 0.000 -0.992) 8.067 11.272 ( -15.136 0.000 1.564) 15.216 11.524 ( -7.210 0.000 1.095) 7.292 11.609 ( -0.811 0.000 1.879) 2.047 11.896 ( 1.370 0.000 -3.045) 3.339 12.545 ( 1.379 0.000 -1.506) 2.041 12.799 ( 1.300 0.000 -15.588) 15.642 13.067 ( 13.322 0.000 0.448) 13.330 13.125 ( -8.166 0.000 -0.338) 8.173 13.499 ( -11.505 0.000 -6.185) 13.062 13.611 ( -5.909 0.000 -0.520) 5.932 14.199 ( -2.347 0.000 3.319) 4.065 14.524 ( 6.459 0.000 -1.385) 6.606 14.871 ( 12.343 0.000 -2.719) 12.639 15.244 ( 3.381 0.000 2.699) 4.326 15.549 ( -5.054 0.000 -1.790) 5.362 15.832 ( 7.787 0.000 1.217) 7.881 16.061 ( -3.064 0.000 0.805) 3.168 17.085 ( 16.919 0.000 -0.056) 16.919 17.527 ( 2.167 0.000 8.285) 8.563 17.649 ( 13.024 0.000 15.920) 20.569 18.146 ( 2.710 0.000 -12.901) 13.183 18.256 ( 4.744 0.000 0.923) 4.833 18.661 ( -3.936 0.000 4.922) 6.303 20.425 ( 0.719 0.000 -0.052) 0.721 20.694 ( 1.945 0.000 -0.770) 2.092 21.195 ( 0.521 0.000 -11.970) 11.981 21.322 ( 6.277 0.000 8.780) 10.794 21.632 ( 1.950 0.000 -10.893) 11.066 21.892 ( -1.212 0.000 2.060) 2.390 22.542 ( -9.356 0.000 0.289) 9.360 22.701 ( -10.738 0.000 8.321) 13.584 24.605 ( -1.602 0.000 2.105) 2.646 24.677 ( 1.481 0.000 -1.905) 2.413 108.569 ( -0.018 0.000 0.149) 0.150 108.643 ( 0.060 0.000 -2.198) 2.199 109.422 ( 0.123 0.000 0.062) 0.138 109.509 ( -0.744 0.000 -0.092) 0.750 109.728 ( 1.219 0.000 -0.024) 1.220 110.050 ( -0.055 0.000 1.511) 1.512 ======================= Grid point 3 (4/148) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 25.623 0.000 -5.291) 26.164 2.038 ( 30.911 0.000 3.076) 31.064 2.984 ( 4.719 0.000 -1.464) 4.941 3.168 ( 5.591 0.000 0.530) 5.616 3.505 ( -9.879 0.000 -3.481) 10.474 3.510 ( 4.775 0.000 -0.132) 4.777 3.619 ( -6.210 0.000 2.390) 6.654 3.807 ( -1.692 0.000 -1.689) 2.391 4.574 ( 14.472 0.000 -2.824) 14.745 4.982 ( 8.000 0.000 4.524) 9.190 5.199 ( -3.426 0.000 0.338) 3.443 5.257 ( -4.650 0.000 1.990) 5.058 5.647 ( -3.276 0.000 -0.384) 3.299 5.706 ( -17.315 0.000 -2.834) 17.545 6.369 ( 1.910 0.000 -3.414) 3.912 6.531 ( -6.863 0.000 -1.051) 6.943 7.748 ( -6.232 0.000 1.792) 6.484 8.244 ( 0.557 0.000 -0.703) 0.897 8.466 ( -19.322 0.000 0.337) 19.325 8.838 ( 4.904 0.000 1.099) 5.026 9.299 ( 2.593 0.000 3.046) 4.001 9.487 ( -1.974 0.000 0.060) 1.975 9.534 ( -0.681 0.000 -0.670) 0.955 10.142 ( -2.192 0.000 -0.731) 2.311 10.773 ( 6.632 0.000 -0.937) 6.698 10.835 ( 10.171 0.000 0.671) 10.193 10.885 ( -14.947 0.000 0.458) 14.954 11.065 ( 5.043 0.000 -0.247) 5.049 11.462 ( -1.364 0.000 2.358) 2.724 11.617 ( 1.758 0.000 1.656) 2.415 11.894 ( -2.293 0.000 -4.381) 4.945 12.573 ( 1.115 0.000 -1.267) 1.688 12.762 ( -0.528 0.000 -15.831) 15.840 12.929 ( -9.614 0.000 -0.314) 9.619 13.260 ( -9.848 0.000 4.551) 10.848 13.390 ( 14.284 0.000 -0.671) 14.300 13.514 ( -3.258 0.000 -0.422) 3.285 14.134 ( -4.422 0.000 4.218) 6.111 14.628 ( 3.372 0.000 -1.055) 3.534 15.110 ( 9.750 0.000 -2.283) 10.014 15.334 ( 4.788 0.000 1.316) 4.965 15.478 ( -1.561 0.000 -1.768) 2.359 15.968 ( 4.884 0.000 0.789) 4.948 16.012 ( -1.718 0.000 0.350) 1.753 17.404 ( 13.037 0.000 -0.280) 13.040 17.571 ( 1.600 0.000 6.000) 6.209 17.933 ( 11.611 0.000 13.877) 18.094 18.188 ( 2.108 0.000 -14.066) 14.223 18.358 ( 4.593 0.000 -1.713) 4.902 18.565 ( -5.265 0.000 7.614) 9.257 20.436 ( 0.265 0.000 0.331) 0.424 20.754 ( 3.703 0.000 -0.713) 3.771 21.193 ( 0.109 0.000 -6.683) 6.684 21.504 ( 10.402 0.000 2.644) 10.733 21.662 ( 0.938 0.000 -0.821) 1.247 21.858 ( -1.503 0.000 -1.671) 2.248 22.313 ( -12.265 0.000 0.815) 12.292 22.466 ( -11.229 0.000 3.350) 11.718 24.562 ( -2.253 0.000 2.454) 3.331 24.723 ( 2.609 0.000 -2.254) 3.448 108.569 ( -0.035 0.000 0.139) 0.143 108.642 ( 0.024 0.000 -0.778) 0.778 109.425 ( 0.162 0.000 0.065) 0.175 109.493 ( -0.722 0.000 -0.094) 0.728 109.753 ( 1.127 0.000 -0.023) 1.127 110.050 ( -0.054 0.000 0.483) 0.486 ======================= Grid point 4 (5/148) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 13.138 0.000 -2.335) 13.344 2.656 ( 27.207 0.000 3.706) 27.459 2.966 ( -1.265 0.000 1.022) 1.626 3.165 ( -20.291 0.000 -4.863) 20.866 3.195 ( -2.908 0.000 -3.541) 4.582 3.451 ( -5.675 0.000 1.620) 5.902 3.539 ( -0.114 0.000 2.730) 2.733 3.914 ( 4.989 0.000 -0.292) 4.997 4.925 ( 13.458 0.000 -3.541) 13.916 5.100 ( 1.152 0.000 4.670) 4.810 5.151 ( -1.589 0.000 -0.868) 1.811 5.214 ( 1.663 0.000 3.062) 3.484 5.386 ( -11.452 0.000 -2.465) 11.714 5.620 ( 0.571 0.000 -0.463) 0.735 6.396 ( 0.830 0.000 -0.482) 0.960 6.430 ( -2.554 0.000 -1.563) 2.994 7.667 ( -1.206 0.000 0.702) 1.396 8.112 ( -11.424 0.000 0.134) 11.425 8.252 ( 0.201 0.000 -0.277) 0.342 8.915 ( 2.020 0.000 0.439) 2.067 9.352 ( 1.630 0.000 1.463) 2.191 9.465 ( -0.281 0.000 -0.301) 0.412 9.518 ( -0.503 0.000 -0.288) 0.580 10.084 ( -2.463 0.000 -0.040) 2.463 10.583 ( -6.891 0.000 -0.714) 6.927 10.994 ( 6.639 0.000 0.631) 6.669 11.007 ( 5.688 0.000 -0.086) 5.689 11.111 ( -0.558 0.000 0.292) 0.630 11.446 ( -0.393 0.000 1.640) 1.687 11.676 ( 2.606 0.000 0.693) 2.697 11.800 ( -4.368 0.000 -3.398) 5.534 12.579 ( -0.409 0.000 -0.474) 0.626 12.772 ( -4.119 0.000 -0.207) 4.124 12.804 ( 4.573 0.000 -8.705) 9.833 13.061 ( -7.918 0.000 5.567) 9.679 13.470 ( -1.032 0.000 -0.156) 1.044 13.661 ( 9.567 0.000 -1.085) 9.628 14.021 ( -5.617 0.000 2.654) 6.212 14.668 ( 0.801 0.000 -0.344) 0.872 15.249 ( 3.363 0.000 -0.847) 3.468 15.423 ( 2.752 0.000 0.166) 2.757 15.466 ( 0.014 0.000 -0.796) 0.796 15.988 ( -0.582 0.000 0.090) 0.589 16.035 ( 1.510 0.000 0.382) 1.558 17.599 ( 0.657 0.000 2.085) 2.186 17.606 ( 5.424 0.000 -0.279) 5.431 18.127 ( 5.574 0.000 15.195) 16.186 18.198 ( -0.393 0.000 -15.435) 15.440 18.420 ( 1.000 0.000 -5.701) 5.788 18.484 ( -2.020 0.000 8.320) 8.562 20.438 ( -0.008 0.000 0.212) 0.212 20.826 ( 2.364 0.000 -0.318) 2.385 21.191 ( 0.006 0.000 -2.227) 2.227 21.662 ( -0.580 0.000 1.877) 1.964 21.751 ( 12.606 0.000 -0.314) 12.610 21.845 ( 0.250 0.000 -2.220) 2.234 22.042 ( -13.184 0.000 1.111) 13.231 22.280 ( -5.401 0.000 0.834) 5.465 24.527 ( -0.982 0.000 0.899) 1.331 24.765 ( 1.204 0.000 -0.775) 1.432 108.568 ( -0.018 0.000 0.057) 0.060 108.642 ( 0.008 0.000 -0.182) 0.182 109.428 ( 0.096 0.000 0.032) 0.101 109.481 ( -0.321 0.000 -0.044) 0.324 109.771 ( 0.462 0.000 -0.009) 0.462 110.049 ( -0.031 0.000 0.099) 0.104 ======================= Grid point 9 (6/148) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 0.000 20.299 0.000) 20.299 0.624 ( 0.000 31.967 0.000) 31.967 1.044 ( 0.000 51.979 0.000) 51.979 2.789 ( 0.000 -13.756 0.000) 13.756 3.387 ( 0.000 -2.641 0.000) 2.641 3.413 ( 0.000 12.537 0.000) 12.537 3.780 ( 0.000 -11.551 0.000) 11.551 4.249 ( 0.000 -4.422 0.000) 4.422 4.585 ( 0.000 -9.958 0.000) 9.958 4.630 ( 0.000 -1.691 0.000) 1.691 5.625 ( 0.000 14.905 0.000) 14.905 5.759 ( 0.000 2.959 0.000) 2.959 5.802 ( 0.000 2.856 0.000) 2.856 6.305 ( 0.000 1.827 0.000) 1.827 6.386 ( 0.000 1.744 0.000) 1.744 6.888 ( 0.000 -3.752 0.000) 3.752 8.015 ( 0.000 2.392 0.000) 2.392 8.211 ( 0.000 -7.532 0.000) 7.532 8.524 ( 0.000 -11.671 0.000) 11.671 9.142 ( 0.000 -6.186 0.000) 6.186 9.273 ( 0.000 -2.620 0.000) 2.620 9.331 ( 0.000 -7.240 0.000) 7.240 9.731 ( 0.000 7.432 0.000) 7.432 10.019 ( 0.000 9.913 0.000) 9.913 10.440 ( 0.000 3.994 0.000) 3.994 10.713 ( 0.000 -0.686 0.000) 0.686 10.879 ( 0.000 8.531 0.000) 8.531 11.370 ( 0.000 -4.110 0.000) 4.110 11.600 ( 0.000 -4.448 0.000) 4.448 11.885 ( 0.000 -2.922 0.000) 2.922 12.025 ( 0.000 4.357 0.000) 4.357 12.498 ( 0.000 3.241 0.000) 3.241 12.557 ( 0.000 1.936 0.000) 1.936 12.826 ( 0.000 -1.309 0.000) 1.309 13.313 ( 0.000 -4.916 0.000) 4.916 13.440 ( 0.000 -3.241 0.000) 3.241 13.862 ( 0.000 2.717 0.000) 2.717 14.255 ( 0.000 0.523 0.000) 0.523 14.407 ( 0.000 -2.270 0.000) 2.270 14.473 ( 0.000 -3.194 0.000) 3.194 15.134 ( 0.000 -3.958 0.000) 3.958 15.540 ( 0.000 -12.016 0.000) 12.016 15.933 ( 0.000 7.840 0.000) 7.840 15.954 ( 0.000 2.560 0.000) 2.560 16.566 ( 0.000 10.937 0.000) 10.937 16.841 ( 0.000 5.753 0.000) 5.753 17.282 ( 0.000 -0.184 0.000) 0.184 17.552 ( 0.000 -2.413 0.000) 2.413 18.195 ( 0.000 5.494 0.000) 5.494 19.630 ( 0.000 -4.176 0.000) 4.176 20.420 ( 0.000 -12.135 0.000) 12.135 21.069 ( 0.000 -10.377 0.000) 10.377 21.099 ( 0.000 17.180 0.000) 17.180 21.413 ( 0.000 5.406 0.000) 5.406 21.854 ( 0.000 -2.958 0.000) 2.958 22.122 ( 0.000 6.445 0.000) 6.445 22.564 ( 0.000 -6.773 0.000) 6.773 22.752 ( 0.000 -0.549 0.000) 0.549 24.182 ( 0.000 2.219 0.000) 2.219 24.597 ( 0.000 -2.151 0.000) 2.151 108.571 ( 0.000 0.184 0.000) 0.184 108.609 ( 0.000 -0.241 0.000) 0.241 109.533 ( 0.000 0.562 0.000) 0.562 109.638 ( 0.000 -0.732 0.000) 0.732 109.705 ( 0.000 0.653 0.000) 0.653 109.793 ( 0.000 -0.443 0.000) 0.443 ======================= Grid point 10 (7/148) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 26.619 10.439 -8.029) 29.699 0.904 ( 22.987 19.604 -2.545) 30.318 1.647 ( 44.889 31.395 6.419) 55.153 2.854 ( 5.742 -15.551 -4.188) 17.098 3.297 ( -5.893 -4.321 0.755) 7.346 3.484 ( 4.592 11.210 0.004) 12.114 3.788 ( 1.201 -5.987 -4.165) 7.391 4.357 ( -0.504 -9.045 -3.210) 9.611 4.448 ( -6.149 -6.586 -0.210) 9.012 4.699 ( 3.077 -3.150 4.894) 6.584 5.478 ( -8.468 9.224 -3.336) 12.958 5.605 ( -9.290 9.124 1.345) 13.091 5.798 ( -2.123 3.062 2.237) 4.345 6.252 ( -5.758 0.127 -1.542) 5.963 6.375 ( -1.247 1.729 -1.792) 2.785 6.820 ( -6.097 -3.730 -0.626) 7.175 7.976 ( -3.653 0.136 1.862) 4.103 8.203 ( -0.176 -5.085 -1.004) 5.186 8.572 ( 4.720 -7.623 2.049) 9.197 9.041 ( -9.017 -6.507 -1.200) 11.184 9.237 ( -0.559 -3.611 0.159) 3.657 9.428 ( 5.407 -2.993 0.885) 6.243 9.724 ( -1.221 8.887 1.194) 9.050 10.106 ( 6.257 8.839 -0.997) 10.875 10.492 ( 5.248 4.086 0.630) 6.681 10.685 ( -3.436 -1.666 -1.642) 4.157 10.819 ( -1.771 4.768 0.160) 5.089 11.331 ( -3.013 -5.336 2.165) 6.499 11.624 ( 0.868 -2.726 0.207) 2.868 11.750 ( -12.249 -5.449 0.873) 13.435 11.974 ( -0.665 8.759 -4.370) 9.811 12.454 ( -2.190 -3.271 0.898) 4.038 12.706 ( 11.703 4.725 -2.229) 12.816 12.873 ( 2.936 -2.916 -6.858) 8.010 13.274 ( -4.015 0.727 1.149) 4.239 13.550 ( 0.225 -11.736 -10.987) 16.078 13.829 ( -7.483 2.583 -3.951) 8.847 14.084 ( -6.934 -7.190 -7.623) 12.565 14.371 ( 10.165 -0.251 -0.771) 10.197 14.746 ( 10.235 4.023 2.507) 11.280 15.135 ( 0.143 -4.911 1.535) 5.147 15.575 ( 3.358 -6.852 0.559) 7.651 15.841 ( -0.201 10.462 -0.995) 10.511 16.066 ( -1.953 -3.683 7.119) 8.250 16.782 ( 15.967 6.375 -2.161) 17.328 17.244 ( 19.928 -13.800 26.300) 35.767 17.378 ( 8.809 -2.703 -0.710) 9.242 17.609 ( 7.756 -7.193 -12.650) 16.490 18.236 ( 3.621 6.032 2.892) 7.607 19.379 ( -18.657 16.222 5.745) 25.382 20.354 ( -4.110 -7.955 0.845) 8.994 20.865 ( -8.233 18.099 -2.699) 20.066 21.120 ( 0.956 -7.884 4.401) 9.080 21.343 ( -1.788 10.204 -3.337) 10.883 21.674 ( -3.092 3.864 -23.706) 24.217 21.968 ( -1.749 7.064 0.384) 7.288 22.624 ( -4.753 -7.416 4.814) 10.038 22.805 ( -1.646 -4.895 11.379) 12.496 24.480 ( 11.844 -10.105 2.391) 15.751 24.599 ( 0.214 -1.840 -1.350) 2.292 108.570 ( -0.004 0.161 0.217) 0.270 108.627 ( 0.870 -0.987 -3.035) 3.308 109.499 ( -3.877 4.733 -0.745) 6.163 109.530 ( -0.650 0.998 -0.132) 1.199 109.707 ( 0.736 0.125 -0.014) 0.747 109.950 ( 4.671 -6.473 2.909) 8.495 ======================= Grid point 11 (8/148) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 27.708 6.344 -7.394) 29.371 1.459 ( 28.544 8.437 -0.067) 29.765 2.592 ( 37.976 15.470 4.280) 41.229 2.988 ( 7.286 -14.356 -1.127) 16.138 3.190 ( -1.843 -11.366 -1.785) 11.652 3.588 ( 3.988 8.348 -0.939) 9.299 3.794 ( -0.921 2.076 -5.694) 6.130 4.117 ( -15.335 2.217 1.045) 15.529 4.441 ( 2.259 -3.597 -1.380) 4.466 4.785 ( 5.345 -2.879 6.002) 8.537 5.333 ( -5.586 3.265 -1.342) 6.608 5.435 ( -6.997 6.726 1.195) 9.779 5.713 ( -5.641 -0.320 0.261) 5.656 6.038 ( -14.121 -1.270 -2.836) 14.459 6.344 ( -0.799 -0.214 -2.961) 3.074 6.655 ( -8.961 -4.304 -1.275) 10.022 7.877 ( -5.591 -0.478 2.610) 6.188 8.224 ( 2.224 -1.023 -1.296) 2.770 8.699 ( 4.942 -3.362 1.479) 6.157 8.802 ( -12.197 -3.938 -0.374) 12.822 9.248 ( 1.457 -1.217 1.177) 2.233 9.492 ( 0.250 -0.790 1.624) 1.824 9.684 ( -2.513 9.907 -0.455) 10.231 10.196 ( 1.177 5.519 -1.050) 5.740 10.593 ( -1.297 -3.794 -0.794) 4.088 10.665 ( 10.411 4.530 1.283) 11.426 10.886 ( 5.524 -2.958 0.081) 6.267 11.210 ( -11.081 -4.901 1.883) 12.262 11.464 ( -8.066 -4.889 -0.901) 9.475 11.654 ( -0.347 1.079 1.513) 1.890 11.986 ( 1.027 8.998 -3.512) 9.713 12.429 ( -0.282 -8.429 -1.962) 8.659 12.849 ( 0.202 1.316 -15.990) 16.045 13.005 ( 10.670 -4.644 0.641) 11.654 13.151 ( -6.765 2.496 0.755) 7.250 13.439 ( -8.501 -4.889 -1.154) 9.874 13.651 ( -5.801 2.901 -1.595) 6.679 13.997 ( -3.312 -12.826 -1.127) 13.295 14.617 ( 11.036 3.797 -0.805) 11.699 14.960 ( 10.539 7.055 -0.582) 12.696 15.150 ( 1.285 -6.894 1.658) 7.206 15.623 ( 1.212 1.979 -0.835) 2.466 15.908 ( 5.550 8.283 -0.254) 9.973 16.013 ( -2.321 -1.724 3.236) 4.339 17.123 ( 15.791 3.657 -0.620) 16.221 17.508 ( 3.328 -2.093 3.780) 5.454 17.543 ( 11.485 -8.835 18.291) 23.335 17.854 ( 11.791 -14.327 -12.053) 22.126 18.342 ( 5.966 7.638 4.017) 10.492 19.044 ( -12.873 21.488 4.675) 25.481 20.306 ( -0.689 -8.703 -0.343) 8.737 20.811 ( 1.213 10.546 -4.596) 11.568 21.148 ( 1.111 -8.435 3.543) 9.216 21.359 ( 3.510 6.400 -5.784) 9.313 21.655 ( 0.752 1.619 -7.300) 7.515 21.933 ( -2.037 4.175 0.639) 4.689 22.468 ( -9.745 -6.514 2.471) 11.979 22.694 ( -8.314 -1.326 5.618) 10.122 24.587 ( -0.658 -1.970 4.360) 4.830 24.631 ( 3.850 -3.453 -3.992) 6.533 108.571 ( 0.006 0.181 0.209) 0.277 108.635 ( 0.238 -0.659 -1.625) 1.770 109.456 ( -0.895 2.994 -0.132) 3.128 109.517 ( -0.730 0.759 -0.080) 1.056 109.728 ( 1.217 0.081 -0.029) 1.220 110.003 ( 1.150 -4.192 1.221) 4.514 ======================= Grid point 12 (9/148) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 24.621 3.437 -4.647) 25.290 2.064 ( 28.328 2.286 -0.111) 28.420 2.904 ( 1.102 -9.191 -0.394) 9.265 3.111 ( 0.328 -7.141 -2.790) 7.674 3.455 ( 16.256 2.419 4.257) 16.977 3.539 ( -7.001 3.303 -3.748) 8.600 3.716 ( -10.559 5.502 2.248) 12.117 3.880 ( -0.782 6.120 -1.290) 6.303 4.597 ( 13.173 1.184 -1.929) 13.366 4.938 ( 7.850 -2.777 5.332) 9.888 5.237 ( -3.272 1.973 -0.937) 3.933 5.311 ( -4.550 4.975 1.081) 6.828 5.590 ( -5.333 -3.609 -0.345) 6.449 5.710 ( -15.011 -0.120 -2.648) 15.243 6.347 ( 1.038 -2.292 -3.073) 3.972 6.472 ( -7.562 -5.613 -1.097) 9.481 7.764 ( -4.810 1.972 2.002) 5.571 8.278 ( 2.579 2.816 -1.342) 4.047 8.444 ( -17.728 -2.143 0.161) 17.857 8.836 ( 4.154 -0.747 0.783) 4.293 9.299 ( 3.088 0.041 1.847) 3.599 9.473 ( -1.223 -0.001 1.428) 1.880 9.620 ( -3.206 7.352 -1.086) 8.094 10.158 ( -3.713 1.970 -0.305) 4.214 10.658 ( 4.286 -9.376 -1.130) 10.371 10.811 ( -6.009 -3.148 0.788) 6.830 10.932 ( 6.290 4.100 1.105) 7.589 11.050 ( 1.089 -1.607 0.294) 1.964 11.428 ( 2.627 -2.561 0.513) 3.704 11.636 ( -1.344 0.227 0.936) 1.654 11.964 ( -3.385 6.554 -4.412) 8.596 12.445 ( 2.267 -8.437 -2.248) 9.021 12.831 ( 0.496 2.722 -13.763) 14.038 12.944 ( -8.908 1.098 -0.845) 9.016 13.199 ( -3.259 -6.938 3.380) 8.378 13.291 ( 1.241 -3.146 2.595) 4.263 13.600 ( 1.122 3.085 -1.075) 3.454 13.924 ( -3.871 -13.315 1.466) 13.943 14.784 ( 4.641 8.715 -0.377) 9.881 15.171 ( 8.682 5.146 -1.598) 10.218 15.202 ( 3.830 -6.745 1.410) 7.884 15.652 ( 1.862 8.883 -1.352) 9.177 15.960 ( -1.040 -1.555 0.635) 1.975 16.040 ( 4.362 6.951 0.882) 8.253 17.415 ( 11.463 0.592 -0.530) 11.490 17.563 ( 2.035 -1.086 4.055) 4.666 17.790 ( 10.188 -10.726 11.408) 18.681 18.017 ( 4.768 -10.622 -8.587) 14.467 18.477 ( 6.085 9.375 2.810) 11.524 18.831 ( -8.079 18.663 3.490) 20.634 20.307 ( 0.471 -9.345 -0.345) 9.364 20.863 ( 3.612 8.323 -2.921) 9.532 21.159 ( -0.306 -5.409 0.382) 5.432 21.482 ( 8.189 -0.725 -4.749) 9.494 21.667 ( 0.450 0.593 1.363) 1.553 21.889 ( -1.695 2.972 -1.856) 3.892 22.239 ( -11.934 -5.377 2.183) 13.270 22.501 ( -9.472 1.632 2.319) 9.887 24.560 ( -1.683 -0.166 2.292) 2.848 24.700 ( 2.961 -2.142 -2.057) 4.193 108.571 ( -0.015 0.225 0.168) 0.281 108.637 ( 0.066 -0.497 -0.626) 0.803 109.446 ( -0.185 2.023 -0.002) 2.031 109.501 ( -0.709 0.778 -0.071) 1.055 109.754 ( 1.122 0.076 -0.031) 1.125 110.018 ( 0.363 -3.045 0.396) 3.092 ======================= Grid point 13 (10/148) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 13.460 2.297 -1.482) 13.735 2.595 ( 19.304 -5.987 0.011) 20.211 2.937 ( 2.909 -1.640 -0.040) 3.340 3.052 ( -3.275 -7.363 -1.629) 8.221 3.243 ( -15.640 0.693 -2.181) 15.806 3.469 ( -7.665 0.914 1.910) 7.952 3.674 ( 2.235 13.016 1.763) 13.324 3.967 ( 4.410 5.237 -0.542) 6.868 4.877 ( 10.262 -5.519 0.225) 11.654 5.020 ( -1.836 -3.147 1.531) 3.952 5.195 ( -0.997 1.772 -0.927) 2.235 5.297 ( 3.295 7.279 -0.078) 7.990 5.439 ( -7.937 4.825 -0.109) 9.289 5.553 ( 0.021 -6.541 -0.211) 6.544 6.348 ( -1.410 -5.898 0.439) 6.080 6.378 ( -0.764 -3.728 -2.326) 4.460 7.704 ( -0.755 3.708 0.812) 3.870 8.111 ( -10.774 -0.154 0.151) 10.776 8.322 ( 1.124 6.193 -0.709) 6.334 8.888 ( 1.011 -2.903 0.268) 3.085 9.360 ( 1.973 0.897 0.937) 2.361 9.459 ( -0.252 -0.203 0.571) 0.656 9.566 ( -1.500 4.672 -0.604) 4.944 10.077 ( -2.933 -0.281 0.054) 2.946 10.567 ( -5.028 -2.067 -0.514) 5.461 10.855 ( 5.402 -9.142 -0.126) 10.619 11.021 ( -1.169 -2.749 0.345) 3.007 11.130 ( 5.729 1.978 1.153) 6.169 11.472 ( -0.621 2.245 0.058) 2.330 11.629 ( 1.259 -3.634 -0.042) 3.846 11.876 ( -2.969 6.482 -2.234) 7.472 12.500 ( 2.018 -5.932 -0.629) 6.297 12.767 ( -4.605 2.026 -1.293) 5.194 12.897 ( 4.766 3.477 -9.566) 11.239 13.037 ( -8.252 -1.584 8.043) 11.632 13.349 ( 0.979 -8.461 0.295) 8.523 13.691 ( 6.258 -5.977 -2.121) 8.909 13.830 ( -5.256 -6.964 2.441) 9.060 14.830 ( 0.596 10.030 -0.039) 10.047 15.264 ( 2.127 -6.926 -0.179) 7.247 15.314 ( 3.502 5.826 -0.148) 6.799 15.689 ( 1.233 10.860 -0.721) 10.954 15.942 ( -0.445 -1.683 0.194) 1.751 16.106 ( 1.552 7.509 0.346) 7.675 17.571 ( 2.571 -2.794 0.229) 3.804 17.612 ( 2.670 -0.536 0.958) 2.887 17.965 ( 5.286 -10.235 7.980) 14.013 18.054 ( -0.263 -9.534 -6.982) 11.820 18.581 ( 3.194 9.907 0.980) 10.455 18.707 ( -3.743 17.797 1.467) 18.245 20.316 ( 0.281 -9.137 -0.097) 9.141 20.937 ( 2.681 8.252 -1.089) 8.744 21.142 ( -0.944 -5.412 -0.041) 5.494 21.608 ( 1.236 -6.417 -1.286) 6.661 21.743 ( 9.422 0.591 -0.104) 9.441 21.873 ( 0.081 2.546 -1.516) 2.964 21.985 ( -12.196 -2.803 2.262) 12.716 22.341 ( -4.716 3.619 0.560) 5.971 24.533 ( -0.802 0.575 0.795) 1.267 24.745 ( 1.212 -1.960 -0.680) 2.403 108.570 ( -0.011 0.251 0.065) 0.260 108.638 ( 0.016 -0.456 -0.148) 0.479 109.445 ( 0.001 1.643 0.012) 1.643 109.489 ( -0.315 0.795 -0.032) 0.855 109.771 ( 0.459 0.068 -0.014) 0.464 110.022 ( 0.085 -2.590 0.077) 2.593 ======================= Grid point 18 (11/148) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 26.637 0.000) 26.637 1.258 ( 0.000 32.576 0.000) 32.576 2.010 ( 0.000 44.843 0.000) 44.843 2.416 ( 0.000 -22.988 0.000) 22.988 3.177 ( 0.000 -20.019 0.000) 20.019 3.651 ( 0.000 1.855 0.000) 1.855 3.715 ( 0.000 16.303 0.000) 16.303 4.112 ( 0.000 -10.881 0.000) 10.881 4.305 ( 0.000 -16.246 0.000) 16.246 4.586 ( 0.000 -4.115 0.000) 4.115 5.786 ( 0.000 4.383 0.000) 4.383 5.876 ( 0.000 3.948 0.000) 3.948 6.004 ( 0.000 17.529 0.000) 17.529 6.348 ( 0.000 2.419 0.000) 2.419 6.427 ( 0.000 2.159 0.000) 2.159 6.780 ( 0.000 -7.103 0.000) 7.103 8.046 ( 0.000 -8.058 0.000) 8.058 8.052 ( 0.000 -0.990 0.000) 0.990 8.326 ( 0.000 -4.425 0.000) 4.425 8.956 ( 0.000 -12.759 0.000) 12.759 9.183 ( 0.000 -6.291 0.000) 6.291 9.200 ( 0.000 -4.310 0.000) 4.310 9.894 ( 0.000 8.366 0.000) 8.366 10.172 ( 0.000 3.395 0.000) 3.395 10.578 ( 0.000 9.843 0.000) 9.843 10.766 ( 0.000 7.471 0.000) 7.471 11.080 ( 0.000 11.337 0.000) 11.337 11.251 ( 0.000 -7.930 0.000) 7.930 11.471 ( 0.000 -8.579 0.000) 8.579 11.754 ( 0.000 -9.230 0.000) 9.230 12.182 ( 0.000 10.115 0.000) 10.115 12.563 ( 0.000 2.425 0.000) 2.425 12.605 ( 0.000 2.785 0.000) 2.785 12.785 ( 0.000 -2.906 0.000) 2.906 13.207 ( 0.000 -4.692 0.000) 4.692 13.354 ( 0.000 -5.262 0.000) 5.262 13.940 ( 0.000 5.127 0.000) 5.127 14.255 ( 0.000 -1.199 0.000) 1.199 14.365 ( 0.000 -1.699 0.000) 1.699 14.398 ( 0.000 -3.713 0.000) 3.713 15.052 ( 0.000 -3.569 0.000) 3.569 15.306 ( 0.000 -11.261 0.000) 11.261 16.018 ( 0.000 3.704 0.000) 3.704 16.060 ( 0.000 4.711 0.000) 4.711 16.812 ( 0.000 12.779 0.000) 12.779 16.984 ( 0.000 8.086 0.000) 8.086 17.272 ( 0.000 -0.940 0.000) 0.940 17.482 ( 0.000 -4.700 0.000) 4.700 18.367 ( 0.000 12.217 0.000) 12.217 19.439 ( 0.000 -15.524 0.000) 15.524 20.306 ( 0.000 0.870 0.000) 0.870 20.847 ( 0.000 -11.861 0.000) 11.861 21.414 ( 0.000 13.941 0.000) 13.941 21.502 ( 0.000 3.675 0.000) 3.675 21.812 ( 0.000 -0.381 0.000) 0.381 22.273 ( 0.000 8.608 0.000) 8.608 22.391 ( 0.000 -10.634 0.000) 10.634 22.710 ( 0.000 -3.819 0.000) 3.819 24.246 ( 0.000 4.173 0.000) 4.173 24.536 ( 0.000 -3.993 0.000) 3.993 108.576 ( 0.000 0.347 0.000) 0.347 108.603 ( 0.000 -0.418 0.000) 0.418 109.548 ( 0.000 1.003 0.000) 1.003 109.620 ( 0.000 -1.109 0.000) 1.109 109.721 ( 0.000 0.960 0.000) 0.960 109.781 ( 0.000 -0.805 0.000) 0.805 ======================= Grid point 19 (12/148) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 18.786 20.272 -7.824) 28.724 1.375 ( 11.232 27.153 -3.743) 29.621 2.333 ( 25.483 30.894 5.553) 40.431 2.469 ( 6.410 -19.477 -2.599) 20.669 3.102 ( -6.295 -15.206 -0.185) 16.458 3.675 ( 2.588 2.506 -4.982) 6.148 3.774 ( 4.805 12.155 1.293) 13.134 4.178 ( 5.398 -11.166 1.455) 12.488 4.298 ( -2.984 -10.178 -0.134) 10.608 4.578 ( 0.793 -7.636 4.701) 9.002 5.649 ( -10.627 7.418 -1.912) 13.100 5.772 ( -8.497 6.371 -3.417) 11.156 5.933 ( -6.222 11.306 1.832) 13.034 6.266 ( -7.944 1.372 -0.824) 8.103 6.400 ( -3.054 0.553 -1.237) 3.341 6.711 ( -6.333 -7.349 -0.697) 9.726 7.972 ( -4.157 -0.607 0.155) 4.204 8.100 ( 3.343 -4.761 -1.421) 5.989 8.436 ( 8.661 -4.443 2.614) 10.079 8.848 ( -7.860 -11.967 -0.445) 14.324 9.173 ( 2.437 -2.196 -0.680) 3.351 9.353 ( 7.800 -4.828 1.053) 9.234 9.917 ( 1.247 9.939 -0.098) 10.018 10.255 ( 6.166 3.477 1.149) 7.171 10.606 ( 2.925 7.382 0.129) 7.941 10.721 ( -4.134 7.410 -1.561) 8.628 10.925 ( -9.917 4.995 -0.069) 11.104 11.225 ( -2.768 -4.673 0.682) 5.474 11.517 ( 0.216 -7.632 -0.444) 7.648 11.596 ( -9.817 -10.569 -0.230) 14.427 12.188 ( 1.312 12.067 -3.780) 12.713 12.438 ( -7.383 1.599 2.414) 7.930 12.764 ( 8.992 0.047 -0.862) 9.033 12.794 ( 0.926 -4.494 -9.183) 10.265 13.255 ( 0.671 -2.141 2.220) 3.157 13.373 ( 1.844 -5.930 -1.052) 6.299 13.869 ( -7.241 1.501 -1.299) 7.508 13.992 ( -14.096 -3.011 -11.609) 18.508 14.385 ( 11.192 2.179 0.377) 11.408 14.739 ( 13.973 -4.294 5.561) 15.640 15.055 ( 0.898 -1.874 -0.463) 2.129 15.387 ( 6.661 -10.538 0.086) 12.467 16.017 ( 1.864 6.937 1.578) 7.355 16.098 ( 0.896 4.757 4.277) 6.460 16.947 ( 11.498 9.530 -2.764) 15.188 17.158 ( 12.611 2.080 10.004) 16.231 17.326 ( 5.681 -3.011 -1.160) 6.533 17.505 ( 2.711 -5.357 -1.666) 6.231 18.416 ( 4.357 12.337 3.020) 13.428 19.391 ( -4.636 -10.740 4.819) 12.651 20.275 ( -2.733 1.859 1.431) 3.602 20.861 ( 1.162 -11.773 5.878) 13.210 21.265 ( -11.235 14.714 -9.720) 20.909 21.499 ( -1.043 5.613 0.230) 5.714 21.726 ( -3.360 2.747 -9.703) 10.629 22.131 ( -5.504 7.175 -3.856) 9.831 22.445 ( -2.267 -8.719 7.888) 11.975 22.710 ( -1.268 -5.277 3.107) 6.254 24.382 ( 9.360 -0.889 1.766) 9.567 24.548 ( 1.050 -3.271 -0.890) 3.549 108.576 ( 0.008 0.397 0.255) 0.472 108.611 ( 0.596 -0.709 -1.023) 1.380 109.543 ( -0.629 1.165 -0.016) 1.324 109.572 ( -2.855 1.670 -0.604) 3.362 109.716 ( 0.454 0.900 -0.081) 1.011 109.849 ( 3.777 -3.907 1.220) 5.569 ======================= Grid point 20 (13/148) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 23.921 12.771 -10.177) 28.964 1.696 ( 18.686 15.826 -1.115) 24.513 2.551 ( 5.369 -19.594 -3.365) 20.593 2.881 ( 3.840 -15.083 -1.749) 15.662 3.129 ( 25.174 23.040 7.831) 35.013 3.697 ( -1.416 2.790 -5.488) 6.318 3.882 ( 3.261 6.998 0.057) 7.721 4.140 ( -10.206 -0.574 0.661) 10.244 4.335 ( 9.919 -6.559 -0.278) 11.895 4.666 ( 6.584 -10.443 9.959) 15.861 5.424 ( -9.552 6.236 -3.536) 11.943 5.575 ( -9.080 6.181 -2.537) 11.274 5.766 ( -9.154 6.171 0.665) 11.060 6.018 ( -14.665 -0.540 -2.102) 14.825 6.322 ( -3.189 -1.876 -2.115) 4.262 6.533 ( -9.845 -7.806 -1.217) 12.623 7.894 ( -3.234 2.666 1.474) 4.443 8.200 ( 5.755 -1.728 -2.369) 6.459 8.594 ( -0.052 -6.543 0.560) 6.568 8.703 ( -1.140 -5.701 0.816) 5.871 9.239 ( 3.437 0.944 0.121) 3.566 9.469 ( 2.579 -2.273 1.550) 3.771 9.908 ( -2.678 11.991 -0.683) 12.306 10.328 ( -0.905 4.837 1.003) 5.022 10.533 ( -7.548 0.767 -0.908) 7.641 10.769 ( 5.679 5.022 0.631) 7.607 10.831 ( 2.881 -1.655 1.012) 3.473 11.127 ( -6.960 -2.739 1.060) 7.555 11.339 ( -5.561 -7.472 -2.378) 9.613 11.585 ( 0.905 -8.761 -0.521) 8.823 12.205 ( -1.531 11.665 -3.634) 12.313 12.317 ( -2.388 -1.284 -0.537) 2.764 12.768 ( -0.148 -7.435 -8.181) 11.055 12.937 ( 4.483 -4.148 -5.979) 8.547 13.218 ( -3.620 4.060 2.255) 5.889 13.356 ( -3.970 -2.766 3.752) 6.123 13.686 ( -7.111 0.056 -2.656) 7.591 13.804 ( -4.666 -6.484 -6.590) 10.356 14.663 ( 13.461 2.014 0.232) 13.613 14.967 ( 6.864 -7.124 2.759) 10.270 15.126 ( 6.791 5.163 -0.333) 8.537 15.533 ( 6.343 -8.549 -0.078) 10.645 16.086 ( 1.797 7.816 4.040) 8.980 16.122 ( 4.111 11.269 -0.775) 12.020 17.208 ( 11.896 4.318 -1.928) 12.802 17.367 ( 6.952 -6.890 4.065) 10.598 17.481 ( 6.422 -1.335 9.825) 11.813 17.647 ( 10.956 -8.062 -4.783) 14.419 18.541 ( 6.801 12.298 4.323) 14.703 19.266 ( -7.195 -0.029 6.825) 9.917 20.214 ( -2.522 1.672 0.247) 3.036 20.908 ( 2.529 -13.112 7.752) 15.440 21.069 ( -4.998 12.860 -11.402) 17.899 21.475 ( -0.401 3.241 -10.735) 11.220 21.695 ( -0.265 3.347 2.038) 3.928 22.031 ( -4.404 3.860 -1.313) 6.002 22.334 ( -7.562 -5.186 4.071) 10.033 22.636 ( -5.789 -4.605 2.693) 7.872 24.537 ( 3.929 -2.175 3.942) 5.976 24.577 ( 2.530 -2.235 -3.325) 4.738 108.577 ( 0.051 0.459 0.249) 0.525 108.620 ( 0.332 -0.834 -0.771) 1.183 109.516 ( -1.470 2.603 -0.172) 2.995 109.537 ( -0.860 1.182 -0.099) 1.465 109.735 ( 1.196 0.733 -0.058) 1.404 109.910 ( 2.037 -4.781 0.646) 5.237 ======================= Grid point 21 (14/148) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 21.200 8.420 -6.286) 23.661 2.126 ( 21.229 4.445 -2.182) 21.798 2.665 ( 6.601 -13.581 -1.789) 15.206 2.878 ( 0.871 -14.590 -2.354) 14.805 3.554 ( -8.434 3.260 -1.557) 9.175 3.668 ( 3.304 6.642 2.760) 7.915 3.837 ( 3.357 11.127 4.836) 12.588 4.025 ( 0.477 8.800 -0.675) 8.839 4.563 ( 9.927 -5.016 -1.388) 11.208 4.870 ( 11.519 -7.182 10.794) 17.343 5.252 ( -6.517 1.856 -5.565) 8.769 5.422 ( -4.140 5.056 -2.874) 7.139 5.577 ( -8.439 2.634 0.845) 8.880 5.715 ( -12.145 1.195 -1.731) 12.326 6.279 ( -1.300 -4.456 -2.169) 5.124 6.335 ( -7.620 -7.556 -1.021) 10.779 7.837 ( -2.369 5.492 1.664) 6.208 8.291 ( -1.024 -3.968 -1.402) 4.331 8.425 ( -6.527 2.499 -0.794) 7.034 8.784 ( 2.849 -4.742 -0.132) 5.534 9.316 ( 3.828 2.062 0.886) 4.437 9.477 ( -1.043 -0.303 1.614) 1.945 9.807 ( -5.869 11.128 -0.667) 12.599 10.236 ( -7.159 6.211 0.434) 9.487 10.446 ( -0.172 -11.245 -0.155) 11.248 10.736 ( -5.355 -5.005 0.884) 7.383 10.979 ( 2.967 0.489 -0.135) 3.010 11.047 ( 3.177 2.109 0.835) 3.904 11.376 ( 7.388 -2.600 -0.749) 7.868 11.577 ( -1.428 -6.646 -1.631) 6.990 12.106 ( -5.319 6.909 -3.103) 9.255 12.342 ( 2.828 -1.128 -0.636) 3.110 12.798 ( 3.565 -5.302 -8.934) 10.984 12.934 ( -3.191 -3.787 -3.653) 6.154 13.089 ( -8.138 -1.170 2.074) 8.480 13.289 ( -2.799 0.825 6.135) 6.793 13.562 ( -4.507 -4.227 -3.910) 7.312 13.774 ( 1.294 -3.328 -1.681) 3.947 14.892 ( 7.331 3.182 -0.187) 7.994 15.072 ( 4.491 -5.336 2.151) 7.299 15.299 ( 8.086 5.615 -0.380) 9.851 15.638 ( 3.675 -7.084 -0.249) 7.984 16.107 ( 1.077 13.822 0.449) 13.871 16.242 ( 5.461 12.136 0.109) 13.309 17.395 ( 5.950 -3.271 -2.047) 7.091 17.478 ( 3.604 -8.623 3.146) 9.861 17.655 ( 9.384 -1.010 6.572) 11.501 17.840 ( 6.375 -6.935 -1.430) 9.528 18.686 ( 6.200 11.638 3.638) 13.679 19.124 ( -6.311 8.450 5.210) 11.764 20.182 ( -0.581 -0.931 -0.880) 1.407 20.940 ( -0.086 -13.273 2.182) 13.452 21.050 ( 2.706 7.865 -3.032) 8.853 21.467 ( 0.260 -2.325 -12.613) 12.828 21.706 ( 1.336 3.767 6.007) 7.215 21.949 ( -2.911 1.446 -0.595) 3.304 22.164 ( -8.471 -0.370 2.255) 8.774 22.494 ( -7.246 -2.646 1.335) 7.829 24.559 ( -0.312 0.167 1.743) 1.779 24.650 ( 3.167 -2.747 -1.427) 4.429 108.578 ( 0.023 0.512 0.192) 0.548 108.624 ( 0.114 -0.801 -0.321) 0.871 109.493 ( -0.674 2.457 -0.063) 2.549 109.520 ( -0.706 1.061 -0.028) 1.275 109.760 ( 1.125 0.735 -0.062) 1.345 109.941 ( 0.971 -4.431 0.192) 4.540 ======================= Grid point 22 (15/148) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 12.548 3.860 0.354) 13.134 2.468 ( 7.815 -5.525 -5.409) 10.994 2.866 ( 10.899 -7.189 0.040) 13.057 2.917 ( 5.070 -4.833 -0.020) 7.004 3.265 ( -16.587 2.351 -0.869) 16.775 3.464 ( -9.349 -1.658 1.520) 9.616 3.963 ( 0.651 13.919 1.679) 14.035 4.136 ( 6.069 13.332 -0.044) 14.648 4.694 ( 2.311 -11.801 1.657) 12.138 5.046 ( 2.548 3.248 5.220) 6.655 5.168 ( -0.712 -5.330 -4.823) 7.224 5.401 ( -2.270 -5.839 -2.076) 6.600 5.463 ( 1.813 8.242 -1.675) 8.603 5.559 ( -3.161 6.656 2.171) 7.681 6.203 ( -2.810 -7.513 -0.380) 8.031 6.285 ( -0.149 -5.914 -1.063) 6.011 7.807 ( -0.278 6.461 0.811) 6.517 8.101 ( -8.548 -1.224 0.181) 8.637 8.451 ( 2.566 6.167 -1.302) 6.805 8.799 ( -0.455 -5.905 -0.200) 5.925 9.386 ( 2.283 1.637 0.361) 2.833 9.456 ( -0.783 -0.307 0.889) 1.223 9.708 ( -2.724 9.912 -0.268) 10.283 10.097 ( -4.247 2.959 0.146) 5.179 10.467 ( 0.677 -8.669 0.165) 8.696 10.666 ( -0.754 -9.918 -0.110) 9.948 10.965 ( -1.216 -1.285 0.013) 1.769 11.144 ( 2.656 -1.262 0.490) 2.981 11.516 ( 1.309 1.883 -1.232) 2.603 11.563 ( 2.909 -2.476 0.016) 3.820 12.025 ( -1.882 8.276 -1.021) 8.548 12.398 ( 1.908 -4.198 -0.140) 4.613 12.829 ( -1.997 2.222 -4.182) 5.140 12.876 ( -0.863 -2.037 -1.915) 2.926 12.980 ( -0.170 -6.700 1.402) 6.848 13.214 ( -3.865 -5.596 3.648) 7.718 13.503 ( -1.025 -3.686 -2.037) 4.335 13.809 ( 1.263 -1.695 -0.168) 2.121 14.972 ( 1.276 4.896 0.201) 5.063 15.160 ( 2.706 -3.974 0.496) 4.833 15.424 ( 3.248 4.351 -0.119) 5.431 15.688 ( 1.152 -6.664 -0.137) 6.764 16.130 ( 0.804 16.916 -0.295) 16.938 16.323 ( 2.024 13.363 0.143) 13.516 17.473 ( 1.888 -7.136 -1.598) 7.552 17.531 ( 1.151 -8.712 2.479) 9.131 17.832 ( 6.175 -2.660 2.651) 7.228 17.904 ( -0.156 -4.877 -1.131) 5.009 18.786 ( 2.653 10.801 1.586) 11.234 19.027 ( -2.737 12.470 1.769) 12.888 20.179 ( 0.073 -2.669 -0.466) 2.711 20.938 ( -0.055 -14.097 0.086) 14.097 21.102 ( 1.525 6.758 0.212) 6.931 21.457 ( -0.320 -7.272 -5.341) 9.028 21.779 ( 4.957 2.568 2.092) 5.962 21.906 ( -2.170 -0.416 0.873) 2.376 22.004 ( -5.588 5.536 0.215) 7.869 22.369 ( -3.680 -1.140 0.309) 3.865 24.551 ( -0.331 1.300 0.538) 1.446 24.695 ( 1.128 -2.989 -0.431) 3.224 108.578 ( 0.003 0.541 0.074) 0.546 108.625 ( 0.026 -0.780 -0.072) 0.783 109.485 ( -0.171 2.182 -0.013) 2.189 109.509 ( -0.307 1.062 -0.008) 1.105 109.778 ( 0.457 0.743 -0.028) 0.872 109.954 ( 0.295 -4.089 0.025) 4.100 ======================= Grid point 27 (16/148) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 28.720 0.000) 28.720 1.897 ( 0.000 32.129 0.000) 32.129 1.908 ( 0.000 -27.483 0.000) 27.483 2.456 ( 0.000 -17.801 0.000) 17.801 3.058 ( 0.000 27.392 0.000) 27.392 3.692 ( 0.000 -30.012 0.000) 30.012 3.766 ( 0.000 7.889 0.000) 7.889 3.900 ( 0.000 -2.488 0.000) 2.488 4.207 ( 0.000 9.131 0.000) 9.131 4.439 ( 0.000 -10.814 0.000) 10.814 5.875 ( 0.000 4.141 0.000) 4.141 5.921 ( 0.000 -0.015 0.000) 0.015 6.309 ( 0.000 11.766 0.000) 11.766 6.390 ( 0.000 1.141 0.000) 1.141 6.470 ( 0.000 3.087 0.000) 3.087 6.614 ( 0.000 -9.512 0.000) 9.512 7.934 ( 0.000 -2.593 0.000) 2.593 7.960 ( 0.000 -4.925 0.000) 4.925 8.414 ( 0.000 10.664 0.000) 10.664 8.674 ( 0.000 -14.802 0.000) 14.802 9.108 ( 0.000 -1.349 0.000) 1.349 9.125 ( 0.000 -2.810 0.000) 2.810 10.043 ( 0.000 6.673 0.000) 6.673 10.152 ( 0.000 -4.117 0.000) 4.117 10.802 ( 0.000 12.173 0.000) 12.173 10.961 ( 0.000 6.157 0.000) 6.157 11.087 ( 0.000 -4.100 0.000) 4.100 11.256 ( 0.000 -8.504 0.000) 8.504 11.323 ( 0.000 8.674 0.000) 8.674 11.547 ( 0.000 -11.438 0.000) 11.438 12.387 ( 0.000 10.093 0.000) 10.093 12.546 ( 0.000 -4.977 0.000) 4.977 12.661 ( 0.000 2.896 0.000) 2.896 12.720 ( 0.000 -3.228 0.000) 3.228 13.172 ( 0.000 1.505 0.000) 1.505 13.247 ( 0.000 -5.251 0.000) 5.251 14.057 ( 0.000 6.566 0.000) 6.566 14.184 ( 0.000 -5.769 0.000) 5.769 14.346 ( 0.000 -0.192 0.000) 0.192 14.353 ( 0.000 -0.948 0.000) 0.948 15.026 ( 0.000 1.521 0.000) 1.521 15.117 ( 0.000 -7.526 0.000) 7.526 16.085 ( 0.000 2.711 0.000) 2.711 16.111 ( 0.000 0.441 0.000) 0.441 17.027 ( 0.000 8.420 0.000) 8.420 17.108 ( 0.000 1.906 0.000) 1.906 17.266 ( 0.000 2.253 0.000) 2.253 17.371 ( 0.000 -6.398 0.000) 6.398 18.673 ( 0.000 18.568 0.000) 18.568 19.068 ( 0.000 -20.695 0.000) 20.695 20.412 ( 0.000 8.700 0.000) 8.700 20.615 ( 0.000 -11.462 0.000) 11.462 21.561 ( 0.000 2.325 0.000) 2.325 21.577 ( 0.000 1.944 0.000) 1.944 21.907 ( 0.000 10.685 0.000) 10.685 22.155 ( 0.000 -13.011 0.000) 13.011 22.447 ( 0.000 8.721 0.000) 8.721 22.603 ( 0.000 -6.928 0.000) 6.928 24.340 ( 0.000 5.271 0.000) 5.271 24.445 ( 0.000 -5.160 0.000) 5.160 108.584 ( 0.000 0.459 0.000) 0.459 108.594 ( 0.000 -0.491 0.000) 0.491 109.571 ( 0.000 1.248 0.000) 1.248 109.596 ( 0.000 -1.277 0.000) 1.277 109.741 ( 0.000 1.075 0.000) 1.075 109.762 ( 0.000 -1.025 0.000) 1.025 ======================= Grid point 28 (17/148) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 11.115 24.849 -5.638) 27.800 1.938 ( 4.155 29.319 -3.569) 29.826 1.973 ( 6.061 -25.512 -3.613) 26.470 2.483 ( 1.406 -23.237 -2.669) 23.432 3.217 ( 15.043 30.416 6.501) 34.550 3.752 ( 5.103 -3.948 3.441) 7.313 3.836 ( 5.997 -14.255 0.053) 15.466 3.923 ( 1.771 -3.557 -0.312) 3.986 4.212 ( 0.353 7.081 0.060) 7.090 4.413 ( -1.613 -9.896 1.634) 10.159 5.773 ( -8.842 5.078 -1.017) 10.247 5.830 ( -7.848 -0.290 -2.604) 8.274 6.178 ( -10.416 11.129 -0.475) 15.251 6.293 ( -9.834 -0.300 -0.378) 9.846 6.410 ( -5.043 2.233 -0.687) 5.558 6.541 ( -6.472 -9.307 -0.654) 11.355 7.967 ( 1.967 0.839 -1.536) 2.633 8.016 ( 5.018 -3.822 -1.930) 6.597 8.442 ( 3.193 5.127 2.303) 6.464 8.611 ( -3.939 -11.237 0.925) 11.943 9.171 ( 5.857 2.133 -0.412) 6.247 9.248 ( 8.204 -5.248 0.383) 9.746 10.095 ( 3.824 8.014 0.175) 8.882 10.226 ( 5.654 -4.986 1.013) 7.606 10.770 ( -2.175 8.725 -0.246) 8.996 10.906 ( -5.755 -1.007 0.076) 5.843 10.997 ( -6.944 11.731 -0.920) 13.664 11.216 ( -4.601 3.394 -0.085) 5.718 11.311 ( 0.336 -12.841 -0.339) 12.850 11.382 ( -11.699 -9.283 -1.335) 14.994 12.412 ( 1.144 9.549 -2.049) 9.833 12.490 ( -6.123 1.989 2.867) 7.047 12.690 ( -2.032 -3.464 -3.755) 5.498 12.721 ( 5.595 -4.765 -5.658) 9.275 13.239 ( 4.405 1.164 1.692) 4.861 13.288 ( 3.402 -3.382 0.572) 4.831 13.898 ( -10.726 1.798 -4.263) 11.681 13.941 ( -13.797 -2.435 -7.968) 16.118 14.468 ( 11.201 6.091 2.061) 12.915 14.610 ( 11.902 -7.774 4.114) 14.800 15.079 ( 5.365 4.031 -0.283) 6.717 15.200 ( 7.104 -8.092 0.032) 10.768 16.125 ( 3.874 4.015 2.350) 6.054 16.161 ( 4.099 0.741 2.356) 4.786 17.124 ( 8.042 7.917 -1.082) 11.337 17.234 ( 10.726 0.440 3.807) 11.390 17.266 ( 0.218 0.995 -0.188) 1.036 17.385 ( 1.866 -6.748 0.318) 7.009 18.714 ( 3.556 17.593 3.203) 18.232 19.080 ( 0.887 -18.695 3.586) 19.056 20.400 ( -1.270 9.582 3.032) 10.130 20.619 ( 0.208 -12.182 4.277) 12.913 21.473 ( -6.860 6.461 -10.633) 14.208 21.545 ( -3.151 -1.099 -7.912) 8.587 21.858 ( -3.304 10.984 3.695) 12.050 22.092 ( -5.110 -10.731 2.285) 12.103 22.433 ( -1.978 6.979 1.687) 7.448 22.585 ( -1.965 -7.431 0.762) 7.724 24.408 ( 5.326 2.856 0.882) 6.108 24.477 ( 2.657 -3.826 -0.081) 4.659 108.585 ( 0.119 0.563 0.083) 0.581 108.597 ( 0.314 -0.649 -0.281) 0.774 109.565 ( -0.512 1.105 -0.003) 1.218 109.582 ( -1.167 -0.389 -0.173) 1.242 109.743 ( 0.538 1.861 -0.055) 1.938 109.787 ( 1.754 -2.607 0.336) 3.160 ======================= Grid point 29 (18/148) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 17.291 17.041 -8.815) 25.828 2.064 ( 7.872 18.634 -2.593) 20.394 2.151 ( 11.120 -17.619 -5.055) 21.439 2.500 ( 1.482 -21.572 -2.498) 21.766 3.646 ( 21.062 25.267 7.712) 33.786 3.773 ( -2.900 5.744 -3.086) 7.136 3.902 ( -1.872 -4.883 0.084) 5.230 4.123 ( 17.826 -17.234 5.388) 25.373 4.216 ( 0.251 9.214 1.153) 9.290 4.424 ( 2.873 -11.801 5.087) 13.168 5.554 ( -10.636 6.090 -3.164) 12.658 5.630 ( -9.876 -0.934 -3.822) 10.631 5.925 ( -12.912 8.078 -0.135) 15.231 6.013 ( -15.019 -0.907 -1.078) 15.085 6.292 ( -5.404 0.064 -1.133) 5.522 6.372 ( -8.743 -7.557 -1.034) 11.602 7.987 ( 0.155 6.620 -0.752) 6.664 8.126 ( 4.356 -6.272 -2.711) 8.103 8.516 ( 0.978 0.163 0.853) 1.308 8.586 ( 3.263 -5.715 0.880) 6.640 9.295 ( 5.149 4.522 0.318) 6.861 9.395 ( 4.861 -5.004 0.903) 7.035 10.128 ( -2.069 9.984 -0.146) 10.197 10.290 ( -1.497 -6.309 0.793) 6.533 10.663 ( -10.741 7.694 1.096) 13.258 10.762 ( -7.011 -3.142 2.025) 7.945 10.931 ( 4.338 9.585 -1.798) 10.674 11.101 ( -5.914 -3.212 -0.941) 6.796 11.210 ( 0.852 -1.970 -1.953) 2.902 11.350 ( 1.418 -12.685 -1.041) 12.807 12.345 ( -6.353 4.624 -0.005) 7.858 12.395 ( -2.892 2.847 -2.018) 4.532 12.674 ( 1.448 1.220 -5.036) 5.380 12.805 ( 2.210 -8.550 -6.293) 10.844 13.290 ( -2.013 2.788 2.940) 4.524 13.325 ( -0.927 -1.067 3.694) 3.955 13.678 ( -8.486 0.530 -5.959) 10.383 13.719 ( -5.353 -3.176 -7.736) 9.929 14.720 ( 11.928 4.067 2.243) 12.800 14.825 ( 8.722 -6.541 3.240) 11.373 15.234 ( 8.411 5.917 -0.392) 10.291 15.367 ( 7.706 -7.714 -0.149) 10.904 16.239 ( 6.147 6.132 2.590) 9.060 16.276 ( 6.800 3.182 0.732) 7.543 17.264 ( 3.636 1.025 -3.842) 5.388 17.283 ( 1.371 -1.756 1.531) 2.703 17.472 ( 10.032 0.785 6.326) 11.886 17.523 ( 11.669 -4.492 1.522) 12.596 18.814 ( 5.213 15.063 4.714) 16.622 19.105 ( 0.990 -13.498 5.584) 14.641 20.363 ( -2.426 11.764 3.657) 12.556 20.628 ( 0.049 -14.444 6.017) 15.647 21.309 ( -6.202 10.329 -13.645) 18.202 21.457 ( -3.837 -4.610 -14.220) 15.433 21.810 ( -1.659 8.034 7.584) 11.172 21.981 ( -5.085 -8.023 4.283) 10.420 22.363 ( -4.574 6.979 0.698) 8.373 22.515 ( -4.712 -7.464 0.789) 8.862 24.518 ( 4.231 0.162 1.505) 4.493 24.538 ( 2.984 -1.664 -0.764) 3.501 108.588 ( 0.133 0.699 0.120) 0.721 108.604 ( 0.250 -0.826 -0.205) 0.887 109.550 ( -0.912 0.992 0.006) 1.347 109.556 ( -1.110 0.471 -0.106) 1.210 109.763 ( 1.248 2.300 -0.065) 2.617 109.825 ( 1.687 -3.843 0.161) 4.200 ======================= Grid point 30 (19/148) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 16.870 9.582 -9.358) 21.540 2.246 ( 9.109 5.098 -3.062) 10.878 2.432 ( 15.837 -6.422 -2.059) 17.213 2.584 ( 7.175 -14.485 -0.206) 16.166 3.610 ( -10.901 3.079 -1.271) 11.398 3.674 ( -11.522 -2.915 0.592) 11.900 4.192 ( 19.225 20.225 5.881) 28.517 4.220 ( -0.337 11.151 0.672) 11.176 4.419 ( 5.356 -8.903 -0.381) 10.397 4.603 ( 15.248 -18.459 11.509) 26.565 5.349 ( -8.364 6.341 -4.808) 11.544 5.446 ( -7.140 -2.648 -4.105) 8.651 5.678 ( -8.804 6.111 -0.758) 10.744 5.743 ( -8.743 0.137 -1.058) 8.808 6.195 ( -4.808 -2.921 -1.083) 5.730 6.209 ( -5.073 -4.344 -0.540) 6.701 7.975 ( -1.377 8.356 0.547) 8.487 8.150 ( -2.589 -8.901 -0.551) 9.286 8.524 ( 1.129 6.554 -1.466) 6.810 8.662 ( 2.202 -7.123 -1.051) 7.529 9.378 ( 2.787 3.827 0.786) 4.799 9.447 ( 0.472 -2.776 1.042) 3.003 10.026 ( -5.883 10.658 0.263) 12.177 10.228 ( -2.433 -10.204 0.788) 10.520 10.405 ( -11.207 9.805 0.279) 14.893 10.598 ( -8.080 -8.920 0.436) 12.044 11.018 ( -0.316 3.592 -1.014) 3.746 11.072 ( 2.050 -0.663 -0.316) 2.178 11.343 ( 10.462 0.064 -0.668) 10.484 11.416 ( 5.762 -7.549 -1.568) 9.626 12.235 ( -3.808 6.446 -0.836) 7.533 12.335 ( -2.016 -2.431 -0.953) 3.300 12.728 ( 3.543 0.642 -4.824) 6.020 12.815 ( -0.192 -6.594 -4.697) 8.098 13.139 ( -9.928 4.687 2.086) 11.175 13.242 ( -7.394 -5.117 3.600) 9.685 13.575 ( -1.201 5.097 -4.592) 6.965 13.692 ( 1.386 -5.571 -3.496) 6.721 14.940 ( 8.058 2.126 1.423) 8.454 14.989 ( 6.663 -3.158 2.798) 7.887 15.395 ( 6.413 4.620 -0.653) 7.931 15.499 ( 4.754 -6.287 -0.375) 7.891 16.365 ( 5.391 10.285 0.690) 11.633 16.430 ( 6.981 4.532 -0.137) 8.324 17.306 ( 1.415 -4.039 -2.243) 4.832 17.315 ( 1.440 -5.570 1.400) 5.921 17.684 ( 8.897 2.590 3.798) 10.015 17.743 ( 7.965 -3.510 2.729) 9.122 18.923 ( 4.428 11.977 4.241) 13.455 19.124 ( 0.297 -7.086 5.195) 8.791 20.312 ( -2.390 13.010 1.493) 13.312 20.622 ( -1.022 -17.153 4.139) 17.675 21.225 ( -0.978 8.725 -9.438) 12.890 21.377 ( -2.540 -6.484 -12.279) 14.116 21.800 ( 0.296 5.373 6.544) 8.472 21.904 ( -2.404 -4.786 4.421) 6.945 22.253 ( -5.595 7.541 -0.310) 9.395 22.400 ( -5.877 -6.636 0.260) 8.868 24.570 ( 1.236 1.029 0.781) 1.788 24.601 ( 2.516 -2.092 -0.396) 3.297 108.591 ( 0.066 0.769 0.127) 0.782 108.607 ( 0.106 -0.884 -0.049) 0.891 109.531 ( -0.792 1.143 -0.015) 1.391 109.537 ( -0.750 0.443 -0.006) 0.871 109.790 ( 1.150 2.423 -0.090) 2.683 109.855 ( 1.172 -4.078 -0.007) 4.243 ======================= Grid point 31 (20/148) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 5.755 1.491 0.261) 5.950 2.407 ( 4.912 -1.155 -6.956) 8.593 2.761 ( 12.042 -1.269 0.316) 12.112 2.816 ( 13.964 -5.236 0.522) 14.923 3.331 ( -13.718 3.947 -0.122) 14.276 3.408 ( -11.198 -3.718 0.669) 11.818 4.204 ( -0.770 11.857 0.314) 11.886 4.437 ( 2.544 -6.734 -5.789) 9.237 4.492 ( 3.950 13.794 9.053) 16.965 4.863 ( 6.370 -17.757 4.702) 19.442 5.212 ( -3.726 6.530 -2.810) 8.026 5.318 ( -3.963 -4.010 -1.433) 5.817 5.614 ( 1.206 6.170 -2.339) 6.708 5.662 ( -0.340 2.181 0.328) 2.231 6.100 ( -2.617 -1.556 -0.276) 3.057 6.158 ( -1.106 -6.147 -0.188) 6.249 7.940 ( -1.219 6.668 0.564) 6.802 8.050 ( -4.568 -4.146 0.298) 6.176 8.561 ( 1.692 5.391 -1.301) 5.798 8.675 ( -0.276 -6.307 -0.784) 6.361 9.418 ( 1.084 1.475 0.286) 1.852 9.443 ( -0.461 -1.017 0.555) 1.247 9.941 ( -1.823 13.108 0.339) 13.238 10.160 ( -3.746 -3.249 0.185) 4.962 10.297 ( 0.478 -1.132 0.390) 1.289 10.456 ( -4.710 -11.160 -0.295) 12.117 10.992 ( -0.987 3.547 -0.383) 3.701 11.079 ( -0.581 -4.668 -0.344) 4.717 11.538 ( 4.565 0.419 -0.706) 4.638 11.540 ( 5.408 -0.154 0.011) 5.410 12.188 ( -0.769 7.939 -0.236) 7.980 12.317 ( 0.035 -4.903 -0.101) 4.904 12.784 ( 1.194 -1.647 -3.177) 3.772 12.826 ( 1.870 -6.076 -1.896) 6.634 12.958 ( -5.669 6.063 1.283) 8.399 13.086 ( -5.874 -6.865 1.901) 9.233 13.570 ( 0.196 7.431 -1.336) 7.553 13.721 ( 0.971 -6.847 -0.938) 6.979 15.046 ( 2.270 2.961 0.737) 3.803 15.098 ( 2.904 -2.601 0.910) 4.003 15.490 ( 2.427 3.012 -0.343) 3.883 15.566 ( 1.607 -5.091 -0.246) 5.344 16.450 ( 2.231 13.166 -0.102) 13.354 16.538 ( 2.812 5.367 -0.134) 6.060 17.328 ( 0.729 -5.835 -1.370) 6.038 17.337 ( 0.405 -7.607 1.362) 7.739 17.825 ( 4.036 0.856 1.187) 4.294 17.848 ( 1.915 -1.547 1.230) 2.752 18.993 ( 1.763 9.711 1.829) 10.038 19.127 ( -0.133 -2.358 2.138) 3.185 20.275 ( -0.981 12.423 0.062) 12.462 20.600 ( -0.901 -18.587 1.135) 18.643 21.226 ( 0.717 5.765 -2.849) 6.471 21.335 ( -0.831 -5.549 -4.812) 7.392 21.831 ( 1.811 2.631 2.577) 4.104 21.878 ( -0.804 -2.044 2.160) 3.081 22.151 ( -3.204 8.265 -0.544) 8.880 22.297 ( -3.108 -6.004 -0.086) 6.762 24.585 ( 0.268 2.168 0.221) 2.195 24.635 ( 0.805 -2.906 -0.111) 3.017 108.591 ( 0.016 0.794 0.056) 0.796 108.608 ( 0.025 -0.895 0.005) 0.895 109.519 ( -0.275 1.097 -0.004) 1.131 109.525 ( -0.300 0.427 0.005) 0.522 109.807 ( 0.457 2.426 -0.043) 2.469 109.872 ( 0.421 -3.995 -0.026) 4.017 ======================= Grid point 63 (21/148) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 2.576 0.000 22.742) 22.887 0.548 ( -16.051 0.000 26.589) 31.058 1.079 ( 7.736 0.000 51.582) 52.159 3.026 ( -7.192 0.000 9.466) 11.889 3.222 ( 1.562 0.000 -5.578) 5.793 3.415 ( 0.912 0.000 0.441) 1.013 3.726 ( -2.476 0.000 -10.725) 11.007 4.196 ( -6.645 0.000 -9.831) 11.866 4.653 ( 1.795 0.000 -1.744) 2.503 4.702 ( 0.095 0.000 1.435) 1.438 5.376 ( 0.196 0.000 0.822) 0.845 5.562 ( 1.680 0.000 2.524) 3.032 5.913 ( 3.069 0.000 -4.053) 5.084 6.320 ( -2.257 0.000 3.105) 3.839 6.378 ( -1.500 0.000 0.632) 1.627 6.941 ( 0.572 0.000 -3.784) 3.827 7.971 ( 1.858 0.000 -1.755) 2.556 8.246 ( -0.661 0.000 -4.360) 4.410 8.644 ( 1.199 0.000 -0.424) 1.272 9.235 ( 1.014 0.000 0.071) 1.016 9.329 ( -0.354 0.000 2.830) 2.852 9.414 ( -0.308 0.000 0.356) 0.470 9.703 ( 2.604 0.000 -2.901) 3.898 9.900 ( -3.282 0.000 -0.165) 3.286 10.417 ( 1.097 0.000 0.932) 1.439 10.715 ( -1.188 0.000 2.677) 2.929 10.794 ( -0.384 0.000 0.574) 0.691 11.437 ( 4.711 0.000 2.290) 5.238 11.630 ( 1.266 0.000 -1.277) 1.798 11.849 ( -0.881 0.000 -3.029) 3.155 12.002 ( -4.922 0.000 -0.619) 4.961 12.467 ( 0.662 0.000 0.029) 0.663 12.499 ( -0.944 0.000 -1.353) 1.649 12.911 ( 3.082 0.000 0.882) 3.206 13.295 ( -0.303 0.000 0.210) 0.369 13.755 ( -50.677 0.000 -1.031) 50.688 13.858 ( -0.522 0.000 2.073) 2.138 14.255 ( -0.256 0.000 0.560) 0.615 14.305 ( -0.814 0.000 0.947) 1.248 14.525 ( -3.063 0.000 1.510) 3.415 15.223 ( 1.246 0.000 4.448) 4.619 15.717 ( -1.236 0.000 -2.570) 2.852 15.763 ( -3.832 0.000 -0.351) 3.848 16.330 ( 5.872 0.000 2.534) 6.395 16.420 ( 44.156 0.000 0.361) 44.158 16.423 ( -4.880 0.000 -1.819) 5.208 17.273 ( -2.055 0.000 -0.972) 2.273 18.144 ( 1.470 0.000 0.962) 1.757 18.530 ( 2.663 0.000 -0.234) 2.673 18.821 ( 1.427 0.000 7.084) 7.226 20.344 ( 0.054 0.000 -5.270) 5.271 20.652 ( -3.602 0.000 -1.883) 4.065 20.910 ( -1.465 0.000 -11.674) 11.765 21.506 ( -25.656 0.000 -5.416) 26.221 21.512 ( -0.072 0.000 15.183) 15.183 22.034 ( -2.655 0.000 9.541) 9.903 22.725 ( 0.070 0.000 -2.332) 2.334 23.030 ( 27.063 0.000 -6.682) 27.876 24.178 ( 0.914 0.000 1.874) 2.085 24.607 ( -1.751 0.000 -1.093) 2.064 108.570 ( 0.071 0.000 0.062) 0.094 108.807 ( -9.533 0.000 0.019) 9.533 109.420 ( 0.031 0.000 0.141) 0.145 109.521 ( -0.033 0.000 -0.539) 0.540 109.701 ( -0.124 0.000 0.293) 0.318 109.819 ( 8.051 0.000 -0.633) 8.076 ======================= Grid point 64 (22/148) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 20.459 0.000 14.463) 25.055 0.876 ( 26.427 0.000 13.746) 29.788 1.747 ( 44.398 0.000 35.849) 57.064 2.989 ( 3.379 0.000 3.197) 4.652 3.294 ( 5.497 0.000 -3.940) 6.764 3.392 ( -2.970 0.000 1.382) 3.276 3.655 ( -3.269 0.000 -12.636) 13.052 4.276 ( 6.086 0.000 -15.406) 16.565 4.523 ( -15.671 0.000 1.597) 15.752 4.715 ( 4.507 0.000 -1.079) 4.634 5.373 ( -1.144 0.000 0.971) 1.500 5.529 ( -4.494 0.000 3.548) 5.726 5.833 ( -5.842 0.000 -0.801) 5.897 6.242 ( -6.439 0.000 1.039) 6.523 6.332 ( -2.700 0.000 -0.586) 2.763 6.833 ( -8.329 0.000 -2.627) 8.734 7.998 ( -0.458 0.000 -0.430) 0.628 8.205 ( -2.100 0.000 -4.427) 4.900 8.670 ( 1.910 0.000 -0.291) 1.932 9.097 ( -10.898 0.000 1.025) 10.946 9.315 ( -0.763 0.000 2.629) 2.738 9.466 ( 3.812 0.000 0.074) 3.813 9.660 ( -4.297 0.000 -1.598) 4.585 9.958 ( 6.791 0.000 -1.977) 7.073 10.486 ( 5.671 0.000 2.267) 6.107 10.708 ( -5.889 0.000 0.966) 5.968 10.770 ( 5.806 0.000 1.782) 6.073 11.472 ( -3.087 0.000 2.117) 3.743 11.643 ( 0.039 0.000 -0.175) 0.179 11.713 ( -13.970 0.000 -3.222) 14.336 11.800 ( 0.670 0.000 -3.225) 3.293 12.488 ( 0.125 0.000 -2.108) 2.112 12.558 ( 4.204 0.000 -4.957) 6.499 12.938 ( -0.624 0.000 6.969) 6.996 13.249 ( -4.135 0.000 -0.037) 4.135 13.556 ( 7.697 0.000 4.186) 8.762 13.759 ( -7.349 0.000 1.133) 7.436 14.261 ( 0.609 0.000 1.042) 1.207 14.378 ( 6.164 0.000 0.779) 6.213 14.573 ( 8.384 0.000 -1.781) 8.571 15.280 ( 2.614 0.000 5.781) 6.345 15.626 ( -6.349 0.000 -3.071) 7.053 15.736 ( 2.757 0.000 2.906) 4.006 16.179 ( -6.987 0.000 1.032) 7.063 16.716 ( 18.271 0.000 -0.016) 18.271 17.151 ( 20.518 0.000 -26.908) 33.838 17.389 ( 11.549 0.000 -3.019) 11.937 18.200 ( 3.504 0.000 2.569) 4.344 18.391 ( -10.469 0.000 13.278) 16.908 18.846 ( 0.301 0.000 8.388) 8.394 20.355 ( 1.393 0.000 -4.535) 4.744 20.558 ( -1.106 0.000 -7.292) 7.375 20.872 ( -1.114 0.000 -13.873) 13.918 21.348 ( 4.494 0.000 -0.139) 4.496 21.537 ( 1.303 0.000 14.614) 14.672 22.033 ( -0.261 0.000 8.878) 8.882 22.674 ( -4.591 0.000 -1.999) 5.007 23.075 ( -10.989 0.000 -1.002) 11.035 24.431 ( 9.154 0.000 -8.518) 12.504 24.633 ( 3.692 0.000 -3.526) 5.105 108.573 ( 0.247 0.000 0.075) 0.258 108.650 ( -2.856 0.000 3.988) 4.905 109.422 ( 0.077 0.000 0.159) 0.177 109.516 ( -0.467 0.000 -0.565) 0.733 109.708 ( 0.762 0.000 0.229) 0.795 109.989 ( 4.207 0.000 -5.868) 7.220 ======================= Grid point 65 (23/148) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 25.115 0.000 5.623) 25.737 1.489 ( 30.133 0.000 8.126) 31.209 2.678 ( 34.444 0.000 21.147) 40.418 3.170 ( 13.651 0.000 3.368) 14.060 3.316 ( -2.249 0.000 0.892) 2.419 3.436 ( 7.335 0.000 -3.297) 8.042 3.567 ( -3.868 0.000 -11.873) 12.488 4.132 ( -19.767 0.000 1.813) 19.850 4.319 ( 1.193 0.000 -11.539) 11.600 4.846 ( 8.095 0.000 -0.458) 8.108 5.310 ( -4.856 0.000 0.815) 4.924 5.419 ( -5.454 0.000 3.735) 6.610 5.727 ( -4.551 0.000 -1.732) 4.869 6.014 ( -15.031 0.000 -0.862) 15.055 6.287 ( -0.946 0.000 -2.257) 2.447 6.644 ( -8.920 0.000 -3.360) 9.532 7.920 ( -6.589 0.000 0.327) 6.597 8.177 ( -0.098 0.000 -4.548) 4.549 8.741 ( 4.790 0.000 -0.278) 4.798 8.834 ( -14.813 0.000 -0.276) 14.815 9.310 ( 0.354 0.000 2.193) 2.221 9.522 ( 1.148 0.000 -0.217) 1.169 9.559 ( -4.808 0.000 -1.383) 5.003 10.085 ( 3.752 0.000 -3.208) 4.936 10.650 ( 2.189 0.000 1.504) 2.656 10.661 ( 10.158 0.000 3.340) 10.693 10.928 ( 8.308 0.000 1.581) 8.457 11.213 ( -18.690 0.000 -5.926) 19.607 11.566 ( -1.927 0.000 4.031) 4.468 11.636 ( -0.440 0.000 0.646) 0.782 11.854 ( 2.920 0.000 -1.064) 3.108 12.502 ( 1.345 0.000 -2.472) 2.814 12.536 ( -3.663 0.000 -7.227) 8.102 13.079 ( 11.593 0.000 0.874) 11.626 13.119 ( -8.194 0.000 -0.187) 8.196 13.581 ( -4.199 0.000 8.859) 9.804 13.608 ( -6.257 0.000 0.279) 6.263 14.270 ( -0.473 0.000 3.452) 3.485 14.516 ( 6.253 0.000 0.636) 6.285 14.809 ( 12.360 0.000 -2.906) 12.697 15.328 ( 1.802 0.000 5.344) 5.639 15.491 ( -5.359 0.000 -3.382) 6.337 15.845 ( 6.430 0.000 0.372) 6.440 16.072 ( -3.708 0.000 0.142) 3.711 17.100 ( 17.568 0.000 1.070) 17.600 17.463 ( 12.519 0.000 -18.991) 22.746 17.606 ( 8.921 0.000 -5.309) 10.381 18.266 ( -2.129 0.000 15.768) 15.911 18.284 ( 3.926 0.000 3.283) 5.118 18.840 ( -1.868 0.000 10.458) 10.624 20.389 ( 1.813 0.000 -3.141) 3.627 20.575 ( 2.677 0.000 -8.994) 9.384 20.851 ( 0.766 0.000 -17.251) 17.268 21.481 ( 7.218 0.000 -3.333) 7.950 21.592 ( 2.910 0.000 13.347) 13.660 22.002 ( -3.568 0.000 7.179) 8.017 22.536 ( -8.318 0.000 -0.905) 8.367 22.797 ( -14.437 0.000 0.385) 14.442 24.531 ( 2.647 0.000 -3.535) 4.416 24.690 ( 1.953 0.000 -1.019) 2.203 108.576 ( -0.068 0.000 0.334) 0.341 108.634 ( 0.130 0.000 1.240) 1.247 109.424 ( 0.114 0.000 0.145) 0.185 109.502 ( -0.715 0.000 -0.543) 0.898 109.730 ( 1.227 0.000 0.265) 1.256 110.024 ( 0.602 0.000 -3.353) 3.406 ======================= Grid point 66 (24/148) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 24.033 0.000 -0.175) 24.034 2.130 ( 30.030 0.000 5.474) 30.525 3.041 ( 4.300 0.000 7.307) 8.478 3.211 ( -2.246 0.000 2.608) 3.442 3.377 ( -10.540 0.000 -7.911) 13.178 3.603 ( 11.725 0.000 9.621) 15.167 3.615 ( 1.285 0.000 -3.291) 3.533 3.791 ( -7.241 0.000 0.226) 7.245 4.455 ( 15.391 0.000 -8.276) 17.475 5.043 ( 9.676 0.000 1.255) 9.757 5.200 ( -4.729 0.000 0.282) 4.737 5.319 ( -4.124 0.000 3.365) 5.323 5.638 ( -3.132 0.000 -0.916) 3.263 5.657 ( -17.353 0.000 -1.731) 17.439 6.301 ( 2.338 0.000 -3.414) 4.138 6.475 ( -6.354 0.000 -3.585) 7.296 7.764 ( -7.045 0.000 -0.215) 7.048 8.183 ( 0.719 0.000 -4.903) 4.955 8.464 ( -19.593 0.000 -0.585) 19.602 8.848 ( 4.731 0.000 -0.152) 4.734 9.332 ( 1.246 0.000 0.286) 1.278 9.475 ( -2.613 0.000 -1.826) 3.188 9.524 ( -0.520 0.000 -0.216) 0.564 10.107 ( -0.620 0.000 -2.331) 2.412 10.735 ( -5.562 0.000 -3.168) 6.401 10.878 ( -1.607 0.000 0.337) 1.642 10.879 ( 9.493 0.000 3.433) 10.095 11.088 ( 5.803 0.000 2.264) 6.229 11.555 ( 0.269 0.000 6.767) 6.772 11.641 ( 1.262 0.000 0.620) 1.406 11.856 ( -3.554 0.000 0.503) 3.590 12.504 ( 2.777 0.000 -7.706) 8.191 12.535 ( 1.732 0.000 -2.192) 2.794 12.923 ( -9.653 0.000 -0.259) 9.656 13.342 ( 11.481 0.000 -3.526) 12.011 13.458 ( -6.383 0.000 11.631) 13.267 13.509 ( -3.253 0.000 -0.105) 3.255 14.221 ( -4.959 0.000 4.236) 6.522 14.624 ( 3.754 0.000 0.688) 3.816 15.046 ( 9.901 0.000 -3.456) 10.487 15.379 ( 2.890 0.000 2.876) 4.077 15.415 ( -1.501 0.000 -3.877) 4.158 15.969 ( 4.787 0.000 -0.534) 4.816 16.012 ( -2.065 0.000 -0.386) 2.100 17.434 ( 13.731 0.000 2.137) 13.897 17.603 ( 2.200 0.000 -8.040) 8.336 17.784 ( 8.078 0.000 -11.454) 14.016 18.311 ( 4.293 0.000 14.304) 14.934 18.352 ( 1.933 0.000 3.029) 3.593 18.780 ( -4.619 0.000 11.410) 12.310 20.411 ( 0.262 0.000 -2.567) 2.580 20.644 ( 4.281 0.000 -8.253) 9.297 20.892 ( 4.559 0.000 -18.206) 18.768 21.631 ( 7.126 0.000 -3.296) 7.851 21.686 ( 5.249 0.000 10.778) 11.988 21.900 ( -6.158 0.000 5.594) 8.319 22.333 ( -10.766 0.000 1.027) 10.814 22.498 ( -13.244 0.000 -0.397) 13.249 24.542 ( -1.111 0.000 -2.007) 2.294 24.745 ( 3.271 0.000 2.239) 3.964 108.573 ( -0.210 0.000 0.227) 0.310 108.641 ( 0.295 0.000 0.560) 0.633 109.426 ( 0.130 0.000 0.106) 0.168 109.487 ( -0.657 0.000 -0.481) 0.814 109.756 ( 1.127 0.000 0.305) 1.167 110.028 ( 0.107 0.000 -2.380) 2.383 ======================= Grid point 67 (25/148) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 14.707 0.000 -3.288) 15.070 2.738 ( 26.958 0.000 3.972) 27.250 3.051 ( -2.476 0.000 6.822) 7.257 3.068 ( -18.196 0.000 -4.297) 18.697 3.190 ( 1.035 0.000 2.674) 2.868 3.457 ( -7.551 0.000 -1.294) 7.661 3.659 ( -2.910 0.000 8.408) 8.897 3.868 ( 5.005 0.000 -3.674) 6.209 4.808 ( 13.705 0.000 -7.014) 15.395 5.138 ( -1.086 0.000 -0.159) 1.097 5.161 ( -0.982 0.000 1.387) 1.700 5.275 ( -0.449 0.000 2.708) 2.745 5.347 ( -9.619 0.000 -1.289) 9.705 5.631 ( 2.005 0.000 0.873) 2.187 6.344 ( 0.520 0.000 -4.777) 4.805 6.410 ( 1.625 0.000 0.133) 1.631 7.667 ( -1.994 0.000 -0.583) 2.077 8.095 ( -12.165 0.000 -1.833) 12.302 8.194 ( 0.732 0.000 -4.957) 5.011 8.916 ( 1.417 0.000 -0.347) 1.459 9.338 ( -1.017 0.000 -2.742) 2.924 9.454 ( 0.468 0.000 -0.899) 1.013 9.515 ( -0.050 0.000 0.051) 0.071 10.073 ( -1.889 0.000 -0.782) 2.044 10.528 ( -5.241 0.000 -3.784) 6.465 11.011 ( 4.802 0.000 0.719) 4.855 11.043 ( 5.620 0.000 3.301) 6.518 11.142 ( -0.976 0.000 2.635) 2.810 11.561 ( -2.807 0.000 9.592) 9.994 11.684 ( 1.563 0.000 0.002) 1.563 11.784 ( 1.221 0.000 1.267) 1.759 12.558 ( 0.523 0.000 -1.475) 1.565 12.632 ( 8.590 0.000 -5.727) 10.324 12.767 ( -3.906 0.000 -0.302) 3.918 13.285 ( -6.806 0.000 11.491) 13.355 13.467 ( -0.807 0.000 -0.106) 0.814 13.603 ( 9.415 0.000 -2.831) 9.832 14.072 ( -8.561 0.000 2.363) 8.882 14.675 ( 1.316 0.000 1.019) 1.664 15.198 ( 4.473 0.000 -3.674) 5.788 15.413 ( 1.121 0.000 -3.907) 4.064 15.440 ( 2.035 0.000 1.187) 2.356 15.983 ( -0.730 0.000 -0.621) 0.958 16.031 ( 1.075 0.000 -0.637) 1.249 17.581 ( -3.191 0.000 -8.734) 9.298 17.660 ( 6.863 0.000 4.002) 7.944 17.895 ( 3.038 0.000 -8.264) 8.804 18.361 ( -1.032 0.000 1.419) 1.755 18.416 ( 3.663 0.000 11.702) 12.262 18.676 ( -5.641 0.000 9.627) 11.158 20.403 ( -0.443 0.000 -3.410) 3.439 20.718 ( 2.689 0.000 -8.219) 8.648 20.992 ( 5.428 0.000 -14.923) 15.879 21.762 ( 3.352 0.000 -5.726) 6.635 21.782 ( -2.792 0.000 8.174) 8.638 21.836 ( 8.539 0.000 6.727) 10.871 22.096 ( -11.699 0.000 3.794) 12.299 22.280 ( -6.592 0.000 -0.895) 6.652 24.505 ( -1.785 0.000 -1.641) 2.424 24.809 ( 2.203 0.000 3.659) 4.271 108.568 ( -0.183 0.000 -0.020) 0.184 108.647 ( 0.248 0.000 0.535) 0.589 109.428 ( 0.032 0.000 0.044) 0.054 109.477 ( -0.219 0.000 -0.391) 0.448 109.774 ( 0.465 0.000 0.327) 0.569 110.027 ( -0.001 0.000 -2.071) 2.071 ======================= Grid point 68 (26/148) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -6.016 0.000 1.644) 6.237 2.597 ( -25.529 0.000 -1.819) 25.593 2.979 ( -2.131 0.000 1.875) 2.839 3.255 ( 20.761 0.000 3.624) 21.075 3.328 ( 10.147 0.000 7.710) 12.744 3.392 ( 1.695 0.000 -4.288) 4.611 3.565 ( -6.910 0.000 5.607) 8.899 3.881 ( -3.202 0.000 -3.009) 4.394 4.934 ( -4.020 0.000 -3.639) 5.422 4.998 ( -10.972 0.000 -2.992) 11.373 5.146 ( 1.231 0.000 -1.681) 2.084 5.187 ( -1.346 0.000 1.066) 1.717 5.437 ( 11.958 0.000 2.209) 12.160 5.647 ( -0.633 0.000 1.507) 1.634 6.370 ( 3.721 0.000 -3.116) 4.853 6.461 ( 1.026 0.000 1.639) 1.934 7.638 ( -0.271 0.000 -2.027) 2.045 8.093 ( 11.765 0.000 -1.675) 11.883 8.204 ( 0.528 0.000 -4.622) 4.653 8.901 ( -2.755 0.000 -0.852) 2.883 9.285 ( -3.432 0.000 -4.558) 5.705 9.472 ( 0.948 0.000 0.195) 0.968 9.526 ( 0.958 0.000 0.433) 1.052 10.071 ( 2.103 0.000 -1.116) 2.381 10.554 ( 7.728 0.000 -2.959) 8.275 10.995 ( -6.131 0.000 0.710) 6.172 11.045 ( -6.725 0.000 3.245) 7.467 11.132 ( 0.969 0.000 2.386) 2.575 11.470 ( -3.509 0.000 3.449) 4.920 11.658 ( -3.796 0.000 -0.999) 3.925 11.927 ( 8.091 0.000 8.518) 11.749 12.575 ( 1.200 0.000 -0.836) 1.462 12.774 ( 4.464 0.000 0.008) 4.464 12.800 ( 6.943 0.000 -4.070) 8.048 13.233 ( 2.380 0.000 14.013) 14.213 13.473 ( 1.352 0.000 0.127) 1.358 13.648 ( -7.371 0.000 -0.300) 7.377 13.974 ( 1.998 0.000 -1.443) 2.464 14.688 ( -0.193 0.000 1.481) 1.494 15.223 ( -1.764 0.000 -3.160) 3.619 15.435 ( -2.977 0.000 1.037) 3.152 15.439 ( 1.503 0.000 -3.095) 3.440 15.980 ( 0.487 0.000 -0.682) 0.838 16.016 ( -2.373 0.000 -1.397) 2.753 17.465 ( -6.930 0.000 -14.319) 15.908 17.687 ( -5.337 0.000 6.527) 8.431 17.896 ( -2.476 0.000 -3.489) 4.278 18.343 ( -0.294 0.000 -3.359) 3.372 18.461 ( -0.277 0.000 9.710) 9.714 18.579 ( -3.540 0.000 8.233) 8.961 20.395 ( 0.026 0.000 -3.680) 3.680 20.723 ( -1.464 0.000 -8.422) 8.548 21.068 ( 2.501 0.000 -12.108) 12.364 21.710 ( -1.208 0.000 4.381) 4.545 21.858 ( -10.749 0.000 8.071) 13.441 21.859 ( 2.975 0.000 -0.120) 2.978 22.055 ( 11.320 0.000 2.236) 11.538 22.246 ( 3.274 0.000 -2.441) 4.084 24.475 ( -0.798 0.000 -2.685) 2.801 24.834 ( -0.194 0.000 4.461) 4.465 108.565 ( -0.068 0.000 -0.185) 0.197 108.654 ( 0.455 0.000 0.856) 0.969 109.427 ( -0.140 0.000 -0.014) 0.141 109.478 ( 0.393 0.000 -0.316) 0.504 109.775 ( -0.447 0.000 0.361) 0.574 110.023 ( -0.251 0.000 -2.238) 2.252 ======================= Grid point 69 (27/148) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -20.753 0.000 10.956) 23.468 2.014 ( -29.448 0.000 0.743) 29.457 3.008 ( 2.983 0.000 -0.182) 2.989 3.253 ( -20.843 0.000 8.115) 22.367 3.435 ( 0.276 0.000 -8.906) 8.910 3.576 ( 6.420 0.000 5.550) 8.486 3.609 ( 10.827 0.000 0.577) 10.842 3.846 ( 5.303 0.000 1.848) 5.616 4.584 ( -17.355 0.000 -0.864) 17.377 4.875 ( -6.323 0.000 -5.277) 8.236 5.171 ( 2.825 0.000 -1.625) 3.259 5.259 ( 5.474 0.000 1.513) 5.679 5.651 ( 1.386 0.000 -0.409) 1.445 5.764 ( 17.686 0.000 2.575) 17.873 6.437 ( -1.524 0.000 2.929) 3.302 6.507 ( 7.795 0.000 -3.069) 8.377 7.691 ( 5.098 0.000 -3.668) 6.281 8.207 ( 0.115 0.000 -4.050) 4.051 8.455 ( 19.971 0.000 -0.673) 19.983 8.810 ( -5.430 0.000 -1.428) 5.614 9.214 ( -2.153 0.000 -4.661) 5.134 9.496 ( 1.461 0.000 0.801) 1.666 9.548 ( 0.847 0.000 0.679) 1.086 10.126 ( 2.524 0.000 -2.070) 3.264 10.807 ( -6.296 0.000 2.412) 6.743 10.835 ( 14.189 0.000 -3.481) 14.610 10.851 ( -11.345 0.000 2.135) 11.544 11.100 ( -4.433 0.000 2.992) 5.349 11.442 ( 0.200 0.000 0.272) 0.338 11.579 ( -2.342 0.000 -1.838) 2.977 12.027 ( 0.230 0.000 7.864) 7.868 12.582 ( -0.635 0.000 -0.435) 0.770 12.933 ( 6.407 0.000 0.794) 6.456 12.934 ( 9.655 0.000 0.190) 9.656 13.271 ( -10.040 0.000 -3.146) 10.522 13.525 ( 3.583 0.000 0.505) 3.619 13.547 ( 9.134 0.000 20.069) 22.050 14.068 ( 5.317 0.000 -0.520) 5.342 14.662 ( -2.733 0.000 2.125) 3.461 15.117 ( -8.126 0.000 -1.867) 8.338 15.331 ( -6.107 0.000 0.836) 6.163 15.475 ( 2.394 0.000 -2.094) 3.181 15.932 ( -5.491 0.000 -2.796) 6.162 16.001 ( 1.538 0.000 -0.695) 1.687 17.256 ( -11.894 0.000 -23.068) 25.954 17.468 ( -14.786 0.000 5.598) 15.810 17.794 ( -6.693 0.000 1.031) 6.772 18.300 ( -3.889 0.000 -4.926) 6.276 18.430 ( -2.988 0.000 8.135) 8.667 18.585 ( 3.476 0.000 7.317) 8.100 20.394 ( -0.053 0.000 -3.728) 3.728 20.669 ( -2.370 0.000 -7.298) 7.674 21.072 ( -1.111 0.000 -12.185) 12.236 21.669 ( -7.674 0.000 12.442) 14.618 21.731 ( 2.417 0.000 5.759) 6.245 21.907 ( 1.969 0.000 1.738) 2.627 22.303 ( 11.633 0.000 -0.179) 11.634 22.367 ( 7.280 0.000 -6.081) 9.486 24.465 ( -0.086 0.000 -4.899) 4.899 24.813 ( -1.969 0.000 4.699) 5.095 108.565 ( 0.044 0.000 -0.218) 0.223 108.670 ( 1.117 0.000 1.740) 2.068 109.424 ( -0.155 0.000 -0.011) 0.155 109.490 ( 0.727 0.000 -0.322) 0.795 109.758 ( -1.124 0.000 0.403) 1.194 110.010 ( -0.936 0.000 -3.098) 3.236 ======================= Grid point 70 (28/148) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -30.047 0.000 4.186) 30.337 1.499 ( -24.390 0.000 18.917) 30.867 2.510 ( -43.662 0.000 9.888) 44.768 3.171 ( 6.371 0.000 0.589) 6.398 3.344 ( -5.863 0.000 -8.727) 10.514 3.553 ( -9.339 0.000 12.565) 15.655 3.743 ( 3.551 0.000 -4.266) 5.550 4.138 ( 18.382 0.000 3.379) 18.690 4.406 ( 0.377 0.000 -7.540) 7.549 4.736 ( -5.838 0.000 -4.619) 7.444 5.262 ( 5.388 0.000 -1.370) 5.559 5.374 ( 4.987 0.000 2.188) 5.445 5.692 ( 2.343 0.000 -2.658) 3.543 6.120 ( 14.386 0.000 3.242) 14.747 6.407 ( -0.942 0.000 2.528) 2.698 6.690 ( 8.930 0.000 -1.786) 9.107 7.811 ( 5.890 0.000 -4.457) 7.386 8.207 ( 0.422 0.000 -3.541) 3.566 8.695 ( -4.745 0.000 -1.830) 5.086 8.841 ( 15.456 0.000 -0.250) 15.458 9.214 ( 2.623 0.000 -1.807) 3.185 9.540 ( 2.689 0.000 0.622) 2.760 9.546 ( -1.500 0.000 0.682) 1.648 10.149 ( -1.294 0.000 -1.578) 2.041 10.609 ( -10.714 0.000 1.167) 10.777 10.657 ( -3.047 0.000 1.875) 3.577 10.967 ( -7.800 0.000 3.310) 8.473 11.201 ( 14.514 0.000 -4.025) 15.062 11.483 ( 5.220 0.000 -1.810) 5.525 11.566 ( 0.873 0.000 -2.141) 2.312 11.993 ( -2.327 0.000 5.768) 6.220 12.558 ( -1.434 0.000 -0.371) 1.481 12.914 ( -15.922 0.000 -3.061) 16.214 13.067 ( 0.954 0.000 1.198) 1.531 13.132 ( 8.244 0.000 0.269) 8.249 13.627 ( 6.175 0.000 0.989) 6.253 13.898 ( 17.132 0.000 17.336) 24.373 14.210 ( 9.568 0.000 13.068) 16.196 14.567 ( -6.522 0.000 2.558) 7.005 14.898 ( -11.739 0.000 -0.651) 11.757 15.219 ( -3.902 0.000 0.207) 3.908 15.551 ( 5.150 0.000 -1.614) 5.397 15.780 ( -8.564 0.000 -4.286) 9.577 16.044 ( 2.801 0.000 -0.706) 2.889 16.917 ( -18.332 0.000 -33.566) 38.246 17.117 ( -18.298 0.000 3.031) 18.548 17.631 ( -8.948 0.000 2.968) 9.428 18.205 ( -4.093 0.000 -2.945) 5.043 18.375 ( -1.981 0.000 6.977) 7.253 18.686 ( 4.641 0.000 6.301) 7.826 20.382 ( -0.765 0.000 -4.350) 4.417 20.633 ( -0.349 0.000 -4.662) 4.676 21.017 ( -2.708 0.000 -12.235) 12.531 21.560 ( -3.951 0.000 15.020) 15.531 21.799 ( 2.882 0.000 3.850) 4.810 21.969 ( 4.607 0.000 7.934) 9.175 22.492 ( 4.245 0.000 -11.083) 11.868 22.524 ( 9.174 0.000 -1.426) 9.285 24.452 ( -1.121 0.000 -7.984) 8.062 24.764 ( -2.989 0.000 3.518) 4.617 108.567 ( 0.093 0.000 -0.148) 0.174 108.709 ( 2.601 0.000 3.461) 4.329 109.421 ( -0.091 0.000 0.036) 0.098 109.506 ( 0.711 0.000 -0.389) 0.810 109.732 ( -1.252 0.000 0.408) 1.317 109.972 ( -2.580 0.000 -5.030) 5.653 ======================= Grid point 71 (29/148) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -25.926 0.000 11.351) 28.302 1.026 ( -22.040 0.000 27.064) 34.903 1.526 ( -46.279 0.000 23.379) 51.849 3.219 ( -7.883 0.000 11.919) 14.290 3.240 ( -2.800 0.000 -7.157) 7.685 3.377 ( -0.660 0.000 1.994) 2.100 3.767 ( -0.474 0.000 -7.755) 7.770 4.417 ( -3.566 0.000 -15.877) 16.272 4.518 ( 15.540 0.000 2.195) 15.694 4.645 ( -1.754 0.000 -3.440) 3.861 5.355 ( 2.606 0.000 -0.371) 2.633 5.477 ( 4.985 0.000 2.301) 5.491 5.764 ( 5.822 0.000 -1.040) 5.914 6.318 ( 3.715 0.000 3.786) 5.304 6.398 ( -0.488 0.000 1.784) 1.849 6.854 ( 6.400 0.000 -1.467) 6.566 7.913 ( 4.047 0.000 -3.385) 5.276 8.230 ( 1.853 0.000 -3.655) 4.098 8.632 ( -0.845 0.000 -1.477) 1.702 9.097 ( 9.759 0.000 -0.602) 9.778 9.292 ( 3.453 0.000 1.818) 3.903 9.479 ( -4.482 0.000 0.547) 4.515 9.608 ( 3.952 0.000 0.779) 4.028 10.044 ( -7.712 0.000 0.786) 7.752 10.446 ( -4.426 0.000 0.674) 4.477 10.712 ( 6.207 0.000 -0.102) 6.208 10.806 ( -6.991 0.000 3.217) 7.696 11.350 ( 3.134 0.000 -1.306) 3.395 11.596 ( 1.855 0.000 -1.996) 2.725 11.693 ( 11.726 0.000 -4.839) 12.685 11.990 ( 1.902 0.000 4.944) 5.297 12.526 ( -1.448 0.000 -0.690) 1.604 12.581 ( -12.738 0.000 -3.843) 13.305 13.023 ( -6.312 0.000 3.982) 7.463 13.260 ( 3.812 0.000 0.337) 3.827 13.773 ( 6.823 0.000 1.641) 7.017 14.150 ( 6.530 0.000 -2.219) 6.897 14.410 ( -7.697 0.000 2.049) 7.965 14.507 ( 9.505 0.000 19.918) 22.070 14.642 ( -13.731 0.000 -4.004) 14.303 15.206 ( 2.889 0.000 5.412) 6.135 15.609 ( -2.812 0.000 0.589) 2.873 15.670 ( 5.264 0.000 -1.806) 5.565 16.134 ( 6.580 0.000 -0.468) 6.597 16.427 ( -24.991 0.000 -35.117) 43.102 16.733 ( -17.782 0.000 1.227) 17.825 17.426 ( -10.212 0.000 1.223) 10.285 18.143 ( -1.465 0.000 -1.017) 1.784 18.396 ( 4.373 0.000 6.182) 7.572 18.771 ( 2.901 0.000 6.532) 7.147 20.359 ( -0.904 0.000 -5.173) 5.252 20.645 ( 1.533 0.000 -1.120) 1.898 20.955 ( -2.072 0.000 -11.379) 11.566 21.516 ( -1.589 0.000 15.418) 15.500 21.825 ( -1.498 0.000 -4.787) 5.016 22.124 ( 5.099 0.000 8.654) 10.044 22.529 ( 4.886 0.000 -5.518) 7.371 22.673 ( 4.973 0.000 -2.091) 5.395 24.371 ( -7.325 0.000 -10.672) 12.944 24.687 ( -4.599 0.000 0.627) 4.642 108.568 ( 0.076 0.000 -0.029) 0.081 108.796 ( 5.338 0.000 4.305) 6.857 109.420 ( -0.026 0.000 0.094) 0.098 109.518 ( 0.416 0.000 -0.473) 0.630 109.710 ( -0.794 0.000 0.388) 0.884 109.876 ( -6.502 0.000 -6.696) 9.334 ======================= Grid point 72 (30/148) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -7.593 14.722 24.018) 29.177 0.819 ( -8.951 22.932 17.078) 29.961 1.383 ( 9.583 33.524 31.568) 47.034 2.872 ( -4.323 -14.773 7.384) 17.072 3.364 ( 2.781 9.475 -3.668) 10.534 3.400 ( -1.752 0.949 0.525) 2.061 3.639 ( -3.236 -8.585 -10.734) 14.121 4.181 ( -3.793 -2.204 -7.692) 8.855 4.532 ( -3.379 -8.052 -4.595) 9.867 4.674 ( 7.990 -4.821 4.291) 10.271 5.546 ( -4.165 13.457 -2.482) 14.303 5.683 ( 1.199 8.322 -3.064) 8.949 5.869 ( 3.087 0.139 0.654) 3.159 6.352 ( -0.553 1.643 2.360) 2.928 6.399 ( -2.322 1.934 1.165) 3.239 6.882 ( -0.257 -4.513 -1.530) 4.772 7.991 ( 1.689 1.978 -2.076) 3.328 8.180 ( -1.003 -6.672 -3.298) 7.510 8.512 ( 1.987 -11.145 -0.861) 11.354 9.174 ( -1.141 -6.912 1.580) 7.182 9.293 ( -1.875 -3.226 1.831) 4.156 9.339 ( 2.665 -6.542 0.943) 7.126 9.715 ( 1.049 3.972 -2.051) 4.592 10.019 ( -1.111 9.715 -0.153) 9.780 10.456 ( 0.482 4.043 0.897) 4.170 10.712 ( -1.917 0.159 1.098) 2.215 10.886 ( 0.180 8.159 0.530) 8.178 11.364 ( 3.211 -6.093 0.772) 6.930 11.598 ( -0.008 -3.834 -0.399) 3.855 11.829 ( 1.901 -3.438 -3.225) 5.083 12.004 ( -8.305 3.954 -1.596) 9.336 12.457 ( 6.308 1.299 -3.384) 7.275 12.582 ( -4.583 4.995 1.756) 7.003 12.891 ( -1.394 -1.299 2.726) 3.326 13.335 ( 2.591 0.989 0.988) 2.944 13.588 ( -21.064 -12.122 8.194) 25.647 13.881 ( 0.121 2.315 1.752) 2.906 14.173 ( -15.683 -1.605 -6.445) 17.032 14.296 ( -1.754 -1.531 0.822) 2.469 14.673 ( 4.748 2.970 6.848) 8.846 15.195 ( 0.373 -5.325 5.174) 7.434 15.525 ( 1.803 -11.122 -1.328) 11.345 15.814 ( -0.484 2.289 -5.038) 5.555 16.073 ( 18.353 -0.800 4.859) 19.002 16.490 ( -6.650 9.320 -2.627) 11.747 16.808 ( 13.687 13.510 -2.306) 19.369 17.274 ( -2.004 0.133 -0.670) 2.117 17.841 ( -1.627 -18.716 15.082) 24.091 18.263 ( 2.947 4.731 6.990) 8.940 19.468 ( 6.671 14.973 -12.103) 20.375 20.261 ( 0.787 -7.788 -8.350) 11.446 20.751 ( 2.546 -4.019 -18.535) 19.135 21.005 ( -6.665 17.632 -8.427) 20.648 21.496 ( 0.264 4.371 8.424) 9.494 21.734 ( -22.732 9.890 -5.054) 25.300 22.039 ( 0.578 2.237 7.541) 7.887 22.694 ( 0.770 -4.028 -1.449) 4.350 22.866 ( 17.859 -10.758 2.871) 21.046 24.196 ( 1.678 1.866 1.461) 2.904 24.586 ( -1.417 -2.143 -1.092) 2.792 108.571 ( 0.126 0.177 0.108) 0.243 108.700 ( -3.731 -5.069 4.670) 7.837 109.527 ( 0.008 0.603 -0.507) 0.788 109.537 ( -2.030 5.487 -5.035) 7.719 109.700 ( -0.028 0.043 0.141) 0.150 109.804 ( 4.932 -1.161 -0.124) 5.068 ======================= Grid point 73 (31/148) ======================= q-point: ( 0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 14.139 11.293 14.087) 22.932 1.044 ( 20.459 13.696 15.550) 29.120 1.986 ( 39.269 23.453 24.976) 52.114 2.850 ( 1.987 -14.120 3.985) 14.805 3.317 ( -5.111 -1.792 1.027) 5.513 3.445 ( 4.023 6.079 -4.028) 8.328 3.602 ( 0.487 -3.076 -11.423) 11.840 4.216 ( 4.369 -3.423 -9.959) 11.401 4.416 ( -7.833 -7.230 -2.588) 10.969 4.793 ( 3.647 1.980 4.308) 5.982 5.424 ( -5.968 5.206 -1.715) 8.104 5.606 ( -6.791 5.549 -0.742) 8.801 5.834 ( -4.789 2.493 0.397) 5.414 6.255 ( -8.344 0.823 1.426) 8.505 6.354 ( -2.989 1.791 -0.889) 3.596 6.793 ( -7.352 -3.705 -1.988) 8.470 7.990 ( -1.854 -0.739 -0.505) 2.059 8.152 ( -0.706 -4.923 -3.878) 6.307 8.589 ( 5.230 -6.921 -0.546) 8.692 9.033 ( -10.349 -6.853 0.350) 12.417 9.260 ( -0.124 -4.650 1.973) 5.053 9.450 ( 5.460 -1.770 1.438) 5.917 9.710 ( -1.685 5.431 -3.122) 6.487 10.086 ( 5.282 10.822 -1.161) 12.098 10.522 ( 6.254 3.642 2.105) 7.537 10.656 ( -4.156 -2.263 -0.345) 4.745 10.843 ( -0.868 4.718 2.082) 5.229 11.377 ( -2.262 -7.400 2.133) 8.027 11.603 ( -6.928 -4.002 -2.966) 8.533 11.693 ( -4.905 -3.553 -1.167) 6.168 11.894 ( 0.720 8.888 -3.609) 9.620 12.459 ( -5.608 -0.401 0.110) 5.623 12.602 ( 5.439 2.330 -5.749) 8.250 12.901 ( 0.676 -2.982 5.503) 6.296 13.305 ( -6.376 3.508 0.957) 7.340 13.498 ( 6.971 -5.050 4.564) 9.743 13.788 ( -8.385 2.240 -0.261) 8.683 14.026 ( -1.224 -13.252 0.030) 13.309 14.367 ( 8.871 0.315 0.260) 8.881 14.778 ( 6.261 9.113 1.157) 11.117 15.198 ( -0.323 -7.419 4.111) 8.487 15.574 ( 2.566 -7.183 -0.356) 7.635 15.808 ( 1.302 8.898 -1.923) 9.196 16.191 ( -6.135 0.203 5.324) 8.125 16.686 ( 20.826 1.889 -6.859) 22.008 17.184 ( 17.063 2.630 -13.385) 21.845 17.358 ( 9.635 -2.383 0.437) 9.935 17.852 ( 1.422 -17.198 15.768) 23.376 18.371 ( 6.079 5.605 9.898) 12.898 19.397 ( -11.037 22.638 -3.616) 25.443 20.259 ( -0.275 -8.842 -6.356) 10.893 20.694 ( -7.965 13.052 -13.819) 20.610 20.843 ( 1.804 -2.249 -15.399) 15.667 21.460 ( -2.427 7.209 6.242) 9.840 21.570 ( 2.531 5.049 8.298) 10.038 22.050 ( -0.672 1.887 6.882) 7.168 22.637 ( -5.223 -3.916 -1.499) 6.698 22.967 ( -5.743 -9.132 1.384) 10.876 24.401 ( 10.202 -2.032 -4.550) 11.354 24.593 ( 2.263 -2.984 -1.510) 4.037 108.576 ( 0.242 0.222 0.114) 0.348 108.639 ( -1.538 -0.892 3.096) 3.570 109.477 ( -1.935 4.165 -1.102) 4.723 109.523 ( -0.424 0.735 -0.565) 1.019 109.708 ( 0.766 0.014 0.158) 0.782 109.933 ( 4.498 -4.468 -3.167) 7.087 ======================= Grid point 74 (32/148) ======================= q-point: ( 0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 23.916 4.414 4.546) 24.741 1.566 ( 26.737 7.431 10.044) 29.512 2.788 ( 21.439 5.180 12.964) 25.584 3.011 ( 22.151 -8.696 4.691) 24.255 3.197 ( -5.602 -8.131 2.451) 10.174 3.503 ( 0.590 1.388 -8.244) 8.380 3.659 ( 5.762 9.515 -4.788) 12.110 4.134 ( -13.366 0.820 -0.307) 13.395 4.320 ( 2.508 -1.792 -9.412) 9.904 4.878 ( 5.051 3.399 2.690) 6.656 5.313 ( -4.659 -0.642 -0.752) 4.763 5.463 ( -6.391 3.609 1.621) 7.516 5.715 ( -6.057 0.398 -0.433) 6.085 6.000 ( -15.478 -1.026 -0.886) 15.537 6.291 ( -1.990 0.143 -2.323) 3.063 6.605 ( -9.644 -3.917 -2.925) 10.812 7.909 ( -5.505 -0.684 0.395) 5.561 8.163 ( 1.937 -1.344 -4.351) 4.949 8.708 ( 3.634 -3.807 -0.582) 5.295 8.792 ( -10.881 -3.848 -0.624) 11.558 9.279 ( 1.498 -2.374 1.737) 3.301 9.513 ( -0.132 -0.257 0.384) 0.481 9.656 ( -2.758 8.209 -2.723) 9.078 10.160 ( 1.113 7.342 -2.232) 7.754 10.577 ( -0.571 -5.063 -0.056) 5.095 10.717 ( 11.001 3.964 3.371) 12.169 10.914 ( 5.483 -1.468 2.428) 6.174 11.189 ( -15.484 -2.556 -3.969) 16.187 11.433 ( -1.919 -7.918 0.125) 8.148 11.704 ( 0.358 0.101 3.659) 3.678 11.938 ( 2.041 8.735 -1.924) 9.174 12.364 ( -2.751 -6.745 -2.937) 7.855 12.629 ( -0.563 3.243 -5.553) 6.455 12.994 ( 5.116 -6.326 -1.009) 8.198 13.178 ( -4.758 3.941 1.821) 6.441 13.548 ( -2.564 -2.962 8.432) 9.298 13.625 ( -5.808 1.027 -0.788) 5.951 14.005 ( -1.311 -16.749 1.678) 16.884 14.602 ( 11.034 3.133 -0.571) 11.485 14.945 ( 9.248 9.658 -0.564) 13.384 15.193 ( -0.070 -8.276 2.191) 8.562 15.604 ( 0.643 3.060 -0.591) 3.183 15.891 ( 5.821 6.505 -1.129) 8.802 16.074 ( -4.447 1.782 2.769) 5.533 17.092 ( 17.565 0.149 -3.231) 17.861 17.461 ( 10.932 -0.682 -11.525) 15.900 17.585 ( 10.342 -1.590 -3.375) 10.994 17.921 ( 3.870 -15.470 12.909) 20.517 18.507 ( 5.690 8.908 10.756) 15.081 19.143 ( -11.282 21.795 4.188) 24.897 20.255 ( 0.452 -10.412 -3.467) 10.983 20.633 ( 2.019 5.926 -11.242) 12.868 20.887 ( 2.789 0.863 -18.156) 18.389 21.463 ( 1.734 -3.071 5.826) 6.810 21.649 ( 4.009 7.041 5.779) 9.952 22.008 ( -3.831 0.761 5.959) 7.125 22.484 ( -8.937 -4.657 -0.374) 10.085 22.773 ( -11.234 -2.561 1.133) 11.578 24.524 ( 2.988 -0.568 -3.198) 4.413 24.653 ( 2.903 -3.228 -0.083) 4.342 108.578 ( -0.057 0.223 0.339) 0.410 108.631 ( 0.156 -0.365 1.099) 1.168 109.453 ( -0.570 2.604 -0.172) 2.671 109.510 ( -0.680 0.793 -0.513) 1.164 109.730 ( 1.226 0.002 0.205) 1.243 109.985 ( 1.264 -3.667 -2.615) 4.678 ======================= Grid point 75 (33/148) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 23.757 2.485 -1.132) 23.913 2.146 ( 27.334 1.891 7.632) 28.442 2.931 ( 1.835 -11.308 3.576) 12.001 3.112 ( -2.731 -8.860 1.996) 9.484 3.427 ( -7.268 3.243 -6.284) 10.140 3.571 ( 18.089 5.153 4.673) 19.380 3.733 ( -5.210 5.349 0.548) 7.487 3.871 ( -5.350 6.785 1.207) 8.724 4.491 ( 15.450 2.402 -7.840) 17.491 5.008 ( 5.687 -0.986 1.533) 5.972 5.226 ( -3.184 0.394 -0.141) 3.212 5.343 ( -4.728 1.548 2.132) 5.413 5.600 ( -4.320 -1.622 0.801) 4.683 5.665 ( -14.207 0.307 -1.711) 14.313 6.286 ( 1.621 -1.574 -3.212) 3.927 6.416 ( -7.392 -5.637 -3.446) 9.915 7.785 ( -5.585 2.262 0.011) 6.026 8.212 ( 2.868 2.639 -4.763) 6.154 8.438 ( -18.045 -2.651 -0.811) 18.257 8.839 ( 4.104 -1.443 -0.513) 4.380 9.318 ( 1.916 -0.857 0.050) 2.099 9.480 ( -1.858 0.510 -1.124) 2.230 9.595 ( -2.655 6.725 -1.328) 7.351 10.136 ( -2.533 3.184 -1.512) 4.341 10.628 ( 0.821 -9.143 -1.659) 9.329 10.808 ( -6.516 -2.992 -0.791) 7.214 10.976 ( 8.761 4.366 3.182) 10.293 11.074 ( 3.224 -1.507 2.145) 4.155 11.466 ( 4.572 -4.936 3.274) 7.482 11.686 ( -2.395 -0.432 4.526) 5.139 11.918 ( -3.587 6.664 -0.774) 7.608 12.376 ( 4.176 -5.879 -3.418) 7.980 12.636 ( 2.058 3.782 -5.265) 6.801 12.923 ( -8.230 -0.510 -1.175) 8.329 13.225 ( 4.186 -7.865 -0.413) 8.919 13.450 ( -4.671 -0.475 10.511) 11.512 13.566 ( -0.430 1.904 -1.925) 2.742 13.962 ( -3.305 -16.745 2.296) 17.221 14.774 ( 5.028 7.085 -0.590) 8.708 15.133 ( 7.521 7.249 -1.851) 10.609 15.215 ( 2.656 -6.395 -0.344) 6.933 15.627 ( 1.925 9.100 -0.609) 9.321 15.967 ( -0.423 0.041 0.075) 0.432 16.047 ( 2.839 6.568 0.084) 7.156 17.408 ( 12.539 -2.267 -1.324) 12.810 17.600 ( 2.893 -0.703 -4.464) 5.366 17.780 ( 8.146 -0.330 -6.828) 10.634 18.021 ( 4.359 -14.417 9.664) 17.895 18.618 ( 3.866 11.749 9.292) 15.471 18.943 ( -8.525 15.351 6.696) 18.793 20.267 ( 0.750 -10.475 -3.052) 10.936 20.711 ( 5.338 4.152 -10.355) 12.368 20.932 ( 2.989 2.537 -16.730) 17.183 21.533 ( 4.391 -9.256 2.939) 10.658 21.742 ( 4.256 5.646 5.022) 8.673 21.911 ( -5.206 1.007 4.619) 7.032 22.276 ( -10.582 -4.074 1.578) 11.448 22.534 ( -10.891 1.819 0.520) 11.054 24.541 ( -0.768 -0.033 -1.932) 2.080 24.721 ( 3.465 -2.231 2.129) 4.639 108.575 ( -0.199 0.253 0.228) 0.394 108.637 ( 0.262 -0.410 0.517) 0.710 109.446 ( -0.134 1.852 -0.018) 1.857 109.495 ( -0.643 0.838 -0.441) 1.145 109.756 ( 1.125 -0.004 0.244) 1.152 109.999 ( 0.435 -2.837 -2.104) 3.559 ======================= Grid point 76 (34/148) ======================= q-point: ( 0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 14.510 1.890 -3.908) 15.146 2.686 ( 20.790 -5.605 7.842) 22.916 2.953 ( -0.921 -1.651 1.201) 2.240 3.073 ( 1.131 -7.324 2.987) 7.990 3.202 ( -12.113 2.235 -1.216) 12.378 3.511 ( -9.520 3.221 1.751) 10.202 3.739 ( -0.519 9.133 4.100) 10.024 3.908 ( 4.301 3.854 -4.362) 7.237 4.814 ( 11.799 -0.202 -6.169) 13.315 5.008 ( -5.922 -8.057 -1.444) 10.103 5.193 ( 0.056 1.718 0.567) 1.811 5.312 ( 1.834 3.181 1.399) 3.929 5.436 ( -6.836 5.902 -0.102) 9.032 5.591 ( 1.609 -3.157 2.726) 4.471 6.295 ( -1.753 -5.372 -5.277) 7.732 6.357 ( 3.037 -4.302 0.404) 5.281 7.707 ( -1.695 3.962 -0.394) 4.327 8.092 ( -11.549 -0.259 -2.165) 11.753 8.266 ( 2.301 6.254 -4.384) 7.977 8.890 ( 0.845 -2.846 -0.115) 2.971 9.340 ( -0.181 0.461 -2.794) 2.838 9.454 ( -0.586 -0.059 -1.099) 1.247 9.559 ( -0.441 4.438 -0.189) 4.464 10.072 ( -2.661 0.256 -0.312) 2.691 10.520 ( -3.797 -1.255 -3.298) 5.184 10.858 ( 4.656 -9.680 0.386) 10.749 11.059 ( -1.112 -3.194 3.249) 4.690 11.170 ( 3.924 2.292 2.512) 5.193 11.557 ( -0.194 0.218 8.112) 8.117 11.640 ( 0.495 -3.159 1.065) 3.370 11.871 ( 0.799 7.162 1.123) 7.294 12.475 ( 3.690 -5.021 -1.401) 6.387 12.696 ( 3.096 3.314 -4.146) 6.145 12.795 ( -1.117 2.421 -1.447) 3.033 13.204 ( -4.315 -7.806 4.918) 10.185 13.415 ( -1.087 -2.301 7.764) 8.170 13.627 ( 6.342 -3.459 -3.705) 8.118 13.861 ( -6.419 -11.375 0.876) 13.091 14.826 ( 0.773 8.713 -0.323) 8.754 15.222 ( 2.038 -3.048 -3.196) 4.863 15.297 ( 3.253 3.164 -1.892) 4.916 15.677 ( 2.283 10.907 -0.169) 11.145 15.945 ( -0.815 -0.600 0.143) 1.023 16.099 ( 1.055 7.359 -0.758) 7.473 17.594 ( -1.975 0.077 -2.912) 3.519 17.609 ( 5.684 -4.071 -2.464) 7.413 17.886 ( 1.713 -0.500 -3.038) 3.523 18.100 ( 2.269 -14.140 6.050) 15.546 18.675 ( 0.774 11.997 6.737) 13.781 18.791 ( -6.161 12.424 6.055) 15.132 20.277 ( 0.407 -9.364 -3.423) 9.979 20.806 ( 3.737 5.091 -9.426) 11.346 20.982 ( 2.667 -0.628 -13.643) 13.915 21.633 ( 4.055 -11.688 0.060) 12.372 21.816 ( 1.639 3.448 6.440) 7.487 21.857 ( 1.801 1.756 0.914) 2.677 22.059 ( -10.033 -1.685 4.708) 11.210 22.352 ( -5.522 4.385 0.345) 7.060 24.512 ( -1.497 0.694 -1.576) 2.281 24.785 ( 2.078 -2.358 3.307) 4.563 108.571 ( -0.185 0.268 -0.016) 0.326 108.642 ( 0.204 -0.490 0.475) 0.713 109.445 ( -0.019 1.564 -0.019) 1.564 109.485 ( -0.235 0.838 -0.359) 0.941 109.774 ( 0.470 -0.002 0.267) 0.541 110.003 ( 0.117 -2.420 -1.890) 3.072 ======================= Grid point 77 (35/148) ======================= q-point: (-0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -6.984 0.821 1.332) 7.157 2.627 ( -19.930 2.029 1.403) 20.082 2.954 ( -5.248 -2.203 1.742) 5.952 3.159 ( 8.893 -9.507 7.365) 14.957 3.280 ( 15.452 -1.096 1.420) 15.556 3.445 ( 4.629 2.394 -0.056) 5.212 3.669 ( -6.106 9.762 1.128) 11.570 3.932 ( -1.995 4.603 -3.238) 5.971 4.837 ( -9.779 -8.545 -2.954) 13.319 4.931 ( 0.056 -2.931 -6.147) 6.811 5.218 ( 2.030 3.398 0.948) 4.070 5.305 ( -5.168 9.992 0.571) 11.264 5.449 ( 9.831 1.578 0.930) 10.000 5.598 ( -0.086 -4.592 3.021) 5.497 6.308 ( 3.896 -5.993 -3.569) 7.989 6.416 ( 1.247 -4.238 1.638) 4.712 7.673 ( -0.917 3.730 -2.020) 4.340 8.089 ( 11.176 -0.250 -1.873) 11.334 8.291 ( 0.201 7.547 -3.501) 8.322 8.881 ( -1.613 -2.199 -0.377) 2.753 9.302 ( -2.876 1.728 -4.394) 5.529 9.444 ( -0.293 -1.631 -0.657) 1.783 9.580 ( 2.194 4.513 0.434) 5.037 10.068 ( 2.493 0.043 -0.692) 2.587 10.540 ( 5.781 -1.865 -2.550) 6.588 10.864 ( -4.718 -9.677 0.621) 10.784 11.047 ( 0.174 -3.223 2.796) 4.270 11.134 ( -6.437 1.675 1.698) 6.865 11.519 ( -3.081 3.703 3.576) 5.999 11.644 ( -1.307 -1.285 1.467) 2.348 11.971 ( 7.304 4.141 6.668) 10.722 12.496 ( -1.258 -5.997 -0.903) 6.194 12.775 ( 6.592 2.189 0.103) 6.946 12.884 ( 6.282 4.092 -4.504) 8.746 13.158 ( 1.058 -6.467 9.336) 11.406 13.390 ( -1.898 -7.167 6.001) 9.538 13.705 ( -7.538 -0.066 -1.463) 7.679 13.777 ( 7.282 -9.973 -0.889) 12.381 14.828 ( -0.493 8.509 -0.239) 8.527 15.225 ( -1.581 -4.834 -3.351) 6.091 15.304 ( -2.660 3.117 -1.638) 4.413 15.700 ( -0.365 11.034 0.460) 11.050 15.938 ( 0.015 -0.522 -0.212) 0.563 16.084 ( -2.313 7.412 -1.577) 7.923 17.491 ( -6.690 2.208 -11.247) 13.271 17.656 ( -2.377 -4.271 3.920) 6.266 17.837 ( -5.748 -3.629 0.484) 6.815 18.125 ( -0.238 -13.209 1.659) 13.315 18.640 ( -4.689 8.368 5.364) 10.990 18.732 ( 0.806 14.753 3.290) 15.137 20.279 ( -0.006 -8.654 -3.556) 9.356 20.833 ( -0.273 7.699 -8.872) 11.750 21.010 ( 0.805 -5.432 -11.283) 12.548 21.684 ( 1.808 -3.789 3.919) 5.743 21.813 ( -6.915 -2.652 3.693) 8.276 21.908 ( 1.003 2.631 3.386) 4.404 21.977 ( 7.522 -2.431 1.813) 8.111 22.332 ( 3.347 4.916 -0.385) 5.960 24.485 ( -0.793 1.019 -2.512) 2.825 24.807 ( -0.330 -2.659 4.009) 4.822 108.568 ( -0.085 0.253 -0.178) 0.321 108.648 ( 0.366 -0.616 0.741) 1.030 109.444 ( -0.013 1.628 -0.045) 1.628 109.487 ( 0.367 0.794 -0.305) 0.927 109.774 ( -0.437 0.011 0.302) 0.531 110.000 ( -0.300 -2.340 -2.022) 3.108 ======================= Grid point 78 (36/148) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -20.266 3.085 8.356) 22.138 2.128 ( -26.084 7.511 5.651) 27.725 2.912 ( 1.078 -8.817 0.375) 8.890 3.227 ( -4.807 -7.842 5.874) 10.914 3.375 ( -16.317 2.018 -3.690) 16.851 3.594 ( 7.000 2.937 2.596) 8.022 3.671 ( 12.158 2.840 -1.618) 12.590 3.904 ( 3.214 5.042 1.192) 6.097 4.588 ( -12.930 -0.295 -1.797) 13.057 4.804 ( -9.093 -5.951 -7.065) 12.962 5.259 ( 2.429 6.128 0.798) 6.640 5.296 ( 4.748 4.667 -0.189) 6.661 5.614 ( 4.240 -2.346 1.417) 5.049 5.764 ( 15.931 -0.445 2.240) 16.094 6.408 ( -0.894 -2.959 2.471) 3.958 6.450 ( 8.853 -5.464 -2.765) 10.764 7.706 ( 3.909 2.186 -3.490) 5.678 8.261 ( -2.065 4.466 -2.951) 5.737 8.435 ( 18.566 -2.070 -0.642) 18.692 8.812 ( -5.213 -0.255 -1.353) 5.392 9.241 ( -1.839 2.448 -3.638) 4.755 9.445 ( 0.516 -2.320 -0.852) 2.525 9.639 ( 3.155 6.774 0.590) 7.496 10.142 ( 3.701 1.950 -1.645) 4.495 10.682 ( -1.880 -10.830 1.158) 11.053 10.783 ( 5.591 -3.056 -1.537) 6.554 10.930 ( -8.945 4.863 1.021) 10.233 11.065 ( -1.209 -2.907 1.808) 3.630 11.430 ( -3.538 -1.035 0.729) 3.758 11.633 ( 0.065 3.545 0.518) 3.583 12.096 ( 2.319 6.162 7.624) 10.073 12.456 ( -1.677 -9.566 -1.027) 9.766 12.952 ( 8.142 1.446 -0.309) 8.275 12.996 ( 6.070 3.550 0.422) 7.045 13.201 ( -5.519 -4.681 -0.628) 7.264 13.396 ( 7.794 -12.656 14.825) 20.993 13.606 ( -0.448 4.718 -0.455) 4.761 13.931 ( 7.609 -8.759 4.401) 12.409 14.788 ( -4.151 7.309 -0.104) 8.407 15.151 ( -6.052 -0.839 -2.938) 6.779 15.199 ( -5.444 -2.575 0.270) 6.029 15.669 ( -2.108 9.329 0.295) 9.569 15.943 ( 0.431 -1.750 -1.011) 2.066 16.003 ( -5.145 7.615 -2.700) 9.579 17.288 ( -11.701 2.740 -18.464) 22.031 17.494 ( -12.941 2.144 3.973) 13.705 17.703 ( -6.244 -7.864 2.665) 10.389 18.090 ( -3.069 -13.867 0.398) 14.208 18.515 ( -7.377 7.238 4.841) 11.413 18.810 ( 6.116 14.989 1.209) 16.234 20.270 ( -0.476 -8.717 -3.831) 9.533 20.806 ( -1.149 9.589 -7.285) 12.097 20.993 ( -1.389 -6.830 -10.997) 13.020 21.649 ( -6.557 -0.277 7.630) 10.064 21.760 ( 4.128 0.408 8.798) 9.727 21.942 ( 1.560 3.725 3.017) 5.041 22.179 ( 10.166 -7.266 -3.715) 13.036 22.452 ( 7.151 3.701 -2.250) 8.360 24.471 ( -0.496 0.667 -4.494) 4.570 24.781 ( -2.257 -3.039 4.222) 5.670 108.567 ( 0.016 0.214 -0.204) 0.296 108.661 ( 0.843 -0.926 1.482) 1.940 109.446 ( 0.218 2.043 -0.044) 2.055 109.498 ( 0.711 0.756 -0.322) 1.087 109.757 ( -1.122 0.019 0.339) 1.172 109.984 ( -1.125 -2.528 -2.696) 3.863 ======================= Grid point 79 (37/148) ======================= q-point: (-0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -23.311 11.557 8.224) 27.287 1.587 ( -25.362 8.123 16.657) 31.411 2.621 ( -39.250 11.156 6.163) 41.268 3.022 ( 2.107 -13.904 2.091) 14.217 3.216 ( -2.116 -10.531 -1.846) 10.899 3.605 ( -5.077 7.189 2.342) 9.107 3.832 ( 1.604 2.822 -1.386) 3.529 4.133 ( 15.182 0.496 2.855) 15.456 4.375 ( -5.382 -3.574 -6.948) 9.488 4.650 ( -4.408 -7.218 -6.716) 10.800 5.364 ( 6.891 7.309 1.431) 10.147 5.417 ( 6.636 5.566 -0.382) 8.670 5.704 ( 3.889 1.731 -0.951) 4.362 6.104 ( 14.260 -1.577 3.155) 14.690 6.401 ( 0.529 -0.892 2.123) 2.363 6.651 ( 9.480 -3.939 -1.312) 10.349 7.808 ( 5.689 0.466 -3.878) 6.901 8.208 ( -2.105 0.143 -2.798) 3.505 8.659 ( -7.088 -3.075 -2.075) 8.000 8.808 ( 14.589 -4.412 0.129) 15.242 9.230 ( 0.650 1.317 -0.623) 1.595 9.456 ( 0.059 -2.546 -1.451) 2.931 9.693 ( 1.380 9.003 0.349) 9.115 10.190 ( 0.053 4.293 -1.624) 4.590 10.611 ( -0.022 -4.114 1.384) 4.340 10.664 ( -10.198 4.839 0.859) 11.320 10.909 ( -4.231 -4.712 2.102) 6.672 11.158 ( 10.512 -3.239 -2.407) 11.260 11.440 ( 5.493 -3.328 -1.832) 6.679 11.634 ( -0.146 3.314 -0.444) 3.347 12.090 ( -1.834 9.181 5.779) 11.002 12.430 ( -1.038 -9.502 -1.447) 9.667 12.953 ( -13.243 -0.152 -4.073) 13.856 13.057 ( 1.255 1.221 2.277) 2.873 13.164 ( 7.539 2.510 2.492) 8.327 13.623 ( 6.564 -7.934 6.973) 12.436 13.715 ( 12.206 -7.071 6.165) 15.395 14.129 ( 11.257 -6.152 16.183) 20.650 14.633 ( -10.262 2.757 0.685) 10.648 14.950 ( -11.588 3.800 -1.976) 12.354 15.141 ( -0.827 -5.395 1.011) 5.551 15.626 ( -2.224 2.502 -0.536) 3.390 15.876 ( -5.719 7.552 -4.474) 10.477 15.950 ( -0.008 -2.383 -2.227) 3.261 16.976 ( -15.759 5.076 -24.013) 29.167 17.173 ( -16.680 4.832 0.665) 17.379 17.571 ( -6.967 -5.325 3.627) 9.490 18.004 ( -5.079 -16.358 3.170) 17.419 18.358 ( -7.226 5.851 4.475) 10.319 18.979 ( 9.946 16.421 -1.139) 19.232 20.257 ( -0.376 -8.668 -4.575) 9.808 20.775 ( -1.460 5.908 -8.013) 10.062 20.963 ( 0.189 -0.149 -7.855) 7.859 21.549 ( -3.657 0.415 9.581) 10.264 21.890 ( 7.272 3.983 11.485) 14.164 21.976 ( 1.560 3.363 4.029) 5.475 22.359 ( 6.668 -8.605 -8.027) 13.525 22.593 ( 5.983 2.222 -3.565) 7.311 24.443 ( -2.246 -0.618 -6.837) 7.223 24.723 ( -3.503 -3.708 3.406) 6.134 108.568 ( 0.064 0.166 -0.113) 0.211 108.687 ( 1.533 -1.895 2.870) 3.766 109.457 ( 0.944 3.020 -0.102) 3.166 109.513 ( 0.708 0.752 -0.388) 1.103 109.732 ( -1.261 0.007 0.329) 1.303 109.942 ( -2.792 -2.796 -4.028) 5.643 ======================= Grid point 80 (38/148) ======================= q-point: (-0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -19.966 17.270 12.947) 29.403 1.141 ( -17.802 13.389 24.266) 32.940 1.746 ( -39.340 22.929 15.805) 48.199 2.985 ( -5.627 -17.998 6.799) 20.045 3.271 ( 5.590 -2.223 -2.261) 6.426 3.475 ( -5.696 10.476 0.876) 11.956 3.755 ( -6.214 -3.523 -6.027) 9.346 4.306 ( -3.598 -8.875 -10.445) 14.171 4.446 ( 13.255 -4.915 2.803) 14.412 4.587 ( -1.958 -5.896 -5.750) 8.465 5.520 ( 6.619 10.559 1.135) 12.514 5.576 ( 7.891 10.765 -0.988) 13.384 5.768 ( 3.260 1.771 -1.536) 4.016 6.308 ( 4.729 -0.620 3.179) 5.732 6.424 ( 0.544 1.596 2.266) 2.825 6.817 ( 5.953 -3.554 -1.050) 7.012 7.921 ( 4.920 1.012 -3.238) 5.977 8.186 ( 0.125 -4.201 -2.763) 5.030 8.527 ( -3.854 -8.366 -1.886) 9.402 9.067 ( 9.693 -5.928 0.916) 11.399 9.254 ( 1.606 -2.379 1.789) 3.382 9.412 ( -4.364 -4.193 -0.584) 6.080 9.701 ( 0.144 7.634 -0.769) 7.674 10.119 ( -5.970 6.599 -0.031) 8.899 10.494 ( -4.742 4.556 0.611) 6.604 10.711 ( 4.856 -0.551 1.138) 5.018 10.829 ( -0.207 3.385 1.253) 3.616 11.294 ( 3.410 -4.472 -1.207) 5.752 11.613 ( 0.629 -0.628 -0.825) 1.213 11.659 ( 10.569 -3.730 -4.520) 12.085 12.074 ( -0.311 7.971 4.584) 9.201 12.406 ( -0.592 -4.786 -3.361) 5.878 12.693 ( -9.176 5.313 -1.845) 10.763 13.015 ( -5.976 -0.577 3.910) 7.164 13.283 ( 3.599 1.407 1.678) 4.213 13.741 ( 4.351 -8.892 4.601) 10.917 13.916 ( 2.386 -10.773 2.424) 11.297 14.386 ( -4.352 -3.427 4.295) 7.010 14.451 ( 7.860 -4.744 18.727) 20.856 14.656 ( -17.097 -0.334 -5.312) 17.907 15.157 ( 2.095 -4.208 4.070) 6.218 15.541 ( -4.787 -2.583 -2.999) 6.211 15.813 ( 0.270 -0.302 -5.386) 5.402 15.927 ( -1.653 2.806 -3.317) 4.648 16.655 ( -10.374 11.281 -16.508) 22.525 16.840 ( -13.395 9.317 -1.426) 16.378 17.405 ( -8.652 -1.979 1.430) 8.990 17.899 ( -4.797 -19.224 10.144) 22.260 18.253 ( -2.585 5.145 4.680) 7.420 19.226 ( 13.617 17.675 -6.754) 23.311 20.252 ( 0.385 -8.037 -6.108) 10.102 20.739 ( -0.522 -1.862 -12.013) 12.168 21.001 ( 3.273 12.674 -3.970) 13.679 21.502 ( -1.631 0.748 9.984) 10.144 21.988 ( 0.760 11.488 -0.147) 11.514 22.073 ( 2.635 -4.088 7.046) 8.561 22.455 ( 7.326 -6.626 -3.106) 10.355 22.689 ( 3.435 0.514 -2.516) 4.289 24.336 ( -8.070 -2.186 -6.343) 10.495 24.645 ( -3.824 -3.472 1.228) 5.309 108.569 ( 0.067 0.135 0.030) 0.154 108.723 ( 1.078 -4.714 4.344) 6.500 109.495 ( 3.021 4.662 -1.077) 5.659 109.526 ( 0.527 0.983 -0.544) 1.241 109.709 ( -0.826 -0.009 0.260) 0.866 109.851 ( -5.441 -2.055 -4.456) 7.327 ======================= Grid point 81 (39/148) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -6.387 18.033 22.120) 29.246 1.343 ( -6.342 28.973 8.135) 30.755 2.165 ( 6.277 39.924 13.848) 42.722 2.489 ( -2.970 -22.981 6.797) 24.148 3.161 ( -1.145 -19.871 -1.722) 19.978 3.560 ( -2.540 5.033 -6.327) 8.474 3.696 ( 1.466 14.671 -1.991) 14.878 4.096 ( -0.107 -6.228 -3.582) 7.185 4.296 ( -0.672 -16.799 -2.051) 16.937 4.567 ( 5.301 -5.774 0.514) 7.855 5.752 ( -0.247 6.033 -2.378) 6.490 5.809 ( -4.973 5.617 -5.926) 9.561 6.034 ( 1.770 14.535 1.905) 14.766 6.377 ( 0.372 1.295 1.704) 2.172 6.444 ( -2.036 2.478 1.643) 3.604 6.777 ( -0.529 -6.385 -0.109) 6.407 8.016 ( -1.793 -2.329 -2.788) 4.051 8.024 ( 0.194 -7.004 -2.392) 7.404 8.327 ( 3.302 -3.900 -0.044) 5.111 8.969 ( -0.916 -13.498 0.920) 13.561 9.188 ( -3.055 -5.646 0.557) 6.444 9.230 ( 3.362 -4.724 2.613) 6.360 9.847 ( -0.059 8.179 -3.901) 9.062 10.164 ( 1.071 2.809 -0.656) 3.077 10.584 ( -0.089 8.791 0.103) 8.792 10.777 ( -1.165 7.810 1.084) 7.971 11.078 ( -1.621 10.693 -0.189) 10.817 11.218 ( 1.865 -8.548 -2.136) 9.006 11.477 ( 0.608 -8.337 0.506) 8.374 11.708 ( -0.069 -8.264 -3.151) 8.845 12.158 ( -5.776 10.123 -2.015) 11.828 12.487 ( 6.113 1.137 -4.449) 7.645 12.688 ( -4.397 5.359 4.533) 8.282 12.866 ( -4.927 -1.269 4.873) 7.044 13.292 ( 0.611 -5.437 6.797) 8.725 13.375 ( -2.668 -8.100 2.832) 8.986 13.947 ( -1.229 4.292 0.686) 4.516 14.164 ( -19.774 -0.535 -8.808) 21.654 14.271 ( 0.667 -0.217 1.315) 1.491 14.610 ( 12.137 -7.349 10.039) 17.381 15.073 ( -1.094 -4.492 1.802) 4.962 15.312 ( 0.086 -10.316 0.697) 10.340 15.942 ( 3.821 8.162 -4.833) 10.226 16.118 ( 5.536 2.565 3.351) 6.961 16.721 ( -2.698 13.099 -4.824) 14.218 17.004 ( 6.522 7.305 -0.436) 9.803 17.276 ( -1.355 0.122 0.479) 1.442 17.591 ( -0.203 -9.399 8.292) 12.535 18.437 ( 2.940 12.612 6.479) 14.480 19.469 ( 4.806 -11.585 2.085) 12.714 20.171 ( 1.495 0.850 -10.535) 10.674 20.610 ( 3.356 -8.525 -17.701) 19.931 21.319 ( -7.476 12.355 -8.143) 16.578 21.654 ( 5.674 11.199 7.866) 14.815 21.773 ( -15.103 -3.626 -0.335) 15.536 22.156 ( -2.181 6.715 -1.805) 7.287 22.544 ( 6.042 -8.873 4.570) 11.667 22.724 ( 4.259 -5.153 1.179) 6.789 24.251 ( 1.641 3.715 0.600) 4.105 24.525 ( -0.813 -3.924 -1.029) 4.138 108.578 ( 0.152 0.503 0.249) 0.581 108.638 ( -1.138 -1.931 2.735) 3.537 109.544 ( 0.017 1.039 -0.422) 1.121 109.592 ( -0.964 0.732 -2.386) 2.675 109.709 ( -0.192 0.872 -0.615) 1.084 109.780 ( 1.915 -1.203 -0.278) 2.278 ======================= Grid point 82 (40/148) ======================= q-point: ( 0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 7.976 17.314 14.682) 24.062 1.415 ( 12.198 23.801 7.972) 27.907 2.472 ( 1.361 -21.505 5.258) 22.180 2.537 ( 24.033 24.082 10.371) 35.568 3.124 ( -1.357 -12.589 2.147) 12.843 3.516 ( -0.194 6.084 -8.754) 10.662 3.769 ( 4.663 13.365 -1.038) 14.193 4.135 ( 3.999 -5.721 -6.096) 9.268 4.261 ( -3.327 -9.433 -4.069) 10.799 4.697 ( 7.141 -10.772 7.439) 14.912 5.579 ( -12.108 9.335 -4.936) 16.065 5.700 ( -6.599 4.142 -3.153) 8.405 5.962 ( -7.161 9.444 0.787) 11.878 6.275 ( -10.017 1.416 1.401) 10.213 6.383 ( -4.405 1.029 -0.842) 4.602 6.693 ( -7.204 -6.475 -0.552) 9.702 7.967 ( -2.302 -1.761 -0.643) 2.969 8.042 ( 2.388 -5.384 -3.879) 7.052 8.466 ( 8.302 -4.000 -0.027) 9.216 8.845 ( -8.362 -11.383 0.008) 14.125 9.180 ( 2.525 -2.597 1.184) 3.811 9.383 ( 7.604 -5.102 1.797) 9.332 9.863 ( 1.015 9.329 -4.661) 10.478 10.258 ( 5.945 3.340 -1.012) 6.894 10.623 ( 4.123 6.469 1.202) 7.765 10.697 ( -6.282 8.473 -0.387) 10.555 10.933 ( -6.989 3.731 1.119) 8.001 11.237 ( -1.086 -5.746 0.687) 5.888 11.495 ( -12.102 -6.805 -2.971) 14.198 11.550 ( 0.682 -10.730 -0.894) 10.789 12.112 ( 1.473 12.517 -3.649) 13.121 12.501 ( -10.989 4.304 3.680) 12.363 12.619 ( 5.099 -0.934 -6.482) 8.300 12.832 ( -0.961 -4.076 4.524) 6.165 13.331 ( -1.894 -1.089 3.591) 4.204 13.392 ( 6.528 -4.971 3.753) 9.023 13.810 ( -12.659 -0.886 -4.961) 13.625 13.863 ( -6.399 -2.877 -0.084) 7.017 14.398 ( 10.845 3.249 0.666) 11.341 14.834 ( 9.169 -3.909 3.863) 10.690 15.066 ( 0.776 -3.140 1.253) 3.468 15.391 ( 6.352 -10.037 0.315) 11.882 16.009 ( 3.477 9.758 -1.256) 10.434 16.207 ( 0.012 1.641 5.431) 5.674 16.827 ( 12.814 10.483 -7.294) 18.091 17.229 ( 12.226 1.227 -4.835) 13.205 17.323 ( 6.684 -0.592 3.895) 7.759 17.615 ( 1.827 -9.133 9.230) 13.113 18.551 ( 6.697 12.432 9.355) 16.939 19.512 ( -1.337 -8.826 5.954) 10.730 20.174 ( -0.761 2.683 -9.733) 10.124 20.688 ( 4.856 -8.124 -19.197) 21.403 21.041 ( -14.547 14.880 -11.050) 23.562 21.501 ( -8.826 -1.257 3.542) 9.593 21.764 ( 3.878 11.359 7.326) 14.062 22.111 ( -2.677 3.856 1.631) 4.970 22.528 ( -5.042 -6.228 1.081) 8.086 22.783 ( -1.142 -8.933 2.596) 9.372 24.382 ( 8.258 0.367 -0.924) 8.317 24.533 ( 1.544 -3.200 -1.018) 3.696 108.582 ( 0.201 0.439 0.259) 0.548 108.622 ( -0.471 -0.828 1.839) 2.071 109.537 ( -0.824 1.472 -0.483) 1.755 109.549 ( -1.748 2.082 -1.327) 3.025 109.713 ( 0.688 0.598 -0.135) 0.922 109.848 ( 3.289 -3.890 -1.164) 5.225 ======================= Grid point 83 (41/148) ======================= q-point: ( 0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 19.145 11.583 3.839) 22.704 1.776 ( 19.813 14.086 9.250) 26.011 2.533 ( 4.207 -21.190 2.238) 21.719 2.877 ( 2.129 -15.787 1.466) 15.998 3.328 ( 23.864 21.834 9.588) 33.736 3.536 ( 1.301 3.769 -9.550) 10.349 3.860 ( 2.778 7.958 -1.126) 8.504 4.142 ( -6.862 -0.096 -0.360) 6.873 4.241 ( 7.412 -4.750 -8.444) 12.198 4.874 ( 8.768 -8.141 9.680) 15.390 5.327 ( -10.557 5.295 -5.795) 13.156 5.536 ( -8.201 3.289 -0.876) 8.879 5.784 ( -9.063 6.005 0.470) 10.882 5.990 ( -15.803 0.256 -0.653) 15.819 6.283 ( -3.950 -0.886 -1.908) 4.475 6.495 ( -10.819 -7.050 -1.763) 13.033 7.914 ( -2.602 1.553 0.240) 3.040 8.131 ( 5.716 -1.963 -3.876) 7.180 8.595 ( -1.904 -6.583 -0.504) 6.871 8.698 ( -0.785 -5.807 -1.355) 6.014 9.253 ( 3.699 0.530 1.048) 3.881 9.490 ( 1.912 -2.567 0.337) 3.219 9.852 ( -2.007 11.129 -4.331) 12.109 10.320 ( -0.722 4.721 -1.716) 5.075 10.506 ( -7.727 1.520 -1.194) 7.965 10.807 ( 8.645 4.734 2.996) 10.301 10.875 ( 0.817 -2.122 2.644) 3.487 11.128 ( -9.921 -2.950 -1.516) 10.461 11.286 ( -0.580 -6.859 -0.659) 6.915 11.595 ( 1.130 -10.611 1.821) 10.825 12.157 ( 0.623 12.332 -2.044) 12.516 12.308 ( -5.333 1.363 0.593) 5.537 12.643 ( -0.739 -1.688 -3.726) 4.157 12.853 ( 1.971 -7.849 -2.740) 8.544 13.264 ( -5.015 4.716 2.298) 7.257 13.483 ( 0.244 -3.204 7.541) 8.197 13.625 ( -5.355 -1.289 -3.268) 6.405 13.732 ( -4.103 -10.502 -0.176) 11.277 14.659 ( 12.289 3.440 -0.589) 12.775 15.008 ( 6.364 -6.138 1.201) 8.923 15.127 ( 5.637 4.474 0.392) 7.208 15.529 ( 5.956 -7.956 -0.256) 9.942 16.102 ( 4.869 12.084 -0.960) 13.063 16.174 ( -1.482 7.529 4.553) 8.922 17.121 ( 13.507 2.501 -5.659) 14.856 17.414 ( 7.547 -4.329 -2.877) 9.164 17.565 ( 12.037 -0.370 0.429) 12.050 17.688 ( 4.538 -8.503 9.233) 13.347 18.707 ( 6.828 11.918 10.745) 17.439 19.419 ( -7.621 2.224 6.897) 10.516 20.133 ( -1.672 1.719 -7.147) 7.538 20.735 ( 0.638 -1.362 -18.674) 18.734 20.885 ( 1.378 4.133 -9.437) 10.394 21.370 ( -4.481 -5.845 1.704) 7.560 21.833 ( 2.313 9.700 7.417) 12.428 22.037 ( -4.449 2.115 2.290) 5.433 22.387 ( -7.922 -4.066 1.549) 9.038 22.691 ( -6.882 -5.864 2.067) 9.274 24.513 ( 3.627 -0.413 -2.236) 4.281 24.587 ( 3.573 -3.105 0.572) 4.768 108.584 ( -0.019 0.440 0.365) 0.573 108.621 ( 0.166 -0.605 0.827) 1.039 109.508 ( -1.200 2.683 -0.475) 2.977 109.531 ( -0.665 1.150 -0.463) 1.407 109.734 ( 1.226 0.531 -0.010) 1.336 109.900 ( 1.806 -4.552 -1.535) 5.132 ======================= Grid point 84 (42/148) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 21.551 6.339 -2.250) 22.576 2.214 ( 20.032 4.956 10.064) 22.959 2.650 ( 7.326 -15.566 0.739) 17.220 2.895 ( 1.894 -12.538 3.504) 13.155 3.479 ( -6.778 3.043 -5.065) 8.992 3.729 ( -1.473 2.160 2.234) 3.439 3.850 ( 7.619 11.721 -4.869) 14.804 4.038 ( -3.024 10.340 2.817) 11.135 4.488 ( 15.489 -2.780 -5.038) 16.523 5.064 ( 7.439 0.925 7.249) 10.428 5.127 ( -8.151 -4.798 -5.581) 10.983 5.389 ( -4.325 2.536 -0.133) 5.016 5.608 ( -7.903 1.897 1.505) 8.266 5.693 ( -9.884 2.781 -0.239) 10.271 6.238 ( -0.191 -3.249 -2.618) 4.177 6.279 ( -8.637 -7.503 -3.228) 11.888 7.858 ( -2.730 5.158 0.245) 5.841 8.249 ( 4.059 -1.217 -2.673) 5.010 8.389 ( -11.458 0.010 -2.377) 11.701 8.770 ( 2.998 -5.716 -1.127) 6.552 9.323 ( 2.791 1.687 -0.417) 3.288 9.482 ( -1.612 -0.682 -1.232) 2.140 9.773 ( -4.581 10.822 -2.394) 11.993 10.237 ( -6.818 7.050 -0.246) 9.811 10.426 ( 0.345 -10.821 -1.502) 10.930 10.734 ( -7.207 -5.157 -1.035) 8.922 11.004 ( 1.464 -1.011 2.418) 3.002 11.075 ( 5.831 1.973 2.127) 6.512 11.395 ( 9.177 -2.406 2.931) 9.929 11.594 ( -1.080 -8.021 3.263) 8.727 12.083 ( -4.420 9.008 0.309) 10.039 12.324 ( 3.625 0.531 -0.798) 3.750 12.660 ( 2.980 -1.152 -4.266) 5.329 12.859 ( -1.266 -6.482 -3.624) 7.533 13.136 ( -6.611 -0.039 2.476) 7.059 13.454 ( -2.318 0.363 9.012) 9.313 13.504 ( -5.697 -7.143 -1.884) 9.329 13.732 ( 2.358 -6.409 -2.080) 7.139 14.866 ( 6.984 3.591 -2.128) 8.137 15.097 ( 3.007 -4.427 0.114) 5.353 15.283 ( 7.667 5.570 -1.010) 9.531 15.629 ( 3.603 -6.410 -0.590) 7.377 16.130 ( -0.011 14.305 1.868) 14.427 16.242 ( 5.093 11.777 0.284) 12.835 17.347 ( 8.205 -3.892 -2.624) 9.453 17.549 ( 4.755 -6.272 -0.159) 7.872 17.753 ( 6.317 -3.081 2.321) 7.402 17.815 ( 5.721 -4.053 3.430) 7.805 18.833 ( 4.011 11.120 9.548) 15.196 19.239 ( -9.128 10.484 5.162) 14.828 20.115 ( 0.414 -2.124 -4.960) 5.412 20.752 ( 2.344 -2.198 -14.562) 14.912 20.956 ( 4.262 0.997 -10.438) 11.318 21.321 ( 0.224 -10.659 -1.136) 10.722 21.877 ( 1.172 6.333 8.592) 10.738 21.946 ( -3.577 2.993 0.742) 4.723 22.215 ( -8.334 -1.260 2.797) 8.880 22.529 ( -7.977 -2.672 1.807) 8.605 24.545 ( 0.169 0.521 -1.552) 1.646 24.666 ( 3.457 -3.107 1.593) 4.913 108.583 ( -0.155 0.512 0.231) 0.583 108.625 ( 0.172 -0.703 0.418) 0.835 109.490 ( -0.557 2.373 -0.228) 2.448 109.516 ( -0.633 1.130 -0.350) 1.342 109.760 ( 1.143 0.547 0.036) 1.268 109.927 ( 0.953 -4.195 -1.516) 4.561 ======================= Grid point 85 (43/148) ======================= q-point: ( 0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 13.323 3.234 -4.322) 14.375 2.568 ( 11.756 -5.425 10.921) 16.938 2.879 ( 12.033 -7.623 0.953) 14.276 2.957 ( 5.064 -3.056 4.159) 7.231 3.240 ( -14.764 3.065 -1.442) 15.147 3.521 ( -9.955 -2.207 3.860) 10.903 3.981 ( -2.838 10.827 0.114) 11.193 4.031 ( 5.297 11.197 -9.374) 15.533 4.713 ( 2.786 -8.863 -0.155) 9.292 4.953 ( -4.889 0.071 -9.816) 10.966 5.198 ( 3.532 -0.636 4.302) 5.602 5.387 ( 2.814 1.833 0.516) 3.398 5.465 ( -3.286 0.499 1.433) 3.619 5.619 ( -0.655 5.362 3.141) 6.249 6.154 ( -2.584 -7.571 -4.364) 9.113 6.261 ( 2.110 -5.678 -1.041) 6.146 7.814 ( -1.221 6.524 -0.089) 6.638 8.082 ( -9.516 -0.929 -2.038) 9.776 8.399 ( 4.758 6.708 -3.335) 8.875 8.801 ( 0.421 -6.133 0.295) 6.155 9.361 ( 0.731 1.592 -2.820) 3.320 9.447 ( -1.421 -0.702 -1.658) 2.294 9.696 ( -1.934 9.620 -0.874) 9.851 10.101 ( -4.360 3.030 0.262) 5.316 10.443 ( 0.409 -7.285 -1.969) 7.557 10.663 ( -0.155 -10.176 -0.158) 10.178 10.987 ( -1.308 -2.263 2.116) 3.363 11.175 ( 1.778 -2.195 2.465) 3.749 11.573 ( 4.580 0.848 5.623) 7.302 11.590 ( 1.507 -1.135 3.097) 3.626 12.032 ( -0.339 8.811 1.286) 8.911 12.393 ( 2.291 -3.437 -0.165) 4.134 12.729 ( 3.136 -0.220 -3.924) 5.027 12.840 ( 1.341 1.342 -2.085) 2.819 13.030 ( -2.812 -7.873 2.981) 8.876 13.335 ( -7.397 -9.396 6.072) 13.411 13.491 ( 2.691 -0.770 1.881) 3.372 13.774 ( 1.339 -2.561 -3.101) 4.239 14.945 ( 1.202 4.268 -2.660) 5.171 15.146 ( 1.288 -3.223 -1.872) 3.943 15.403 ( 3.263 4.513 -1.670) 5.814 15.680 ( 1.364 -6.351 -0.584) 6.522 16.147 ( 1.036 17.007 2.019) 17.157 16.317 ( 1.663 13.474 -0.505) 13.586 17.468 ( 3.679 -7.953 0.704) 8.791 17.591 ( -0.826 -4.347 -0.622) 4.468 17.857 ( 3.303 -7.133 0.429) 7.873 17.881 ( -0.118 -1.257 2.697) 2.978 18.876 ( -0.784 9.875 6.380) 11.783 19.076 ( -5.989 12.706 2.606) 14.286 20.131 ( 1.067 -3.480 -3.930) 5.357 20.782 ( 1.198 -8.614 -12.555) 15.273 21.019 ( 2.332 4.426 -8.590) 9.941 21.388 ( 6.072 -11.339 -1.432) 12.942 21.866 ( -1.873 1.768 4.020) 4.774 21.924 ( -0.260 3.323 1.606) 3.700 22.063 ( -5.320 3.159 5.440) 8.239 22.394 ( -4.106 -0.484 1.890) 4.546 24.535 ( -0.767 1.715 -1.221) 2.240 24.723 ( 1.675 -3.728 2.322) 4.701 108.579 ( -0.172 0.565 0.005) 0.590 108.628 ( 0.099 -0.830 0.333) 0.900 109.483 ( -0.134 2.106 -0.155) 2.116 109.506 ( -0.266 1.117 -0.283) 1.182 109.778 ( 0.497 0.578 0.068) 0.766 109.939 ( 0.347 -3.825 -1.433) 4.099 ======================= Grid point 86 (44/148) ======================= q-point: (-0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -5.238 4.092 1.961) 6.931 2.647 ( -9.884 -0.112 7.786) 12.583 2.890 ( -12.461 -5.461 2.665) 13.863 2.948 ( 1.330 -9.712 2.889) 10.219 3.291 ( 16.596 2.197 2.480) 16.923 3.469 ( 6.032 -0.318 2.213) 6.433 3.907 ( -5.472 13.290 -4.230) 14.982 4.051 ( -1.979 8.013 -6.350) 10.414 4.654 ( -5.216 -9.638 -2.379) 11.214 4.873 ( -4.581 -4.521 -9.994) 11.887 5.262 ( 2.714 1.310 3.674) 4.752 5.454 ( 4.434 -0.001 2.992) 5.350 5.524 ( 7.403 4.387 -0.871) 8.649 5.539 ( -6.652 5.769 3.764) 9.576 6.167 ( 4.188 -7.294 -3.792) 9.226 6.303 ( 1.350 -7.042 0.799) 7.214 7.781 ( -1.187 6.854 -1.610) 7.140 8.079 ( 9.034 -1.124 -1.865) 9.292 8.446 ( -0.665 7.405 -1.573) 7.600 8.809 ( 0.343 -5.062 0.742) 5.128 9.347 ( -1.818 2.503 -3.590) 4.739 9.421 ( -0.669 -0.759 -1.952) 2.199 9.704 ( 2.774 8.450 -0.794) 8.929 10.095 ( 3.847 3.242 -0.003) 5.031 10.442 ( -0.378 -8.707 -1.676) 8.875 10.665 ( 0.323 -10.056 -0.174) 10.063 10.985 ( 1.016 -1.296 1.879) 2.499 11.158 ( -3.448 -0.438 1.842) 3.933 11.561 ( -6.132 0.375 1.602) 6.349 11.629 ( 1.582 -0.061 6.726) 6.910 12.074 ( 4.173 6.171 3.201) 8.109 12.398 ( -1.588 -3.519 0.174) 3.864 12.835 ( 8.099 2.124 -1.094) 8.444 12.907 ( 4.253 -0.675 -1.462) 4.548 13.014 ( -0.356 -8.319 4.314) 9.378 13.219 ( -2.855 -8.113 3.412) 9.253 13.578 ( 4.868 -2.326 5.756) 7.889 13.778 ( -0.322 -0.121 -3.130) 3.149 14.937 ( -1.427 3.298 -3.039) 4.706 15.126 ( -3.300 -4.256 -2.842) 6.089 15.408 ( -2.649 4.914 -1.413) 5.759 15.685 ( -0.923 -6.644 -0.427) 6.722 16.155 ( -0.854 16.902 2.125) 17.057 16.308 ( -2.318 14.139 -1.196) 14.378 17.508 ( -1.162 -9.113 -0.208) 9.189 17.517 ( -4.663 -1.408 -0.981) 4.969 17.802 ( -7.582 -0.811 3.257) 8.291 17.886 ( -0.664 -9.529 -1.800) 9.720 18.816 ( -4.884 9.428 3.795) 11.276 19.008 ( -0.642 11.161 -0.268) 11.182 20.144 ( 0.410 -3.235 -3.717) 4.945 20.779 ( -0.599 -12.823 -12.493) 17.913 21.045 ( 1.148 8.468 -5.511) 10.168 21.547 ( 8.266 -8.676 2.247) 12.193 21.796 ( -5.930 0.761 2.564) 6.505 21.902 ( 0.512 -1.544 0.498) 1.702 22.052 ( 2.726 7.186 5.095) 9.221 22.383 ( 2.681 0.005 1.442) 3.044 24.517 ( -0.801 2.213 -1.878) 3.011 24.737 ( -0.598 -4.217 2.762) 5.076 108.576 ( -0.104 0.581 -0.138) 0.607 108.631 ( 0.184 -0.994 0.471) 1.116 109.484 ( 0.195 2.124 -0.139) 2.138 109.506 ( 0.317 1.075 -0.270) 1.152 109.779 ( -0.412 0.608 0.110) 0.743 109.938 ( -0.368 -3.713 -1.485) 4.016 ======================= Grid point 87 (45/148) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -14.066 10.186 8.603) 19.381 2.259 ( -23.023 5.549 8.843) 25.279 2.707 ( -5.142 -11.154 2.399) 12.514 2.972 ( -0.994 -15.248 4.842) 16.029 3.537 ( -6.373 9.486 -1.759) 11.563 3.654 ( 2.082 3.624 0.803) 4.256 3.720 ( 5.915 3.641 -5.492) 8.855 4.025 ( 0.715 7.483 -0.271) 7.522 4.540 ( -5.250 -5.186 -3.823) 8.311 4.650 ( -15.626 -10.221 -9.371) 20.892 5.337 ( 4.791 4.270 2.754) 6.983 5.468 ( 2.514 9.857 0.602) 10.191 5.600 ( 7.987 0.840 3.118) 8.615 5.751 ( 13.791 -0.341 1.361) 13.862 6.311 ( 6.417 -7.267 -2.826) 10.098 6.325 ( 4.191 -5.933 1.900) 7.508 7.795 ( 2.291 6.873 -2.243) 7.584 8.304 ( 4.004 -3.616 -0.239) 5.401 8.416 ( 4.668 3.333 -1.503) 5.929 8.776 ( -4.622 -3.802 -0.821) 6.041 9.296 ( -2.302 2.981 -1.153) 3.939 9.424 ( 0.952 -0.190 -3.032) 3.183 9.799 ( 5.677 9.196 -1.408) 10.898 10.220 ( 5.890 6.160 -0.933) 8.574 10.438 ( 1.648 -12.780 -0.594) 12.899 10.711 ( 4.012 -4.852 -1.228) 6.415 11.002 ( -3.385 1.360 1.798) 4.067 11.044 ( -3.508 2.594 0.790) 4.434 11.398 ( -7.001 -2.028 1.284) 7.401 11.642 ( -0.907 -4.318 4.113) 6.032 12.191 ( 5.691 1.997 3.532) 6.989 12.357 ( -1.867 2.240 1.592) 3.323 12.914 ( -2.321 -6.958 0.519) 7.353 13.043 ( 8.594 3.216 2.296) 9.459 13.079 ( 6.708 -10.630 5.595) 13.759 13.218 ( 1.798 -0.863 -0.723) 2.121 13.667 ( 2.283 1.307 4.942) 5.599 13.815 ( 5.813 -3.109 4.490) 7.976 14.866 ( -6.309 1.404 -2.765) 7.030 15.019 ( -5.420 -6.957 -2.865) 9.273 15.298 ( -7.301 6.044 -0.392) 9.486 15.637 ( -3.658 -7.333 -0.338) 8.202 16.107 ( -3.735 13.796 0.459) 14.300 16.228 ( -4.812 13.622 -1.203) 14.497 17.335 ( -10.228 1.053 -9.298) 13.863 17.491 ( -2.629 -5.354 2.525) 6.477 17.583 ( -12.317 -0.487 2.841) 12.650 17.831 ( -4.328 -11.908 -0.973) 12.707 18.689 ( -7.253 10.086 2.953) 12.769 19.045 ( 4.164 7.251 -2.268) 8.664 20.141 ( -0.278 -2.760 -4.588) 5.361 20.732 ( -2.912 -13.548 -13.669) 19.465 21.084 ( 3.409 12.803 -1.919) 13.387 21.672 ( -5.050 2.312 4.563) 7.188 21.717 ( 7.106 -4.474 7.364) 11.169 21.959 ( 4.582 -5.033 -0.131) 6.807 22.137 ( 4.541 5.494 0.687) 7.161 22.480 ( 5.712 -0.959 -0.035) 5.792 24.494 ( -1.362 1.755 -3.318) 3.993 24.704 ( -2.610 -4.485 2.806) 5.899 108.575 ( -0.019 0.576 -0.135) 0.592 108.638 ( 0.395 -1.299 0.933) 1.647 109.492 ( 0.701 2.375 -0.155) 2.482 109.517 ( 0.708 1.060 -0.306) 1.311 109.762 ( -1.123 0.609 0.136) 1.285 109.919 ( -1.332 -3.775 -1.814) 4.395 ======================= Grid point 88 (46/148) ======================= q-point: (-0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -22.957 10.510 11.589) 27.781 1.808 ( -14.711 17.811 14.024) 27.024 2.641 ( -3.299 -17.385 4.923) 18.367 2.910 ( -15.182 -4.924 -0.028) 15.961 3.063 ( -13.396 11.061 1.676) 17.452 3.753 ( 0.622 4.213 0.367) 4.274 3.845 ( -0.537 2.265 -3.352) 4.081 4.125 ( 8.257 -1.944 -1.100) 8.554 4.268 ( -13.131 -8.241 -4.682) 16.194 4.488 ( -2.109 -8.259 -7.464) 11.330 5.472 ( 7.808 5.872 1.182) 9.841 5.610 ( 9.767 10.144 0.384) 14.087 5.770 ( 7.359 5.088 0.792) 8.981 6.067 ( 14.644 -1.825 2.286) 14.933 6.363 ( 3.231 -2.891 1.365) 4.545 6.538 ( 10.421 -7.307 -0.314) 12.731 7.860 ( 3.973 5.151 -1.770) 6.742 8.212 ( -6.416 0.005 -1.333) 6.554 8.577 ( -5.591 -5.521 -1.004) 7.921 8.675 ( 6.243 -7.764 -1.480) 10.072 9.253 ( -2.041 1.336 1.379) 2.802 9.427 ( -1.515 -1.428 -2.616) 3.343 9.889 ( 1.827 10.462 -2.002) 10.808 10.286 ( 0.663 2.830 -2.682) 3.955 10.544 ( 7.343 0.065 0.415) 7.355 10.765 ( -1.842 3.123 0.107) 3.627 10.838 ( -4.483 -0.024 1.165) 4.632 11.109 ( 6.347 -1.130 -0.411) 6.460 11.351 ( 3.517 -5.619 -0.506) 6.648 11.604 ( -2.817 -7.494 1.391) 8.126 12.293 ( 3.718 3.386 1.538) 5.259 12.323 ( -1.548 7.201 2.574) 7.803 12.858 ( -3.532 -7.524 0.300) 8.317 13.112 ( -3.348 -0.410 4.666) 5.758 13.196 ( 5.563 0.456 3.315) 6.492 13.342 ( 7.517 -9.668 2.085) 12.423 13.746 ( 6.439 3.378 3.038) 7.881 14.008 ( 10.645 -5.845 13.744) 18.340 14.648 ( -13.004 -0.186 -1.275) 13.067 14.900 ( -7.997 -8.084 -3.519) 11.903 15.141 ( -5.850 4.698 1.119) 7.586 15.532 ( -6.269 -8.699 -0.162) 10.724 16.003 ( -5.700 9.950 -4.133) 12.189 16.129 ( -3.966 10.949 0.005) 11.646 17.091 ( -11.424 6.312 -13.104) 18.495 17.272 ( -14.153 4.828 -1.350) 15.015 17.454 ( -3.742 -5.953 4.307) 8.245 17.716 ( -6.071 -12.776 2.597) 14.381 18.535 ( -6.993 11.467 2.860) 13.732 19.166 ( 7.221 1.467 -2.727) 7.857 20.134 ( 0.222 -2.082 -6.375) 6.710 20.648 ( -3.356 -12.043 -14.822) 19.390 21.196 ( 7.145 16.975 -0.018) 18.418 21.592 ( -2.967 3.786 5.504) 7.310 21.863 ( 5.834 -3.922 10.919) 12.986 22.083 ( 7.072 -2.334 2.796) 7.954 22.222 ( 3.140 1.098 -5.420) 6.359 22.595 ( 4.792 -2.073 -1.311) 5.384 24.441 ( -3.738 0.733 -4.478) 5.879 24.638 ( -3.718 -4.688 2.187) 6.370 108.575 ( 0.026 0.562 0.002) 0.562 108.648 ( 0.426 -1.891 1.750) 2.611 109.514 ( 1.408 2.401 -0.284) 2.798 109.534 ( 0.933 1.261 -0.367) 1.611 109.736 ( -1.262 0.584 0.088) 1.394 109.877 ( -2.592 -3.541 -2.338) 4.973 ======================= Grid point 89 (47/148) ======================= q-point: (-0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -18.689 15.511 18.664) 30.631 1.547 ( -11.512 24.235 12.341) 29.532 2.338 ( -22.292 32.232 6.655) 39.751 2.575 ( -5.450 -22.173 6.865) 23.843 3.119 ( 5.581 -13.514 0.973) 14.653 3.669 ( -7.995 -1.712 -5.427) 9.814 3.730 ( -4.278 13.078 -1.891) 13.890 4.119 ( -1.467 -10.330 -4.884) 11.521 4.292 ( 3.109 -12.307 0.269) 12.696 4.474 ( 2.428 -4.315 -5.168) 7.157 5.649 ( 8.183 5.754 -1.598) 10.130 5.820 ( 6.759 4.626 0.194) 8.193 5.901 ( 6.737 15.652 -0.726) 17.055 6.303 ( 6.854 0.314 2.324) 7.244 6.439 ( 2.756 -0.145 2.094) 3.465 6.717 ( 6.048 -6.643 0.098) 8.984 7.955 ( 4.749 2.063 -1.704) 5.451 8.093 ( -4.309 -4.465 -2.034) 6.530 8.382 ( -7.898 -4.837 -2.214) 9.523 8.863 ( 8.475 -13.266 0.821) 15.763 9.207 ( -2.214 -2.142 2.462) 3.944 9.336 ( -6.520 -4.027 -0.737) 7.699 9.876 ( -1.804 9.428 -3.229) 10.127 10.225 ( -5.136 1.914 -1.589) 5.707 10.613 ( -2.608 7.407 0.456) 7.867 10.750 ( 3.705 6.561 1.061) 7.609 10.922 ( 10.039 4.451 -0.253) 10.985 11.209 ( 1.952 -3.192 -0.647) 3.797 11.527 ( -2.250 -9.491 -1.746) 9.910 11.542 ( 10.461 -6.491 -1.450) 12.397 12.269 ( -3.587 10.848 3.620) 11.985 12.383 ( 4.480 2.030 -3.032) 5.778 12.756 ( -4.940 0.800 -0.450) 5.025 13.012 ( -6.557 -0.186 6.423) 9.181 13.279 ( 1.817 -2.841 4.605) 5.708 13.426 ( -0.337 -13.979 4.145) 14.585 13.905 ( 5.831 3.353 2.109) 7.049 14.258 ( 9.666 -7.904 11.154) 16.743 14.405 ( -5.892 -0.304 4.183) 7.232 14.611 ( -18.283 -4.010 -6.292) 19.747 15.089 ( -0.638 -1.748 2.678) 3.261 15.390 ( -6.472 -10.049 0.398) 11.959 15.906 ( -1.644 9.246 -7.414) 11.966 16.074 ( -0.996 6.347 0.794) 6.473 16.864 ( -8.933 10.615 -8.731) 16.392 17.020 ( -7.908 8.157 -2.467) 11.625 17.356 ( -5.407 -2.801 2.112) 6.446 17.617 ( -3.135 -10.940 6.762) 13.238 18.430 ( -2.707 12.378 3.934) 13.267 19.328 ( 7.893 -6.031 -1.583) 10.059 20.145 ( 1.417 -0.777 -8.807) 8.954 20.591 ( -0.433 -9.780 -16.034) 18.786 21.346 ( 5.218 18.041 -3.920) 19.186 21.563 ( 0.537 5.239 8.745) 10.208 21.944 ( -0.487 -6.837 6.824) 9.672 22.221 ( -1.913 7.608 -5.889) 9.809 22.294 ( 12.090 -7.068 4.635) 14.752 22.669 ( 2.475 -2.706 -1.250) 3.874 24.325 ( -6.373 1.337 -2.677) 7.041 24.566 ( -2.894 -4.479 0.449) 5.351 108.576 ( 0.051 0.535 0.180) 0.567 108.653 ( -0.293 -2.527 2.601) 3.638 109.538 ( 0.607 1.158 -0.424) 1.374 109.568 ( 2.393 1.703 -0.990) 3.099 109.715 ( -0.641 0.700 -0.129) 0.958 109.809 ( -3.316 -2.066 -2.124) 4.447 ======================= Grid point 90 (48/148) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -5.045 24.367 13.602) 28.359 1.918 ( -4.438 22.812 3.108) 23.447 2.014 ( -3.418 -18.427 9.025) 20.801 2.475 ( -2.798 -20.443 1.678) 20.701 3.130 ( 5.543 29.257 6.372) 30.452 3.663 ( 5.497 -3.193 -2.970) 7.017 3.791 ( -1.346 -14.837 1.114) 14.940 3.852 ( -0.531 -5.658 -3.853) 6.866 4.180 ( 0.106 9.872 -2.052) 10.083 4.410 ( 1.912 -10.573 -1.602) 10.863 5.844 ( -0.122 3.669 -3.361) 4.977 5.878 ( -2.756 0.728 -4.302) 5.161 6.307 ( -1.384 10.926 0.082) 11.014 6.399 ( -0.141 0.117 0.598) 0.625 6.498 ( -0.635 3.686 2.532) 4.517 6.629 ( -0.454 -8.415 1.572) 8.573 7.908 ( -1.649 -2.781 -2.262) 3.945 7.930 ( -1.208 -4.615 -2.731) 5.497 8.415 ( 2.553 10.647 0.069) 10.950 8.678 ( 0.733 -15.077 0.285) 15.098 9.122 ( -1.173 -0.962 1.217) 1.945 9.147 ( 0.542 -3.227 1.966) 3.818 10.005 ( 0.258 7.490 -3.329) 8.200 10.131 ( 0.998 -4.916 -1.874) 5.355 10.784 ( -0.558 11.128 -1.603) 11.257 10.963 ( -0.018 1.606 -0.080) 1.608 11.060 ( -0.747 0.918 -1.699) 2.070 11.263 ( 0.461 -6.583 0.580) 6.625 11.314 ( -0.131 6.052 -0.732) 6.098 11.521 ( -1.141 -10.526 -2.080) 10.790 12.356 ( -2.829 9.061 -2.560) 9.832 12.477 ( 2.145 -2.906 -4.266) 5.590 12.771 ( -2.294 3.108 7.295) 8.255 12.830 ( -5.598 -2.784 8.514) 10.563 13.205 ( 1.439 -0.724 3.573) 3.919 13.259 ( -0.228 -4.818 1.224) 4.976 14.041 ( -5.942 4.871 -1.384) 7.807 14.125 ( -13.152 -3.389 -4.772) 14.395 14.314 ( 3.110 4.685 0.431) 5.639 14.446 ( 9.967 -8.268 4.366) 13.666 15.048 ( -0.772 1.860 1.990) 2.831 15.138 ( -0.041 -7.043 1.909) 7.297 16.076 ( 2.943 5.115 -0.375) 5.913 16.137 ( 3.009 -0.983 2.050) 3.771 16.959 ( -0.274 10.106 -4.527) 11.077 17.077 ( 2.286 -1.032 -2.946) 3.869 17.304 ( 0.022 3.778 2.880) 4.750 17.425 ( 0.283 -7.751 4.361) 8.898 18.747 ( 2.991 18.499 6.632) 19.878 19.135 ( 3.313 -19.927 5.877) 21.038 20.267 ( 2.835 7.519 -12.123) 14.544 20.435 ( 3.384 -9.051 -14.574) 17.487 21.513 ( -7.650 8.264 -3.286) 11.731 21.660 ( -8.984 -6.771 0.972) 11.292 21.910 ( 4.182 13.435 3.053) 14.398 22.146 ( 1.482 -8.948 -0.620) 9.091 22.489 ( 1.819 4.432 3.496) 5.930 22.612 ( 0.868 -6.460 1.022) 6.598 24.338 ( 0.892 4.913 -0.236) 4.999 24.437 ( -0.016 -4.966 -0.782) 5.027 108.591 ( 0.014 0.812 0.628) 1.027 108.610 ( -0.333 -1.148 1.369) 1.818 109.566 ( 0.004 1.187 -0.424) 1.260 109.587 ( -0.197 -0.850 -0.803) 1.186 109.731 ( -0.083 1.273 -0.849) 1.532 109.756 ( 0.532 -1.274 -0.615) 1.512 ======================= Grid point 91 (49/148) ======================= q-point: ( 0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 4.867 23.218 9.567) 25.579 1.923 ( 5.124 21.661 2.495) 22.399 2.002 ( 1.701 -19.190 6.620) 20.371 2.460 ( 0.992 -24.169 0.560) 24.196 3.378 ( 16.544 29.324 6.941) 34.377 3.681 ( -0.610 9.742 -6.114) 11.518 3.857 ( 0.614 -8.180 -4.696) 9.453 3.921 ( 9.601 -20.129 1.852) 22.378 4.199 ( 2.098 10.490 -0.342) 10.703 4.450 ( 3.013 -13.153 3.650) 13.979 5.725 ( -10.356 4.638 -4.423) 12.179 5.757 ( -7.544 1.101 -3.932) 8.578 6.161 ( -10.497 9.582 -1.062) 14.252 6.284 ( -10.830 -2.225 -0.858) 11.090 6.418 ( -6.375 3.914 1.554) 7.640 6.546 ( -7.361 -8.018 1.435) 10.979 7.934 ( 2.686 -0.714 -1.550) 3.183 7.958 ( 4.058 -3.046 -3.429) 6.124 8.469 ( 2.867 4.443 0.187) 5.291 8.622 ( -4.116 -10.407 -0.000) 11.192 9.179 ( 5.864 2.549 1.005) 6.472 9.268 ( 8.078 -5.900 1.330) 10.091 10.050 ( 3.177 9.249 -4.119) 10.612 10.209 ( 5.081 -6.414 -2.503) 8.557 10.772 ( 0.423 8.179 0.506) 8.206 10.914 ( -3.973 -3.568 0.777) 5.397 10.965 ( -7.819 14.101 -1.501) 16.193 11.219 ( -3.755 3.415 0.425) 5.093 11.282 ( -6.991 -13.966 -2.521) 15.820 11.358 ( -5.926 -7.798 0.024) 9.794 12.355 ( 1.921 11.502 -3.594) 12.203 12.536 ( 0.229 -6.073 -2.810) 6.695 12.619 ( -7.176 5.590 2.733) 9.498 12.737 ( -5.176 -5.669 4.321) 8.809 13.298 ( 4.983 -0.918 3.787) 6.325 13.317 ( 5.896 -2.645 2.346) 6.875 13.804 ( -13.675 1.001 -4.539) 14.444 13.834 ( -12.074 -1.580 -2.252) 12.383 14.503 ( 11.565 7.431 1.276) 13.806 14.677 ( 10.298 -9.669 2.383) 14.325 15.091 ( 4.830 4.287 1.251) 6.579 15.212 ( 6.400 -7.861 0.975) 10.184 16.161 ( 4.907 5.551 1.352) 7.531 16.224 ( 4.092 -0.805 3.356) 5.353 17.040 ( 7.185 10.236 -5.293) 13.580 17.195 ( 7.009 -4.966 -4.163) 9.545 17.355 ( 5.988 3.622 5.195) 8.716 17.458 ( 3.086 -6.833 5.491) 9.293 18.849 ( 5.562 17.495 9.103) 20.491 19.212 ( 3.127 -18.557 8.481) 20.642 20.310 ( 1.772 9.299 -10.770) 14.339 20.504 ( 4.061 -10.050 -13.771) 17.525 21.286 ( -12.683 9.953 -8.157) 18.068 21.436 ( -10.651 -5.406 -2.589) 12.222 21.971 ( 1.296 9.711 6.491) 11.752 22.126 ( -2.748 -4.494 1.203) 5.403 22.479 ( -2.872 3.364 2.678) 5.171 22.613 ( -1.431 -8.413 1.972) 8.759 24.411 ( 5.217 2.397 -0.400) 5.755 24.469 ( 2.787 -3.232 -0.750) 4.333 108.593 ( 0.109 0.621 0.551) 0.838 108.606 ( -0.067 -0.744 1.039) 1.280 109.561 ( -0.461 0.998 -0.400) 1.170 109.572 ( -1.051 0.117 -0.754) 1.298 109.736 ( 0.731 1.817 -0.555) 2.036 109.782 ( 1.660 -2.846 -0.739) 3.377 ======================= Grid point 92 (50/148) ======================= q-point: ( 0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 12.946 17.977 3.085) 22.367 2.087 ( 6.212 -5.263 4.987) 9.548 2.126 ( 12.852 2.929 3.353) 13.602 2.509 ( 3.780 -20.384 3.156) 20.971 3.646 ( 0.028 8.764 -7.157) 11.316 3.785 ( 10.286 15.633 2.229) 18.846 3.841 ( 3.645 -3.098 -5.970) 7.650 4.111 ( 8.525 -10.123 -5.921) 14.499 4.274 ( 5.435 13.051 5.732) 15.255 4.589 ( 9.517 -17.642 10.085) 22.439 5.477 ( -11.768 7.198 -4.378) 14.472 5.562 ( -9.809 -1.264 -2.636) 10.235 5.915 ( -12.165 6.487 -0.915) 13.817 5.994 ( -15.039 -1.024 -0.951) 15.104 6.274 ( -6.471 0.944 -0.613) 6.569 6.351 ( -10.110 -6.604 -0.296) 12.080 7.975 ( 1.411 4.541 -0.546) 4.787 8.071 ( 5.696 -4.386 -2.398) 7.578 8.514 ( -0.976 -0.429 -0.976) 1.446 8.576 ( 1.671 -5.763 -1.699) 6.236 9.307 ( 5.181 4.562 0.496) 6.921 9.410 ( 4.414 -5.250 0.255) 6.863 10.071 ( -1.539 10.668 -4.688) 11.754 10.255 ( -1.223 -7.686 -3.602) 8.575 10.673 ( -12.492 9.864 -0.342) 15.921 10.806 ( -8.721 -4.112 1.553) 9.767 10.927 ( 7.240 6.830 1.875) 10.129 11.068 ( -3.879 -5.249 -1.053) 6.611 11.204 ( 2.576 1.219 1.445) 3.195 11.351 ( 1.154 -12.088 1.191) 12.202 12.377 ( -2.417 7.933 -0.525) 8.309 12.381 ( -6.697 4.533 2.894) 8.589 12.592 ( -0.136 -1.349 -2.595) 2.928 12.689 ( 1.202 -8.608 -4.605) 9.836 13.357 ( -2.263 4.497 3.166) 5.947 13.428 ( 1.941 -2.739 5.606) 6.535 13.585 ( -6.781 -1.888 -4.252) 8.223 13.595 ( -6.674 -3.555 -2.290) 7.901 14.747 ( 10.896 5.516 0.377) 12.218 14.871 ( 8.149 -6.898 1.115) 10.734 15.231 ( 7.605 5.915 0.099) 9.635 15.366 ( 7.224 -7.845 0.060) 10.665 16.286 ( 6.789 5.766 1.195) 8.987 16.306 ( 3.771 3.919 3.041) 6.231 17.184 ( 6.044 4.337 -3.819) 8.362 17.299 ( 3.607 -6.748 -1.026) 7.720 17.564 ( 10.790 0.274 3.353) 11.302 17.586 ( 8.722 -2.385 4.829) 10.251 18.973 ( 5.091 14.863 9.972) 18.609 19.266 ( 1.021 -13.777 9.226) 16.613 20.309 ( -1.351 12.917 -8.861) 15.722 20.566 ( 2.284 -12.261 -12.190) 17.440 21.058 ( -6.344 10.047 -9.694) 15.335 21.237 ( -7.374 -7.902 -6.118) 12.420 21.980 ( -0.806 5.384 7.858) 9.559 22.055 ( -3.721 -1.693 2.745) 4.924 22.392 ( -5.320 5.502 2.313) 7.995 22.547 ( -4.862 -8.521 2.238) 10.062 24.514 ( 3.808 0.570 -1.049) 3.990 24.537 ( 3.633 -1.864 -0.012) 4.083 108.595 ( 0.046 0.615 0.442) 0.758 108.608 ( 0.119 -0.686 0.594) 0.915 109.546 ( -0.938 1.027 -0.385) 1.443 109.550 ( -0.841 0.594 -0.454) 1.125 109.758 ( 1.280 2.086 -0.417) 2.483 109.816 ( 1.574 -3.760 -0.887) 4.172 ======================= Grid point 93 (51/148) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 16.200 10.842 -1.528) 19.554 2.250 ( 8.870 -8.262 3.540) 12.628 2.454 ( 17.291 3.152 4.824) 18.226 2.645 ( 8.992 -12.368 5.880) 16.383 3.560 ( -7.711 5.185 -3.630) 9.976 3.671 ( -9.571 -5.462 -1.155) 11.080 4.095 ( 7.966 10.359 -8.828) 15.770 4.213 ( 1.801 1.524 -6.863) 7.257 4.491 ( 12.150 9.036 6.679) 16.549 4.797 ( 7.039 -17.474 6.288) 19.860 5.274 ( -5.839 8.615 -1.827) 10.566 5.392 ( -5.080 -2.948 -1.105) 5.977 5.673 ( -10.032 4.457 0.359) 10.984 5.733 ( -7.972 -0.275 0.244) 7.980 6.163 ( -7.093 -3.060 -2.604) 8.152 6.171 ( -3.052 -2.926 -2.292) 4.809 7.984 ( -0.923 7.510 0.149) 7.568 8.140 ( -0.765 -7.872 -0.440) 7.921 8.474 ( -0.276 7.010 -3.094) 7.668 8.628 ( 2.160 -8.143 -2.001) 8.659 9.379 ( 1.828 3.573 -0.977) 4.131 9.446 ( -0.298 -2.866 -1.322) 3.171 9.996 ( -4.263 11.369 -2.672) 12.433 10.212 ( -1.601 -10.734 -1.930) 11.023 10.406 ( -10.870 9.501 -0.192) 14.439 10.593 ( -9.034 -8.915 -0.852) 12.720 11.023 ( -0.571 3.114 1.592) 3.543 11.085 ( 2.222 -1.740 1.866) 3.383 11.372 ( 11.543 0.368 3.339) 12.022 11.434 ( 7.293 -6.434 3.018) 10.183 12.247 ( -4.182 7.317 1.876) 8.634 12.341 ( -1.822 -1.162 1.204) 2.474 12.636 ( 3.967 0.758 -3.710) 5.484 12.718 ( 1.610 -6.634 -4.519) 8.186 13.194 ( -10.075 5.068 2.853) 11.633 13.322 ( -9.445 -7.901 3.101) 12.699 13.524 ( 1.580 4.471 0.245) 4.748 13.626 ( 3.575 -5.384 -2.684) 6.998 14.938 ( 6.869 3.863 -1.484) 8.019 15.016 ( 5.421 -4.019 -0.302) 6.755 15.379 ( 6.069 4.866 -0.707) 7.811 15.491 ( 4.548 -6.637 -0.356) 8.054 16.390 ( 3.946 9.598 1.792) 10.531 16.433 ( 6.512 5.426 0.806) 8.514 17.284 ( 3.680 -0.906 -0.544) 3.829 17.367 ( 2.892 -9.009 2.403) 9.762 17.743 ( 6.414 1.553 2.124) 6.933 17.778 ( 7.066 -1.589 1.913) 7.491 19.060 ( 2.121 11.684 8.435) 14.566 19.260 ( -2.322 -6.991 7.336) 10.396 20.251 ( -2.684 14.298 -7.318) 16.285 20.564 ( -1.436 -15.156 -10.080) 18.259 21.026 ( 2.994 5.516 -9.037) 11.003 21.149 ( 0.075 -7.085 -7.937) 10.639 21.953 ( -2.303 2.590 6.679) 7.525 21.990 ( -2.588 -0.399 3.265) 4.185 22.274 ( -5.587 7.244 2.818) 9.572 22.430 ( -5.930 -7.184 2.605) 9.673 24.565 ( 1.452 1.601 -0.673) 2.264 24.608 ( 2.704 -2.680 0.537) 3.844 108.595 ( -0.068 0.725 0.254) 0.772 108.610 ( 0.050 -0.809 0.318) 0.870 109.527 ( -0.727 1.177 -0.301) 1.416 109.534 ( -0.674 0.461 -0.285) 0.865 109.785 ( 1.189 2.154 -0.371) 2.488 109.845 ( 1.179 -3.844 -0.917) 4.124 ======================= Grid point 94 (52/148) ======================= q-point: ( 0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 10.820 5.337 -1.098) 12.114 2.452 ( 9.587 -6.889 5.494) 13.021 2.799 ( 11.309 0.730 3.880) 11.978 2.871 ( 10.888 -5.155 5.241) 13.137 3.331 ( -11.834 5.580 0.035) 13.084 3.442 ( -10.077 -5.300 2.414) 11.639 4.147 ( -0.364 8.022 -5.539) 9.755 4.239 ( 1.436 2.862 -11.657) 12.088 4.620 ( -1.181 3.999 2.365) 4.794 4.830 ( -2.796 -12.082 -6.754) 14.121 5.248 ( 1.500 5.345 5.076) 7.522 5.345 ( -0.491 -3.860 3.742) 5.398 5.571 ( 0.882 7.143 -1.546) 7.361 5.675 ( 0.838 -1.577 0.746) 1.935 6.063 ( -2.134 -0.061 -3.173) 3.824 6.139 ( -0.076 -6.156 -1.704) 6.388 7.944 ( -2.042 6.218 -0.325) 6.553 8.042 ( -5.493 -3.503 -1.249) 6.634 8.527 ( 4.044 6.588 -1.668) 7.909 8.664 ( 1.587 -7.290 -0.106) 7.462 9.395 ( 0.125 1.695 -2.613) 3.117 9.426 ( -1.052 -1.421 -2.199) 2.822 9.925 ( -2.001 13.062 -1.594) 13.310 10.146 ( -3.645 -4.589 -1.405) 6.026 10.302 ( -0.139 -0.101 0.315) 0.359 10.453 ( -3.880 -10.764 0.082) 11.443 11.003 ( -0.543 3.451 1.498) 3.801 11.095 ( -0.167 -5.177 1.882) 5.511 11.581 ( 5.938 0.695 3.649) 7.004 11.592 ( 5.197 -0.034 5.243) 7.382 12.201 ( -0.727 7.917 1.295) 8.055 12.323 ( -0.075 -4.386 0.717) 4.444 12.714 ( 3.386 0.016 -2.956) 4.495 12.772 ( 4.216 -5.860 -2.698) 7.707 13.016 ( -5.956 5.038 3.596) 8.590 13.149 ( -6.499 -8.193 3.284) 10.961 13.564 ( 2.073 6.005 0.915) 6.418 13.689 ( 2.421 -5.920 -2.132) 6.742 15.020 ( 1.160 3.626 -3.024) 4.862 15.087 ( 1.161 -3.094 -2.135) 3.935 15.474 ( 2.788 3.426 -0.939) 4.516 15.558 ( 1.876 -5.372 -0.413) 5.705 16.460 ( 2.079 12.447 1.328) 12.689 16.535 ( 2.755 5.712 0.283) 6.348 17.339 ( 1.566 -3.140 1.940) 4.009 17.414 ( 0.976 -9.775 4.367) 10.750 17.823 ( 1.003 1.600 -1.078) 2.174 17.859 ( 0.485 -1.580 1.120) 1.996 19.067 ( -2.015 9.019 4.918) 10.469 19.189 ( -4.312 -1.680 3.485) 5.793 20.211 ( -0.511 11.768 -6.095) 13.263 20.516 ( -1.819 -16.718 -9.015) 19.081 21.113 ( 5.043 4.912 -7.171) 10.049 21.219 ( 6.402 -6.332 -5.141) 10.369 21.902 ( -2.920 1.870 2.846) 4.486 21.935 ( -3.355 -1.243 2.659) 4.458 22.190 ( -2.030 8.095 4.495) 9.479 22.332 ( -2.851 -5.661 3.310) 7.151 24.580 ( 0.134 2.925 -0.350) 2.949 24.647 ( 0.995 -3.799 0.960) 4.043 108.593 ( -0.119 0.826 0.065) 0.837 108.611 ( -0.021 -0.941 0.179) 0.958 109.517 ( -0.245 1.098 -0.237) 1.150 109.523 ( -0.282 0.433 -0.229) 0.566 109.803 ( 0.539 2.160 -0.322) 2.249 109.862 ( 0.507 -3.701 -0.867) 3.835 ======================= Grid point 95 (53/148) ======================= q-point: (-0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -0.123 7.418 4.950) 8.919 2.596 ( 0.638 -6.779 10.411) 12.440 2.771 ( -11.696 -1.131 0.936) 11.787 2.828 ( -14.202 -4.865 1.155) 15.057 3.355 ( 12.716 3.924 3.003) 13.643 3.430 ( 9.015 -3.323 3.286) 10.154 4.138 ( -0.278 9.902 -5.653) 11.406 4.232 ( -1.913 5.360 -13.205) 14.379 4.511 ( -7.363 -0.457 -0.201) 7.380 4.698 ( -9.408 -12.740 -9.739) 18.592 5.314 ( 4.636 4.170 5.762) 8.490 5.396 ( 5.455 -3.733 5.691) 8.723 5.628 ( 3.301 5.296 -1.443) 6.405 5.668 ( -1.754 2.938 0.338) 3.438 6.072 ( 3.335 -0.717 -2.812) 4.421 6.154 ( 1.484 -7.386 -0.517) 7.551 7.922 ( 0.605 6.875 -1.295) 7.022 8.031 ( 4.792 -3.993 -1.552) 6.428 8.575 ( -0.177 6.018 0.201) 6.024 8.695 ( 0.879 -6.198 1.180) 6.370 9.387 ( -0.711 1.504 -2.727) 3.194 9.408 ( -0.225 -0.724 -2.535) 2.646 9.912 ( 1.203 12.297 -2.248) 12.558 10.138 ( 2.770 -6.278 -1.790) 7.091 10.292 ( -0.227 1.767 0.183) 1.791 10.460 ( 4.070 -10.776 0.058) 11.519 11.015 ( 1.429 3.785 1.758) 4.411 11.104 ( 0.644 -4.493 1.988) 4.955 11.576 ( -6.544 1.583 3.006) 7.373 11.613 ( -3.731 -1.711 5.621) 6.960 12.210 ( 1.563 7.325 1.602) 7.660 12.332 ( 1.161 -4.443 1.589) 4.860 12.804 ( 5.080 -1.884 -0.844) 5.484 12.838 ( 0.807 -5.700 -0.548) 5.783 12.986 ( 3.079 5.303 3.542) 7.082 13.096 ( 2.181 -5.556 2.477) 6.463 13.617 ( 2.950 4.946 3.234) 6.605 13.724 ( 1.258 -4.916 -0.696) 5.122 14.992 ( -3.301 2.805 -4.210) 6.041 15.053 ( -4.242 -3.357 -3.537) 6.463 15.486 ( -1.695 3.532 -0.505) 3.950 15.566 ( -1.192 -4.988 -0.163) 5.131 16.461 ( -2.369 12.257 1.166) 12.538 16.537 ( -2.652 5.849 0.080) 6.423 17.355 ( -0.325 -3.896 2.813) 4.816 17.410 ( -1.495 -7.674 4.893) 9.223 17.783 ( -4.806 0.141 -2.715) 5.522 17.802 ( -5.504 -1.326 -1.627) 5.891 18.997 ( -4.468 8.420 1.935) 9.726 19.107 ( -3.258 -1.372 0.035) 3.536 20.208 ( 0.288 9.889 -6.249) 11.702 20.481 ( -1.011 -16.086 -9.706) 18.814 21.215 ( 5.234 8.498 -3.306) 10.514 21.379 ( 8.594 -8.331 -0.409) 11.976 21.825 ( -4.424 1.978 1.470) 5.065 21.867 ( -2.518 -2.059 0.740) 3.335 22.204 ( 2.635 7.682 4.514) 9.292 22.332 ( 2.465 -4.904 3.132) 6.320 24.573 ( -0.824 3.469 -0.644) 3.623 24.651 ( -0.782 -4.347 1.047) 4.539 108.591 ( -0.074 0.904 -0.024) 0.907 108.610 ( 0.023 -1.076 0.187) 1.092 109.517 ( 0.280 1.067 -0.228) 1.126 109.523 ( 0.290 0.430 -0.234) 0.569 109.805 ( -0.383 2.166 -0.269) 2.216 109.863 ( -0.379 -3.628 -0.841) 3.743 ======================= Grid point 96 (54/148) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -11.606 10.391 5.498) 16.519 2.376 ( -13.979 9.658 11.996) 20.799 2.503 ( -12.128 -8.969 4.376) 15.706 2.663 ( -3.887 -15.815 6.896) 17.685 3.622 ( 11.067 2.146 0.232) 11.275 3.667 ( 10.762 -2.055 0.426) 10.964 3.969 ( -16.827 17.994 -11.897) 27.358 4.188 ( -0.744 6.396 -4.343) 7.767 4.359 ( -11.277 -11.837 -9.035) 18.680 4.432 ( -10.088 -10.202 -1.884) 14.471 5.447 ( 6.940 6.214 4.285) 10.254 5.544 ( 6.552 -2.722 4.799) 8.565 5.687 ( 7.325 6.953 -0.257) 10.103 5.758 ( 9.703 -0.119 -0.097) 9.704 6.190 ( 7.412 -3.500 -2.011) 8.440 6.211 ( 4.547 -4.857 0.428) 6.667 7.963 ( 2.576 9.802 -0.628) 10.154 8.159 ( 5.137 -9.494 0.149) 10.796 8.530 ( -3.233 6.910 -0.762) 7.667 8.668 ( -4.108 -6.740 -0.390) 7.903 9.359 ( -1.833 3.289 -0.950) 3.883 9.411 ( 0.111 -1.656 -2.399) 2.917 9.986 ( 5.739 9.730 -3.133) 11.723 10.188 ( 1.942 -10.976 -2.484) 11.420 10.395 ( 10.323 9.568 -0.637) 14.089 10.580 ( 6.801 -8.405 -1.094) 10.867 11.050 ( 1.022 3.622 1.903) 4.217 11.090 ( -2.828 0.549 1.530) 3.262 11.378 ( -10.127 1.081 2.099) 10.398 11.482 ( -7.147 -9.129 3.933) 12.243 12.271 ( 3.939 6.674 2.156) 8.044 12.391 ( 3.972 -2.848 4.274) 6.493 12.806 ( -2.493 -0.251 2.138) 3.294 12.897 ( 3.171 -7.541 2.750) 8.631 13.125 ( 8.195 4.460 0.990) 9.382 13.199 ( 5.485 -2.520 -0.479) 6.055 13.699 ( 4.307 2.725 6.830) 8.522 13.763 ( 3.436 -3.123 3.670) 5.919 14.879 ( -7.606 0.610 -4.384) 8.800 14.914 ( -7.790 -3.434 -4.180) 9.485 15.402 ( -6.097 4.849 0.118) 7.791 15.504 ( -4.728 -5.847 0.075) 7.520 16.360 ( -6.963 10.222 0.325) 12.373 16.431 ( -7.130 4.365 0.076) 8.360 17.320 ( -3.364 -0.463 0.542) 3.438 17.378 ( -1.482 -5.271 4.074) 6.825 17.608 ( -10.831 1.637 -1.923) 11.121 17.660 ( -7.630 -4.841 -4.333) 10.021 18.895 ( -5.185 10.340 1.195) 11.629 19.060 ( -1.161 -5.173 -1.067) 5.408 20.203 ( -0.135 8.857 -8.363) 12.183 20.445 ( -1.639 -14.519 -11.845) 18.809 21.342 ( 7.329 12.872 0.975) 14.844 21.570 ( 9.225 -9.818 4.877) 14.328 21.744 ( -2.999 4.252 1.545) 5.427 21.841 ( 0.198 -5.660 -0.906) 5.735 22.284 ( 4.172 7.837 2.912) 9.343 22.417 ( 4.760 -5.284 1.836) 7.346 24.542 ( -2.121 3.146 -1.484) 4.074 24.616 ( -2.555 -4.294 0.725) 5.049 108.590 ( 0.002 0.979 0.054) 0.981 108.612 ( 0.118 -1.258 0.413) 1.329 109.528 ( 0.768 1.085 -0.274) 1.357 109.534 ( 0.757 0.435 -0.276) 0.916 109.788 ( -1.153 2.131 -0.264) 2.437 109.845 ( -1.270 -3.554 -0.930) 3.887 ======================= Grid point 97 (55/148) ======================= q-point: (-0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -16.712 12.908 10.812) 23.724 2.197 ( -7.629 21.015 10.530) 24.713 2.289 ( -9.266 -16.910 7.619) 20.733 2.603 ( -2.010 -19.474 6.629) 20.669 3.506 ( -21.189 25.064 -4.969) 33.195 3.786 ( 1.548 2.037 -2.837) 3.821 3.854 ( 4.711 -3.458 -4.100) 7.139 3.967 ( -15.196 -20.112 -6.516) 26.035 4.189 ( -0.783 7.549 -1.590) 7.754 4.348 ( -1.465 -7.254 -3.224) 8.072 5.602 ( 7.916 6.626 1.151) 10.387 5.694 ( 7.914 -1.590 1.621) 8.233 5.923 ( 12.966 8.882 -0.121) 15.717 6.036 ( 15.015 -2.321 0.890) 15.219 6.316 ( 6.158 -0.463 0.982) 6.253 6.387 ( 9.642 -7.031 0.760) 11.957 8.005 ( 1.083 9.071 0.824) 9.172 8.170 ( -4.707 -5.816 1.125) 7.566 8.485 ( -2.017 -1.188 -1.708) 2.898 8.542 ( -4.355 -5.565 -3.069) 7.704 9.300 ( -3.999 3.543 0.760) 5.396 9.376 ( -3.804 -3.645 -1.002) 5.363 10.083 ( 1.832 8.963 -3.762) 9.892 10.235 ( 1.192 -6.286 -3.775) 7.429 10.641 ( 10.936 6.453 -0.912) 12.731 10.735 ( 8.231 -3.382 -0.685) 8.925 10.964 ( -4.867 9.753 0.934) 10.940 11.109 ( 4.301 -1.384 0.285) 4.527 11.249 ( -1.264 -1.954 1.448) 2.741 11.381 ( -2.835 -12.476 1.684) 12.904 12.366 ( 4.590 6.469 1.461) 8.065 12.470 ( 2.120 0.020 4.307) 4.801 12.765 ( -1.154 2.680 3.188) 4.322 12.940 ( 0.288 -11.580 6.207) 13.142 13.247 ( 1.824 3.005 -1.038) 3.666 13.284 ( 2.787 -0.882 -0.409) 2.952 13.816 ( 7.074 3.900 6.792) 10.554 13.903 ( 8.645 -4.909 10.055) 14.140 14.661 ( -11.638 2.170 -3.250) 12.277 14.746 ( -8.602 -6.490 -4.120) 11.537 15.246 ( -8.110 5.777 0.702) 9.983 15.372 ( -7.558 -7.217 0.350) 10.457 16.195 ( -7.871 7.929 -1.528) 11.276 16.264 ( -7.918 1.723 -0.263) 8.107 17.218 ( -6.298 6.464 -5.251) 10.441 17.328 ( -7.077 -3.256 -3.487) 8.535 17.380 ( -6.646 2.711 3.849) 8.144 17.502 ( -6.130 -8.810 0.374) 10.739 18.790 ( -4.571 14.013 1.989) 14.873 19.052 ( 0.311 -11.357 0.226) 11.364 20.199 ( 0.718 7.898 -10.868) 13.454 20.403 ( -0.953 -12.112 -13.838) 18.415 21.525 ( 9.484 15.506 3.220) 18.459 21.683 ( -1.569 4.335 4.348) 6.337 21.767 ( 5.724 -5.001 8.252) 11.219 21.884 ( 5.071 -12.268 -5.362) 14.317 22.368 ( 3.471 8.588 1.695) 9.417 22.514 ( 4.083 -5.964 0.751) 7.266 24.477 ( -4.014 2.835 -2.125) 5.353 24.548 ( -3.764 -4.270 0.125) 5.693 108.590 ( 0.015 1.039 0.287) 1.078 108.615 ( 0.075 -1.475 0.847) 1.702 109.546 ( 0.880 0.991 -0.362) 1.374 109.553 ( 1.134 0.378 -0.345) 1.244 109.760 ( -1.336 1.942 -0.358) 2.384 109.811 ( -1.861 -3.088 -1.108) 3.772 ======================= Grid point 98 (56/148) ======================= q-point: (-0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -13.070 20.223 13.776) 27.742 2.052 ( -7.370 23.518 7.165) 25.666 2.121 ( -7.147 -19.341 9.788) 22.825 2.557 ( -3.879 -19.996 4.198) 20.797 3.161 ( -9.286 27.081 1.374) 28.661 3.631 ( -5.375 -10.626 -5.666) 13.188 3.859 ( -2.797 -6.808 -2.204) 7.683 3.879 ( -0.955 -3.928 -1.952) 4.489 4.185 ( -0.097 6.179 -2.349) 6.611 4.359 ( 2.527 -8.177 -3.033) 9.080 5.767 ( 6.863 5.722 -1.929) 9.142 5.847 ( 5.412 -1.701 -1.493) 5.867 6.184 ( 10.933 11.406 0.367) 15.804 6.309 ( 9.290 -1.332 1.182) 9.459 6.443 ( 5.034 2.323 2.243) 5.981 6.564 ( 6.251 -8.375 1.617) 10.575 7.986 ( -3.473 1.258 -0.086) 3.695 8.024 ( -7.128 -2.740 -1.386) 7.761 8.391 ( -1.860 6.247 -2.082) 6.842 8.594 ( 5.286 -13.097 -0.552) 14.134 9.195 ( -5.499 1.260 1.760) 5.910 9.252 ( -7.277 -4.115 0.595) 8.381 10.049 ( -3.293 7.902 -3.688) 9.321 10.181 ( -4.476 -5.233 -2.889) 7.467 10.772 ( 2.005 8.251 -0.270) 8.496 10.906 ( 6.201 -2.760 -0.100) 6.788 10.987 ( 5.975 12.270 -1.566) 13.737 11.220 ( 4.286 1.010 0.254) 4.410 11.299 ( 0.999 -9.418 -1.655) 9.614 11.395 ( 8.004 -8.136 0.635) 11.431 12.439 ( 0.053 4.803 -0.666) 4.849 12.458 ( -1.640 3.961 0.050) 4.287 12.766 ( 0.523 2.865 4.464) 5.330 12.915 ( -3.027 -9.777 10.399) 14.591 13.230 ( -2.317 1.598 0.865) 2.945 13.291 ( -1.798 -3.637 0.885) 4.153 13.990 ( 7.639 5.215 4.236) 10.173 14.109 ( 9.514 -6.957 7.475) 13.957 14.432 ( -8.758 3.007 -0.923) 9.306 14.516 ( -13.271 -5.114 -4.666) 14.968 15.105 ( -4.776 3.352 2.076) 6.193 15.213 ( -6.666 -7.501 1.267) 10.115 16.070 ( -2.971 6.381 -2.449) 7.452 16.136 ( -3.399 -0.152 -0.057) 3.403 17.056 ( -7.471 8.099 -5.603) 12.361 17.133 ( -6.950 1.727 -4.823) 8.634 17.323 ( -1.879 1.169 3.822) 4.416 17.431 ( -1.359 -8.265 3.663) 9.142 18.726 ( -1.381 17.229 3.893) 17.718 19.075 ( 1.874 -17.180 2.763) 17.501 20.221 ( 2.274 7.295 -12.287) 14.469 20.395 ( 1.364 -9.837 -14.683) 17.726 21.625 ( -3.186 9.065 -1.497) 9.724 21.715 ( 4.955 6.659 9.959) 12.965 21.829 ( 1.509 -0.397 0.343) 1.598 22.043 ( 7.997 -13.264 -1.671) 15.578 22.432 ( 2.687 8.853 2.139) 9.496 22.581 ( 2.211 -6.182 0.482) 6.583 24.381 ( -4.233 4.056 -1.409) 6.029 24.472 ( -3.039 -4.925 -0.536) 5.812 108.591 ( -0.032 0.996 0.541) 1.134 108.615 ( -0.203 -1.513 1.277) 1.991 109.561 ( 0.521 1.115 -0.403) 1.295 109.578 ( 1.048 -0.412 -0.546) 1.251 109.737 ( -0.662 1.530 -0.580) 1.765 109.771 ( -1.600 -1.852 -1.075) 2.673 ======================= Grid point 126 (57/148) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 2.281 0.000 17.871) 18.016 1.079 ( -12.562 0.000 24.882) 27.873 2.083 ( 9.825 0.000 45.477) 46.526 3.072 ( 3.539 0.000 -8.205) 8.936 3.262 ( -13.348 0.000 10.293) 16.856 3.440 ( 1.758 0.000 3.768) 4.158 3.469 ( -4.557 0.000 -13.255) 14.016 3.971 ( -1.814 0.000 -10.322) 10.481 4.571 ( 2.476 0.000 -6.485) 6.941 4.722 ( -0.291 0.000 0.451) 0.537 5.394 ( 0.786 0.000 0.796) 1.119 5.629 ( 1.717 0.000 3.672) 4.053 5.753 ( 2.326 0.000 -12.052) 12.274 6.374 ( -2.381 0.000 -1.320) 2.722 6.396 ( -2.932 0.000 3.878) 4.862 6.874 ( -0.446 0.000 -1.867) 1.920 7.929 ( 2.957 0.000 -2.096) 3.625 8.137 ( -0.694 0.000 -5.696) 5.738 8.630 ( 1.371 0.000 -0.894) 1.636 9.244 ( 2.552 0.000 0.675) 2.640 9.400 ( 0.163 0.000 3.859) 3.862 9.423 ( -0.418 0.000 0.545) 0.687 9.639 ( -0.816 0.000 -2.956) 3.066 9.885 ( -3.992 0.000 -1.221) 4.175 10.443 ( 1.511 0.000 1.457) 2.099 10.782 ( -1.648 0.000 3.575) 3.937 10.809 ( 0.224 0.000 0.831) 0.860 11.488 ( 6.419 0.000 2.321) 6.825 11.596 ( 1.822 0.000 -1.843) 2.591 11.781 ( -0.734 0.000 -3.033) 3.121 11.988 ( -5.278 0.000 -0.876) 5.350 12.459 ( -1.655 0.000 -0.735) 1.811 12.464 ( -1.300 0.000 -1.868) 2.276 12.929 ( 0.666 0.000 0.720) 0.980 13.301 ( -0.406 0.000 0.319) 0.516 13.731 ( -19.389 0.000 -1.134) 19.422 13.911 ( -0.638 0.000 2.823) 2.894 14.270 ( -0.191 0.000 0.892) 0.913 14.329 ( -1.226 0.000 1.260) 1.758 14.553 ( -4.146 0.000 1.049) 4.276 15.350 ( 2.343 0.000 7.395) 7.757 15.656 ( -1.343 0.000 -3.090) 3.369 15.753 ( -1.370 0.000 -0.540) 1.473 16.350 ( 11.644 0.000 -1.637) 11.758 16.419 ( -10.896 0.000 2.416) 11.160 16.428 ( 20.902 0.000 0.266) 20.903 17.248 ( -2.824 0.000 -1.246) 3.087 18.212 ( 3.073 0.000 6.051) 6.786 18.522 ( 2.744 0.000 -0.570) 2.803 18.939 ( 1.109 0.000 2.502) 2.737 20.234 ( 1.176 0.000 -3.662) 3.846 20.572 ( -5.756 0.000 -5.685) 8.090 20.712 ( -2.948 0.000 -8.169) 8.685 21.489 ( -8.646 0.000 4.510) 9.752 21.799 ( -0.270 0.000 12.538) 12.541 22.216 ( -0.449 0.000 7.708) 7.721 22.659 ( 0.180 0.000 -3.944) 3.948 22.819 ( 14.033 0.000 -13.674) 19.594 24.240 ( 1.577 0.000 4.016) 4.315 24.575 ( -2.748 0.000 -1.992) 3.393 108.571 ( 0.090 0.000 0.094) 0.130 108.808 ( -3.736 0.000 0.024) 3.737 109.425 ( 0.052 0.000 0.308) 0.312 109.506 ( -0.056 0.000 -0.871) 0.873 109.710 ( -0.280 0.000 0.584) 0.647 109.801 ( 3.452 0.000 -1.067) 3.613 ======================= Grid point 127 (58/148) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 11.920 0.000 23.962) 26.763 1.169 ( 19.309 0.000 13.460) 23.538 2.567 ( 30.820 0.000 41.184) 51.439 3.105 ( -1.497 0.000 5.205) 5.416 3.181 ( 7.140 0.000 -6.444) 9.619 3.371 ( -3.395 0.000 -13.833) 14.244 3.436 ( -2.200 0.000 3.944) 4.517 4.002 ( 3.859 0.000 -10.754) 11.426 4.542 ( -15.392 0.000 0.390) 15.397 4.642 ( 5.146 0.000 -6.155) 8.023 5.394 ( -1.228 0.000 0.918) 1.533 5.603 ( -4.186 0.000 3.330) 5.349 5.716 ( -3.889 0.000 -10.752) 11.433 6.289 ( -8.425 0.000 3.233) 9.024 6.307 ( -3.626 0.000 -1.953) 4.118 6.785 ( -7.438 0.000 -0.957) 7.499 7.964 ( 0.001 0.000 -2.637) 2.637 8.099 ( -1.910 0.000 -5.399) 5.727 8.651 ( 1.661 0.000 -1.373) 2.155 9.124 ( -12.268 0.000 1.229) 12.330 9.378 ( -1.567 0.000 3.066) 3.443 9.472 ( 3.548 0.000 0.470) 3.579 9.591 ( -3.114 0.000 -3.678) 4.819 9.924 ( 5.571 0.000 -1.198) 5.699 10.533 ( 7.029 0.000 2.073) 7.328 10.743 ( -4.994 0.000 1.773) 5.299 10.826 ( 5.190 0.000 3.374) 6.190 11.469 ( -9.891 0.000 -1.192) 9.962 11.625 ( 0.930 0.000 -1.534) 1.794 11.697 ( -7.774 0.000 -1.393) 7.898 11.835 ( -0.745 0.000 7.149) 7.188 12.430 ( 1.609 0.000 -7.135) 7.315 12.445 ( -0.252 0.000 -1.890) 1.907 13.054 ( 2.646 0.000 4.158) 4.929 13.252 ( -4.320 0.000 0.275) 4.329 13.674 ( 8.038 0.000 5.476) 9.726 13.791 ( -8.600 0.000 1.874) 8.802 14.281 ( 1.980 0.000 0.919) 2.182 14.407 ( 6.481 0.000 1.945) 6.767 14.561 ( 5.702 0.000 0.570) 5.730 15.416 ( 2.602 0.000 6.866) 7.343 15.563 ( -6.375 0.000 -2.756) 6.945 15.785 ( 2.871 0.000 1.989) 3.493 16.186 ( -7.687 0.000 -0.415) 7.698 16.701 ( 9.764 0.000 -17.308) 19.872 16.722 ( 18.941 0.000 0.776) 18.957 17.375 ( 11.924 0.000 0.367) 11.930 18.303 ( 4.698 0.000 7.515) 8.862 18.527 ( -1.928 0.000 2.355) 3.043 18.973 ( 1.976 0.000 2.033) 2.835 20.267 ( 2.087 0.000 -2.476) 3.238 20.432 ( -4.429 0.000 -4.955) 6.646 20.628 ( -4.253 0.000 -10.160) 11.014 21.420 ( 0.465 0.000 6.424) 6.440 21.812 ( 0.534 0.000 11.954) 11.966 22.205 ( -1.707 0.000 7.240) 7.438 22.617 ( -3.685 0.000 -3.413) 5.022 22.906 ( -4.163 0.000 -13.773) 14.388 24.373 ( 8.724 0.000 1.605) 8.870 24.565 ( 1.791 0.000 -3.071) 3.555 108.574 ( 0.166 0.000 -0.024) 0.168 108.722 ( -3.431 0.000 2.745) 4.394 109.426 ( 0.057 0.000 0.302) 0.307 109.500 ( -0.433 0.000 -0.857) 0.960 109.716 ( 0.755 0.000 0.492) 0.901 109.889 ( 3.915 0.000 -3.828) 5.475 ======================= Grid point 128 (59/148) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 16.648 0.000 17.990) 24.511 1.666 ( 25.995 0.000 8.214) 27.262 3.087 ( 7.177 0.000 9.821) 12.164 3.278 ( -1.209 0.000 -12.497) 12.555 3.367 ( -2.047 0.000 6.510) 6.824 3.374 ( 7.709 0.000 -5.055) 9.218 3.407 ( 30.819 0.000 22.146) 37.951 4.062 ( 3.286 0.000 -11.925) 12.370 4.155 ( -19.755 0.000 0.580) 19.764 4.792 ( 9.823 0.000 -4.725) 10.901 5.329 ( -4.987 0.000 0.782) 5.048 5.493 ( -5.809 0.000 3.119) 6.593 5.628 ( -3.086 0.000 -8.582) 9.120 6.021 ( -16.794 0.000 1.537) 16.864 6.236 ( -2.395 0.000 -2.691) 3.602 6.597 ( -9.468 0.000 -0.472) 9.480 7.895 ( -6.293 0.000 -2.802) 6.888 8.068 ( -0.451 0.000 -5.522) 5.540 8.722 ( 5.035 0.000 -1.428) 5.233 8.828 ( -15.859 0.000 -0.399) 15.864 9.344 ( -1.822 0.000 0.490) 1.886 9.500 ( -4.696 0.000 -2.934) 5.537 9.524 ( 1.034 0.000 0.380) 1.102 10.026 ( 3.222 0.000 -2.150) 3.873 10.704 ( 2.583 0.000 3.237) 4.142 10.732 ( 11.000 0.000 3.201) 11.457 10.978 ( 8.343 0.000 3.103) 8.901 11.124 ( -18.735 0.000 -2.203) 18.864 11.633 ( 0.092 0.000 -0.964) 0.969 11.639 ( 0.351 0.000 1.647) 1.684 11.901 ( 4.455 0.000 6.529) 7.904 12.430 ( -1.814 0.000 -4.551) 4.899 12.454 ( 1.297 0.000 -1.960) 2.350 13.112 ( 4.798 0.000 2.468) 5.395 13.119 ( -8.315 0.000 0.149) 8.316 13.620 ( -7.027 0.000 0.808) 7.074 13.753 ( -1.747 0.000 6.708) 6.932 14.343 ( 2.115 0.000 3.821) 4.367 14.548 ( 6.146 0.000 2.337) 6.575 14.769 ( 11.757 0.000 -0.621) 11.774 15.425 ( -5.759 0.000 -2.797) 6.403 15.447 ( -0.329 0.000 5.703) 5.713 15.852 ( 3.953 0.000 0.190) 3.958 16.065 ( -4.197 0.000 -0.757) 4.265 16.936 ( 13.757 0.000 -26.279) 29.662 17.120 ( 18.198 0.000 1.005) 18.226 17.623 ( 10.421 0.000 2.655) 10.754 18.409 ( 4.543 0.000 8.680) 9.797 18.496 ( -0.344 0.000 6.519) 6.528 19.013 ( 0.948 0.000 4.745) 4.839 20.317 ( 2.788 0.000 -3.009) 4.102 20.411 ( 2.329 0.000 -5.869) 6.314 20.530 ( -3.544 0.000 -13.492) 13.950 21.471 ( 3.406 0.000 1.795) 3.850 21.842 ( 1.433 0.000 10.777) 10.872 22.142 ( -4.864 0.000 5.954) 7.688 22.506 ( -6.551 0.000 -1.977) 6.843 22.708 ( -11.938 0.000 -8.660) 14.749 24.510 ( 3.170 0.000 1.261) 3.411 24.644 ( 5.956 0.000 -2.642) 6.516 108.577 ( 0.068 0.000 -0.165) 0.178 108.676 ( -1.356 0.000 2.390) 2.748 109.428 ( 0.065 0.000 0.253) 0.262 109.488 ( -0.638 0.000 -0.785) 1.011 109.739 ( 1.301 0.000 0.578) 1.424 109.944 ( 1.736 0.000 -4.033) 4.391 ======================= Grid point 129 (60/148) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 16.369 0.000 8.586) 18.484 2.240 ( 27.570 0.000 4.641) 27.958 3.186 ( 2.042 0.000 2.611) 3.315 3.202 ( -5.449 0.000 -8.774) 10.328 3.305 ( -1.817 0.000 9.118) 9.298 3.516 ( 2.209 0.000 -5.239) 5.685 3.802 ( -10.185 0.000 0.603) 10.203 3.852 ( 3.499 0.000 10.772) 11.326 4.305 ( 22.077 0.000 -2.892) 22.266 5.038 ( 12.412 0.000 -1.113) 12.462 5.216 ( -4.823 0.000 1.145) 4.957 5.378 ( -5.107 0.000 1.963) 5.471 5.579 ( -0.625 0.000 -5.716) 5.750 5.641 ( -17.933 0.000 0.300) 17.935 6.218 ( 0.800 0.000 -4.155) 4.231 6.433 ( -4.885 0.000 0.091) 4.886 7.738 ( -6.971 0.000 -2.387) 7.369 8.065 ( 0.384 0.000 -5.992) 6.004 8.439 ( -20.696 0.000 -1.863) 20.779 8.834 ( 4.922 0.000 -1.154) 5.055 9.302 ( -2.159 0.000 -3.517) 4.126 9.427 ( -1.428 0.000 -1.905) 2.381 9.526 ( -0.453 0.000 0.402) 0.606 10.066 ( 1.096 0.000 -1.250) 1.662 10.685 ( -12.976 0.000 -1.046) 13.018 10.902 ( 5.230 0.000 1.594) 5.468 10.959 ( 9.553 0.000 3.962) 10.342 11.148 ( 6.512 0.000 3.345) 7.320 11.640 ( 1.073 0.000 -0.762) 1.316 11.686 ( 4.697 0.000 3.748) 6.008 11.940 ( -3.787 0.000 9.084) 9.842 12.419 ( 3.584 0.000 -1.719) 3.975 12.491 ( 2.090 0.000 -1.899) 2.823 12.920 ( -9.796 0.000 0.013) 9.796 13.255 ( 7.278 0.000 -4.165) 8.385 13.510 ( -3.574 0.000 0.182) 3.579 13.680 ( -3.707 0.000 8.811) 9.559 14.317 ( -5.613 0.000 5.501) 7.859 14.655 ( 3.690 0.000 2.215) 4.304 14.987 ( 8.638 0.000 -1.931) 8.852 15.338 ( -2.084 0.000 -3.292) 3.896 15.440 ( 0.189 0.000 2.668) 2.675 15.949 ( 4.655 0.000 -1.448) 4.875 15.997 ( -2.295 0.000 -0.988) 2.499 17.159 ( 7.926 0.000 -25.639) 26.836 17.466 ( 14.361 0.000 1.044) 14.399 17.804 ( 6.659 0.000 4.739) 8.173 18.492 ( 2.230 0.000 9.862) 10.111 18.533 ( 2.817 0.000 7.036) 7.578 18.990 ( -4.093 0.000 8.194) 9.159 20.344 ( -0.842 0.000 -3.530) 3.629 20.489 ( 4.763 0.000 -5.697) 7.426 20.516 ( 4.583 0.000 -17.492) 18.083 21.549 ( 3.827 0.000 -4.011) 5.544 21.892 ( 2.751 0.000 9.045) 9.455 22.028 ( -5.663 0.000 5.954) 8.217 22.349 ( -8.116 0.000 0.364) 8.124 22.445 ( -11.666 0.000 -4.711) 12.582 24.529 ( -0.724 0.000 0.762) 1.051 24.775 ( 5.799 0.000 0.726) 5.845 108.574 ( -0.285 0.000 -0.112) 0.306 108.661 ( -0.355 0.000 1.324) 1.371 109.429 ( 0.066 0.000 0.187) 0.198 109.474 ( -0.559 0.000 -0.688) 0.886 109.767 ( 1.173 0.000 0.711) 1.372 109.965 ( 0.744 0.000 -3.450) 3.529 ======================= Grid point 130 (61/148) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 11.784 0.000 0.158) 11.785 2.800 ( 23.807 0.000 1.616) 23.862 2.999 ( -12.921 0.000 -2.327) 13.129 3.171 ( -3.713 0.000 4.037) 5.485 3.321 ( 3.065 0.000 9.683) 10.156 3.391 ( -7.783 0.000 -4.780) 9.133 3.795 ( 3.326 0.000 -2.781) 4.335 3.832 ( -3.365 0.000 6.683) 7.482 4.694 ( 13.030 0.000 -2.721) 13.311 5.152 ( -1.804 0.000 1.517) 2.356 5.169 ( -2.330 0.000 -0.167) 2.336 5.318 ( 1.010 0.000 -0.007) 1.010 5.329 ( -10.664 0.000 0.777) 10.692 5.623 ( 4.110 0.000 -2.419) 4.769 6.236 ( 1.264 0.000 -4.382) 4.560 6.428 ( 3.525 0.000 1.258) 3.743 7.649 ( -1.533 0.000 -1.114) 1.895 8.039 ( -13.441 0.000 -3.460) 13.879 8.072 ( 0.750 0.000 -6.330) 6.374 8.902 ( 1.355 0.000 -0.926) 1.641 9.255 ( -2.079 0.000 -4.785) 5.217 9.427 ( 1.033 0.000 -1.768) 2.048 9.520 ( 0.111 0.000 0.409) 0.424 10.064 ( -1.168 0.000 0.168) 1.180 10.461 ( -5.094 0.000 -2.441) 5.649 11.023 ( 3.259 0.000 0.523) 3.301 11.123 ( 5.687 0.000 4.023) 6.966 11.212 ( -1.099 0.000 3.922) 4.073 11.676 ( 1.274 0.000 -0.699) 1.453 11.764 ( -9.602 0.000 4.983) 10.818 11.877 ( 10.672 0.000 11.818) 15.924 12.524 ( 1.019 0.000 -1.724) 2.003 12.571 ( 9.123 0.000 -0.785) 9.157 12.761 ( -3.978 0.000 -0.215) 3.983 13.319 ( -1.081 0.000 -7.277) 7.357 13.465 ( -0.794 0.000 -0.083) 0.799 13.710 ( 6.309 0.000 11.620) 13.222 14.129 ( -11.440 0.000 3.573) 11.985 14.708 ( 1.394 0.000 1.998) 2.436 15.117 ( 3.794 0.000 -3.777) 5.353 15.328 ( 1.032 0.000 -3.894) 4.028 15.461 ( 1.068 0.000 0.721) 1.289 15.965 ( -0.761 0.000 -1.051) 1.297 16.014 ( 1.087 0.000 -1.030) 1.497 17.205 ( -1.494 0.000 -22.402) 22.451 17.712 ( 8.455 0.000 0.750) 8.489 17.913 ( 3.168 0.000 4.969) 5.893 18.502 ( -2.429 0.000 11.520) 11.773 18.593 ( 1.748 0.000 5.547) 5.816 18.862 ( -7.760 0.000 8.275) 11.344 20.314 ( -0.871 0.000 -4.766) 4.845 20.566 ( 2.256 0.000 -5.443) 5.892 20.646 ( 7.651 0.000 -17.765) 19.342 21.618 ( 3.391 0.000 -7.955) 8.648 21.945 ( -2.487 0.000 6.981) 7.411 21.978 ( 4.963 0.000 6.549) 8.217 22.176 ( -8.202 0.000 3.576) 8.948 22.246 ( -6.327 0.000 -2.271) 6.722 24.499 ( -1.940 0.000 1.292) 2.331 24.872 ( 3.131 0.000 2.011) 3.721 108.567 ( -0.343 0.000 -0.123) 0.365 108.661 ( 0.193 0.000 0.764) 0.788 109.430 ( -0.041 0.000 0.118) 0.124 109.466 ( -0.122 0.000 -0.597) 0.609 109.785 ( 0.488 0.000 0.794) 0.932 109.972 ( 0.174 0.000 -3.101) 3.106 ======================= Grid point 131 (62/148) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 2.867 0.000 0.337) 2.887 2.587 ( -22.718 0.000 0.905) 22.736 3.055 ( -6.089 0.000 5.579) 8.258 3.252 ( 5.106 0.000 -7.105) 8.750 3.322 ( 11.919 0.000 0.697) 11.940 3.460 ( 8.600 0.000 5.490) 10.203 3.731 ( -7.575 0.000 8.204) 11.166 3.817 ( -0.642 0.000 -2.701) 2.776 4.844 ( 1.643 0.000 -2.745) 3.199 4.974 ( -15.016 0.000 -0.444) 15.023 5.129 ( -0.217 0.000 0.290) 0.362 5.217 ( 0.034 0.000 1.562) 1.562 5.465 ( 12.448 0.000 0.350) 12.453 5.650 ( -1.510 0.000 -1.940) 2.458 6.294 ( 4.947 0.000 -3.198) 5.891 6.491 ( 0.856 0.000 0.856) 1.211 7.592 ( -2.622 0.000 -2.202) 3.424 8.048 ( 13.502 0.000 -2.569) 13.744 8.085 ( 0.900 0.000 -6.374) 6.437 8.883 ( -3.018 0.000 -0.810) 3.125 9.190 ( -3.637 0.000 -4.176) 5.537 9.459 ( 1.983 0.000 -1.684) 2.602 9.534 ( 1.119 0.000 0.378) 1.181 10.055 ( 0.950 0.000 0.001) 0.950 10.489 ( 7.683 0.000 -2.908) 8.215 11.015 ( -4.028 0.000 1.031) 4.158 11.120 ( -7.441 0.000 3.674) 8.299 11.204 ( 1.326 0.000 4.285) 4.485 11.568 ( -7.621 0.000 5.628) 9.474 11.639 ( -4.542 0.000 -0.770) 4.607 12.123 ( 8.585 0.000 10.105) 13.259 12.548 ( 1.375 0.000 -1.752) 2.227 12.753 ( 8.328 0.000 -0.328) 8.334 12.772 ( 4.797 0.000 -0.191) 4.801 13.280 ( -1.740 0.000 -8.778) 8.949 13.474 ( 1.593 0.000 -0.070) 1.594 13.812 ( -3.845 0.000 12.043) 12.642 13.998 ( 6.402 0.000 5.961) 8.747 14.725 ( 0.118 0.000 1.957) 1.960 15.137 ( -1.529 0.000 -4.692) 4.935 15.359 ( 2.028 0.000 -4.178) 4.645 15.451 ( -2.745 0.000 0.239) 2.755 15.963 ( 0.578 0.000 -0.964) 1.124 15.985 ( -3.681 0.000 -1.391) 3.935 17.073 ( -9.182 0.000 -20.553) 22.510 17.783 ( -2.962 0.000 1.253) 3.216 17.936 ( -1.411 0.000 4.519) 4.734 18.411 ( -6.344 0.000 10.760) 12.491 18.598 ( -1.772 0.000 3.942) 4.322 18.741 ( -3.099 0.000 7.225) 7.861 20.303 ( -0.102 0.000 -4.936) 4.937 20.565 ( -1.495 0.000 -5.762) 5.953 20.766 ( 4.552 0.000 -16.348) 16.970 21.700 ( 5.497 0.000 -5.900) 8.064 21.920 ( -0.922 0.000 5.810) 5.883 22.018 ( -6.739 0.000 6.848) 9.608 22.119 ( 7.712 0.000 3.576) 8.500 22.191 ( 0.994 0.000 -2.498) 2.688 24.457 ( -2.133 0.000 1.150) 2.424 24.907 ( 0.013 0.000 2.151) 2.151 108.562 ( -0.147 0.000 -0.180) 0.232 108.672 ( 0.885 0.000 0.792) 1.187 109.428 ( -0.160 0.000 0.076) 0.177 109.469 ( 0.416 0.000 -0.555) 0.693 109.787 ( -0.407 0.000 0.862) 0.953 109.966 ( -0.608 0.000 -3.173) 3.231 ======================= Grid point 132 (63/148) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -26.410 0.000 4.041) 26.718 2.223 ( -10.549 0.000 11.787) 15.818 3.002 ( 0.651 0.000 -0.050) 0.653 3.219 ( -2.963 0.000 -11.156) 11.543 3.423 ( -18.643 0.000 7.957) 20.270 3.596 ( 6.446 0.000 -1.904) 6.722 3.696 ( 8.197 0.000 4.807) 9.503 3.872 ( 9.676 0.000 0.462) 9.687 4.585 ( -19.280 0.000 1.784) 19.363 4.792 ( -6.086 0.000 -2.176) 6.463 5.155 ( 3.029 0.000 0.178) 3.034 5.300 ( 6.176 0.000 2.294) 6.588 5.606 ( -1.547 0.000 -4.670) 4.920 5.800 ( 18.268 0.000 0.719) 18.282 6.419 ( 4.417 0.000 -3.690) 5.755 6.491 ( 2.522 0.000 1.070) 2.739 7.607 ( 3.899 0.000 -4.100) 5.658 8.097 ( 0.711 0.000 -6.111) 6.152 8.438 ( 20.833 0.000 -1.043) 20.859 8.786 ( -5.808 0.000 -0.870) 5.873 9.133 ( -0.326 0.000 -2.820) 2.839 9.499 ( 2.004 0.000 -0.866) 2.183 9.559 ( 0.904 0.000 0.340) 0.965 10.083 ( 1.239 0.000 -1.531) 1.970 10.761 ( 17.294 0.000 -2.893) 17.534 10.872 ( -8.739 0.000 3.084) 9.267 10.912 ( -12.214 0.000 3.498) 12.705 11.176 ( -4.415 0.000 3.987) 5.949 11.476 ( -1.828 0.000 2.984) 3.500 11.548 ( -2.724 0.000 -1.067) 2.926 12.182 ( -2.907 0.000 6.581) 7.194 12.556 ( -0.510 0.000 -1.926) 1.992 12.937 ( 9.755 0.000 0.027) 9.755 12.950 ( 10.104 0.000 2.122) 10.324 13.131 ( -12.709 0.000 -9.305) 15.751 13.532 ( 4.024 0.000 0.192) 4.028 13.804 ( 4.803 0.000 1.784) 5.124 14.293 ( 18.733 0.000 21.695) 28.664 14.708 ( -2.268 0.000 2.138) 3.117 15.045 ( -6.974 0.000 -4.486) 8.292 15.347 ( -6.549 0.000 0.092) 6.550 15.407 ( 3.068 0.000 -3.992) 5.034 15.859 ( -8.155 0.000 -4.010) 9.088 15.986 ( 1.687 0.000 -0.746) 1.844 16.787 ( -16.439 0.000 -20.285) 26.110 17.575 ( -15.909 0.000 3.000) 16.190 17.861 ( -6.051 0.000 3.978) 7.242 18.293 ( -5.215 0.000 5.920) 7.889 18.532 ( -4.262 0.000 2.581) 4.983 18.754 ( 3.044 0.000 8.035) 8.592 20.290 ( -0.888 0.000 -6.084) 6.148 20.529 ( -0.657 0.000 -5.298) 5.339 20.808 ( 0.861 0.000 -12.933) 12.962 21.846 ( 7.983 0.000 1.348) 8.096 21.904 ( -4.711 0.000 9.924) 10.985 21.905 ( -0.318 0.000 0.789) 0.850 22.245 ( 3.409 0.000 -4.619) 5.741 22.303 ( 9.225 0.000 0.166) 9.227 24.412 ( -2.253 0.000 0.114) 2.256 24.879 ( -2.707 0.000 1.409) 3.052 108.561 ( 0.073 0.000 -0.181) 0.195 108.702 ( 2.010 0.000 1.182) 2.332 109.425 ( -0.111 0.000 0.110) 0.157 109.481 ( 0.669 0.000 -0.610) 0.905 109.771 ( -1.100 0.000 0.935) 1.444 109.938 ( -1.866 0.000 -3.607) 4.061 ======================= Grid point 133 (64/148) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -25.188 0.000 8.098) 26.457 1.937 ( -16.703 0.000 22.131) 27.727 2.726 ( -31.534 0.000 7.891) 32.507 3.124 ( -4.342 0.000 -11.514) 12.306 3.219 ( 4.546 0.000 6.012) 7.538 3.629 ( -0.993 0.000 -6.443) 6.519 3.802 ( -1.965 0.000 8.885) 9.099 4.192 ( 18.059 0.000 1.492) 18.120 4.246 ( -11.254 0.000 -4.461) 12.106 4.640 ( -6.791 0.000 -4.753) 8.289 5.251 ( 5.529 0.000 0.316) 5.538 5.434 ( 5.840 0.000 3.352) 6.734 5.595 ( 1.289 0.000 -7.560) 7.669 6.173 ( 15.479 0.000 1.597) 15.561 6.423 ( -0.670 0.000 -1.215) 1.387 6.652 ( 9.089 0.000 -1.283) 9.179 7.717 ( 6.277 0.000 -4.147) 7.523 8.106 ( 0.827 0.000 -5.702) 5.762 8.664 ( -4.941 0.000 -1.078) 5.057 8.828 ( 15.111 0.000 -0.982) 15.143 9.203 ( 6.752 0.000 0.771) 6.796 9.546 ( 2.624 0.000 -0.455) 2.663 9.557 ( -1.509 0.000 0.332) 1.545 10.100 ( 0.088 0.000 -2.516) 2.517 10.652 ( -11.556 0.000 2.843) 11.901 10.712 ( -4.999 0.000 3.060) 5.861 11.043 ( -7.888 0.000 3.637) 8.687 11.135 ( 16.293 0.000 -2.213) 16.442 11.480 ( 2.373 0.000 1.479) 2.796 11.530 ( 0.618 0.000 -1.252) 1.396 12.097 ( -3.616 0.000 3.888) 5.310 12.532 ( -1.445 0.000 -1.989) 2.458 12.798 ( -16.681 0.000 -7.058) 18.113 13.121 ( 4.340 0.000 3.659) 5.677 13.136 ( 8.353 0.000 0.124) 8.354 13.646 ( 6.857 0.000 0.767) 6.900 13.940 ( 7.238 0.000 -3.226) 7.925 14.619 ( -6.463 0.000 2.294) 6.858 14.737 ( 12.791 0.000 20.806) 24.423 14.857 ( -8.173 0.000 2.200) 8.464 15.231 ( -0.459 0.000 -0.138) 0.479 15.493 ( 5.488 0.000 -3.582) 6.553 15.649 ( -9.878 0.000 -7.500) 12.403 16.033 ( 3.027 0.000 -0.395) 3.053 16.374 ( -19.984 0.000 -17.796) 26.759 17.184 ( -20.339 0.000 2.654) 20.511 17.689 ( -10.491 0.000 2.395) 10.761 18.206 ( -3.236 0.000 4.248) 5.340 18.454 ( -2.505 0.000 1.849) 3.113 18.842 ( 3.898 0.000 7.299) 8.275 20.257 ( -1.520 0.000 -7.095) 7.256 20.545 ( 2.467 0.000 -3.901) 4.616 20.797 ( -0.735 0.000 -9.299) 9.328 21.835 ( -2.708 0.000 11.669) 11.979 21.850 ( -3.671 0.000 1.601) 4.004 22.079 ( 11.873 0.000 1.408) 11.957 22.297 ( 1.972 0.000 -6.276) 6.579 22.486 ( 7.816 0.000 -2.227) 8.127 24.358 ( -2.988 0.000 -0.887) 3.117 24.798 ( -5.012 0.000 -0.224) 5.017 108.564 ( 0.209 0.000 -0.100) 0.232 108.759 ( 3.258 0.000 1.294) 3.506 109.423 ( -0.026 0.000 0.187) 0.189 109.494 ( 0.625 0.000 -0.718) 0.952 109.746 ( -1.289 0.000 0.958) 1.606 109.879 ( -3.477 0.000 -3.783) 5.138 ======================= Grid point 134 (65/148) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -17.120 0.000 14.053) 22.149 1.535 ( -25.098 0.000 21.944) 33.339 2.130 ( -18.794 0.000 31.532) 36.708 3.053 ( -1.065 0.000 -10.054) 10.110 3.353 ( 5.809 0.000 2.756) 6.430 3.569 ( -3.761 0.000 -10.659) 11.303 3.588 ( -16.346 0.000 16.712) 23.377 4.085 ( -6.111 0.000 -15.227) 16.408 4.551 ( -0.799 0.000 -6.135) 6.187 4.555 ( 14.605 0.000 1.077) 14.644 5.354 ( 3.501 0.000 0.357) 3.519 5.548 ( 4.849 0.000 4.034) 6.308 5.661 ( 5.437 0.000 -9.316) 10.787 6.391 ( 4.505 0.000 2.989) 5.406 6.408 ( -0.924 0.000 -1.100) 1.436 6.814 ( 5.843 0.000 -1.546) 6.044 7.843 ( 5.480 0.000 -3.019) 6.256 8.129 ( 1.524 0.000 -5.648) 5.850 8.606 ( -0.207 0.000 -1.005) 1.026 9.086 ( 10.422 0.000 -0.250) 10.425 9.345 ( 4.945 0.000 3.039) 5.804 9.490 ( -4.480 0.000 0.450) 4.503 9.607 ( 2.942 0.000 -0.919) 3.082 10.035 ( -6.657 0.000 -1.457) 6.814 10.474 ( -5.027 0.000 1.991) 5.407 10.726 ( 5.373 0.000 1.273) 5.521 10.879 ( -7.161 0.000 3.528) 7.982 11.348 ( 5.450 0.000 0.913) 5.526 11.557 ( 1.871 0.000 -1.656) 2.499 11.635 ( 11.404 0.000 -1.463) 11.497 12.067 ( -1.061 0.000 2.630) 2.836 12.494 ( -8.911 0.000 -4.582) 10.021 12.497 ( -1.616 0.000 -1.941) 2.526 13.092 ( -7.455 0.000 2.874) 7.990 13.266 ( 3.874 0.000 0.238) 3.881 13.810 ( 7.844 0.000 1.773) 8.042 14.067 ( 2.000 0.000 -5.186) 5.558 14.454 ( -8.576 0.000 1.997) 8.806 14.486 ( -23.651 0.000 -7.553) 24.828 14.709 ( -10.845 0.000 2.638) 11.161 15.340 ( -1.158 0.000 6.308) 6.413 15.613 ( 5.145 0.000 -3.376) 6.154 15.723 ( 16.516 0.000 8.792) 18.711 16.044 ( -2.912 0.000 -8.075) 8.584 16.130 ( 6.977 0.000 -0.023) 6.977 16.764 ( -19.102 0.000 1.523) 19.162 17.440 ( -12.416 0.000 0.131) 12.417 18.174 ( -0.013 0.000 4.726) 4.726 18.453 ( 2.334 0.000 1.068) 2.567 18.909 ( 1.921 0.000 5.011) 5.367 20.229 ( -0.376 0.000 -6.001) 6.013 20.604 ( 2.295 0.000 -3.779) 4.421 20.766 ( -1.638 0.000 -7.632) 7.806 21.715 ( -9.700 0.000 -2.230) 9.953 21.805 ( -1.259 0.000 12.456) 12.520 22.226 ( -0.206 0.000 4.808) 4.812 22.459 ( 16.710 0.000 -6.075) 17.780 22.614 ( 4.370 0.000 -3.563) 5.638 24.283 ( -3.908 0.000 0.420) 3.930 24.676 ( -6.028 0.000 -1.605) 6.238 108.568 ( 0.199 0.000 0.028) 0.201 108.825 ( 2.122 0.000 -0.214) 2.133 109.424 ( 0.029 0.000 0.264) 0.266 109.504 ( 0.348 0.000 -0.819) 0.889 109.723 ( -0.891 0.000 0.864) 1.241 109.799 ( -2.990 0.000 -1.965) 3.578 ======================= Grid point 135 (66/148) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -8.325 19.390 18.183) 27.855 1.230 ( -2.480 16.393 20.217) 26.146 2.124 ( 7.669 7.818 35.526) 37.176 2.995 ( -0.697 -12.005 1.042) 12.070 3.335 ( -9.481 0.958 -1.005) 9.583 3.374 ( 3.732 1.377 -2.249) 4.569 3.467 ( -3.319 1.500 -0.043) 3.642 3.974 ( -1.252 -0.193 -10.761) 10.836 4.414 ( -2.099 -10.722 -7.039) 12.997 4.758 ( 8.064 -1.022 3.269) 8.761 5.508 ( -5.776 8.824 -4.306) 11.391 5.634 ( 1.468 1.220 -0.729) 2.043 5.820 ( 3.780 7.791 -4.861) 9.931 6.376 ( -1.248 0.787 0.025) 1.475 6.430 ( -3.560 2.395 1.797) 4.651 6.851 ( -0.530 -2.229 -0.685) 2.391 7.942 ( 2.598 1.219 -2.384) 3.731 8.091 ( -1.072 -4.643 -4.762) 6.737 8.491 ( 1.911 -11.292 -1.130) 11.508 9.192 ( -0.566 -6.589 0.236) 6.618 9.326 ( -2.760 -6.412 1.191) 7.082 9.386 ( 4.576 -3.407 3.646) 6.771 9.659 ( -1.459 2.847 -2.986) 4.376 10.008 ( -1.406 9.904 -0.932) 10.047 10.471 ( 1.138 3.221 0.684) 3.484 10.759 ( -2.910 -0.906 2.935) 4.232 10.897 ( 1.202 7.563 0.535) 7.676 11.397 ( 5.247 -8.705 1.818) 10.325 11.585 ( 0.320 -2.120 -0.744) 2.269 11.768 ( 2.494 -3.142 -2.726) 4.850 11.977 ( -10.650 2.439 -0.929) 10.965 12.374 ( 4.405 -0.872 -4.449) 6.321 12.612 ( -3.793 7.513 1.046) 8.481 12.926 ( -0.780 -0.243 0.972) 1.270 13.355 ( 0.637 3.218 0.907) 3.403 13.682 ( -13.510 -5.659 1.779) 14.755 13.926 ( -0.355 1.514 2.419) 2.876 14.097 ( -8.638 -7.910 -1.639) 11.827 14.334 ( -1.198 -1.126 2.296) 2.824 14.765 ( -1.133 11.059 2.949) 11.502 15.321 ( -1.181 -8.022 6.292) 10.263 15.495 ( 3.495 -7.974 -1.111) 8.777 15.731 ( 1.865 -3.305 -3.251) 4.997 16.145 ( 14.183 -1.296 2.372) 14.438 16.487 ( -8.120 6.746 1.518) 10.665 16.756 ( 10.942 14.917 -2.533) 18.673 17.258 ( -2.520 0.971 -0.821) 2.823 18.046 ( 0.678 -15.725 7.156) 17.290 18.434 ( 4.716 2.919 7.926) 9.674 19.255 ( 4.349 17.630 -9.106) 20.314 20.169 ( 1.402 -6.399 -1.339) 6.686 20.491 ( -2.093 -10.196 -7.463) 12.808 20.798 ( -7.924 11.984 -10.772) 17.957 21.613 ( -4.429 9.962 3.789) 11.542 21.807 ( -3.948 0.225 8.852) 9.695 22.200 ( 0.403 -1.114 6.933) 7.033 22.640 ( 0.641 -2.212 -3.471) 4.165 22.783 ( 11.197 -2.955 -8.781) 14.533 24.246 ( 1.860 0.754 3.369) 3.922 24.554 ( -2.348 -2.117 -1.977) 3.729 108.574 ( 0.115 0.320 0.181) 0.385 108.760 ( -2.521 -3.773 1.604) 4.813 109.476 ( -0.463 3.964 -1.504) 4.265 109.514 ( -0.053 0.723 -0.787) 1.070 109.707 ( -0.194 -0.245 0.509) 0.598 109.791 ( 2.770 -0.943 -0.959) 3.079 ======================= Grid point 136 (67/148) ======================= q-point: ( 0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 8.099 10.218 19.928) 23.814 1.413 ( 14.151 15.980 18.463) 28.222 2.549 ( 27.865 2.572 25.923) 38.145 2.982 ( -0.321 -13.777 6.325) 15.163 3.237 ( -0.002 0.876 -10.403) 10.440 3.387 ( -4.067 -5.675 1.900) 7.236 3.474 ( 6.228 14.892 1.537) 16.215 3.991 ( 2.932 -0.962 -10.649) 11.087 4.338 ( -5.284 -10.928 -4.861) 13.076 4.851 ( 1.073 9.403 0.764) 9.495 5.376 ( -5.178 -1.539 -4.044) 6.747 5.603 ( -3.877 1.577 0.804) 4.262 5.790 ( -5.118 6.663 -5.126) 9.842 6.293 ( -9.456 0.215 1.786) 9.625 6.325 ( -4.412 1.753 -1.309) 4.924 6.766 ( -7.219 -1.923 0.014) 7.470 7.957 ( -1.231 -0.815 -2.740) 3.112 8.061 ( -0.727 -3.603 -4.339) 5.687 8.560 ( 4.870 -7.388 -1.920) 9.055 9.045 ( -11.407 -7.738 0.637) 13.799 9.307 ( 0.089 -5.543 2.237) 5.978 9.491 ( 4.274 -0.644 2.535) 5.011 9.619 ( -1.987 4.231 -4.841) 6.729 10.058 ( 4.199 11.209 -1.315) 12.042 10.563 ( 7.757 2.834 1.562) 8.405 10.682 ( -5.080 -2.902 2.397) 6.323 10.890 ( 0.816 3.992 2.177) 4.620 11.401 ( -4.745 -6.645 0.054) 8.166 11.560 ( -12.213 -5.027 -0.710) 13.226 11.712 ( 3.447 -3.544 0.875) 5.021 11.853 ( 0.930 5.963 0.815) 6.090 12.448 ( -5.436 3.260 -3.311) 7.151 12.482 ( 2.495 2.126 -3.431) 4.745 12.996 ( 1.342 -3.965 3.423) 5.407 13.325 ( -4.199 4.886 1.203) 6.553 13.603 ( 3.359 -5.747 3.963) 7.747 13.817 ( -6.586 1.051 2.804) 7.235 14.057 ( 0.778 -13.518 2.645) 13.797 14.382 ( 6.949 0.133 1.166) 7.048 14.806 ( 4.755 12.257 1.749) 13.263 15.281 ( -2.779 -10.919 3.328) 11.748 15.574 ( 3.251 -5.711 0.662) 6.605 15.770 ( 2.834 6.138 -1.727) 6.978 16.286 ( -8.588 4.645 3.891) 10.510 16.522 ( 19.170 -0.513 -8.766) 21.085 16.977 ( 10.231 10.912 -7.035) 16.530 17.377 ( 11.451 0.325 1.225) 11.521 18.079 ( 1.914 -15.871 8.356) 18.038 18.570 ( 6.954 5.756 8.075) 12.111 19.271 ( -2.250 19.901 -8.490) 21.753 20.197 ( 1.159 -7.627 0.455) 7.728 20.425 ( -3.171 -3.771 -9.591) 10.782 20.623 ( -4.988 5.372 -8.436) 11.176 21.543 ( -2.334 8.839 3.676) 9.854 21.788 ( 0.484 -1.056 10.485) 10.550 22.196 ( -1.611 -0.808 6.359) 6.609 22.591 ( -4.325 -2.478 -2.606) 5.625 22.869 ( -2.530 -3.463 -9.693) 10.600 24.372 ( 8.143 -0.034 1.424) 8.267 24.546 ( 1.660 -1.831 -2.681) 3.646 108.577 ( 0.161 0.344 0.044) 0.383 108.703 ( -2.480 -1.720 2.692) 4.045 109.460 ( -0.655 2.961 -0.469) 3.069 109.508 ( -0.386 0.787 -0.788) 1.179 109.714 ( 0.773 -0.164 0.411) 0.891 109.866 ( 3.510 -2.185 -3.048) 5.137 ======================= Grid point 137 (68/148) ======================= q-point: ( 0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 15.796 2.904 15.414) 22.261 1.814 ( 21.948 11.519 12.916) 27.951 2.995 ( 1.341 -13.848 5.690) 15.031 3.147 ( 18.999 -8.517 4.402) 21.281 3.238 ( 0.000 2.035 -4.896) 5.302 3.353 ( 3.662 -2.535 0.638) 4.499 3.689 ( 13.865 14.987 10.598) 23.004 4.035 ( 1.050 -0.924 -10.141) 10.237 4.173 ( -7.786 -0.683 -1.946) 8.054 4.880 ( 3.797 8.838 -2.571) 9.957 5.294 ( -3.127 -4.641 -1.348) 5.756 5.501 ( -5.508 1.249 2.005) 5.993 5.663 ( -5.302 3.700 -5.380) 8.412 6.001 ( -17.224 -1.472 1.111) 17.322 6.238 ( -3.303 0.118 -2.658) 4.242 6.572 ( -10.371 -2.594 0.272) 10.694 7.885 ( -5.106 -0.673 -2.858) 5.890 8.066 ( 1.358 -0.171 -4.520) 4.723 8.680 ( 5.043 -4.004 -1.892) 6.712 8.779 ( -12.846 -4.816 -0.630) 13.734 9.310 ( -0.221 -2.698 0.905) 2.854 9.500 ( -3.278 -0.172 -1.870) 3.777 9.597 ( -0.045 6.695 -1.686) 6.904 10.113 ( 0.861 8.277 -1.931) 8.543 10.605 ( -0.441 -7.157 2.389) 7.558 10.784 ( 11.948 3.789 2.717) 12.825 10.969 ( 3.376 -1.712 2.520) 4.547 11.124 ( -14.096 -0.237 -1.215) 14.150 11.459 ( 0.537 -8.375 1.492) 8.523 11.789 ( 2.215 2.604 2.821) 4.432 11.923 ( 3.879 4.216 2.274) 6.164 12.321 ( -3.947 -3.565 -1.723) 5.590 12.543 ( 1.649 3.247 -3.481) 5.037 12.989 ( -1.382 -6.910 0.635) 7.075 13.226 ( -4.145 5.083 2.813) 7.137 13.594 ( -3.838 -2.726 -1.028) 4.818 13.723 ( -3.715 -2.752 6.237) 7.763 14.074 ( 0.034 -16.743 5.343) 17.575 14.598 ( 10.863 1.710 0.327) 11.002 14.946 ( 7.834 11.049 0.744) 13.564 15.222 ( -2.676 -9.671 0.363) 10.041 15.611 ( 0.689 2.345 1.229) 2.736 15.866 ( 5.850 5.684 -1.339) 8.265 16.125 ( -6.326 5.724 2.086) 8.783 16.910 ( 17.564 0.523 -15.790) 23.624 17.223 ( 13.215 6.284 -5.604) 15.670 17.624 ( 10.674 0.220 3.179) 11.139 18.141 ( 3.321 -15.099 9.304) 18.044 18.710 ( 5.233 10.517 7.823) 14.114 19.182 ( -4.813 15.158 -1.180) 15.947 20.210 ( -0.055 -10.262 -0.525) 10.276 20.394 ( 1.685 -0.133 -10.877) 11.008 20.584 ( 1.116 4.333 -10.430) 11.349 21.513 ( -0.803 0.956 0.942) 1.564 21.822 ( 1.746 0.607 8.790) 8.983 22.135 ( -4.577 -0.636 5.545) 7.218 22.467 ( -7.107 -3.028 -1.125) 7.807 22.722 ( -9.364 0.459 -5.942) 11.100 24.503 ( 3.173 -0.629 0.912) 3.361 24.623 ( 5.853 -2.036 -2.153) 6.560 108.580 ( 0.038 0.294 -0.112) 0.317 108.668 ( -1.109 -0.814 2.143) 2.546 109.450 ( -0.312 2.095 -0.035) 2.119 109.497 ( -0.597 0.878 -0.726) 1.286 109.737 ( 1.298 -0.158 0.494) 1.398 109.918 ( 1.811 -2.426 -3.443) 4.584 ======================= Grid point 138 (69/148) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 16.795 0.927 7.365) 18.362 2.322 ( 24.924 7.147 8.141) 27.176 3.014 ( 0.014 -13.681 2.405) 13.891 3.169 ( -1.902 -7.351 3.151) 8.221 3.316 ( -1.311 3.331 -3.080) 4.723 3.532 ( 7.469 2.907 -5.811) 9.900 3.816 ( -5.695 -0.122 4.239) 7.100 3.933 ( -3.711 6.555 3.160) 8.168 4.355 ( 19.451 4.430 -2.058) 20.055 5.010 ( 6.331 -1.381 -0.859) 6.537 5.229 ( -2.564 -0.136 0.288) 2.584 5.385 ( -5.319 0.512 1.551) 5.564 5.585 ( -1.475 0.869 -3.579) 3.967 5.647 ( -14.306 1.231 0.406) 14.364 6.197 ( -0.656 -2.246 -4.823) 5.361 6.385 ( -5.826 -4.548 0.819) 7.436 7.762 ( -5.432 2.543 -2.269) 6.413 8.104 ( 2.425 3.753 -5.261) 6.903 8.410 ( -19.064 -2.885 -1.756) 19.361 8.819 ( 4.920 -1.852 -1.326) 5.422 9.294 ( -1.218 -0.585 -2.623) 2.950 9.433 ( -1.929 0.391 -2.646) 3.298 9.577 ( -1.406 5.302 -0.233) 5.490 10.108 ( -0.904 4.337 -0.882) 4.517 10.609 ( -5.307 -7.927 0.078) 9.540 10.801 ( -2.330 -4.978 0.274) 5.503 11.047 ( 10.045 4.487 3.238) 11.468 11.132 ( 4.002 -2.086 3.199) 5.532 11.532 ( 6.231 -4.738 2.450) 8.202 11.819 ( 0.994 3.657 5.888) 7.002 11.923 ( -4.958 1.250 3.168) 6.015 12.334 ( 5.351 -3.433 -0.777) 6.405 12.571 ( 2.021 3.736 -1.704) 4.577 12.900 ( -6.925 -2.584 -0.994) 7.458 13.216 ( 2.263 -2.784 -0.038) 3.588 13.518 ( -2.159 -0.213 -1.845) 2.848 13.647 ( -3.305 -2.924 6.480) 7.840 14.038 ( -4.462 -18.108 5.863) 19.550 14.767 ( 4.927 3.751 0.189) 6.195 15.104 ( 6.066 9.613 -0.845) 11.399 15.185 ( -0.010 -6.992 -2.484) 7.420 15.634 ( 1.847 7.797 1.071) 8.084 15.962 ( 1.524 3.004 -0.522) 3.409 16.050 ( 0.176 7.552 0.085) 7.555 17.193 ( 9.847 2.908 -19.389) 21.939 17.478 ( 10.655 0.574 -1.099) 10.727 17.811 ( 6.805 0.490 4.064) 7.941 18.228 ( 3.803 -14.089 10.313) 17.870 18.791 ( 1.884 13.125 6.643) 14.830 19.074 ( -6.154 8.633 5.189) 11.803 20.201 ( -0.407 -10.517 -3.270) 11.021 20.469 ( 5.798 -0.657 -13.182) 14.415 20.632 ( 3.771 6.601 -10.002) 12.563 21.513 ( 1.014 -5.711 -3.145) 6.598 21.867 ( 1.708 0.147 5.907) 6.151 22.033 ( -4.809 0.523 6.083) 7.771 22.306 ( -7.745 -2.236 1.442) 8.189 22.512 ( -9.485 3.984 -2.707) 10.638 24.527 ( -0.365 -0.168 0.551) 0.682 24.750 ( 5.554 -2.465 0.633) 6.109 108.577 ( -0.289 0.264 -0.096) 0.403 108.655 ( -0.323 -0.610 1.180) 1.367 109.446 ( -0.111 1.601 0.046) 1.605 109.484 ( -0.545 0.933 -0.631) 1.251 109.764 ( 1.168 -0.174 0.615) 1.332 109.943 ( 0.881 -2.183 -3.086) 3.882 ======================= Grid point 139 (70/148) ======================= q-point: ( 0.44 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 12.234 1.413 -0.026) 12.315 2.838 ( 21.852 1.948 5.420) 22.598 2.965 ( -6.949 -1.082 0.009) 7.033 3.150 ( 0.309 -10.200 3.615) 10.826 3.214 ( -5.378 1.857 2.331) 6.148 3.526 ( -5.513 7.940 -0.389) 9.674 3.782 ( 2.199 -1.816 -0.151) 2.855 3.872 ( -2.703 4.363 1.786) 5.434 4.684 ( 10.636 -0.649 -4.943) 11.746 4.994 ( -7.269 -10.898 0.371) 13.105 5.209 ( 0.276 2.949 0.854) 3.082 5.330 ( 1.120 1.440 -0.156) 1.831 5.440 ( -6.278 6.790 0.475) 9.260 5.623 ( 3.277 0.293 -0.255) 3.300 6.176 ( -0.210 -5.798 -5.151) 7.759 6.375 ( 3.532 -4.968 1.128) 6.199 7.693 ( -1.193 4.321 -0.915) 4.575 8.025 ( -12.358 -0.399 -3.945) 12.979 8.165 ( 2.103 7.586 -5.011) 9.332 8.884 ( 1.234 -2.103 -0.467) 2.483 9.259 ( -1.759 0.601 -4.598) 4.959 9.419 ( 0.274 -0.771 -2.149) 2.300 9.556 ( -0.210 3.799 0.011) 3.805 10.072 ( -2.160 0.983 0.466) 2.418 10.462 ( -3.653 -0.309 -2.038) 4.195 10.868 ( 3.529 -10.581 0.548) 11.168 11.142 ( -0.259 -3.868 4.360) 5.834 11.227 ( 3.110 2.681 2.955) 5.059 11.660 ( 2.802 -1.845 1.160) 3.550 11.762 ( -6.910 -0.278 8.915) 11.283 11.915 ( 7.237 4.671 4.309) 9.631 12.458 ( 4.193 -3.417 -0.088) 5.409 12.642 ( 5.273 3.595 -1.080) 6.472 12.778 ( -2.580 1.560 -0.540) 3.063 13.223 ( -1.716 -7.084 -1.736) 7.493 13.507 ( -0.130 0.765 -3.269) 3.360 13.666 ( 6.077 -4.491 8.925) 11.694 13.892 ( -9.433 -15.419 3.540) 18.419 14.821 ( 0.840 5.041 -0.067) 5.111 15.153 ( 0.538 -2.584 -3.428) 4.326 15.237 ( 2.682 4.483 -3.594) 6.341 15.686 ( 2.427 9.572 0.896) 9.915 15.951 ( -0.899 3.292 0.466) 3.444 16.082 ( 0.657 7.510 -0.905) 7.593 17.273 ( -0.512 5.962 -19.205) 20.116 17.660 ( 6.529 -4.653 2.047) 8.274 17.913 ( 2.398 -0.652 2.607) 3.601 18.290 ( 0.530 -12.635 11.957) 17.404 18.799 ( -1.524 12.015 4.868) 13.053 18.929 ( -7.460 6.753 6.772) 12.129 20.193 ( 0.003 -9.018 -4.285) 9.985 20.586 ( 5.468 -2.244 -13.789) 15.002 20.702 ( 3.255 6.773 -9.558) 12.158 21.556 ( 3.721 -7.231 -6.089) 10.159 21.893 ( 0.505 -3.803 1.868) 4.267 21.973 ( -1.284 1.991 7.537) 7.900 22.162 ( -5.987 0.090 4.921) 7.750 22.351 ( -4.882 6.326 -0.474) 8.004 24.504 ( -1.631 0.547 1.044) 2.012 24.842 ( 2.911 -3.002 1.773) 4.542 108.570 ( -0.340 0.271 -0.124) 0.453 108.654 ( 0.144 -0.647 0.674) 0.946 109.445 ( -0.053 1.410 0.026) 1.412 109.476 ( -0.154 0.920 -0.545) 1.080 109.783 ( 0.491 -0.181 0.686) 0.863 109.952 ( 0.256 -1.944 -2.827) 3.441 ======================= Grid point 140 (71/148) ======================= q-point: (-0.44 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 2.229 1.467 0.935) 2.828 2.648 ( -19.687 5.199 1.390) 20.409 3.018 ( -5.612 -3.189 4.283) 7.746 3.201 ( -0.027 -6.661 -3.559) 7.552 3.334 ( 16.793 2.693 2.567) 17.200 3.494 ( 5.186 2.837 4.697) 7.550 3.719 ( -8.180 0.025 3.540) 8.913 3.874 ( 1.378 4.765 -1.522) 5.189 4.751 ( -5.380 -8.862 -5.139) 11.571 4.855 ( -3.911 -6.546 0.075) 7.626 5.225 ( 1.666 4.347 -0.368) 4.670 5.319 ( -5.573 9.606 0.723) 11.129 5.464 ( 11.258 0.273 0.228) 11.263 5.636 ( -1.119 -1.228 0.049) 1.662 6.221 ( 5.189 -6.830 -3.864) 9.408 6.442 ( 1.395 -4.773 0.570) 5.005 7.630 ( -3.204 4.082 -1.956) 5.545 8.040 ( 13.025 -0.377 -2.750) 13.317 8.196 ( 0.702 9.496 -5.258) 10.877 8.874 ( -2.066 -1.168 -0.326) 2.396 9.206 ( -2.819 1.689 -4.351) 5.452 9.427 ( 0.544 -2.332 -1.290) 2.720 9.576 ( 2.073 3.619 -0.597) 4.213 10.062 ( 1.556 0.842 0.351) 1.804 10.487 ( 5.925 -0.787 -2.339) 6.418 10.877 ( -3.143 -10.537 0.592) 11.011 11.125 ( -1.475 -4.103 4.375) 6.177 11.191 ( -6.164 1.517 3.445) 7.223 11.590 ( -6.369 0.825 3.035) 7.103 11.690 ( -2.404 5.186 2.954) 6.434 12.122 ( 9.694 -0.479 7.217) 12.095 12.473 ( -2.114 -4.770 -0.972) 5.307 12.785 ( 7.796 2.636 0.999) 8.290 12.823 ( 6.133 3.247 -1.624) 7.127 13.200 ( 0.118 -5.821 -3.290) 6.687 13.507 ( 0.953 -2.056 -0.627) 2.351 13.682 ( -9.303 -9.457 1.574) 13.359 13.878 ( 12.334 -6.656 11.462) 18.105 14.821 ( -0.674 4.732 -0.331) 4.792 15.147 ( -1.133 -4.822 -4.184) 6.484 15.244 ( -1.734 4.341 -3.728) 5.979 15.711 ( -0.405 9.873 0.623) 9.900 15.938 ( -0.528 3.525 0.342) 3.581 16.051 ( -3.482 7.205 -1.470) 8.136 17.160 ( -8.477 7.693 -17.699) 21.079 17.736 ( -0.373 -5.143 2.639) 5.793 17.895 ( -4.428 -3.254 2.236) 5.932 18.250 ( -4.884 -11.536 11.789) 17.202 18.735 ( -5.038 8.924 3.288) 10.763 18.826 ( -1.497 8.218 5.563) 10.036 20.188 ( -0.341 -8.401 -4.732) 9.647 20.641 ( 0.610 -0.046 -10.684) 10.702 20.753 ( 2.465 3.373 -10.998) 11.765 21.666 ( 7.119 -4.152 -5.520) 9.920 21.882 ( -2.917 -3.518 3.120) 5.533 21.988 ( 2.969 -3.925 3.863) 6.256 22.078 ( -2.124 3.827 6.786) 8.076 22.328 ( 2.357 6.943 0.046) 7.332 24.466 ( -2.026 0.972 0.886) 2.415 24.872 ( -0.154 -3.413 1.907) 3.913 108.564 ( -0.151 0.275 -0.171) 0.358 108.663 ( 0.742 -0.833 0.701) 1.318 109.444 ( -0.029 1.513 -0.004) 1.514 109.478 ( 0.375 0.844 -0.517) 1.058 109.785 ( -0.403 -0.180 0.741) 0.863 109.947 ( -0.582 -1.819 -2.888) 3.463 ======================= Grid point 141 (72/148) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -21.294 6.450 7.027) 23.332 2.287 ( -11.946 6.117 8.734) 16.013 2.933 ( -0.969 -6.375 1.904) 6.724 3.153 ( -3.460 -6.268 -9.256) 11.702 3.425 ( -19.076 1.409 4.880) 19.740 3.617 ( 9.368 0.470 -1.734) 9.539 3.688 ( 6.512 0.554 3.565) 7.445 3.936 ( 7.504 5.290 1.865) 9.368 4.561 ( -11.595 -3.793 -0.559) 12.212 4.689 ( -11.352 -7.530 -2.568) 13.862 5.261 ( 2.410 8.785 -0.227) 9.112 5.306 ( 4.620 0.949 0.608) 4.755 5.621 ( 1.420 1.709 -1.391) 2.621 5.787 ( 17.111 -1.302 -0.192) 17.162 6.364 ( 6.250 -5.339 -3.842) 9.073 6.458 ( 2.951 -3.414 1.116) 4.649 7.632 ( 3.199 3.285 -3.338) 5.671 8.170 ( -1.923 6.258 -5.482) 8.539 8.418 ( 19.857 -2.125 -0.995) 19.995 8.787 ( -6.375 -0.224 -1.028) 6.461 9.169 ( 0.554 3.551 -2.838) 4.579 9.437 ( 0.397 -3.769 -0.290) 3.801 9.633 ( 3.147 5.274 -1.157) 6.249 10.111 ( 2.395 3.035 -0.917) 3.973 10.684 ( 8.738 -9.587 -0.978) 13.008 10.778 ( -1.998 -4.774 1.177) 5.308 10.972 ( -11.481 4.375 2.913) 12.627 11.119 ( -2.079 -4.326 3.201) 5.769 11.460 ( -4.984 -0.885 2.052) 5.462 11.657 ( -1.002 7.587 1.863) 7.876 12.243 ( 0.051 5.036 6.128) 7.932 12.415 ( -1.902 -10.621 -2.706) 11.124 12.929 ( 6.437 -0.089 -1.275) 6.563 13.009 ( 8.451 2.192 0.590) 8.751 13.136 ( -6.538 1.693 -4.253) 7.981 13.564 ( 4.240 -4.135 -1.199) 6.043 13.608 ( 3.780 -9.390 2.419) 10.408 14.198 ( 17.000 -8.031 18.736) 26.543 14.778 ( -4.014 3.112 -0.693) 5.126 15.083 ( -5.543 -0.411 -3.497) 6.567 15.179 ( -2.729 -1.906 -2.200) 3.990 15.673 ( -2.776 10.050 0.272) 10.430 15.909 ( -4.866 2.248 -2.661) 5.984 15.952 ( -3.183 6.193 -1.351) 7.092 16.900 ( -14.481 9.621 -16.927) 24.264 17.581 ( -14.522 0.250 2.331) 14.710 17.787 ( -5.347 -6.573 4.483) 9.586 18.148 ( -4.810 -11.809 7.122) 14.605 18.602 ( -7.398 6.381 3.185) 10.276 18.872 ( 4.636 9.180 4.477) 11.217 20.170 ( -0.890 -8.471 -5.379) 10.073 20.620 ( -1.337 0.113 -10.063) 10.152 20.788 ( 1.866 3.655 -8.412) 9.359 21.798 ( -4.339 -3.241 6.257) 8.276 21.841 ( 9.724 -1.665 -2.478) 10.172 22.050 ( 0.281 7.423 7.588) 10.619 22.104 ( 4.968 -7.664 -2.495) 9.468 22.419 ( 5.625 5.623 -0.938) 8.008 24.420 ( -2.396 0.923 -0.078) 2.569 24.841 ( -2.867 -3.736 1.256) 4.874 108.563 ( 0.069 0.274 -0.146) 0.318 108.689 ( 1.637 -1.295 1.084) 2.352 109.445 ( 0.191 1.878 -0.025) 1.887 109.489 ( 0.650 0.790 -0.577) 1.174 109.769 ( -1.106 -0.192 0.800) 1.379 109.920 ( -1.821 -1.731 -3.225) 4.088 ======================= Grid point 142 (73/148) ======================= q-point: (-0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -21.244 13.434 8.298) 26.470 1.997 ( -16.862 6.165 20.620) 27.341 2.767 ( -26.340 4.196 4.885) 27.116 3.061 ( -1.536 -10.245 -3.380) 10.897 3.128 ( 0.281 -3.858 1.538) 4.163 3.651 ( -3.792 3.557 -0.436) 5.217 3.801 ( 2.013 -1.658 -0.739) 2.711 4.164 ( 3.871 -4.185 -3.733) 6.814 4.284 ( -4.328 3.915 4.440) 7.333 4.517 ( -4.508 -10.108 -6.370) 12.770 5.380 ( 8.352 10.731 0.239) 13.600 5.422 ( 5.951 -0.102 0.153) 5.954 5.653 ( 1.559 5.227 -4.184) 6.874 6.149 ( 15.473 -2.295 0.965) 15.672 6.410 ( 1.202 -1.486 -1.417) 2.379 6.628 ( 9.659 -2.600 -0.422) 10.011 7.730 ( 5.888 2.014 -3.346) 7.065 8.121 ( -1.736 1.318 -5.245) 5.680 8.623 ( -7.759 -3.289 -1.348) 8.535 8.803 ( 15.483 -4.094 -0.650) 16.029 9.227 ( 4.210 2.688 0.516) 5.022 9.439 ( -0.394 -4.862 -0.398) 4.894 9.688 ( 1.443 7.306 -1.009) 7.515 10.148 ( 0.790 4.663 -1.993) 5.133 10.649 ( -1.328 -5.506 2.043) 6.021 10.695 ( -11.173 3.836 2.170) 12.011 10.958 ( -0.690 -6.270 2.323) 6.722 11.128 ( 8.953 -1.078 -0.398) 9.026 11.424 ( 2.015 -3.246 0.338) 3.836 11.638 ( -1.085 5.988 0.913) 6.154 12.191 ( -2.988 8.814 3.634) 9.991 12.384 ( -1.828 -10.705 -2.826) 11.221 12.846 ( -12.338 1.958 -6.110) 13.906 13.067 ( 3.884 -1.135 -0.115) 4.048 13.227 ( 6.892 4.802 3.397) 9.061 13.662 ( 5.509 -1.655 -0.559) 5.780 13.778 ( 9.750 -10.593 0.630) 14.411 14.547 ( 5.812 -10.044 10.513) 15.658 14.676 ( 0.596 -3.962 10.487) 11.226 14.887 ( -12.342 3.385 -3.428) 13.249 15.172 ( 2.321 -4.187 1.059) 4.903 15.608 ( -4.915 6.756 -0.994) 8.414 15.737 ( -6.550 2.883 -7.031) 10.032 15.925 ( -1.150 2.555 -0.361) 2.825 16.575 ( -13.013 13.947 -13.345) 23.280 17.217 ( -18.793 2.820 1.903) 19.099 17.645 ( -8.937 -4.102 3.250) 10.356 18.072 ( -2.785 -12.919 5.069) 14.154 18.455 ( -6.113 4.400 4.399) 8.723 18.997 ( 6.472 10.476 2.137) 12.498 20.150 ( -0.418 -7.915 -5.288) 9.528 20.578 ( -1.793 -5.069 -8.851) 10.356 20.830 ( 2.762 9.153 -6.577) 11.604 21.727 ( -2.908 -2.614 7.315) 8.294 22.025 ( 0.774 5.794 -0.358) 5.856 22.077 ( 7.876 2.377 5.837) 10.087 22.204 ( 5.067 -7.053 -4.185) 9.640 22.540 ( 5.600 3.470 -1.937) 6.867 24.361 ( -3.303 0.449 -0.863) 3.443 24.757 ( -5.000 -3.896 -0.098) 6.340 108.566 ( 0.208 0.279 -0.034) 0.349 108.733 ( 2.361 -2.362 1.406) 3.623 109.453 ( 0.619 2.593 -0.196) 2.673 109.502 ( 0.619 0.781 -0.681) 1.207 109.743 ( -1.311 -0.233 0.814) 1.561 109.864 ( -3.236 -1.423 -3.289) 4.828 ======================= Grid point 143 (74/148) ======================= q-point: (-0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -12.278 20.053 12.978) 26.857 1.611 ( -22.105 7.695 20.214) 30.927 2.220 ( -19.382 10.611 26.164) 34.247 3.015 ( -1.415 -8.297 -4.760) 9.670 3.255 ( 7.022 -5.530 1.709) 9.100 3.551 ( -4.807 2.616 0.063) 5.473 3.632 ( -15.609 -1.012 2.089) 15.781 4.041 ( -3.447 -3.724 -13.292) 14.228 4.453 ( -1.346 -7.801 -7.240) 10.727 4.525 ( 12.949 -2.894 3.939) 13.841 5.546 ( 5.379 4.974 -2.799) 7.843 5.556 ( 4.914 12.266 2.149) 13.387 5.690 ( 4.659 3.125 -5.975) 8.196 6.361 ( 3.847 -1.310 1.699) 4.405 6.446 ( 1.839 1.789 -0.238) 2.576 6.794 ( 5.639 -2.039 -0.600) 6.026 7.854 ( 5.698 1.402 -2.900) 6.546 8.102 ( 0.093 -2.724 -4.943) 5.645 8.498 ( -3.153 -8.610 -1.026) 9.226 9.071 ( 10.195 -4.722 -0.467) 11.245 9.309 ( 3.117 -1.956 3.401) 5.011 9.404 ( -3.277 -5.811 -0.332) 6.680 9.684 ( -1.040 5.591 -1.055) 5.784 10.104 ( -5.008 6.097 -1.302) 7.997 10.512 ( -5.411 3.732 1.132) 6.670 10.738 ( 7.310 0.169 1.347) 7.435 10.870 ( -3.591 0.799 2.385) 4.384 11.289 ( 4.104 -4.655 0.748) 6.251 11.582 ( 10.559 -2.298 -1.789) 10.953 11.615 ( 0.051 -0.157 -0.444) 0.474 12.143 ( -3.954 7.092 2.008) 8.365 12.331 ( -1.307 -5.668 -3.804) 6.950 12.645 ( -4.574 6.119 -2.752) 8.120 13.059 ( -5.429 -1.741 1.082) 5.803 13.325 ( 2.473 3.795 2.083) 4.985 13.785 ( 5.274 -6.406 0.204) 8.300 13.934 ( 2.295 -6.147 0.177) 6.564 14.414 ( -8.811 -3.179 -1.358) 9.465 14.476 ( -21.772 -1.285 -5.309) 22.447 14.812 ( -1.352 2.256 9.375) 9.737 15.288 ( 5.736 -10.851 7.092) 14.175 15.462 ( -3.225 3.262 -3.084) 5.527 15.710 ( 0.390 -13.447 -2.877) 13.757 15.937 ( 4.858 11.008 3.039) 12.410 16.452 ( 3.418 15.376 -4.881) 16.490 16.845 ( -15.438 7.161 0.705) 17.032 17.427 ( -11.016 -1.202 0.664) 11.101 18.040 ( -0.748 -14.387 5.756) 15.513 18.383 ( -0.786 2.881 6.619) 7.262 19.136 ( 6.665 13.537 -3.038) 15.392 20.148 ( 0.633 -6.784 -3.824) 7.813 20.534 ( -1.699 -9.856 -6.821) 12.106 20.874 ( 0.965 12.992 -8.722) 15.678 21.681 ( -2.409 0.529 6.384) 6.843 21.943 ( -7.041 7.768 0.115) 10.485 22.180 ( 1.118 -3.734 5.101) 6.420 22.432 ( 15.738 -2.187 -2.950) 16.161 22.637 ( 3.729 1.632 -2.699) 4.884 24.282 ( -3.852 0.126 0.598) 3.901 24.642 ( -5.422 -3.262 -1.346) 6.469 108.571 ( 0.204 0.289 0.118) 0.372 108.776 ( 1.062 -4.025 1.097) 4.305 109.470 ( 0.926 3.661 -1.014) 3.910 109.512 ( 0.327 0.789 -0.779) 1.156 109.719 ( -0.933 -0.308 0.736) 1.228 109.792 ( -2.638 -0.686 -1.763) 3.246 ======================= Grid point 144 (75/148) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -5.925 16.195 20.562) 26.836 1.579 ( -4.831 19.275 16.044) 25.540 2.484 ( 3.975 24.575 14.245) 28.682 2.654 ( -2.314 -20.132 7.600) 21.643 3.110 ( -3.754 -15.655 -2.425) 16.280 3.440 ( 0.691 5.674 -5.439) 7.890 3.704 ( 2.107 11.951 5.096) 13.162 3.958 ( -1.012 0.550 -8.342) 8.421 4.185 ( -2.386 -13.541 -7.842) 15.829 4.656 ( 9.515 -8.626 6.852) 14.557 5.628 ( -4.229 4.323 -11.441) 12.941 5.709 ( -1.940 4.364 -2.848) 5.561 6.057 ( 1.038 14.764 0.350) 14.805 6.399 ( -0.832 1.347 0.974) 1.859 6.482 ( -2.756 3.164 1.590) 4.487 6.787 ( -0.449 -4.424 1.102) 4.581 7.945 ( 0.741 -2.515 -3.681) 4.519 7.968 ( -1.722 -7.013 -2.852) 7.764 8.320 ( 3.109 -2.817 -0.586) 4.236 8.979 ( -1.122 -14.148 -0.125) 14.192 9.202 ( -2.321 -5.160 0.674) 5.698 9.297 ( 3.218 -5.392 3.698) 7.287 9.765 ( -0.985 7.581 -3.595) 8.448 10.148 ( 1.028 1.982 -0.850) 2.389 10.575 ( 0.500 7.248 -0.728) 7.302 10.811 ( -1.536 7.535 2.027) 7.952 11.073 ( -1.706 9.634 -0.231) 9.787 11.190 ( 3.655 -11.088 -0.613) 11.691 11.490 ( 1.062 -7.564 0.685) 7.669 11.652 ( -0.540 -7.745 -2.255) 8.084 12.114 ( -8.117 9.672 -2.089) 12.798 12.389 ( 4.304 1.162 -5.081) 6.759 12.771 ( -2.416 8.660 3.515) 9.653 12.928 ( -3.693 0.853 1.509) 4.080 13.368 ( -0.295 -2.185 1.662) 2.761 13.510 ( -2.141 -10.575 7.516) 13.149 13.966 ( -1.741 2.403 1.101) 3.165 14.024 ( -16.065 -0.510 -4.878) 16.797 14.310 ( 0.402 -0.725 2.330) 2.473 14.782 ( 5.733 -10.722 6.807) 13.935 15.103 ( -1.828 -5.481 0.596) 5.809 15.339 ( -0.332 -8.910 1.918) 9.120 15.856 ( 6.986 12.643 -2.962) 14.746 16.183 ( 6.113 2.169 2.856) 7.087 16.667 ( -4.060 10.988 -0.735) 11.737 16.967 ( 6.499 6.627 -2.472) 9.606 17.288 ( -1.156 2.260 0.619) 2.613 17.752 ( 0.771 -13.324 6.918) 15.033 18.599 ( 4.910 12.653 8.398) 15.961 19.449 ( 6.917 0.323 -6.119) 9.241 20.016 ( 0.278 -6.170 -1.767) 6.425 20.298 ( 1.023 -8.421 -10.925) 13.831 21.082 ( -9.104 15.187 -12.785) 21.840 21.762 ( -9.882 -4.238 -1.559) 10.865 21.818 ( 3.521 9.130 7.245) 12.175 22.193 ( 0.476 0.127 3.618) 3.651 22.577 ( 2.134 -3.079 0.248) 3.754 22.724 ( 5.014 -3.169 -1.574) 6.137 24.275 ( 1.888 2.218 1.717) 3.381 24.496 ( -1.384 -3.708 -1.834) 4.362 108.585 ( 0.118 0.812 0.421) 0.922 108.691 ( -1.109 -3.053 2.096) 3.866 109.532 ( 0.069 1.194 -0.722) 1.398 109.543 ( -0.647 2.356 -1.977) 3.143 109.704 ( -0.077 0.082 0.108) 0.156 109.767 ( 1.497 -1.366 -0.898) 2.216 ======================= Grid point 145 (76/148) ======================= q-point: ( 0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.469 17.360 18.707) 25.525 1.701 ( 11.869 14.383 19.230) 26.787 2.621 ( -0.004 -19.611 8.408) 21.337 2.720 ( 13.378 5.990 5.591) 15.688 3.132 ( 7.209 -4.231 -2.570) 8.745 3.392 ( -3.757 6.591 -3.028) 8.168 3.808 ( 5.718 12.896 6.997) 15.747 3.953 ( 1.600 -1.341 -10.584) 10.787 4.147 ( -0.459 -8.078 -5.694) 9.894 4.860 ( 9.100 -8.875 7.576) 14.798 5.425 ( -11.628 7.193 -10.374) 17.163 5.652 ( -4.427 2.189 -2.170) 5.394 5.956 ( -8.611 9.785 -1.385) 13.107 6.292 ( -10.664 -0.404 -0.022) 10.672 6.376 ( -6.398 3.585 0.869) 7.385 6.706 ( -7.396 -4.299 1.787) 8.739 7.927 ( -1.483 -2.298 -3.897) 4.761 7.976 ( 2.555 -4.355 -1.566) 5.286 8.440 ( 7.473 -3.412 -2.111) 8.483 8.844 ( -9.252 -11.906 -0.079) 15.078 9.211 ( 2.594 -3.275 1.525) 4.447 9.420 ( 5.699 -5.803 1.568) 8.283 9.762 ( 0.524 9.363 -4.310) 10.320 10.226 ( 4.698 2.363 -1.666) 5.516 10.642 ( 4.432 5.985 0.613) 7.473 10.713 ( -5.916 7.377 1.657) 9.600 10.961 ( -4.102 2.662 1.287) 5.056 11.254 ( 0.434 -6.397 0.852) 6.468 11.436 ( -15.560 -7.954 -1.893) 17.577 11.565 ( 4.750 -9.644 1.455) 10.848 12.049 ( 1.337 11.975 -2.212) 12.250 12.487 ( 4.623 -0.593 -6.396) 7.914 12.573 ( -11.906 7.412 3.250) 14.396 12.924 ( -2.266 -3.565 3.911) 5.757 13.381 ( 0.374 0.057 1.955) 1.991 13.488 ( -0.192 -5.250 3.451) 6.286 13.788 ( -6.662 -3.627 3.130) 8.206 13.883 ( -5.598 -3.973 1.852) 7.111 14.411 ( 9.325 3.220 0.609) 9.884 14.905 ( 5.688 -4.814 3.160) 8.094 15.089 ( 0.451 -3.821 0.675) 3.906 15.402 ( 5.488 -9.396 0.714) 10.904 15.981 ( 4.971 12.104 -1.394) 13.159 16.306 ( 1.420 -0.026 3.910) 4.160 16.688 ( 9.424 12.802 -5.774) 16.913 17.118 ( 7.563 3.368 -5.199) 9.776 17.395 ( 10.116 1.742 2.859) 10.656 17.793 ( 2.549 -12.938 7.639) 15.239 18.748 ( 7.982 12.163 8.711) 16.957 19.536 ( 0.985 3.479 -6.939) 7.825 20.016 ( -0.117 -6.303 -1.705) 6.530 20.325 ( 2.285 -5.531 -13.011) 14.321 20.838 ( -10.577 14.107 -8.480) 19.565 21.567 ( -8.596 -6.379 1.216) 10.773 21.892 ( 2.721 10.271 5.161) 11.812 22.181 ( -1.957 -0.712 4.002) 4.511 22.538 ( -4.418 -2.101 0.754) 4.950 22.780 ( -0.756 -5.454 -2.790) 6.173 24.377 ( 6.624 0.645 0.674) 6.689 24.500 ( 1.857 -2.707 -2.077) 3.884 108.588 ( 0.096 0.736 0.266) 0.789 108.666 ( -1.200 -1.861 2.136) 3.077 109.520 ( -1.157 2.640 -1.090) 3.081 109.529 ( -0.307 1.200 -0.670) 1.408 109.712 ( 0.814 0.118 0.109) 0.829 109.814 ( 2.509 -2.820 -1.879) 4.217 ======================= Grid point 146 (77/148) ======================= q-point: ( 0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 10.246 10.870 14.013) 20.481 2.047 ( 18.672 12.054 15.903) 27.329 2.639 ( 1.329 -20.175 7.203) 21.463 2.930 ( 4.740 -14.034 3.154) 15.145 3.336 ( 4.650 4.397 -8.436) 10.588 3.422 ( 12.732 12.586 -2.004) 18.015 3.874 ( -1.432 -1.190 0.758) 2.010 4.009 ( 4.001 -1.834 -11.962) 12.746 4.198 ( 7.191 7.935 7.518) 13.084 5.040 ( 7.399 -2.809 6.204) 10.056 5.187 ( -9.357 2.992 -7.921) 12.619 5.531 ( -6.501 0.873 -0.349) 6.569 5.764 ( -8.478 6.098 -2.677) 10.781 5.983 ( -16.640 -0.262 0.043) 16.642 6.242 ( -5.949 0.492 -1.581) 6.175 6.493 ( -12.039 -5.309 1.741) 13.272 7.890 ( -1.856 1.611 -2.754) 3.691 8.063 ( 5.460 -0.334 -2.363) 5.958 8.577 ( 0.162 -5.999 -1.082) 6.098 8.657 ( -3.785 -6.967 -2.173) 8.220 9.271 ( 2.290 -0.467 0.508) 2.391 9.475 ( -0.655 -2.756 -1.893) 3.407 9.767 ( -0.271 10.166 -3.064) 10.621 10.278 ( 0.223 3.818 -1.859) 4.252 10.500 ( -8.027 0.445 0.526) 8.056 10.868 ( 6.608 3.455 2.247) 7.788 10.915 ( -0.397 -2.364 1.114) 2.644 11.108 ( -7.107 -1.023 0.498) 7.198 11.318 ( 3.326 -5.900 2.638) 7.269 11.652 ( 3.024 -12.806 3.285) 13.562 12.111 ( 2.960 11.943 -2.008) 12.467 12.345 ( -7.392 5.000 2.465) 9.258 12.570 ( 2.496 -0.413 -3.572) 4.377 12.841 ( -3.814 -8.228 1.543) 9.199 13.315 ( -5.761 4.124 2.690) 7.578 13.523 ( 1.528 -3.966 -3.300) 5.381 13.655 ( -6.709 -3.879 4.815) 9.124 13.801 ( -2.622 -10.803 7.150) 13.218 14.644 ( 10.885 3.502 -0.708) 11.456 15.018 ( 4.184 -6.529 -0.199) 7.757 15.137 ( 4.610 4.185 0.500) 6.246 15.525 ( 5.440 -7.752 -0.120) 9.471 16.087 ( 5.240 13.286 -0.553) 14.293 16.270 ( -2.499 8.015 4.572) 9.560 16.973 ( 14.980 5.127 -8.927) 18.176 17.295 ( 9.493 0.703 -5.491) 10.989 17.633 ( 10.710 0.516 3.639) 11.323 17.870 ( 4.172 -11.987 8.541) 15.299 18.918 ( 6.766 11.417 8.346) 15.678 19.467 ( -6.493 9.427 -4.302) 12.228 20.011 ( -0.035 -6.487 -2.527) 6.962 20.369 ( 2.997 -3.300 -14.521) 15.190 20.708 ( -0.890 8.623 -6.490) 10.829 21.404 ( -6.714 -10.587 0.460) 12.545 21.936 ( 1.123 8.812 3.125) 9.417 22.120 ( -3.847 -0.727 4.363) 5.862 22.421 ( -6.436 -0.810 2.320) 6.889 22.698 ( -6.117 -3.152 -1.546) 7.053 24.492 ( 3.320 -0.344 0.121) 3.340 24.574 ( 5.348 -2.689 -1.423) 6.153 108.589 ( -0.043 0.615 0.064) 0.620 108.648 ( -0.677 -1.166 1.553) 2.057 109.498 ( -0.803 2.468 -0.473) 2.639 109.519 ( -0.538 1.238 -0.596) 1.475 109.736 ( 1.305 0.134 0.207) 1.328 109.858 ( 1.778 -3.427 -2.292) 4.490 ======================= Grid point 147 (78/148) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 15.225 6.050 6.201) 17.517 2.477 ( 20.411 8.074 13.579) 25.810 2.693 ( 3.958 -17.538 3.340) 18.286 3.005 ( 3.584 -9.166 6.955) 12.052 3.373 ( -1.915 3.225 -4.694) 6.008 3.662 ( 8.854 8.893 -9.961) 16.022 3.774 ( -6.932 -3.935 0.029) 7.971 4.036 ( -1.102 2.770 -4.848) 5.692 4.453 ( 13.376 5.827 3.321) 14.963 5.007 ( -8.148 -1.757 -4.863) 9.650 5.187 ( 5.415 -0.887 3.773) 6.660 5.406 ( -4.199 1.110 0.945) 4.445 5.618 ( -5.671 2.489 -0.650) 6.228 5.698 ( -7.881 3.411 0.240) 8.591 6.135 ( -4.539 -3.598 -5.463) 7.962 6.271 ( -6.894 -6.573 1.553) 9.651 7.841 ( -2.488 5.453 -1.976) 6.311 8.190 ( 6.442 3.188 -2.697) 7.676 8.341 ( -15.034 -2.461 -2.102) 15.378 8.745 ( 4.685 -5.846 -1.141) 7.578 9.295 ( 0.148 0.986 -2.300) 2.507 9.429 ( -2.289 -1.004 -3.436) 4.249 9.730 ( -2.688 9.871 -1.397) 10.325 10.230 ( -5.385 7.746 -0.327) 9.439 10.408 ( -0.505 -11.472 0.041) 11.483 10.710 ( -6.806 -5.353 -0.971) 8.713 11.063 ( 0.232 -2.137 2.992) 3.684 11.133 ( 8.062 2.657 3.113) 9.042 11.468 ( 9.493 -2.069 3.384) 10.288 11.699 ( 1.557 -10.315 6.446) 12.263 12.089 ( -3.295 10.948 -0.164) 11.434 12.330 ( 3.725 2.430 1.773) 4.787 12.607 ( 2.244 0.044 -1.199) 2.545 12.800 ( -0.692 -7.422 -1.728) 7.652 13.191 ( -5.736 0.659 2.907) 6.464 13.461 ( -5.074 -5.586 -1.938) 7.791 13.598 ( -0.316 -1.657 1.358) 2.165 13.751 ( -2.752 -10.423 6.877) 12.787 14.817 ( 5.476 2.675 -2.340) 6.528 15.071 ( 1.406 -4.771 -2.728) 5.673 15.268 ( 6.559 6.036 -0.351) 8.921 15.618 ( 3.408 -6.117 -0.452) 7.017 16.170 ( 2.114 14.864 1.465) 15.085 16.272 ( 2.457 13.253 2.803) 13.767 17.237 ( 10.242 0.822 -9.183) 13.780 17.473 ( 6.954 -1.567 -3.454) 7.921 17.802 ( 4.789 -1.790 2.392) 5.645 17.983 ( 5.483 -9.553 10.424) 15.166 19.019 ( 1.871 10.552 7.160) 12.889 19.296 ( -8.878 11.278 -0.274) 14.356 20.017 ( 0.894 -6.179 -3.890) 7.356 20.429 ( 3.690 -4.219 -15.493) 16.476 20.752 ( 4.429 6.008 -7.183) 10.358 21.309 ( -1.654 -13.160 -0.859) 13.292 21.933 ( -1.875 4.825 0.036) 5.176 22.050 ( -2.648 0.991 5.291) 5.999 22.289 ( -5.955 1.156 4.639) 7.637 22.552 ( -7.057 -0.353 0.158) 7.068 24.529 ( 0.608 0.598 0.084) 0.857 24.686 ( 4.755 -3.760 0.315) 6.070 108.585 ( -0.289 0.572 -0.025) 0.642 108.639 ( -0.274 -0.982 0.834) 1.317 109.485 ( -0.431 2.137 -0.243) 2.194 109.507 ( -0.534 1.251 -0.500) 1.449 109.763 ( 1.178 0.145 0.300) 1.225 109.886 ( 1.114 -3.320 -2.228) 4.151 ======================= Grid point 148 (79/148) ======================= q-point: ( 0.44 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 12.602 4.600 0.347) 13.420 2.785 ( 6.812 -9.251 7.310) 13.617 2.907 ( 12.016 -2.777 2.680) 12.620 3.093 ( 6.632 2.201 8.828) 11.259 3.217 ( -11.637 0.873 -0.216) 11.671 3.619 ( -6.762 -2.095 5.406) 8.907 3.799 ( 4.879 6.789 -12.121) 14.725 3.974 ( -3.538 5.343 -0.369) 6.419 4.662 ( 6.009 -2.398 -6.039) 8.850 4.796 ( -10.825 -8.184 -2.912) 13.879 5.270 ( 2.627 3.358 2.581) 4.984 5.383 ( 1.545 3.901 -1.197) 4.363 5.521 ( -2.484 1.031 3.106) 4.108 5.662 ( 0.345 3.600 0.881) 3.722 6.039 ( -2.356 -6.932 -5.994) 9.462 6.250 ( 2.872 -7.442 -0.058) 7.977 7.804 ( -0.670 6.428 -0.928) 6.529 8.021 ( -11.334 -0.355 -3.613) 11.901 8.332 ( 5.900 8.915 -2.811) 11.054 8.811 ( 1.717 -5.380 0.724) 5.694 9.282 ( -0.937 1.683 -4.436) 4.836 9.396 ( -0.701 -1.546 -3.050) 3.491 9.677 ( -1.671 8.690 -0.778) 8.884 10.109 ( -4.240 2.684 0.418) 5.035 10.413 ( 0.219 -5.588 -0.702) 5.637 10.660 ( 0.427 -10.343 -0.094) 10.352 11.046 ( -1.251 -3.600 3.292) 5.036 11.239 ( 1.410 -2.253 3.508) 4.401 11.629 ( 3.687 -0.189 1.929) 4.166 11.750 ( 2.418 -0.989 9.060) 9.429 12.057 ( 0.791 8.874 0.689) 8.936 12.405 ( 2.440 -2.231 1.601) 3.674 12.679 ( 4.552 0.168 -0.990) 4.661 12.802 ( 1.708 -0.298 -1.437) 2.252 13.095 ( -3.089 -4.746 3.385) 6.597 13.377 ( -3.600 -11.363 -0.826) 11.948 13.607 ( 2.197 -0.665 4.040) 4.646 13.710 ( -1.190 -4.586 0.552) 4.770 14.877 ( 0.792 2.224 -3.559) 4.271 15.080 ( -0.276 -3.386 -4.546) 5.675 15.373 ( 2.985 5.776 -0.910) 6.565 15.667 ( 1.360 -5.937 -0.619) 6.122 16.207 ( 1.418 16.976 3.334) 17.359 16.318 ( 0.699 15.277 0.968) 15.324 17.370 ( 2.683 1.520 -10.956) 11.382 17.568 ( 2.560 -3.520 1.213) 4.518 17.854 ( 0.381 -5.291 0.030) 5.304 18.071 ( 0.969 -8.608 12.611) 15.299 19.004 ( -3.494 8.952 5.065) 10.862 19.119 ( -7.415 10.793 1.498) 13.180 20.038 ( 1.146 -5.274 -4.545) 7.056 20.483 ( 2.341 -8.161 -15.761) 17.903 20.845 ( 4.420 7.174 -6.513) 10.650 21.352 ( 5.801 -11.818 -2.468) 13.394 21.877 ( -2.538 1.410 -1.034) 3.082 22.004 ( -2.933 0.192 4.058) 5.011 22.199 ( -2.674 4.238 7.075) 8.669 22.434 ( -3.566 1.677 1.659) 4.275 24.526 ( -0.818 1.810 0.521) 2.054 24.762 ( 2.282 -4.818 1.162) 5.456 108.578 ( -0.315 0.611 -0.099) 0.695 108.637 ( 0.022 -1.060 0.452) 1.152 109.479 ( -0.109 1.919 -0.186) 1.931 109.498 ( -0.213 1.227 -0.423) 1.315 109.782 ( 0.515 0.169 0.341) 0.641 109.901 ( 0.429 -3.073 -2.119) 3.757 ======================= Grid point 149 (80/148) ======================= q-point: (-0.44 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 2.663 5.347 1.553) 6.172 2.745 ( -14.527 3.921 3.309) 15.407 2.939 ( -6.169 -5.594 0.417) 8.338 3.021 ( -0.221 -10.191 3.934) 10.926 3.397 ( 13.677 3.429 7.216) 15.839 3.552 ( 2.419 2.141 5.148) 6.078 3.776 ( -7.208 6.480 -7.246) 12.102 3.974 ( 3.634 5.033 -0.212) 6.211 4.568 ( -9.821 -8.654 -7.357) 15.016 4.713 ( -1.196 -8.613 -2.973) 9.190 5.311 ( 1.585 4.796 0.675) 5.096 5.491 ( 8.017 2.964 -0.499) 8.562 5.503 ( -1.086 7.140 -0.423) 7.234 5.614 ( -2.118 -0.525 3.157) 3.838 6.067 ( 5.497 -7.431 -5.098) 10.556 6.312 ( 2.026 -8.203 -0.203) 8.452 7.746 ( -2.759 7.220 -1.610) 7.895 8.029 ( 10.903 -1.008 -2.783) 11.298 8.398 ( -0.273 10.003 -2.877) 10.413 8.827 ( -0.428 -3.837 0.871) 3.958 9.255 ( -0.938 3.057 -4.616) 5.616 9.384 ( -0.354 -1.927 -1.899) 2.729 9.678 ( 1.990 7.105 -1.458) 7.521 10.099 ( 3.492 3.070 0.379) 4.665 10.417 ( 0.171 -7.149 -0.585) 7.175 10.662 ( -0.295 -10.626 -0.127) 10.631 11.038 ( 0.427 -2.353 3.095) 3.911 11.215 ( -3.916 -0.451 3.478) 5.257 11.595 ( -6.586 0.658 1.756) 6.847 11.778 ( -0.710 1.355 7.030) 7.194 12.121 ( 4.532 2.324 0.769) 5.151 12.421 ( -0.551 -0.875 2.130) 2.368 12.823 ( 9.496 -0.561 -0.031) 9.513 12.862 ( 3.027 1.207 -2.304) 3.991 13.090 ( 2.487 -5.278 3.116) 6.615 13.287 ( -4.271 -11.566 2.292) 12.541 13.659 ( 0.244 1.749 -4.962) 5.266 13.772 ( 9.035 -4.365 9.041) 13.506 14.862 ( -1.657 0.777 -3.807) 4.224 15.042 ( -3.143 -4.689 -5.253) 7.711 15.382 ( -2.042 6.355 -0.760) 6.718 15.673 ( -0.843 -6.262 -0.683) 6.355 16.214 ( -1.676 16.361 3.128) 16.742 16.292 ( -2.960 16.684 0.301) 16.947 17.316 ( -6.687 6.349 -11.879) 15.038 17.603 ( 0.484 -6.965 4.239) 8.168 17.812 ( -4.822 -5.628 -1.999) 7.676 18.026 ( -5.836 -10.194 13.432) 17.844 18.903 ( -6.059 8.284 3.789) 10.940 19.013 ( -2.244 9.021 1.028) 9.352 20.046 ( -0.166 -4.795 -5.192) 7.070 20.494 ( -0.262 -11.480 -14.502) 18.497 20.922 ( 3.642 10.457 -5.434) 12.335 21.526 ( 10.302 -9.223 -3.936) 14.376 21.840 ( -1.580 -0.281 0.855) 1.818 21.936 ( -2.429 -2.047 3.263) 4.554 22.187 ( 0.551 6.611 7.032) 9.668 22.419 ( 1.766 2.100 1.816) 3.291 24.499 ( -1.749 2.511 0.362) 3.082 24.781 ( -0.545 -5.510 1.264) 5.679 108.573 ( -0.133 0.664 -0.125) 0.689 108.642 ( 0.436 -1.308 0.474) 1.457 109.480 ( 0.184 1.958 -0.193) 1.976 109.499 ( 0.296 1.158 -0.417) 1.266 109.783 ( -0.388 0.188 0.364) 0.565 109.899 ( -0.500 -2.900 -2.156) 3.648 ======================= Grid point 150 (81/148) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -13.617 8.865 8.934) 18.543 2.420 ( -11.297 6.218 5.257) 13.925 2.784 ( -6.164 -7.962 5.676) 11.559 2.998 ( -3.666 -9.143 -2.393) 10.137 3.517 ( -16.608 8.579 -1.624) 18.763 3.599 ( 8.414 -0.694 -2.967) 8.949 3.723 ( 7.131 1.085 2.879) 7.767 4.045 ( 2.726 5.955 2.964) 7.189 4.385 ( -6.512 -12.651 -9.287) 16.991 4.569 ( -12.609 -6.106 1.220) 14.063 5.363 ( 3.802 5.367 -0.397) 6.589 5.451 ( 1.712 9.720 -1.920) 10.055 5.664 ( 5.417 2.031 2.203) 6.190 5.756 ( 14.806 -1.444 -0.964) 14.907 6.234 ( 9.020 -6.957 -3.802) 12.009 6.357 ( 4.163 -6.698 0.781) 7.925 7.751 ( 2.559 8.514 -1.965) 9.105 8.274 ( 1.015 0.111 -2.717) 2.903 8.377 ( 8.738 1.593 -1.979) 9.100 8.757 ( -6.957 -3.284 -0.950) 7.751 9.257 ( 1.496 4.679 -2.618) 5.567 9.379 ( -0.074 -1.921 -1.164) 2.247 9.755 ( 5.062 7.220 -2.547) 9.178 10.209 ( 4.353 6.846 -0.040) 8.112 10.431 ( 2.715 -14.193 -0.042) 14.450 10.693 ( 4.062 -5.177 -0.504) 6.599 11.046 ( -4.005 1.250 2.384) 4.825 11.081 ( -5.143 2.821 2.601) 6.417 11.432 ( -7.182 -1.821 2.009) 7.676 11.731 ( -3.932 -3.385 4.275) 6.723 12.206 ( 3.254 -1.926 -1.496) 4.067 12.419 ( -0.055 7.025 3.429) 7.817 12.887 ( -0.675 -4.632 -2.219) 5.180 13.026 ( 7.685 -0.635 -2.467) 8.096 13.182 ( 4.633 0.272 3.047) 5.552 13.256 ( 3.221 -11.255 3.091) 12.108 13.677 ( 2.946 5.106 -2.568) 6.430 14.030 ( 13.537 -8.270 13.246) 20.666 14.791 ( -5.636 -0.783 -3.943) 6.923 14.954 ( -4.146 -7.764 -3.544) 9.489 15.290 ( -6.327 6.779 -0.267) 9.277 15.627 ( -3.534 -6.995 -0.602) 7.860 16.122 ( -7.201 14.344 0.733) 16.067 16.214 ( -4.001 16.360 0.784) 16.861 17.099 ( -12.178 9.530 -11.415) 19.221 17.555 ( -8.525 -4.021 1.095) 9.489 17.656 ( -6.744 -5.160 3.583) 9.216 17.899 ( -6.149 -12.450 8.771) 16.424 18.761 ( -7.416 9.337 3.423) 12.406 19.033 ( 3.602 5.928 0.981) 7.006 20.026 ( -0.975 -5.010 -5.721) 7.666 20.449 ( -2.811 -12.911 -12.930) 18.487 21.004 ( 4.781 14.147 -5.111) 15.783 21.735 ( 6.131 -5.473 -3.406) 8.896 21.803 ( 2.060 -0.894 4.631) 5.147 21.951 ( 2.784 -5.968 0.456) 6.601 22.219 ( 1.777 8.334 6.308) 10.602 22.489 ( 4.298 1.353 0.828) 4.582 24.452 ( -2.706 2.480 -0.428) 3.696 24.743 ( -3.098 -5.853 0.752) 6.665 108.573 ( 0.091 0.725 -0.040) 0.732 108.657 ( 0.964 -1.808 0.806) 2.201 109.488 ( 0.599 2.181 -0.275) 2.279 109.509 ( 0.638 1.131 -0.487) 1.387 109.767 ( -1.131 0.158 0.387) 1.206 109.875 ( -1.641 -2.701 -2.319) 3.920 ======================= Grid point 151 (82/148) ======================= q-point: (-0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -15.798 13.505 8.699) 22.531 2.175 ( -15.297 11.739 17.360) 25.945 2.740 ( -0.229 -13.928 4.367) 14.598 2.884 ( -8.934 -2.726 -2.394) 9.642 3.143 ( -12.705 8.480 4.939) 16.053 3.709 ( -4.730 -1.277 -5.158) 7.114 3.758 ( 1.789 -1.031 -5.309) 5.697 4.074 ( -4.964 -1.712 -0.795) 5.311 4.251 ( -1.716 -11.997 -1.087) 12.168 4.377 ( -1.888 -0.731 0.676) 2.134 5.465 ( 5.739 4.664 -2.119) 7.693 5.592 ( 10.344 9.048 -2.182) 13.914 5.773 ( 4.641 6.711 -0.902) 8.209 6.096 ( 15.958 -2.594 0.422) 16.172 6.364 ( 4.921 -2.898 -1.137) 5.823 6.543 ( 10.880 -5.973 0.946) 12.448 7.822 ( 4.003 7.451 -1.943) 8.678 8.153 ( -6.774 1.739 -3.949) 8.031 8.551 ( -10.609 -4.043 -1.423) 11.442 8.655 ( 11.833 -9.988 -0.549) 15.494 9.285 ( 0.408 2.283 1.447) 2.733 9.371 ( -0.953 -1.884 -2.404) 3.200 9.839 ( 1.687 8.139 -2.658) 8.727 10.241 ( -0.021 2.083 -1.406) 2.513 10.551 ( 7.469 -1.649 0.158) 7.650 10.777 ( -2.592 2.176 1.175) 3.583 10.864 ( -2.756 -0.815 1.330) 3.167 11.114 ( 5.172 0.240 0.804) 5.239 11.346 ( -0.325 -4.692 0.317) 4.714 11.641 ( -4.444 -7.499 2.100) 8.967 12.265 ( 2.502 1.052 -2.270) 3.538 12.401 ( -1.881 11.243 2.757) 11.728 12.821 ( -5.126 -4.010 -3.448) 7.365 13.094 ( 0.662 2.799 -2.455) 3.782 13.298 ( 5.276 2.050 3.721) 6.774 13.400 ( 7.580 -16.206 2.274) 18.035 13.795 ( 7.770 5.436 1.496) 9.600 14.308 ( 9.843 -12.102 11.534) 19.400 14.621 ( -8.597 -2.084 -0.197) 8.848 14.835 ( -9.472 -8.034 -2.384) 12.647 15.167 ( -3.385 3.636 1.160) 5.101 15.529 ( -5.569 -8.344 -0.110) 10.033 15.932 ( -9.878 14.607 -2.057) 17.753 16.138 ( -2.982 11.737 1.395) 12.191 16.842 ( -9.827 12.978 -9.721) 18.961 17.267 ( -15.363 1.577 -0.354) 15.448 17.552 ( -6.035 -4.657 4.837) 9.028 17.797 ( -3.902 -13.663 5.819) 15.355 18.618 ( -5.907 11.196 4.749) 13.520 19.143 ( 6.419 3.108 -0.245) 7.136 20.008 ( -0.205 -5.383 -5.005) 7.353 20.370 ( -3.328 -12.930 -11.103) 17.365 21.110 ( 5.262 16.508 -7.201) 18.763 21.732 ( -0.779 2.556 6.295) 6.839 21.987 ( 6.991 -9.177 -8.443) 14.296 22.010 ( 4.083 -5.174 3.536) 7.480 22.273 ( 3.456 9.441 7.046) 12.277 22.581 ( 4.110 0.396 -0.009) 4.129 24.383 ( -3.833 1.990 -0.906) 4.413 24.658 ( -4.755 -5.798 -0.186) 7.501 108.576 ( 0.228 0.793 0.146) 0.838 108.681 ( 1.148 -2.658 1.273) 3.162 109.505 ( 1.069 2.291 -0.571) 2.592 109.523 ( 0.742 1.278 -0.629) 1.606 109.740 ( -1.363 0.076 0.366) 1.413 109.828 ( -2.596 -2.145 -2.267) 4.060 ======================= Grid point 152 (83/148) ======================= q-point: (-0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -10.344 16.313 15.079) 24.505 1.838 ( -16.631 15.641 14.937) 27.283 2.574 ( -13.024 22.536 13.513) 29.328 2.713 ( -3.512 -18.922 5.668) 20.062 3.140 ( 4.204 -9.698 1.848) 10.731 3.498 ( -9.552 -2.093 -10.554) 14.388 3.726 ( -3.435 5.514 1.508) 6.669 3.986 ( -1.105 0.266 -5.530) 5.645 4.244 ( -1.982 -13.997 -6.874) 15.719 4.462 ( 8.003 -3.882 5.470) 10.442 5.588 ( 5.594 3.796 -4.922) 8.362 5.751 ( 1.537 2.438 -6.327) 6.953 5.910 ( 10.005 17.361 1.012) 20.063 6.348 ( 6.636 0.065 2.018) 6.936 6.465 ( 4.054 0.299 0.180) 4.068 6.728 ( 5.919 -4.861 1.107) 7.739 7.902 ( 3.432 3.145 -3.247) 5.676 8.032 ( -4.091 -3.831 -3.411) 6.562 8.352 ( -6.431 -4.619 -0.766) 7.955 8.874 ( 8.841 -13.623 0.083) 16.240 9.264 ( -2.513 -3.143 2.716) 4.855 9.320 ( -3.408 -2.621 -0.575) 4.337 9.813 ( -2.771 7.555 -2.698) 8.488 10.196 ( -3.938 0.886 -1.126) 4.191 10.615 ( -4.019 6.553 -0.180) 7.689 10.765 ( 6.618 5.296 0.595) 8.497 10.926 ( 6.953 2.760 0.699) 7.513 11.206 ( 0.241 -2.429 0.443) 2.481 11.456 ( 8.402 -9.293 -2.838) 12.846 11.566 ( -0.916 -5.860 1.539) 6.127 12.288 ( -2.988 5.635 -3.119) 7.100 12.340 ( -1.900 6.820 -0.044) 7.080 12.743 ( -0.177 4.079 -0.866) 4.174 13.060 ( -4.607 2.044 0.157) 5.043 13.367 ( 1.036 0.150 3.058) 3.233 13.518 ( 2.502 -16.309 3.684) 16.906 13.945 ( 4.518 3.852 1.544) 6.135 14.332 ( -5.854 -5.361 -1.490) 8.076 14.442 ( -16.005 -1.856 -3.727) 16.538 14.667 ( 2.476 -12.445 11.442) 17.086 15.144 ( -1.068 -2.391 1.936) 3.256 15.406 ( -5.499 -9.263 1.212) 10.840 15.783 ( -1.953 15.339 -3.383) 15.828 16.112 ( 0.715 6.141 2.902) 6.830 16.722 ( -1.349 12.806 -4.788) 13.739 16.987 ( -9.437 6.079 -1.013) 11.270 17.400 ( -7.823 -1.315 2.018) 8.185 17.750 ( -1.153 -13.620 6.238) 15.025 18.548 ( -0.821 12.444 6.900) 14.253 19.292 ( 7.766 0.984 -3.076) 8.411 20.009 ( 0.477 -5.742 -3.216) 6.598 20.309 ( -1.363 -11.294 -10.126) 15.230 21.177 ( 0.758 16.159 -11.214) 19.683 21.750 ( 1.949 5.986 7.851) 10.063 21.948 ( -6.108 -7.382 -5.810) 11.205 22.148 ( 4.044 -1.035 1.746) 4.524 22.418 ( 9.738 2.329 4.549) 10.998 22.652 ( 2.682 -0.440 -0.377) 2.744 24.300 ( -3.515 1.920 0.305) 4.017 24.558 ( -4.247 -4.985 -1.178) 6.654 108.581 ( 0.210 0.828 0.351) 0.923 108.699 ( 0.253 -3.456 1.692) 3.856 109.526 ( 0.693 1.524 -0.823) 1.866 109.540 ( 0.894 2.000 -1.377) 2.588 109.715 ( -0.948 0.030 0.255) 0.982 109.774 ( -1.906 -1.161 -1.395) 2.632 ======================= Grid point 153 (84/148) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -4.357 16.912 19.001) 25.808 2.024 ( -5.592 21.764 7.051) 23.551 2.250 ( -3.361 -17.690 12.895) 22.148 2.522 ( -4.456 -21.155 2.904) 21.813 3.249 ( 4.305 28.097 2.923) 28.575 3.574 ( 2.325 7.142 -5.634) 9.389 3.720 ( 2.368 -6.939 -6.073) 9.520 3.798 ( -1.316 -22.139 -3.903) 22.519 4.175 ( 1.978 14.296 3.595) 14.873 4.446 ( 5.586 -12.471 6.152) 14.986 5.710 ( -2.050 3.625 -10.128) 10.951 5.751 ( -2.238 -0.182 -7.844) 8.159 6.318 ( -2.290 9.977 0.976) 10.283 6.415 ( -2.080 -0.684 1.202) 2.498 6.559 ( -0.357 4.807 2.941) 5.647 6.676 ( -0.039 -6.527 2.748) 7.082 7.852 ( -1.882 -3.244 -3.062) 4.842 7.863 ( -0.667 -3.973 -3.348) 5.238 8.413 ( 2.427 10.601 -0.303) 10.879 8.679 ( 0.514 -15.380 -0.307) 15.392 9.149 ( -1.247 -0.041 1.241) 1.760 9.195 ( 0.557 -4.350 2.477) 5.037 9.931 ( 0.040 8.731 -3.310) 9.337 10.088 ( 0.956 -6.606 -1.977) 6.961 10.746 ( 0.187 9.876 -1.885) 10.056 10.945 ( 0.216 -8.227 -1.472) 8.360 11.052 ( -0.035 10.446 0.834) 10.479 11.270 ( -0.291 4.623 -0.246) 4.639 11.306 ( 1.069 -5.958 0.332) 6.063 11.479 ( -1.844 -9.668 -1.834) 10.012 12.295 ( -4.279 7.602 -3.203) 9.293 12.387 ( 0.485 -1.900 -4.438) 4.852 12.916 ( -0.265 5.291 6.022) 8.021 12.964 ( -8.007 1.384 3.953) 9.037 13.290 ( 1.181 -3.062 2.666) 4.228 13.336 ( 0.905 -6.297 7.690) 9.980 14.011 ( -7.977 1.867 -1.456) 8.321 14.030 ( -12.648 0.092 -3.867) 13.226 14.340 ( 4.413 4.713 1.601) 6.652 14.513 ( 7.628 -12.685 2.179) 14.961 15.096 ( -1.286 2.605 2.399) 3.768 15.185 ( -0.542 -6.357 2.380) 6.810 16.078 ( 4.415 8.636 0.603) 9.718 16.185 ( 3.838 -2.407 2.503) 5.176 16.884 ( -0.748 9.925 -2.587) 10.284 17.012 ( 2.389 -2.304 -3.023) 4.490 17.363 ( 0.733 5.788 2.743) 6.447 17.521 ( 1.017 -10.160 4.694) 11.238 18.905 ( 4.762 17.794 7.615) 19.932 19.259 ( 5.382 -16.674 4.373) 18.059 20.018 ( 2.162 4.997 -9.695) 11.119 20.147 ( 2.742 -7.340 -11.363) 13.803 21.366 ( -8.839 13.516 -9.994) 18.991 21.605 ( -9.091 -10.587 -5.508) 15.002 22.004 ( 4.263 8.981 4.062) 10.739 22.151 ( 2.076 -5.244 1.174) 5.760 22.570 ( 0.870 2.686 4.204) 5.064 22.649 ( 1.364 -4.392 2.444) 5.208 24.334 ( 1.103 3.723 -0.069) 3.883 24.415 ( -0.140 -4.327 -1.285) 4.516 108.607 ( -0.016 1.401 0.845) 1.637 108.641 ( -0.370 -2.090 1.478) 2.587 109.555 ( 0.015 1.031 -0.640) 1.213 109.566 ( -0.218 0.090 -1.136) 1.160 109.715 ( 0.030 0.997 -0.609) 1.169 109.739 ( 0.512 -1.424 -0.907) 1.764 ======================= Grid point 154 (85/148) ======================= q-point: ( 0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -0.520 17.586 18.695) 25.672 2.040 ( 6.909 16.911 8.875) 20.310 2.226 ( -0.049 -16.023 14.127) 21.362 2.504 ( 2.689 -20.941 3.443) 21.392 3.393 ( 8.186 20.964 -5.204) 23.099 3.557 ( -0.210 8.727 -6.847) 11.095 3.752 ( 0.532 -8.905 -5.333) 10.393 3.853 ( 4.358 -13.767 -7.694) 16.362 4.269 ( 6.952 16.650 8.647) 20.008 4.597 ( 8.241 -15.986 9.780) 20.472 5.575 ( -8.790 6.491 -9.966) 14.789 5.658 ( -6.092 -1.891 -6.704) 9.254 6.144 ( -11.920 8.433 -0.290) 14.604 6.261 ( -11.949 -3.385 -0.652) 12.437 6.471 ( -7.787 6.015 3.145) 10.330 6.599 ( -7.841 -6.451 3.284) 10.672 7.886 ( 3.898 -0.902 -3.363) 5.227 7.906 ( 4.541 -2.648 -1.186) 5.389 8.453 ( 2.001 4.766 -1.504) 5.383 8.612 ( -5.060 -10.804 -0.827) 11.959 9.201 ( 5.153 2.435 0.981) 5.783 9.293 ( 6.530 -6.299 0.989) 9.127 9.960 ( 2.118 10.369 -3.838) 11.258 10.149 ( 3.639 -8.104 -2.724) 9.292 10.784 ( 3.704 7.760 0.410) 8.608 10.927 ( -2.946 -4.048 -0.030) 5.006 10.953 ( -6.888 12.694 0.406) 14.448 11.229 ( -8.495 -8.501 -0.803) 12.045 11.239 ( -4.534 0.299 -0.076) 4.544 11.378 ( -1.365 -8.759 1.523) 8.995 12.277 ( 2.056 10.380 -3.571) 11.167 12.433 ( 3.522 -5.211 -5.306) 8.229 12.723 ( -12.474 7.242 5.226) 15.341 12.844 ( -8.183 -4.958 5.274) 10.925 13.358 ( 5.011 -0.425 2.240) 5.505 13.397 ( 3.156 -3.985 4.329) 6.677 13.765 ( -10.270 1.569 1.164) 10.455 13.819 ( -10.304 -3.293 0.853) 10.851 14.518 ( 10.859 7.700 0.146) 13.313 14.707 ( 9.127 -11.157 0.523) 14.424 15.123 ( 3.683 4.307 1.695) 5.915 15.236 ( 5.082 -7.213 1.276) 8.915 16.184 ( 5.373 7.967 0.869) 9.649 16.287 ( 4.780 -2.670 2.630) 6.074 16.939 ( 6.070 11.703 -4.272) 13.858 17.107 ( 6.180 -4.642 -4.119) 8.758 17.451 ( 7.312 4.173 4.003) 9.323 17.576 ( 3.961 -8.874 5.583) 11.207 19.035 ( 6.540 16.613 7.687) 19.438 19.369 ( 4.259 -15.989 4.642) 17.185 20.054 ( 1.856 7.032 -11.299) 13.437 20.201 ( 3.217 -7.194 -12.647) 14.901 21.125 ( -12.082 14.336 -7.338) 20.133 21.382 ( -11.139 -11.623 -3.432) 16.461 22.069 ( 1.542 6.746 2.383) 7.318 22.156 ( -1.413 -2.403 1.697) 3.264 22.547 ( -3.018 3.557 4.002) 6.146 22.658 ( -1.228 -6.674 2.117) 7.109 24.401 ( 4.686 1.803 -0.455) 5.042 24.446 ( 2.926 -2.656 -1.419) 4.199 108.606 ( -0.093 1.144 0.693) 1.341 108.632 ( -0.471 -1.533 1.346) 2.094 109.550 ( -0.378 0.837 -0.594) 1.093 109.554 ( -0.782 0.698 -0.907) 1.386 109.725 ( 0.917 1.267 -0.500) 1.642 109.762 ( 1.470 -2.410 -1.141) 3.045 ======================= Grid point 155 (86/148) ======================= q-point: ( 0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 5.581 16.318 12.410) 21.247 2.230 ( 5.419 -16.128 8.573) 19.052 2.317 ( 11.592 11.119 14.416) 21.583 2.621 ( 7.490 -16.491 7.518) 19.611 3.481 ( 1.621 9.923 -8.239) 13.000 3.674 ( 7.912 0.771 -9.719) 12.556 3.736 ( 0.082 1.623 -6.219) 6.428 3.927 ( 4.131 -7.578 -10.930) 13.927 4.460 ( 9.349 16.114 11.349) 21.814 4.787 ( 7.957 -16.412 8.397) 20.079 5.374 ( -8.583 9.403 -5.754) 13.971 5.506 ( -7.331 -3.878 -3.665) 9.068 5.886 ( -11.448 5.820 -1.665) 12.950 5.969 ( -14.160 -2.177 -1.278) 14.383 6.276 ( -9.932 3.477 1.039) 10.574 6.376 ( -12.419 -6.156 2.459) 14.077 7.953 ( 2.518 4.532 -1.726) 5.464 8.036 ( 6.809 -2.939 -0.987) 7.482 8.488 ( -2.231 -1.688 -1.157) 3.028 8.529 ( 0.846 -5.245 -2.492) 5.868 9.304 ( 3.532 3.666 -0.755) 5.147 9.395 ( 2.295 -4.925 -1.660) 5.681 9.979 ( -0.303 11.070 -3.420) 11.590 10.185 ( -0.013 -9.281 -2.538) 9.622 10.655 ( -13.121 10.009 -1.168) 16.544 10.810 ( -12.509 -5.798 -0.866) 13.815 10.986 ( 9.612 5.942 3.047) 11.704 11.088 ( 0.894 -2.588 2.388) 3.633 11.250 ( 4.540 0.905 2.673) 5.345 11.390 ( 1.887 -12.001 2.278) 12.360 12.337 ( 2.725 10.188 -2.550) 10.850 12.450 ( -6.006 2.144 2.047) 6.698 12.544 ( 0.248 0.507 -1.246) 1.367 12.670 ( -6.526 -8.807 2.796) 11.312 13.391 ( -4.359 3.598 -0.171) 5.655 13.455 ( 1.082 -3.033 -2.676) 4.187 13.598 ( -6.095 -0.908 4.941) 7.898 13.643 ( -4.411 -5.378 7.055) 9.907 14.739 ( 9.293 5.991 -1.086) 11.110 14.872 ( 6.570 -7.353 -0.960) 9.907 15.238 ( 6.555 5.765 0.488) 8.743 15.369 ( 6.565 -7.562 0.176) 10.016 16.309 ( 6.347 8.234 1.205) 10.466 16.379 ( 4.047 1.540 3.652) 5.664 17.097 ( 8.289 7.459 -4.829) 12.152 17.243 ( 6.789 -6.041 -3.659) 9.797 17.643 ( 9.272 0.987 3.817) 10.075 17.697 ( 7.066 -5.252 6.029) 10.670 19.166 ( 4.694 13.609 7.133) 16.066 19.424 ( 0.270 -11.164 4.040) 11.875 20.067 ( 0.143 9.499 -11.908) 15.233 20.254 ( 2.703 -8.239 -14.532) 16.922 20.915 ( -6.054 12.023 -4.389) 14.159 21.164 ( -8.517 -12.951 -2.077) 15.639 22.072 ( -1.453 3.902 0.648) 4.214 22.108 ( -2.962 -0.705 2.450) 3.908 22.465 ( -4.765 5.470 4.721) 8.655 22.598 ( -4.409 -6.734 2.403) 8.400 24.496 ( 3.777 0.834 -0.603) 3.914 24.525 ( 4.525 -2.100 -1.020) 5.092 108.604 ( -0.168 0.928 0.400) 1.025 108.624 ( -0.360 -1.149 0.913) 1.511 109.536 ( -0.826 1.104 -0.596) 1.502 109.539 ( -0.604 0.609 -0.522) 1.004 109.749 ( 1.360 1.419 -0.391) 2.004 109.793 ( 1.538 -2.965 -1.256) 3.569 ======================= Grid point 156 (87/148) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 11.562 11.808 5.583) 17.444 2.351 ( 7.270 -16.112 5.338) 18.465 2.644 ( 16.316 8.491 13.264) 22.677 2.820 ( 10.471 -9.392 11.001) 17.857 3.470 ( -3.374 6.763 -4.862) 8.986 3.624 ( -5.725 -8.134 -3.536) 10.556 3.875 ( 6.835 9.281 -11.665) 16.399 4.017 ( 4.257 -4.560 -10.911) 12.569 4.615 ( 3.360 10.790 4.928) 12.329 4.848 ( -4.421 -11.822 -0.486) 12.631 5.281 ( 1.246 7.236 1.803) 7.561 5.391 ( -1.918 -3.232 0.454) 3.785 5.684 ( -8.049 4.032 0.281) 9.006 5.740 ( -6.361 -0.353 -0.205) 6.374 6.088 ( -7.630 -0.004 -3.332) 8.326 6.148 ( -7.240 -5.389 -0.102) 9.026 7.972 ( -1.064 7.674 -1.441) 7.881 8.127 ( -0.909 -7.394 -1.007) 7.517 8.419 ( -0.150 8.312 -1.736) 8.493 8.595 ( 3.804 -8.926 -0.863) 9.741 9.334 ( -0.106 2.810 -3.117) 4.198 9.392 ( -1.507 -2.673 -3.667) 4.781 9.946 ( -2.383 11.675 -1.737) 12.041 10.177 ( -0.732 -11.792 -0.994) 11.857 10.399 ( -9.473 9.021 -0.436) 13.088 10.573 ( -8.345 -8.339 -0.922) 11.833 11.073 ( -1.289 3.256 2.970) 4.592 11.145 ( 1.971 -2.231 3.509) 4.601 11.450 ( 11.886 0.631 3.484) 12.402 11.517 ( 10.255 -6.731 4.504) 13.067 12.292 ( -4.613 8.881 1.909) 10.188 12.380 ( -1.660 0.779 2.735) 3.293 12.589 ( 3.434 -0.804 -0.759) 3.607 12.645 ( 3.048 -6.833 -2.144) 7.784 13.239 ( -8.550 4.005 1.254) 9.525 13.339 ( -8.191 -5.986 -0.927) 10.188 13.580 ( 1.164 0.110 1.868) 2.203 13.616 ( 0.191 -3.900 4.682) 6.096 14.887 ( 4.842 4.319 -3.262) 7.262 14.978 ( 3.591 -4.764 -3.236) 6.787 15.372 ( 5.687 5.240 0.043) 7.733 15.486 ( 4.429 -6.504 -0.051) 7.869 16.430 ( 4.630 9.677 1.958) 10.904 16.480 ( 5.149 5.418 3.690) 8.336 17.251 ( 6.301 2.578 -3.292) 7.562 17.373 ( 5.493 -8.182 -1.673) 9.996 17.790 ( 4.296 2.054 2.742) 5.495 17.860 ( 6.484 -4.405 5.956) 9.845 19.221 ( -0.267 9.979 5.892) 11.592 19.378 ( -4.872 -4.015 2.683) 6.860 20.051 ( -0.207 9.723 -10.319) 14.180 20.281 ( 0.810 -10.866 -15.006) 18.545 20.882 ( 2.698 7.545 -4.168) 9.032 21.062 ( -0.415 -11.051 -1.518) 11.163 22.008 ( -4.043 2.829 -0.230) 4.940 22.050 ( -2.957 -1.248 1.791) 3.676 22.370 ( -4.251 6.468 5.869) 9.714 22.495 ( -5.082 -5.207 3.297) 7.988 24.555 ( 1.973 2.157 -0.227) 2.932 24.612 ( 3.463 -3.521 -0.095) 4.940 108.599 ( -0.275 0.875 0.151) 0.930 108.619 ( -0.260 -1.050 0.452) 1.173 109.520 ( -0.605 1.155 -0.410) 1.367 109.526 ( -0.575 0.480 -0.414) 0.856 109.777 ( 1.227 1.456 -0.325) 1.931 109.822 ( 1.232 -2.999 -1.237) 3.470 ======================= Grid point 157 (88/148) ======================= q-point: ( 0.44 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 12.049 8.825 1.602) 15.021 2.549 ( 10.567 -12.371 3.037) 16.551 2.931 ( 5.294 3.941 8.271) 10.581 3.034 ( 6.018 -5.783 10.068) 13.078 3.336 ( -5.085 8.614 0.870) 10.041 3.502 ( -3.503 -7.888 3.299) 9.240 3.965 ( 2.962 7.618 -11.298) 13.944 4.044 ( -0.763 0.360 -6.402) 6.458 4.611 ( -3.018 -0.469 -2.850) 4.177 4.671 ( -9.669 -5.341 -6.739) 12.940 5.352 ( 3.327 4.805 4.319) 7.267 5.428 ( 3.718 -1.605 2.513) 4.766 5.558 ( -3.233 5.228 0.805) 6.199 5.675 ( -1.273 -4.100 -1.103) 4.432 5.981 ( -1.541 2.639 -4.270) 5.251 6.097 ( 1.107 -7.636 -2.030) 7.978 7.923 ( -2.287 5.192 -1.816) 5.957 7.997 ( -7.032 -2.351 -2.891) 7.958 8.507 ( 5.838 8.896 -0.018) 10.641 8.677 ( 3.522 -8.062 1.364) 8.903 9.320 ( -0.617 2.046 -4.284) 4.787 9.360 ( -0.871 -2.032 -3.844) 4.435 9.892 ( -2.316 12.504 -1.446) 12.798 10.113 ( -3.598 -6.765 -1.548) 7.817 10.317 ( -0.176 1.512 1.143) 1.904 10.458 ( -2.833 -9.963 0.294) 10.363 11.048 ( -0.653 3.547 2.694) 4.502 11.150 ( -0.290 -5.851 3.182) 6.666 11.661 ( 5.884 2.872 3.564) 7.455 11.717 ( 5.935 -2.423 6.087) 8.840 12.232 ( -1.285 8.193 1.502) 8.428 12.352 ( -0.425 -3.867 2.206) 4.472 12.675 ( 4.336 0.554 -0.640) 4.418 12.733 ( 5.064 -5.112 -0.884) 7.249 13.087 ( -4.964 3.520 3.075) 6.818 13.194 ( -4.997 -7.110 0.929) 8.740 13.608 ( 2.068 0.862 2.289) 3.203 13.643 ( 1.922 -2.624 -1.054) 3.419 14.935 ( 0.079 3.657 -4.938) 6.145 15.011 ( -0.259 -3.831 -5.053) 6.347 15.463 ( 2.766 4.117 0.001) 4.959 15.553 ( 1.878 -5.253 -0.036) 5.579 16.504 ( 1.942 11.500 2.666) 11.964 16.567 ( 2.169 6.552 2.999) 7.525 17.348 ( 3.043 0.270 -2.269) 3.806 17.459 ( 2.531 -8.823 -0.216) 9.181 17.825 ( -1.120 3.962 1.888) 4.530 17.937 ( -0.107 -6.184 6.691) 9.112 19.165 ( -4.949 7.142 3.889) 9.519 19.246 ( -7.042 0.530 1.428) 7.205 20.051 ( 0.658 7.370 -8.491) 11.262 20.271 ( -0.349 -12.669 -13.442) 18.475 20.984 ( 6.547 7.196 -4.558) 10.743 21.141 ( 7.398 -9.213 -2.565) 12.090 21.922 ( -3.861 2.847 -0.389) 4.813 21.977 ( -4.047 -2.478 1.338) 4.930 22.312 ( -1.545 6.283 6.465) 9.147 22.414 ( -2.412 -3.490 4.157) 5.940 24.579 ( 0.249 3.591 0.233) 3.607 24.664 ( 1.342 -4.909 0.504) 5.114 108.594 ( -0.242 0.954 0.001) 0.984 108.615 ( -0.121 -1.147 0.197) 1.170 109.511 ( -0.203 1.063 -0.327) 1.131 109.517 ( -0.242 0.452 -0.340) 0.615 109.796 ( 0.568 1.469 -0.306) 1.604 109.840 ( 0.557 -2.881 -1.203) 3.171 ======================= Grid point 158 (89/148) ======================= q-point: (-0.44 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 4.065 9.640 1.620) 10.587 2.743 ( 4.314 -12.203 0.213) 12.945 2.809 ( -12.170 3.238 4.874) 13.503 2.886 ( -12.808 -4.699 5.962) 14.888 3.474 ( 10.105 4.273 8.182) 13.686 3.547 ( 5.851 -2.537 7.344) 9.727 3.952 ( -4.752 9.441 -11.187) 15.390 4.049 ( 2.879 0.870 -4.208) 5.173 4.445 ( -10.737 -2.296 -6.705) 12.865 4.526 ( -4.857 -9.056 -4.554) 11.240 5.421 ( 3.305 6.099 3.962) 7.989 5.521 ( 5.281 -3.161 5.483) 8.243 5.571 ( 4.371 4.097 -3.349) 6.864 5.634 ( -2.772 -0.530 -3.759) 4.700 6.002 ( 3.848 2.524 -3.564) 5.820 6.136 ( 2.207 -9.128 -1.346) 9.487 7.887 ( 0.443 6.537 -1.985) 6.846 7.988 ( 5.958 -3.523 -2.576) 7.386 8.576 ( -0.349 8.212 -0.040) 8.220 8.722 ( 0.080 -6.618 1.438) 6.773 9.312 ( 0.394 2.400 -4.199) 4.853 9.350 ( 0.126 -1.665 -3.096) 3.518 9.867 ( 0.588 11.938 -1.764) 12.081 10.100 ( 2.411 -8.408 -1.656) 8.902 10.307 ( -0.523 2.673 1.231) 2.989 10.460 ( 2.877 -9.945 0.004) 10.352 11.060 ( 1.407 3.982 2.506) 4.911 11.157 ( 0.411 -4.895 2.983) 5.747 11.640 ( -7.855 3.828 2.913) 9.211 11.729 ( -5.305 -4.656 5.082) 8.698 12.241 ( 2.029 8.389 1.278) 8.725 12.383 ( 3.274 -4.562 2.948) 6.342 12.786 ( 6.235 -1.381 -0.678) 6.422 12.816 ( 1.980 -4.322 -1.238) 4.912 13.067 ( 2.674 3.290 3.694) 5.623 13.149 ( 0.843 -4.581 2.102) 5.111 13.681 ( 3.853 0.841 -0.825) 4.029 13.709 ( 5.718 -2.155 2.854) 6.745 14.891 ( -3.603 2.482 -5.190) 6.788 14.957 ( -4.429 -4.025 -5.495) 8.124 15.479 ( -1.363 4.077 -0.009) 4.299 15.562 ( -1.071 -4.767 -0.110) 4.887 16.499 ( -2.931 11.317 2.306) 11.916 16.561 ( -3.030 6.832 2.622) 7.920 17.364 ( -1.699 1.404 -3.400) 4.052 17.475 ( -0.875 -7.907 0.819) 7.998 17.754 ( -5.475 2.716 1.390) 6.267 17.865 ( -6.956 -6.931 7.812) 12.548 19.052 ( -5.529 6.346 2.894) 8.900 19.118 ( -4.594 0.684 0.763) 4.707 20.048 ( -0.559 5.704 -8.322) 10.104 20.244 ( -1.391 -12.762 -12.241) 17.738 21.130 ( 7.544 10.541 -4.374) 13.681 21.333 ( 10.471 -10.130 -3.701) 15.032 21.857 ( -2.327 1.641 1.016) 3.024 21.895 ( -3.312 -2.140 2.040) 4.439 22.317 ( 1.380 6.134 5.844) 8.584 22.409 ( 1.514 -2.880 3.947) 5.115 24.567 ( -1.388 4.402 0.145) 4.618 24.668 ( -0.984 -5.720 0.526) 5.828 108.590 ( -0.041 1.087 -0.003) 1.088 108.615 ( 0.150 -1.358 0.209) 1.382 109.511 ( 0.258 1.021 -0.325) 1.102 109.516 ( 0.259 0.450 -0.337) 0.619 109.798 ( -0.369 1.466 -0.311) 1.544 109.841 ( -0.403 -2.770 -1.221) 3.054 ======================= Grid point 159 (90/148) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -13.218 6.487 5.119) 15.589 2.512 ( -6.496 2.046 1.535) 6.982 2.673 ( -8.632 -0.519 10.816) 13.848 2.803 ( -2.377 -10.129 6.113) 12.068 3.620 ( 4.364 2.906 -1.840) 5.556 3.693 ( 4.713 -3.531 1.076) 5.986 3.760 ( -11.598 15.019 -7.045) 20.241 4.061 ( -4.656 -13.092 -7.279) 15.686 4.236 ( -5.946 6.594 -1.266) 8.969 4.415 ( -5.824 -9.290 1.333) 11.046 5.499 ( 3.671 7.268 -0.046) 8.143 5.585 ( 1.340 1.065 -2.529) 3.053 5.689 ( 9.282 2.173 1.540) 9.656 5.738 ( 11.942 -1.208 -1.207) 12.063 6.142 ( 9.106 -0.846 -2.208) 9.408 6.214 ( 6.330 -6.866 -0.127) 9.340 7.945 ( 3.925 10.713 -1.216) 11.474 8.149 ( 7.091 -9.484 -1.163) 11.899 8.503 ( -5.102 8.050 -1.603) 9.664 8.654 ( -6.716 -6.890 -0.769) 9.652 9.330 ( 1.042 2.452 -2.381) 3.573 9.357 ( 0.506 -0.746 -2.363) 2.529 9.923 ( 4.629 10.022 -2.476) 11.314 10.150 ( 1.190 -12.876 -0.954) 12.966 10.383 ( 9.051 9.240 -0.469) 12.943 10.560 ( 6.459 -8.195 -0.770) 10.463 11.094 ( 0.903 3.775 2.354) 4.539 11.135 ( -3.842 0.781 2.726) 4.775 11.419 ( -10.707 1.957 1.978) 11.063 11.550 ( -9.734 -10.718 2.593) 14.708 12.310 ( 3.979 9.579 1.460) 10.475 12.477 ( 4.471 -4.088 3.347) 6.921 12.812 ( -1.373 0.485 -1.273) 1.934 12.912 ( 5.365 -7.753 -1.274) 9.514 13.169 ( 5.531 2.475 2.526) 6.565 13.214 ( 4.253 -1.210 1.548) 4.685 13.777 ( 5.889 5.131 0.872) 7.859 13.887 ( 9.939 -6.289 7.126) 13.752 14.781 ( -6.644 0.507 -4.403) 7.986 14.829 ( -6.721 -4.514 -3.806) 8.946 15.403 ( -5.758 5.048 0.013) 7.657 15.503 ( -4.553 -5.489 -0.092) 7.132 16.382 ( -8.089 10.361 1.762) 13.262 16.449 ( -7.431 5.008 2.143) 9.214 17.258 ( -7.598 7.421 -5.845) 12.123 17.423 ( -4.790 -8.666 -1.436) 10.005 17.614 ( -7.365 1.234 3.501) 8.248 17.701 ( -7.900 -7.228 8.307) 13.552 18.946 ( -4.703 8.730 3.168) 10.410 19.068 ( -0.376 -2.710 1.436) 3.090 20.015 ( -1.580 4.526 -8.766) 9.991 20.190 ( -2.672 -12.209 -11.796) 17.186 21.289 ( 7.853 14.397 -5.154) 17.190 21.553 ( 10.346 -12.027 -5.449) 16.774 21.820 ( -1.158 1.937 4.586) 5.111 21.868 ( 0.599 -3.000 2.495) 3.948 22.370 ( 2.959 6.678 5.044) 8.877 22.470 ( 3.560 -3.236 3.090) 5.718 24.521 ( -2.986 4.462 -0.459) 5.388 24.624 ( -3.135 -5.919 0.033) 6.698 108.592 ( 0.205 1.268 0.156) 1.294 108.622 ( 0.471 -1.697 0.454) 1.819 109.521 ( 0.672 1.038 -0.403) 1.300 109.526 ( 0.679 0.451 -0.413) 0.913 109.781 ( -1.192 1.386 -0.331) 1.857 109.821 ( -1.369 -2.576 -1.284) 3.187 ======================= Grid point 160 (91/148) ======================= q-point: (-0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -11.077 11.751 8.641) 18.316 2.424 ( -4.550 -0.213 8.371) 9.530 2.469 ( -11.160 1.114 11.273) 15.901 2.729 ( -3.867 -12.247 5.188) 13.851 3.436 ( -13.412 16.630 -3.160) 21.597 3.641 ( -8.667 -5.250 -10.383) 14.508 3.731 ( 2.036 1.727 -5.931) 6.504 3.936 ( -3.016 -16.033 -0.125) 16.314 4.177 ( -1.961 7.663 2.116) 8.188 4.321 ( -1.901 -5.646 2.729) 6.553 5.582 ( 4.804 6.249 -3.480) 8.616 5.668 ( 5.363 -1.372 -4.414) 7.080 5.925 ( 12.858 8.070 0.190) 15.182 6.045 ( 15.853 -3.659 0.010) 16.269 6.331 ( 8.673 0.906 0.684) 8.747 6.413 ( 11.036 -6.453 1.692) 12.896 8.006 ( 1.029 10.333 -1.150) 10.447 8.158 ( -6.911 -3.085 -2.181) 7.876 8.466 ( -2.979 -3.921 -0.135) 4.926 8.480 ( -2.046 -5.322 -2.397) 6.185 9.317 ( -2.523 1.551 0.667) 3.035 9.347 ( -1.935 -1.240 -1.898) 2.981 10.004 ( 1.532 8.506 -3.432) 9.300 10.167 ( 0.323 -7.575 -2.374) 7.945 10.625 ( 11.828 6.338 -0.634) 13.434 10.731 ( 9.467 -4.311 0.235) 10.406 10.974 ( -7.645 8.954 0.415) 11.781 11.119 ( 1.254 -2.625 0.689) 2.989 11.274 ( -2.951 0.245 1.172) 3.185 11.415 ( -2.891 -12.119 1.670) 12.571 12.384 ( 2.374 8.802 -0.017) 9.116 12.529 ( -0.622 -2.402 0.884) 2.634 12.797 ( 0.797 6.181 -0.053) 6.233 13.011 ( 4.173 -12.318 0.119) 13.006 13.254 ( 2.203 2.211 1.465) 3.447 13.304 ( 3.329 -1.497 2.119) 4.221 13.924 ( 7.210 7.618 3.120) 10.943 14.094 ( 8.023 -9.721 6.820) 14.331 14.606 ( -8.902 1.123 -1.360) 9.075 14.679 ( -8.249 -6.353 -1.802) 10.566 15.260 ( -6.815 5.468 0.612) 8.759 15.380 ( -6.783 -6.754 0.331) 9.577 16.188 ( -9.442 9.950 1.111) 13.762 16.279 ( -8.069 1.431 1.962) 8.427 17.080 ( -7.754 11.089 -6.619) 15.063 17.247 ( -10.538 -4.698 -3.971) 12.202 17.494 ( -4.831 -0.164 6.094) 7.778 17.573 ( -4.612 -8.222 6.182) 11.273 18.865 ( -3.040 13.157 4.646) 14.280 19.090 ( 2.033 -8.259 2.596) 8.893 19.984 ( -0.423 3.505 -8.651) 9.343 20.130 ( -1.670 -10.573 -11.386) 15.627 21.434 ( 5.735 16.107 -8.329) 19.018 21.725 ( 5.412 -12.060 -8.396) 15.660 21.830 ( 1.655 3.009 6.101) 7.001 21.923 ( 4.779 -4.872 5.220) 8.592 22.440 ( 3.253 7.220 4.903) 9.314 22.549 ( 3.480 -3.693 2.546) 5.677 24.444 ( -4.139 4.166 -0.915) 5.943 24.542 ( -4.386 -5.718 -0.617) 7.232 108.598 ( 0.314 1.461 0.437) 1.557 108.634 ( 0.546 -2.129 0.849) 2.356 109.537 ( 0.796 0.993 -0.539) 1.383 109.543 ( 0.927 0.433 -0.598) 1.185 109.752 ( -1.466 1.177 -0.388) 1.920 109.785 ( -1.876 -2.075 -1.279) 3.076 ======================= Grid point 161 (92/148) ======================= q-point: (-0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -9.368 15.944 14.905) 23.752 2.209 ( -11.684 19.625 7.828) 24.144 2.340 ( -5.505 -16.609 10.941) 20.637 2.643 ( -5.703 -18.650 3.877) 19.884 3.242 ( -4.470 22.492 4.607) 23.390 3.507 ( 0.010 -0.742 -7.174) 7.212 3.726 ( -1.236 -1.996 -7.961) 8.300 3.872 ( -3.890 -17.239 -1.792) 17.764 4.156 ( -0.105 9.886 1.525) 10.003 4.347 ( 3.356 -8.152 3.560) 9.507 5.681 ( 4.286 4.982 -6.624) 9.331 5.756 ( 2.678 -2.057 -7.323) 8.064 6.197 ( 11.576 11.098 0.722) 16.053 6.335 ( 9.993 -3.079 1.124) 10.517 6.492 ( 5.832 3.834 2.451) 7.397 6.609 ( 6.419 -6.840 2.592) 9.732 7.948 ( -5.787 1.163 -3.778) 7.008 7.972 ( -8.351 -1.966 -2.839) 9.037 8.370 ( -0.000 6.989 -0.040) 6.989 8.591 ( 6.177 -14.056 0.111) 15.354 9.231 ( -5.232 0.214 1.320) 5.400 9.266 ( -5.220 -2.820 0.706) 5.975 9.972 ( -2.971 8.322 -3.328) 9.442 10.125 ( -3.376 -6.727 -2.219) 7.847 10.758 ( -0.367 7.616 -0.944) 7.683 10.895 ( 5.778 -5.480 -0.892) 8.013 10.962 ( 6.130 13.008 -0.489) 14.388 11.218 ( 6.013 -8.603 -0.798) 10.526 11.268 ( 1.526 2.216 -0.573) 2.750 11.417 ( 3.336 -8.491 1.246) 9.208 12.395 ( -1.246 4.991 -3.199) 6.058 12.445 ( -6.377 1.222 -1.994) 6.792 12.854 ( 3.871 8.921 3.485) 10.330 13.060 ( -0.715 -7.436 2.892) 8.010 13.279 ( 0.332 -2.212 3.199) 3.904 13.335 ( -0.248 -3.641 3.888) 5.332 14.047 ( 3.386 6.531 0.887) 7.410 14.196 ( 0.696 -8.091 0.104) 8.121 14.423 ( -10.478 0.432 -1.113) 10.546 14.478 ( -6.306 -5.819 3.124) 9.132 15.153 ( -3.752 2.814 2.225) 5.191 15.247 ( -5.232 -6.626 1.730) 8.618 16.047 ( -2.767 10.109 0.590) 10.497 16.161 ( -2.388 -1.459 2.452) 3.721 16.949 ( -4.389 9.395 -4.407) 11.267 17.051 ( -6.362 -0.478 -3.169) 7.123 17.400 ( -3.976 2.394 3.772) 5.980 17.520 ( -1.220 -9.507 4.887) 10.759 18.841 ( 0.589 16.622 6.483) 17.851 19.155 ( 3.946 -13.621 3.632) 14.639 19.987 ( 1.276 3.599 -8.636) 9.443 20.114 ( 0.993 -8.513 -11.120) 14.039 21.481 ( -1.130 14.530 -10.498) 17.962 21.744 ( -2.974 -12.087 -7.945) 14.767 21.899 ( 4.597 8.328 6.462) 11.500 22.059 ( 6.345 -7.229 2.514) 9.942 22.514 ( 3.322 5.839 5.065) 8.413 22.612 ( 2.203 -3.725 2.465) 4.981 24.360 ( -3.202 4.146 -0.518) 5.264 24.455 ( -3.404 -5.297 -1.060) 6.385 108.604 ( 0.185 1.537 0.726) 1.709 108.642 ( 0.140 -2.370 1.254) 2.685 109.550 ( 0.487 1.038 -0.618) 1.303 109.561 ( 0.731 0.103 -0.958) 1.209 109.725 ( -0.934 0.953 -0.522) 1.433 109.748 ( -1.251 -1.341 -1.047) 2.112 ======================= Grid point 189 (93/148) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 1.422 0.000 9.373) 9.481 1.534 ( -7.568 0.000 18.149) 19.664 2.842 ( 14.542 0.000 22.945) 27.165 2.941 ( 4.795 0.000 -3.227) 5.779 3.212 ( -5.406 0.000 -11.261) 12.491 3.346 ( -13.974 0.000 4.822) 14.783 3.623 ( -2.733 0.000 8.653) 9.074 3.870 ( -0.197 0.000 2.417) 2.425 4.390 ( 2.633 0.000 -10.557) 10.880 4.725 ( -0.380 0.000 -0.081) 0.389 5.407 ( 0.753 0.000 0.474) 0.890 5.440 ( 1.226 0.000 -16.636) 16.681 5.696 ( 0.934 0.000 2.483) 2.653 6.333 ( -1.841 0.000 -2.023) 2.735 6.463 ( -1.939 0.000 2.463) 3.135 6.869 ( -0.181 0.000 0.757) 0.778 7.893 ( 2.257 0.000 -1.304) 2.606 8.035 ( -0.399 0.000 -3.795) 3.816 8.612 ( 0.831 0.000 -0.754) 1.122 9.257 ( 2.209 0.000 0.532) 2.272 9.434 ( -0.290 0.000 0.394) 0.490 9.475 ( 1.060 0.000 3.143) 3.317 9.589 ( -2.280 0.000 -1.891) 2.962 9.860 ( -2.622 0.000 -1.031) 2.817 10.471 ( 1.066 0.000 1.121) 1.547 10.824 ( 0.226 0.000 0.581) 0.624 10.847 ( -1.192 0.000 2.449) 2.724 11.519 ( 3.928 0.000 0.625) 3.978 11.562 ( 1.334 0.000 -1.369) 1.911 11.743 ( 1.197 0.000 -0.563) 1.323 11.962 ( -3.952 0.000 -1.598) 4.263 12.430 ( -0.898 0.000 -1.289) 1.571 12.444 ( -2.393 0.000 -0.512) 2.447 12.938 ( 0.072 0.000 0.192) 0.205 13.307 ( -0.273 0.000 0.237) 0.361 13.713 ( -7.461 0.000 -0.644) 7.489 13.962 ( -0.372 0.000 1.938) 1.973 14.288 ( -0.037 0.000 0.702) 0.703 14.351 ( -0.926 0.000 0.831) 1.245 14.568 ( -2.694 0.000 0.424) 2.727 15.493 ( 2.004 0.000 5.715) 6.056 15.602 ( -0.749 0.000 -1.944) 2.084 15.742 ( -0.604 0.000 -0.449) 0.752 16.313 ( 3.746 0.000 -1.451) 4.018 16.430 ( 9.479 0.000 -0.018) 9.479 16.470 ( -3.548 0.000 1.947) 4.048 17.227 ( -1.922 0.000 -0.786) 2.077 18.389 ( 3.643 0.000 10.763) 11.363 18.509 ( 1.851 0.000 -0.597) 1.945 18.880 ( -0.953 0.000 -7.980) 8.037 20.244 ( 3.170 0.000 4.537) 5.535 20.453 ( -3.819 0.000 -4.924) 6.231 20.552 ( -4.057 0.000 -7.860) 8.846 21.673 ( -4.927 0.000 12.285) 13.236 22.013 ( -0.288 0.000 7.995) 8.000 22.336 ( 0.337 0.000 3.493) 3.509 22.498 ( 8.351 0.000 -16.158) 18.189 22.574 ( 0.235 0.000 -3.858) 3.865 24.328 ( 1.915 0.000 4.133) 4.556 24.529 ( -2.569 0.000 -2.394) 3.512 108.573 ( 0.056 0.000 0.071) 0.090 108.808 ( -1.453 0.000 0.016) 1.453 109.432 ( 0.051 0.000 0.402) 0.405 109.488 ( -0.054 0.000 -0.801) 0.803 109.724 ( -0.471 0.000 0.802) 0.930 109.777 ( 1.739 0.000 -1.145) 2.082 ======================= Grid point 190 (94/148) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 15.031 0.000 6.533) 16.390 1.632 ( 11.885 0.000 22.949) 25.844 3.042 ( 2.246 0.000 -7.890) 8.203 3.064 ( -3.450 0.000 -9.198) 9.824 3.152 ( 3.316 0.000 -5.005) 6.004 3.344 ( 22.967 0.000 32.346) 39.671 3.590 ( -2.279 0.000 9.036) 9.319 3.887 ( 1.376 0.000 0.283) 1.404 4.474 ( 6.568 0.000 -9.454) 11.512 4.547 ( -15.146 0.000 0.195) 15.147 5.404 ( -1.519 0.000 -0.067) 1.520 5.421 ( -1.367 0.000 -15.985) 16.043 5.656 ( -4.474 0.000 1.657) 4.771 6.272 ( -3.604 0.000 -0.881) 3.710 6.360 ( -9.020 0.000 3.396) 9.638 6.796 ( -6.646 0.000 1.286) 6.770 7.899 ( -1.619 0.000 -3.501) 3.857 8.004 ( -1.772 0.000 -3.356) 3.795 8.621 ( 1.241 0.000 -1.444) 1.904 9.136 ( -12.483 0.000 -0.248) 12.486 9.420 ( -4.536 0.000 0.735) 4.595 9.483 ( 3.551 0.000 0.566) 3.596 9.550 ( -1.865 0.000 -0.067) 1.866 9.916 ( 5.326 0.000 0.551) 5.355 10.562 ( 7.582 0.000 0.631) 7.608 10.769 ( -3.813 0.000 0.661) 3.870 10.896 ( 5.232 0.000 3.116) 6.090 11.445 ( -10.099 0.000 -1.172) 10.166 11.586 ( 1.023 0.000 -2.094) 2.330 11.662 ( -6.051 0.000 -1.693) 6.283 12.014 ( 4.203 0.000 9.134) 10.055 12.291 ( -2.322 0.000 -5.760) 6.210 12.418 ( -0.068 0.000 -0.604) 0.608 13.117 ( 6.930 0.000 2.132) 7.251 13.259 ( -4.342 0.000 0.393) 4.360 13.768 ( 8.462 0.000 4.032) 9.374 13.827 ( -9.606 0.000 1.459) 9.717 14.300 ( 3.241 0.000 0.999) 3.392 14.450 ( 7.444 0.000 2.015) 7.712 14.591 ( 5.380 0.000 2.217) 5.819 15.521 ( -6.117 0.000 -1.294) 6.253 15.529 ( 1.150 0.000 3.507) 3.691 15.822 ( 5.246 0.000 1.662) 5.503 16.167 ( -7.540 0.000 -1.162) 7.629 16.402 ( -5.063 0.000 -12.481) 13.469 16.747 ( 18.672 0.000 1.443) 18.727 17.392 ( 13.653 0.000 1.103) 13.698 18.494 ( 5.166 0.000 10.509) 11.710 18.534 ( 0.707 0.000 -1.102) 1.309 18.892 ( 3.112 0.000 -9.139) 9.655 20.298 ( 1.327 0.000 5.207) 5.373 20.364 ( -3.163 0.000 -1.308) 3.423 20.440 ( -5.721 0.000 -8.422) 10.181 21.600 ( -3.167 0.000 10.812) 11.266 22.016 ( -0.080 0.000 7.600) 7.601 22.318 ( -2.523 0.000 3.571) 4.372 22.543 ( -2.798 0.000 -3.485) 4.469 22.570 ( -0.380 0.000 -17.645) 17.649 24.434 ( 7.508 0.000 2.706) 7.981 24.512 ( 0.734 0.000 -1.499) 1.670 108.573 ( -0.054 0.000 -0.069) 0.088 108.765 ( -2.341 0.000 1.592) 2.831 109.433 ( 0.009 0.000 0.354) 0.355 109.483 ( -0.370 0.000 -0.734) 0.822 109.728 ( 0.779 0.000 0.745) 1.078 109.825 ( 2.525 0.000 -2.592) 3.619 ======================= Grid point 191 (95/148) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 22.512 0.000 3.238) 22.744 1.908 ( 10.217 0.000 23.536) 25.658 3.036 ( 0.118 0.000 -10.075) 10.076 3.049 ( 3.786 0.000 -10.130) 10.815 3.312 ( 8.932 0.000 -0.635) 8.954 3.541 ( -2.535 0.000 9.189) 9.532 3.878 ( 8.138 0.000 -2.742) 8.588 3.971 ( 19.758 0.000 23.511) 30.710 4.166 ( -19.414 0.000 0.621) 19.424 4.678 ( 14.215 0.000 -5.283) 15.165 5.333 ( -4.859 0.000 -0.469) 4.881 5.384 ( -0.471 0.000 -13.691) 13.699 5.538 ( -6.433 0.000 1.161) 6.537 6.072 ( -17.988 0.000 3.169) 18.265 6.201 ( -2.551 0.000 0.045) 2.552 6.618 ( -9.338 0.000 1.804) 9.511 7.811 ( -6.253 0.000 -5.070) 8.050 7.973 ( -0.834 0.000 -3.339) 3.441 8.690 ( 5.215 0.000 -1.583) 5.450 8.817 ( -17.373 0.000 -0.672) 17.386 9.317 ( -5.193 0.000 -2.351) 5.700 9.479 ( -4.431 0.000 0.417) 4.451 9.536 ( 1.074 0.000 0.711) 1.288 10.005 ( 2.947 0.000 0.126) 2.950 10.761 ( 3.825 0.000 2.118) 4.372 10.777 ( 11.997 0.000 0.920) 12.032 11.046 ( 8.131 0.000 3.201) 8.739 11.108 ( -18.877 0.000 -0.005) 18.877 11.600 ( 0.501 0.000 -2.173) 2.230 11.635 ( 1.635 0.000 -1.447) 2.183 12.080 ( 4.136 0.000 8.776) 9.702 12.356 ( 4.362 0.000 -1.373) 4.573 12.430 ( 1.227 0.000 -0.321) 1.268 13.125 ( -8.430 0.000 0.369) 8.439 13.173 ( 0.306 0.000 3.079) 3.094 13.638 ( -7.729 0.000 0.844) 7.775 13.840 ( -1.778 0.000 2.069) 2.727 14.432 ( 5.820 0.000 5.046) 7.702 14.602 ( 6.264 0.000 2.657) 6.804 14.793 ( 11.367 0.000 3.004) 11.757 15.384 ( -5.997 0.000 -1.137) 6.104 15.539 ( -1.769 0.000 2.925) 3.418 15.842 ( -1.026 0.000 -1.875) 2.137 16.046 ( -4.265 0.000 -0.944) 4.368 16.451 ( 11.033 0.000 -20.227) 23.041 17.145 ( 18.235 0.000 1.456) 18.293 17.679 ( 12.385 0.000 2.475) 12.630 18.555 ( 1.712 0.000 -0.053) 1.713 18.610 ( 4.959 0.000 9.852) 11.029 18.985 ( 5.573 0.000 -7.210) 9.113 20.282 ( -3.952 0.000 -5.390) 6.683 20.337 ( -2.081 0.000 -0.017) 2.081 20.349 ( 1.884 0.000 -0.291) 1.907 21.546 ( -2.779 0.000 5.518) 6.179 22.024 ( 0.384 0.000 6.787) 6.798 22.237 ( -5.167 0.000 3.233) 6.095 22.458 ( -4.876 0.000 -2.470) 5.466 22.477 ( -6.379 0.000 -12.877) 14.370 24.537 ( 1.333 0.000 -0.645) 1.481 24.615 ( 8.858 0.000 1.283) 8.950 108.572 ( -0.054 0.000 -0.307) 0.311 108.721 ( -1.953 0.000 1.853) 2.693 109.434 ( -0.005 0.000 0.278) 0.278 109.473 ( -0.546 0.000 -0.631) 0.835 109.755 ( 1.496 0.000 0.966) 1.780 109.869 ( 1.807 0.000 -3.206) 3.680 ======================= Grid point 192 (96/148) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 4.920 0.000 13.879) 14.726 2.297 ( 24.955 0.000 0.585) 24.961 3.035 ( -0.348 0.000 -6.941) 6.950 3.160 ( 5.660 0.000 -4.028) 6.947 3.443 ( 0.759 0.000 -1.300) 1.505 3.512 ( -0.891 0.000 8.737) 8.783 3.817 ( -10.843 0.000 0.929) 10.883 3.900 ( 0.061 0.000 -3.192) 3.192 4.432 ( 16.880 0.000 10.608) 19.937 5.045 ( 17.129 0.000 3.201) 17.426 5.234 ( -3.582 0.000 0.206) 3.587 5.387 ( 2.337 0.000 -12.553) 12.768 5.393 ( -7.253 0.000 -0.277) 7.258 5.674 ( -18.373 0.000 2.766) 18.580 6.180 ( 0.520 0.000 1.260) 1.363 6.459 ( -4.746 0.000 1.601) 5.009 7.666 ( -5.689 0.000 -4.448) 7.222 7.961 ( -0.134 0.000 -3.654) 3.657 8.400 ( -21.793 0.000 -1.450) 21.841 8.807 ( 5.246 0.000 -1.322) 5.411 9.212 ( -3.843 0.000 -4.441) 5.873 9.408 ( -1.821 0.000 -0.110) 1.825 9.538 ( -0.504 0.000 0.726) 0.884 10.059 ( 2.151 0.000 0.378) 2.184 10.683 ( -16.006 0.000 0.485) 16.013 10.932 ( 6.050 0.000 1.189) 6.166 11.023 ( 10.347 0.000 1.899) 10.520 11.214 ( 6.784 0.000 2.882) 7.371 11.612 ( 1.284 0.000 -1.872) 2.270 11.699 ( 4.969 0.000 -1.564) 5.209 12.187 ( 2.089 0.000 11.954) 12.135 12.420 ( 4.009 0.000 2.922) 4.961 12.465 ( 1.904 0.000 -0.517) 1.973 12.923 ( -9.959 0.000 0.278) 9.963 13.183 ( 0.086 0.000 -3.062) 3.064 13.516 ( -4.022 0.000 0.377) 4.040 13.797 ( -0.082 0.000 2.728) 2.729 14.451 ( -5.712 0.000 7.429) 9.371 14.705 ( 3.294 0.000 2.426) 4.091 14.977 ( 5.788 0.000 1.052) 5.883 15.289 ( -2.691 0.000 -1.376) 3.022 15.470 ( -2.342 0.000 -0.236) 2.354 15.901 ( 5.495 0.000 -3.534) 6.533 15.977 ( -2.343 0.000 -0.856) 2.494 16.683 ( 9.963 0.000 -19.019) 21.470 17.487 ( 13.815 0.000 1.239) 13.871 17.894 ( 7.730 0.000 3.561) 8.510 18.607 ( 2.869 0.000 0.747) 2.965 18.708 ( 3.202 0.000 9.848) 10.355 19.065 ( 1.138 0.000 -2.073) 2.365 20.207 ( -0.946 0.000 -9.947) 9.992 20.310 ( -0.986 0.000 -0.505) 1.108 20.427 ( 4.790 0.000 -0.694) 4.840 21.492 ( -2.370 0.000 -0.836) 2.513 22.046 ( 1.283 0.000 5.714) 5.857 22.128 ( -4.876 0.000 3.586) 6.053 22.320 ( -7.069 0.000 -7.024) 9.965 22.344 ( -5.646 0.000 -0.825) 5.706 24.555 ( 0.212 0.000 0.973) 0.996 24.783 ( 6.709 0.000 0.522) 6.729 108.569 ( -0.198 0.000 -0.368) 0.419 108.689 ( -1.171 0.000 1.243) 1.708 109.434 ( 0.011 0.000 0.220) 0.220 109.461 ( -0.488 0.000 -0.553) 0.738 109.786 ( 1.319 0.000 1.254) 1.820 109.896 ( 1.069 0.000 -3.129) 3.306 ======================= Grid point 193 (97/148) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 4.460 0.000 2.780) 5.256 2.798 ( 20.469 0.000 -1.834) 20.551 2.962 ( -6.805 0.000 -1.513) 6.971 3.234 ( 0.778 0.000 2.133) 2.270 3.308 ( -8.344 0.000 -2.238) 8.639 3.515 ( 0.672 0.000 7.834) 7.863 3.760 ( 1.375 0.000 -0.778) 1.580 3.894 ( -0.856 0.000 -0.097) 0.861 4.717 ( 10.147 0.000 4.033) 10.919 5.168 ( -4.683 0.000 -0.024) 4.683 5.195 ( -2.285 0.000 2.452) 3.352 5.281 ( 0.152 0.000 -2.591) 2.595 5.368 ( -9.910 0.000 2.029) 10.115 5.517 ( 7.372 0.000 -7.083) 10.223 6.216 ( 2.429 0.000 2.810) 3.714 6.441 ( 2.075 0.000 -0.445) 2.122 7.620 ( 1.357 0.000 -1.790) 2.246 7.960 ( 0.355 0.000 -4.070) 4.086 7.971 ( -15.432 0.000 -2.547) 15.641 8.883 ( 1.711 0.000 -0.879) 1.924 9.165 ( -0.881 0.000 -3.598) 3.705 9.391 ( -0.037 0.000 -1.417) 1.417 9.530 ( -0.084 0.000 0.488) 0.495 10.078 ( -0.571 0.000 0.879) 1.048 10.428 ( -6.168 0.000 -0.886) 6.231 11.033 ( 2.426 0.000 0.432) 2.464 11.192 ( 5.404 0.000 2.426) 5.923 11.287 ( -0.414 0.000 3.011) 3.039 11.657 ( 1.978 0.000 -1.097) 2.262 11.793 ( 0.405 0.000 -0.342) 0.530 12.187 ( 1.920 0.000 15.218) 15.339 12.494 ( 0.800 0.000 -0.999) 1.280 12.584 ( 9.682 0.000 2.264) 9.944 12.759 ( -4.339 0.000 0.012) 4.339 13.128 ( -4.604 0.000 -10.211) 11.201 13.464 ( -1.016 0.000 0.004) 1.016 13.911 ( 10.581 0.000 6.550) 12.444 14.226 ( -14.349 0.000 5.568) 15.392 14.749 ( 1.019 0.000 1.820) 2.086 15.055 ( 1.912 0.000 -2.066) 2.815 15.266 ( 0.279 0.000 -2.019) 2.038 15.463 ( 0.501 0.000 -0.659) 0.828 15.944 ( -0.737 0.000 -0.825) 1.107 15.990 ( 2.080 0.000 -1.258) 2.431 16.789 ( 1.274 0.000 -16.307) 16.357 17.712 ( 7.139 0.000 -0.100) 7.140 18.008 ( 2.905 0.000 3.680) 4.689 18.654 ( 1.111 0.000 0.944) 1.458 18.751 ( 0.185 0.000 10.550) 10.552 19.003 ( -6.839 0.000 4.823) 8.368 20.221 ( 1.011 0.000 -4.635) 4.744 20.319 ( 3.735 0.000 -11.719) 12.300 20.509 ( 2.145 0.000 -0.616) 2.232 21.466 ( 0.879 0.000 -5.841) 5.906 22.055 ( -2.212 0.000 3.673) 4.288 22.091 ( 2.683 0.000 4.239) 5.017 22.195 ( -4.048 0.000 -2.488) 4.751 22.230 ( -5.012 0.000 1.483) 5.227 24.546 ( -1.154 0.000 2.602) 2.847 24.889 ( 3.227 0.000 -0.074) 3.227 108.563 ( -0.269 0.000 -0.222) 0.349 108.675 ( -0.176 0.000 0.608) 0.633 109.434 ( -0.084 0.000 0.226) 0.241 109.454 ( -0.082 0.000 -0.556) 0.562 109.808 ( 0.549 0.000 1.407) 1.510 109.908 ( 0.298 0.000 -2.946) 2.961 ======================= Grid point 194 (98/148) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 5.910 0.000 -1.818) 6.183 2.635 ( -20.043 0.000 3.651) 20.373 3.085 ( 0.094 0.000 -7.775) 7.776 3.179 ( -6.068 0.000 5.457) 8.161 3.327 ( 13.049 0.000 -0.649) 13.065 3.563 ( 3.176 0.000 4.286) 5.334 3.776 ( 0.394 0.000 -1.392) 1.447 3.841 ( -4.742 0.000 2.646) 5.430 4.835 ( -1.396 0.000 0.424) 1.459 4.994 ( -9.066 0.000 3.517) 9.724 5.158 ( -0.563 0.000 2.418) 2.482 5.242 ( 0.250 0.000 0.678) 0.723 5.451 ( 12.809 0.000 -1.537) 12.901 5.555 ( -2.815 0.000 -6.730) 7.295 6.280 ( 3.680 0.000 1.863) 4.125 6.475 ( 0.224 0.000 -2.693) 2.702 7.562 ( -4.975 0.000 -0.451) 4.996 7.969 ( 0.751 0.000 -4.410) 4.473 7.993 ( 15.851 0.000 -2.607) 16.064 8.871 ( -2.768 0.000 -0.369) 2.792 9.126 ( -2.611 0.000 -1.885) 3.221 9.412 ( 2.192 0.000 -2.354) 3.217 9.540 ( 0.920 0.000 0.106) 0.926 10.071 ( 0.283 0.000 1.132) 1.167 10.442 ( 7.387 0.000 -1.617) 7.562 11.032 ( -2.559 0.000 0.576) 2.623 11.186 ( -6.656 0.000 2.538) 7.123 11.286 ( 0.687 0.000 3.219) 3.292 11.629 ( -4.450 0.000 -0.111) 4.451 11.681 ( -8.076 0.000 4.968) 9.482 12.313 ( 4.239 0.000 7.489) 8.606 12.511 ( 0.884 0.000 -1.637) 1.860 12.767 ( 4.939 0.000 -0.298) 4.948 12.789 ( 9.962 0.000 4.024) 10.744 13.024 ( -3.605 0.000 -14.600) 15.038 13.470 ( 1.596 0.000 -0.229) 1.612 13.936 ( -11.764 0.000 3.001) 12.141 14.222 ( 17.812 0.000 10.235) 20.543 14.761 ( -0.013 0.000 1.356) 1.356 15.055 ( -1.794 0.000 -2.778) 3.307 15.285 ( 1.570 0.000 -2.849) 3.253 15.444 ( -2.890 0.000 -0.639) 2.960 15.944 ( 0.718 0.000 -0.762) 1.047 15.964 ( -4.700 0.000 -0.573) 4.735 16.715 ( -6.976 0.000 -12.800) 14.577 17.760 ( -3.050 0.000 -2.215) 3.769 18.021 ( -2.029 0.000 3.090) 3.696 18.642 ( -2.398 0.000 0.957) 2.582 18.715 ( -6.612 0.000 16.187) 17.485 18.862 ( -3.324 0.000 4.372) 5.492 20.207 ( -1.497 0.000 -4.197) 4.456 20.439 ( 7.135 0.000 -14.330) 16.008 20.503 ( -2.092 0.000 -0.648) 2.190 21.540 ( 6.610 0.000 -8.231) 10.556 22.031 ( -0.843 0.000 4.398) 4.478 22.122 ( -2.797 0.000 3.095) 4.172 22.156 ( 0.483 0.000 -0.855) 0.982 22.189 ( 3.854 0.000 3.064) 4.923 24.513 ( -2.249 0.000 3.644) 4.282 24.917 ( -0.469 0.000 -0.883) 1.000 108.559 ( -0.112 0.000 -0.066) 0.129 108.683 ( 0.936 0.000 0.294) 0.981 109.431 ( -0.158 0.000 0.233) 0.281 109.457 ( 0.391 0.000 -0.580) 0.699 109.811 ( -0.349 0.000 1.492) 1.532 109.902 ( -0.755 0.000 -2.898) 2.995 ======================= Grid point 195 (99/148) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -23.844 0.000 5.360) 24.439 2.393 ( 3.491 0.000 3.463) 4.917 3.006 ( -10.897 0.000 0.726) 10.922 3.020 ( -4.103 0.000 -7.299) 8.373 3.537 ( 2.929 0.000 -3.615) 4.653 3.576 ( -5.754 0.000 6.194) 8.454 3.755 ( 0.437 0.000 1.955) 2.003 3.865 ( 11.216 0.000 -0.941) 11.256 4.629 ( -13.386 0.000 0.395) 13.392 4.835 ( -10.772 0.000 7.789) 13.293 5.177 ( 2.873 0.000 1.803) 3.392 5.346 ( 7.337 0.000 1.978) 7.599 5.449 ( -4.898 0.000 -10.275) 11.382 5.790 ( 18.702 0.000 -1.631) 18.773 6.358 ( 1.998 0.000 -2.974) 3.583 6.487 ( 3.892 0.000 -0.953) 4.007 7.548 ( 3.480 0.000 -1.020) 3.626 7.982 ( 0.860 0.000 -4.517) 4.598 8.412 ( 21.381 0.000 -1.362) 21.424 8.776 ( -5.817 0.000 -0.035) 5.818 9.106 ( 2.192 0.000 0.195) 2.201 9.462 ( 2.599 0.000 -2.364) 3.514 9.561 ( 0.819 0.000 -0.170) 0.836 10.070 ( -0.585 0.000 -0.031) 0.586 10.718 ( 17.608 0.000 -1.437) 17.667 10.924 ( -7.454 0.000 1.825) 7.674 10.983 ( -12.282 0.000 3.188) 12.689 11.243 ( -5.168 0.000 2.195) 5.615 11.542 ( -2.535 0.000 0.552) 2.594 11.555 ( -3.554 0.000 4.392) 5.650 12.279 ( -6.327 0.000 2.855) 6.941 12.511 ( -0.773 0.000 -2.272) 2.399 12.901 ( -8.835 0.000 -12.819) 15.568 12.935 ( 9.904 0.000 -0.172) 9.905 13.024 ( 11.119 0.000 4.522) 12.003 13.532 ( 4.326 0.000 -0.233) 4.332 13.803 ( -0.460 0.000 -0.060) 0.464 14.650 ( 19.503 0.000 7.226) 20.799 14.742 ( -2.294 0.000 0.990) 2.498 14.995 ( -1.154 0.000 1.888) 2.213 15.330 ( 3.216 0.000 -3.196) 4.534 15.330 ( -8.123 0.000 -0.410) 8.133 15.793 ( -11.089 0.000 -1.585) 11.202 15.972 ( 2.001 0.000 -0.545) 2.074 16.485 ( -13.746 0.000 -8.710) 16.274 17.574 ( -14.063 0.000 -2.145) 14.225 17.927 ( -7.191 0.000 2.095) 7.490 18.533 ( -9.444 0.000 15.576) 18.216 18.565 ( -4.530 0.000 1.188) 4.683 18.883 ( 2.824 0.000 4.022) 4.915 20.165 ( -1.800 0.000 -5.385) 5.678 20.460 ( -1.135 0.000 -1.841) 2.163 20.559 ( 4.890 0.000 -11.049) 12.083 21.708 ( 9.195 0.000 -9.655) 13.333 22.019 ( -0.551 0.000 6.659) 6.682 22.064 ( -2.480 0.000 5.472) 6.008 22.199 ( 3.068 0.000 -0.597) 3.125 22.307 ( 6.395 0.000 0.261) 6.401 24.460 ( -3.034 0.000 3.889) 4.932 24.870 ( -3.791 0.000 -1.997) 4.285 108.559 ( 0.111 0.000 0.019) 0.112 108.716 ( 2.095 0.000 0.120) 2.098 109.429 ( -0.052 0.000 0.276) 0.281 109.467 ( 0.575 0.000 -0.651) 0.868 109.797 ( -1.060 0.000 1.583) 1.905 109.871 ( -1.975 0.000 -2.842) 3.461 ======================= Grid point 196 (100/148) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -21.560 0.000 7.253) 22.748 2.369 ( -10.526 0.000 19.907) 22.519 2.705 ( -13.628 0.000 -9.967) 16.884 2.928 ( -3.446 0.000 -6.338) 7.214 3.464 ( -2.107 0.000 15.505) 15.648 3.488 ( -5.119 0.000 -7.099) 8.752 3.820 ( 3.415 0.000 -4.126) 5.355 4.200 ( 18.373 0.000 -0.453) 18.379 4.345 ( -16.345 0.000 10.592) 19.477 4.537 ( -13.710 0.000 -4.841) 14.540 5.273 ( 5.358 0.000 1.658) 5.608 5.382 ( -0.326 0.000 -12.227) 12.232 5.499 ( 6.647 0.000 2.775) 7.203 6.179 ( 16.814 0.000 -0.950) 16.841 6.359 ( -0.260 0.000 -4.880) 4.887 6.642 ( 8.861 0.000 0.197) 8.863 7.667 ( 6.977 0.000 -0.244) 6.981 7.998 ( 1.052 0.000 -4.352) 4.477 8.653 ( -5.135 0.000 -0.020) 5.135 8.809 ( 15.785 0.000 -0.657) 15.799 9.235 ( 8.813 0.000 1.943) 9.025 9.522 ( 3.238 0.000 -1.614) 3.618 9.559 ( -1.392 0.000 -0.189) 1.405 10.057 ( -0.690 0.000 -1.784) 1.913 10.716 ( -12.212 0.000 3.097) 12.599 10.766 ( -5.727 0.000 1.956) 6.051 11.099 ( -8.043 0.000 1.479) 8.178 11.109 ( 17.775 0.000 -0.466) 17.781 11.522 ( 0.107 0.000 0.602) 0.612 11.530 ( 0.555 0.000 3.015) 3.066 12.150 ( -4.169 0.000 1.536) 4.443 12.484 ( -1.356 0.000 -2.422) 2.775 12.636 ( -14.314 0.000 -8.858) 16.833 13.136 ( 8.435 0.000 -0.087) 8.435 13.195 ( 3.397 0.000 2.881) 4.454 13.656 ( 7.575 0.000 0.135) 7.576 13.880 ( 6.307 0.000 -2.095) 6.645 14.652 ( -6.452 0.000 0.736) 6.494 14.695 ( -10.361 0.000 -6.872) 12.433 15.056 ( -17.971 0.000 -5.923) 18.922 15.354 ( 27.168 0.000 18.299) 32.756 15.423 ( 5.814 0.000 -2.937) 6.513 15.563 ( -7.481 0.000 -0.234) 7.485 16.028 ( 3.505 0.000 -0.089) 3.506 16.162 ( -15.286 0.000 -4.578) 15.957 17.205 ( -19.886 0.000 -0.499) 19.892 17.721 ( -12.338 0.000 0.653) 12.355 18.387 ( -5.178 0.000 12.698) 13.713 18.485 ( -2.551 0.000 1.594) 3.008 18.933 ( 1.027 0.000 0.748) 1.270 20.141 ( 0.195 0.000 -3.018) 3.024 20.464 ( 1.575 0.000 -4.100) 4.393 20.620 ( 1.681 0.000 -8.371) 8.538 21.838 ( 1.421 0.000 -4.524) 4.742 22.029 ( -1.344 0.000 6.973) 7.101 22.068 ( 6.875 0.000 2.172) 7.210 22.264 ( 2.839 0.000 1.004) 3.012 22.439 ( 5.890 0.000 -2.035) 6.232 24.395 ( -3.326 0.000 3.686) 4.965 24.761 ( -6.139 0.000 -3.087) 6.872 108.563 ( 0.279 0.000 0.050) 0.284 108.767 ( 2.646 0.000 -0.327) 2.666 109.429 ( 0.046 0.000 0.344) 0.347 109.478 ( 0.524 0.000 -0.742) 0.908 109.772 ( -1.371 0.000 1.582) 2.094 109.818 ( -2.680 0.000 -2.281) 3.519 ======================= Grid point 197 (101/148) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -13.150 0.000 9.260) 16.083 1.916 ( -26.440 0.000 13.856) 29.851 2.632 ( 3.941 0.000 14.320) 14.852 2.888 ( 0.394 0.000 -4.624) 4.640 3.352 ( -6.641 0.000 -10.175) 12.150 3.484 ( 0.512 0.000 12.168) 12.178 3.830 ( -6.813 0.000 -8.973) 11.266 3.935 ( -15.213 0.000 15.150) 21.469 4.383 ( -1.843 0.000 -9.975) 10.144 4.562 ( 14.391 0.000 -0.202) 14.392 5.370 ( 3.179 0.000 1.084) 3.358 5.403 ( 2.732 0.000 -14.207) 14.467 5.624 ( 4.970 0.000 3.093) 5.854 6.353 ( -0.118 0.000 -3.751) 3.752 6.429 ( 6.228 0.000 0.644) 6.261 6.806 ( 5.863 0.000 0.480) 5.883 7.808 ( 5.775 0.000 -0.204) 5.779 8.023 ( 1.499 0.000 -4.149) 4.412 8.592 ( -0.268 0.000 -0.234) 0.356 9.092 ( 11.543 0.000 0.859) 11.575 9.400 ( 5.679 0.000 1.947) 6.003 9.496 ( -4.200 0.000 0.091) 4.201 9.583 ( 2.310 0.000 -1.091) 2.554 9.993 ( -6.182 0.000 -2.430) 6.642 10.520 ( -6.045 0.000 2.222) 6.440 10.754 ( 4.140 0.000 1.229) 4.319 10.936 ( -6.827 0.000 1.691) 7.034 11.378 ( 7.423 0.000 1.846) 7.649 11.536 ( 1.080 0.000 -0.282) 1.116 11.621 ( 8.429 0.000 -0.042) 8.429 12.111 ( -3.921 0.000 1.930) 4.370 12.384 ( -3.807 0.000 -6.322) 7.380 12.455 ( -1.251 0.000 -2.023) 2.378 13.137 ( -9.186 0.000 1.326) 9.281 13.269 ( 4.033 0.000 0.018) 4.033 13.839 ( 9.059 0.000 0.951) 9.109 13.954 ( -4.509 0.000 -5.473) 7.091 14.372 ( -14.296 0.000 -3.590) 14.740 14.484 ( -8.873 0.000 0.745) 8.904 14.702 ( -10.953 0.000 -2.233) 11.179 15.465 ( -0.660 0.000 5.582) 5.621 15.548 ( 5.424 0.000 -2.596) 6.013 15.861 ( -7.591 0.000 2.028) 7.857 16.006 ( 24.567 0.000 5.045) 25.080 16.133 ( 7.050 0.000 0.349) 7.059 16.783 ( -19.262 0.000 0.232) 19.263 17.434 ( -13.966 0.000 -0.679) 13.982 18.341 ( -0.230 0.000 11.138) 11.141 18.472 ( 1.045 0.000 1.051) 1.482 18.921 ( -1.738 0.000 -4.274) 4.614 20.174 ( 2.811 0.000 1.352) 3.119 20.492 ( 0.612 0.000 -6.236) 6.266 20.616 ( -1.394 0.000 -7.454) 7.583 21.780 ( -5.326 0.000 7.164) 8.926 22.016 ( -0.602 0.000 7.806) 7.830 22.275 ( 10.402 0.000 -9.492) 14.082 22.318 ( 3.141 0.000 3.164) 4.459 22.538 ( 3.484 0.000 -3.433) 4.891 24.335 ( -2.273 0.000 3.814) 4.440 24.625 ( -6.010 0.000 -3.229) 6.822 108.569 ( 0.273 0.000 0.075) 0.283 108.812 ( 1.243 0.000 -0.881) 1.524 109.431 ( 0.077 0.000 0.396) 0.403 109.487 ( 0.285 0.000 -0.803) 0.852 109.744 ( -1.319 0.000 1.184) 1.773 109.770 ( -1.174 0.000 -1.016) 1.552 ======================= Grid point 198 (102/148) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.270 25.289 10.177) 27.261 1.623 ( -5.103 9.055 16.491) 19.494 2.661 ( 6.506 -8.843 13.972) 17.769 2.962 ( -0.214 -8.002 -2.451) 8.372 3.132 ( -2.966 1.450 -8.628) 9.238 3.510 ( -0.138 -8.290 7.821) 11.398 3.624 ( -6.668 17.240 8.444) 20.322 3.836 ( 1.188 -3.025 1.977) 3.804 4.249 ( -0.569 -10.815 -8.373) 13.689 4.805 ( 5.960 4.263 1.625) 7.506 5.296 ( -4.265 -2.779 -15.050) 15.887 5.655 ( 0.565 5.181 1.567) 5.442 5.728 ( 1.801 10.878 -3.013) 11.431 6.364 ( -1.700 3.046 -0.790) 3.577 6.466 ( -1.926 0.393 1.495) 2.470 6.857 ( -0.170 -1.272 0.859) 1.544 7.902 ( 1.929 0.632 -1.419) 2.477 8.006 ( -0.557 -3.040 -3.202) 4.450 8.470 ( 1.051 -11.370 -0.800) 11.446 9.186 ( 0.053 -7.663 -0.640) 7.690 9.350 ( -1.183 -6.915 1.062) 7.096 9.467 ( 4.061 -2.526 3.901) 6.171 9.602 ( -3.397 2.591 -2.518) 4.959 9.987 ( -0.907 10.364 -0.870) 10.440 10.485 ( 0.948 1.978 0.596) 2.273 10.815 ( -2.382 -1.631 2.260) 3.666 10.905 ( 1.373 6.903 0.197) 7.041 11.424 ( 3.789 -9.479 0.800) 10.239 11.573 ( 0.522 -0.229 -0.419) 0.707 11.726 ( 1.937 -3.100 -1.258) 3.866 11.962 ( -7.441 1.976 -0.621) 7.724 12.289 ( 1.972 -3.071 -3.410) 4.995 12.627 ( -2.368 9.227 0.540) 9.541 12.937 ( -0.270 -0.052 0.226) 0.356 13.370 ( -0.100 4.188 0.581) 4.229 13.695 ( -5.956 -1.995 0.073) 6.282 13.971 ( -0.237 0.857 1.739) 1.953 14.080 ( -3.926 -10.571 -0.350) 11.282 14.377 ( -0.796 -0.661 1.604) 1.909 14.809 ( -1.591 15.384 1.478) 15.536 15.389 ( -1.115 -16.827 -0.024) 16.864 15.530 ( 2.236 0.045 4.541) 5.062 15.676 ( 1.973 -5.786 -2.333) 6.543 16.177 ( 7.088 0.099 0.845) 7.139 16.524 ( -5.592 5.435 1.599) 7.961 16.712 ( 6.634 14.449 -1.622) 15.982 17.244 ( -1.634 1.800 -0.484) 2.478 18.173 ( 1.109 -15.689 4.921) 16.480 18.585 ( 4.411 6.604 7.882) 11.189 19.044 ( 0.360 11.583 -11.829) 16.560 20.203 ( 3.549 -4.001 4.400) 6.926 20.396 ( -3.513 -9.823 -3.197) 10.911 20.600 ( -4.951 9.347 -7.766) 13.122 21.719 ( -3.624 3.265 6.496) 8.123 21.970 ( -1.051 -3.707 5.859) 7.012 22.301 ( 0.441 -2.664 2.823) 3.906 22.518 ( 5.922 2.048 -9.598) 11.462 22.624 ( 1.217 3.835 -3.510) 5.339 24.323 ( 1.887 -0.455 3.665) 4.147 24.508 ( -2.262 -2.031 -2.341) 3.837 108.578 ( 0.067 0.478 0.132) 0.500 108.780 ( -1.131 -2.579 0.507) 2.861 109.460 ( -0.079 2.443 -0.268) 2.459 109.498 ( -0.046 0.923 -0.679) 1.147 109.720 ( -0.405 -0.409 0.742) 0.940 109.769 ( 1.491 -0.833 -1.099) 2.031 ======================= Grid point 199 (103/148) ======================= q-point: ( 0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 7.550 13.000 11.824) 19.127 1.786 ( 12.922 15.533 18.100) 27.127 2.876 ( 9.024 -13.698 2.411) 16.579 2.949 ( 4.247 -7.785 -5.363) 10.364 3.109 ( -0.054 1.804 -2.651) 3.207 3.481 ( -2.608 -8.417 7.829) 11.787 3.660 ( 8.355 15.579 8.876) 19.782 3.883 ( 3.074 1.097 4.636) 5.670 4.235 ( -0.464 -11.551 -4.177) 12.292 4.818 ( -3.866 14.679 -3.844) 15.659 5.229 ( -0.283 -8.396 -9.734) 12.858 5.629 ( -3.054 2.965 1.196) 4.422 5.662 ( -6.546 9.066 -5.313) 12.380 6.297 ( -4.543 2.177 0.220) 5.042 6.352 ( -9.688 -0.222 2.487) 10.005 6.788 ( -6.489 -0.968 1.459) 6.721 7.886 ( -2.786 -1.389 -3.588) 4.750 7.992 ( -0.267 -1.206 -2.338) 2.645 8.521 ( 4.200 -8.020 -1.729) 9.217 9.053 ( -11.273 -8.066 0.035) 13.861 9.344 ( -0.346 -5.852 1.415) 6.030 9.524 ( -2.211 -1.808 -2.316) 3.678 9.561 ( 2.617 5.131 2.021) 6.104 10.040 ( 3.843 10.499 -0.368) 11.186 10.581 ( 8.179 1.891 0.190) 8.397 10.732 ( -5.689 -2.166 2.140) 6.453 10.925 ( 2.812 2.293 1.177) 3.815 11.388 ( -6.043 -5.402 -1.146) 8.186 11.555 ( -10.546 -4.452 -0.123) 11.447 11.690 ( 4.379 1.027 -2.236) 5.023 11.940 ( 4.204 -2.990 6.351) 8.182 12.329 ( 1.002 3.140 -5.500) 6.412 12.483 ( -5.106 5.798 1.336) 7.841 13.045 ( 3.184 -4.124 1.534) 5.431 13.352 ( -1.887 5.750 1.256) 6.181 13.660 ( -1.544 -7.556 2.228) 8.027 13.880 ( -3.543 2.188 2.841) 5.041 14.122 ( 4.403 -11.229 3.558) 12.575 14.411 ( 5.657 -0.619 1.582) 5.906 14.850 ( 4.769 14.384 2.428) 15.348 15.318 ( -4.884 -13.642 0.446) 14.497 15.603 ( 3.401 -5.770 1.864) 6.952 15.732 ( 3.533 3.492 -2.231) 5.445 16.337 ( 6.748 9.287 -6.311) 13.100 16.351 ( -7.895 1.632 -0.290) 8.067 16.883 ( 11.372 9.581 -2.476) 15.075 17.403 ( 13.152 1.188 1.224) 13.262 18.216 ( 2.658 -15.888 4.536) 16.735 18.708 ( 6.234 8.126 6.531) 12.147 19.042 ( 0.583 12.079 -13.575) 18.181 20.261 ( 0.897 -4.879 4.974) 7.025 20.300 ( -4.528 -7.333 -3.950) 9.480 20.492 ( -3.777 7.939 -3.559) 9.484 21.641 ( -4.339 1.869 6.054) 7.679 21.963 ( -0.193 -3.385 6.070) 6.952 22.284 ( -2.292 -2.737 1.948) 4.067 22.533 ( -2.724 0.548 -4.229) 5.060 22.640 ( -0.555 4.250 -9.752) 10.652 24.424 ( 7.138 -0.924 2.357) 7.574 24.496 ( 0.895 -1.562 -1.590) 2.402 108.577 ( -0.070 0.475 -0.022) 0.481 108.746 ( -1.936 -1.833 1.582) 3.101 109.456 ( -0.240 2.073 -0.025) 2.087 109.493 ( -0.346 0.962 -0.627) 1.199 109.725 ( 0.794 -0.331 0.676) 1.094 109.811 ( 2.314 -1.332 -2.299) 3.524 ======================= Grid point 200 (104/148) ======================= q-point: ( 0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 13.709 2.988 12.641) 18.886 2.086 ( 14.047 14.331 14.961) 25.031 2.952 ( 2.821 -6.771 -8.605) 11.307 3.093 ( 4.039 2.345 -6.850) 8.291 3.206 ( 9.239 -8.781 1.644) 12.852 3.442 ( -1.171 -7.592 6.656) 10.164 3.846 ( 4.947 -3.211 -5.986) 8.404 3.982 ( 3.126 -1.396 9.827) 10.406 4.240 ( 4.018 7.735 9.899) 13.189 4.786 ( 4.942 9.972 -5.889) 12.591 5.236 ( 0.448 -5.615 -4.801) 7.401 5.506 ( -6.656 3.731 -6.698) 10.153 5.543 ( -4.746 4.245 0.710) 6.407 6.044 ( -18.008 -2.296 2.849) 18.376 6.209 ( -4.130 0.821 0.341) 4.225 6.604 ( -10.198 -1.691 2.074) 10.543 7.802 ( -4.779 -0.444 -4.640) 6.676 7.992 ( 0.605 1.804 -2.553) 3.184 8.641 ( 6.343 -4.144 -1.777) 7.783 8.769 ( -15.013 -5.118 -0.285) 15.863 9.304 ( -3.498 -1.476 -1.266) 4.003 9.461 ( -3.300 -1.079 -1.307) 3.710 9.596 ( 0.069 5.323 0.946) 5.407 10.090 ( 1.030 7.989 -0.343) 8.063 10.654 ( 0.160 -8.320 2.084) 8.579 10.817 ( 12.468 3.510 0.446) 12.960 11.006 ( -2.075 -3.874 1.033) 4.514 11.131 ( -8.164 0.926 1.118) 8.292 11.477 ( 1.251 -6.333 0.166) 6.458 11.779 ( 3.554 7.400 -2.338) 8.535 12.055 ( 5.056 -4.968 8.453) 11.032 12.284 ( -1.944 0.628 -1.888) 2.782 12.504 ( 3.892 3.212 0.403) 5.062 13.014 ( -4.843 -6.128 1.530) 7.959 13.288 ( -3.973 6.192 2.995) 7.943 13.574 ( -4.905 -6.074 -0.779) 7.846 13.801 ( -5.093 -3.484 1.703) 6.402 14.215 ( 2.439 -13.199 7.840) 15.545 14.623 ( 11.448 0.039 2.262) 11.669 14.976 ( 6.210 11.163 2.118) 12.948 15.210 ( -4.993 -10.752 -1.324) 11.928 15.641 ( 0.429 -0.396 1.323) 1.446 15.831 ( 5.885 5.741 -2.357) 8.552 16.145 ( -8.056 8.890 -0.865) 12.028 16.565 ( 13.074 9.962 -14.976) 22.236 17.183 ( 15.537 2.946 0.061) 15.814 17.681 ( 11.991 0.301 2.220) 12.199 18.294 ( 4.426 -14.822 4.836) 16.207 18.829 ( 4.295 10.690 4.720) 12.450 19.065 ( 2.694 7.875 -10.248) 13.202 20.179 ( -4.780 -8.740 -4.792) 11.055 20.285 ( -0.230 -2.394 2.078) 3.179 20.463 ( 1.278 7.415 -1.362) 7.647 21.549 ( -4.631 -1.760 3.202) 5.899 21.966 ( -0.131 -3.137 4.800) 5.736 22.212 ( -4.384 -2.193 1.628) 5.165 22.442 ( -5.170 0.723 -1.754) 5.507 22.567 ( -5.158 5.244 -7.503) 10.507 24.525 ( 1.554 -1.147 -0.570) 2.014 24.596 ( 8.410 -1.877 0.914) 8.665 108.575 ( -0.101 0.405 -0.266) 0.495 108.708 ( -1.707 -1.236 1.669) 2.689 109.451 ( -0.203 1.660 0.095) 1.675 109.483 ( -0.522 1.016 -0.555) 1.270 109.751 ( 1.474 -0.346 0.875) 1.749 109.853 ( 1.771 -1.556 -2.854) 3.702 ======================= Grid point 201 (105/148) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 8.048 -0.865 11.931) 14.417 2.440 ( 19.635 11.521 2.953) 22.956 2.987 ( 0.933 -5.797 -3.698) 6.939 3.184 ( 4.589 2.061 -2.522) 5.627 3.350 ( 0.867 -9.566 5.039) 10.847 3.436 ( 1.959 -0.452 -2.187) 2.971 3.855 ( -3.564 -2.644 -2.280) 4.989 3.942 ( -1.932 4.265 2.149) 5.152 4.442 ( 10.307 2.278 6.199) 12.241 5.010 ( 11.243 -2.942 1.782) 11.757 5.223 ( -0.825 -0.662 -1.539) 1.868 5.378 ( -6.000 -0.093 -4.300) 7.382 5.477 ( 0.184 6.353 -3.502) 7.257 5.673 ( -15.143 0.355 1.913) 15.267 6.147 ( -1.749 -3.201 0.745) 3.724 6.421 ( -5.899 -3.822 1.867) 7.273 7.694 ( -4.224 2.899 -4.106) 6.566 8.018 ( 1.996 5.567 -2.751) 6.523 8.377 ( -20.362 -2.466 -1.101) 20.540 8.791 ( 5.889 -1.769 -1.239) 6.273 9.221 ( -3.428 0.780 -3.819) 5.191 9.398 ( -2.041 -0.940 -0.697) 2.353 9.581 ( -1.182 4.389 0.387) 4.562 10.103 ( 0.280 4.428 0.204) 4.442 10.624 ( -9.615 -6.895 1.013) 11.875 10.813 ( 0.281 -7.063 0.635) 7.097 11.093 ( 11.138 4.307 1.076) 11.990 11.191 ( 3.951 -3.050 2.200) 5.455 11.560 ( 6.191 -2.664 0.286) 6.746 11.828 ( 1.632 9.797 -2.222) 10.178 12.102 ( -1.864 -9.964 10.231) 14.402 12.335 ( 6.702 -0.083 0.721) 6.741 12.573 ( 2.614 4.421 2.718) 5.811 12.889 ( -6.646 -3.324 -0.046) 7.431 13.222 ( -2.339 3.068 0.222) 3.864 13.485 ( -3.266 -2.916 -1.217) 4.544 13.707 ( -2.168 -8.089 0.095) 8.375 14.202 ( -4.909 -15.088 9.302) 18.392 14.793 ( 4.188 0.448 2.627) 4.964 15.097 ( 4.821 10.623 0.066) 11.666 15.117 ( -3.017 -8.481 -4.253) 9.956 15.659 ( 1.705 5.477 1.135) 5.848 15.947 ( 3.900 5.692 -0.979) 6.969 16.039 ( -1.496 10.677 -1.600) 10.900 16.807 ( 9.775 10.643 -15.985) 21.548 17.482 ( 12.268 -0.885 1.015) 12.341 17.881 ( 6.597 -1.351 2.485) 7.178 18.406 ( 5.484 -12.412 5.933) 14.809 18.890 ( 1.280 10.795 3.656) 11.468 19.105 ( 0.231 4.013 -3.428) 5.283 20.107 ( -1.061 -8.113 -6.215) 10.275 20.274 ( -0.393 -2.599 -3.119) 4.079 20.529 ( 4.453 7.488 -0.986) 8.767 21.464 ( -3.192 -4.068 -0.652) 5.212 21.954 ( -1.467 -4.928 2.497) 5.716 22.129 ( -3.045 -0.593 2.765) 4.155 22.331 ( -4.959 1.584 0.567) 5.237 22.438 ( -6.025 6.471 -3.696) 9.583 24.548 ( 0.486 -0.596 0.837) 1.137 24.755 ( 6.381 -2.727 0.337) 6.947 108.572 ( -0.232 0.319 -0.342) 0.522 108.680 ( -1.060 -0.909 1.095) 1.775 109.448 ( -0.112 1.349 0.114) 1.359 109.472 ( -0.476 1.057 -0.492) 1.259 109.782 ( 1.292 -0.406 1.129) 1.763 109.881 ( 1.115 -1.511 -2.819) 3.387 ======================= Grid point 202 (106/148) ======================= q-point: ( 0.44 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 5.459 1.283 2.685) 6.217 2.874 ( 19.521 6.353 -1.372) 20.575 2.967 ( -3.990 -0.746 -0.160) 4.062 3.195 ( -7.985 -6.535 1.224) 10.391 3.268 ( -0.195 2.283 2.014) 3.050 3.527 ( 3.456 1.641 1.441) 4.088 3.808 ( 0.774 -1.892 1.561) 2.572 3.901 ( -3.273 4.751 1.186) 5.890 4.633 ( 7.005 -7.117 -0.508) 9.999 5.034 ( -6.599 -10.358 3.544) 12.782 5.213 ( -1.578 1.870 -1.453) 2.846 5.307 ( 2.101 2.014 -1.432) 3.244 5.444 ( -6.249 5.712 -0.345) 8.473 5.573 ( 4.547 4.553 -3.675) 7.410 6.137 ( 0.838 -7.521 1.760) 7.770 6.387 ( 1.667 -5.206 -0.305) 5.475 7.666 ( 1.904 4.396 -1.779) 5.111 7.957 ( -14.302 0.025 -2.015) 14.444 8.075 ( 1.303 9.322 -3.390) 10.004 8.874 ( 1.814 -1.124 -0.444) 2.180 9.172 ( -1.165 0.861 -3.471) 3.761 9.376 ( -0.166 -1.407 -1.672) 2.192 9.560 ( -0.528 3.187 0.256) 3.240 10.088 ( -1.645 0.969 0.753) 2.052 10.437 ( -4.506 0.511 -0.577) 4.571 10.880 ( 2.627 -11.198 0.517) 11.513 11.219 ( 0.899 -4.273 2.818) 5.198 11.280 ( 3.460 2.771 1.857) 4.806 11.675 ( 2.907 -0.499 0.308) 2.966 11.837 ( -2.290 6.238 0.007) 6.645 12.085 ( 2.795 -7.709 9.359) 12.443 12.472 ( 3.932 -1.066 1.218) 4.252 12.657 ( 6.327 3.852 2.959) 7.976 12.772 ( -3.106 1.167 0.037) 3.318 13.150 ( -4.531 2.003 -5.310) 7.262 13.442 ( -0.630 -2.205 -2.108) 3.114 13.763 ( 6.216 -14.583 1.085) 15.889 14.042 ( -8.705 -10.664 9.088) 16.495 14.833 ( 0.346 1.325 1.561) 2.077 15.068 ( -0.995 -7.691 -5.106) 9.285 15.179 ( 2.169 10.505 -1.614) 10.848 15.704 ( 1.918 6.596 0.793) 6.915 15.964 ( -0.407 9.090 0.737) 9.129 16.062 ( 1.004 8.277 -1.117) 8.412 16.915 ( 1.481 11.108 -14.125) 18.031 17.684 ( 6.600 -3.115 0.648) 7.327 17.963 ( 1.198 -4.319 1.924) 4.878 18.510 ( 3.132 -9.564 7.612) 12.618 18.886 ( -1.945 8.669 4.076) 9.775 19.039 ( -5.989 3.626 3.112) 7.662 20.114 ( 0.826 -8.240 -3.474) 8.980 20.288 ( 3.048 -3.218 -11.883) 12.682 20.612 ( 2.735 7.992 -1.011) 8.508 21.435 ( 1.214 -3.782 -4.690) 6.147 21.920 ( -1.156 -7.009 0.801) 7.149 22.092 ( -1.231 -0.537 3.692) 3.929 22.246 ( -3.205 2.538 3.026) 5.086 22.335 ( -2.908 7.947 -0.889) 8.509 24.545 ( -0.937 -0.076 2.303) 2.488 24.855 ( 3.026 -3.292 -0.152) 4.474 108.566 ( -0.274 0.283 -0.216) 0.449 108.667 ( -0.181 -0.818 0.532) 0.992 109.446 ( -0.079 1.215 0.123) 1.224 109.465 ( -0.120 1.044 -0.480) 1.156 109.803 ( 0.535 -0.455 1.253) 1.436 109.894 ( 0.350 -1.387 -2.677) 3.035 ======================= Grid point 203 (107/148) ======================= q-point: (-0.44 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 5.745 1.742 -1.989) 6.325 2.705 ( -19.194 6.317 4.250) 20.649 3.045 ( -1.713 -4.770 -3.886) 6.386 3.165 ( -4.125 -1.805 2.926) 5.369 3.336 ( 12.068 2.840 -1.879) 12.539 3.578 ( 1.742 2.275 2.337) 3.697 3.779 ( -5.527 -4.191 1.590) 7.116 3.888 ( 3.153 7.693 2.587) 8.708 4.671 ( -4.125 -13.471 -2.486) 14.306 4.925 ( -3.453 -6.293 6.430) 9.637 5.201 ( 1.666 2.298 -2.031) 3.490 5.327 ( -4.752 7.516 -0.229) 8.895 5.454 ( 11.217 0.607 -1.115) 11.289 5.591 ( -2.138 3.032 -3.794) 5.306 6.190 ( 4.321 -8.435 0.870) 9.517 6.424 ( 0.968 -4.973 -2.435) 5.622 7.605 ( -5.177 4.505 -0.174) 6.865 7.986 ( 15.377 -0.322 -2.340) 15.557 8.095 ( 0.096 10.944 -4.216) 11.728 8.869 ( -2.233 -0.430 -0.171) 2.280 9.139 ( -1.848 1.324 -2.046) 3.059 9.389 ( 1.503 -2.067 -2.025) 3.261 9.567 ( 1.219 2.786 -0.226) 3.049 10.079 ( 1.146 0.896 1.055) 1.797 10.450 ( 5.666 0.336 -1.212) 5.804 10.886 ( -2.209 -11.143 0.287) 11.363 11.207 ( -2.454 -4.099 3.250) 5.778 11.259 ( -5.137 1.402 2.835) 6.032 11.640 ( -5.709 -0.729 1.935) 6.072 11.756 ( -3.677 8.338 3.176) 9.650 12.228 ( 7.666 -8.023 2.443) 11.363 12.470 ( -3.669 -1.252 0.806) 3.960 12.785 ( 3.915 1.716 -0.943) 4.378 12.841 ( 9.688 1.451 2.585) 10.131 13.070 ( -1.648 5.057 -7.960) 9.573 13.454 ( 1.866 -1.941 -2.399) 3.606 13.722 ( -8.368 -17.322 1.988) 19.339 14.121 ( 14.527 -7.623 8.774) 18.605 14.828 ( -0.858 1.190 1.569) 2.148 15.049 ( -0.851 -9.021 -5.289) 10.491 15.183 ( -1.606 10.319 -1.819) 10.600 15.720 ( -0.700 6.600 0.116) 6.638 15.954 ( -0.819 10.307 1.156) 10.404 16.030 ( -4.126 7.260 -0.456) 8.363 16.851 ( -6.414 11.871 -11.100) 17.472 17.738 ( -2.194 -2.704 -1.664) 3.859 17.946 ( -2.523 -6.642 2.571) 7.556 18.505 ( -5.133 -9.629 9.340) 14.363 18.819 ( -5.251 6.718 6.774) 10.890 18.929 ( -2.267 5.855 3.917) 7.400 20.103 ( -1.403 -8.002 -3.332) 8.781 20.372 ( 4.655 -5.622 -13.078) 14.977 20.634 ( 0.114 9.726 -2.152) 9.962 21.518 ( 6.922 -2.696 -7.625) 10.645 21.918 ( 0.492 -6.834 0.843) 6.903 22.072 ( -0.539 -3.096 3.733) 4.880 22.201 ( -1.374 4.980 4.801) 7.053 22.331 ( 2.249 7.736 0.117) 8.057 24.514 ( -2.164 0.221 3.235) 3.898 24.880 ( -0.575 -3.609 -0.857) 3.753 108.562 ( -0.100 0.294 -0.060) 0.316 108.674 ( 0.811 -0.947 0.273) 1.277 109.445 ( -0.048 1.323 0.122) 1.330 109.467 ( 0.342 0.953 -0.507) 1.133 109.806 ( -0.360 -0.490 1.316) 1.450 109.889 ( -0.703 -1.267 -2.642) 3.013 ======================= Grid point 204 (108/148) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -21.982 8.438 4.608) 23.993 2.416 ( 4.589 2.245 2.992) 5.920 2.960 ( -11.155 -1.645 -2.957) 11.657 3.016 ( -3.062 -3.317 0.771) 4.580 3.467 ( -10.714 -3.046 -0.869) 11.172 3.569 ( 7.265 -1.986 -3.053) 8.127 3.747 ( -0.056 0.032 1.933) 1.934 3.979 ( 7.326 8.391 2.546) 11.426 4.530 ( -7.361 -11.039 -2.025) 13.422 4.770 ( -13.718 -3.462 9.482) 17.031 5.260 ( 3.618 5.426 0.078) 6.522 5.297 ( 2.516 -0.608 -1.987) 3.263 5.549 ( -0.209 6.786 -4.787) 8.307 5.764 ( 17.719 -2.196 -1.816) 17.947 6.300 ( 4.385 -5.551 -3.023) 7.692 6.458 ( 4.766 -3.245 -0.769) 5.817 7.588 ( 2.955 4.382 -0.570) 5.316 8.061 ( -2.063 7.076 -4.605) 8.691 8.394 ( 20.651 -2.043 -1.258) 20.790 8.772 ( -6.888 -0.627 -0.403) 6.928 9.137 ( 2.768 2.991 -0.232) 4.082 9.422 ( 1.397 -3.089 -1.168) 3.586 9.606 ( 2.432 3.946 -1.148) 4.775 10.106 ( 0.837 3.702 0.170) 3.799 10.662 ( 12.100 -6.969 -0.992) 13.999 10.806 ( -3.214 -7.549 1.168) 8.288 11.037 ( -12.328 3.951 3.113) 13.314 11.182 ( -3.128 -4.962 2.595) 6.414 11.506 ( -5.718 -1.006 2.267) 6.232 11.707 ( -1.614 9.961 2.927) 10.507 12.326 ( -0.308 -1.284 1.033) 1.677 12.356 ( -4.742 -6.791 -2.167) 8.562 12.904 ( 0.521 -2.557 -3.483) 4.352 12.921 ( 1.279 1.393 -6.652) 6.916 13.131 ( 8.539 7.932 3.449) 12.154 13.514 ( 3.983 -3.696 -2.494) 5.979 13.647 ( 2.753 -10.816 1.698) 11.290 14.466 ( 13.935 -11.986 3.148) 18.648 14.818 ( 1.753 -2.134 6.868) 7.403 15.000 ( -4.754 -4.171 -4.909) 8.006 15.129 ( -2.047 4.763 -2.033) 5.568 15.680 ( -2.570 7.839 0.231) 8.253 15.870 ( -9.841 9.470 0.080) 13.658 15.949 ( -0.810 6.320 0.759) 6.417 16.644 ( -11.790 13.138 -7.641) 19.235 17.571 ( -13.095 -0.814 -2.395) 13.338 17.869 ( -5.530 -5.309 3.124) 8.278 18.348 ( -8.552 -11.628 9.401) 17.225 18.686 ( -7.047 6.745 6.931) 11.967 18.958 ( 3.116 5.989 2.984) 7.382 20.069 ( -1.086 -7.438 -4.058) 8.543 20.428 ( 1.546 -6.437 -8.036) 10.412 20.647 ( 1.593 10.023 -5.555) 11.570 21.684 ( 8.468 -2.952 -9.512) 13.073 21.922 ( -0.017 -3.940 4.272) 5.812 22.098 ( 2.534 -6.130 1.486) 6.797 22.196 ( 0.473 7.642 6.085) 9.780 22.409 ( 4.684 6.304 -0.257) 7.858 24.461 ( -3.096 0.208 3.457) 4.646 24.832 ( -3.799 -3.718 -1.836) 5.624 108.562 ( 0.135 0.338 0.043) 0.366 108.702 ( 1.806 -1.338 0.175) 2.255 109.446 ( 0.138 1.586 0.105) 1.595 109.476 ( 0.559 0.899 -0.575) 1.205 109.791 ( -1.075 -0.532 1.392) 1.837 109.860 ( -1.880 -1.104 -2.587) 3.384 ======================= Grid point 205 (109/148) ======================= q-point: (-0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -18.228 13.177 6.656) 23.457 2.394 ( -12.166 2.848 18.005) 21.916 2.719 ( -8.131 1.831 -9.098) 12.338 2.941 ( -3.868 0.075 -4.140) 5.666 3.272 ( -4.343 -9.562 5.360) 11.791 3.613 ( -4.471 2.965 -1.091) 5.475 3.753 ( 3.282 -5.578 -3.671) 7.441 4.143 ( 1.094 -2.484 2.778) 3.884 4.390 ( -7.666 -10.747 -5.230) 14.199 4.468 ( -6.435 6.682 10.830) 14.260 5.355 ( 2.546 -0.978 -7.926) 8.382 5.387 ( 8.445 8.460 0.632) 11.970 5.574 ( 2.296 6.726 -1.889) 7.354 6.145 ( 16.993 -3.000 -1.237) 17.300 6.350 ( 1.917 -0.926 -4.266) 4.768 6.632 ( 9.606 -1.563 0.454) 9.742 7.689 ( 5.979 2.598 -0.349) 6.529 8.019 ( -1.171 2.102 -4.105) 4.758 8.606 ( -7.621 -3.703 -0.246) 8.477 8.785 ( 15.593 -3.887 -0.996) 16.101 9.249 ( 6.826 1.730 1.394) 7.179 9.435 ( -0.391 -4.838 0.009) 4.854 9.657 ( 1.893 6.049 -1.757) 6.578 10.116 ( 0.030 5.681 -1.197) 5.806 10.681 ( -1.820 -7.362 0.899) 7.637 10.749 ( -11.764 3.148 2.891) 12.517 10.996 ( 3.781 -6.342 1.353) 7.507 11.136 ( 5.332 -0.179 0.841) 5.401 11.443 ( 0.018 -3.587 1.262) 3.803 11.671 ( -2.316 7.507 2.210) 8.161 12.236 ( -3.164 7.805 1.018) 8.483 12.316 ( -2.828 -11.269 -3.867) 12.245 12.708 ( -10.045 3.322 -7.223) 12.810 13.061 ( 5.030 -3.218 -0.527) 5.995 13.296 ( 5.499 5.487 2.902) 8.293 13.622 ( 6.458 -5.842 -2.788) 9.144 13.794 ( 9.023 -4.395 1.003) 10.087 14.519 ( -5.840 -7.175 -5.563) 10.795 14.785 ( -15.007 -2.214 -4.205) 15.742 14.992 ( 4.084 -5.537 8.975) 11.309 15.156 ( 7.549 -4.476 -1.937) 8.988 15.625 ( -8.104 11.500 4.398) 14.740 15.664 ( -0.996 -0.346 -0.712) 1.273 15.946 ( 0.636 7.153 2.886) 7.739 16.407 ( -8.088 15.351 -4.199) 17.853 17.227 ( -18.277 1.727 -0.755) 18.374 17.697 ( -11.095 -2.268 1.663) 11.446 18.214 ( -4.529 -13.440 7.433) 16.013 18.564 ( -4.479 6.492 7.570) 10.932 19.019 ( 2.129 6.452 -0.994) 6.866 20.067 ( 1.357 -6.029 -1.965) 6.484 20.444 ( 0.754 -6.889 -4.528) 8.278 20.676 ( 1.281 9.210 -8.195) 12.395 21.792 ( 1.475 -3.692 -3.667) 5.408 21.966 ( 3.598 -2.257 0.345) 4.261 22.161 ( 3.851 -3.615 2.462) 5.827 22.236 ( 2.940 6.790 4.779) 8.809 22.510 ( 4.634 4.918 -1.007) 6.832 24.393 ( -3.476 -0.060 3.324) 4.810 24.725 ( -5.947 -3.521 -2.785) 7.451 108.567 ( 0.305 0.400 0.100) 0.512 108.746 ( 2.197 -2.030 -0.055) 2.992 109.451 ( 0.328 1.979 -0.001) 2.006 109.488 ( 0.526 0.900 -0.654) 1.231 109.766 ( -1.381 -0.577 1.397) 2.048 109.809 ( -2.517 -0.817 -2.089) 3.372 ======================= Grid point 206 (110/148) ======================= q-point: (-0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -8.534 20.051 8.894) 23.536 1.970 ( -23.745 5.695 13.975) 28.135 2.614 ( -2.427 0.556 9.027) 9.364 2.924 ( 2.123 0.356 -1.293) 2.511 3.231 ( -2.969 -5.940 -6.490) 9.286 3.516 ( -2.560 -5.176 5.095) 7.701 3.805 ( 0.747 -3.823 -7.112) 8.109 3.890 ( -16.071 2.254 14.177) 21.549 4.280 ( -2.070 -8.762 -9.228) 12.892 4.610 ( 10.997 3.155 4.254) 12.206 5.369 ( -0.818 0.243 -13.874) 13.901 5.585 ( 8.534 15.741 0.210) 17.907 5.629 ( 3.363 0.505 0.667) 3.466 6.365 ( 2.095 1.078 -1.477) 2.781 6.426 ( 6.200 -0.087 -1.203) 6.316 6.798 ( 5.565 -0.975 0.690) 5.691 7.816 ( 5.725 0.852 -0.648) 5.824 8.009 ( 0.269 -1.368 -3.560) 3.823 8.486 ( -3.142 -8.531 -0.121) 9.092 9.057 ( 10.551 -5.386 -0.620) 11.863 9.374 ( 3.715 -2.396 1.513) 4.672 9.405 ( -1.687 -5.572 1.600) 6.038 9.657 ( -1.592 4.734 -1.640) 5.256 10.072 ( -4.543 7.103 -1.598) 8.581 10.541 ( -6.502 2.318 1.611) 7.089 10.760 ( 7.437 -0.073 0.710) 7.471 10.915 ( -4.719 -0.495 1.749) 5.057 11.317 ( 4.973 -4.938 1.793) 7.234 11.557 ( 10.553 -3.447 -0.632) 11.120 11.618 ( -2.433 2.183 0.750) 3.354 12.155 ( -8.491 2.365 -1.134) 8.887 12.255 ( 0.625 -2.950 -2.956) 4.223 12.584 ( 0.115 6.966 -3.113) 7.631 13.070 ( -5.019 -3.285 0.122) 6.000 13.360 ( 1.144 5.292 1.166) 5.538 13.760 ( 5.026 -8.490 -2.293) 10.129 13.937 ( 2.424 -0.019 -0.041) 2.424 14.304 ( -15.172 -4.188 -5.905) 16.811 14.454 ( -9.406 -1.856 -0.170) 9.589 14.909 ( -7.084 12.271 1.232) 14.223 15.334 ( 6.268 -16.533 -1.208) 17.722 15.520 ( -1.804 6.151 6.886) 9.408 15.676 ( -1.093 -14.492 -1.002) 14.568 16.034 ( 6.766 8.886 6.008) 12.682 16.395 ( 8.270 14.245 -1.364) 16.528 16.856 ( -15.716 6.276 0.223) 16.925 17.433 ( -12.917 -0.028 -0.107) 12.918 18.165 ( -0.938 -14.502 5.862) 15.670 18.526 ( 0.294 6.177 8.347) 10.389 19.043 ( 0.627 8.673 -6.856) 11.074 20.121 ( 3.554 -4.687 1.708) 6.125 20.444 ( -0.818 -9.128 -3.041) 9.656 20.674 ( -1.164 9.703 -9.831) 13.862 21.778 ( -2.135 0.025 3.477) 4.080 21.993 ( -0.943 -2.851 2.469) 3.888 22.263 ( 3.340 -4.033 2.519) 5.811 22.347 ( 8.592 6.362 -3.122) 11.137 22.589 ( 2.767 3.867 -1.700) 5.050 24.331 ( -2.354 -0.350 3.494) 4.228 24.596 ( -5.584 -2.843 -2.967) 6.933 108.574 ( 0.289 0.449 0.140) 0.552 108.782 ( 0.988 -2.707 -0.252) 2.893 109.458 ( 0.294 2.395 -0.247) 2.426 109.496 ( 0.285 0.916 -0.696) 1.186 109.739 ( -1.255 -0.568 1.092) 1.758 109.765 ( -1.164 -0.557 -1.027) 1.649 ======================= Grid point 207 (111/148) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -6.244 15.323 13.095) 21.101 1.977 ( 2.679 18.355 16.886) 25.084 2.630 ( -0.936 6.214 -0.564) 6.309 2.733 ( -1.696 -12.830 -0.424) 12.948 3.114 ( -4.213 -6.672 2.629) 8.317 3.364 ( 3.499 -0.461 -0.622) 3.583 3.724 ( 1.335 -5.989 -6.951) 9.272 3.983 ( -3.236 -2.119 1.618) 4.193 4.051 ( 2.058 7.237 7.481) 10.610 4.800 ( 8.841 -5.097 6.747) 12.234 5.323 ( -5.961 5.035 -17.626) 19.276 5.640 ( -0.517 -2.669 -3.519) 4.447 6.060 ( -0.078 17.390 0.167) 17.391 6.433 ( -2.030 2.667 2.163) 3.989 6.497 ( -1.030 3.732 -0.215) 3.877 6.813 ( -0.033 -3.280 1.206) 3.494 7.882 ( 0.335 -3.821 -2.265) 4.455 7.917 ( -0.382 -5.693 -1.960) 6.033 8.308 ( 1.526 -2.080 -0.480) 2.624 8.966 ( -0.686 -14.083 -0.864) 14.126 9.214 ( -1.234 -5.461 0.485) 5.619 9.369 ( 2.272 -6.635 2.965) 7.614 9.709 ( -1.439 7.659 -1.905) 8.022 10.133 ( 0.609 1.798 -0.575) 1.984 10.563 ( 0.738 6.026 -0.352) 6.081 10.849 ( -1.016 6.649 1.468) 6.885 11.069 ( -1.029 9.144 -0.140) 9.202 11.186 ( 3.084 -13.206 0.028) 13.561 11.505 ( 1.401 -6.816 0.744) 6.998 11.614 ( -1.079 -7.491 -1.440) 7.704 12.077 ( -6.069 8.510 -1.389) 10.544 12.292 ( 2.353 1.653 -3.850) 4.805 12.828 ( -1.413 11.360 1.961) 11.615 12.945 ( -1.567 1.215 0.342) 2.012 13.394 ( -0.492 -2.403 0.870) 2.603 13.621 ( -0.261 -5.557 3.325) 6.481 13.954 ( -8.797 -2.064 -1.897) 9.232 13.991 ( -1.493 0.922 0.957) 1.998 14.356 ( -0.111 -0.891 1.882) 2.085 14.895 ( 2.305 -16.064 4.305) 16.790 15.090 ( -1.438 -1.264 -1.603) 2.497 15.379 ( -0.730 -9.560 1.566) 9.715 15.826 ( 5.242 14.990 -0.223) 15.882 16.229 ( 3.795 2.542 1.554) 4.825 16.669 ( -3.290 8.962 0.488) 9.559 16.921 ( 4.074 6.496 -1.752) 7.865 17.300 ( -0.520 4.032 0.503) 4.097 17.868 ( 0.951 -14.726 4.200) 15.343 18.768 ( 4.342 11.874 8.398) 15.178 19.233 ( 2.796 6.582 -12.851) 14.707 20.078 ( 1.861 -8.917 5.155) 10.467 20.172 ( -0.694 -10.368 -2.193) 10.620 20.854 ( -5.672 15.200 -8.585) 18.356 21.692 ( -4.640 -7.914 -4.055) 10.030 21.955 ( 1.127 3.774 5.318) 6.618 22.246 ( 0.742 -3.080 1.068) 3.344 22.576 ( 2.343 3.657 -0.583) 4.382 22.688 ( 1.293 2.193 -0.937) 2.712 24.318 ( 1.611 0.187 2.267) 2.787 24.454 ( -1.430 -3.293 -2.057) 4.138 108.593 ( 0.064 1.104 0.299) 1.146 108.721 ( -0.598 -3.084 0.945) 3.281 109.511 ( -0.113 2.324 -0.914) 2.500 109.522 ( -0.082 1.426 -0.505) 1.515 109.711 ( -0.237 -0.463 0.490) 0.715 109.747 ( 0.918 -1.287 -0.991) 1.866 ======================= Grid point 208 (112/148) ======================= q-point: ( 0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 1.553 16.092 14.390) 21.643 2.123 ( 9.096 14.127 19.748) 25.929 2.692 ( 5.683 -7.213 -3.930) 9.988 2.780 ( 6.125 -7.276 1.636) 9.651 3.114 ( 4.257 -1.221 2.553) 5.112 3.339 ( -4.160 -1.468 -1.886) 4.798 3.730 ( 0.325 -4.679 -9.093) 10.232 3.928 ( -2.087 -8.087 -1.868) 8.558 4.199 ( 10.256 13.961 13.771) 22.130 4.985 ( 7.967 -4.677 4.549) 10.297 5.152 ( -8.211 6.936 -15.801) 19.110 5.587 ( -4.095 -3.691 -3.629) 6.600 5.929 ( -10.284 13.577 -0.594) 17.042 6.310 ( -10.517 -0.810 2.120) 10.759 6.404 ( -7.201 5.307 1.266) 9.035 6.749 ( -6.656 -3.169 1.869) 7.605 7.846 ( -1.570 -2.227 -3.235) 4.230 7.956 ( 2.762 -2.689 -0.757) 3.929 8.395 ( 6.550 -3.193 -1.975) 7.550 8.843 ( -9.205 -12.527 0.029) 15.546 9.236 ( 2.489 -3.998 1.009) 4.817 9.436 ( 2.149 -6.165 -0.186) 6.532 9.709 ( 1.416 9.175 -0.663) 9.307 10.198 ( 4.056 2.086 -1.078) 4.687 10.647 ( 5.361 5.438 -0.206) 7.639 10.748 ( -6.604 5.438 1.530) 8.690 10.976 ( -2.586 2.085 0.101) 3.323 11.263 ( 0.620 -5.688 -0.119) 5.723 11.415 ( -12.760 -9.238 -0.489) 15.761 11.595 ( 5.403 -8.775 1.189) 10.373 12.034 ( 1.413 9.870 0.969) 10.018 12.374 ( 4.772 0.747 -4.197) 6.399 12.635 ( -11.084 9.231 2.803) 14.694 12.988 ( -0.743 -1.918 2.423) 3.178 13.413 ( 2.001 -0.792 0.970) 2.361 13.529 ( -7.292 -4.255 1.357) 8.551 13.888 ( -4.585 -1.496 4.413) 6.537 13.946 ( 1.222 -6.383 5.092) 8.257 14.422 ( 7.620 2.126 0.445) 7.924 14.962 ( 3.037 -10.693 2.138) 11.320 15.089 ( 1.142 0.165 -0.399) 1.221 15.418 ( 4.239 -9.368 0.802) 10.313 15.947 ( 5.765 13.859 -2.212) 15.172 16.341 ( 4.354 0.444 -1.014) 4.492 16.612 ( 1.182 14.070 -1.256) 14.176 17.029 ( 6.963 4.371 -3.348) 8.877 17.440 ( 11.443 2.626 1.473) 11.833 17.916 ( 3.277 -14.296 3.972) 15.195 18.890 ( 6.315 10.797 5.602) 13.705 19.265 ( 1.100 8.965 -16.179) 18.529 20.064 ( -2.822 -11.020 2.231) 11.593 20.189 ( 1.577 -6.170 -0.719) 6.408 20.716 ( -5.806 14.026 -2.681) 15.415 21.562 ( -7.088 -9.884 -0.359) 12.168 21.981 ( 0.756 4.917 3.358) 6.002 22.228 ( -2.291 -2.866 0.258) 3.678 22.564 ( -2.906 2.560 1.033) 4.008 22.700 ( -0.756 1.454 -3.866) 4.200 24.404 ( 6.052 -0.909 1.319) 6.260 24.457 ( 1.531 -2.246 -1.666) 3.188 108.592 ( -0.145 1.033 0.137) 1.052 108.702 ( -1.213 -2.425 1.343) 3.026 109.502 ( -0.526 2.340 -0.552) 2.461 109.517 ( -0.311 1.368 -0.428) 1.466 109.718 ( 0.847 -0.326 0.425) 1.002 109.777 ( 1.803 -1.980 -1.664) 3.153 ======================= Grid point 209 (113/148) ======================= q-point: ( 0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 5.909 9.295 14.310) 18.058 2.372 ( 12.570 12.527 14.587) 22.973 2.769 ( 1.417 -11.639 3.776) 12.318 2.978 ( 11.095 -10.480 0.904) 15.289 3.194 ( 1.326 5.151 -5.707) 7.801 3.360 ( 7.970 1.475 -0.764) 8.141 3.740 ( 1.709 -7.908 -10.061) 12.911 3.892 ( -0.830 -6.879 -0.419) 6.942 4.441 ( 9.819 11.677 12.014) 19.419 4.991 ( -5.050 6.554 -10.541) 13.400 5.132 ( 5.636 -2.313 2.426) 6.557 5.483 ( -5.062 -2.847 -4.135) 7.129 5.713 ( -8.729 9.076 -0.930) 12.627 6.003 ( -17.115 -1.733 1.877) 17.305 6.238 ( -8.262 2.330 1.116) 8.656 6.543 ( -12.119 -4.587 2.416) 13.181 7.819 ( -1.110 2.764 -3.370) 4.498 8.032 ( 4.727 1.768 -0.770) 5.105 8.553 ( 6.348 -4.499 -1.203) 7.873 8.625 ( -10.007 -8.624 -0.703) 13.229 9.271 ( -0.041 -1.100 -0.382) 1.165 9.428 ( -2.261 -2.713 -2.172) 4.146 9.738 ( 0.289 9.002 -0.089) 9.007 10.250 ( 1.017 4.207 -0.937) 4.428 10.518 ( -7.977 -2.118 1.022) 8.316 10.884 ( -1.565 -0.825 -0.429) 1.821 10.930 ( 5.797 0.525 0.272) 5.827 11.133 ( -3.669 0.022 1.270) 3.883 11.365 ( 4.578 -5.140 1.593) 7.065 11.709 ( 5.122 -13.661 1.802) 14.701 12.094 ( 2.616 10.124 0.726) 10.481 12.386 ( -4.112 6.953 1.038) 8.145 12.536 ( 3.412 0.429 1.254) 3.660 12.896 ( -6.467 -6.226 3.421) 9.606 13.370 ( -6.256 0.953 2.485) 6.798 13.455 ( -0.170 -3.797 -2.960) 4.818 13.729 ( -8.629 -3.018 2.901) 9.591 13.988 ( -0.072 -10.042 9.980) 14.158 14.636 ( 10.150 1.959 0.100) 10.338 14.998 ( 0.359 -8.849 -1.864) 9.050 15.149 ( 4.664 5.205 0.742) 7.028 15.524 ( 4.995 -7.912 0.005) 9.357 16.070 ( 6.139 14.647 -1.381) 15.942 16.339 ( -1.930 9.120 1.365) 9.421 16.782 ( 12.382 11.259 -8.484) 18.763 17.223 ( 10.921 0.462 -1.743) 11.069 17.688 ( 10.484 0.272 1.648) 10.616 18.014 ( 5.962 -13.062 4.780) 15.133 19.022 ( 5.378 9.617 2.426) 11.282 19.255 ( -0.643 9.637 -14.346) 17.295 19.996 ( -3.192 -8.538 -1.231) 9.198 20.207 ( 0.021 -5.820 -1.646) 6.049 20.646 ( -0.477 11.106 0.814) 11.146 21.412 ( -6.689 -11.356 1.597) 13.276 21.982 ( -1.159 3.923 1.381) 4.317 22.163 ( -3.444 -2.554 -0.393) 4.306 22.481 ( -4.729 3.123 2.709) 6.281 22.641 ( -4.240 1.834 -3.337) 5.699 24.500 ( 2.302 -1.212 -0.525) 2.654 24.550 ( 7.157 -2.593 0.060) 7.613 108.588 ( -0.234 0.876 -0.117) 0.914 108.677 ( -1.208 -1.806 1.201) 2.482 109.491 ( -0.520 2.125 -0.243) 2.201 109.508 ( -0.487 1.386 -0.404) 1.524 109.743 ( 1.437 -0.322 0.571) 1.579 109.813 ( 1.654 -2.328 -2.018) 3.496 ======================= Grid point 210 (114/148) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 7.686 4.478 10.385) 13.674 2.639 ( 11.355 2.755 1.338) 11.760 2.822 ( 5.003 -4.913 7.878) 10.546 3.169 ( 7.126 -3.921 8.834) 12.009 3.296 ( 5.424 2.757 -3.560) 7.049 3.454 ( 1.833 3.303 -8.473) 9.277 3.757 ( -1.072 -6.599 -2.493) 7.135 3.942 ( 5.329 -3.828 -0.796) 6.609 4.537 ( -1.017 6.515 1.404) 6.742 4.937 ( -2.248 -4.832 -1.467) 5.527 5.234 ( 4.294 2.511 0.687) 5.021 5.384 ( -3.630 0.601 -3.257) 4.914 5.598 ( -2.226 5.237 -0.396) 5.704 5.699 ( -9.353 2.081 0.175) 9.584 6.074 ( -7.095 -3.380 -0.027) 7.859 6.312 ( -8.075 -6.989 1.958) 10.857 7.783 ( -1.895 6.170 -3.219) 7.213 8.152 ( 6.312 5.868 -0.885) 8.663 8.312 ( -16.387 -2.532 -0.556) 16.591 8.728 ( 6.717 -4.856 -0.470) 8.302 9.239 ( -2.160 1.094 -2.765) 3.675 9.370 ( -2.435 -2.025 -1.894) 3.690 9.713 ( -2.132 9.042 -0.454) 9.301 10.225 ( -4.341 7.678 -0.168) 8.821 10.421 ( -1.326 -12.422 0.874) 12.523 10.697 ( -6.182 -5.874 -0.364) 8.535 11.114 ( 0.522 -2.313 1.727) 2.933 11.182 ( 9.187 3.539 1.324) 9.934 11.515 ( 8.240 -2.057 1.000) 8.551 11.821 ( 5.499 -13.132 4.482) 14.926 12.080 ( -2.870 11.718 -0.147) 12.066 12.389 ( 3.399 3.986 3.292) 6.187 12.620 ( 3.137 0.492 3.008) 4.374 12.794 ( -2.422 -6.482 0.998) 6.991 13.252 ( -4.912 -0.736 2.796) 5.700 13.414 ( -3.432 -4.528 -2.773) 6.322 13.575 ( -5.005 -2.374 -1.454) 5.728 13.949 ( -4.276 -10.907 10.391) 15.660 14.782 ( 3.787 0.142 -0.836) 3.881 14.990 ( -0.597 -5.243 -4.971) 7.250 15.270 ( 6.046 6.537 0.486) 8.918 15.611 ( 3.217 -6.091 -0.166) 6.891 16.185 ( 4.478 15.447 0.087) 16.084 16.334 ( 1.281 16.036 2.361) 16.259 17.019 ( 9.700 9.247 -10.184) 16.832 17.441 ( 9.138 -3.404 -0.140) 9.752 17.838 ( 3.641 -2.566 0.852) 4.535 18.174 ( 7.986 -10.772 6.987) 15.120 19.092 ( 0.747 9.449 0.337) 9.484 19.220 ( -2.160 7.201 -7.205) 10.413 19.950 ( -0.567 -6.789 -3.301) 7.570 20.194 ( -0.642 -5.972 -6.127) 8.580 20.688 ( 3.811 8.628 0.763) 9.463 21.307 ( -3.013 -11.036 1.549) 11.545 21.928 ( -3.700 1.783 -0.474) 4.134 22.103 ( -2.174 -2.034 0.159) 2.981 22.386 ( -4.164 4.043 3.951) 7.021 22.537 ( -4.930 2.974 -1.355) 5.915 24.539 ( 1.296 -0.073 0.426) 1.366 24.685 ( 5.442 -4.118 -0.076) 6.825 108.582 ( -0.318 0.727 -0.241) 0.829 108.656 ( -0.823 -1.422 0.733) 1.799 109.481 ( -0.347 1.858 -0.119) 1.894 109.498 ( -0.466 1.391 -0.364) 1.512 109.773 ( 1.250 -0.376 0.738) 1.500 109.842 ( 1.201 -2.299 -2.023) 3.290 ======================= Grid point 211 (115/148) ======================= q-point: ( 0.44 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 6.949 4.887 2.564) 8.874 2.829 ( 6.723 -11.632 -0.425) 13.442 2.985 ( 6.877 3.767 2.235) 8.153 3.192 ( -10.709 5.193 1.553) 12.003 3.328 ( 6.171 2.394 8.147) 10.497 3.579 ( 7.698 3.562 -7.038) 11.022 3.715 ( -1.869 -4.297 2.515) 5.318 4.001 ( -0.277 2.544 3.942) 4.699 4.504 ( -1.464 -4.427 -8.183) 9.418 4.816 ( -6.840 -11.086 3.221) 13.419 5.278 ( -0.884 4.780 -2.979) 5.702 5.364 ( 3.013 3.644 0.724) 4.783 5.542 ( -3.073 3.768 -1.199) 5.008 5.661 ( 1.813 3.676 -0.817) 4.180 5.964 ( -2.340 -8.404 -0.311) 8.729 6.249 ( 0.999 -8.594 -0.272) 8.656 7.772 ( 2.020 5.723 -2.155) 6.440 7.959 ( -13.795 -0.093 -1.927) 13.929 8.294 ( 5.485 12.073 -0.813) 13.286 8.828 ( 2.547 -3.861 0.785) 4.692 9.199 ( -1.229 1.804 -3.258) 3.921 9.338 ( -0.484 -2.402 -2.241) 3.321 9.666 ( -1.780 7.936 -0.350) 8.141 10.115 ( -4.088 1.550 0.103) 4.373 10.413 ( -0.079 -3.989 0.413) 4.011 10.659 ( 0.620 -10.682 -0.027) 10.700 11.107 ( -0.727 -4.516 2.340) 5.138 11.303 ( 1.913 -1.862 2.318) 3.536 11.655 ( 3.758 0.412 0.571) 3.823 11.917 ( 1.727 -4.516 6.710) 8.271 12.050 ( 1.102 9.465 -1.272) 9.614 12.452 ( 1.834 -1.174 2.512) 3.325 12.692 ( 4.474 0.087 2.335) 5.047 12.786 ( 0.891 -0.470 -0.138) 1.016 13.167 ( -3.296 -1.532 3.506) 5.050 13.348 ( -1.782 -8.899 -1.772) 9.247 13.532 ( 0.136 -2.898 -5.803) 6.488 13.866 ( -2.294 -8.097 8.857) 12.217 14.819 ( 0.328 -0.579 -1.681) 1.808 14.967 ( -1.222 -3.647 -6.077) 7.191 15.369 ( 2.831 7.068 0.420) 7.625 15.657 ( 1.182 -5.488 -0.342) 5.624 16.257 ( 2.152 15.963 1.411) 16.169 16.360 ( 0.185 19.197 2.541) 19.365 17.142 ( 2.433 9.803 -9.585) 13.925 17.589 ( 4.876 -6.187 0.679) 7.907 17.862 ( -0.976 -4.567 0.422) 4.689 18.311 ( 3.370 -10.652 9.354) 14.571 19.058 ( -3.547 8.461 0.785) 9.208 19.138 ( -4.984 6.032 -0.385) 7.834 19.961 ( 0.972 -6.344 -2.893) 7.040 20.188 ( 1.215 -6.983 -11.305) 13.343 20.775 ( 3.831 8.302 -0.643) 9.166 21.303 ( 2.834 -9.082 -1.561) 9.642 21.856 ( -2.413 0.350 -0.865) 2.587 22.060 ( -2.258 -2.751 1.331) 3.799 22.324 ( -1.978 5.059 4.557) 7.090 22.456 ( -2.314 3.903 0.449) 4.559 24.551 ( -0.320 0.910 1.494) 1.779 24.769 ( 2.450 -5.163 -0.274) 5.722 108.575 ( -0.278 0.679 -0.177) 0.754 108.645 ( -0.201 -1.320 0.340) 1.378 109.476 ( -0.106 1.689 -0.094) 1.694 109.490 ( -0.181 1.370 -0.328) 1.420 109.793 ( 0.518 -0.411 0.793) 1.032 109.858 ( 0.461 -2.151 -1.958) 2.945 ======================= Grid point 212 (116/148) ======================= q-point: (-0.44 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 4.753 5.045 -2.388) 7.331 2.823 ( -18.144 2.892 3.580) 18.719 2.909 ( 1.037 -6.826 -1.419) 7.048 3.115 ( -0.469 -3.096 5.018) 5.915 3.462 ( 2.963 9.107 -2.704) 9.951 3.638 ( 1.227 3.015 2.349) 4.014 3.693 ( -2.439 -2.626 -0.372) 3.604 4.048 ( 5.798 7.189 6.822) 11.482 4.393 ( -8.301 -13.200 -7.967) 17.510 4.751 ( -0.507 -10.921 5.302) 12.151 5.275 ( 1.432 5.447 -3.881) 6.840 5.467 ( -2.948 5.829 -2.772) 7.096 5.484 ( 6.600 2.518 0.226) 7.068 5.651 ( -1.405 2.393 0.222) 2.784 6.001 ( 5.828 -8.968 -0.946) 10.737 6.287 ( 1.926 -8.684 -2.110) 9.142 7.723 ( -3.825 6.752 -0.525) 7.778 7.975 ( 13.058 -0.957 -2.242) 13.284 8.340 ( -1.579 12.843 -2.552) 13.188 8.840 ( -1.527 -2.826 0.355) 3.232 9.179 ( -0.223 2.682 -2.500) 3.674 9.341 ( 0.866 -2.687 -2.037) 3.481 9.658 ( 1.235 6.949 -0.298) 7.064 10.107 ( 3.553 1.779 0.338) 3.987 10.416 ( 0.339 -4.845 0.269) 4.864 10.660 ( -0.536 -11.060 -0.051) 11.073 11.099 ( -0.044 -3.719 2.558) 4.514 11.285 ( -3.810 -0.760 2.970) 4.890 11.630 ( -5.994 0.761 1.501) 6.226 11.904 ( -2.738 1.636 5.149) 6.057 12.104 ( 2.873 0.618 -2.160) 3.647 12.469 ( -0.001 0.204 1.966) 1.976 12.816 ( 4.644 -0.799 -1.647) 4.992 12.822 ( 4.203 -0.888 -1.180) 4.455 13.154 ( 2.355 0.689 3.363) 4.163 13.313 ( -2.156 -11.644 0.486) 11.852 13.526 ( 0.816 1.003 -6.293) 6.424 13.956 ( 10.054 -8.806 6.535) 14.878 14.805 ( -1.452 -1.545 -1.100) 2.388 14.925 ( -2.226 -4.307 -5.474) 7.312 15.378 ( -2.067 7.467 0.172) 7.749 15.660 ( -0.897 -5.648 -0.497) 5.741 16.253 ( -3.079 15.099 1.030) 15.444 16.340 ( -2.215 20.697 3.454) 21.100 17.100 ( -5.560 11.616 -7.978) 15.149 17.637 ( -0.950 -7.645 -0.891) 7.755 17.814 ( -3.149 -5.032 2.071) 6.287 18.294 ( -6.034 -11.656 10.830) 17.017 18.964 ( -5.456 7.817 3.333) 10.099 19.053 ( -1.941 6.023 2.110) 6.671 19.956 ( -1.102 -5.977 -3.226) 6.881 20.221 ( 2.061 -9.491 -11.130) 14.771 20.838 ( 2.486 10.616 -2.924) 11.288 21.415 ( 7.566 -7.634 -6.041) 12.330 21.842 ( 1.111 -0.690 -0.127) 1.314 22.011 ( -2.262 -3.321 3.328) 5.217 22.312 ( 0.434 6.023 4.782) 7.703 22.449 ( 1.481 3.901 0.960) 4.281 24.528 ( -1.927 1.455 2.142) 3.228 24.785 ( -0.847 -5.725 -0.707) 5.830 108.571 ( -0.050 0.727 -0.037) 0.729 108.649 ( 0.535 -1.496 0.205) 1.602 109.477 ( 0.144 1.736 -0.112) 1.745 109.491 ( 0.253 1.306 -0.340) 1.373 109.795 ( -0.384 -0.445 0.802) 0.994 109.856 ( -0.577 -1.989 -1.958) 2.850 ======================= Grid point 213 (117/148) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -12.404 5.025 -2.084) 13.545 2.486 ( 0.219 4.890 6.246) 7.936 2.900 ( -1.414 -5.711 1.056) 5.977 2.974 ( -12.849 1.524 5.633) 14.112 3.441 ( -8.031 -0.209 -4.473) 9.195 3.550 ( 0.003 2.158 -4.158) 4.684 3.742 ( -0.119 -1.449 -1.358) 1.989 4.126 ( -1.237 3.630 -0.612) 3.884 4.260 ( -1.219 -11.673 2.776) 12.061 4.689 ( -7.555 -5.952 9.650) 13.625 5.316 ( 2.697 4.781 -3.970) 6.774 5.401 ( 1.199 6.185 -2.749) 6.874 5.661 ( 3.312 3.724 -2.398) 5.531 5.733 ( 14.548 -0.193 -0.807) 14.572 6.172 ( 8.930 -6.293 -2.504) 11.208 6.356 ( 6.480 -6.939 -0.628) 9.515 7.721 ( 2.559 8.859 -0.681) 9.246 8.206 ( -3.297 4.349 -3.348) 6.403 8.342 ( 13.472 -0.614 -1.438) 13.562 8.739 ( -8.195 -3.143 -0.798) 8.813 9.209 ( 3.271 3.755 -1.621) 5.237 9.362 ( 0.832 -2.740 -0.725) 2.954 9.714 ( 3.824 7.268 -1.150) 8.293 10.214 ( 3.968 7.155 0.397) 8.191 10.434 ( 2.518 -14.270 0.233) 14.493 10.689 ( 4.734 -5.831 0.046) 7.511 11.095 ( -3.473 0.067 2.269) 4.149 11.139 ( -7.542 3.287 2.748) 8.674 11.476 ( -7.199 -1.946 2.152) 7.762 11.810 ( -6.201 -5.196 3.325) 8.747 12.159 ( 2.955 0.911 -2.758) 4.143 12.461 ( -1.316 6.376 0.479) 6.528 12.834 ( -2.173 -4.594 -3.249) 6.032 12.936 ( 5.163 -1.018 -5.900) 7.906 13.252 ( 5.325 2.982 3.818) 7.199 13.300 ( 2.912 -11.353 1.247) 11.786 13.614 ( 7.739 4.566 -3.022) 9.480 14.215 ( 11.907 -12.873 2.564) 17.722 14.751 ( -3.562 -2.761 1.186) 4.660 14.880 ( -1.586 -6.181 -3.211) 7.144 15.287 ( -6.137 7.178 -0.105) 9.444 15.616 ( -3.274 -6.407 -0.393) 7.206 16.138 ( -7.725 15.756 1.234) 17.591 16.270 ( -4.333 18.398 3.961) 19.312 16.915 ( -10.635 13.267 -5.884) 17.992 17.517 ( -10.218 -5.232 -3.106) 11.893 17.754 ( -3.207 -5.028 4.837) 7.679 18.113 ( -10.369 -11.854 9.800) 18.549 18.841 ( -6.108 9.036 5.493) 12.212 19.067 ( 2.324 4.365 1.656) 5.215 19.930 ( -0.528 -5.763 -3.359) 6.691 20.238 ( 0.256 -11.849 -7.103) 13.817 20.886 ( 2.561 13.393 -6.255) 15.002 21.579 ( 7.775 -7.603 -9.576) 14.490 21.888 ( 2.607 -0.089 2.424) 3.561 21.992 ( 0.769 -4.336 3.537) 5.648 22.344 ( 2.111 7.214 5.240) 9.163 22.507 ( 3.676 3.303 0.716) 4.994 24.475 ( -3.257 1.445 2.275) 4.227 24.735 ( -3.764 -5.842 -1.378) 7.085 108.573 ( 0.223 0.843 0.101) 0.878 108.668 ( 1.228 -1.964 0.241) 2.328 109.483 ( 0.436 1.935 -0.196) 1.993 109.499 ( 0.543 1.273 -0.404) 1.442 109.779 ( -1.123 -0.524 0.837) 1.495 109.830 ( -1.639 -1.744 -1.926) 3.072 ======================= Grid point 214 (118/148) ======================= q-point: (-0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -12.152 13.002 5.380) 18.592 2.492 ( -12.479 6.977 13.591) 19.726 2.766 ( 0.188 -0.337 -3.548) 3.569 2.861 ( -2.217 -5.802 2.186) 6.584 3.206 ( -9.369 3.973 -0.076) 10.177 3.570 ( -10.378 -5.798 -7.329) 13.966 3.630 ( 1.560 -6.758 -5.722) 8.991 4.105 ( -0.518 -8.797 -7.019) 11.266 4.213 ( -6.093 1.290 10.978) 12.622 4.555 ( -2.196 0.731 12.105) 12.324 5.376 ( 3.011 3.301 -6.825) 8.158 5.515 ( 7.636 3.724 -4.757) 9.737 5.744 ( 5.733 9.693 -1.414) 11.350 6.087 ( 17.411 -2.466 -1.196) 17.625 6.328 ( 6.544 -0.847 -2.268) 6.978 6.566 ( 11.363 -5.088 1.031) 12.493 7.784 ( 2.923 7.187 -1.491) 7.900 8.074 ( -6.084 3.111 -3.202) 7.547 8.529 ( -10.517 -4.047 -0.502) 11.280 8.643 ( 12.595 -9.601 -0.748) 15.855 9.289 ( 3.458 1.540 -1.131) 3.951 9.356 ( -1.529 -2.745 1.118) 3.335 9.787 ( 1.922 7.419 -2.264) 7.991 10.229 ( -1.031 2.771 0.065) 2.957 10.549 ( 7.607 -3.194 -0.343) 8.257 10.814 ( -2.774 1.042 2.257) 3.725 10.893 ( -2.091 -1.430 1.472) 2.930 11.135 ( 3.580 0.710 1.008) 3.786 11.362 ( -3.156 -4.740 0.987) 5.780 11.685 ( -5.403 -8.615 2.018) 10.367 12.209 ( 1.171 3.492 -3.195) 4.876 12.422 ( -1.981 9.573 -0.416) 9.785 12.727 ( -5.191 -1.004 -5.459) 7.600 13.037 ( 3.797 0.093 -3.075) 4.887 13.356 ( 4.454 -1.292 2.211) 5.137 13.424 ( 6.928 -9.228 0.309) 11.544 13.805 ( 9.428 4.219 -0.428) 10.337 14.347 ( -0.545 -10.626 -5.455) 11.957 14.666 ( -7.237 -5.329 1.141) 9.059 14.841 ( -1.177 -8.949 3.914) 9.838 15.179 ( -2.459 3.828 -0.081) 4.551 15.527 ( -4.941 -7.998 -0.069) 9.401 15.941 ( -10.184 17.546 2.920) 20.497 16.199 ( -2.160 12.549 4.488) 13.501 16.704 ( -7.327 14.720 -3.942) 16.908 17.244 ( -14.282 -0.706 -1.628) 14.392 17.644 ( -8.327 -2.681 3.806) 9.540 17.938 ( -5.953 -13.498 7.039) 16.346 18.738 ( -3.802 10.952 7.672) 13.902 19.124 ( 2.807 3.479 -2.060) 4.922 19.944 ( 2.068 -5.801 -1.168) 6.268 20.227 ( -0.806 -13.347 -2.932) 13.689 20.929 ( 1.921 14.969 -9.778) 17.982 21.700 ( 4.307 -6.712 -9.617) 12.493 21.931 ( 1.005 -0.882 3.921) 4.142 22.064 ( 5.553 -4.053 2.042) 7.171 22.404 ( 3.176 8.237 5.374) 10.335 22.589 ( 3.760 2.702 0.531) 4.660 24.400 ( -3.839 1.028 2.221) 4.552 24.634 ( -5.430 -5.450 -2.039) 7.959 108.580 ( 0.390 0.988 0.213) 1.084 108.697 ( 1.421 -2.670 0.305) 3.040 109.494 ( 0.655 2.130 -0.435) 2.271 109.511 ( 0.570 1.334 -0.496) 1.533 109.752 ( -1.417 -0.628 0.855) 1.770 109.788 ( -2.125 -1.320 -1.602) 2.971 ======================= Grid point 215 (119/148) ======================= q-point: (-0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -4.116 17.926 9.219) 20.574 2.138 ( -17.114 10.579 14.151) 24.598 2.721 ( -6.007 7.894 -1.102) 9.981 2.807 ( -4.023 -9.186 3.427) 10.598 3.211 ( 8.255 -1.525 1.717) 8.568 3.288 ( -12.057 -8.241 -5.495) 15.604 3.686 ( 2.509 -6.885 -5.418) 9.114 4.068 ( -2.058 -9.745 -6.962) 12.152 4.075 ( -6.330 9.446 12.270) 16.729 4.626 ( 6.497 -2.267 9.320) 11.585 5.404 ( -0.362 3.488 -13.297) 13.752 5.621 ( 2.672 -1.223 -5.077) 5.867 5.928 ( 10.304 16.946 0.553) 19.840 6.380 ( 8.504 -0.142 0.842) 8.547 6.447 ( 4.816 2.811 -1.640) 5.813 6.756 ( 5.748 -3.569 1.297) 6.889 7.837 ( 2.501 1.106 -2.646) 3.805 7.972 ( -3.519 -2.339 -2.152) 4.742 8.348 ( -5.668 -3.743 0.337) 6.800 8.865 ( 8.696 -13.100 -0.804) 15.744 9.278 ( -3.749 -4.555 -0.961) 5.977 9.350 ( 0.539 -2.475 3.096) 4.000 9.765 ( -2.971 6.682 -2.137) 7.618 10.181 ( -3.667 1.097 -0.318) 3.841 10.617 ( -5.435 5.449 0.539) 7.715 10.774 ( 8.637 4.129 0.217) 9.576 10.946 ( 3.946 1.766 1.144) 4.472 11.224 ( -0.695 -2.964 1.178) 3.264 11.417 ( 9.032 -9.635 -1.018) 13.246 11.594 ( -2.643 -5.718 1.127) 6.399 12.195 ( -2.176 5.014 -5.267) 7.590 12.332 ( -6.187 5.569 -0.855) 8.368 12.721 ( 5.136 7.445 -1.335) 9.142 13.051 ( -2.961 1.416 -0.830) 3.386 13.408 ( 0.085 -1.551 1.137) 1.926 13.561 ( 5.395 -9.634 0.700) 11.063 13.961 ( 4.458 2.229 -0.023) 4.984 14.227 ( -11.158 -4.110 -6.956) 13.776 14.420 ( -9.344 -1.109 0.389) 9.417 14.863 ( 1.124 -16.714 7.128) 18.205 15.146 ( -2.477 0.464 -1.628) 3.000 15.429 ( -3.837 -9.709 0.659) 10.460 15.789 ( -3.055 17.410 3.498) 18.019 16.188 ( 0.455 5.690 4.317) 7.157 16.655 ( 2.490 12.523 -2.179) 12.953 16.974 ( -9.720 4.627 -0.218) 10.767 17.436 ( -10.177 0.605 1.476) 10.301 17.870 ( -1.583 -14.445 5.187) 15.430 18.708 ( 0.446 12.001 9.148) 15.097 19.180 ( 2.916 4.420 -7.475) 9.161 20.008 ( 3.661 -6.403 2.037) 7.652 20.202 ( -1.417 -13.478 -0.855) 13.580 20.935 ( -1.080 15.369 -11.441) 19.191 21.744 ( 0.335 -6.056 -7.659) 9.770 21.940 ( -0.111 0.136 5.189) 5.192 22.186 ( 4.879 -3.759 1.113) 6.258 22.489 ( 4.575 7.252 2.846) 9.034 22.654 ( 2.260 2.346 0.435) 3.286 24.330 ( -2.563 0.581 2.372) 3.541 24.522 ( -4.603 -4.479 -2.285) 6.817 108.588 ( 0.329 1.089 0.297) 1.176 108.721 ( 0.637 -3.230 0.470) 3.325 109.507 ( 0.510 2.196 -0.795) 2.391 109.520 ( 0.312 1.462 -0.598) 1.610 109.725 ( -1.132 -0.643 0.723) 1.489 109.750 ( -1.111 -0.954 -0.986) 1.765 ======================= Grid point 216 (120/148) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -3.319 14.989 8.402) 17.501 2.229 ( -1.438 11.510 15.587) 19.430 2.470 ( -1.983 -10.976 6.344) 12.832 2.599 ( -2.956 -14.925 4.610) 15.898 3.226 ( -0.708 20.835 -3.400) 21.123 3.452 ( 1.489 7.033 -5.301) 8.932 3.581 ( 2.419 -8.901 -6.805) 11.463 3.677 ( -2.035 -18.906 -6.733) 20.172 4.373 ( 4.217 15.463 14.079) 21.333 4.634 ( 6.523 -11.134 10.481) 16.624 5.447 ( -3.629 6.669 -14.421) 16.298 5.565 ( -1.774 -5.030 -9.459) 10.859 6.342 ( -1.860 10.170 1.088) 10.396 6.448 ( -2.474 -1.381 1.688) 3.298 6.606 ( 0.241 6.365 1.533) 6.551 6.726 ( 0.292 -5.532 1.860) 5.843 7.792 ( -0.938 -2.896 -2.329) 3.833 7.809 ( 0.025 -4.235 -1.838) 4.617 8.404 ( 1.069 10.397 -0.474) 10.463 8.667 ( 0.046 -15.336 -0.682) 15.351 9.168 ( -0.747 0.924 0.622) 1.341 9.239 ( 0.361 -5.800 1.681) 6.050 9.882 ( -0.153 9.465 -1.488) 9.583 10.058 ( 0.532 -7.703 -0.891) 7.773 10.715 ( 0.689 9.284 -1.024) 9.366 10.919 ( 0.644 -10.704 -0.892) 10.761 11.075 ( 0.163 11.949 1.065) 11.997 11.258 ( -0.480 9.230 -0.593) 9.262 11.322 ( 1.498 -11.003 0.855) 11.137 11.448 ( -1.849 -9.213 -1.162) 9.468 12.234 ( -3.237 6.330 -2.413) 7.508 12.305 ( -0.200 -1.027 -3.212) 3.378 12.990 ( 0.464 3.938 1.322) 4.180 13.021 ( -5.218 4.160 2.137) 7.008 13.346 ( 0.916 1.686 2.559) 3.198 13.483 ( 0.959 -8.549 5.501) 10.211 13.963 ( -8.745 1.916 -2.071) 9.189 13.996 ( -4.511 -0.786 -0.514) 4.608 14.371 ( 2.346 3.458 1.274) 4.369 14.539 ( 4.434 -14.440 0.551) 15.115 15.137 ( -1.038 3.306 1.408) 3.740 15.225 ( -0.615 -6.032 1.415) 6.227 16.097 ( 3.093 10.767 0.992) 11.247 16.230 ( 2.516 -2.995 1.686) 4.260 16.850 ( -0.810 8.529 -0.902) 8.614 16.963 ( 1.545 -2.170 -1.629) 3.122 17.412 ( 0.764 7.636 1.903) 7.907 17.605 ( 1.023 -11.875 3.167) 12.332 19.031 ( 3.769 13.944 4.746) 15.204 19.250 ( 3.860 -6.099 -4.846) 8.694 19.942 ( 0.606 -1.856 1.563) 2.501 20.008 ( 2.115 -6.817 -2.564) 7.584 21.165 ( -5.724 15.970 -8.297) 18.885 21.464 ( -5.453 -14.023 -6.970) 16.582 22.063 ( 2.091 6.024 1.905) 6.655 22.171 ( 1.520 -4.747 0.335) 4.996 22.650 ( 0.443 3.543 3.177) 4.779 22.699 ( 0.570 -1.112 2.095) 2.439 24.337 ( 0.846 1.830 0.359) 2.048 24.388 ( -0.287 -3.213 -1.223) 3.450 108.622 ( -0.016 1.840 0.552) 1.921 108.665 ( -0.221 -2.575 0.842) 2.718 109.542 ( 0.015 0.957 -0.537) 1.098 109.546 ( -0.113 0.665 -0.699) 0.972 109.707 ( -0.019 0.267 -0.108) 0.289 109.722 ( 0.344 -1.148 -0.728) 1.402 ======================= Grid point 217 (121/148) ======================= q-point: ( 0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -1.699 17.140 12.418) 21.234 2.301 ( 7.795 5.723 16.312) 18.963 2.505 ( 3.078 -9.205 10.168) 14.056 2.582 ( 3.312 -14.162 3.863) 15.048 3.269 ( 5.135 15.714 -4.889) 17.239 3.402 ( -2.999 4.540 -6.986) 8.856 3.608 ( -0.300 -6.224 -8.355) 10.423 3.683 ( 2.161 -14.108 -6.925) 15.864 4.514 ( 7.697 15.516 12.352) 21.274 4.790 ( 6.912 -12.455 7.054) 15.895 5.336 ( -5.081 9.034 -11.732) 15.654 5.489 ( -4.279 -6.406 -8.323) 11.341 6.156 ( -13.300 8.981 1.362) 16.106 6.275 ( -13.052 -3.362 1.775) 13.594 6.529 ( -7.741 7.000 2.231) 10.672 6.660 ( -7.447 -5.853 2.305) 9.749 7.829 ( 4.189 1.094 -1.963) 4.754 7.886 ( 5.923 -3.982 -0.726) 7.174 8.420 ( 1.307 5.556 -1.492) 5.900 8.596 ( -5.359 -11.675 -0.635) 12.862 9.216 ( 4.149 2.119 0.548) 4.691 9.306 ( 4.208 -6.345 0.275) 7.619 9.908 ( 2.058 10.685 -1.310) 10.960 10.109 ( 3.253 -8.946 -1.210) 9.596 10.781 ( 4.941 7.591 -0.701) 9.084 10.917 ( -4.309 -0.785 -0.802) 4.452 10.964 ( -4.795 7.334 0.350) 8.770 11.205 ( -11.090 -12.025 -0.830) 16.379 11.258 ( 0.243 5.380 1.005) 5.479 11.412 ( 0.161 -9.214 1.602) 9.353 12.227 ( 2.272 8.556 -0.997) 8.909 12.347 ( 3.876 -3.622 -2.616) 5.914 12.814 ( -11.659 8.266 3.618) 14.742 12.939 ( -7.248 -4.110 4.085) 9.280 13.386 ( 2.021 1.216 0.335) 2.382 13.461 ( -2.604 -4.445 1.810) 5.461 13.847 ( -4.024 -0.916 6.060) 7.332 13.868 ( -5.767 -2.508 3.833) 7.365 14.509 ( 9.769 6.956 -0.977) 12.032 14.698 ( 8.325 -12.194 -1.392) 14.830 15.156 ( 2.770 4.229 1.473) 5.265 15.260 ( 3.883 -6.630 1.041) 7.754 16.191 ( 5.579 9.856 -0.432) 11.334 16.320 ( 5.403 -3.415 0.305) 6.399 16.873 ( 3.610 11.750 -2.052) 12.462 17.035 ( 5.321 -4.040 -2.725) 7.215 17.514 ( 8.075 5.389 1.989) 9.910 17.669 ( 4.741 -10.489 3.017) 11.899 19.125 ( 4.633 12.429 1.225) 13.321 19.319 ( 2.918 -4.887 -8.691) 10.389 19.943 ( -0.462 0.618 -0.344) 0.844 20.047 ( 1.537 -7.686 -2.902) 8.358 21.014 ( -7.410 15.690 -2.508) 17.532 21.314 ( -7.917 -14.455 -1.989) 16.601 22.087 ( 0.035 4.965 -0.114) 4.967 22.168 ( -1.562 -3.418 -0.729) 3.828 22.629 ( -2.566 3.738 3.324) 5.622 22.692 ( -1.602 -2.144 1.046) 2.873 24.396 ( 4.450 0.269 -0.119) 4.459 24.416 ( 2.787 -1.693 -1.256) 3.494 108.618 ( -0.326 1.641 0.441) 1.730 108.656 ( -0.661 -2.184 0.884) 2.447 109.537 ( -0.462 1.021 -0.573) 1.258 109.540 ( -0.380 0.701 -0.420) 0.901 109.718 ( 0.969 0.497 -0.144) 1.098 109.740 ( 1.272 -1.673 -0.939) 2.302 ======================= Grid point 218 (122/148) ======================= q-point: ( 0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 0.351 13.553 12.161) 18.213 2.420 ( 0.318 -11.752 8.912) 14.753 2.646 ( 12.211 4.890 15.871) 20.614 2.791 ( 13.042 -8.577 7.836) 17.465 3.328 ( 1.228 8.850 -6.697) 11.166 3.479 ( 10.591 3.688 -7.815) 13.669 3.568 ( -2.495 -3.907 -9.270) 10.365 3.728 ( 2.902 -9.819 -6.550) 12.154 4.674 ( 5.263 11.749 7.330) 14.814 4.893 ( 1.256 -10.128 0.176) 10.207 5.259 ( -0.533 8.726 -3.716) 9.499 5.401 ( -2.842 -5.616 -5.272) 8.211 5.870 ( -12.483 6.559 0.403) 14.107 5.963 ( -15.035 -2.985 0.930) 15.357 6.311 ( -12.302 5.211 1.974) 13.506 6.431 ( -13.449 -6.439 2.386) 15.100 7.916 ( 3.180 6.554 -1.442) 7.426 8.027 ( 6.951 -3.247 0.131) 7.673 8.475 ( -1.002 -2.819 -0.188) 2.998 8.486 ( 0.138 -4.124 -1.639) 4.440 9.284 ( 1.311 2.481 -0.961) 2.966 9.356 ( 0.028 -4.253 -1.764) 4.605 9.938 ( 0.559 11.087 -0.838) 11.133 10.154 ( 1.239 -10.148 -0.705) 10.248 10.632 ( -13.148 9.121 -0.953) 16.031 10.786 ( -13.091 -6.460 -1.210) 14.648 11.029 ( 11.232 6.650 0.825) 13.079 11.135 ( 2.799 -1.850 1.740) 3.780 11.297 ( 5.551 0.413 1.597) 5.791 11.433 ( 2.352 -12.191 1.775) 12.542 12.301 ( 3.869 9.509 -0.545) 10.280 12.437 ( 3.666 -3.566 -0.932) 5.199 12.598 ( -7.118 7.257 4.590) 11.153 12.756 ( -8.799 -8.000 5.019) 12.908 13.363 ( -4.415 0.953 -2.039) 4.956 13.411 ( -2.742 -2.787 -1.375) 4.145 13.720 ( -6.028 2.566 6.533) 9.252 13.819 ( -2.379 -7.068 9.146) 11.801 14.708 ( 7.818 5.193 -1.864) 9.569 14.834 ( 4.595 -7.526 -2.667) 9.212 15.250 ( 5.855 5.475 0.664) 8.043 15.373 ( 6.094 -7.106 0.270) 9.365 16.327 ( 7.071 10.237 0.159) 12.443 16.437 ( 5.555 -0.294 1.446) 5.747 16.999 ( 7.943 10.759 -4.178) 14.011 17.175 ( 7.710 -6.009 -2.631) 10.123 17.705 ( 8.623 2.365 1.883) 9.138 17.805 ( 7.935 -7.907 3.630) 11.776 19.215 ( 3.620 9.599 -2.121) 10.475 19.350 ( 0.603 -1.932 -10.360) 10.556 19.923 ( -1.265 2.764 -2.611) 4.007 20.059 ( -0.172 -8.679 -4.667) 9.856 20.889 ( -3.797 13.326 2.291) 14.044 21.157 ( -6.272 -13.767 2.284) 15.299 22.061 ( -2.506 3.433 -1.302) 4.445 22.115 ( -3.022 -2.387 -1.487) 4.128 22.559 ( -4.054 4.484 3.690) 7.081 22.633 ( -3.812 -2.479 0.913) 4.638 24.486 ( 3.652 0.050 -0.666) 3.712 24.505 ( 5.409 -1.758 -0.601) 5.719 108.610 ( -0.448 1.374 0.184) 1.457 108.641 ( -0.764 -1.757 0.647) 2.022 109.525 ( -0.622 1.123 -0.396) 1.343 109.530 ( -0.534 0.582 -0.352) 0.865 109.744 ( 1.442 0.573 -0.062) 1.553 109.769 ( 1.514 -1.924 -1.018) 2.651 ======================= Grid point 219 (123/148) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 5.691 9.752 7.861) 13.758 2.451 ( 3.709 -13.247 4.217) 14.388 2.930 ( 11.814 8.100 11.922) 18.636 3.070 ( 11.891 -6.119 12.148) 18.067 3.377 ( 2.082 5.908 -3.345) 7.101 3.501 ( -1.940 -3.623 -8.683) 9.606 3.684 ( 7.337 3.692 -5.336) 9.795 3.824 ( 7.264 -7.580 -6.453) 12.323 4.673 ( -6.054 7.227 -0.326) 9.434 4.816 ( -7.800 -7.106 -2.101) 10.759 5.315 ( 4.624 4.685 1.015) 6.660 5.381 ( 1.086 -1.585 -1.564) 2.477 5.680 ( -5.735 3.365 -0.253) 6.654 5.723 ( -6.524 -0.527 -0.647) 6.577 6.057 ( -10.869 2.535 0.306) 11.165 6.164 ( -10.118 -7.409 1.327) 12.611 7.931 ( -1.804 8.607 -2.104) 9.042 8.102 ( -3.032 -7.981 -1.145) 8.614 8.412 ( 1.743 9.639 0.924) 9.839 8.597 ( 6.119 -8.419 0.809) 10.440 9.270 ( -1.640 2.195 -2.654) 3.815 9.321 ( -2.205 -2.768 -2.650) 4.421 9.923 ( -1.916 11.909 -0.764) 12.086 10.169 ( -0.984 -12.883 -0.149) 12.921 10.389 ( -7.899 8.687 -0.489) 11.751 10.557 ( -7.489 -8.175 -0.593) 11.103 11.130 ( -1.357 3.790 2.232) 4.603 11.208 ( 2.282 -2.048 2.238) 3.796 11.497 ( 11.722 1.291 0.987) 11.834 11.593 ( 12.191 -8.657 2.402) 15.144 12.315 ( -2.905 11.057 0.531) 11.445 12.445 ( -1.378 -0.199 3.053) 3.355 12.607 ( 4.123 -1.048 2.631) 5.002 12.650 ( 0.316 -6.469 2.617) 6.986 13.244 ( -6.232 1.275 -0.581) 6.388 13.310 ( -6.150 -5.067 -1.630) 8.134 13.624 ( -3.435 5.607 3.259) 7.339 13.762 ( -3.432 -8.247 7.830) 11.879 14.816 ( 2.939 3.113 -3.408) 5.472 14.894 ( 1.623 -4.581 -4.697) 6.759 15.380 ( 5.766 5.248 0.652) 7.824 15.489 ( 4.507 -5.980 0.267) 7.493 16.467 ( 5.776 11.425 1.294) 12.867 16.556 ( 5.389 4.017 3.011) 7.365 17.161 ( 7.007 7.033 -4.572) 10.930 17.329 ( 6.542 -8.434 -1.972) 10.854 17.843 ( 4.217 4.353 1.795) 6.321 17.983 ( 7.556 -8.791 4.858) 12.569 19.253 ( -0.252 6.749 -2.921) 7.358 19.323 ( -2.573 1.059 -7.679) 8.167 19.899 ( -0.225 3.045 -4.253) 5.235 20.040 ( -0.780 -9.043 -7.276) 11.633 20.869 ( 1.511 9.876 2.869) 10.395 21.078 ( -1.179 -11.437 3.385) 11.986 21.985 ( -4.134 3.422 -1.699) 5.628 22.051 ( -2.951 -3.120 -1.369) 4.507 22.478 ( -3.644 4.727 3.973) 7.170 22.547 ( -4.050 -1.816 1.579) 4.711 24.554 ( 2.566 1.693 -0.101) 3.076 24.607 ( 4.066 -3.576 -0.328) 5.425 108.601 ( -0.438 1.167 -0.025) 1.246 108.627 ( -0.602 -1.463 0.318) 1.614 109.512 ( -0.499 1.090 -0.274) 1.230 109.518 ( -0.499 0.503 -0.297) 0.768 109.773 ( 1.253 0.558 0.020) 1.372 109.798 ( 1.257 -1.907 -0.991) 2.489 ======================= Grid point 220 (124/148) ======================= q-point: ( 0.44 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 7.875 8.958 2.188) 12.126 2.586 ( 7.802 -12.056 1.208) 14.411 3.068 ( -1.143 5.321 3.353) 6.392 3.189 ( -6.090 -5.758 2.455) 8.734 3.424 ( 8.490 7.511 8.809) 14.356 3.557 ( 6.708 -5.382 1.747) 8.776 3.783 ( 2.773 9.317 -5.248) 11.047 3.957 ( 4.349 -6.720 -1.797) 8.204 4.497 ( -8.917 3.550 -6.164) 11.406 4.620 ( -8.724 -8.494 -0.191) 12.177 5.389 ( 1.414 5.564 -2.644) 6.320 5.429 ( 3.950 1.946 0.463) 4.428 5.587 ( -3.444 1.376 -0.154) 3.711 5.651 ( -2.318 -4.807 0.468) 5.357 5.915 ( -1.813 4.618 -1.674) 5.235 6.066 ( 0.106 -9.335 -0.924) 9.381 7.874 ( -1.567 4.471 -2.515) 5.364 7.940 ( -8.155 -2.097 -2.280) 8.723 8.526 ( 5.800 11.084 1.566) 12.607 8.714 ( 4.155 -7.795 1.980) 9.052 9.239 ( -0.810 2.246 -3.105) 3.917 9.287 ( -0.626 -2.605 -2.812) 3.884 9.869 ( -2.534 12.113 -0.844) 12.404 10.087 ( -3.985 -7.369 -0.975) 8.434 10.341 ( 0.549 1.119 0.965) 1.576 10.462 ( -2.116 -9.169 0.111) 9.411 11.101 ( -0.903 3.663 2.118) 4.326 11.210 ( -0.539 -6.353 2.383) 6.806 11.713 ( 6.224 4.707 1.348) 7.919 11.814 ( 6.297 -5.306 3.051) 8.782 12.257 ( -1.703 9.957 0.943) 10.146 12.405 ( -1.282 -4.535 2.476) 5.323 12.689 ( 3.923 0.437 1.807) 4.342 12.735 ( 4.529 -3.961 0.856) 6.077 13.131 ( -3.611 0.397 1.050) 3.781 13.196 ( -3.536 -5.591 -0.234) 6.620 13.587 ( 0.011 5.695 -1.279) 5.837 13.716 ( -0.455 -7.151 4.896) 8.678 14.838 ( -0.336 2.349 -4.027) 4.674 14.898 ( -0.831 -3.473 -5.371) 6.450 15.472 ( 2.647 4.194 0.696) 5.008 15.556 ( 1.777 -4.639 0.264) 4.975 16.556 ( 2.179 12.529 2.137) 12.896 16.643 ( 2.049 6.135 3.606) 7.406 17.264 ( 2.851 5.103 -4.555) 7.411 17.430 ( 3.044 -10.164 -1.867) 10.773 17.883 ( -0.516 7.656 2.792) 8.166 18.090 ( 1.633 -11.671 6.761) 13.586 19.198 ( -4.331 5.178 -0.939) 6.815 19.234 ( -5.041 2.134 -2.519) 6.026 19.908 ( 0.892 1.976 -4.793) 5.260 20.027 ( 0.231 -8.581 -8.953) 12.404 20.938 ( 4.519 8.481 0.002) 9.610 21.114 ( 4.269 -9.501 0.093) 10.417 21.905 ( -2.990 3.948 -1.013) 5.054 21.989 ( -2.797 -4.236 -0.097) 5.077 22.424 ( -1.605 4.583 4.020) 6.304 22.483 ( -1.892 -1.034 2.317) 3.165 24.588 ( 0.585 2.984 0.516) 3.085 24.667 ( 1.582 -4.897 -0.134) 5.148 108.593 ( -0.264 1.116 -0.070) 1.149 108.618 ( -0.233 -1.393 0.114) 1.417 109.505 ( -0.177 1.005 -0.224) 1.045 109.510 ( -0.206 0.482 -0.249) 0.581 109.793 ( 0.539 0.552 0.018) 0.772 109.817 ( 0.541 -1.827 -0.982) 2.144 ======================= Grid point 221 (125/148) ======================= q-point: (-0.44 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 2.560 8.539 -3.104) 9.440 2.686 ( -1.657 -10.204 -3.774) 11.005 2.934 ( -7.593 4.126 6.477) 10.799 3.030 ( -5.134 -5.276 6.951) 10.124 3.619 ( 4.786 4.515 3.848) 7.622 3.663 ( 2.258 -0.440 2.211) 3.191 3.766 ( -4.499 10.829 -6.049) 13.195 4.016 ( 0.134 -11.853 -0.458) 11.863 4.319 ( -5.109 7.397 -2.407) 9.307 4.521 ( -0.590 -11.768 3.231) 12.218 5.408 ( 1.303 7.573 -4.856) 9.090 5.516 ( 0.886 -1.513 -4.514) 4.843 5.549 ( 2.801 3.593 0.805) 4.627 5.632 ( 1.228 -4.608 3.353) 5.830 5.941 ( 4.341 4.326 -2.157) 6.497 6.099 ( 2.535 -9.879 -2.110) 10.415 7.849 ( 0.705 5.696 -1.489) 5.930 7.937 ( 7.280 -3.174 -2.057) 8.204 8.573 ( -2.062 10.595 -0.299) 10.798 8.746 ( -1.652 -6.851 0.711) 7.083 9.235 ( 0.788 2.800 -2.883) 4.096 9.288 ( 0.882 -2.662 -2.596) 3.822 9.847 ( 0.887 11.962 -0.149) 11.995 10.076 ( 3.093 -8.335 -0.609) 8.911 10.334 ( -1.149 1.480 1.217) 2.234 10.461 ( 2.031 -9.179 0.071) 9.401 11.107 ( 1.267 4.009 1.824) 4.583 11.214 ( 0.456 -5.678 2.222) 6.114 11.690 ( -8.193 5.060 1.960) 9.827 11.810 ( -6.854 -6.735 2.737) 9.992 12.261 ( 2.083 10.583 0.731) 10.811 12.432 ( 3.519 -5.318 1.507) 6.553 12.771 ( 3.807 -1.337 -1.052) 4.170 12.791 ( 0.549 -2.908 -1.299) 3.232 13.121 ( 2.456 0.380 1.423) 2.864 13.178 ( 1.622 -4.259 0.961) 4.658 13.628 ( 4.252 7.436 -2.786) 9.008 13.786 ( 6.896 -8.411 2.759) 11.221 14.803 ( -2.560 1.370 -2.820) 4.047 14.852 ( -3.094 -3.302 -4.056) 6.077 15.484 ( -1.671 4.063 0.263) 4.401 15.562 ( -1.259 -4.295 0.008) 4.476 16.547 ( -3.295 12.566 2.252) 13.185 16.635 ( -3.251 6.211 3.784) 7.967 17.263 ( -2.745 6.633 -4.856) 8.667 17.447 ( -1.454 -11.096 -2.526) 11.472 17.834 ( -4.067 7.840 4.928) 10.114 18.053 ( -5.642 -12.577 8.682) 16.291 19.100 ( -4.627 5.105 1.932) 7.156 19.136 ( -3.378 1.630 1.068) 3.900 19.907 ( -0.764 1.795 -4.861) 5.238 20.026 ( -0.049 -9.282 -8.112) 12.327 21.044 ( 5.456 10.314 -3.981) 12.329 21.241 ( 7.415 -9.662 -4.946) 13.145 21.871 ( -0.134 2.972 0.606) 3.036 21.940 ( -1.750 -3.788 2.091) 4.667 22.421 ( 1.002 4.643 3.929) 6.164 22.478 ( 1.192 -0.868 2.488) 2.892 24.578 ( -1.585 3.674 0.805) 4.081 24.671 ( -1.204 -5.591 -0.215) 5.723 108.591 ( 0.065 1.219 0.018) 1.221 108.618 ( 0.263 -1.547 0.107) 1.573 109.505 ( 0.218 0.978 -0.232) 1.028 109.510 ( 0.222 0.481 -0.244) 0.583 109.794 ( -0.405 0.522 -0.023) 0.661 109.817 ( -0.457 -1.724 -1.022) 2.056 ======================= Grid point 222 (126/148) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -5.477 3.010 -3.458) 7.143 2.533 ( -4.607 -1.216 1.230) 4.921 2.862 ( -2.555 2.790 7.790) 8.660 2.954 ( -5.628 -4.350 9.455) 11.832 3.512 ( -9.864 7.591 -6.685) 14.128 3.653 ( -5.828 1.338 -6.529) 8.853 3.677 ( -4.623 1.449 -2.278) 5.353 3.907 ( -4.731 -14.774 -7.477) 17.221 4.340 ( 2.434 9.458 10.391) 14.260 4.532 ( -0.977 -9.498 9.635) 13.565 5.434 ( 1.221 5.583 -5.452) 7.899 5.483 ( 0.498 1.212 -5.995) 6.137 5.702 ( 8.617 1.822 -0.514) 8.822 5.738 ( 10.134 -0.908 0.492) 10.187 6.108 ( 10.874 1.032 -1.282) 10.998 6.205 ( 8.723 -7.536 -0.681) 11.548 7.917 ( 4.153 10.559 -1.312) 11.422 8.117 ( 7.030 -9.181 -1.705) 11.689 8.471 ( -5.386 9.397 -1.446) 10.927 8.638 ( -8.091 -7.068 -0.824) 10.775 9.271 ( 2.557 2.595 -2.597) 4.474 9.316 ( 1.519 -2.135 -1.765) 3.160 9.897 ( 3.318 11.282 -0.127) 11.760 10.148 ( 1.205 -14.051 0.585) 14.115 10.378 ( 7.794 8.911 -0.050) 11.839 10.550 ( 6.610 -8.218 -0.263) 10.550 11.139 ( 0.704 4.166 1.731) 4.566 11.192 ( -4.305 0.311 2.554) 5.015 11.460 ( -11.068 1.733 1.929) 11.368 11.592 ( -11.539 -11.367 1.532) 16.270 12.327 ( 3.350 11.567 0.250) 12.045 12.513 ( 2.831 -4.251 0.215) 5.112 12.764 ( -1.829 0.397 -3.293) 3.788 12.850 ( 4.208 -6.283 -4.595) 8.849 13.206 ( 4.517 0.842 1.136) 4.733 13.250 ( 4.704 -2.313 1.686) 5.507 13.763 ( 8.290 9.759 -2.055) 12.969 13.975 ( 9.569 -11.566 0.494) 15.019 14.729 ( -4.367 0.596 -0.268) 4.416 14.776 ( -3.622 -4.072 -0.994) 5.540 15.402 ( -5.862 5.034 -0.179) 7.729 15.501 ( -4.511 -5.293 -0.167) 6.956 16.428 ( -7.945 11.746 2.488) 14.397 16.517 ( -7.846 4.418 3.892) 9.810 17.144 ( -7.657 10.637 -4.371) 13.816 17.358 ( -6.785 -10.487 -3.376) 12.939 17.737 ( -5.341 4.258 6.569) 9.476 17.893 ( -9.344 -10.290 8.979) 16.547 19.016 ( -3.408 7.685 4.011) 9.315 19.106 ( 0.049 -1.052 2.088) 2.339 19.881 ( -0.899 1.678 -3.990) 4.420 20.007 ( -1.094 -10.378 -5.424) 11.761 21.152 ( 5.019 13.255 -7.953) 16.253 21.393 ( 7.149 -11.082 -9.339) 16.160 21.899 ( 2.367 1.054 2.735) 3.768 21.929 ( 0.856 -2.169 3.684) 4.360 22.467 ( 2.902 5.005 3.990) 7.028 22.529 ( 3.224 -1.094 2.384) 4.156 24.524 ( -3.453 3.695 0.747) 5.112 24.618 ( -3.636 -5.661 -0.554) 6.751 108.596 ( 0.407 1.441 0.169) 1.507 108.629 ( 0.730 -1.903 0.230) 2.051 109.513 ( 0.550 1.018 -0.302) 1.196 109.519 ( 0.564 0.485 -0.306) 0.805 109.777 ( -1.214 0.405 -0.033) 1.280 109.797 ( -1.379 -1.525 -1.033) 2.301 ======================= Grid point 223 (127/148) ======================= q-point: (-0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -5.311 10.932 4.289) 12.888 2.546 ( 1.724 -8.947 3.665) 9.821 2.701 ( -15.248 6.176 10.499) 19.516 2.828 ( -4.863 -3.536 4.916) 7.767 3.337 ( -5.588 5.615 -6.459) 10.221 3.430 ( -9.147 -6.304 -8.192) 13.803 3.605 ( -2.616 6.913 -7.095) 10.246 3.848 ( -2.478 -14.562 -7.521) 16.576 4.346 ( -2.177 8.519 13.615) 16.207 4.497 ( -1.664 -6.045 12.894) 14.337 5.463 ( 2.228 4.660 -7.735) 9.301 5.531 ( 3.189 -1.764 -8.011) 8.801 5.920 ( 12.906 7.693 -0.808) 15.046 6.034 ( 16.165 -3.810 -1.162) 16.649 6.345 ( 11.015 3.209 0.463) 11.482 6.447 ( 12.470 -6.412 1.386) 14.090 7.958 ( -1.124 9.714 -2.960) 10.217 8.099 ( -7.590 -2.526 -3.114) 8.584 8.451 ( -4.939 -3.033 -0.263) 5.801 8.475 ( 2.317 -5.499 0.397) 5.981 9.305 ( -0.442 0.717 -1.987) 2.158 9.325 ( -0.689 -1.110 0.177) 1.318 9.952 ( 0.895 9.350 -1.598) 9.528 10.142 ( -0.952 -9.150 -0.265) 9.203 10.616 ( 12.489 6.997 -0.201) 14.317 10.742 ( 10.778 -5.522 0.836) 12.139 10.992 ( -10.241 8.297 1.337) 13.248 11.137 ( -2.250 -3.553 0.973) 4.317 11.298 ( -3.877 1.308 1.067) 4.229 11.445 ( -2.294 -12.059 1.115) 12.326 12.362 ( -0.552 9.295 -1.957) 9.515 12.508 ( -3.563 -3.493 -2.486) 5.574 12.767 ( 3.621 7.916 -2.733) 9.123 12.963 ( 6.477 -9.202 -4.136) 11.989 13.288 ( 3.094 1.319 1.667) 3.754 13.353 ( 4.206 -3.349 2.200) 5.809 13.932 ( 6.941 8.409 -2.195) 11.122 14.126 ( 3.947 -11.075 -3.429) 12.247 14.622 ( -6.457 0.692 2.113) 6.829 14.688 ( -5.300 -5.928 2.712) 8.401 15.268 ( -5.735 5.181 0.053) 7.728 15.383 ( -6.127 -6.596 -0.025) 9.003 16.239 ( -9.401 11.294 3.419) 15.087 16.344 ( -7.925 1.157 4.134) 9.013 16.977 ( -6.831 12.661 -3.315) 14.763 17.176 ( -9.384 -6.858 -2.652) 11.922 17.620 ( -6.710 1.236 5.676) 8.876 17.716 ( -7.147 -8.498 6.925) 13.087 18.968 ( -1.429 11.309 5.593) 12.697 19.128 ( 1.717 -3.938 0.915) 4.393 19.878 ( 0.959 0.294 -1.788) 2.051 19.982 ( -0.680 -10.014 -2.584) 10.364 21.231 ( 2.955 15.165 -11.042) 18.990 21.507 ( 4.146 -12.508 -11.797) 17.686 21.947 ( 2.203 2.193 4.894) 5.798 22.000 ( 4.826 -2.917 2.923) 6.352 22.540 ( 3.435 5.288 4.175) 7.563 22.605 ( 3.473 -1.250 2.442) 4.426 24.441 ( -4.281 3.238 0.606) 5.402 24.526 ( -4.809 -5.194 -0.930) 7.140 108.607 ( 0.560 1.710 0.332) 1.830 108.647 ( 0.869 -2.367 0.402) 2.553 109.526 ( 0.665 1.037 -0.430) 1.305 109.532 ( 0.667 0.517 -0.449) 0.956 109.747 ( -1.505 0.215 -0.007) 1.521 109.762 ( -1.729 -1.182 -0.913) 2.284 ======================= Grid point 224 (128/148) ======================= q-point: (-0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -2.567 15.119 10.350) 18.501 2.366 ( -14.277 13.375 7.786) 21.055 2.544 ( -3.516 -12.676 8.332) 15.571 2.695 ( -6.795 -15.840 0.203) 17.237 3.274 ( -2.392 14.304 -1.455) 14.575 3.358 ( 3.728 5.664 -6.030) 9.074 3.564 ( -0.279 -3.252 -7.140) 7.851 3.764 ( -4.600 -17.480 -7.754) 19.668 4.322 ( -0.323 11.833 13.992) 18.328 4.521 ( 3.029 -8.086 12.134) 14.893 5.491 ( 0.509 4.777 -11.751) 12.695 5.574 ( 1.359 -3.455 -9.302) 10.015 6.205 ( 12.467 10.653 -0.142) 16.399 6.344 ( 11.679 -3.953 -0.399) 12.336 6.537 ( 6.310 5.935 1.685) 8.825 6.659 ( 6.577 -5.998 2.065) 9.138 7.863 ( -5.760 1.901 -3.705) 7.107 7.916 ( -8.135 -3.207 -2.422) 9.074 8.380 ( 0.064 6.982 0.722) 7.019 8.592 ( 5.788 -13.516 -0.086) 14.703 9.238 ( -4.611 0.574 -0.360) 4.660 9.286 ( -3.197 -3.571 1.139) 4.927 9.921 ( -2.778 8.959 -1.682) 9.529 10.096 ( -3.144 -8.036 -0.645) 8.654 10.746 ( -2.802 7.391 0.074) 7.904 10.884 ( 4.721 -4.474 0.048) 6.504 10.962 ( 6.455 10.153 0.223) 12.034 11.199 ( 8.563 -11.896 -0.644) 14.671 11.270 ( -0.358 6.713 0.340) 6.731 11.437 ( 0.882 -9.126 0.592) 9.188 12.316 ( -2.941 5.770 -4.139) 7.686 12.386 ( -6.625 -0.679 -3.265) 7.417 12.892 ( 6.845 10.021 0.233) 12.138 13.064 ( 2.011 -4.193 -1.627) 4.927 13.334 ( 0.930 -0.083 2.357) 2.535 13.425 ( 3.105 -5.993 3.759) 7.726 14.025 ( 1.834 4.375 -2.755) 5.486 14.129 ( -3.605 -5.750 -5.610) 8.805 14.435 ( -9.095 3.229 1.944) 9.845 14.569 ( -5.661 -11.026 4.578) 13.213 15.183 ( -2.969 3.078 0.627) 4.322 15.273 ( -3.890 -6.208 0.726) 7.362 16.092 ( -3.661 11.768 3.351) 12.772 16.228 ( -2.876 -2.119 3.726) 5.162 16.881 ( -2.167 9.814 -2.220) 10.293 17.005 ( -5.743 -2.192 -1.288) 6.280 17.476 ( -6.209 4.152 3.367) 8.194 17.620 ( -2.737 -10.509 4.537) 11.769 18.971 ( 1.332 13.610 6.264) 15.042 19.178 ( 3.068 -5.689 -1.426) 6.619 19.912 ( 1.945 -1.642 0.665) 2.631 19.979 ( 0.602 -8.086 -1.804) 8.307 21.245 ( -0.980 15.754 -11.515) 19.538 21.537 ( -0.606 -13.497 -10.895) 17.356 22.005 ( 2.843 5.034 4.080) 7.076 22.105 ( 4.440 -4.710 1.740) 6.703 22.610 ( 2.768 4.758 3.875) 6.732 22.668 ( 2.209 -1.093 2.548) 3.544 24.361 ( -2.934 2.647 0.577) 3.993 24.432 ( -3.612 -4.354 -1.138) 5.771 108.617 ( 0.381 1.877 0.481) 1.975 108.662 ( 0.458 -2.673 0.615) 2.781 109.538 ( 0.440 1.009 -0.520) 1.217 109.543 ( 0.430 0.551 -0.673) 0.970 109.719 ( -1.045 0.114 -0.018) 1.052 109.730 ( -1.041 -0.910 -0.710) 1.554 ======================= Grid point 252 (129/148) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 2.936 ( -0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.792 ( -0.000 0.000 -0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 4.249 ( -0.000 0.000 0.000) 0.000 4.723 ( -0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 6.310 ( -0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.880 ( -0.000 0.000 0.000) 0.000 7.879 ( -0.000 0.000 0.000) 0.000 7.995 ( -0.000 0.000 0.000) 0.000 8.604 ( 0.000 0.000 0.000) 0.000 9.263 ( -0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.515 ( -0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.830 ( -0.000 0.000 0.000) 0.000 10.874 ( -0.000 0.000 0.000) 0.000 11.523 ( 0.000 0.000 0.000) 0.000 11.547 ( -0.000 0.000 0.000) 0.000 11.743 ( 0.000 0.000 0.000) 0.000 11.940 ( 0.000 0.000 0.000) 0.000 12.416 ( -0.000 0.000 0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.940 ( -0.000 0.000 0.000) 0.000 13.310 ( -0.000 0.000 0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 14.295 ( 0.000 0.000 0.000) 0.000 14.360 ( -0.000 0.000 0.000) 0.000 14.572 ( 0.000 0.000 0.000) 0.000 15.556 ( -0.000 0.000 0.000) 0.000 15.582 ( 0.000 0.000 0.000) 0.000 15.737 ( 0.000 0.000 0.000) 0.000 16.298 ( -0.000 0.000 0.000) 0.000 16.429 ( 0.000 0.000 0.000) 0.000 16.490 ( 0.000 0.000 0.000) 0.000 17.218 ( -0.000 0.000 0.000) 0.000 18.502 ( 0.000 0.000 0.000) 0.000 18.590 ( 0.000 0.000 0.000) 0.000 18.701 ( -0.000 0.000 0.000) 0.000 20.369 ( 0.000 0.000 0.000) 0.000 20.399 ( -0.000 0.000 0.000) 0.000 20.400 ( 0.000 0.000 0.000) 0.000 21.875 ( 0.000 0.000 0.000) 0.000 22.102 ( 0.000 0.000 0.000) 0.000 22.237 ( -0.000 0.000 0.000) 0.000 22.392 ( 0.000 0.000 0.000) 0.000 22.527 ( -0.000 0.000 0.000) 0.000 24.381 ( 0.000 0.000 0.000) 0.000 24.495 ( 0.000 0.000 0.000) 0.000 108.574 ( -0.000 0.000 0.000) 0.000 108.808 ( -0.000 0.000 0.000) 0.000 109.438 ( 0.000 0.000 0.000) 0.000 109.479 ( 0.000 0.000 0.000) 0.000 109.737 ( 0.000 0.000 0.000) 0.000 109.761 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 254 (130/148) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 12.967 0.000 -1.743) 13.083 1.988 ( 20.109 0.000 8.765) 21.936 2.832 ( -8.773 0.000 -10.482) 13.668 2.892 ( -1.525 0.000 -4.823) 5.058 3.177 ( 8.033 0.000 5.983) 10.017 3.670 ( 6.526 0.000 3.064) 7.209 3.776 ( 0.379 0.000 -3.097) 3.120 3.980 ( 12.576 0.000 11.855) 17.283 4.312 ( 6.575 0.000 -5.671) 8.683 4.554 ( -14.731 0.000 0.481) 14.738 5.213 ( -0.760 0.000 -0.036) 0.761 5.392 ( -2.291 0.000 -0.968) 2.487 5.665 ( -4.843 0.000 -0.796) 4.907 6.285 ( -2.064 0.000 2.254) 3.056 6.416 ( -8.047 0.000 1.851) 8.257 6.813 ( -6.154 0.000 0.153) 6.156 7.834 ( -4.130 0.000 -2.534) 4.846 7.973 ( -1.630 0.000 0.484) 1.700 8.598 ( 0.731 0.000 -0.732) 1.034 9.117 ( -12.217 0.000 -1.357) 12.293 9.421 ( -6.037 0.000 -0.341) 6.047 9.493 ( 3.819 0.000 0.332) 3.833 9.564 ( -1.761 0.000 0.888) 1.972 9.945 ( 5.743 0.000 2.070) 6.104 10.556 ( 7.083 0.000 -1.169) 7.179 10.771 ( -3.523 0.000 -0.387) 3.544 10.942 ( 5.975 0.000 1.131) 6.081 11.416 ( -8.769 0.000 -1.701) 8.933 11.548 ( 0.175 0.000 -1.385) 1.396 11.632 ( -6.436 0.000 -1.121) 6.533 12.144 ( 12.731 0.000 0.353) 12.736 12.250 ( -7.898 0.000 4.677) 9.179 12.422 ( 0.558 0.000 0.981) 1.128 13.144 ( 9.337 0.000 0.533) 9.352 13.266 ( -4.217 0.000 0.249) 4.225 13.846 ( -9.786 0.000 0.309) 9.790 13.852 ( 7.731 0.000 4.427) 8.909 14.324 ( 6.472 0.000 1.491) 6.641 14.482 ( 8.430 0.000 0.922) 8.481 14.645 ( 7.445 0.000 2.936) 8.003 15.514 ( -5.775 0.000 0.691) 5.817 15.546 ( 0.045 0.000 -1.854) 1.855 15.853 ( 8.628 0.000 1.308) 8.726 16.145 ( -7.208 0.000 -0.867) 7.259 16.175 ( -18.152 0.000 -9.845) 20.650 16.774 ( 18.724 0.000 1.046) 18.753 17.415 ( 14.429 0.000 1.089) 14.470 18.501 ( 0.256 0.000 -1.741) 1.760 18.588 ( 1.483 0.000 -9.849) 9.960 18.773 ( 5.096 0.000 6.677) 8.399 20.269 ( -5.592 0.000 -6.935) 8.909 20.386 ( -0.970 0.000 3.449) 3.582 20.455 ( 1.305 0.000 8.084) 8.189 21.819 ( -5.193 0.000 7.724) 9.307 22.101 ( -0.071 0.000 0.073) 0.102 22.242 ( 0.303 0.000 -10.378) 10.382 22.359 ( -2.969 0.000 -0.491) 3.010 22.498 ( -2.686 0.000 -0.207) 2.694 24.414 ( 2.879 0.000 -3.394) 4.450 24.551 ( 4.902 0.000 3.779) 6.189 108.571 ( -0.228 0.000 -0.084) 0.243 108.792 ( -1.539 0.000 1.082) 1.881 109.437 ( -0.063 0.000 -0.100) 0.119 109.476 ( -0.292 0.000 0.120) 0.316 109.746 ( 0.999 0.000 0.876) 1.329 109.780 ( 1.535 0.000 -1.788) 2.357 ======================= Grid point 255 (131/148) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 20.867 0.000 -2.836) 21.059 2.375 ( 7.203 0.000 20.686) 21.904 2.754 ( 8.211 0.000 -17.310) 19.159 2.894 ( 1.917 0.000 -3.101) 3.645 3.358 ( 7.953 0.000 4.904) 9.343 3.664 ( -2.491 0.000 0.922) 2.656 3.797 ( 0.795 0.000 -4.542) 4.611 4.183 ( -18.892 0.000 0.998) 18.919 4.338 ( 13.334 0.000 10.422) 16.924 4.595 ( 22.809 0.000 -5.390) 23.438 5.203 ( 0.077 0.000 0.597) 0.602 5.310 ( -5.000 0.000 -1.710) 5.284 5.539 ( -6.882 0.000 -1.007) 6.955 6.138 ( -17.842 0.000 2.922) 18.080 6.251 ( -0.947 0.000 4.588) 4.684 6.644 ( -9.100 0.000 0.449) 9.111 7.710 ( -6.875 0.000 -4.098) 8.004 7.944 ( -1.055 0.000 0.659) 1.244 8.663 ( 5.249 0.000 -0.976) 5.339 8.805 ( -17.169 0.000 -0.297) 17.172 9.273 ( -7.735 0.000 -1.862) 7.956 9.494 ( -4.300 0.000 0.989) 4.412 9.550 ( 1.221 0.000 0.618) 1.368 10.023 ( 2.174 0.000 1.409) 2.590 10.768 ( 12.428 0.000 -1.693) 12.542 10.785 ( 5.202 0.000 0.159) 5.204 11.097 ( 8.039 0.000 1.533) 8.184 11.108 ( -18.611 0.000 -0.080) 18.611 11.552 ( 0.434 0.000 -2.178) 2.221 11.591 ( 1.014 0.000 -2.727) 2.910 12.168 ( 2.966 0.000 0.168) 2.971 12.442 ( 1.241 0.000 1.478) 1.930 12.444 ( 11.354 0.000 8.988) 14.481 13.132 ( -8.469 0.000 0.313) 8.475 13.218 ( -1.671 0.000 0.783) 1.845 13.652 ( -7.942 0.000 0.479) 7.956 13.858 ( -4.165 0.000 0.364) 4.181 14.552 ( 9.318 0.000 6.641) 11.442 14.645 ( 6.426 0.000 1.342) 6.565 14.895 ( 12.956 0.000 7.014) 14.733 15.382 ( -6.014 0.000 0.974) 6.092 15.562 ( -3.211 0.000 -0.670) 3.280 15.712 ( -9.880 0.000 -12.159) 15.667 16.031 ( -3.989 0.000 -0.436) 4.013 16.167 ( 13.567 0.000 -6.198) 14.916 17.179 ( 18.650 0.000 1.710) 18.728 17.716 ( 13.063 0.000 1.088) 13.108 18.525 ( 2.389 0.000 -2.164) 3.223 18.661 ( 6.295 0.000 -10.591) 12.320 18.880 ( 3.939 0.000 3.285) 5.129 20.156 ( -4.222 0.000 -4.203) 5.958 20.385 ( 0.930 0.000 3.286) 3.415 20.451 ( -2.322 0.000 7.857) 8.193 21.690 ( -7.322 0.000 8.081) 10.905 22.102 ( 0.244 0.000 0.280) 0.371 22.217 ( -1.887 0.000 -10.580) 10.747 22.277 ( -4.361 0.000 -0.122) 4.363 22.421 ( -4.466 0.000 -0.630) 4.510 24.479 ( 3.328 0.000 -4.019) 5.218 24.684 ( 6.766 0.000 4.137) 7.931 108.566 ( -0.224 0.000 -0.218) 0.313 108.752 ( -2.210 0.000 1.150) 2.491 109.435 ( -0.065 0.000 -0.175) 0.187 109.467 ( -0.486 0.000 0.208) 0.528 109.779 ( 1.903 0.000 1.440) 2.387 109.813 ( 1.586 0.000 -2.291) 2.786 ======================= Grid point 256 (132/148) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 23.432 0.000 -3.632) 23.712 2.331 ( -6.083 0.000 9.205) 11.034 2.949 ( 2.766 0.000 -0.701) 2.854 3.059 ( 14.189 0.000 -4.593) 14.914 3.464 ( -0.558 0.000 2.935) 2.988 3.623 ( -1.378 0.000 1.869) 2.322 3.822 ( 2.294 0.000 -4.188) 4.775 3.840 ( -11.265 0.000 1.311) 11.341 4.586 ( 11.183 0.000 4.380) 12.010 5.068 ( 16.047 0.000 -11.744) 19.885 5.217 ( -2.688 0.000 -1.724) 3.193 5.231 ( 4.555 0.000 8.245) 9.419 5.377 ( -8.215 0.000 -1.146) 8.295 5.739 ( -18.683 0.000 3.162) 18.949 6.263 ( 1.525 0.000 5.737) 5.936 6.478 ( -5.744 0.000 0.242) 5.749 7.577 ( -4.247 0.000 -3.530) 5.522 7.928 ( -0.610 0.000 0.574) 0.838 8.390 ( -21.884 0.000 0.484) 21.889 8.784 ( 5.580 0.000 -0.803) 5.638 9.137 ( -3.822 0.000 -2.693) 4.675 9.421 ( -2.561 0.000 1.383) 2.910 9.553 ( -0.652 0.000 0.607) 0.891 10.068 ( 1.947 0.000 0.302) 1.970 10.697 ( -17.429 0.000 0.757) 17.445 10.944 ( 6.447 0.000 -0.152) 6.449 11.030 ( 11.530 0.000 -1.145) 11.587 11.256 ( 6.237 0.000 0.930) 6.306 11.570 ( 1.848 0.000 -1.994) 2.719 11.642 ( 4.551 0.000 -3.769) 5.909 12.303 ( 7.629 0.000 0.663) 7.657 12.473 ( 1.328 0.000 1.242) 1.818 12.616 ( 4.117 0.000 14.142) 14.729 12.930 ( -10.005 0.000 0.326) 10.010 13.115 ( -7.266 0.000 -3.887) 8.240 13.524 ( -4.328 0.000 0.433) 4.350 13.812 ( 1.953 0.000 -0.532) 2.024 14.606 ( -7.292 0.000 6.931) 10.060 14.742 ( 2.746 0.000 0.978) 2.915 15.019 ( -0.219 0.000 1.952) 1.964 15.285 ( -3.070 0.000 1.032) 3.239 15.406 ( -0.622 0.000 -5.966) 5.998 15.815 ( 9.512 0.000 -3.664) 10.193 15.967 ( -2.247 0.000 -0.105) 2.250 16.438 ( 11.191 0.000 -4.483) 12.055 17.523 ( 13.377 0.000 2.319) 13.576 17.940 ( 7.947 0.000 0.834) 7.990 18.593 ( 3.733 0.000 -1.448) 4.004 18.814 ( 7.498 0.000 -5.111) 9.074 18.931 ( 1.468 0.000 -5.116) 5.323 20.104 ( -0.266 0.000 -0.283) 0.388 20.373 ( -5.414 0.000 6.519) 8.474 20.435 ( 3.468 0.000 0.912) 3.586 21.539 ( -7.174 0.000 5.670) 9.144 22.115 ( 0.983 0.000 0.659) 1.184 22.150 ( -3.568 0.000 -4.404) 5.668 22.197 ( -2.870 0.000 -1.632) 3.302 22.321 ( -4.718 0.000 -1.138) 4.853 24.538 ( 2.339 0.000 -2.863) 3.697 24.816 ( 5.134 0.000 2.663) 5.783 108.562 ( -0.148 0.000 -0.267) 0.305 108.709 ( -1.744 0.000 0.693) 1.877 109.435 ( 0.020 0.000 -0.211) 0.211 109.457 ( -0.510 0.000 0.240) 0.564 109.818 ( 1.437 0.000 1.524) 2.095 109.841 ( 1.293 0.000 -1.920) 2.315 ======================= Grid point 257 (133/148) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -2.813 0.000 2.854) 4.007 2.726 ( 19.464 0.000 -4.709) 20.025 2.969 ( -2.636 0.000 3.040) 4.024 3.248 ( 4.195 0.000 -1.127) 4.344 3.303 ( -10.229 0.000 1.139) 10.293 3.607 ( -0.346 0.000 0.823) 0.892 3.758 ( 0.106 0.000 0.424) 0.437 3.873 ( 1.852 0.000 -1.229) 2.222 4.804 ( 7.815 0.000 3.475) 8.553 5.116 ( -2.865 0.000 -6.136) 6.772 5.218 ( -1.154 0.000 -3.034) 3.246 5.238 ( 0.863 0.000 1.039) 1.351 5.411 ( -12.149 0.000 2.183) 12.344 5.441 ( 6.980 0.000 2.086) 7.285 6.303 ( 1.298 0.000 2.693) 2.990 6.419 ( -0.547 0.000 0.106) 0.557 7.579 ( 4.803 0.000 -1.896) 5.164 7.919 ( -0.238 0.000 0.228) 0.330 7.954 ( -16.929 0.000 0.854) 16.950 8.870 ( 2.253 0.000 -0.317) 2.275 9.117 ( 0.934 0.000 -0.964) 1.342 9.380 ( -1.407 0.000 0.548) 1.510 9.538 ( -0.501 0.000 0.257) 0.563 10.087 ( -0.270 0.000 -0.209) 0.342 10.422 ( -6.958 0.000 0.343) 6.967 11.038 ( 2.110 0.000 0.012) 2.110 11.215 ( 5.749 0.000 -0.208) 5.752 11.320 ( -0.221 0.000 0.030) 0.223 11.636 ( 3.362 0.000 -0.779) 3.451 11.761 ( 5.196 0.000 -2.784) 5.895 12.385 ( -0.479 0.000 1.953) 2.011 12.488 ( 0.004 0.000 0.447) 0.447 12.724 ( 7.434 0.000 12.515) 14.557 12.761 ( -4.756 0.000 0.232) 4.761 12.927 ( -9.686 0.000 -8.778) 13.071 13.466 ( -1.353 0.000 0.170) 1.363 13.973 ( 12.547 0.000 -0.017) 12.547 14.312 ( -16.912 0.000 1.213) 16.956 14.773 ( 0.464 0.000 0.302) 0.553 15.033 ( 0.964 0.000 -0.266) 1.000 15.250 ( -0.675 0.000 0.492) 0.836 15.443 ( 1.792 0.000 -0.777) 1.953 15.935 ( -0.752 0.000 -0.002) 0.752 15.966 ( 4.067 0.000 -0.819) 4.149 16.596 ( 3.855 0.000 -1.777) 4.245 17.722 ( 4.992 0.000 1.239) 5.144 18.050 ( 2.582 0.000 0.301) 2.600 18.655 ( 1.767 0.000 -0.447) 1.823 18.877 ( -0.360 0.000 1.472) 1.516 18.997 ( 3.877 0.000 -6.965) 7.971 20.143 ( 3.752 0.000 0.555) 3.793 20.250 ( -6.120 0.000 3.074) 6.849 20.507 ( 2.451 0.000 -0.246) 2.464 21.422 ( -3.512 0.000 2.128) 4.107 22.088 ( -1.666 0.000 -0.754) 1.828 22.144 ( 1.545 0.000 0.848) 1.762 22.156 ( -0.982 0.000 -0.963) 1.375 22.234 ( -3.033 0.000 -1.089) 3.223 24.569 ( 0.815 0.000 -1.020) 1.306 24.892 ( 1.847 0.000 0.884) 2.047 108.559 ( -0.060 0.000 -0.122) 0.136 108.684 ( -0.633 0.000 0.218) 0.669 109.436 ( 0.093 0.000 -0.149) 0.176 109.448 ( -0.288 0.000 0.161) 0.330 109.838 ( 0.440 0.000 0.486) 0.656 109.861 ( 0.565 0.000 -0.579) 0.809 ======================= Grid point 262 (134/148) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 27.378 0.000) 27.378 1.815 ( 0.000 7.347 0.000) 7.347 2.831 ( 0.000 -6.679 0.000) 6.679 2.832 ( -0.000 -15.600 -0.000) 15.600 3.070 ( 0.000 5.083 0.000) 5.083 3.649 ( 0.000 5.783 -0.000) 5.783 3.655 ( -0.000 -12.595 0.000) 12.595 3.953 ( 0.000 9.702 0.000) 9.702 4.152 ( 0.000 -7.858 0.000) 7.858 4.830 ( 0.000 9.134 0.000) 9.134 5.071 ( 0.000 -8.492 0.000) 8.492 5.672 ( 0.000 11.601 0.000) 11.601 5.701 ( 0.000 4.385 0.000) 4.385 6.355 ( -0.000 4.445 0.000) 4.445 6.483 ( 0.000 -0.519 0.000) 0.519 6.868 ( -0.000 -1.265 0.000) 1.265 7.887 ( -0.000 0.440 0.000) 0.440 7.971 ( 0.000 -2.437 0.000) 2.437 8.462 ( 0.000 -11.341 0.000) 11.341 9.177 ( 0.000 -8.290 0.000) 8.290 9.362 ( 0.000 -7.008 0.000) 7.008 9.525 ( -0.000 -4.357 -0.000) 4.357 9.561 ( 0.000 4.632 0.000) 4.632 9.978 ( 0.000 10.555 0.000) 10.555 10.491 ( 0.000 1.500 0.000) 1.500 10.841 ( 0.000 -2.152 0.000) 2.152 10.906 ( -0.000 6.870 0.000) 6.870 11.432 ( 0.000 -9.398 0.000) 9.398 11.569 ( -0.000 0.723 0.000) 0.723 11.714 ( 0.000 -3.759 0.000) 3.759 11.954 ( 0.000 2.418 0.000) 2.418 12.251 ( 0.000 -4.247 0.000) 4.247 12.633 ( 0.000 9.853 0.000) 9.853 12.939 ( 0.000 -0.018 0.000) 0.018 13.377 ( -0.000 4.497 0.000) 4.497 13.695 ( 0.000 -1.160 0.000) 1.160 13.990 ( 0.000 0.648 0.000) 0.648 14.077 ( -0.000 -11.197 0.000) 11.197 14.394 ( 0.000 -0.412 0.000) 0.412 14.825 ( 0.000 16.960 0.000) 16.960 15.381 ( 0.000 -17.574 0.000) 17.574 15.605 ( 0.000 6.084 -0.000) 6.084 15.633 ( -0.000 -12.432 0.000) 12.432 16.185 ( 0.000 0.762 0.000) 0.762 16.542 ( 0.000 5.035 0.000) 5.035 16.695 ( 0.000 14.188 0.000) 14.188 17.239 ( -0.000 2.149 0.000) 2.149 18.226 ( 0.000 -16.355 0.000) 16.355 18.766 ( 0.000 6.386 0.000) 6.386 18.815 ( -0.000 11.474 -0.000) 11.474 20.310 ( -0.000 -5.868 -0.000) 5.868 20.317 ( 0.000 -6.640 0.000) 6.640 20.513 ( -0.000 9.550 0.000) 9.550 21.815 ( 0.000 -6.048 0.000) 6.048 22.024 ( 0.000 -3.243 0.000) 3.243 22.329 ( -0.000 -4.297 0.000) 4.297 22.383 ( -0.000 9.914 0.000) 9.914 22.597 ( -0.000 4.966 0.000) 4.966 24.370 ( 0.000 -1.013 0.000) 1.013 24.475 ( 0.000 -1.917 0.000) 1.917 108.579 ( -0.000 0.543 0.000) 0.543 108.785 ( -0.000 -2.232 0.000) 2.232 109.458 ( 0.000 1.898 0.000) 1.898 109.490 ( 0.000 1.077 0.000) 1.077 109.732 ( 0.000 -0.473 0.000) 0.473 109.753 ( -0.000 -0.797 0.000) 0.797 ======================= Grid point 264 (135/148) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 7.457 18.995 -0.454) 20.411 2.075 ( 19.695 9.478 6.322) 22.753 2.719 ( -2.840 -6.812 -6.987) 10.163 2.963 ( -0.889 -0.957 -2.779) 3.070 3.079 ( 7.137 -3.233 4.857) 9.218 3.624 ( -2.541 -11.868 1.967) 12.295 3.705 ( 3.092 -2.760 0.169) 4.148 4.051 ( 8.666 5.736 5.621) 11.815 4.189 ( 4.228 -5.321 -3.328) 7.567 4.707 ( -8.100 9.996 -5.730) 14.084 5.130 ( 3.296 -3.929 4.669) 6.936 5.595 ( -7.911 13.041 -1.368) 15.314 5.644 ( -3.238 0.146 -0.153) 3.245 6.321 ( -2.941 3.573 2.041) 5.058 6.398 ( -9.012 -1.552 1.785) 9.317 6.807 ( -5.852 -0.861 0.183) 5.918 7.829 ( -4.608 -0.608 -1.804) 4.985 7.969 ( -0.298 -0.478 0.286) 0.631 8.494 ( 3.578 -8.328 -0.877) 9.106 9.051 ( -10.799 -7.056 -0.002) 12.900 9.368 ( -1.088 -5.507 0.942) 5.692 9.465 ( -2.200 -1.415 -3.040) 4.011 9.615 ( 2.066 3.836 2.456) 5.001 10.045 ( 4.159 8.877 0.901) 9.845 10.571 ( 7.568 1.653 -1.131) 7.828 10.762 ( -6.568 -0.998 0.670) 6.678 10.935 ( 4.264 0.273 -0.226) 4.279 11.356 ( -5.604 -5.097 -1.874) 7.804 11.553 ( -10.041 -3.720 -0.049) 10.708 11.646 ( 3.805 2.400 -1.876) 4.874 12.074 ( 8.036 -5.398 6.120) 11.453 12.249 ( -0.084 3.411 -2.114) 4.014 12.524 ( -3.816 7.237 2.579) 8.578 13.066 ( 4.422 -3.983 0.570) 5.978 13.369 ( -0.684 5.923 0.272) 5.969 13.708 ( -4.079 -8.573 2.512) 9.821 13.924 ( -2.493 2.241 1.371) 3.622 14.201 ( 9.544 -7.649 4.258) 12.951 14.440 ( 6.389 -1.433 1.120) 6.643 14.897 ( 6.067 15.419 1.864) 16.674 15.319 ( -5.553 -15.473 0.145) 16.440 15.625 ( 2.056 1.522 -1.219) 2.833 15.675 ( 3.176 -7.614 -2.301) 8.565 16.173 ( -1.104 5.479 -7.487) 9.343 16.376 ( -10.121 12.228 0.843) 15.896 16.859 ( 14.134 7.031 -0.301) 15.789 17.424 ( 13.691 0.939 0.768) 13.744 18.246 ( 2.141 -15.717 -1.553) 15.938 18.752 ( 0.511 8.415 -13.430) 15.857 18.870 ( 3.577 8.137 8.972) 12.629 20.201 ( -5.685 -6.063 -5.155) 9.780 20.373 ( 0.891 -5.470 4.529) 7.157 20.509 ( -0.260 8.855 5.238) 10.292 21.769 ( -4.353 -5.533 4.985) 8.626 22.021 ( -0.343 -3.223 -0.277) 3.253 22.287 ( -3.393 -4.151 -0.834) 5.426 22.382 ( -0.438 8.617 -6.324) 10.697 22.571 ( -2.475 5.176 0.004) 5.737 24.404 ( 2.938 -0.941 -3.220) 4.459 24.528 ( 4.657 -2.208 3.418) 6.185 108.576 ( -0.248 0.523 -0.093) 0.586 108.770 ( -1.342 -2.045 0.868) 2.595 109.456 ( -0.176 1.794 0.006) 1.802 109.487 ( -0.296 1.074 0.093) 1.118 109.741 ( 0.989 -0.456 0.828) 1.368 109.771 ( 1.459 -0.903 -1.613) 2.355 ======================= Grid point 265 (136/148) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 16.581 10.438 -0.266) 19.595 2.438 ( 6.189 6.783 17.285) 19.573 2.726 ( 8.742 -1.465 -13.804) 16.405 2.943 ( 2.469 3.289 -4.981) 6.459 3.265 ( 7.875 -8.211 3.639) 11.945 3.572 ( -2.776 -7.651 4.874) 9.487 3.749 ( 2.040 -5.211 -3.689) 6.702 4.127 ( -3.724 -6.322 5.824) 9.368 4.370 ( 8.164 3.540 -1.132) 8.970 4.668 ( 10.412 6.971 -6.979) 14.342 5.186 ( 1.668 -0.438 4.139) 4.484 5.413 ( -8.068 6.112 -2.285) 10.376 5.560 ( -4.595 3.721 0.440) 5.929 6.104 ( -18.041 -2.862 2.645) 18.457 6.256 ( -2.991 0.544 4.041) 5.057 6.634 ( -9.897 -1.447 0.573) 10.019 7.719 ( -5.436 1.154 -3.080) 6.353 7.969 ( 0.615 2.515 0.571) 2.651 8.613 ( 7.131 -4.023 -0.896) 8.237 8.769 ( -15.721 -4.484 0.397) 16.352 9.276 ( -6.294 0.091 -1.267) 6.421 9.442 ( -1.248 -3.096 -0.709) 3.412 9.622 ( -1.334 5.326 1.538) 5.702 10.096 ( 0.875 6.894 0.743) 6.989 10.683 ( 1.194 -8.390 0.699) 8.503 10.801 ( 12.263 3.153 -1.895) 12.802 11.013 ( -4.934 -5.374 -0.282) 7.300 11.146 ( -4.620 0.430 0.108) 4.641 11.468 ( 1.066 -4.440 -0.972) 4.668 11.724 ( 3.320 7.753 -2.826) 8.895 12.213 ( 4.657 -7.725 6.273) 10.987 12.253 ( 1.325 2.766 -0.855) 3.184 12.569 ( 6.403 3.990 5.631) 9.414 13.043 ( -5.514 -4.775 1.209) 7.394 13.327 ( -3.976 6.493 0.247) 7.618 13.575 ( -6.255 -7.782 1.234) 10.060 13.811 ( -7.554 -3.169 -0.438) 8.204 14.378 ( 4.799 -9.834 7.744) 13.406 14.691 ( 13.589 -1.380 4.310) 14.323 15.027 ( 4.793 9.539 2.498) 10.964 15.172 ( -8.386 -13.171 -2.385) 15.795 15.658 ( 0.349 -1.376 0.371) 1.467 15.752 ( 5.939 6.588 -5.718) 10.553 16.055 ( -5.942 10.437 -7.044) 13.923 16.383 ( 8.787 14.696 -2.512) 17.306 17.201 ( 16.812 1.675 1.429) 16.956 17.709 ( 12.202 -0.614 0.429) 12.225 18.319 ( 5.078 -14.130 -2.253) 15.183 18.788 ( 4.138 7.681 -13.014) 15.668 18.950 ( 2.950 5.896 4.710) 8.102 20.085 ( -4.537 -6.001 -3.394) 8.253 20.363 ( -1.936 -4.930 4.027) 6.653 20.519 ( 0.806 8.498 6.184) 10.541 21.654 ( -6.704 -4.414 6.943) 10.613 22.008 ( -0.981 -3.949 -0.852) 4.157 22.204 ( -3.984 -4.668 -1.812) 6.399 22.349 ( -2.110 7.683 -6.149) 10.064 22.498 ( -4.262 5.652 -0.089) 7.079 24.471 ( 3.419 -0.757 -3.759) 5.137 24.655 ( 6.519 -2.776 3.715) 8.000 108.570 ( -0.267 0.452 -0.223) 0.570 108.735 ( -1.950 -1.602 0.942) 2.694 109.452 ( -0.209 1.559 -0.057) 1.574 109.478 ( -0.490 1.063 0.152) 1.181 109.773 ( 1.828 -0.556 1.320) 2.322 109.802 ( 1.571 -0.981 -2.040) 2.756 ======================= Grid point 266 (137/148) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 8.319 0.276 6.581) 10.611 2.448 ( 6.982 9.559 -1.351) 11.914 2.925 ( 4.848 -1.674 -1.198) 5.267 3.095 ( 10.809 2.394 -5.030) 12.160 3.426 ( 7.529 -5.458 2.355) 9.593 3.481 ( -6.819 -5.408 5.155) 10.115 3.786 ( 0.737 -2.740 -2.678) 3.902 4.004 ( -5.177 8.216 1.406) 9.812 4.504 ( 6.525 -6.846 0.812) 9.492 4.989 ( 13.581 -4.640 -8.800) 16.835 5.204 ( -0.827 -1.086 3.880) 4.113 5.287 ( -3.045 4.006 -2.007) 5.417 5.476 ( -2.074 7.839 1.882) 8.324 5.719 ( -16.840 -1.386 2.380) 17.064 6.215 ( -1.375 -4.512 4.853) 6.768 6.445 ( -6.688 -3.430 0.554) 7.536 7.615 ( -3.294 3.939 -3.035) 5.965 8.000 ( 2.062 6.843 1.081) 7.228 8.373 ( -20.921 -2.029 0.611) 21.028 8.772 ( 6.628 -1.284 -0.489) 6.769 9.158 ( -3.820 1.894 -2.157) 4.779 9.400 ( -2.254 -1.920 0.736) 3.051 9.590 ( -1.535 3.788 0.533) 4.122 10.108 ( 0.255 4.012 0.104) 4.021 10.643 ( -11.844 -6.414 0.888) 13.498 10.820 ( 1.937 -8.046 -0.102) 8.277 11.088 ( 12.077 4.018 -1.554) 12.822 11.212 ( 3.755 -4.313 -0.227) 5.723 11.546 ( 6.041 -1.337 -1.473) 6.360 11.771 ( 1.713 10.218 -3.119) 10.820 12.262 ( -0.335 -13.751 5.266) 14.728 12.351 ( 7.158 3.213 0.441) 7.858 12.705 ( 4.399 3.832 9.698) 11.318 12.895 ( -7.230 -2.663 0.608) 7.729 13.202 ( -7.523 7.142 -2.533) 10.678 13.478 ( -3.307 -5.067 0.749) 6.097 13.684 ( -2.160 -10.202 -1.810) 10.584 14.385 ( -5.846 -12.537 7.892) 15.926 14.876 ( 2.349 -0.752 4.968) 5.546 15.002 ( -4.506 -10.997 -7.056) 13.822 15.104 ( 3.414 9.747 0.594) 10.345 15.677 ( 1.907 4.852 0.549) 5.242 15.913 ( 7.872 9.115 -2.693) 12.341 15.984 ( -1.078 11.261 -2.854) 11.667 16.599 ( 10.011 13.482 -3.717) 17.199 17.517 ( 12.397 -1.083 2.373) 12.669 17.905 ( 6.202 -3.351 -0.269) 7.054 18.452 ( 7.257 -10.622 -1.164) 12.917 18.897 ( 6.413 5.377 -9.361) 12.557 18.981 ( -0.216 4.932 -1.238) 5.090 20.027 ( -0.466 -6.412 -0.656) 6.462 20.300 ( -4.452 -5.462 4.307) 8.259 20.558 ( 2.536 9.158 3.142) 10.008 21.515 ( -6.710 -3.150 5.853) 9.445 21.972 ( -2.319 -6.199 -0.699) 6.656 22.138 ( -1.796 -3.479 -1.540) 4.207 22.297 ( -2.084 6.607 -3.829) 7.916 22.403 ( -4.448 6.384 0.088) 7.781 24.531 ( 2.434 -0.520 -2.644) 3.632 24.783 ( 4.990 -3.221 2.380) 6.398 108.565 ( -0.189 0.357 -0.264) 0.483 108.697 ( -1.560 -1.170 0.576) 2.033 109.448 ( -0.104 1.313 -0.108) 1.322 109.468 ( -0.495 1.066 0.164) 1.187 109.810 ( 1.367 -0.728 1.294) 2.019 109.832 ( 1.321 -0.933 -1.615) 2.285 ======================= Grid point 267 (138/148) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -1.966 1.336 3.065) 3.879 2.806 ( 18.623 6.933 -4.886) 20.464 2.972 ( 0.432 -1.481 1.828) 2.391 3.215 ( -6.112 -2.300 -0.370) 6.541 3.292 ( -3.446 0.444 1.397) 3.745 3.575 ( 3.945 0.333 2.214) 4.536 3.803 ( 2.591 -3.657 -1.226) 4.647 3.926 ( -3.516 9.523 -0.033) 10.151 4.639 ( 4.975 -14.031 0.860) 14.912 5.082 ( -1.125 -9.021 -5.847) 10.808 5.142 ( -3.655 0.684 1.807) 4.134 5.308 ( 3.908 5.083 1.194) 6.522 5.436 ( -7.644 3.327 0.159) 8.338 5.536 ( 2.623 6.161 0.647) 6.727 6.199 ( -0.380 -9.473 1.922) 9.673 6.377 ( -0.755 -4.358 0.618) 4.465 7.625 ( 5.015 4.428 -1.874) 6.947 7.950 ( -16.705 -0.130 1.013) 16.736 8.042 ( 1.280 11.091 0.517) 11.177 8.868 ( 2.193 -0.439 -0.116) 2.239 9.127 ( 0.323 1.064 -0.870) 1.412 9.362 ( -1.218 -1.769 0.380) 2.181 9.564 ( -0.758 2.806 0.141) 2.910 10.094 ( -1.305 0.710 -0.248) 1.506 10.435 ( -5.200 0.858 0.329) 5.280 10.887 ( 2.112 -11.395 0.174) 11.590 11.246 ( 2.055 -4.107 -0.351) 4.606 11.295 ( 4.178 2.015 -0.497) 4.665 11.670 ( 4.165 -0.164 -0.888) 4.262 11.812 ( 2.198 7.740 -2.144) 8.327 12.217 ( -3.140 -11.935 3.372) 12.794 12.487 ( 4.232 0.025 -0.176) 4.235 12.759 ( -0.227 1.086 3.212) 3.398 12.799 ( -0.118 0.909 5.239) 5.318 13.029 ( -7.147 10.582 -5.013) 13.718 13.426 ( -1.467 -4.030 0.345) 4.302 13.757 ( 7.057 -18.417 -1.242) 19.761 14.178 ( -10.708 -8.700 2.919) 14.102 14.870 ( -0.477 2.303 0.064) 2.353 14.978 ( 0.132 -12.907 -1.125) 12.957 15.165 ( 1.725 12.647 0.082) 12.765 15.716 ( 1.223 4.895 0.399) 5.061 15.972 ( 0.202 13.226 -0.239) 13.230 16.036 ( 3.003 7.906 -1.084) 8.526 16.747 ( 3.736 13.199 -1.573) 13.808 17.703 ( 4.699 -2.416 1.405) 5.468 17.980 ( 1.434 -6.366 -0.460) 6.542 18.584 ( 4.117 -6.529 0.204) 7.721 18.943 ( -1.637 5.586 -0.092) 5.822 19.013 ( 3.400 1.874 -5.732) 6.923 20.062 ( 3.205 -7.015 -0.146) 7.714 20.195 ( -5.056 -4.383 2.777) 7.245 20.614 ( 1.968 8.520 0.501) 8.759 21.405 ( -3.310 -2.175 2.343) 4.602 21.927 ( -1.361 -7.778 -0.081) 7.897 22.121 ( -0.136 -2.522 -0.739) 2.632 22.267 ( -0.498 4.872 -1.394) 5.092 22.328 ( -2.298 7.936 0.293) 8.267 24.565 ( 0.857 -0.349 -0.938) 1.317 24.857 ( 1.803 -3.433 0.791) 3.958 108.562 ( -0.075 0.298 -0.119) 0.329 108.674 ( -0.570 -0.933 0.182) 1.108 109.448 ( 0.014 1.121 -0.078) 1.124 109.460 ( -0.249 1.114 0.096) 1.145 109.829 ( 0.430 -0.809 0.382) 0.993 109.852 ( 0.566 -0.894 -0.452) 1.150 ======================= Grid point 272 (139/148) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -0.000 12.731 0.000) 12.731 2.183 ( 0.000 27.760 0.000) 27.760 2.578 ( -0.000 -9.035 -0.000) 9.035 2.703 ( -0.000 -5.398 0.000) 5.398 3.145 ( -0.000 0.717 0.000) 0.717 3.394 ( -0.000 -9.691 0.000) 9.691 3.630 ( 0.000 -4.938 0.000) 4.938 3.907 ( 0.000 -13.453 0.000) 13.453 4.286 ( 0.000 16.760 0.000) 16.760 4.921 ( -0.000 -7.183 0.000) 7.183 5.031 ( 0.000 10.722 0.000) 10.722 5.597 ( 0.000 -6.350 0.000) 6.350 6.063 ( -0.000 18.285 0.000) 18.285 6.474 ( -0.000 7.257 0.000) 7.257 6.477 ( 0.000 0.033 -0.000) 0.033 6.827 ( -0.000 -3.030 0.000) 3.030 7.858 ( -0.000 -4.289 0.000) 4.289 7.895 ( 0.000 -5.209 0.000) 5.209 8.303 ( 0.000 -1.872 0.000) 1.872 8.955 ( 0.000 -13.919 0.000) 13.919 9.220 ( 0.000 -5.797 0.000) 5.797 9.403 ( -0.000 -7.493 0.000) 7.493 9.689 ( -0.000 8.077 0.000) 8.077 10.126 ( 0.000 1.878 0.000) 1.878 10.560 ( 0.000 5.539 0.000) 5.539 10.865 ( 0.000 6.196 0.000) 6.196 11.068 ( -0.000 9.073 0.000) 9.073 11.187 ( 0.000 -13.885 0.000) 13.885 11.514 ( -0.000 -6.534 0.000) 6.534 11.598 ( 0.000 -7.463 0.000) 7.463 12.062 ( 0.000 7.874 0.000) 7.874 12.250 ( 0.000 1.970 0.000) 1.970 12.849 ( 0.000 12.274 0.000) 12.274 12.948 ( -0.000 1.275 0.000) 1.275 13.403 ( -0.000 -2.337 0.000) 2.337 13.653 ( 0.000 -3.438 0.000) 3.438 13.936 ( -0.000 -2.802 0.000) 2.802 14.003 ( 0.000 0.374 0.000) 0.374 14.377 ( -0.000 -0.846 0.000) 0.846 14.947 ( 0.000 -24.073 0.000) 24.073 15.064 ( -0.000 6.844 0.000) 6.844 15.395 ( 0.000 -10.084 0.000) 10.084 15.828 ( -0.000 15.393 0.000) 15.393 16.245 ( 0.000 2.800 0.000) 2.800 16.676 ( -0.000 8.217 0.000) 8.217 16.903 ( 0.000 6.531 0.000) 6.531 17.306 ( -0.000 4.755 0.000) 4.755 17.913 ( 0.000 -15.167 0.000) 15.167 18.933 ( 0.000 9.930 0.000) 9.930 19.012 ( -0.000 8.826 -0.000) 8.826 20.147 ( -0.000 -9.821 0.000) 9.821 20.155 ( 0.000 -9.241 0.000) 9.241 20.761 ( 0.000 14.919 0.000) 14.919 21.642 ( 0.000 -11.379 0.000) 11.379 22.015 ( 0.000 2.023 0.000) 2.023 22.250 ( 0.000 -3.869 0.000) 3.869 22.564 ( -0.000 7.971 0.000) 7.971 22.684 ( -0.000 3.515 0.000) 3.515 24.349 ( 0.000 -0.926 0.000) 0.926 24.426 ( 0.000 -2.891 0.000) 2.891 108.596 ( -0.000 1.219 0.000) 1.219 108.731 ( -0.000 -2.999 0.000) 2.999 109.502 ( 0.000 2.225 0.000) 2.225 109.516 ( 0.000 1.453 0.000) 1.453 109.720 ( 0.000 -0.708 0.000) 0.708 109.733 ( -0.000 -1.174 0.000) 1.174 ======================= Grid point 274 (140/148) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 1.860 16.654 2.913) 17.009 2.366 ( 14.676 16.946 -2.976) 22.614 2.615 ( 3.139 -2.431 3.943) 5.595 2.811 ( 7.828 -9.093 2.002) 12.164 3.148 ( -0.394 5.266 0.752) 5.334 3.334 ( -2.162 -13.339 -0.784) 13.536 3.617 ( -1.244 -6.168 -0.861) 6.351 3.923 ( 1.124 -12.568 3.794) 13.176 4.355 ( 6.205 13.618 -5.633) 15.990 4.830 ( -4.377 0.879 -12.014) 12.817 5.125 ( 4.856 4.313 10.721) 12.535 5.554 ( -3.954 -5.456 1.057) 6.820 5.930 ( -10.520 15.817 0.265) 18.998 6.364 ( -10.709 -1.548 2.446) 11.093 6.421 ( -5.437 6.051 0.636) 8.160 6.770 ( -5.931 -3.061 0.092) 6.675 7.810 ( -2.217 -0.985 -0.197) 2.434 7.948 ( 3.185 -2.012 0.247) 3.775 8.363 ( 5.848 -3.223 -1.143) 6.774 8.849 ( -8.729 -12.749 0.585) 15.462 9.256 ( 2.521 -4.422 1.033) 5.194 9.409 ( -0.201 -4.522 -2.304) 5.079 9.724 ( 2.563 7.481 1.668) 8.082 10.182 ( 3.823 1.786 -0.426) 4.241 10.634 ( 5.997 5.050 -0.915) 7.894 10.771 ( -8.227 4.186 0.625) 9.252 10.968 ( -2.535 1.637 -0.845) 3.134 11.249 ( 0.681 -4.245 -1.127) 4.445 11.409 ( -10.047 -9.751 -0.054) 14.001 11.607 ( 4.402 -6.899 -0.037) 8.184 12.091 ( 2.180 6.844 4.390) 8.418 12.325 ( 5.789 2.863 -0.662) 6.492 12.686 ( -8.884 9.262 2.121) 13.009 13.027 ( 1.228 -0.048 1.484) 1.927 13.420 ( 0.910 -2.106 -0.144) 2.299 13.555 ( -7.216 -5.162 1.042) 8.933 13.944 ( -5.527 0.126 1.628) 5.763 14.081 ( 8.460 -4.950 7.153) 12.134 14.426 ( 7.053 0.431 -0.072) 7.066 14.963 ( 0.378 -18.569 -2.601) 18.754 15.101 ( 2.854 5.485 1.941) 6.480 15.431 ( 3.456 -9.619 0.356) 10.227 15.880 ( 5.019 15.621 -4.354) 16.975 16.279 ( 2.483 4.004 -4.264) 6.354 16.620 ( -2.746 12.564 1.343) 12.930 16.983 ( 8.268 4.374 -1.190) 9.429 17.454 ( 11.510 2.247 -0.121) 11.728 17.943 ( 2.918 -14.711 -1.399) 15.062 18.935 ( 0.737 10.123 -11.650) 15.452 19.029 ( 1.312 7.549 4.989) 9.144 20.056 ( -4.862 -7.914 -2.050) 9.512 20.209 ( 1.417 -10.434 0.228) 10.532 20.749 ( -1.087 14.546 5.853) 15.717 21.602 ( -3.740 -11.023 4.842) 12.607 22.012 ( -0.351 1.747 -0.936) 2.013 22.207 ( -3.645 -3.667 -1.413) 5.360 22.545 ( -1.779 7.326 -2.521) 7.950 22.662 ( -2.149 3.617 -0.321) 4.219 24.384 ( 3.087 -0.834 -2.545) 4.087 24.472 ( 4.100 -3.249 2.349) 5.735 108.592 ( -0.314 1.171 -0.091) 1.216 108.721 ( -0.963 -2.802 0.469) 3.000 109.498 ( -0.347 2.152 0.095) 2.182 109.513 ( -0.298 1.453 0.066) 1.485 109.729 ( 0.973 -0.670 0.652) 1.349 109.748 ( 1.282 -1.323 -1.140) 2.166 ======================= Grid point 275 (141/148) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 7.858 10.408 4.577) 13.821 2.616 ( -0.923 7.170 8.741) 11.343 2.732 ( 13.972 3.661 -6.956) 16.031 2.944 ( 5.399 -4.850 -4.622) 8.605 3.150 ( 4.473 0.142 2.955) 5.363 3.430 ( 6.568 -5.191 6.253) 10.449 3.596 ( 1.671 -9.627 -3.262) 10.301 3.950 ( 1.153 -11.038 6.136) 12.682 4.483 ( 4.096 7.468 -9.964) 13.108 4.785 ( 2.340 2.917 -9.563) 10.268 5.209 ( 2.303 3.171 7.202) 8.199 5.444 ( -6.115 -1.554 1.285) 6.439 5.720 ( -7.914 10.008 1.000) 12.798 6.050 ( -17.717 -2.376 2.339) 18.028 6.277 ( -7.886 1.842 2.452) 8.462 6.574 ( -11.868 -4.670 0.483) 12.763 7.774 ( -1.628 4.903 -0.801) 5.228 8.032 ( 5.038 3.192 0.900) 6.032 8.532 ( 9.497 -4.013 -0.704) 10.335 8.627 ( -12.488 -9.114 0.642) 15.473 9.269 ( -2.170 -0.581 0.442) 2.290 9.389 ( -1.135 -2.542 -1.769) 3.299 9.751 ( -0.898 7.946 1.244) 8.093 10.236 ( 1.375 3.866 -0.519) 4.136 10.537 ( -7.755 -3.467 0.796) 8.532 10.859 ( -0.295 -0.751 -1.905) 2.069 10.921 ( 4.723 -0.223 -1.089) 4.852 11.147 ( -2.842 0.504 0.011) 2.886 11.377 ( 4.494 -4.842 -0.293) 6.613 11.717 ( 5.843 -11.100 -0.890) 12.575 12.139 ( 0.859 6.382 3.294) 7.233 12.402 ( 0.702 7.579 1.059) 7.685 12.612 ( 3.347 1.154 5.306) 6.379 12.969 ( -6.059 -3.384 3.539) 7.790 13.395 ( -3.835 -7.498 -1.410) 8.539 13.417 ( -4.979 0.972 0.498) 5.097 13.780 ( -9.647 0.655 1.958) 9.865 14.188 ( 1.160 -9.813 9.191) 13.495 14.651 ( 10.356 -1.309 1.238) 10.511 14.937 ( -2.360 -10.433 -4.105) 11.457 15.167 ( 3.836 5.085 0.899) 6.433 15.525 ( 4.805 -7.965 0.108) 9.302 16.019 ( 7.905 16.336 -3.664) 18.514 16.302 ( 0.704 11.303 -4.588) 12.219 16.676 ( 8.028 14.655 -1.478) 16.775 17.215 ( 12.585 -0.801 0.811) 12.636 17.695 ( 9.848 -0.692 -1.049) 9.927 18.042 ( 7.102 -13.333 -2.241) 15.272 18.955 ( 2.409 9.297 -13.448) 16.525 19.068 ( 1.743 5.625 2.740) 6.495 19.956 ( -4.093 -6.263 -1.923) 7.725 20.208 ( -1.433 -10.271 0.202) 10.373 20.740 ( -0.029 13.175 7.811) 15.317 21.506 ( -5.522 -10.054 7.704) 13.818 21.989 ( -2.122 1.192 -0.936) 2.607 22.119 ( -3.788 -3.658 -3.207) 6.166 22.488 ( -3.229 6.393 -2.444) 7.568 22.597 ( -3.746 3.881 -0.599) 5.427 24.457 ( 3.723 -0.449 -2.895) 4.738 24.584 ( 5.868 -4.100 2.506) 7.585 108.584 ( -0.396 1.026 -0.202) 1.118 108.695 ( -1.419 -2.309 0.520) 2.760 109.489 ( -0.452 1.975 0.074) 2.028 109.505 ( -0.499 1.438 0.069) 1.524 109.759 ( 1.657 -0.797 0.948) 2.068 109.778 ( 1.545 -1.412 -1.357) 2.495 ======================= Grid point 276 (142/148) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 3.594 2.908 8.902) 10.031 2.606 ( 5.966 2.629 -4.014) 7.657 2.899 ( 2.595 0.843 0.241) 2.739 3.152 ( 12.527 4.417 -9.256) 16.190 3.344 ( 10.404 -2.585 6.017) 12.294 3.426 ( -3.361 -0.207 5.682) 6.605 3.715 ( 3.949 -4.369 -0.137) 5.891 4.014 ( 5.497 -8.218 6.171) 11.655 4.446 ( -5.484 3.083 -9.301) 11.229 4.884 ( 3.435 -6.722 -6.773) 10.142 5.237 ( 0.325 4.447 2.095) 4.927 5.354 ( -1.037 2.768 1.152) 3.172 5.612 ( -3.316 5.066 1.688) 6.286 5.713 ( -11.937 1.176 1.079) 12.043 6.114 ( -7.522 -4.670 3.067) 9.370 6.341 ( -8.523 -7.016 0.870) 11.073 7.730 ( -2.091 7.618 -1.602) 8.060 8.156 ( 5.336 6.123 1.355) 8.234 8.317 ( -15.752 -1.515 0.906) 15.850 8.727 ( 8.044 -3.665 0.300) 8.845 9.200 ( -3.197 2.112 -0.789) 3.912 9.352 ( -2.193 -2.787 0.020) 3.546 9.706 ( -2.588 8.192 -0.194) 8.593 10.221 ( -4.031 7.272 -0.266) 8.319 10.434 ( -1.871 -13.376 0.337) 13.510 10.692 ( -5.567 -6.147 -0.203) 8.295 11.127 ( 1.677 -1.540 -0.550) 2.342 11.182 ( 9.426 3.853 -1.251) 10.260 11.512 ( 7.417 -2.066 -1.126) 7.781 11.857 ( 7.356 -9.947 -0.848) 12.400 12.103 ( -3.373 6.843 2.322) 7.974 12.444 ( 2.926 5.040 1.934) 6.140 12.730 ( 4.707 -1.280 6.682) 8.273 12.835 ( -5.395 -3.852 3.170) 7.348 13.293 ( -4.849 -3.481 0.853) 6.030 13.344 ( -2.009 -3.413 -3.796) 5.486 13.569 ( -9.453 1.214 1.062) 9.590 14.143 ( -6.124 -12.238 7.834) 15.768 14.783 ( 2.870 -3.945 0.348) 4.891 14.882 ( -1.724 -4.318 -4.578) 6.525 15.282 ( 6.116 6.951 0.491) 9.272 15.611 ( 3.138 -6.113 0.125) 6.872 16.171 ( 6.184 16.134 -1.465) 17.341 16.340 ( 2.910 18.246 -1.994) 18.584 16.878 ( 9.619 13.398 -2.650) 16.705 17.461 ( 9.798 -4.971 2.025) 11.172 17.828 ( 3.166 -3.471 -2.065) 5.132 18.235 ( 10.339 -11.141 -1.440) 15.267 19.014 ( 3.834 6.820 -10.543) 13.129 19.088 ( -0.216 5.151 -0.791) 5.216 19.901 ( -0.690 -5.513 -0.673) 5.596 20.156 ( -3.324 -9.089 1.279) 9.762 20.760 ( 1.306 11.138 5.522) 12.500 21.396 ( -5.216 -8.562 7.221) 12.355 21.915 ( -4.258 0.065 -0.800) 4.333 22.069 ( -0.897 -3.476 -3.180) 4.795 22.417 ( -3.069 5.780 -1.387) 6.690 22.515 ( -3.673 4.314 -0.396) 5.680 24.525 ( 2.745 0.080 -1.979) 3.385 24.700 ( 4.574 -4.880 1.583) 6.873 108.577 ( -0.305 0.846 -0.231) 0.929 108.667 ( -1.161 -1.793 0.316) 2.159 109.480 ( -0.336 1.754 0.027) 1.786 109.494 ( -0.475 1.423 0.045) 1.501 109.792 ( 1.245 -0.987 0.742) 1.753 109.808 ( 1.356 -1.360 -0.878) 2.111 ======================= Grid point 277 (143/148) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.193 4.721 3.226) 5.721 2.829 ( 8.514 -9.297 0.865) 12.636 2.960 ( 6.826 4.813 -3.895) 9.215 3.204 ( -9.147 0.227 -2.375) 9.453 3.386 ( 2.991 9.037 2.025) 9.732 3.596 ( 9.005 0.568 4.943) 10.288 3.721 ( -1.818 -2.431 -1.331) 3.315 4.113 ( 0.626 6.875 4.199) 8.080 4.346 ( -1.056 -12.975 -5.713) 14.216 4.852 ( -3.134 -12.805 -1.952) 13.326 5.214 ( -2.076 5.418 -0.232) 5.807 5.406 ( 3.819 4.617 2.808) 6.617 5.505 ( -4.923 3.108 -1.711) 6.068 5.647 ( 1.618 4.700 -0.120) 4.972 5.991 ( -3.414 -9.914 1.231) 10.558 6.249 ( -1.264 -8.440 0.918) 8.584 7.731 ( 3.734 5.813 -1.387) 7.047 7.946 ( -14.338 -0.597 0.510) 14.360 8.299 ( 3.747 13.952 1.260) 14.501 8.840 ( 2.456 -2.764 0.363) 3.716 9.159 ( -0.616 2.127 -0.540) 2.279 9.316 ( -1.011 -2.797 0.157) 2.978 9.660 ( -1.404 7.323 -0.278) 7.461 10.113 ( -3.865 0.991 -0.214) 3.996 10.419 ( -0.269 -3.546 0.102) 3.557 10.659 ( 0.601 -11.055 0.036) 11.071 11.130 ( -0.093 -4.563 -0.229) 4.570 11.323 ( 2.977 -1.269 -0.490) 3.273 11.653 ( 4.764 0.600 -0.706) 4.853 11.984 ( 4.012 -3.496 -2.054) 5.704 12.046 ( -2.208 6.487 2.879) 7.432 12.486 ( 0.883 -0.490 0.458) 1.109 12.762 ( 0.156 -1.254 3.695) 3.905 12.795 ( -0.724 -0.322 1.053) 1.318 13.211 ( -2.616 1.670 -0.646) 3.170 13.315 ( -1.176 -6.689 -0.562) 6.815 13.455 ( -0.699 -4.796 -0.418) 4.864 13.995 ( -5.892 -9.949 2.811) 11.900 14.813 ( 0.490 -4.102 0.128) 4.134 14.866 ( 0.003 -1.912 -1.944) 2.727 15.379 ( 2.529 7.589 0.279) 8.004 15.654 ( 1.000 -5.299 0.075) 5.393 16.268 ( 2.837 15.836 -0.271) 16.090 16.386 ( 1.078 21.101 -0.503) 21.135 17.025 ( 3.841 12.984 -1.116) 13.586 17.607 ( 3.704 -7.569 1.312) 8.528 17.855 ( 0.266 -4.236 -1.299) 4.439 18.411 ( 5.123 -10.982 -0.186) 12.119 19.060 ( -0.937 5.727 -3.096) 6.577 19.080 ( 1.687 4.818 -2.418) 5.648 19.923 ( 2.026 -6.098 -0.282) 6.432 20.083 ( -3.070 -6.986 1.366) 7.752 20.792 ( 1.045 9.206 1.709) 9.421 21.315 ( -2.475 -7.057 3.012) 8.063 21.843 ( -1.971 -0.503 -0.326) 2.060 22.060 ( -0.040 -3.748 -1.296) 3.966 22.369 ( -1.249 5.461 -0.419) 5.618 22.457 ( -1.547 4.738 -0.080) 4.985 24.563 ( 0.986 0.445 -0.692) 1.284 24.768 ( 1.669 -5.291 0.526) 5.572 108.572 ( -0.118 0.733 -0.103) 0.749 108.650 ( -0.432 -1.492 0.098) 1.556 109.476 ( -0.114 1.578 0.004) 1.582 109.487 ( -0.203 1.438 0.016) 1.453 109.810 ( 0.426 -1.023 0.191) 1.124 109.829 ( 0.554 -1.362 -0.203) 1.484 ======================= Grid point 282 (144/148) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -0.000 12.474 0.000) 12.474 2.432 ( 0.000 -2.509 0.000) 2.509 2.508 ( -0.000 2.723 -0.000) 2.723 2.652 ( -0.000 -5.743 -0.000) 5.743 3.187 ( 0.000 13.480 0.000) 13.480 3.392 ( -0.000 5.814 0.000) 5.814 3.499 ( 0.000 -9.095 0.000) 9.095 3.589 ( 0.000 -17.424 0.000) 17.424 4.578 ( 0.000 12.267 -0.000) 12.267 4.774 ( 0.000 -8.248 0.000) 8.248 5.243 ( 0.000 10.708 0.000) 10.708 5.442 ( 0.000 -9.291 0.000) 9.291 6.354 ( -0.000 10.452 0.000) 10.452 6.468 ( 0.000 -1.946 0.000) 1.946 6.621 ( 0.000 7.249 0.000) 7.249 6.746 ( -0.000 -5.282 0.000) 5.282 7.767 ( -0.000 -2.674 0.000) 2.674 7.790 ( 0.000 -4.430 0.000) 4.430 8.399 ( 0.000 10.226 0.000) 10.226 8.659 ( 0.000 -15.233 0.000) 15.233 9.174 ( 0.000 1.334 0.000) 1.334 9.258 ( 0.000 -6.522 0.000) 6.522 9.867 ( -0.000 9.739 0.000) 9.739 10.050 ( -0.000 -7.987 0.000) 7.987 10.705 ( 0.000 9.090 0.000) 9.090 10.910 ( -0.000 -11.154 0.000) 11.154 11.087 ( -0.000 11.949 0.000) 11.949 11.251 ( -0.000 9.335 0.000) 9.335 11.332 ( -0.000 -11.364 0.000) 11.364 11.435 ( 0.000 -8.946 0.000) 8.946 12.208 ( -0.000 5.812 0.000) 5.812 12.270 ( 0.000 -0.645 0.000) 0.645 13.000 ( 0.000 3.997 0.000) 3.997 13.043 ( -0.000 3.472 0.000) 3.472 13.376 ( -0.000 4.104 0.000) 4.104 13.541 ( 0.000 -8.434 0.000) 8.434 13.942 ( -0.000 2.367 0.000) 2.367 13.991 ( 0.000 -1.805 0.000) 1.805 14.385 ( -0.000 2.695 0.000) 2.695 14.544 ( 0.000 -14.809 0.000) 14.809 15.151 ( 0.000 3.588 0.000) 3.588 15.240 ( 0.000 -5.929 0.000) 5.929 16.109 ( -0.000 11.303 0.000) 11.303 16.248 ( 0.000 -3.071 0.000) 3.071 16.842 ( -0.000 7.870 0.000) 7.870 16.946 ( 0.000 -1.963 0.000) 1.963 17.433 ( -0.000 8.396 0.000) 8.396 17.639 ( 0.000 -12.480 0.000) 12.480 19.113 ( 0.000 6.862 0.000) 6.862 19.146 ( -0.000 3.665 -0.000) 3.665 19.982 ( -0.000 -5.313 0.000) 5.313 19.990 ( 0.000 -5.930 -0.000) 5.930 21.072 ( 0.000 16.234 0.000) 16.234 21.381 ( 0.000 -14.835 0.000) 14.835 22.083 ( 0.000 4.391 0.000) 4.391 22.171 ( 0.000 -4.286 0.000) 4.286 22.684 ( 0.000 4.099 0.000) 4.099 22.723 ( -0.000 0.149 0.000) 0.149 24.343 ( 0.000 0.544 0.000) 0.544 24.372 ( 0.000 -2.308 0.000) 2.308 108.628 ( -0.000 1.991 0.000) 1.991 108.674 ( -0.000 -2.696 0.000) 2.696 109.536 ( 0.000 1.073 0.000) 1.073 109.539 ( 0.000 0.672 0.000) 0.672 109.708 ( 0.000 -0.305 -0.000) 0.305 109.712 ( -0.000 -0.728 0.000) 0.728 ======================= Grid point 284 (145/148) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 1.161 16.004 3.486) 16.420 2.530 ( 10.383 2.749 -5.743) 12.179 2.596 ( 7.045 -5.451 10.390) 13.686 2.646 ( 1.438 -9.264 -0.651) 9.397 3.242 ( 5.076 10.632 1.580) 11.887 3.304 ( -5.910 5.707 -1.909) 8.435 3.489 ( -1.426 -5.501 -1.298) 5.829 3.632 ( 3.277 -16.322 2.977) 16.912 4.599 ( 2.222 10.611 -7.730) 13.315 4.765 ( -0.145 -6.299 -9.578) 11.464 5.262 ( 1.326 8.295 7.145) 11.028 5.423 ( -1.736 -7.709 3.523) 8.652 6.188 ( -13.302 9.907 1.411) 16.646 6.318 ( -12.970 -3.782 2.024) 13.661 6.554 ( -6.962 7.064 0.131) 9.919 6.683 ( -6.858 -5.725 -0.092) 8.934 7.815 ( 4.711 2.040 0.794) 5.195 7.883 ( 7.130 -4.172 0.672) 8.288 8.396 ( 0.699 6.345 -0.893) 6.446 8.590 ( -5.342 -12.557 0.009) 13.646 9.227 ( 3.794 1.614 0.576) 4.163 9.304 ( 2.912 -5.453 -0.516) 6.203 9.900 ( 2.438 10.008 0.393) 10.309 10.094 ( 3.230 -8.799 -0.328) 9.379 10.761 ( 4.386 7.393 -1.109) 8.667 10.897 ( -4.131 -2.950 -1.020) 5.177 10.966 ( -5.763 8.308 -0.112) 10.112 11.195 ( -9.816 -11.782 -0.171) 15.336 11.272 ( 0.926 6.320 0.289) 6.394 11.437 ( 0.291 -9.367 0.689) 9.396 12.243 ( 2.992 6.937 2.516) 7.962 12.334 ( 5.226 -2.094 1.261) 5.769 12.872 ( -9.342 9.129 2.008) 13.216 13.013 ( -4.896 -3.805 3.118) 6.941 13.374 ( -0.778 1.683 -1.393) 2.319 13.472 ( -4.269 -5.416 -0.799) 6.943 13.949 ( -3.740 0.963 4.327) 5.800 13.995 ( 2.134 -3.679 7.122) 8.295 14.479 ( 8.871 5.335 -1.980) 10.539 14.650 ( 7.387 -12.428 -3.214) 14.811 15.180 ( 2.541 3.783 0.792) 4.626 15.276 ( 3.406 -6.256 0.400) 7.134 16.159 ( 5.023 11.189 -2.654) 12.549 16.296 ( 4.551 -2.757 -2.520) 5.888 16.856 ( 1.961 10.622 0.271) 10.805 16.999 ( 5.103 -3.238 -0.759) 6.091 17.524 ( 7.817 5.483 -1.066) 9.608 17.686 ( 4.399 -10.990 -1.412) 11.922 19.113 ( 0.338 6.609 -6.539) 9.303 19.146 ( 0.126 3.303 -1.061) 3.472 19.940 ( -2.515 -2.266 -0.992) 3.528 20.007 ( 0.321 -8.494 -2.441) 8.844 21.052 ( -1.965 15.775 6.302) 17.100 21.351 ( -2.934 -14.305 6.049) 15.806 22.068 ( -1.378 3.507 -1.917) 4.228 22.138 ( -2.865 -3.526 -1.741) 4.866 22.659 ( -2.320 4.077 -0.625) 4.733 22.699 ( -2.178 0.013 -0.391) 2.213 24.380 ( 3.281 0.649 -1.164) 3.541 24.412 ( 3.585 -2.530 0.679) 4.440 108.623 ( -0.439 1.906 -0.021) 1.957 108.667 ( -0.646 -2.559 0.157) 2.644 109.531 ( -0.397 1.095 0.039) 1.165 109.536 ( -0.332 0.626 0.065) 0.711 109.719 ( 0.999 -0.225 0.238) 1.051 109.725 ( 1.107 -0.851 -0.454) 1.469 ======================= Grid point 285 (146/148) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.319 11.140 4.932) 12.187 2.553 ( -4.273 -10.166 3.334) 11.520 2.850 ( 16.670 3.731 -1.345) 17.135 2.884 ( 12.547 -0.212 2.210) 12.742 3.230 ( 1.154 6.210 0.128) 6.317 3.378 ( 5.925 -7.316 -2.798) 9.822 3.475 ( 2.631 6.362 3.147) 7.570 3.706 ( 3.291 -13.434 4.341) 14.496 4.638 ( 1.037 7.683 -11.470) 13.844 4.763 ( 0.606 -4.504 -11.174) 12.063 5.297 ( 1.337 5.037 6.872) 8.625 5.388 ( -1.591 -3.933 4.586) 6.248 5.894 ( -13.082 7.250 1.572) 15.040 5.998 ( -15.900 -3.513 2.114) 16.420 6.342 ( -12.345 4.937 0.865) 13.324 6.460 ( -13.382 -6.491 0.320) 14.876 7.911 ( 2.763 8.423 1.172) 8.942 8.046 ( 7.242 -3.308 1.803) 8.163 8.459 ( 3.713 -2.660 -0.877) 4.651 8.477 ( -2.923 -4.444 0.121) 5.321 9.277 ( 0.068 1.771 0.517) 1.846 9.331 ( -0.505 -3.258 -0.632) 3.357 9.934 ( 0.166 10.491 0.301) 10.497 10.145 ( 1.608 -10.058 -0.362) 10.192 10.618 ( -12.940 8.043 -0.385) 15.241 10.763 ( -12.192 -6.381 -1.105) 13.806 11.022 ( 11.610 7.561 -1.259) 13.912 11.151 ( 3.580 -2.833 -0.143) 4.568 11.311 ( 4.887 0.937 -0.125) 4.978 11.455 ( 2.218 -12.206 0.262) 12.409 12.318 ( 3.010 9.130 1.940) 9.808 12.452 ( 4.877 -3.519 2.279) 6.432 12.692 ( -6.088 7.956 4.334) 10.915 12.863 ( -8.226 -7.928 5.248) 12.572 13.323 ( -3.695 1.048 -1.818) 4.249 13.387 ( -4.496 -3.793 -1.241) 6.012 13.848 ( -6.333 6.004 5.562) 10.349 13.999 ( -2.404 -9.005 8.057) 12.320 14.666 ( 7.022 2.958 -2.134) 7.913 14.765 ( 3.355 -7.014 -3.957) 8.724 15.263 ( 5.528 5.195 0.509) 7.602 15.379 ( 5.938 -6.729 0.299) 8.979 16.304 ( 8.279 11.291 -2.414) 14.208 16.423 ( 7.296 -0.017 -2.771) 7.805 16.947 ( 6.674 12.664 -0.543) 14.326 17.147 ( 8.318 -6.848 0.040) 10.774 17.705 ( 8.139 2.665 -2.191) 8.840 17.820 ( 8.581 -8.875 -2.439) 12.584 19.120 ( 0.959 6.020 -9.522) 11.306 19.154 ( 0.711 2.315 -2.686) 3.616 19.885 ( -2.355 0.439 -1.621) 2.892 19.996 ( -1.084 -9.867 -2.488) 10.234 21.013 ( -2.095 14.117 9.270) 17.018 21.280 ( -4.135 -12.776 9.386) 16.384 22.023 ( -2.820 1.895 -2.510) 4.224 22.062 ( -3.605 -2.254 -3.255) 5.355 22.593 ( -3.656 4.025 -0.659) 5.477 22.636 ( -3.626 -0.131 -0.589) 3.676 24.463 ( 4.278 1.239 -1.326) 4.647 24.508 ( 5.042 -3.324 0.681) 6.078 108.611 ( -0.613 1.674 -0.091) 1.785 108.649 ( -0.944 -2.201 0.148) 2.400 109.521 ( -0.566 1.095 0.040) 1.233 109.526 ( -0.540 0.553 0.041) 0.774 109.747 ( 1.534 -0.264 0.338) 1.593 109.753 ( 1.528 -0.890 -0.456) 1.826 ======================= Grid point 286 (147/148) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 2.508 6.220 6.705) 9.484 2.519 ( 2.280 -8.023 2.284) 8.648 3.004 ( 2.857 7.819 -4.562) 9.492 3.154 ( 6.363 -6.321 -7.628) 11.774 3.381 ( 11.832 7.591 5.126) 14.963 3.475 ( 6.036 1.550 8.744) 10.737 3.641 ( 8.443 -0.377 0.421) 8.462 3.789 ( 5.772 -12.069 2.882) 13.685 4.568 ( -7.201 7.868 -9.572) 14.331 4.731 ( -4.272 -8.416 -7.594) 12.114 5.337 ( 1.846 4.465 2.653) 5.512 5.384 ( 1.411 -0.180 2.820) 3.159 5.686 ( -7.153 3.135 0.795) 7.851 5.731 ( -7.868 -0.741 0.940) 7.959 6.081 ( -11.588 2.198 1.474) 11.886 6.189 ( -10.595 -7.670 0.961) 13.115 7.904 ( -3.092 9.740 -0.306) 10.224 8.092 ( -5.325 -8.702 0.425) 10.211 8.441 ( 3.936 10.014 1.561) 10.873 8.619 ( 7.781 -7.452 1.124) 10.832 9.242 ( -2.452 2.341 0.056) 3.390 9.294 ( -2.355 -2.969 0.046) 3.790 9.907 ( -2.350 11.926 -0.826) 12.184 10.162 ( -1.356 -13.781 -0.568) 13.860 10.381 ( -7.199 8.631 -0.318) 11.244 10.549 ( -6.963 -8.240 -0.196) 10.790 11.156 ( -1.008 4.200 0.208) 4.324 11.226 ( 3.510 -0.889 -0.483) 3.653 11.493 ( 11.402 1.549 -1.148) 11.564 11.612 ( 12.446 -10.581 -0.291) 16.338 12.324 ( -2.464 11.896 0.396) 12.155 12.494 ( -1.186 -2.690 1.784) 3.439 12.684 ( 3.665 -0.934 4.236) 5.679 12.739 ( -2.816 -4.977 5.617) 8.016 13.226 ( -5.118 0.230 -0.969) 5.214 13.279 ( -5.142 -4.121 -1.323) 6.721 13.701 ( -7.342 9.721 3.771) 12.753 13.910 ( -6.132 -11.344 6.004) 14.224 14.756 ( 2.460 0.845 -2.282) 3.460 14.802 ( 1.179 -3.505 -3.585) 5.150 15.394 ( 5.939 5.086 0.616) 7.843 15.496 ( 4.560 -5.473 0.332) 7.132 16.470 ( 7.014 12.429 -1.157) 14.319 16.577 ( 6.911 3.517 -1.260) 7.856 17.102 ( 7.022 10.413 -0.533) 12.570 17.313 ( 6.725 -10.058 0.728) 12.121 17.838 ( 4.840 5.706 -2.667) 7.943 18.017 ( 9.188 -10.937 -2.262) 14.462 19.139 ( 1.461 4.637 -8.329) 9.644 19.164 ( 0.311 1.961 -4.034) 4.496 19.851 ( -0.556 1.466 -0.723) 1.727 19.966 ( -1.487 -9.192 -0.860) 9.351 20.984 ( -1.255 11.444 7.686) 13.842 21.203 ( -3.627 -10.700 8.410) 14.084 21.946 ( -3.749 2.517 -2.078) 4.970 22.003 ( -1.856 -3.181 -3.163) 4.854 22.516 ( -3.307 3.944 -0.418) 5.164 22.558 ( -3.402 -0.057 -0.425) 3.429 24.544 ( 3.284 2.047 -0.895) 3.972 24.607 ( 3.956 -4.238 0.406) 5.812 108.599 ( -0.497 1.400 -0.130) 1.491 108.631 ( -0.779 -1.800 0.058) 1.962 109.510 ( -0.476 1.033 0.022) 1.138 109.515 ( -0.492 0.509 0.007) 0.708 109.778 ( 1.233 -0.292 0.237) 1.290 109.784 ( 1.317 -0.901 -0.193) 1.608 ======================= Grid point 287 (148/148) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 2.066 8.311 3.083) 9.102 2.620 ( 4.404 -10.722 2.426) 11.842 3.049 ( 2.306 4.815 -4.176) 6.778 3.155 ( -2.739 -5.167 -4.759) 7.540 3.590 ( 4.233 7.937 5.141) 10.361 3.618 ( 5.396 2.059 4.758) 7.483 3.735 ( 2.352 5.271 -0.773) 5.823 3.971 ( 7.791 -14.761 2.684) 16.906 4.377 ( -7.671 10.143 -5.669) 13.923 4.601 ( -5.033 -12.351 -2.757) 13.619 5.339 ( -1.096 6.796 0.200) 6.887 5.442 ( 2.436 -2.298 1.538) 3.685 5.573 ( -3.448 4.566 -0.682) 5.762 5.667 ( -0.317 -3.752 -0.129) 3.768 5.912 ( -3.679 3.821 0.856) 5.373 6.064 ( -1.914 -9.686 0.875) 9.912 7.838 ( -1.106 4.880 -0.679) 5.050 7.915 ( -8.072 -2.740 -0.062) 8.525 8.558 ( 4.246 11.767 1.283) 12.575 8.745 ( 3.353 -7.135 0.874) 7.932 9.205 ( -0.826 2.505 -0.104) 2.640 9.258 ( -0.865 -2.902 0.083) 3.029 9.854 ( -1.906 11.934 -0.615) 12.101 10.074 ( -3.861 -7.701 -0.313) 8.620 10.350 ( 1.169 0.724 -0.181) 1.387 10.463 ( -1.793 -8.846 -0.060) 9.026 11.125 ( -1.100 3.832 0.161) 3.990 11.237 ( -0.600 -6.304 0.090) 6.333 11.718 ( 7.295 5.379 -0.672) 9.088 11.841 ( 6.880 -6.929 -0.256) 9.768 12.268 ( -1.839 11.209 0.103) 11.359 12.440 ( -2.501 -5.288 0.748) 5.898 12.736 ( 0.577 -0.566 2.343) 2.479 12.761 ( 2.281 -2.854 1.551) 3.969 13.135 ( -2.675 -1.127 -0.310) 2.919 13.192 ( -2.522 -5.555 -0.342) 6.110 13.586 ( -3.065 10.645 1.118) 11.133 13.794 ( -3.838 -10.438 2.062) 11.311 14.785 ( 0.646 0.688 -0.946) 1.336 14.820 ( 0.584 -2.408 -1.460) 2.876 15.484 ( 2.257 4.012 0.334) 4.616 15.561 ( 1.547 -4.174 0.167) 4.455 16.577 ( 2.872 13.428 -0.305) 13.735 16.682 ( 2.698 5.724 -0.267) 6.334 17.209 ( 2.740 7.641 -0.100) 8.118 17.411 ( 2.368 -11.720 0.446) 11.965 17.904 ( 1.627 9.744 -1.244) 9.957 18.160 ( 3.826 -14.104 -0.870) 14.640 19.155 ( 0.087 3.338 -3.218) 4.638 19.164 ( 0.429 2.586 -2.383) 3.543 19.858 ( 0.827 0.294 -0.113) 0.885 19.938 ( -0.988 -6.896 0.214) 6.969 20.972 ( -0.382 9.094 2.878) 9.546 21.150 ( -1.585 -9.038 3.390) 9.782 21.886 ( -1.565 3.984 -0.863) 4.366 21.975 ( -0.625 -4.716 -1.251) 4.919 22.465 ( -1.325 3.871 -0.143) 4.094 22.505 ( -1.391 0.092 -0.129) 1.400 24.592 ( 1.201 2.570 -0.310) 2.854 24.665 ( 1.453 -4.778 0.133) 4.996 108.591 ( -0.189 1.228 -0.062) 1.244 108.619 ( -0.293 -1.555 0.008) 1.583 109.502 ( -0.183 0.967 0.007) 0.984 109.508 ( -0.198 0.499 -0.002) 0.537 109.796 ( 0.460 -0.225 0.069) 0.517 109.804 ( 0.514 -0.971 -0.023) 1.099 =================== 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 3/33264 10.0 35.389 38.920 29.146 0.000 -7.465 0.000 3/33264 20.0 11.096 10.616 7.167 0.000 -1.287 0.000 3/33264 30.0 5.823 5.447 3.261 0.000 -0.459 0.000 3/33264 40.0 3.888 3.680 2.064 0.000 -0.201 0.000 3/33264 50.0 2.917 2.793 1.516 0.000 -0.097 0.000 3/33264 60.0 2.345 2.260 1.205 0.000 -0.048 0.000 3/33264 70.0 1.970 1.906 1.004 0.000 -0.023 0.000 3/33264 80.0 1.708 1.655 0.862 0.000 -0.010 0.000 3/33264 90.0 1.514 1.468 0.756 0.000 -0.002 0.000 3/33264 100.0 1.364 1.324 0.675 0.000 0.003 0.000 3/33264 110.0 1.246 1.211 0.611 0.000 0.006 0.000 3/33264 120.0 1.149 1.118 0.559 0.000 0.008 0.000 3/33264 130.0 1.069 1.042 0.516 0.000 0.009 0.000 3/33264 140.0 1.001 0.977 0.479 0.000 0.009 0.000 3/33264 150.0 0.942 0.922 0.449 0.000 0.010 0.000 3/33264 160.0 0.890 0.874 0.423 0.000 0.010 0.000 3/33264 170.0 0.845 0.831 0.400 0.000 0.010 0.000 3/33264 180.0 0.805 0.793 0.380 0.000 0.011 0.000 3/33264 190.0 0.768 0.759 0.362 0.000 0.011 0.000 3/33264 200.0 0.735 0.728 0.346 0.000 0.011 0.000 3/33264 210.0 0.705 0.700 0.331 0.000 0.010 0.000 3/33264 220.0 0.678 0.674 0.318 0.000 0.010 0.000 3/33264 230.0 0.652 0.651 0.306 0.000 0.010 0.000 3/33264 240.0 0.629 0.628 0.295 0.000 0.010 0.000 3/33264 250.0 0.607 0.608 0.285 0.000 0.010 0.000 3/33264 260.0 0.587 0.589 0.275 0.000 0.010 0.000 3/33264 270.0 0.568 0.571 0.267 0.000 0.010 0.000 3/33264 280.0 0.550 0.554 0.258 0.000 0.009 0.000 3/33264 290.0 0.533 0.538 0.251 0.000 0.009 0.000 3/33264 300.0 0.517 0.523 0.243 0.000 0.009 0.000 3/33264 310.0 0.503 0.508 0.237 0.000 0.009 0.000 3/33264 320.0 0.489 0.495 0.230 0.000 0.009 0.000 3/33264 330.0 0.475 0.482 0.224 0.000 0.009 0.000 3/33264 340.0 0.463 0.470 0.218 0.000 0.008 0.000 3/33264 350.0 0.451 0.458 0.213 0.000 0.008 0.000 3/33264 360.0 0.439 0.447 0.208 0.000 0.008 0.000 3/33264 370.0 0.429 0.437 0.203 0.000 0.008 0.000 3/33264 380.0 0.418 0.427 0.198 0.000 0.008 0.000 3/33264 390.0 0.409 0.417 0.193 0.000 0.008 0.000 3/33264 400.0 0.399 0.408 0.189 0.000 0.008 0.000 3/33264 410.0 0.390 0.399 0.185 0.000 0.007 0.000 3/33264 420.0 0.382 0.391 0.181 0.000 0.007 0.000 3/33264 430.0 0.374 0.383 0.177 0.000 0.007 0.000 3/33264 440.0 0.366 0.375 0.174 0.000 0.007 0.000 3/33264 450.0 0.358 0.367 0.170 0.000 0.007 0.000 3/33264 460.0 0.351 0.360 0.167 0.000 0.007 0.000 3/33264 470.0 0.344 0.353 0.164 0.000 0.007 0.000 3/33264 480.0 0.337 0.346 0.160 0.000 0.007 0.000 3/33264 490.0 0.331 0.340 0.157 0.000 0.006 0.000 3/33264 500.0 0.325 0.334 0.155 0.000 0.006 0.000 3/33264 510.0 0.319 0.328 0.152 0.000 0.006 0.000 3/33264 520.0 0.313 0.322 0.149 0.000 0.006 0.000 3/33264 530.0 0.307 0.316 0.147 0.000 0.006 0.000 3/33264 540.0 0.302 0.311 0.144 0.000 0.006 0.000 3/33264 550.0 0.297 0.306 0.142 0.000 0.006 0.000 3/33264 560.0 0.292 0.301 0.139 0.000 0.006 0.000 3/33264 570.0 0.287 0.296 0.137 0.000 0.006 0.000 3/33264 580.0 0.282 0.291 0.135 0.000 0.006 0.000 3/33264 590.0 0.278 0.287 0.133 0.000 0.005 0.000 3/33264 600.0 0.273 0.282 0.131 0.000 0.005 0.000 3/33264 610.0 0.269 0.278 0.129 0.000 0.005 0.000 3/33264 620.0 0.265 0.274 0.127 0.000 0.005 0.000 3/33264 630.0 0.261 0.269 0.125 0.000 0.005 0.000 3/33264 640.0 0.257 0.266 0.123 0.000 0.005 0.000 3/33264 650.0 0.253 0.262 0.121 0.000 0.005 0.000 3/33264 660.0 0.249 0.258 0.119 0.000 0.005 0.000 3/33264 670.0 0.246 0.254 0.118 0.000 0.005 0.000 3/33264 680.0 0.242 0.251 0.116 0.000 0.005 0.000 3/33264 690.0 0.239 0.247 0.114 0.000 0.005 0.000 3/33264 700.0 0.236 0.244 0.113 0.000 0.005 0.000 3/33264 710.0 0.233 0.241 0.111 0.000 0.005 0.000 3/33264 720.0 0.229 0.238 0.110 0.000 0.005 0.000 3/33264 730.0 0.226 0.234 0.109 0.000 0.005 0.000 3/33264 740.0 0.223 0.231 0.107 0.000 0.004 0.000 3/33264 750.0 0.221 0.228 0.106 0.000 0.004 0.000 3/33264 760.0 0.218 0.226 0.104 0.000 0.004 0.000 3/33264 770.0 0.215 0.223 0.103 0.000 0.004 0.000 3/33264 780.0 0.212 0.220 0.102 0.000 0.004 0.000 3/33264 790.0 0.210 0.217 0.101 0.000 0.004 0.000 3/33264 800.0 0.207 0.215 0.099 0.000 0.004 0.000 3/33264 810.0 0.205 0.212 0.098 0.000 0.004 0.000 3/33264 820.0 0.202 0.210 0.097 0.000 0.004 0.000 3/33264 830.0 0.200 0.207 0.096 0.000 0.004 0.000 3/33264 840.0 0.198 0.205 0.095 0.000 0.004 0.000 3/33264 850.0 0.195 0.203 0.094 0.000 0.004 0.000 3/33264 860.0 0.193 0.200 0.093 0.000 0.004 0.000 3/33264 870.0 0.191 0.198 0.092 0.000 0.004 0.000 3/33264 880.0 0.189 0.196 0.091 0.000 0.004 0.000 3/33264 890.0 0.187 0.194 0.090 0.000 0.004 0.000 3/33264 900.0 0.185 0.192 0.089 0.000 0.004 0.000 3/33264 910.0 0.183 0.190 0.088 0.000 0.004 0.000 3/33264 920.0 0.181 0.188 0.087 0.000 0.004 0.000 3/33264 930.0 0.179 0.186 0.086 0.000 0.004 0.000 3/33264 940.0 0.177 0.184 0.085 0.000 0.004 0.000 3/33264 950.0 0.175 0.182 0.084 0.000 0.004 0.000 3/33264 960.0 0.174 0.180 0.083 0.000 0.004 0.000 3/33264 970.0 0.172 0.178 0.083 0.000 0.003 0.000 3/33264 980.0 0.170 0.177 0.082 0.000 0.003 0.000 3/33264 990.0 0.168 0.175 0.081 0.000 0.003 0.000 3/33264 1000.0 0.167 0.173 0.080 0.000 0.003 0.000 3/33264 Thermal conductivity related properties were written into "kappa-m978.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:14:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|