----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:20:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.620129531214520 0.000000000000000 0.000000000000000 b 0.000000000000000 6.762965860000002 0.000000000000000 c -3.527924764224863 0.000000000000000 7.244098818819324 Atomic positions (fractional): *1 O 0.05490568729530 0.74381961764256 0.50956069409360 15.999 2 O 0.94509431270470 0.24381961764256 0.99043930590640 15.999 3 O 0.94509431270470 0.25618038235744 0.49043930590640 15.999 4 O 0.05490568729530 0.75618038235744 0.00956069409360 15.999 *5 O 0.31290197604644 0.65269838766894 0.35203874173124 15.999 6 O 0.68709802395356 0.15269838766894 0.14796125826876 15.999 7 O 0.68709802395356 0.34730161233106 0.64796125826876 15.999 8 O 0.31290197604644 0.84730161233106 0.85203874173124 15.999 *9 O 0.68935392864769 0.95181969145320 0.44218356831908 15.999 10 O 0.31064607135231 0.45181969145320 0.05781643168092 15.999 11 O 0.31064607135231 0.04818030854681 0.55781643168092 15.999 12 O 0.68935392864769 0.54818030854680 0.94218356831908 15.999 *13 O 0.68922576808730 0.95131523933356 0.79187013274054 15.999 14 O 0.31077423191270 0.45131523933356 0.70812986725946 15.999 15 O 0.31077423191270 0.04868476066644 0.20812986725946 15.999 16 O 0.68922576808730 0.54868476066644 0.29187013274055 15.999 *17 I 0.86846322539458 0.87104610333927 0.69283492036915 126.904 18 I 0.13153677460542 0.37104610333927 0.80716507963085 126.904 19 I 0.13153677460542 0.12895389666073 0.30716507963085 126.904 20 I 0.86846322539458 0.62895389666073 0.19283492036915 126.904 *21 I 0.32496096036226 0.74188360690011 0.14372941389225 126.904 22 I 0.67503903963774 0.24188360690011 0.35627058610775 126.904 23 I 0.67503903963774 0.25811639309989 0.85627058610775 126.904 24 I 0.32496096036226 0.75811639309989 0.64372941389225 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.620129531214520 0.000000000000000 0.000000000000000 b 0.000000000000000 6.762965860000002 0.000000000000000 c -3.527924764224863 0.000000000000000 7.244098818819324 Atomic positions (fractional): *1 O 0.05490568729530 0.74381961764256 0.50956069409360 15.999 > 1 2 O 0.94509431270470 0.24381961764256 0.99043930590640 15.999 > 2 3 O 0.94509431270470 0.25618038235744 0.49043930590640 15.999 > 3 4 O 0.05490568729530 0.75618038235744 0.00956069409360 15.999 > 4 *5 O 0.31290197604644 0.65269838766894 0.35203874173124 15.999 > 5 6 O 0.68709802395356 0.15269838766894 0.14796125826876 15.999 > 6 7 O 0.68709802395356 0.34730161233106 0.64796125826876 15.999 > 7 8 O 0.31290197604644 0.84730161233106 0.85203874173124 15.999 > 8 *9 O 0.68935392864769 0.95181969145320 0.44218356831908 15.999 > 9 10 O 0.31064607135231 0.45181969145320 0.05781643168092 15.999 > 10 11 O 0.31064607135231 0.04818030854681 0.55781643168092 15.999 > 11 12 O 0.68935392864769 0.54818030854680 0.94218356831908 15.999 > 12 *13 O 0.68922576808730 0.95131523933356 0.79187013274054 15.999 > 13 14 O 0.31077423191270 0.45131523933356 0.70812986725946 15.999 > 14 15 O 0.31077423191270 0.04868476066644 0.20812986725946 15.999 > 15 16 O 0.68922576808730 0.54868476066644 0.29187013274055 15.999 > 16 *17 I 0.86846322539458 0.87104610333927 0.69283492036915 126.904 > 17 18 I 0.13153677460542 0.37104610333927 0.80716507963085 126.904 > 18 19 I 0.13153677460542 0.12895389666073 0.30716507963085 126.904 > 19 20 I 0.86846322539458 0.62895389666073 0.19283492036915 126.904 > 20 *21 I 0.32496096036226 0.74188360690011 0.14372941389225 126.904 > 21 22 I 0.67503903963774 0.24188360690011 0.35627058610775 126.904 > 22 23 I 0.67503903963774 0.25811639309989 0.85627058610775 126.904 > 23 24 I 0.32496096036226 0.75811639309989 0.64372941389225 126.904 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.240259062429040 0.000000000000000 0.000000000000000 b 0.000000000000000 13.525931720000004 0.000000000000000 c -3.527924764224863 0.000000000000000 7.244098818819324 Atomic positions (fractional): *1 O 0.02745284364765 0.37190980882128 0.50956069409360 15.999 > 1 2 O 0.52745284364765 0.37190980882128 0.50956069409360 15.999 > 1 3 O 0.02745284364765 0.87190980882128 0.50956069409360 15.999 > 1 4 O 0.52745284364765 0.87190980882128 0.50956069409360 15.999 > 1 5 O 0.47254715635235 0.12190980882128 0.99043930590640 15.999 > 2 6 O 0.97254715635235 0.12190980882128 0.99043930590640 15.999 > 2 7 O 0.47254715635235 0.62190980882128 0.99043930590640 15.999 > 2 8 O 0.97254715635235 0.62190980882128 0.99043930590640 15.999 > 2 9 O 0.47254715635235 0.12809019117872 0.49043930590640 15.999 > 3 10 O 0.97254715635235 0.12809019117872 0.49043930590640 15.999 > 3 11 O 0.47254715635235 0.62809019117872 0.49043930590640 15.999 > 3 12 O 0.97254715635235 0.62809019117872 0.49043930590640 15.999 > 3 13 O 0.02745284364765 0.37809019117872 0.00956069409360 15.999 > 4 14 O 0.52745284364765 0.37809019117872 0.00956069409360 15.999 > 4 15 O 0.02745284364765 0.87809019117872 0.00956069409360 15.999 > 4 16 O 0.52745284364765 0.87809019117872 0.00956069409360 15.999 > 4 *17 O 0.15645098802322 0.32634919383447 0.35203874173124 15.999 > 5 18 O 0.65645098802322 0.32634919383447 0.35203874173124 15.999 > 5 19 O 0.15645098802322 0.82634919383447 0.35203874173124 15.999 > 5 20 O 0.65645098802322 0.82634919383447 0.35203874173124 15.999 > 5 21 O 0.34354901197678 0.07634919383447 0.14796125826876 15.999 > 6 22 O 0.84354901197678 0.07634919383447 0.14796125826876 15.999 > 6 23 O 0.34354901197678 0.57634919383447 0.14796125826876 15.999 > 6 24 O 0.84354901197678 0.57634919383447 0.14796125826876 15.999 > 6 25 O 0.34354901197678 0.17365080616553 0.64796125826876 15.999 > 7 26 O 0.84354901197678 0.17365080616553 0.64796125826876 15.999 > 7 27 O 0.34354901197678 0.67365080616553 0.64796125826876 15.999 > 7 28 O 0.84354901197678 0.67365080616553 0.64796125826876 15.999 > 7 29 O 0.15645098802322 0.42365080616553 0.85203874173124 15.999 > 8 30 O 0.65645098802322 0.42365080616553 0.85203874173124 15.999 > 8 31 O 0.15645098802322 0.92365080616553 0.85203874173124 15.999 > 8 32 O 0.65645098802322 0.92365080616553 0.85203874173124 15.999 > 8 *33 O 0.34467696432384 0.47590984572660 0.44218356831908 15.999 > 9 34 O 0.84467696432384 0.47590984572660 0.44218356831908 15.999 > 9 35 O 0.34467696432384 0.97590984572660 0.44218356831908 15.999 > 9 36 O 0.84467696432384 0.97590984572660 0.44218356831908 15.999 > 9 37 O 0.15532303567615 0.22590984572660 0.05781643168092 15.999 > 10 38 O 0.65532303567616 0.22590984572660 0.05781643168092 15.999 > 10 39 O 0.15532303567615 0.72590984572660 0.05781643168092 15.999 > 10 40 O 0.65532303567616 0.72590984572660 0.05781643168092 15.999 > 10 41 O 0.15532303567615 0.02409015427340 0.55781643168092 15.999 > 11 42 O 0.65532303567616 0.02409015427340 0.55781643168092 15.999 > 11 43 O 0.15532303567615 0.52409015427340 0.55781643168092 15.999 > 11 44 O 0.65532303567616 0.52409015427340 0.55781643168092 15.999 > 11 45 O 0.34467696432384 0.27409015427340 0.94218356831908 15.999 > 12 46 O 0.84467696432384 0.27409015427340 0.94218356831908 15.999 > 12 47 O 0.34467696432384 0.77409015427340 0.94218356831908 15.999 > 12 48 O 0.84467696432384 0.77409015427340 0.94218356831908 15.999 > 12 *49 O 0.34461288404365 0.47565761966678 0.79187013274054 15.999 > 13 50 O 0.84461288404365 0.47565761966678 0.79187013274054 15.999 > 13 51 O 0.34461288404365 0.97565761966678 0.79187013274054 15.999 > 13 52 O 0.84461288404365 0.97565761966678 0.79187013274054 15.999 > 13 53 O 0.15538711595635 0.22565761966678 0.70812986725946 15.999 > 14 54 O 0.65538711595635 0.22565761966678 0.70812986725946 15.999 > 14 55 O 0.15538711595635 0.72565761966678 0.70812986725946 15.999 > 14 56 O 0.65538711595635 0.72565761966678 0.70812986725946 15.999 > 14 57 O 0.15538711595635 0.02434238033322 0.20812986725946 15.999 > 15 58 O 0.65538711595635 0.02434238033322 0.20812986725946 15.999 > 15 59 O 0.15538711595635 0.52434238033322 0.20812986725946 15.999 > 15 60 O 0.65538711595635 0.52434238033322 0.20812986725946 15.999 > 15 61 O 0.34461288404365 0.27434238033322 0.29187013274055 15.999 > 16 62 O 0.84461288404365 0.27434238033322 0.29187013274055 15.999 > 16 63 O 0.34461288404365 0.77434238033322 0.29187013274055 15.999 > 16 64 O 0.84461288404365 0.77434238033322 0.29187013274055 15.999 > 16 *65 I 0.43423161269729 0.43552305166964 0.69283492036915 126.904 > 17 66 I 0.93423161269729 0.43552305166964 0.69283492036915 126.904 > 17 67 I 0.43423161269729 0.93552305166964 0.69283492036915 126.904 > 17 68 I 0.93423161269729 0.93552305166964 0.69283492036915 126.904 > 17 69 I 0.06576838730271 0.18552305166964 0.80716507963085 126.904 > 18 70 I 0.56576838730271 0.18552305166964 0.80716507963085 126.904 > 18 71 I 0.06576838730271 0.68552305166964 0.80716507963085 126.904 > 18 72 I 0.56576838730271 0.68552305166964 0.80716507963085 126.904 > 18 73 I 0.06576838730271 0.06447694833036 0.30716507963085 126.904 > 19 74 I 0.56576838730271 0.06447694833036 0.30716507963085 126.904 > 19 75 I 0.06576838730271 0.56447694833036 0.30716507963085 126.904 > 19 76 I 0.56576838730271 0.56447694833036 0.30716507963085 126.904 > 19 77 I 0.43423161269729 0.31447694833036 0.19283492036915 126.904 > 20 78 I 0.93423161269729 0.31447694833036 0.19283492036915 126.904 > 20 79 I 0.43423161269729 0.81447694833036 0.19283492036915 126.904 > 20 80 I 0.93423161269729 0.81447694833036 0.19283492036915 126.904 > 20 *81 I 0.16248048018113 0.37094180345006 0.14372941389225 126.904 > 21 82 I 0.66248048018113 0.37094180345006 0.14372941389225 126.904 > 21 83 I 0.16248048018113 0.87094180345006 0.14372941389225 126.904 > 21 84 I 0.66248048018113 0.87094180345006 0.14372941389225 126.904 > 21 85 I 0.33751951981887 0.12094180345006 0.35627058610775 126.904 > 22 86 I 0.83751951981887 0.12094180345006 0.35627058610775 126.904 > 22 87 I 0.33751951981887 0.62094180345006 0.35627058610775 126.904 > 22 88 I 0.83751951981887 0.62094180345006 0.35627058610775 126.904 > 22 89 I 0.33751951981887 0.12905819654994 0.85627058610775 126.904 > 23 90 I 0.83751951981887 0.12905819654994 0.85627058610775 126.904 > 23 91 I 0.33751951981887 0.62905819654994 0.85627058610775 126.904 > 23 92 I 0.83751951981887 0.62905819654994 0.85627058610775 126.904 > 23 93 I 0.16248048018113 0.37905819654994 0.64372941389225 126.904 > 24 94 I 0.66248048018113 0.37905819654994 0.64372941389225 126.904 > 24 95 I 0.16248048018113 0.87905819654994 0.64372941389225 126.904 > 24 96 I 0.66248048018113 0.87905819654994 0.64372941389225 126.904 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4927625 0.0000000 -0.7580393 0.0000000 5.7276706 0.0000000 -0.7580380 0.0000000 7.4448420 -------------------------- Born effective charges -------------------------- 1 O -2.1904856 0.1663079 -0.0079938 -0.0400669 -1.3160309 -0.7993871 -0.6158241 -0.3576506 -2.8699221 2 O -2.1904856 -0.1663079 -0.0079938 0.0400669 -1.3160309 0.7993871 -0.6158241 0.3576506 -2.8699221 3 O -2.1904856 0.1663079 -0.0079938 -0.0400669 -1.3160309 -0.7993871 -0.6158241 -0.3576506 -2.8699221 4 O -2.1904856 -0.1663079 -0.0079938 0.0400669 -1.3160309 0.7993871 -0.6158241 0.3576506 -2.8699221 5 O -1.7447891 -0.0269196 0.8604100 -0.0806230 -1.0983181 0.0689299 1.5765725 0.2584806 -3.7936945 6 O -1.7447891 0.0269196 0.8604100 0.0806230 -1.0983181 -0.0689299 1.5765725 -0.2584806 -3.7936945 7 O -1.7447891 -0.0269196 0.8604100 -0.0806230 -1.0983181 0.0689299 1.5765725 0.2584806 -3.7936945 8 O -1.7447891 0.0269196 0.8604100 0.0806230 -1.0983181 -0.0689299 1.5765725 -0.2584806 -3.7936945 9 O -0.8719517 -0.4576857 0.1468899 0.3245674 -2.3254487 1.0484791 -0.5937640 1.7101908 -2.9320124 10 O -0.8719517 0.4576857 0.1468899 -0.3245674 -2.3254487 -1.0484791 -0.5937640 -1.7101908 -2.9320124 11 O -0.8719517 -0.4576857 0.1468899 0.3245674 -2.3254487 1.0484791 -0.5937640 1.7101908 -2.9320124 12 O -0.8719517 0.4576857 0.1468899 -0.3245674 -2.3254487 -1.0484791 -0.5937640 -1.7101908 -2.9320124 13 O -2.5872747 0.6082672 0.3518918 0.7384757 -2.3846628 -0.4959117 0.8353963 -1.2144235 -1.4125612 14 O -2.5872747 -0.6082672 0.3518918 -0.7384757 -2.3846628 0.4959117 0.8353963 1.2144235 -1.4125612 15 O -2.5872747 0.6082672 0.3518918 0.7384757 -2.3846628 -0.4959117 0.8353963 -1.2144235 -1.4125612 16 O -2.5872747 -0.6082672 0.3518918 -0.7384757 -2.3846628 0.4959117 0.8353963 1.2144235 -1.4125612 17 I 3.2025053 -1.1453708 -0.9251752 -1.7561816 1.5008025 -1.3407451 -0.6383805 -0.8186783 4.8977615 18 I 3.2025053 1.1453708 -0.9251752 1.7561816 1.5008025 1.3407451 -0.6383805 0.8186783 4.8977615 19 I 3.2025053 -1.1453708 -0.9251752 -1.7561816 1.5008025 -1.3407451 -0.6383805 -0.8186783 4.8977615 20 I 3.2025053 1.1453708 -0.9251752 1.7561816 1.5008025 1.3407451 -0.6383805 0.8186783 4.8977615 21 I 4.1919958 -0.9651617 -0.4260227 -1.0501549 5.6236578 0.7826881 -0.5640002 1.6629843 6.1104287 22 I 4.1919958 0.9651617 -0.4260227 1.0501549 5.6236578 -0.7826881 -0.5640002 -1.6629843 6.1104287 23 I 4.1919958 -0.9651617 -0.4260227 -1.0501549 5.6236578 0.7826881 -0.5640002 1.6629843 6.1104287 24 I 4.1919958 0.9651617 -0.4260227 1.0501549 5.6236578 -0.7826881 -0.5640002 -1.6629843 6.1104287 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 0.895 Solver_block: 200 / 720 - Time: 0.820 Solver_block: 300 / 720 - Time: 0.820 Solver_block: 400 / 720 - Time: 1.005 Solver_block: 500 / 720 - Time: 0.869 Solver_block: 600 / 720 - Time: 0.865 Solver_block: 700 / 720 - Time: 0.878 Solver_block: 720 / 720 - Time: 0.266 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.524 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:20:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:20:56]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.620129531214520 0.000000000000000 0.000000000000000 b 0.000000000000000 6.762965860000002 0.000000000000000 c -3.527924764224863 0.000000000000000 7.244098818819324 Atomic positions (fractional): 1 O 0.05490568729530 0.74381961764256 0.50956069409360 15.999 2 O 0.94509431270470 0.24381961764256 0.99043930590640 15.999 3 O 0.94509431270470 0.25618038235744 0.49043930590640 15.999 4 O 0.05490568729530 0.75618038235744 0.00956069409360 15.999 5 O 0.31290197604644 0.65269838766894 0.35203874173124 15.999 6 O 0.68709802395356 0.15269838766894 0.14796125826876 15.999 7 O 0.68709802395356 0.34730161233106 0.64796125826876 15.999 8 O 0.31290197604644 0.84730161233106 0.85203874173124 15.999 9 O 0.68935392864769 0.95181969145320 0.44218356831908 15.999 10 O 0.31064607135231 0.45181969145320 0.05781643168092 15.999 11 O 0.31064607135231 0.04818030854681 0.55781643168092 15.999 12 O 0.68935392864769 0.54818030854680 0.94218356831908 15.999 13 O 0.68922576808730 0.95131523933356 0.79187013274054 15.999 14 O 0.31077423191270 0.45131523933356 0.70812986725946 15.999 15 O 0.31077423191270 0.04868476066644 0.20812986725946 15.999 16 O 0.68922576808730 0.54868476066644 0.29187013274055 15.999 17 I 0.86846322539458 0.87104610333927 0.69283492036915 126.904 18 I 0.13153677460542 0.37104610333927 0.80716507963085 126.904 19 I 0.13153677460542 0.12895389666073 0.30716507963085 126.904 20 I 0.86846322539458 0.62895389666073 0.19283492036915 126.904 21 I 0.32496096036226 0.74188360690011 0.14372941389225 126.904 22 I 0.67503903963774 0.24188360690011 0.35627058610775 126.904 23 I 0.67503903963774 0.25811639309989 0.85627058610775 126.904 24 I 0.32496096036226 0.75811639309989 0.64372941389225 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.240259062429040 0.000000000000000 0.000000000000000 b 0.000000000000000 13.525931720000004 0.000000000000000 c -3.527924764224863 0.000000000000000 7.244098818819324 Atomic positions (fractional): 1 O 0.02745284364765 0.37190980882128 0.50956069409360 15.999 > 1 2 O 0.52745284364765 0.37190980882128 0.50956069409360 15.999 > 1 3 O 0.02745284364765 0.87190980882128 0.50956069409360 15.999 > 1 4 O 0.52745284364765 0.87190980882128 0.50956069409360 15.999 > 1 5 O 0.47254715635235 0.12190980882128 0.99043930590640 15.999 > 5 6 O 0.97254715635235 0.12190980882128 0.99043930590640 15.999 > 5 7 O 0.47254715635235 0.62190980882128 0.99043930590640 15.999 > 5 8 O 0.97254715635235 0.62190980882128 0.99043930590640 15.999 > 5 9 O 0.47254715635235 0.12809019117872 0.49043930590640 15.999 > 9 10 O 0.97254715635235 0.12809019117872 0.49043930590640 15.999 > 9 11 O 0.47254715635235 0.62809019117872 0.49043930590640 15.999 > 9 12 O 0.97254715635235 0.62809019117872 0.49043930590640 15.999 > 9 13 O 0.02745284364765 0.37809019117872 0.00956069409360 15.999 > 13 14 O 0.52745284364765 0.37809019117872 0.00956069409360 15.999 > 13 15 O 0.02745284364765 0.87809019117872 0.00956069409360 15.999 > 13 16 O 0.52745284364765 0.87809019117872 0.00956069409360 15.999 > 13 17 O 0.15645098802322 0.32634919383447 0.35203874173124 15.999 > 17 18 O 0.65645098802322 0.32634919383447 0.35203874173124 15.999 > 17 19 O 0.15645098802322 0.82634919383447 0.35203874173124 15.999 > 17 20 O 0.65645098802322 0.82634919383447 0.35203874173124 15.999 > 17 21 O 0.34354901197678 0.07634919383447 0.14796125826876 15.999 > 21 22 O 0.84354901197678 0.07634919383447 0.14796125826876 15.999 > 21 23 O 0.34354901197678 0.57634919383447 0.14796125826876 15.999 > 21 24 O 0.84354901197678 0.57634919383447 0.14796125826876 15.999 > 21 25 O 0.34354901197678 0.17365080616553 0.64796125826876 15.999 > 25 26 O 0.84354901197678 0.17365080616553 0.64796125826876 15.999 > 25 27 O 0.34354901197678 0.67365080616553 0.64796125826876 15.999 > 25 28 O 0.84354901197678 0.67365080616553 0.64796125826876 15.999 > 25 29 O 0.15645098802322 0.42365080616553 0.85203874173124 15.999 > 29 30 O 0.65645098802322 0.42365080616553 0.85203874173124 15.999 > 29 31 O 0.15645098802322 0.92365080616553 0.85203874173124 15.999 > 29 32 O 0.65645098802322 0.92365080616553 0.85203874173124 15.999 > 29 33 O 0.34467696432384 0.47590984572660 0.44218356831908 15.999 > 33 34 O 0.84467696432384 0.47590984572660 0.44218356831908 15.999 > 33 35 O 0.34467696432384 0.97590984572660 0.44218356831908 15.999 > 33 36 O 0.84467696432384 0.97590984572660 0.44218356831908 15.999 > 33 37 O 0.15532303567615 0.22590984572660 0.05781643168092 15.999 > 37 38 O 0.65532303567616 0.22590984572660 0.05781643168092 15.999 > 37 39 O 0.15532303567615 0.72590984572660 0.05781643168092 15.999 > 37 40 O 0.65532303567616 0.72590984572660 0.05781643168092 15.999 > 37 41 O 0.15532303567615 0.02409015427340 0.55781643168092 15.999 > 41 42 O 0.65532303567616 0.02409015427340 0.55781643168092 15.999 > 41 43 O 0.15532303567615 0.52409015427340 0.55781643168092 15.999 > 41 44 O 0.65532303567616 0.52409015427340 0.55781643168092 15.999 > 41 45 O 0.34467696432384 0.27409015427340 0.94218356831908 15.999 > 45 46 O 0.84467696432384 0.27409015427340 0.94218356831908 15.999 > 45 47 O 0.34467696432384 0.77409015427340 0.94218356831908 15.999 > 45 48 O 0.84467696432384 0.77409015427340 0.94218356831908 15.999 > 45 49 O 0.34461288404365 0.47565761966678 0.79187013274054 15.999 > 49 50 O 0.84461288404365 0.47565761966678 0.79187013274054 15.999 > 49 51 O 0.34461288404365 0.97565761966678 0.79187013274054 15.999 > 49 52 O 0.84461288404365 0.97565761966678 0.79187013274054 15.999 > 49 53 O 0.15538711595635 0.22565761966678 0.70812986725946 15.999 > 53 54 O 0.65538711595635 0.22565761966678 0.70812986725946 15.999 > 53 55 O 0.15538711595635 0.72565761966678 0.70812986725946 15.999 > 53 56 O 0.65538711595635 0.72565761966678 0.70812986725946 15.999 > 53 57 O 0.15538711595635 0.02434238033322 0.20812986725946 15.999 > 57 58 O 0.65538711595635 0.02434238033322 0.20812986725946 15.999 > 57 59 O 0.15538711595635 0.52434238033322 0.20812986725946 15.999 > 57 60 O 0.65538711595635 0.52434238033322 0.20812986725946 15.999 > 57 61 O 0.34461288404365 0.27434238033322 0.29187013274055 15.999 > 61 62 O 0.84461288404365 0.27434238033322 0.29187013274055 15.999 > 61 63 O 0.34461288404365 0.77434238033322 0.29187013274055 15.999 > 61 64 O 0.84461288404365 0.77434238033322 0.29187013274055 15.999 > 61 65 I 0.43423161269729 0.43552305166964 0.69283492036915 126.904 > 65 66 I 0.93423161269729 0.43552305166964 0.69283492036915 126.904 > 65 67 I 0.43423161269729 0.93552305166964 0.69283492036915 126.904 > 65 68 I 0.93423161269729 0.93552305166964 0.69283492036915 126.904 > 65 69 I 0.06576838730271 0.18552305166964 0.80716507963085 126.904 > 69 70 I 0.56576838730271 0.18552305166964 0.80716507963085 126.904 > 69 71 I 0.06576838730271 0.68552305166964 0.80716507963085 126.904 > 69 72 I 0.56576838730271 0.68552305166964 0.80716507963085 126.904 > 69 73 I 0.06576838730271 0.06447694833036 0.30716507963085 126.904 > 73 74 I 0.56576838730271 0.06447694833036 0.30716507963085 126.904 > 73 75 I 0.06576838730271 0.56447694833036 0.30716507963085 126.904 > 73 76 I 0.56576838730271 0.56447694833036 0.30716507963085 126.904 > 73 77 I 0.43423161269729 0.31447694833036 0.19283492036915 126.904 > 77 78 I 0.93423161269729 0.31447694833036 0.19283492036915 126.904 > 77 79 I 0.43423161269729 0.81447694833036 0.19283492036915 126.904 > 77 80 I 0.93423161269729 0.81447694833036 0.19283492036915 126.904 > 77 81 I 0.16248048018113 0.37094180345006 0.14372941389225 126.904 > 81 82 I 0.66248048018113 0.37094180345006 0.14372941389225 126.904 > 81 83 I 0.16248048018113 0.87094180345006 0.14372941389225 126.904 > 81 84 I 0.66248048018113 0.87094180345006 0.14372941389225 126.904 > 81 85 I 0.33751951981887 0.12094180345006 0.35627058610775 126.904 > 85 86 I 0.83751951981887 0.12094180345006 0.35627058610775 126.904 > 85 87 I 0.33751951981887 0.62094180345006 0.35627058610775 126.904 > 85 88 I 0.83751951981887 0.62094180345006 0.35627058610775 126.904 > 85 89 I 0.33751951981887 0.12905819654994 0.85627058610775 126.904 > 89 90 I 0.83751951981887 0.12905819654994 0.85627058610775 126.904 > 89 91 I 0.33751951981887 0.62905819654994 0.85627058610775 126.904 > 89 92 I 0.83751951981887 0.62905819654994 0.85627058610775 126.904 > 89 93 I 0.16248048018113 0.37905819654994 0.64372941389225 126.904 > 93 94 I 0.66248048018113 0.37905819654994 0.64372941389225 126.904 > 93 95 I 0.16248048018113 0.87905819654994 0.64372941389225 126.904 > 93 96 I 0.66248048018113 0.87905819654994 0.64372941389225 126.904 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4927625 0.0000000 -0.7580393 0.0000000 5.7276706 0.0000000 -0.7580380 0.0000000 7.4448420 -------------------------- Born effective charges -------------------------- 1 O -2.1904856 0.1663079 -0.0079938 -0.0400669 -1.3160309 -0.7993871 -0.6158241 -0.3576506 -2.8699221 2 O -2.1904856 -0.1663079 -0.0079938 0.0400669 -1.3160309 0.7993871 -0.6158241 0.3576506 -2.8699221 3 O -2.1904856 0.1663079 -0.0079938 -0.0400669 -1.3160309 -0.7993871 -0.6158241 -0.3576506 -2.8699221 4 O -2.1904856 -0.1663079 -0.0079938 0.0400669 -1.3160309 0.7993871 -0.6158241 0.3576506 -2.8699221 5 O -1.7447891 -0.0269196 0.8604100 -0.0806230 -1.0983181 0.0689299 1.5765725 0.2584806 -3.7936945 6 O -1.7447891 0.0269196 0.8604100 0.0806230 -1.0983181 -0.0689299 1.5765725 -0.2584806 -3.7936945 7 O -1.7447891 -0.0269196 0.8604100 -0.0806230 -1.0983181 0.0689299 1.5765725 0.2584806 -3.7936945 8 O -1.7447891 0.0269196 0.8604100 0.0806230 -1.0983181 -0.0689299 1.5765725 -0.2584806 -3.7936945 9 O -0.8719517 -0.4576857 0.1468899 0.3245674 -2.3254487 1.0484791 -0.5937640 1.7101908 -2.9320124 10 O -0.8719517 0.4576857 0.1468899 -0.3245674 -2.3254487 -1.0484791 -0.5937640 -1.7101908 -2.9320124 11 O -0.8719517 -0.4576857 0.1468899 0.3245674 -2.3254487 1.0484791 -0.5937640 1.7101908 -2.9320124 12 O -0.8719517 0.4576857 0.1468899 -0.3245674 -2.3254487 -1.0484791 -0.5937640 -1.7101908 -2.9320124 13 O -2.5872747 0.6082672 0.3518918 0.7384757 -2.3846628 -0.4959117 0.8353963 -1.2144235 -1.4125612 14 O -2.5872747 -0.6082672 0.3518918 -0.7384757 -2.3846628 0.4959117 0.8353963 1.2144235 -1.4125612 15 O -2.5872747 0.6082672 0.3518918 0.7384757 -2.3846628 -0.4959117 0.8353963 -1.2144235 -1.4125612 16 O -2.5872747 -0.6082672 0.3518918 -0.7384757 -2.3846628 0.4959117 0.8353963 1.2144235 -1.4125612 17 I 3.2025053 -1.1453708 -0.9251752 -1.7561816 1.5008025 -1.3407451 -0.6383805 -0.8186783 4.8977615 18 I 3.2025053 1.1453708 -0.9251752 1.7561816 1.5008025 1.3407451 -0.6383805 0.8186783 4.8977615 19 I 3.2025053 -1.1453708 -0.9251752 -1.7561816 1.5008025 -1.3407451 -0.6383805 -0.8186783 4.8977615 20 I 3.2025053 1.1453708 -0.9251752 1.7561816 1.5008025 1.3407451 -0.6383805 0.8186783 4.8977615 21 I 4.1919958 -0.9651617 -0.4260227 -1.0501549 5.6236578 0.7826881 -0.5640002 1.6629843 6.1104287 22 I 4.1919958 0.9651617 -0.4260227 1.0501549 5.6236578 -0.7826881 -0.5640002 -1.6629843 6.1104287 23 I 4.1919958 -0.9651617 -0.4260227 -1.0501549 5.6236578 0.7826881 -0.5640002 1.6629843 6.1104287 24 I 4.1919958 0.9651617 -0.4260227 1.0501549 5.6236578 -0.7826881 -0.5640002 -1.6629843 6.1104287 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000011 (xxx) -0.00000011 (xxx) -0.00000011 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zy) 0.00000003 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:21:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:21:21]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.620129531214520 0.000000000000000 0.000000000000000 b 0.000000000000000 6.762965860000002 0.000000000000000 c -3.527924764224863 0.000000000000000 7.244098818819324 Atomic positions (fractional): 1 O 0.05490568729530 0.74381961764256 0.50956069409360 15.999 2 O 0.94509431270470 0.24381961764256 0.99043930590640 15.999 3 O 0.94509431270470 0.25618038235744 0.49043930590640 15.999 4 O 0.05490568729530 0.75618038235744 0.00956069409360 15.999 5 O 0.31290197604644 0.65269838766894 0.35203874173124 15.999 6 O 0.68709802395356 0.15269838766894 0.14796125826876 15.999 7 O 0.68709802395356 0.34730161233106 0.64796125826876 15.999 8 O 0.31290197604644 0.84730161233106 0.85203874173124 15.999 9 O 0.68935392864769 0.95181969145320 0.44218356831908 15.999 10 O 0.31064607135231 0.45181969145320 0.05781643168092 15.999 11 O 0.31064607135231 0.04818030854681 0.55781643168092 15.999 12 O 0.68935392864769 0.54818030854680 0.94218356831908 15.999 13 O 0.68922576808730 0.95131523933356 0.79187013274054 15.999 14 O 0.31077423191270 0.45131523933356 0.70812986725946 15.999 15 O 0.31077423191270 0.04868476066644 0.20812986725946 15.999 16 O 0.68922576808730 0.54868476066644 0.29187013274055 15.999 17 I 0.86846322539458 0.87104610333927 0.69283492036915 126.904 18 I 0.13153677460542 0.37104610333927 0.80716507963085 126.904 19 I 0.13153677460542 0.12895389666073 0.30716507963085 126.904 20 I 0.86846322539458 0.62895389666073 0.19283492036915 126.904 21 I 0.32496096036226 0.74188360690011 0.14372941389225 126.904 22 I 0.67503903963774 0.24188360690011 0.35627058610775 126.904 23 I 0.67503903963774 0.25811639309989 0.85627058610775 126.904 24 I 0.32496096036226 0.75811639309989 0.64372941389225 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.240259062429040 0.000000000000000 0.000000000000000 b 0.000000000000000 13.525931720000004 0.000000000000000 c -3.527924764224863 0.000000000000000 7.244098818819324 Atomic positions (fractional): 1 O 0.02745284364765 0.37190980882128 0.50956069409360 15.999 > 1 2 O 0.52745284364765 0.37190980882128 0.50956069409360 15.999 > 1 3 O 0.02745284364765 0.87190980882128 0.50956069409360 15.999 > 1 4 O 0.52745284364765 0.87190980882128 0.50956069409360 15.999 > 1 5 O 0.47254715635235 0.12190980882128 0.99043930590640 15.999 > 5 6 O 0.97254715635235 0.12190980882128 0.99043930590640 15.999 > 5 7 O 0.47254715635235 0.62190980882128 0.99043930590640 15.999 > 5 8 O 0.97254715635235 0.62190980882128 0.99043930590640 15.999 > 5 9 O 0.47254715635235 0.12809019117872 0.49043930590640 15.999 > 9 10 O 0.97254715635235 0.12809019117872 0.49043930590640 15.999 > 9 11 O 0.47254715635235 0.62809019117872 0.49043930590640 15.999 > 9 12 O 0.97254715635235 0.62809019117872 0.49043930590640 15.999 > 9 13 O 0.02745284364765 0.37809019117872 0.00956069409360 15.999 > 13 14 O 0.52745284364765 0.37809019117872 0.00956069409360 15.999 > 13 15 O 0.02745284364765 0.87809019117872 0.00956069409360 15.999 > 13 16 O 0.52745284364765 0.87809019117872 0.00956069409360 15.999 > 13 17 O 0.15645098802322 0.32634919383447 0.35203874173124 15.999 > 17 18 O 0.65645098802322 0.32634919383447 0.35203874173124 15.999 > 17 19 O 0.15645098802322 0.82634919383447 0.35203874173124 15.999 > 17 20 O 0.65645098802322 0.82634919383447 0.35203874173124 15.999 > 17 21 O 0.34354901197678 0.07634919383447 0.14796125826876 15.999 > 21 22 O 0.84354901197678 0.07634919383447 0.14796125826876 15.999 > 21 23 O 0.34354901197678 0.57634919383447 0.14796125826876 15.999 > 21 24 O 0.84354901197678 0.57634919383447 0.14796125826876 15.999 > 21 25 O 0.34354901197678 0.17365080616553 0.64796125826876 15.999 > 25 26 O 0.84354901197678 0.17365080616553 0.64796125826876 15.999 > 25 27 O 0.34354901197678 0.67365080616553 0.64796125826876 15.999 > 25 28 O 0.84354901197678 0.67365080616553 0.64796125826876 15.999 > 25 29 O 0.15645098802322 0.42365080616553 0.85203874173124 15.999 > 29 30 O 0.65645098802322 0.42365080616553 0.85203874173124 15.999 > 29 31 O 0.15645098802322 0.92365080616553 0.85203874173124 15.999 > 29 32 O 0.65645098802322 0.92365080616553 0.85203874173124 15.999 > 29 33 O 0.34467696432384 0.47590984572660 0.44218356831908 15.999 > 33 34 O 0.84467696432384 0.47590984572660 0.44218356831908 15.999 > 33 35 O 0.34467696432384 0.97590984572660 0.44218356831908 15.999 > 33 36 O 0.84467696432384 0.97590984572660 0.44218356831908 15.999 > 33 37 O 0.15532303567615 0.22590984572660 0.05781643168092 15.999 > 37 38 O 0.65532303567616 0.22590984572660 0.05781643168092 15.999 > 37 39 O 0.15532303567615 0.72590984572660 0.05781643168092 15.999 > 37 40 O 0.65532303567616 0.72590984572660 0.05781643168092 15.999 > 37 41 O 0.15532303567615 0.02409015427340 0.55781643168092 15.999 > 41 42 O 0.65532303567616 0.02409015427340 0.55781643168092 15.999 > 41 43 O 0.15532303567615 0.52409015427340 0.55781643168092 15.999 > 41 44 O 0.65532303567616 0.52409015427340 0.55781643168092 15.999 > 41 45 O 0.34467696432384 0.27409015427340 0.94218356831908 15.999 > 45 46 O 0.84467696432384 0.27409015427340 0.94218356831908 15.999 > 45 47 O 0.34467696432384 0.77409015427340 0.94218356831908 15.999 > 45 48 O 0.84467696432384 0.77409015427340 0.94218356831908 15.999 > 45 49 O 0.34461288404365 0.47565761966678 0.79187013274054 15.999 > 49 50 O 0.84461288404365 0.47565761966678 0.79187013274054 15.999 > 49 51 O 0.34461288404365 0.97565761966678 0.79187013274054 15.999 > 49 52 O 0.84461288404365 0.97565761966678 0.79187013274054 15.999 > 49 53 O 0.15538711595635 0.22565761966678 0.70812986725946 15.999 > 53 54 O 0.65538711595635 0.22565761966678 0.70812986725946 15.999 > 53 55 O 0.15538711595635 0.72565761966678 0.70812986725946 15.999 > 53 56 O 0.65538711595635 0.72565761966678 0.70812986725946 15.999 > 53 57 O 0.15538711595635 0.02434238033322 0.20812986725946 15.999 > 57 58 O 0.65538711595635 0.02434238033322 0.20812986725946 15.999 > 57 59 O 0.15538711595635 0.52434238033322 0.20812986725946 15.999 > 57 60 O 0.65538711595635 0.52434238033322 0.20812986725946 15.999 > 57 61 O 0.34461288404365 0.27434238033322 0.29187013274055 15.999 > 61 62 O 0.84461288404365 0.27434238033322 0.29187013274055 15.999 > 61 63 O 0.34461288404365 0.77434238033322 0.29187013274055 15.999 > 61 64 O 0.84461288404365 0.77434238033322 0.29187013274055 15.999 > 61 65 I 0.43423161269729 0.43552305166964 0.69283492036915 126.904 > 65 66 I 0.93423161269729 0.43552305166964 0.69283492036915 126.904 > 65 67 I 0.43423161269729 0.93552305166964 0.69283492036915 126.904 > 65 68 I 0.93423161269729 0.93552305166964 0.69283492036915 126.904 > 65 69 I 0.06576838730271 0.18552305166964 0.80716507963085 126.904 > 69 70 I 0.56576838730271 0.18552305166964 0.80716507963085 126.904 > 69 71 I 0.06576838730271 0.68552305166964 0.80716507963085 126.904 > 69 72 I 0.56576838730271 0.68552305166964 0.80716507963085 126.904 > 69 73 I 0.06576838730271 0.06447694833036 0.30716507963085 126.904 > 73 74 I 0.56576838730271 0.06447694833036 0.30716507963085 126.904 > 73 75 I 0.06576838730271 0.56447694833036 0.30716507963085 126.904 > 73 76 I 0.56576838730271 0.56447694833036 0.30716507963085 126.904 > 73 77 I 0.43423161269729 0.31447694833036 0.19283492036915 126.904 > 77 78 I 0.93423161269729 0.31447694833036 0.19283492036915 126.904 > 77 79 I 0.43423161269729 0.81447694833036 0.19283492036915 126.904 > 77 80 I 0.93423161269729 0.81447694833036 0.19283492036915 126.904 > 77 81 I 0.16248048018113 0.37094180345006 0.14372941389225 126.904 > 81 82 I 0.66248048018113 0.37094180345006 0.14372941389225 126.904 > 81 83 I 0.16248048018113 0.87094180345006 0.14372941389225 126.904 > 81 84 I 0.66248048018113 0.87094180345006 0.14372941389225 126.904 > 81 85 I 0.33751951981887 0.12094180345006 0.35627058610775 126.904 > 85 86 I 0.83751951981887 0.12094180345006 0.35627058610775 126.904 > 85 87 I 0.33751951981887 0.62094180345006 0.35627058610775 126.904 > 85 88 I 0.83751951981887 0.62094180345006 0.35627058610775 126.904 > 85 89 I 0.33751951981887 0.12905819654994 0.85627058610775 126.904 > 89 90 I 0.83751951981887 0.12905819654994 0.85627058610775 126.904 > 89 91 I 0.33751951981887 0.62905819654994 0.85627058610775 126.904 > 89 92 I 0.83751951981887 0.62905819654994 0.85627058610775 126.904 > 89 93 I 0.16248048018113 0.37905819654994 0.64372941389225 126.904 > 93 94 I 0.66248048018113 0.37905819654994 0.64372941389225 126.904 > 93 95 I 0.16248048018113 0.87905819654994 0.64372941389225 126.904 > 93 96 I 0.66248048018113 0.87905819654994 0.64372941389225 126.904 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4927625 0.0000000 -0.7580393 0.0000000 5.7276706 0.0000000 -0.7580380 0.0000000 7.4448420 -------------------------- Born effective charges -------------------------- 1 O -2.1904856 0.1663079 -0.0079938 -0.0400669 -1.3160309 -0.7993871 -0.6158241 -0.3576506 -2.8699221 2 O -2.1904856 -0.1663079 -0.0079938 0.0400669 -1.3160309 0.7993871 -0.6158241 0.3576506 -2.8699221 3 O -2.1904856 0.1663079 -0.0079938 -0.0400669 -1.3160309 -0.7993871 -0.6158241 -0.3576506 -2.8699221 4 O -2.1904856 -0.1663079 -0.0079938 0.0400669 -1.3160309 0.7993871 -0.6158241 0.3576506 -2.8699221 5 O -1.7447891 -0.0269196 0.8604100 -0.0806230 -1.0983181 0.0689299 1.5765725 0.2584806 -3.7936945 6 O -1.7447891 0.0269196 0.8604100 0.0806230 -1.0983181 -0.0689299 1.5765725 -0.2584806 -3.7936945 7 O -1.7447891 -0.0269196 0.8604100 -0.0806230 -1.0983181 0.0689299 1.5765725 0.2584806 -3.7936945 8 O -1.7447891 0.0269196 0.8604100 0.0806230 -1.0983181 -0.0689299 1.5765725 -0.2584806 -3.7936945 9 O -0.8719517 -0.4576857 0.1468899 0.3245674 -2.3254487 1.0484791 -0.5937640 1.7101908 -2.9320124 10 O -0.8719517 0.4576857 0.1468899 -0.3245674 -2.3254487 -1.0484791 -0.5937640 -1.7101908 -2.9320124 11 O -0.8719517 -0.4576857 0.1468899 0.3245674 -2.3254487 1.0484791 -0.5937640 1.7101908 -2.9320124 12 O -0.8719517 0.4576857 0.1468899 -0.3245674 -2.3254487 -1.0484791 -0.5937640 -1.7101908 -2.9320124 13 O -2.5872747 0.6082672 0.3518918 0.7384757 -2.3846628 -0.4959117 0.8353963 -1.2144235 -1.4125612 14 O -2.5872747 -0.6082672 0.3518918 -0.7384757 -2.3846628 0.4959117 0.8353963 1.2144235 -1.4125612 15 O -2.5872747 0.6082672 0.3518918 0.7384757 -2.3846628 -0.4959117 0.8353963 -1.2144235 -1.4125612 16 O -2.5872747 -0.6082672 0.3518918 -0.7384757 -2.3846628 0.4959117 0.8353963 1.2144235 -1.4125612 17 I 3.2025053 -1.1453708 -0.9251752 -1.7561816 1.5008025 -1.3407451 -0.6383805 -0.8186783 4.8977615 18 I 3.2025053 1.1453708 -0.9251752 1.7561816 1.5008025 1.3407451 -0.6383805 0.8186783 4.8977615 19 I 3.2025053 -1.1453708 -0.9251752 -1.7561816 1.5008025 -1.3407451 -0.6383805 -0.8186783 4.8977615 20 I 3.2025053 1.1453708 -0.9251752 1.7561816 1.5008025 1.3407451 -0.6383805 0.8186783 4.8977615 21 I 4.1919958 -0.9651617 -0.4260227 -1.0501549 5.6236578 0.7826881 -0.5640002 1.6629843 6.1104287 22 I 4.1919958 0.9651617 -0.4260227 1.0501549 5.6236578 -0.7826881 -0.5640002 -1.6629843 6.1104287 23 I 4.1919958 -0.9651617 -0.4260227 -1.0501549 5.6236578 0.7826881 -0.5640002 1.6629843 6.1104287 24 I 4.1919958 0.9651617 -0.4260227 1.0501549 5.6236578 -0.7826881 -0.5640002 -1.6629843 6.1104287 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (xxx) -0.00000011 (xxx) -0.00000011 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 291, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.395 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.869 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.436 ( 0.000 0.000 0.000) 0.000 9.687 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.478 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.655 ( 0.000 0.000 0.000) 0.000 11.690 ( 0.000 0.000 0.000) 0.000 11.942 ( 0.000 0.000 0.000) 0.000 12.274 ( 0.000 0.000 0.000) 0.000 12.304 ( 0.000 0.000 0.000) 0.000 15.160 ( 0.000 0.000 0.000) 0.000 15.829 ( 0.000 0.000 0.000) 0.000 16.411 ( 0.000 0.000 0.000) 0.000 16.741 ( 0.000 0.000 0.000) 0.000 17.138 ( 0.000 0.000 0.000) 0.000 17.414 ( 0.000 0.000 0.000) 0.000 17.651 ( 0.000 0.000 0.000) 0.000 17.790 ( 0.000 0.000 0.000) 0.000 19.203 ( 0.000 0.000 0.000) 0.000 19.456 ( 0.000 0.000 0.000) 0.000 19.640 ( 0.000 0.000 0.000) 0.000 19.697 ( 0.000 0.000 0.000) 0.000 20.410 ( 0.000 0.000 0.000) 0.000 20.642 ( 0.000 0.000 0.000) 0.000 23.271 ( 0.000 0.000 0.000) 0.000 23.292 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 17.727 0.000 -5.730) 18.630 0.387 ( 15.122 0.000 9.905) 18.077 0.585 ( 21.392 0.000 19.291) 28.805 1.411 ( -0.112 0.000 3.069) 3.071 1.585 ( -0.213 0.000 -1.184) 1.203 2.052 ( 1.796 0.000 3.763) 4.169 2.068 ( -0.680 0.000 -4.629) 4.679 2.320 ( 1.406 0.000 -3.061) 3.368 2.360 ( 0.769 0.000 7.536) 7.575 2.476 ( 1.421 0.000 1.661) 2.186 2.605 ( 2.102 0.000 0.862) 2.272 2.648 ( 1.917 0.000 0.061) 1.918 3.071 ( -0.639 0.000 1.295) 1.444 3.167 ( -0.740 0.000 -1.846) 1.989 3.185 ( -2.237 0.000 -1.178) 2.528 3.404 ( -4.054 0.000 -1.607) 4.361 3.825 ( -4.677 0.000 2.440) 5.275 3.985 ( -2.042 0.000 -2.003) 2.861 4.128 ( 0.968 0.000 2.546) 2.724 4.152 ( -1.066 0.000 2.486) 2.705 4.263 ( 2.480 0.000 1.884) 3.115 4.478 ( 1.417 0.000 2.542) 2.910 4.603 ( 1.285 0.000 -6.884) 7.003 4.770 ( 1.758 0.000 -5.659) 5.926 5.294 ( 2.704 0.000 -0.398) 2.733 5.307 ( 5.818 0.000 -14.674) 15.786 5.571 ( -11.466 0.000 12.647) 17.071 5.590 ( 0.275 0.000 0.804) 0.849 6.081 ( 1.109 0.000 5.071) 5.191 6.241 ( -10.368 0.000 15.077) 18.298 6.793 ( 0.255 0.000 0.941) 0.975 6.877 ( -2.601 0.000 0.269) 2.615 7.070 ( 2.080 0.000 -6.739) 7.053 7.121 ( -0.671 0.000 -0.983) 1.190 7.369 ( -0.116 0.000 1.617) 1.621 7.722 ( -11.669 0.000 -1.893) 11.821 7.865 ( -2.361 0.000 -2.411) 3.375 8.585 ( 7.477 0.000 11.331) 13.576 8.769 ( -2.176 0.000 2.818) 3.560 8.830 ( -5.981 0.000 -1.261) 6.112 9.155 ( -0.379 0.000 -4.300) 4.317 9.459 ( 2.395 0.000 2.267) 3.298 9.542 ( -13.402 0.000 12.835) 18.556 9.857 ( -2.705 0.000 19.891) 20.074 9.960 ( 0.426 0.000 6.203) 6.218 10.337 ( 7.146 0.000 0.278) 7.152 10.497 ( 1.209 0.000 -3.959) 4.139 10.604 ( -0.904 0.000 7.276) 7.332 10.937 ( -1.769 0.000 -3.310) 3.754 10.963 ( 18.798 0.000 -40.136) 44.320 11.124 ( 2.256 0.000 7.445) 7.779 11.657 ( -0.361 0.000 1.101) 1.159 11.675 ( -0.465 0.000 -1.752) 1.813 11.945 ( -0.799 0.000 1.925) 2.084 12.307 ( 1.331 0.000 -2.020) 2.419 12.308 ( 0.752 0.000 -15.626) 15.644 15.155 ( -0.864 0.000 0.891) 1.241 15.825 ( 2.023 0.000 -5.574) 5.930 16.323 ( -5.421 0.000 -3.776) 6.606 16.738 ( -3.800 0.000 4.458) 5.858 17.172 ( 6.609 0.000 -5.866) 8.837 17.516 ( 5.916 0.000 7.683) 9.697 17.572 ( -5.459 0.000 -3.792) 6.647 19.135 ( -1.567 0.000 19.253) 19.317 19.202 ( 0.027 0.000 -0.177) 0.179 19.427 ( -2.549 0.000 -0.817) 2.677 19.689 ( -3.698 0.000 6.650) 7.609 19.717 ( -14.024 0.000 30.703) 33.754 20.644 ( 0.887 0.000 -1.212) 1.502 21.083 ( -1.285 0.000 0.344) 1.330 23.273 ( 2.046 0.000 -3.814) 4.328 23.296 ( -1.881 0.000 4.623) 4.991 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 14.731 0.000 -4.567) 15.423 0.733 ( 12.603 0.000 7.830) 14.837 1.127 ( 16.822 0.000 17.506) 24.278 1.435 ( 0.128 0.000 2.675) 2.678 1.555 ( -1.893 0.000 -1.334) 2.316 2.021 ( 0.238 0.000 -4.340) 4.346 2.110 ( 0.025 0.000 2.847) 2.847 2.335 ( 3.418 0.000 -1.959) 3.940 2.438 ( 2.307 0.000 1.428) 2.713 2.530 ( 2.770 0.000 0.218) 2.779 2.673 ( 3.807 0.000 1.730) 4.182 2.689 ( 1.944 0.000 0.442) 1.994 3.068 ( -1.154 0.000 1.193) 1.660 3.113 ( -1.942 0.000 -3.456) 3.964 3.115 ( -3.570 0.000 -1.519) 3.880 3.271 ( -7.355 0.000 -2.448) 7.752 3.777 ( -4.117 0.000 6.021) 7.294 3.910 ( -2.200 0.000 -4.358) 4.881 4.147 ( -0.378 0.000 0.814) 0.897 4.184 ( -0.512 0.000 6.288) 6.309 4.342 ( 1.572 0.000 5.479) 5.701 4.537 ( 1.089 0.000 4.460) 4.591 4.563 ( 4.377 0.000 -11.540) 12.342 4.732 ( 1.464 0.000 -9.161) 9.277 5.290 ( 6.729 0.000 -14.615) 16.090 5.359 ( 4.319 0.000 -0.745) 4.383 5.442 ( -14.466 0.000 13.778) 19.978 5.600 ( -0.366 0.000 1.471) 1.516 6.135 ( -6.737 0.000 11.250) 13.113 6.184 ( 2.317 0.000 -4.134) 4.739 6.815 ( 0.807 0.000 1.404) 1.619 6.826 ( -2.645 0.000 0.448) 2.682 7.041 ( -0.343 0.000 -3.234) 3.252 7.094 ( -0.998 0.000 -1.088) 1.477 7.380 ( -0.390 0.000 1.619) 1.665 7.510 ( -6.017 0.000 -6.159) 8.610 7.801 ( -1.807 0.000 -1.623) 2.429 8.585 ( -8.793 0.000 -5.201) 10.216 8.807 ( 6.040 0.000 7.250) 9.436 8.873 ( 0.151 0.000 8.413) 8.414 9.072 ( -1.764 0.000 -6.573) 6.806 9.437 ( -7.117 0.000 6.739) 9.801 9.549 ( 3.745 0.000 2.434) 4.467 9.922 ( 0.180 0.000 2.008) 2.016 10.083 ( -0.221 0.000 16.802) 16.804 10.459 ( 1.306 0.000 -9.236) 9.328 10.487 ( 8.484 0.000 -1.083) 8.553 10.687 ( 2.613 0.000 6.465) 6.973 10.875 ( -3.238 0.000 -0.512) 3.279 10.947 ( 7.459 0.000 -17.128) 18.682 11.226 ( 1.586 0.000 6.248) 6.447 11.652 ( 0.057 0.000 -1.879) 1.880 11.666 ( -0.147 0.000 2.278) 2.283 11.941 ( -1.361 0.000 1.536) 2.052 12.139 ( -4.888 0.000 -11.202) 12.222 12.319 ( 1.893 0.000 -2.071) 2.806 15.147 ( -0.911 0.000 1.146) 1.464 15.807 ( 0.468 0.000 -3.283) 3.316 16.200 ( -3.461 0.000 -3.514) 4.932 16.680 ( -5.485 0.000 3.592) 6.556 17.255 ( 6.078 0.000 -3.654) 7.092 17.426 ( -5.324 0.000 -3.809) 6.546 17.723 ( 7.671 0.000 6.924) 10.333 19.202 ( 0.046 0.000 0.125) 0.133 19.292 ( 1.744 0.000 12.257) 12.380 19.354 ( -3.699 0.000 -1.542) 4.007 19.682 ( -0.568 0.000 0.575) 0.808 19.737 ( -4.919 0.000 12.415) 13.354 20.653 ( 1.356 0.000 -1.620) 2.113 21.056 ( -1.667 0.000 0.128) 1.672 23.278 ( 2.585 0.000 -4.634) 5.307 23.303 ( -2.395 0.000 5.639) 6.126 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 6.465 0.000 -2.020) 6.773 0.973 ( 6.100 0.000 3.599) 7.083 1.370 ( -1.218 0.000 5.001) 5.147 1.497 ( -2.224 0.000 -1.132) 2.496 1.572 ( 8.486 0.000 4.337) 9.530 2.000 ( 0.278 0.000 -1.471) 1.497 2.108 ( -0.820 0.000 0.302) 0.874 2.399 ( 2.542 0.000 0.804) 2.666 2.455 ( -0.111 0.000 -1.215) 1.220 2.564 ( 1.331 0.000 -1.391) 1.926 2.720 ( 0.757 0.000 0.456) 0.884 2.762 ( 2.978 0.000 1.359) 3.274 3.029 ( -1.577 0.000 -1.310) 2.050 3.039 ( -2.533 0.000 -0.887) 2.684 3.079 ( -0.225 0.000 -0.168) 0.281 3.131 ( -4.352 0.000 -1.078) 4.483 3.782 ( -2.301 0.000 8.026) 8.349 3.837 ( 0.089 0.000 -7.037) 7.038 4.144 ( -0.494 0.000 0.580) 0.762 4.218 ( -0.530 0.000 2.873) 2.921 4.387 ( -0.518 0.000 2.334) 2.391 4.581 ( 4.494 0.000 -4.916) 6.661 4.594 ( -0.124 0.000 5.670) 5.671 4.671 ( 0.906 0.000 -7.901) 7.953 5.275 ( 7.976 0.000 -20.240) 21.755 5.329 ( -12.172 0.000 19.901) 23.329 5.419 ( 2.181 0.000 -0.645) 2.274 5.603 ( -0.452 0.000 0.963) 1.064 6.072 ( -3.195 0.000 1.364) 3.474 6.226 ( 1.494 0.000 0.404) 1.548 6.798 ( -0.720 0.000 0.288) 0.775 6.840 ( 0.566 0.000 0.727) 0.921 7.007 ( -0.617 0.000 -1.388) 1.518 7.071 ( -0.521 0.000 -0.453) 0.690 7.381 ( -0.380 0.000 0.448) 0.587 7.398 ( -1.775 0.000 -2.448) 3.024 7.778 ( -0.168 0.000 0.012) 0.169 8.420 ( -3.874 0.000 -2.715) 4.731 8.926 ( 2.041 0.000 2.022) 2.873 8.941 ( -1.486 0.000 8.952) 9.074 8.996 ( 0.818 0.000 -7.925) 7.967 9.397 ( -2.130 0.000 2.739) 3.470 9.617 ( 1.524 0.000 0.926) 1.783 9.932 ( 0.069 0.000 0.151) 0.166 10.215 ( -0.601 0.000 12.195) 12.209 10.388 ( 0.954 0.000 -9.568) 9.615 10.615 ( 5.621 0.000 -1.434) 5.801 10.787 ( 1.724 0.000 4.240) 4.578 10.806 ( -3.749 0.000 0.891) 3.854 10.931 ( 2.350 0.000 -6.476) 6.889 11.287 ( 0.498 0.000 2.427) 2.478 11.644 ( 0.221 0.000 -0.767) 0.799 11.696 ( 0.660 0.000 2.453) 2.540 11.928 ( -0.699 0.000 0.403) 0.807 11.964 ( -3.635 0.000 -6.020) 7.033 12.334 ( 0.913 0.000 -0.750) 1.181 15.143 ( -0.342 0.000 0.527) 0.628 15.789 ( -0.015 0.000 -1.223) 1.223 16.137 ( -0.894 0.000 -1.414) 1.673 16.624 ( -2.416 0.000 1.379) 2.782 17.314 ( 2.179 0.000 -1.011) 2.402 17.330 ( -2.009 0.000 -1.479) 2.495 17.882 ( 3.596 0.000 2.645) 4.464 19.209 ( 0.252 0.000 0.631) 0.680 19.280 ( -2.144 0.000 -1.350) 2.533 19.395 ( 0.585 0.000 4.699) 4.736 19.679 ( 0.073 0.000 -0.370) 0.377 19.755 ( -1.114 0.000 3.581) 3.751 20.663 ( 0.733 0.000 -0.769) 1.063 21.031 ( -0.848 0.000 0.052) 0.850 23.283 ( 1.289 0.000 -2.273) 2.613 23.307 ( -1.210 0.000 2.718) 2.975 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 0.000 19.975 0.000) 19.975 0.494 ( 0.000 22.917 0.000) 22.917 0.596 ( 0.000 27.607 0.000) 27.607 1.480 ( 0.000 6.491 0.000) 6.491 1.796 ( 0.000 1.614 0.000) 1.614 2.049 ( 0.000 2.873 0.000) 2.873 2.153 ( 0.000 3.918 0.000) 3.918 2.267 ( 0.000 -0.708 0.000) 0.708 2.402 ( 0.000 4.781 0.000) 4.781 2.587 ( 0.000 0.821 0.000) 0.821 2.631 ( 0.000 0.101 0.000) 0.101 2.653 ( 0.000 -7.844 0.000) 7.844 2.983 ( 0.000 -6.440 0.000) 6.440 3.215 ( 0.000 1.022 0.000) 1.022 3.221 ( 0.000 0.285 0.000) 0.285 3.300 ( 0.000 -10.731 0.000) 10.731 3.978 ( 0.000 -2.106 0.000) 2.106 4.155 ( 0.000 -0.696 0.000) 0.696 4.214 ( 0.000 8.013 0.000) 8.013 4.307 ( 0.000 6.007 0.000) 6.007 4.431 ( 0.000 2.023 0.000) 2.023 4.613 ( 0.000 0.851 0.000) 0.851 4.718 ( 0.000 5.809 0.000) 5.809 4.774 ( 0.000 -0.258 0.000) 0.258 5.018 ( 0.000 -1.297 0.000) 1.297 5.271 ( 0.000 0.023 0.000) 0.023 5.571 ( 0.000 -1.916 0.000) 1.916 5.612 ( 0.000 -2.014 0.000) 2.014 6.071 ( 0.000 2.556 0.000) 2.556 6.210 ( 0.000 1.393 0.000) 1.393 6.732 ( 0.000 -4.385 0.000) 4.385 6.907 ( 0.000 -0.177 0.000) 0.177 6.915 ( 0.000 -7.395 0.000) 7.395 7.065 ( 0.000 -5.410 0.000) 5.410 7.504 ( 0.000 2.289 0.000) 2.289 7.885 ( 0.000 -1.568 0.000) 1.568 7.986 ( 0.000 9.660 0.000) 9.660 8.501 ( 0.000 6.620 0.000) 6.620 8.792 ( 0.000 0.542 0.000) 0.542 8.939 ( 0.000 -0.927 0.000) 0.927 9.167 ( 0.000 5.856 0.000) 5.856 9.461 ( 0.000 2.211 0.000) 2.211 9.681 ( 0.000 -0.499 0.000) 0.499 9.849 ( 0.000 -3.814 0.000) 3.814 10.097 ( 0.000 7.895 0.000) 7.895 10.302 ( 0.000 -1.371 0.000) 1.371 10.462 ( 0.000 -1.528 0.000) 1.528 10.507 ( 0.000 1.061 0.000) 1.061 10.837 ( 0.000 -0.343 0.000) 0.343 11.000 ( 0.000 -3.159 0.000) 3.159 11.618 ( 0.000 -3.008 0.000) 3.008 11.667 ( 0.000 -2.376 0.000) 2.376 11.720 ( 0.000 1.258 0.000) 1.258 12.061 ( 0.000 -10.302 0.000) 10.302 12.516 ( 0.000 10.398 0.000) 10.398 13.070 ( 0.000 -0.177 0.000) 0.177 15.188 ( 0.000 2.576 0.000) 2.576 15.731 ( 0.000 -7.349 0.000) 7.349 16.534 ( 0.000 9.372 0.000) 9.372 17.104 ( 0.000 -2.748 0.000) 2.748 17.161 ( 0.000 -2.943 0.000) 2.943 17.504 ( 0.000 -10.747 0.000) 10.747 17.856 ( 0.000 5.825 0.000) 5.825 18.182 ( 0.000 6.677 0.000) 6.677 19.204 ( 0.000 0.203 0.000) 0.203 19.435 ( 0.000 -1.866 0.000) 1.866 19.640 ( 0.000 0.008 0.000) 0.008 19.691 ( 0.000 -0.591 0.000) 0.591 20.417 ( 0.000 0.652 0.000) 0.652 20.624 ( 0.000 -1.592 0.000) 1.592 23.286 ( 0.000 -0.502 0.000) 0.502 23.288 ( 0.000 -0.636 0.000) 0.636 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 12.556 18.702 -13.409) 26.215 0.637 ( 6.960 15.075 16.336) 23.293 0.808 ( 15.726 19.177 9.294) 26.484 1.473 ( -1.483 5.142 2.093) 5.746 1.734 ( -1.926 6.863 -6.145) 9.412 2.064 ( 0.272 0.561 -0.564) 0.840 2.120 ( -1.090 3.892 -0.209) 4.047 2.310 ( 3.081 -0.304 0.389) 3.120 2.420 ( 0.058 4.564 1.831) 4.918 2.506 ( -1.672 0.033 -2.459) 2.974 2.608 ( -1.648 -1.853 -0.627) 2.558 2.663 ( 1.546 -1.100 -0.389) 1.937 2.994 ( 0.176 -6.158 1.379) 6.313 3.186 ( -2.593 -0.592 -1.255) 2.940 3.207 ( -1.292 2.221 -0.455) 2.610 3.275 ( -2.350 -9.252 -0.586) 9.564 3.924 ( -5.946 -0.478 0.964) 6.043 4.097 ( -2.736 2.788 -9.269) 10.058 4.209 ( -0.759 5.936 0.245) 5.990 4.297 ( -10.969 12.174 4.871) 17.096 4.309 ( 0.468 4.747 -1.151) 4.906 4.511 ( 2.311 4.274 1.399) 5.056 4.663 ( 0.919 5.024 -8.051) 9.534 4.773 ( 1.938 0.403 -5.074) 5.446 5.164 ( 2.812 -8.255 5.089) 10.097 5.293 ( 3.079 -0.203 -1.901) 3.624 5.513 ( -3.732 -2.047 -1.347) 4.464 5.620 ( -1.877 -0.950 2.781) 3.487 6.099 ( 0.289 1.815 5.047) 5.371 6.216 ( -1.843 0.089 2.684) 3.257 6.734 ( -0.006 -4.692 0.418) 4.711 6.856 ( -2.988 -2.672 1.334) 4.224 6.972 ( 2.676 -5.082 -0.857) 5.807 7.052 ( 0.493 -5.995 -4.089) 7.274 7.445 ( -3.142 3.872 -1.050) 5.096 7.853 ( -1.927 1.359 -4.039) 4.677 7.878 ( -9.403 9.679 1.418) 13.569 8.631 ( 7.413 3.977 7.405) 11.207 8.818 ( 1.029 1.430 4.240) 4.592 8.869 ( -5.724 2.810 -2.474) 6.839 9.251 ( 4.091 3.962 3.386) 6.625 9.332 ( -7.921 1.929 -5.536) 9.855 9.702 ( -2.754 2.063 2.226) 4.099 9.837 ( -0.329 -2.670 5.438) 6.067 10.078 ( -3.504 8.692 8.113) 12.396 10.352 ( 4.449 -0.592 1.761) 4.821 10.450 ( 2.703 -2.272 -6.121) 7.067 10.584 ( 2.362 -0.313 5.527) 6.019 10.855 ( 3.816 -1.070 -4.745) 6.182 10.988 ( -1.851 -3.481 0.420) 3.965 11.529 ( -10.232 8.969 -6.773) 15.199 11.605 ( -2.935 -2.474 0.257) 3.848 11.702 ( 1.449 1.464 -1.034) 2.305 12.018 ( -3.778 -5.573 -0.511) 6.752 12.354 ( -11.216 18.531 -17.426) 27.800 12.522 ( -5.535 11.348 -14.558) 19.270 15.184 ( -0.867 2.656 1.137) 3.016 15.727 ( 1.490 -7.176 -4.180) 8.437 16.459 ( -5.280 10.241 -2.833) 11.865 16.841 ( -11.031 4.520 1.919) 12.074 17.256 ( 9.152 3.478 -12.070) 15.542 17.448 ( -0.603 -7.194 -0.292) 7.225 17.600 ( -2.187 7.223 2.452) 7.935 18.857 ( 10.471 -17.066 21.023) 29.032 19.232 ( -1.075 0.569 7.419) 7.518 19.410 ( -2.408 -1.551 -0.335) 2.884 19.681 ( -4.729 -0.659 11.761) 12.693 19.698 ( -2.990 -0.898 9.389) 9.894 20.626 ( 1.473 -1.887 -1.053) 2.615 20.733 ( 16.898 -14.412 1.769) 22.280 23.276 ( 1.516 -0.192 -3.850) 4.142 23.293 ( -1.886 -0.389 4.493) 4.888 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 15.134 12.788 -9.562) 22.000 0.901 ( 6.860 11.830 13.565) 19.262 1.218 ( 14.980 9.097 8.317) 19.399 1.480 ( 0.258 3.926 2.524) 4.675 1.659 ( -1.647 8.576 -1.450) 8.852 2.041 ( 1.131 1.240 -4.686) 4.977 2.125 ( -1.836 1.141 5.015) 5.461 2.351 ( 2.270 1.251 -4.056) 4.813 2.440 ( 1.506 0.607 1.202) 2.020 2.525 ( 1.612 -0.879 0.232) 1.851 2.620 ( 3.009 -2.179 1.543) 4.023 2.685 ( 1.910 -2.944 -0.900) 3.623 3.009 ( 0.077 -4.934 1.053) 5.046 3.109 ( -2.943 -0.826 -2.801) 4.146 3.155 ( -4.282 2.728 0.279) 5.085 3.199 ( -4.462 -5.348 -1.704) 7.171 3.824 ( -5.672 1.211 3.725) 6.893 3.951 ( -2.603 4.016 -8.518) 9.771 4.183 ( -2.212 3.086 1.452) 4.065 4.245 ( -2.775 4.633 5.444) 7.669 4.345 ( 0.597 1.361 4.823) 5.046 4.588 ( 3.093 4.430 1.994) 5.759 4.599 ( 1.797 2.997 -10.675) 11.232 4.747 ( 1.960 1.648 -8.052) 8.449 5.222 ( 0.991 -6.090 1.854) 6.442 5.332 ( 2.419 -2.101 -4.312) 5.372 5.428 ( -4.719 0.050 3.237) 5.723 5.603 ( -1.779 -0.734 1.729) 2.587 6.140 ( -4.331 0.892 8.560) 9.635 6.199 ( 2.547 1.522 -3.988) 4.971 6.737 ( -0.115 -4.881 0.650) 4.926 6.830 ( -1.119 -1.482 1.627) 2.469 6.992 ( 0.614 -4.050 -1.267) 4.288 7.007 ( -0.907 -6.591 -4.434) 7.996 7.405 ( -1.599 2.359 1.536) 3.237 7.702 ( -6.685 15.633 -2.140) 17.137 7.793 ( -1.996 -1.196 -2.331) 3.294 8.706 ( -6.545 8.523 -5.004) 11.854 8.829 ( 4.901 1.447 7.091) 8.741 8.894 ( 0.878 1.795 7.270) 7.540 9.124 ( -5.171 3.724 -6.896) 9.390 9.354 ( 1.097 -0.468 4.102) 4.272 9.649 ( -2.916 3.348 2.245) 4.975 9.906 ( 1.211 -1.473 3.286) 3.799 10.141 ( -0.635 4.964 12.623) 13.579 10.423 ( 1.918 -2.752 -7.333) 8.063 10.481 ( 7.130 -0.915 -1.326) 7.310 10.680 ( 2.547 -0.555 5.779) 6.340 10.861 ( -1.535 -1.184 -0.982) 2.173 10.938 ( 0.871 -2.900 -7.100) 7.718 11.344 ( -3.666 8.557 -1.353) 9.407 11.576 ( -0.851 -3.505 0.123) 3.609 11.723 ( 1.272 1.881 0.225) 2.282 11.951 ( -2.450 -2.667 -0.906) 3.733 12.121 ( -3.974 4.185 -10.044) 11.584 12.388 ( -2.070 4.259 -5.013) 6.896 15.178 ( -0.790 2.837 1.054) 3.128 15.716 ( 0.731 -6.426 -2.517) 6.940 16.340 ( -3.706 10.780 -3.209) 11.843 16.719 ( -5.963 3.057 2.983) 7.335 17.261 ( 0.063 -2.700 -5.096) 5.767 17.454 ( 3.322 4.789 -3.561) 6.830 17.690 ( 4.903 -1.953 5.941) 7.947 19.067 ( 3.482 -11.217 3.377) 12.221 19.301 ( 0.186 0.118 8.462) 8.464 19.348 ( -3.784 -0.717 0.643) 3.905 19.684 ( -0.388 0.150 0.748) 0.856 19.731 ( -3.520 -0.476 10.337) 10.931 20.641 ( 1.480 -0.954 -1.248) 2.158 20.927 ( 3.937 -9.369 1.304) 10.246 23.275 ( 1.965 -0.271 -3.732) 4.226 23.299 ( -2.004 -0.437 4.637) 5.070 ======================= Grid point 10 (8/100) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 6.780 11.012 -3.481) 13.392 1.120 ( 4.982 11.510 6.916) 14.323 1.399 ( 1.576 2.823 2.534) 4.108 1.466 ( -2.447 1.263 -3.781) 4.677 1.732 ( 5.148 10.763 4.819) 12.867 2.030 ( 0.586 2.702 -1.593) 3.191 2.135 ( -0.781 1.976 2.621) 3.374 2.336 ( 0.219 -4.763 -2.637) 5.448 2.462 ( 0.022 -0.549 -0.354) 0.654 2.553 ( 1.662 -0.629 -0.582) 1.870 2.664 ( 0.040 -4.147 0.951) 4.255 2.757 ( 4.036 -1.322 0.616) 4.291 3.015 ( 1.152 -2.157 -1.264) 2.753 3.057 ( -0.109 -0.765 -1.509) 1.695 3.065 ( -5.100 1.089 1.687) 5.481 3.100 ( -3.608 -1.709 -1.368) 4.220 3.786 ( -2.681 -1.164 4.280) 5.183 3.861 ( 0.003 3.398 -5.264) 6.266 4.164 ( -1.052 1.618 1.153) 2.248 4.239 ( -1.354 1.219 1.773) 2.542 4.400 ( 0.127 1.885 4.244) 4.645 4.551 ( 1.829 -0.537 -6.800) 7.062 4.630 ( -0.309 2.139 1.035) 2.396 4.732 ( 2.464 4.754 -3.796) 6.564 5.247 ( 3.773 -4.860 -6.100) 8.664 5.277 ( -6.031 -1.408 5.703) 8.418 5.430 ( 0.810 0.570 0.497) 1.108 5.591 ( -0.672 -1.232 0.868) 1.650 6.109 ( -2.210 3.215 1.576) 4.208 6.231 ( 1.392 0.511 -0.188) 1.495 6.745 ( 0.199 -3.871 0.563) 3.917 6.835 ( 0.072 -1.166 0.869) 1.456 6.948 ( -0.988 -5.870 -2.520) 6.464 6.990 ( -0.067 -4.778 -0.348) 4.791 7.399 ( -0.440 1.779 0.809) 2.003 7.603 ( -2.273 16.731 -0.781) 16.903 7.753 ( -0.639 -2.272 -0.815) 2.497 8.570 ( -3.105 12.216 -2.502) 12.850 8.928 ( 0.790 -0.861 2.930) 3.154 8.967 ( -0.288 2.184 6.842) 7.188 9.017 ( -0.026 2.070 -6.677) 6.990 9.382 ( -0.358 1.168 1.633) 2.040 9.641 ( -0.228 0.699 0.982) 1.226 9.935 ( 0.297 0.077 0.644) 0.714 10.245 ( -0.872 2.525 11.327) 11.637 10.368 ( 1.145 -1.614 -9.217) 9.427 10.602 ( 5.944 -1.339 -1.241) 6.218 10.766 ( 0.098 -1.791 1.917) 2.625 10.791 ( -3.468 -2.300 3.130) 5.207 10.911 ( 1.765 -1.887 -5.332) 5.925 11.313 ( -0.677 2.692 0.823) 2.895 11.569 ( -0.195 -3.721 0.189) 3.731 11.761 ( 1.693 2.547 1.520) 3.415 11.900 ( -1.805 -3.853 -2.320) 4.846 11.979 ( -2.981 3.404 -3.408) 5.665 12.343 ( -0.053 0.295 -1.551) 1.580 15.175 ( -0.303 2.876 0.420) 2.923 15.710 ( 0.285 -5.535 -0.795) 5.599 16.272 ( -1.187 10.622 -1.386) 10.778 16.660 ( -2.295 3.107 1.225) 4.053 17.215 ( -0.829 -4.686 -1.526) 4.997 17.486 ( 1.693 10.098 -1.095) 10.297 17.812 ( 2.891 -6.403 2.091) 7.330 19.118 ( 0.874 -8.703 0.649) 8.771 19.280 ( -1.668 0.077 -1.122) 2.012 19.378 ( -0.045 -1.408 4.626) 4.836 19.683 ( 0.035 0.466 -0.078) 0.474 19.752 ( -0.904 -0.251 3.233) 3.366 20.655 ( 0.761 -0.518 -0.575) 1.085 20.966 ( 0.414 -5.406 0.367) 5.435 23.279 ( 1.014 -0.383 -1.804) 2.104 23.302 ( -0.998 -0.508 2.212) 2.479 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 19.433 0.000) 19.433 0.957 ( 0.000 20.551 0.000) 20.551 1.143 ( 0.000 23.112 0.000) 23.112 1.590 ( 0.000 2.830 0.000) 2.830 1.833 ( 0.000 0.360 0.000) 0.360 2.097 ( 0.000 0.486 0.000) 0.486 2.235 ( 0.000 2.979 0.000) 2.979 2.263 ( 0.000 -0.003 0.000) 0.003 2.479 ( 0.000 1.791 0.000) 1.791 2.486 ( 0.000 -5.502 0.000) 5.502 2.631 ( 0.000 2.979 0.000) 2.979 2.634 ( 0.000 -0.641 0.000) 0.641 2.833 ( 0.000 -6.477 0.000) 6.477 3.012 ( 0.000 -11.303 0.000) 11.303 3.218 ( 0.000 -0.360 0.000) 0.360 3.276 ( 0.000 0.820 0.000) 0.820 3.947 ( 0.000 -0.718 0.000) 0.718 4.092 ( 0.000 -4.665 0.000) 4.665 4.392 ( 0.000 8.191 0.000) 8.191 4.437 ( 0.000 5.618 0.000) 5.618 4.527 ( 0.000 6.275 0.000) 6.275 4.655 ( 0.000 3.150 0.000) 3.150 4.764 ( 0.000 -0.871 0.000) 0.871 4.861 ( 0.000 7.338 0.000) 7.338 4.975 ( 0.000 -2.827 0.000) 2.827 5.266 ( 0.000 -0.959 0.000) 0.959 5.503 ( 0.000 -4.218 0.000) 4.218 5.554 ( 0.000 -3.295 0.000) 3.295 6.145 ( 0.000 4.322 0.000) 4.322 6.248 ( 0.000 2.084 0.000) 2.084 6.630 ( 0.000 -4.801 0.000) 4.801 6.734 ( 0.000 -8.816 0.000) 8.816 6.887 ( 0.000 -1.553 0.000) 1.553 6.944 ( 0.000 -5.287 0.000) 5.287 7.571 ( 0.000 3.896 0.000) 3.896 7.834 ( 0.000 -3.150 0.000) 3.150 8.230 ( 0.000 12.548 0.000) 12.548 8.635 ( 0.000 4.408 0.000) 4.408 8.811 ( 0.000 1.271 0.000) 1.271 8.914 ( 0.000 -1.399 0.000) 1.399 9.323 ( 0.000 8.149 0.000) 8.149 9.524 ( 0.000 3.635 0.000) 3.635 9.670 ( 0.000 -0.532 0.000) 0.532 9.770 ( 0.000 -4.144 0.000) 4.144 10.282 ( 0.000 -0.077 0.000) 0.077 10.284 ( 0.000 9.760 0.000) 9.760 10.416 ( 0.000 -2.654 0.000) 2.654 10.558 ( 0.000 4.055 0.000) 4.055 10.825 ( 0.000 -0.956 0.000) 0.956 10.907 ( 0.000 -5.616 0.000) 5.616 11.538 ( 0.000 -4.371 0.000) 4.371 11.577 ( 0.000 -6.150 0.000) 6.150 11.744 ( 0.000 1.020 0.000) 1.020 11.879 ( 0.000 -6.249 0.000) 6.249 12.723 ( 0.000 9.038 0.000) 9.038 13.056 ( 0.000 -1.418 0.000) 1.418 15.262 ( 0.000 4.158 0.000) 4.158 15.578 ( 0.000 -6.613 0.000) 6.613 16.731 ( 0.000 8.196 0.000) 8.196 17.051 ( 0.000 -1.548 0.000) 1.548 17.073 ( 0.000 -5.203 0.000) 5.203 17.285 ( 0.000 -8.918 0.000) 8.918 18.009 ( 0.000 8.004 0.000) 8.004 18.286 ( 0.000 2.528 0.000) 2.528 19.217 ( 0.000 1.126 0.000) 1.126 19.383 ( 0.000 -2.937 0.000) 2.937 19.641 ( 0.000 0.098 0.000) 0.098 19.674 ( 0.000 -0.898 0.000) 0.898 20.437 ( 0.000 1.330 0.000) 1.330 20.579 ( 0.000 -2.557 0.000) 2.557 23.272 ( 0.000 -0.733 0.000) 0.733 23.273 ( 0.000 -0.654 0.000) 0.654 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 6.846 18.563 -9.342) 21.880 0.978 ( 6.210 17.422 5.989) 19.441 1.248 ( 8.222 20.009 4.427) 22.080 1.577 ( -1.462 3.500 0.829) 3.883 1.837 ( 0.750 1.462 -1.409) 2.165 2.059 ( -2.415 -0.785 -1.725) 3.070 2.211 ( -1.588 3.829 0.354) 4.160 2.304 ( 2.431 -0.647 1.525) 2.942 2.478 ( 0.951 -0.880 -0.117) 1.301 2.508 ( 2.701 -2.081 -1.500) 3.726 2.573 ( -3.166 4.239 -3.833) 6.534 2.629 ( -1.043 -1.698 0.141) 1.998 2.849 ( 0.488 -6.946 2.360) 7.352 3.027 ( 0.689 -9.430 0.549) 9.471 3.196 ( -1.775 -0.524 -1.343) 2.287 3.254 ( -2.585 0.687 1.108) 2.895 3.912 ( -2.687 -0.051 -1.642) 3.150 4.065 ( -2.002 -3.935 -2.144) 4.908 4.337 ( -2.973 5.995 -1.942) 6.968 4.414 ( -3.549 5.372 2.425) 6.880 4.493 ( -5.127 6.236 -2.449) 8.436 4.641 ( 1.289 6.635 2.212) 7.111 4.747 ( 0.352 0.894 -6.558) 6.628 4.824 ( 2.831 5.460 -9.011) 10.910 5.032 ( -2.111 -4.240 12.026) 12.925 5.277 ( 3.137 -1.767 -4.627) 5.863 5.466 ( -2.487 -2.325 -0.409) 3.430 5.566 ( -0.097 -3.626 0.949) 3.749 6.158 ( -0.557 3.586 3.606) 5.116 6.244 ( 0.448 2.010 -1.680) 2.657 6.629 ( -0.168 -4.756 0.366) 4.773 6.738 ( -0.156 -7.327 1.478) 7.477 6.896 ( 0.812 -2.601 -0.537) 2.778 6.926 ( -0.172 -5.119 -3.149) 6.013 7.529 ( -2.739 4.304 -1.626) 5.355 7.807 ( -1.963 -3.294 -1.769) 4.223 8.178 ( -5.056 15.142 0.808) 15.985 8.696 ( 3.694 0.848 3.200) 4.960 8.849 ( 1.648 1.860 4.417) 5.068 8.920 ( -0.300 2.105 1.333) 2.509 9.325 ( -1.816 4.883 0.607) 5.245 9.466 ( -2.328 7.495 -3.198) 8.475 9.699 ( -1.504 -1.961 2.241) 3.336 9.769 ( 1.224 -3.509 3.272) 4.952 10.268 ( -3.364 9.210 4.781) 10.909 10.323 ( 3.811 -1.156 -0.144) 3.985 10.413 ( 2.546 -1.455 -5.063) 5.851 10.602 ( 2.034 2.369 3.486) 4.680 10.836 ( 1.956 -1.235 -2.129) 3.143 10.885 ( -2.840 -6.053 0.664) 6.719 11.517 ( -2.047 -3.709 0.330) 4.249 11.541 ( -4.225 -5.126 1.277) 6.764 11.747 ( 0.942 1.885 -1.044) 2.351 11.874 ( -0.226 -5.492 -0.730) 5.545 12.625 ( -7.443 8.211 -6.969) 13.091 12.743 ( -15.380 6.926 -18.623) 25.126 15.261 ( -0.531 4.345 0.983) 4.487 15.579 ( 0.980 -6.352 -1.722) 6.654 16.677 ( -3.864 9.430 -2.157) 10.417 16.886 ( -9.428 0.614 3.640) 10.125 17.195 ( 3.941 -6.561 -5.636) 9.505 17.300 ( 5.809 -6.010 -0.936) 8.410 17.858 ( -2.923 13.985 -6.366) 15.641 18.567 ( 10.829 -10.793 10.869) 18.759 19.242 ( -1.468 0.688 8.055) 8.216 19.366 ( -1.993 -2.453 0.601) 3.217 19.671 ( -1.873 -0.216 7.931) 8.152 19.683 ( -0.167 -0.581 2.851) 2.915 20.558 ( 8.782 -2.655 0.478) 9.187 20.600 ( 3.257 -2.410 0.390) 4.071 23.268 ( 1.037 -0.484 -2.428) 2.684 23.279 ( -1.164 -0.811 3.080) 3.391 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 13.028 16.278 -12.570) 24.345 1.162 ( 2.639 12.960 13.832) 19.138 1.473 ( 9.506 12.733 -1.008) 15.922 1.573 ( 1.436 3.923 0.210) 4.183 1.843 ( 2.444 6.311 -0.906) 6.828 2.017 ( -1.463 -2.510 2.809) 4.041 2.184 ( -1.893 3.892 1.006) 4.443 2.359 ( 0.759 -1.393 -0.198) 1.598 2.433 ( -3.433 -2.357 -3.286) 5.304 2.530 ( 2.320 0.827 -1.969) 3.153 2.583 ( -0.037 -2.680 -0.899) 2.827 2.609 ( 4.180 1.007 2.024) 4.752 2.885 ( 1.500 -6.180 1.086) 6.451 3.032 ( -1.230 -6.207 1.585) 6.524 3.131 ( -3.497 -0.480 -1.080) 3.691 3.206 ( -2.908 1.144 -0.703) 3.203 3.834 ( -3.859 0.684 -0.730) 3.987 3.980 ( -3.254 -1.601 -4.480) 5.763 4.265 ( -2.355 4.079 -2.679) 5.418 4.329 ( -6.965 2.890 3.109) 8.157 4.433 ( -0.325 6.144 1.982) 6.464 4.656 ( 0.592 1.591 -10.154) 10.295 4.695 ( -0.325 5.115 1.473) 5.333 4.817 ( 3.887 4.819 -6.661) 9.094 5.093 ( -2.944 -4.818 11.759) 13.044 5.280 ( 3.016 -3.090 -8.385) 9.432 5.433 ( -1.096 0.178 1.361) 1.756 5.560 ( -1.301 -3.040 1.053) 3.470 6.178 ( -1.773 2.576 5.006) 5.903 6.242 ( 1.709 2.163 -2.781) 3.916 6.638 ( 0.764 -3.967 0.786) 4.116 6.757 ( 0.231 -5.066 2.545) 5.674 6.871 ( -1.284 -5.083 -3.481) 6.293 6.907 ( 0.633 -3.832 -2.517) 4.628 7.471 ( -2.052 3.800 -0.234) 4.325 7.740 ( -2.725 -3.480 -2.235) 4.953 8.089 ( -4.573 19.242 0.636) 19.788 8.780 ( 2.355 -2.737 1.159) 3.792 8.914 ( -1.899 6.850 4.628) 8.482 8.945 ( 1.961 3.136 4.983) 6.206 9.208 ( -5.994 4.717 -5.309) 9.293 9.461 ( 1.834 8.326 0.173) 8.527 9.647 ( -4.226 -3.403 2.035) 5.795 9.861 ( 2.635 -2.760 4.377) 5.807 10.266 ( -2.528 6.274 7.354) 9.992 10.371 ( 2.123 -1.634 -4.272) 5.043 10.449 ( 5.761 -1.646 -2.589) 6.527 10.676 ( 2.124 0.566 3.871) 4.451 10.801 ( -5.843 -5.449 0.526) 8.007 10.857 ( 2.417 -3.047 -3.897) 5.506 11.439 ( -5.464 -0.207 1.059) 5.569 11.507 ( -0.667 -3.292 0.293) 3.371 11.761 ( 1.597 1.920 -1.097) 2.727 11.857 ( -0.880 -3.748 -0.627) 3.900 12.291 ( -10.410 8.496 -13.219) 18.849 12.458 ( -6.418 2.080 -7.870) 10.366 15.260 ( -0.423 4.647 0.730) 4.723 15.585 ( 0.989 -5.717 -1.042) 5.894 16.582 ( -3.634 11.072 -1.875) 11.803 16.782 ( -5.159 2.516 2.859) 6.412 17.163 ( -0.507 -4.409 -3.455) 5.624 17.457 ( 9.055 -6.514 -0.013) 11.154 17.800 ( 0.006 12.790 -3.146) 13.171 18.776 ( 5.733 -15.389 2.221) 16.572 19.296 ( -0.998 -0.402 7.616) 7.692 19.325 ( -3.288 -1.270 2.157) 4.132 19.690 ( -0.184 0.431 1.656) 1.721 19.720 ( -1.652 -0.464 7.225) 7.426 20.623 ( 2.138 -0.552 -0.292) 2.227 20.755 ( 6.486 -6.204 1.824) 9.159 23.267 ( 1.130 -0.398 -2.151) 2.462 23.284 ( -1.228 -0.845 2.950) 3.305 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 5.879 14.010 -4.318) 15.795 1.353 ( 5.209 9.682 11.913) 16.211 1.523 ( -0.074 5.994 0.384) 6.007 1.542 ( -2.005 7.212 -10.737) 13.089 1.966 ( 6.190 9.768 2.788) 11.895 2.069 ( 2.313 -1.161 4.986) 5.618 2.166 ( -1.180 1.389 2.089) 2.772 2.249 ( -5.031 -2.091 -6.126) 8.198 2.419 ( -0.016 -3.433 -0.337) 3.450 2.524 ( -1.429 -8.579 -0.684) 8.724 2.565 ( 0.815 2.490 0.229) 2.630 2.750 ( 5.023 1.167 1.278) 5.313 2.928 ( 3.339 -4.905 -1.269) 6.068 3.008 ( -3.912 -4.699 3.043) 6.830 3.077 ( 0.239 1.799 -1.307) 2.236 3.127 ( -4.004 2.031 -1.236) 4.656 3.774 ( -1.933 0.525 0.260) 2.020 3.902 ( -0.916 -0.473 -2.419) 2.629 4.216 ( -1.598 3.171 0.667) 3.613 4.249 ( -2.474 0.007 -0.650) 2.558 4.473 ( 0.717 4.509 4.525) 6.428 4.573 ( -0.055 2.009 -7.689) 7.947 4.688 ( -0.780 3.512 0.150) 3.601 4.839 ( 2.140 4.594 -2.206) 5.527 5.133 ( -1.740 -4.520 6.299) 7.946 5.247 ( 0.925 -2.067 -5.090) 5.571 5.437 ( 0.048 0.208 0.515) 0.557 5.549 ( -0.534 -2.707 0.550) 2.813 6.185 ( -0.808 3.487 2.124) 4.163 6.250 ( 0.753 1.151 -1.176) 1.810 6.669 ( 1.100 -2.651 1.051) 3.057 6.788 ( 0.471 -3.137 2.020) 3.760 6.815 ( -1.090 -5.272 -2.532) 5.949 6.887 ( -0.253 -5.075 -1.788) 5.387 7.450 ( -0.532 2.886 0.322) 2.953 7.684 ( -1.275 -3.933 -0.987) 4.251 8.029 ( -1.981 21.703 0.213) 21.794 8.820 ( 3.454 3.574 -2.351) 5.498 8.884 ( -5.215 3.593 4.126) 7.559 9.023 ( 0.692 3.297 4.989) 6.019 9.087 ( -1.161 3.995 -5.170) 6.636 9.489 ( 0.631 7.999 0.238) 8.027 9.605 ( -1.607 -4.516 1.033) 4.903 9.920 ( 0.762 -1.868 1.487) 2.506 10.300 ( -1.718 1.634 7.826) 8.177 10.346 ( 1.224 0.764 -6.575) 6.731 10.554 ( 6.771 -3.199 -1.240) 7.590 10.682 ( -6.499 -5.707 0.131) 8.650 10.745 ( 1.114 -1.125 3.054) 3.440 10.858 ( 0.970 -2.972 -2.809) 4.203 11.373 ( -2.021 1.922 0.497) 2.833 11.502 ( -0.188 -2.900 0.137) 2.909 11.791 ( 2.380 0.903 -0.365) 2.571 11.831 ( -1.670 -1.622 -0.053) 2.329 12.071 ( -4.327 4.574 -4.531) 7.758 12.326 ( -1.915 -2.170 -3.166) 4.289 15.258 ( -0.175 4.814 0.209) 4.822 15.594 ( 0.483 -5.325 -0.246) 5.352 16.522 ( -1.337 12.018 -0.694) 12.112 16.736 ( -1.760 3.581 1.103) 4.140 17.135 ( -0.103 -2.137 -1.220) 2.463 17.601 ( 4.727 -9.636 1.368) 10.820 17.770 ( -0.717 13.048 -2.231) 13.256 18.852 ( 1.763 -15.876 0.073) 15.974 19.282 ( -1.292 0.116 -0.077) 1.300 19.343 ( -0.701 -1.772 4.059) 4.484 19.698 ( -0.043 0.881 0.571) 1.051 19.745 ( -0.534 -0.425 2.527) 2.618 20.652 ( 0.956 0.396 -0.117) 1.042 20.841 ( 1.719 -5.763 0.693) 6.054 23.269 ( 0.570 -0.427 -1.004) 1.232 23.287 ( -0.602 -0.855 1.355) 1.712 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 16.317 0.000) 16.317 1.346 ( 0.000 15.835 0.000) 15.835 1.444 ( 0.000 -0.136 0.000) 0.136 1.593 ( 0.000 -4.818 0.000) 4.818 1.817 ( 0.000 5.087 0.000) 5.087 2.021 ( 0.000 -8.233 0.000) 8.233 2.264 ( 0.000 0.304 0.000) 0.304 2.268 ( 0.000 0.421 0.000) 0.421 2.463 ( 0.000 1.939 0.000) 1.939 2.491 ( 0.000 -0.219 0.000) 0.219 2.597 ( 0.000 -1.801 0.000) 1.801 2.621 ( 0.000 -3.555 0.000) 3.555 2.796 ( 0.000 2.436 0.000) 2.436 2.856 ( 0.000 -3.726 0.000) 3.726 3.223 ( 0.000 1.212 0.000) 1.212 3.263 ( 0.000 -1.836 0.000) 1.836 3.950 ( 0.000 1.084 0.000) 1.084 3.998 ( 0.000 -3.579 0.000) 3.579 4.518 ( 0.000 3.035 0.000) 3.035 4.523 ( 0.000 2.197 0.000) 2.197 4.654 ( 0.000 4.930 0.000) 4.930 4.730 ( 0.000 -2.443 0.000) 2.443 4.761 ( 0.000 6.804 0.000) 6.804 4.894 ( 0.000 -5.074 0.000) 5.074 5.021 ( 0.000 7.975 0.000) 7.975 5.190 ( 0.000 -6.837 0.000) 6.837 5.444 ( 0.000 -0.195 0.000) 0.195 5.483 ( 0.000 -3.117 0.000) 3.117 6.241 ( 0.000 4.122 0.000) 4.122 6.283 ( 0.000 0.482 0.000) 0.482 6.549 ( 0.000 -2.201 0.000) 2.201 6.577 ( 0.000 -5.139 0.000) 5.139 6.857 ( 0.000 -0.907 0.000) 0.907 6.864 ( 0.000 -1.970 0.000) 1.970 7.661 ( 0.000 4.516 0.000) 4.516 7.755 ( 0.000 -4.217 0.000) 4.217 8.481 ( 0.000 10.453 0.000) 10.453 8.641 ( 0.000 -4.037 0.000) 4.037 8.844 ( 0.000 1.751 0.000) 1.751 8.881 ( 0.000 -1.704 0.000) 1.704 9.493 ( 0.000 7.802 0.000) 7.802 9.604 ( 0.000 3.602 0.000) 3.602 9.637 ( 0.000 -4.385 0.000) 4.385 9.672 ( 0.000 -3.771 0.000) 3.771 10.301 ( 0.000 1.926 0.000) 1.926 10.355 ( 0.000 -2.946 0.000) 2.946 10.516 ( 0.000 11.762 0.000) 11.762 10.673 ( 0.000 6.233 0.000) 6.233 10.743 ( 0.000 -8.706 0.000) 8.706 10.790 ( 0.000 -4.376 0.000) 4.376 11.453 ( 0.000 -2.906 0.000) 2.906 11.454 ( 0.000 -3.660 0.000) 3.660 11.764 ( 0.000 1.025 0.000) 1.025 11.796 ( 0.000 -2.247 0.000) 2.247 12.891 ( 0.000 6.675 0.000) 6.675 13.002 ( 0.000 -3.842 0.000) 3.842 15.355 ( 0.000 4.579 0.000) 4.579 15.456 ( 0.000 -5.072 0.000) 5.072 16.862 ( 0.000 4.583 0.000) 4.583 16.958 ( 0.000 -5.122 0.000) 5.122 17.060 ( 0.000 2.416 0.000) 2.416 17.140 ( 0.000 -5.082 0.000) 5.082 18.171 ( 0.000 6.873 0.000) 6.873 18.280 ( 0.000 -3.000 0.000) 3.000 19.255 ( 0.000 2.476 0.000) 2.476 19.317 ( 0.000 -3.182 0.000) 3.182 19.646 ( 0.000 0.338 0.000) 0.338 19.657 ( 0.000 -0.712 0.000) 0.712 20.473 ( 0.000 2.047 0.000) 2.047 20.523 ( 0.000 -2.613 0.000) 2.613 23.261 ( 0.000 -0.272 0.000) 0.272 23.262 ( 0.000 -0.334 0.000) 0.334 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 5.289 14.552 -2.732) 15.723 1.344 ( 4.587 15.796 -4.500) 17.053 1.498 ( 4.548 -1.934 0.562) 4.974 1.587 ( 0.323 -4.094 -1.294) 4.305 1.838 ( 0.684 5.095 3.148) 6.028 2.005 ( -1.066 -5.847 -0.523) 5.967 2.253 ( -1.130 0.516 0.585) 1.373 2.275 ( -0.637 -1.691 2.235) 2.875 2.480 ( 1.487 1.327 -1.064) 2.259 2.486 ( 1.205 0.427 -4.477) 4.656 2.588 ( -0.649 0.268 1.736) 1.873 2.659 ( 1.749 -3.021 3.827) 5.180 2.762 ( -1.649 3.221 -1.510) 3.921 2.875 ( 1.306 -5.674 -1.008) 5.909 3.198 ( -2.411 1.048 -0.108) 2.631 3.236 ( -2.572 -1.972 0.548) 3.286 3.928 ( -1.150 1.566 -2.465) 3.139 3.980 ( -1.063 -3.457 -1.823) 4.050 4.447 ( -5.045 3.823 -1.580) 6.524 4.482 ( -5.100 0.656 0.416) 5.159 4.612 ( -2.402 5.291 -2.538) 6.340 4.700 ( -1.281 -2.384 -2.210) 3.493 4.795 ( 1.359 4.936 0.748) 5.174 4.880 ( 1.076 -2.207 -4.171) 4.840 5.040 ( -0.618 6.128 4.879) 7.857 5.192 ( 2.020 -6.503 -3.843) 7.819 5.442 ( -0.613 0.587 1.077) 1.371 5.488 ( 0.135 -3.367 0.437) 3.398 6.239 ( -1.111 3.530 1.981) 4.197 6.276 ( -0.116 0.320 -0.819) 0.887 6.556 ( 0.752 -1.355 0.596) 1.661 6.598 ( 1.662 -5.085 0.632) 5.387 6.849 ( -0.458 -1.234 -1.655) 2.114 6.856 ( 0.272 -1.706 -1.663) 2.398 7.626 ( -2.426 4.745 -1.824) 5.633 7.724 ( -2.217 -4.417 -1.775) 5.252 8.469 ( -1.590 11.579 1.182) 11.747 8.648 ( 0.376 -5.344 1.009) 5.451 8.898 ( 2.961 2.574 4.666) 6.096 8.939 ( 3.162 -0.736 4.001) 5.152 9.453 ( -4.524 7.020 -0.154) 8.353 9.603 ( -2.456 -3.687 -2.524) 5.098 9.611 ( -0.866 2.771 3.271) 4.374 9.702 ( 2.392 -3.221 2.632) 4.799 10.320 ( 2.149 0.937 -0.798) 2.476 10.353 ( -0.098 -1.685 -0.205) 1.700 10.505 ( -0.889 10.641 -0.260) 10.681 10.684 ( -0.186 4.235 2.398) 4.871 10.726 ( -1.457 -8.174 -1.134) 8.380 10.789 ( 0.354 -3.786 -0.600) 3.849 11.436 ( -2.264 -2.718 1.429) 3.815 11.444 ( -0.899 -2.994 0.361) 3.147 11.775 ( 0.904 1.010 0.031) 1.356 11.802 ( 0.475 -1.880 0.122) 1.943 12.757 ( -9.043 4.419 -8.729) 13.323 12.808 ( -12.172 -0.134 -12.549) 17.483 15.358 ( 0.056 4.747 0.511) 4.775 15.460 ( 0.597 -5.047 -0.236) 5.088 16.828 ( -3.406 4.534 0.526) 5.696 16.884 ( -6.615 -1.072 3.473) 7.548 17.108 ( 3.878 -0.097 -3.684) 5.350 17.178 ( 5.559 -5.357 -1.949) 7.963 18.133 ( 0.513 11.763 -5.201) 12.872 18.358 ( 5.172 -9.787 0.633) 11.088 19.267 ( -1.802 1.687 6.039) 6.524 19.312 ( -1.849 -2.500 2.859) 4.224 19.670 ( -0.440 0.058 5.021) 5.040 19.673 ( 0.014 -0.310 3.397) 3.411 20.537 ( 5.353 0.258 0.931) 5.440 20.558 ( 3.228 -1.606 0.739) 3.681 23.261 ( 0.375 -0.112 -0.692) 0.795 23.265 ( -0.421 -0.489 1.285) 1.437 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 8.465 14.154 -9.657) 19.112 1.435 ( 1.366 12.062 8.198) 14.648 1.566 ( 2.909 -4.562 -5.043) 7.396 1.633 ( 7.928 -3.096 -3.801) 9.321 1.898 ( 2.421 4.631 3.268) 6.164 2.001 ( 0.383 -1.899 2.958) 3.536 2.238 ( -0.812 0.963 0.485) 1.350 2.285 ( -0.773 -4.033 2.443) 4.778 2.412 ( -4.457 1.499 -3.630) 5.940 2.464 ( -2.048 -2.962 -3.005) 4.691 2.662 ( 4.678 4.443 4.741) 8.006 2.694 ( 0.778 7.367 -3.637) 8.253 2.767 ( 2.924 -4.715 1.730) 5.811 2.877 ( -0.753 -8.391 1.328) 8.528 3.147 ( -2.538 1.827 0.130) 3.129 3.194 ( -2.212 -2.007 0.023) 2.987 3.866 ( -2.398 2.359 -2.962) 4.482 3.925 ( -2.226 -2.953 -3.177) 4.875 4.335 ( -4.117 2.338 -2.700) 5.451 4.360 ( -6.902 0.032 -0.163) 6.904 4.562 ( -0.896 5.511 -0.726) 5.630 4.648 ( -0.645 -2.351 -4.653) 5.253 4.799 ( -1.158 4.563 0.473) 4.731 4.872 ( 0.896 -1.347 -1.986) 2.562 5.077 ( -0.355 4.065 4.722) 6.241 5.191 ( 1.994 -5.295 -4.606) 7.296 5.444 ( -0.233 1.170 1.048) 1.587 5.490 ( -0.376 -3.113 0.621) 3.196 6.238 ( -0.921 2.637 2.137) 3.517 6.270 ( 0.117 -0.024 -0.602) 0.614 6.592 ( 2.059 0.099 1.501) 2.550 6.647 ( 2.034 -4.604 2.427) 5.588 6.810 ( -1.114 -0.558 -3.478) 3.694 6.837 ( -0.336 -2.678 -2.952) 4.000 7.560 ( -2.490 4.443 -1.513) 5.313 7.654 ( -2.809 -4.420 -2.163) 5.666 8.453 ( -1.349 14.095 1.606) 14.250 8.673 ( 0.799 -7.251 1.793) 7.512 9.009 ( 3.031 3.091 5.689) 7.149 9.028 ( 1.767 2.220 3.553) 4.547 9.329 ( -6.770 7.172 -2.245) 10.115 9.505 ( -5.382 -8.203 0.114) 9.812 9.649 ( 1.500 7.497 1.629) 7.817 9.782 ( 2.634 -4.933 3.278) 6.482 10.339 ( 0.106 0.787 -1.436) 1.641 10.360 ( 0.821 -0.907 0.930) 1.537 10.489 ( 0.036 6.854 -0.755) 6.896 10.655 ( -4.753 -7.757 0.681) 9.123 10.716 ( 1.214 3.053 0.616) 3.343 10.792 ( 0.713 -3.608 -1.160) 3.856 11.408 ( -1.889 -0.713 1.603) 2.578 11.437 ( -0.336 -2.975 0.665) 3.067 11.793 ( 0.826 1.094 0.415) 1.432 11.813 ( 0.284 -0.994 0.773) 1.290 12.425 ( -12.301 4.122 -13.320) 18.594 12.473 ( -10.248 -0.632 -10.879) 14.959 15.365 ( 0.154 5.111 0.343) 5.125 15.472 ( 0.745 -5.086 -0.094) 5.142 16.767 ( -3.432 5.495 1.296) 6.607 16.814 ( -3.843 0.207 2.966) 4.858 17.138 ( 2.958 3.101 -2.985) 5.223 17.280 ( 5.891 -8.832 -1.138) 10.678 18.110 ( 1.716 15.467 -4.950) 16.330 18.442 ( 4.214 -15.929 -1.963) 16.593 19.291 ( -1.954 0.024 6.401) 6.692 19.301 ( -2.592 -0.902 3.933) 4.796 19.700 ( -0.235 0.535 3.207) 3.260 19.711 ( -0.646 -0.455 4.989) 5.051 20.625 ( 3.374 0.836 0.791) 3.565 20.662 ( 5.035 -2.860 1.549) 5.993 23.262 ( 0.366 -0.015 -0.520) 0.636 23.268 ( -0.434 -0.585 1.238) 1.437 ======================= Grid point 24 (16/100) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 2.973 10.699 -2.768) 11.444 1.526 ( -0.711 2.322 6.912) 7.326 1.585 ( 4.973 4.721 -4.208) 8.045 1.687 ( 1.476 0.929 -5.205) 5.489 2.002 ( 4.860 0.240 4.099) 6.362 2.067 ( 2.438 -2.057 1.621) 3.578 2.231 ( -0.729 1.290 -0.401) 1.535 2.253 ( -4.554 4.244 -1.060) 6.314 2.309 ( -1.209 -4.784 -0.456) 4.955 2.378 ( -3.286 -5.083 -1.654) 6.275 2.678 ( -0.026 7.769 -0.259) 7.773 2.788 ( 3.291 1.724 1.117) 3.880 2.835 ( 5.338 -3.837 -3.252) 7.335 2.881 ( -2.973 -6.626 5.554) 9.143 3.120 ( -0.028 2.044 -0.045) 2.045 3.148 ( -2.182 -0.276 -0.672) 2.300 3.805 ( -1.435 2.240 -1.168) 2.906 3.861 ( -1.354 -2.727 -1.861) 3.568 4.257 ( -2.477 0.829 -1.292) 2.914 4.264 ( -1.831 0.813 -0.393) 2.041 4.562 ( 0.306 3.372 1.345) 3.643 4.600 ( -0.432 -0.032 -3.351) 3.379 4.780 ( -0.776 4.943 0.112) 5.005 4.870 ( 0.096 -2.425 -0.465) 2.471 5.106 ( -0.148 2.404 2.267) 3.307 5.184 ( 0.746 -3.838 -2.322) 4.547 5.447 ( -0.113 1.035 0.366) 1.104 5.488 ( -0.234 -2.693 0.274) 2.717 6.244 ( -0.156 1.969 1.254) 2.339 6.265 ( -0.032 -0.012 -0.577) 0.578 6.654 ( 2.072 1.399 2.513) 3.545 6.714 ( 1.881 -3.620 3.579) 5.427 6.751 ( -1.380 -0.576 -3.245) 3.573 6.789 ( -1.342 -3.753 -3.877) 5.560 7.517 ( -0.944 3.490 -0.435) 3.642 7.597 ( -1.329 -4.044 -1.005) 4.374 8.447 ( -0.575 16.359 0.782) 16.387 8.703 ( 0.743 -8.615 0.883) 8.692 9.056 ( -0.455 5.054 1.116) 5.196 9.094 ( 0.861 1.526 3.663) 4.061 9.201 ( -3.105 9.163 -2.946) 10.113 9.434 ( -2.148 -10.703 0.633) 10.935 9.682 ( 0.700 8.848 0.607) 8.897 9.841 ( 1.027 -5.789 1.379) 6.039 10.323 ( -0.472 1.878 -0.333) 1.965 10.372 ( -0.132 -1.049 0.352) 1.114 10.504 ( 2.258 0.675 -0.831) 2.499 10.573 ( -3.735 -4.477 0.097) 5.831 10.745 ( 0.723 1.207 0.978) 1.713 10.792 ( 0.288 -2.986 -0.814) 3.108 11.395 ( -0.705 1.056 0.736) 1.467 11.439 ( -0.017 -2.921 0.265) 2.933 11.813 ( 0.670 1.123 0.612) 1.444 11.825 ( 0.045 0.121 0.878) 0.888 12.164 ( -5.108 4.331 -5.716) 8.805 12.255 ( -3.985 -4.167 -5.007) 7.637 15.369 ( 0.060 5.455 0.070) 5.456 15.483 ( 0.343 -5.302 -0.003) 5.313 16.733 ( -1.194 6.678 0.741) 6.824 16.788 ( -1.166 0.719 1.179) 1.807 17.161 ( 1.247 5.408 -1.124) 5.663 17.356 ( 2.423 -11.778 -0.131) 12.026 18.101 ( 0.791 17.179 -2.206) 17.338 18.481 ( 1.560 -18.425 -1.179) 18.528 19.288 ( -1.104 0.561 1.443) 1.902 19.308 ( -0.961 -1.361 2.944) 3.383 19.718 ( -0.134 0.898 1.238) 1.535 19.734 ( -0.274 -0.639 1.854) 1.980 20.677 ( 1.345 2.010 0.360) 2.446 20.738 ( 1.758 -3.858 0.665) 4.292 23.264 ( 0.175 -0.005 -0.236) 0.294 23.270 ( -0.209 -0.604 0.549) 0.843 ======================= Grid point 49 (17/100) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -1.580 0.000 21.648) 21.705 0.444 ( 15.621 0.000 23.257) 28.017 0.553 ( -15.577 0.000 27.808) 31.874 1.591 ( -1.875 0.000 -0.105) 1.878 1.690 ( -9.513 0.000 25.288) 27.018 2.008 ( 4.881 0.000 0.828) 4.951 2.174 ( -5.961 0.000 5.474) 8.093 2.279 ( -1.022 0.000 -4.024) 4.152 2.406 ( 2.269 0.000 -9.704) 9.966 2.529 ( -2.604 0.000 3.672) 4.502 2.574 ( 2.038 0.000 1.781) 2.707 2.708 ( -4.504 0.000 3.780) 5.880 3.065 ( 1.608 0.000 -0.298) 1.635 3.151 ( -0.694 0.000 -2.297) 2.399 3.216 ( -1.207 0.000 0.799) 1.447 3.426 ( -0.778 0.000 -2.643) 2.755 3.895 ( 1.027 0.000 1.020) 1.448 4.007 ( 6.122 0.000 -11.803) 13.296 4.042 ( -2.749 0.000 3.424) 4.391 4.132 ( 3.858 0.000 0.238) 3.866 4.369 ( -2.065 0.000 -4.457) 4.912 4.503 ( -0.309 0.000 5.873) 5.881 4.612 ( -5.500 0.000 5.468) 7.756 4.734 ( -3.777 0.000 -4.272) 5.702 5.186 ( -2.539 0.000 7.703) 8.110 5.210 ( 2.303 0.000 -5.157) 5.648 5.579 ( 0.761 0.000 -1.042) 1.290 5.784 ( -2.799 0.000 5.584) 6.246 6.055 ( 2.465 0.000 0.570) 2.530 6.462 ( 1.559 0.000 -6.559) 6.741 6.780 ( 1.339 0.000 -0.782) 1.551 6.931 ( 0.267 0.000 2.220) 2.236 6.957 ( 7.180 0.000 -13.570) 15.352 7.016 ( -3.689 0.000 1.336) 3.924 7.410 ( -0.433 0.000 0.936) 1.032 7.824 ( 1.273 0.000 -7.375) 7.484 8.333 ( -14.571 0.000 -6.046) 15.776 8.767 ( -11.300 0.000 6.808) 13.192 8.807 ( 2.292 0.000 5.953) 6.379 8.951 ( -8.174 0.000 -1.771) 8.363 9.080 ( 4.734 0.000 -4.646) 6.633 9.457 ( -0.341 0.000 1.476) 1.515 9.492 ( 26.958 0.000 -4.825) 27.387 9.729 ( 5.914 0.000 2.128) 6.285 9.972 ( 2.310 0.000 3.757) 4.410 10.254 ( 1.107 0.000 -0.438) 1.191 10.427 ( -2.372 0.000 -0.301) 2.391 10.627 ( -1.321 0.000 8.061) 8.169 10.904 ( 0.225 0.000 -5.322) 5.327 11.142 ( 3.665 0.000 6.485) 7.449 11.591 ( -31.052 0.000 0.188) 31.052 11.644 ( 0.142 0.000 -4.368) 4.370 11.673 ( 0.057 0.000 1.634) 1.635 11.961 ( 1.413 0.000 1.606) 2.139 12.261 ( -0.086 0.000 -4.174) 4.175 12.287 ( -12.877 0.000 -1.984) 13.029 15.189 ( 0.836 0.000 2.959) 3.075 16.274 ( -0.418 0.000 -12.057) 12.064 16.503 ( -44.692 0.000 -0.411) 44.694 16.676 ( 10.740 0.000 -6.587) 12.599 17.157 ( -5.730 0.000 4.883) 7.528 17.614 ( -2.435 0.000 15.482) 15.673 17.622 ( -5.426 0.000 -2.558) 5.999 18.429 ( 41.790 0.000 1.146) 41.806 19.238 ( -2.029 0.000 3.626) 4.155 19.517 ( -3.833 0.000 5.962) 7.088 19.815 ( -5.578 0.000 9.056) 10.636 20.427 ( 7.875 0.000 3.518) 8.625 20.585 ( -1.333 0.000 -4.527) 4.719 22.217 ( -37.269 0.000 4.192) 37.504 23.094 ( 6.443 0.000 -14.993) 16.319 23.265 ( 4.534 0.000 -5.338) 7.004 ======================= Grid point 50 (18/100) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -7.184 0.000 25.707) 26.692 0.673 ( 6.550 0.000 16.782) 18.015 0.979 ( 18.507 0.000 19.931) 27.198 1.559 ( -1.077 0.000 -1.317) 1.702 1.728 ( -11.027 0.000 23.985) 26.398 2.070 ( -6.424 0.000 0.563) 6.448 2.095 ( 1.683 0.000 -1.203) 2.069 2.253 ( 3.417 0.000 -1.537) 3.746 2.403 ( 3.422 0.000 -3.888) 5.180 2.526 ( -0.494 0.000 1.961) 2.022 2.644 ( 2.313 0.000 3.941) 4.570 2.666 ( -2.307 0.000 4.544) 5.096 3.084 ( 0.259 0.000 -2.561) 2.574 3.100 ( -1.847 0.000 -0.848) 2.032 3.184 ( -3.236 0.000 1.584) 3.603 3.349 ( -3.960 0.000 -3.924) 5.575 3.883 ( -2.405 0.000 -0.784) 2.529 4.001 ( -5.732 0.000 6.188) 8.435 4.036 ( 7.568 0.000 -10.107) 12.626 4.234 ( 7.755 0.000 -5.565) 9.546 4.325 ( -0.616 0.000 2.932) 2.996 4.549 ( -7.917 0.000 9.171) 12.115 4.567 ( 0.795 0.000 6.807) 6.853 4.628 ( -1.134 0.000 -8.331) 8.408 5.149 ( -3.957 0.000 -1.436) 4.210 5.240 ( 5.287 0.000 -4.185) 6.743 5.588 ( 1.394 0.000 -1.721) 2.215 5.792 ( -4.021 0.000 9.875) 10.662 6.102 ( 1.569 0.000 -0.152) 1.577 6.349 ( -5.386 0.000 -4.897) 7.279 6.802 ( 1.379 0.000 -0.216) 1.395 6.921 ( -4.145 0.000 4.322) 5.989 6.971 ( 6.201 0.000 -11.016) 12.642 6.997 ( 0.559 0.000 -1.345) 1.457 7.394 ( -0.587 0.000 -2.456) 2.526 7.777 ( 0.554 0.000 -5.421) 5.450 7.861 ( -25.853 0.000 5.241) 26.379 8.701 ( -10.211 0.000 -6.754) 12.242 8.824 ( 2.393 0.000 9.842) 10.129 8.922 ( 1.916 0.000 5.159) 5.504 9.099 ( -2.041 0.000 1.261) 2.399 9.486 ( 3.232 0.000 0.003) 3.232 9.559 ( -2.320 0.000 -5.636) 6.095 9.855 ( 4.276 0.000 -4.310) 6.071 10.171 ( 11.793 0.000 1.938) 11.951 10.330 ( 6.551 0.000 -0.967) 6.622 10.386 ( -1.762 0.000 -1.083) 2.068 10.720 ( 2.230 0.000 9.185) 9.452 10.880 ( 0.761 0.000 -2.634) 2.742 11.072 ( -25.827 0.000 19.297) 32.240 11.255 ( 2.007 0.000 5.428) 5.787 11.607 ( 0.800 0.000 -4.632) 4.701 11.695 ( -0.008 0.000 2.791) 2.791 11.975 ( -1.124 0.000 0.305) 1.165 12.125 ( -4.888 0.000 -6.216) 7.908 12.252 ( 2.696 0.000 -2.578) 3.730 15.227 ( -1.341 0.000 5.682) 5.838 15.980 ( -18.217 0.000 7.444) 19.679 16.108 ( -1.606 0.000 -15.136) 15.221 16.850 ( 5.976 0.000 3.058) 6.713 17.111 ( -1.674 0.000 3.176) 3.590 17.486 ( -5.628 0.000 -3.851) 6.819 17.743 ( 1.617 0.000 12.889) 12.990 18.937 ( 21.604 0.000 -10.060) 23.832 19.237 ( -1.620 0.000 3.804) 4.134 19.468 ( -6.375 0.000 4.792) 7.975 19.797 ( -4.358 0.000 7.875) 9.000 20.372 ( -16.766 0.000 13.231) 21.358 20.593 ( 3.592 0.000 -3.177) 4.796 21.513 ( -37.185 0.000 25.753) 45.232 23.076 ( 6.785 0.000 -15.856) 17.246 23.306 ( 3.824 0.000 -3.465) 5.161 ======================= Grid point 51 (19/100) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -1.164 0.000 19.804) 19.838 0.936 ( 6.285 0.000 12.262) 13.779 1.448 ( 13.498 0.000 12.865) 18.647 1.511 ( -2.213 0.000 -2.916) 3.661 1.707 ( -12.305 0.000 20.707) 24.087 1.997 ( -2.329 0.000 1.459) 2.748 2.044 ( 0.850 0.000 -9.948) 9.984 2.374 ( 4.452 0.000 5.968) 7.445 2.426 ( 2.910 0.000 -4.927) 5.722 2.542 ( 0.529 0.000 1.541) 1.629 2.692 ( 0.025 0.000 4.054) 4.054 2.728 ( 2.881 0.000 3.317) 4.394 3.004 ( -1.859 0.000 -5.394) 5.706 3.099 ( -0.964 0.000 1.539) 1.815 3.129 ( -4.701 0.000 3.141) 5.654 3.223 ( -5.719 0.000 -2.421) 6.210 3.793 ( -3.504 0.000 -5.172) 6.248 3.968 ( -5.195 0.000 9.304) 10.656 4.079 ( 4.484 0.000 -7.297) 8.565 4.267 ( 6.747 0.000 -12.029) 13.792 4.450 ( 7.382 0.000 5.189) 9.023 4.486 ( -10.016 0.000 14.644) 17.742 4.544 ( 1.105 0.000 -9.280) 9.346 4.658 ( 1.422 0.000 7.944) 8.070 5.033 ( -4.290 0.000 -6.182) 7.525 5.320 ( 6.071 0.000 -2.383) 6.522 5.590 ( 0.834 0.000 -2.931) 3.047 5.806 ( -7.728 0.000 16.665) 18.370 6.080 ( -0.955 0.000 -6.149) 6.223 6.241 ( -3.030 0.000 0.218) 3.038 6.825 ( 1.257 0.000 -0.569) 1.380 6.879 ( -4.390 0.000 4.747) 6.466 6.984 ( 4.603 0.000 -8.488) 9.656 6.989 ( 0.318 0.000 -1.597) 1.628 7.350 ( 0.484 0.000 -5.987) 6.007 7.558 ( -13.346 0.000 8.448) 15.795 7.757 ( 1.061 0.000 -2.713) 2.913 8.474 ( -6.744 0.000 -5.587) 8.758 8.937 ( 1.408 0.000 5.672) 5.844 8.940 ( -1.294 0.000 -3.241) 3.489 9.094 ( -3.056 0.000 10.024) 10.479 9.446 ( -3.730 0.000 -5.335) 6.510 9.554 ( 4.194 0.000 -1.964) 4.631 9.864 ( 2.303 0.000 -5.665) 6.115 10.298 ( -2.057 0.000 -1.891) 2.794 10.395 ( 4.458 0.000 5.334) 6.952 10.453 ( 7.828 0.000 -2.193) 8.130 10.834 ( -0.925 0.000 7.680) 7.736 10.869 ( -0.989 0.000 -0.251) 1.020 10.939 ( -5.589 0.000 14.665) 15.694 11.296 ( -0.334 0.000 -0.121) 0.355 11.603 ( 2.078 0.000 -2.340) 3.130 11.723 ( -0.335 0.000 3.303) 3.320 11.938 ( -1.285 0.000 -2.152) 2.507 11.973 ( -4.048 0.000 -5.633) 6.937 12.302 ( 2.746 0.000 0.928) 2.899 15.236 ( -4.083 0.000 7.425) 8.474 15.827 ( -4.658 0.000 2.587) 5.328 15.978 ( 2.751 0.000 -15.149) 15.397 16.881 ( -9.022 0.000 13.142) 15.940 17.191 ( 7.592 0.000 -1.903) 7.827 17.366 ( -3.790 0.000 -1.827) 4.207 17.881 ( 2.225 0.000 7.795) 8.106 19.135 ( 11.577 0.000 -13.236) 17.585 19.247 ( -1.452 0.000 4.416) 4.649 19.380 ( -6.739 0.000 4.098) 7.887 19.799 ( -3.138 0.000 7.683) 8.299 20.172 ( -17.887 0.000 16.548) 24.367 20.624 ( 1.240 0.000 0.703) 1.425 21.251 ( -15.471 0.000 17.682) 23.494 23.062 ( 7.649 0.000 -16.696) 18.364 23.336 ( 2.083 0.000 -2.457) 3.221 ======================= Grid point 52 (20/100) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -2.197 0.000 15.280) 15.437 1.075 ( -2.828 0.000 6.637) 7.214 1.454 ( 0.719 0.000 -2.517) 2.617 1.564 ( -8.629 0.000 4.173) 9.584 1.725 ( -6.583 0.000 15.939) 17.245 1.996 ( 4.407 0.000 -10.527) 11.412 2.001 ( 0.909 0.000 2.940) 3.077 2.440 ( 3.960 0.000 -4.167) 5.748 2.450 ( -1.521 0.000 3.057) 3.414 2.591 ( 1.672 0.000 3.944) 4.284 2.717 ( -1.725 0.000 3.658) 4.044 2.788 ( 0.362 0.000 1.167) 1.222 2.956 ( 1.830 0.000 -4.019) 4.416 3.082 ( -3.466 0.000 4.935) 6.031 3.090 ( -0.821 0.000 0.728) 1.097 3.125 ( -2.476 0.000 0.410) 2.510 3.697 ( -1.027 0.000 -5.075) 5.178 3.962 ( -3.784 0.000 7.166) 8.104 4.073 ( 2.420 0.000 -6.688) 7.112 4.278 ( 3.946 0.000 -9.615) 10.394 4.423 ( -9.380 0.000 13.742) 16.638 4.500 ( 2.253 0.000 -7.388) 7.724 4.672 ( 8.174 0.000 8.031) 11.459 4.761 ( 0.936 0.000 9.361) 9.408 4.894 ( -1.160 0.000 -11.555) 11.613 5.407 ( 3.768 0.000 0.070) 3.769 5.562 ( 0.190 0.000 -4.986) 4.990 5.796 ( -12.211 0.000 21.949) 25.117 6.007 ( 0.331 0.000 -6.060) 6.069 6.217 ( 0.220 0.000 -1.032) 1.055 6.830 ( 0.341 0.000 -1.832) 1.864 6.848 ( -3.272 0.000 4.107) 5.251 6.984 ( 3.637 0.000 -8.385) 9.140 6.995 ( 1.207 0.000 0.179) 1.220 7.323 ( 2.526 0.000 -5.382) 5.945 7.492 ( -4.110 0.000 11.702) 12.403 7.751 ( 0.991 0.000 -3.210) 3.360 8.384 ( 0.758 0.000 -0.875) 1.158 8.866 ( -1.656 0.000 -5.035) 5.300 8.971 ( -2.073 0.000 2.556) 3.291 9.133 ( -3.052 0.000 10.050) 10.503 9.331 ( -1.591 0.000 -8.494) 8.641 9.588 ( 1.915 0.000 -3.787) 4.244 9.847 ( 2.316 0.000 -7.476) 7.827 10.207 ( -5.328 0.000 -0.511) 5.352 10.515 ( 1.770 0.000 6.351) 6.593 10.575 ( 7.093 0.000 -2.463) 7.508 10.819 ( -4.504 0.000 3.409) 5.649 10.828 ( -3.707 0.000 1.194) 3.895 11.048 ( 0.386 0.000 13.976) 13.981 11.255 ( -0.667 0.000 -5.799) 5.837 11.628 ( 1.655 0.000 -0.557) 1.746 11.701 ( -2.651 0.000 -1.794) 3.201 11.904 ( 0.144 0.000 -2.548) 2.552 11.958 ( 3.514 0.000 5.009) 6.119 12.352 ( 0.767 0.000 2.351) 2.473 15.215 ( -4.545 0.000 6.016) 7.540 15.823 ( 0.173 0.000 4.931) 4.934 15.936 ( 7.068 0.000 -14.431) 16.069 16.819 ( -9.950 0.000 13.778) 16.995 17.292 ( 3.973 0.000 -0.905) 4.075 17.323 ( -0.155 0.000 0.688) 0.705 17.940 ( -1.782 0.000 2.706) 3.240 19.143 ( 4.634 0.000 -17.886) 18.476 19.249 ( -2.550 0.000 3.536) 4.360 19.328 ( -2.895 0.000 6.086) 6.739 19.809 ( -3.424 0.000 7.160) 7.936 20.016 ( -13.560 0.000 14.106) 19.566 20.655 ( 0.714 0.000 1.766) 1.905 21.184 ( -8.575 0.000 15.655) 17.849 23.059 ( 8.463 0.000 -17.045) 19.030 23.337 ( 0.575 0.000 -2.913) 2.969 ======================= Grid point 53 (21/100) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -8.959 0.000 13.997) 16.619 0.943 ( -12.935 0.000 1.086) 12.981 1.307 ( -17.232 0.000 -7.434) 18.767 1.505 ( 4.089 0.000 0.658) 4.142 1.672 ( -12.181 0.000 17.598) 21.403 2.008 ( 5.150 0.000 -8.481) 9.922 2.084 ( 2.272 0.000 7.795) 8.119 2.410 ( -3.290 0.000 0.682) 3.359 2.480 ( 2.258 0.000 -3.021) 3.771 2.610 ( -3.435 0.000 2.368) 4.172 2.673 ( -4.431 0.000 -0.052) 4.431 2.749 ( -4.459 0.000 0.306) 4.469 2.993 ( 4.250 0.000 -2.823) 5.102 3.097 ( 1.178 0.000 0.955) 1.517 3.101 ( 0.760 0.000 4.363) 4.428 3.173 ( 5.053 0.000 3.359) 6.068 3.676 ( 2.168 0.000 -1.718) 2.766 3.958 ( -1.750 0.000 3.774) 4.160 4.060 ( 3.177 0.000 -7.769) 8.394 4.226 ( -2.195 0.000 -4.064) 4.619 4.393 ( -5.668 0.000 10.288) 11.746 4.487 ( 1.855 0.000 -4.421) 4.795 4.743 ( -5.509 0.000 1.707) 5.767 4.852 ( -0.724 0.000 9.301) 9.329 4.931 ( 13.912 0.000 -7.337) 15.728 5.425 ( -2.931 0.000 -0.363) 2.953 5.538 ( 2.997 0.000 -4.366) 5.296 5.765 ( -10.844 0.000 20.099) 22.838 5.985 ( 1.112 0.000 -2.730) 2.948 6.227 ( 0.871 0.000 1.126) 1.424 6.806 ( -0.443 0.000 -2.763) 2.798 6.833 ( -1.586 0.000 3.172) 3.546 6.971 ( 4.579 0.000 -11.113) 12.019 7.035 ( 2.010 0.000 1.257) 2.371 7.343 ( 2.714 0.000 -1.951) 3.343 7.604 ( 1.451 0.000 18.081) 18.139 7.749 ( 2.593 0.000 -3.402) 4.277 8.473 ( 7.267 0.000 1.996) 7.536 8.797 ( -0.658 0.000 -5.128) 5.170 8.892 ( -7.102 0.000 -1.279) 7.216 9.167 ( -2.250 0.000 8.961) 9.239 9.253 ( 2.523 0.000 -9.448) 9.779 9.555 ( -0.979 0.000 -5.099) 5.192 9.810 ( 1.512 0.000 -9.086) 9.211 10.103 ( -5.912 0.000 1.281) 6.049 10.573 ( -0.716 0.000 3.894) 3.959 10.624 ( -2.677 0.000 -0.724) 2.773 10.738 ( -6.199 0.000 1.950) 6.498 10.799 ( 2.223 0.000 0.236) 2.235 11.176 ( -0.836 0.000 -8.322) 8.364 11.195 ( 0.830 0.000 16.738) 16.758 11.647 ( -0.755 0.000 -1.734) 1.891 11.649 ( 1.032 0.000 -0.355) 1.092 11.895 ( 1.194 0.000 -2.540) 2.807 12.142 ( 7.266 0.000 10.391) 12.679 12.369 ( -1.141 0.000 2.091) 2.381 15.185 ( -3.056 0.000 3.440) 4.601 15.922 ( 1.231 0.000 14.477) 14.530 15.974 ( 10.384 0.000 -13.172) 16.773 16.772 ( -7.128 0.000 10.899) 13.023 17.321 ( -0.098 0.000 -0.411) 0.422 17.370 ( 3.595 0.000 2.049) 4.138 17.857 ( -8.175 0.000 0.664) 8.202 18.983 ( -1.216 0.000 -24.818) 24.848 19.239 ( -1.838 0.000 3.918) 4.328 19.366 ( -0.079 0.000 7.069) 7.069 19.794 ( -4.903 0.000 7.215) 8.723 19.927 ( -8.592 0.000 11.938) 14.708 20.676 ( -0.356 0.000 1.854) 1.888 21.209 ( -5.671 0.000 19.342) 20.156 23.068 ( 8.894 0.000 -16.655) 18.881 23.308 ( 0.150 0.000 -4.471) 4.473 ======================= Grid point 54 (22/100) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -16.763 0.000 3.337) 17.092 0.788 ( -17.298 0.000 11.605) 20.830 0.837 ( -21.302 0.000 -6.433) 22.253 1.584 ( 2.319 0.000 2.453) 3.375 1.632 ( -11.054 0.000 21.180) 23.891 1.993 ( 1.236 0.000 -8.248) 8.340 2.219 ( 1.537 0.000 12.180) 12.277 2.372 ( -1.337 0.000 0.339) 1.379 2.437 ( -5.361 0.000 2.450) 5.894 2.539 ( -4.272 0.000 1.407) 4.498 2.595 ( 0.386 0.000 -6.456) 6.468 2.660 ( -4.974 0.000 0.378) 4.989 3.027 ( 1.895 0.000 -2.008) 2.761 3.145 ( 2.413 0.000 0.279) 2.430 3.165 ( 1.863 0.000 2.856) 3.410 3.320 ( 6.354 0.000 2.494) 6.826 3.736 ( 3.997 0.000 1.275) 4.196 3.978 ( 1.242 0.000 2.163) 2.494 4.043 ( 3.683 0.000 -10.285) 10.925 4.149 ( -2.584 0.000 -2.035) 3.289 4.400 ( -3.271 0.000 10.134) 10.649 4.482 ( 0.066 0.000 -0.803) 0.805 4.662 ( -1.985 0.000 -3.185) 3.752 4.887 ( -3.417 0.000 6.134) 7.022 5.093 ( 6.939 0.000 -2.057) 7.238 5.329 ( -3.700 0.000 -3.975) 5.431 5.566 ( 1.736 0.000 -0.908) 1.959 5.769 ( -5.798 0.000 14.471) 15.589 5.990 ( 0.578 0.000 0.576) 0.816 6.266 ( -0.053 0.000 6.115) 6.115 6.776 ( 0.139 0.000 -2.566) 2.570 6.852 ( 0.741 0.000 2.428) 2.538 6.957 ( 6.167 0.000 -13.844) 15.155 7.081 ( 1.452 0.000 0.950) 1.735 7.376 ( 1.169 0.000 0.788) 1.410 7.792 ( 4.792 0.000 -3.282) 5.808 7.886 ( 7.206 0.000 27.561) 28.487 8.649 ( 8.532 0.000 0.134) 8.533 8.712 ( -9.738 0.000 0.286) 9.742 8.763 ( 1.488 0.000 -1.099) 1.850 9.213 ( -1.062 0.000 6.500) 6.586 9.235 ( 3.980 0.000 -10.853) 11.560 9.471 ( -2.304 0.000 -4.733) 5.264 9.735 ( -0.847 0.000 -7.756) 7.802 10.018 ( -4.623 0.000 2.014) 5.043 10.491 ( -8.953 0.000 -0.759) 8.985 10.550 ( -2.661 0.000 -1.385) 3.000 10.658 ( -5.415 0.000 5.344) 7.608 10.892 ( 5.619 0.000 0.875) 5.687 11.076 ( -1.561 0.000 -8.234) 8.381 11.405 ( 3.820 0.000 20.610) 20.961 11.639 ( 0.596 0.000 -0.221) 0.636 11.663 ( 1.097 0.000 -0.828) 1.375 11.899 ( 1.593 0.000 -2.318) 2.812 12.351 ( -1.940 0.000 0.569) 2.022 12.385 ( 7.555 0.000 10.908) 13.269 15.167 ( -1.183 0.000 1.324) 1.776 16.083 ( 12.967 0.000 -11.058) 17.042 16.182 ( 4.588 0.000 36.849) 37.133 16.740 ( -4.061 0.000 3.816) 5.572 17.287 ( -2.737 0.000 -0.612) 2.805 17.476 ( 5.790 0.000 0.199) 5.794 17.687 ( -11.135 0.000 4.944) 12.183 18.619 ( -9.772 0.000 -34.811) 36.157 19.244 ( -1.907 0.000 4.378) 4.775 19.439 ( 0.655 0.000 6.985) 7.015 19.792 ( -3.742 0.000 12.240) 12.799 19.907 ( -4.127 0.000 10.396) 11.186 20.673 ( -1.443 0.000 1.269) 1.921 21.351 ( -2.367 0.000 31.757) 31.845 23.086 ( 8.677 0.000 -15.645) 17.890 23.268 ( 1.040 0.000 -6.129) 6.217 ======================= Grid point 55 (23/100) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( -20.650 0.000 -2.051) 20.752 0.428 ( -15.515 0.000 13.819) 20.776 0.649 ( -18.679 0.000 22.926) 29.572 1.619 ( -1.300 0.000 2.321) 2.660 1.643 ( -9.779 0.000 23.794) 25.725 1.952 ( 2.603 0.000 -5.247) 5.857 2.233 ( -7.673 0.000 7.102) 10.455 2.335 ( -2.119 0.000 -1.551) 2.626 2.447 ( 3.041 0.000 -5.383) 6.183 2.520 ( -0.884 0.000 4.340) 4.429 2.580 ( -2.972 0.000 -0.644) 3.041 2.631 ( 4.958 0.000 8.024) 9.433 3.041 ( 1.321 0.000 -0.938) 1.621 3.169 ( 0.618 0.000 -1.297) 1.437 3.210 ( 0.770 0.000 1.375) 1.576 3.420 ( 2.803 0.000 -0.058) 2.803 3.830 ( 4.064 0.000 1.642) 4.384 4.016 ( 4.460 0.000 -11.616) 12.443 4.030 ( 1.219 0.000 2.314) 2.616 4.105 ( -0.053 0.000 -1.554) 1.555 4.434 ( 0.590 0.000 -1.966) 2.053 4.478 ( -1.326 0.000 3.175) 3.441 4.625 ( -1.833 0.000 4.369) 4.738 4.836 ( -5.009 0.000 0.817) 5.075 5.148 ( -1.859 0.000 6.383) 6.648 5.243 ( -0.857 0.000 -4.833) 4.908 5.578 ( 0.318 0.000 -0.536) 0.623 5.789 ( -3.489 0.000 7.658) 8.415 6.015 ( 1.973 0.000 -0.765) 2.116 6.369 ( 3.906 0.000 9.045) 9.852 6.768 ( 1.070 0.000 -1.709) 2.016 6.894 ( 1.444 0.000 1.670) 2.208 6.951 ( 7.152 0.000 -14.734) 16.378 7.084 ( -1.818 0.000 -0.941) 2.048 7.399 ( 0.097 0.000 1.795) 1.797 7.839 ( 3.764 0.000 -5.460) 6.632 8.343 ( 11.363 0.000 9.962) 15.112 8.724 ( 9.556 0.000 31.543) 32.959 8.726 ( 2.366 0.000 0.972) 2.558 8.893 ( 7.843 0.000 2.997) 8.396 9.120 ( -4.954 0.000 -14.799) 15.606 9.178 ( -5.073 0.000 -3.418) 6.117 9.437 ( 0.669 0.000 1.115) 1.300 9.680 ( 0.350 0.000 -1.005) 1.064 9.967 ( -2.686 0.000 1.939) 3.313 10.321 ( -6.932 0.000 -1.247) 7.043 10.482 ( -2.511 0.000 -1.718) 3.042 10.620 ( -4.379 0.000 6.397) 7.752 10.969 ( 0.258 0.000 -7.981) 7.985 11.018 ( 3.180 0.000 4.780) 5.741 11.645 ( 1.956 0.000 1.507) 2.469 11.668 ( 0.758 0.000 -2.444) 2.559 11.706 ( 7.304 0.000 9.631) 12.088 11.918 ( 2.072 0.000 -0.593) 2.156 12.310 ( -1.687 0.000 -1.956) 2.584 12.555 ( 1.123 0.000 -2.587) 2.820 15.163 ( -0.097 0.000 0.796) 0.802 16.242 ( 12.309 0.000 -8.734) 15.093 16.670 ( -1.429 0.000 -6.656) 6.808 16.928 ( 26.030 0.000 44.862) 51.867 17.221 ( -4.205 0.000 1.283) 4.396 17.559 ( 6.679 0.000 0.624) 6.708 17.580 ( -8.258 0.000 12.896) 15.314 17.962 ( -24.380 0.000 -25.227) 35.082 19.243 ( -2.189 0.000 4.038) 4.593 19.503 ( -0.950 0.000 6.696) 6.763 19.831 ( -5.797 0.000 11.958) 13.289 20.082 ( 13.531 0.000 13.668) 19.233 20.645 ( -1.979 0.000 -0.589) 2.065 21.860 ( 20.682 0.000 52.338) 56.276 23.101 ( 7.483 0.000 -14.798) 16.583 23.246 ( 3.084 0.000 -6.623) 7.306 ======================= Grid point 56 (24/100) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -3.887 10.198 9.772) 14.650 0.609 ( 7.635 13.524 15.021) 21.606 0.915 ( -7.096 22.486 19.564) 30.638 1.665 ( -2.614 3.868 1.007) 4.775 1.733 ( -6.307 4.480 15.900) 17.682 2.014 ( 1.763 1.029 -2.574) 3.285 2.218 ( -3.578 2.062 4.639) 6.211 2.261 ( 0.666 -0.139 -1.612) 1.750 2.465 ( -0.076 4.754 -5.306) 7.125 2.529 ( -2.606 0.163 2.937) 3.930 2.583 ( 2.302 0.438 -1.443) 2.752 2.672 ( -3.552 -4.335 2.501) 6.137 3.007 ( 0.773 -5.394 2.026) 5.814 3.171 ( 0.363 -0.342 -3.292) 3.330 3.202 ( 0.314 -1.769 -1.276) 2.203 3.311 ( -0.936 -6.648 0.444) 6.728 3.926 ( 3.638 1.054 -6.764) 7.752 4.030 ( -0.676 0.771 -5.148) 5.249 4.192 ( 1.000 10.203 -3.772) 10.924 4.273 ( 4.380 10.446 -1.128) 11.383 4.388 ( 0.439 2.425 -3.094) 3.955 4.550 ( -2.689 3.118 3.926) 5.689 4.628 ( -3.735 2.373 1.199) 4.585 4.738 ( -3.402 0.303 -3.777) 5.093 5.181 ( -1.051 -0.201 6.397) 6.486 5.223 ( -0.044 0.914 -2.443) 2.608 5.559 ( 1.111 -1.740 -2.303) 3.094 5.738 ( -3.876 -4.670 8.390) 10.355 6.054 ( 3.033 0.619 -1.079) 3.278 6.348 ( -1.514 -5.981 1.606) 6.375 6.735 ( 0.404 -3.897 0.040) 3.918 6.868 ( 5.202 -6.588 -6.592) 10.673 6.921 ( -0.002 -1.390 -0.155) 1.399 7.008 ( -2.642 -2.542 -1.788) 4.079 7.416 ( 1.042 1.567 -2.348) 3.009 7.805 ( 1.495 -1.683 -7.539) 7.868 8.297 ( -18.065 -0.576 7.208) 19.458 8.589 ( 7.298 0.117 11.594) 13.700 8.830 ( 2.075 0.989 4.503) 5.056 8.966 ( -4.372 0.723 1.611) 4.715 9.186 ( 4.819 5.600 0.556) 7.409 9.404 ( -4.871 1.792 -4.589) 6.928 9.716 ( 10.860 1.228 -4.852) 11.958 9.726 ( 2.244 2.835 -2.148) 4.205 10.066 ( 4.631 7.858 0.052) 9.121 10.269 ( 2.400 0.558 -1.641) 2.961 10.432 ( -2.869 0.895 -0.276) 3.018 10.605 ( -0.688 -1.731 7.615) 7.839 10.886 ( -1.321 -1.161 -0.751) 1.912 11.051 ( -0.724 -5.172 6.950) 8.693 11.570 ( -1.660 -1.952 -5.386) 5.965 11.662 ( 1.755 -1.562 1.506) 2.791 11.714 ( -3.707 1.238 -1.536) 4.199 12.032 ( 1.488 -7.373 -2.061) 7.799 12.367 ( -9.119 20.550 -22.786) 32.010 12.471 ( -7.024 9.638 -7.181) 13.921 15.219 ( 0.546 2.769 3.153) 4.232 16.013 ( -15.641 -18.169 5.316) 24.556 16.474 ( -2.496 6.341 -2.147) 7.145 16.885 ( 5.408 6.726 -14.450) 16.831 17.164 ( -11.239 0.011 2.938) 11.617 17.500 ( -3.752 -7.418 2.750) 8.757 17.705 ( -5.833 4.641 3.426) 8.204 18.373 ( 31.371 -4.524 0.736) 31.704 19.282 ( -1.356 3.628 5.080) 6.389 19.506 ( -3.621 -0.882 6.557) 7.542 19.818 ( -5.541 0.250 10.222) 11.629 20.421 ( 13.665 -1.988 3.370) 14.214 20.535 ( -7.592 -5.158 1.057) 9.239 21.180 ( -31.779 -49.903 63.792) 87.004 23.101 ( 6.562 0.277 -14.965) 16.343 23.260 ( 4.536 -1.302 -6.235) 7.820 ======================= Grid point 57 (25/100) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 1.587 3.869 15.222) 15.786 0.978 ( 5.850 10.768 17.146) 21.076 1.041 ( 9.343 12.817 12.236) 20.032 1.639 ( -1.214 6.237 2.244) 6.739 1.755 ( -8.289 2.534 17.742) 19.746 2.010 ( -1.125 -0.449 0.421) 1.283 2.205 ( -2.547 3.881 0.719) 4.698 2.252 ( 3.209 0.407 -4.615) 5.636 2.427 ( 1.442 2.091 -2.583) 3.622 2.541 ( -0.083 1.310 2.309) 2.656 2.598 ( 0.512 -3.667 0.545) 3.743 2.643 ( -1.117 -1.934 4.154) 4.716 3.032 ( -0.545 -5.249 1.975) 5.634 3.114 ( -2.121 0.595 -4.746) 5.232 3.184 ( -1.032 -2.112 -0.711) 2.455 3.276 ( -3.226 -3.109 -0.039) 4.480 3.901 ( -0.053 0.142 -6.740) 6.742 3.971 ( -3.444 -0.495 2.413) 4.234 4.163 ( 0.619 8.577 -4.768) 9.833 4.337 ( 5.303 7.672 -8.510) 12.625 4.381 ( -0.007 4.809 4.279) 6.437 4.527 ( -7.212 -0.659 9.288) 11.778 4.594 ( -0.097 1.909 2.944) 3.510 4.648 ( -0.687 1.850 -7.007) 7.280 5.163 ( -4.121 0.996 -0.496) 4.269 5.240 ( 5.097 0.095 -2.847) 5.839 5.560 ( 0.818 -2.472 -1.582) 3.046 5.750 ( -4.765 -4.329 11.219) 12.935 6.095 ( 2.820 0.251 -2.860) 4.024 6.290 ( -4.070 -3.515 -0.654) 5.417 6.747 ( 0.609 -4.453 0.571) 4.531 6.875 ( 0.889 -4.535 -2.975) 5.496 6.935 ( 1.025 -2.295 -1.616) 2.988 6.951 ( -0.846 -4.118 -2.254) 4.770 7.402 ( 0.259 1.297 -3.231) 3.491 7.756 ( 0.520 -1.377 -6.174) 6.347 7.996 ( -18.091 11.044 5.999) 22.029 8.739 ( -1.541 2.524 -1.533) 3.331 8.870 ( -1.251 4.201 5.019) 6.664 8.940 ( 1.473 1.686 7.000) 7.350 9.193 ( -5.242 6.867 -2.852) 9.097 9.342 ( 2.490 -4.138 1.568) 5.077 9.691 ( -1.451 4.111 -4.692) 6.405 9.846 ( 5.084 -0.901 -2.079) 5.566 10.183 ( 7.185 2.587 1.808) 7.847 10.337 ( 3.669 -1.203 -2.876) 4.814 10.400 ( 0.706 1.526 0.753) 1.842 10.699 ( 2.718 -1.686 7.608) 8.253 10.868 ( -1.221 -0.610 1.576) 2.085 11.039 ( -8.769 -4.132 8.174) 12.680 11.416 ( -7.152 9.040 -3.904) 12.171 11.594 ( -2.836 -0.224 -1.583) 3.256 11.714 ( 1.013 0.796 2.583) 2.887 11.987 ( -4.082 -5.715 -2.048) 7.316 12.089 ( -1.949 7.814 -5.891) 9.978 12.356 ( -1.589 6.080 -7.069) 9.458 15.254 ( -1.459 2.415 5.543) 6.220 15.804 ( -9.348 -9.410 3.468) 13.709 16.300 ( -5.562 11.467 -9.782) 16.066 16.924 ( 0.571 4.949 1.911) 5.336 17.112 ( 2.719 0.200 0.284) 2.741 17.426 ( -3.348 -4.937 -1.768) 6.221 17.725 ( -0.038 -1.345 8.300) 8.408 18.786 ( 18.507 -11.868 -8.759) 23.666 19.307 ( -0.659 4.521 4.161) 6.179 19.470 ( -5.898 0.177 5.371) 7.979 19.810 ( -4.624 1.148 9.207) 10.367 20.332 ( -18.750 -4.347 15.412) 24.657 20.586 ( 3.940 -0.398 -0.987) 4.081 21.157 ( -18.156 -23.771 34.404) 45.589 23.084 ( 6.656 0.578 -15.606) 16.976 23.291 ( 3.861 -1.602 -4.503) 6.144 ======================= Grid point 58 (26/100) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 4.915 4.062 13.177) 14.639 1.155 ( 2.338 15.432 11.878) 19.614 1.333 ( 7.792 -3.555 2.668) 8.971 1.679 ( -0.327 7.833 7.545) 10.880 1.748 ( -6.918 4.316 15.738) 17.725 1.991 ( 0.201 1.102 -1.656) 1.999 2.126 ( -1.595 5.242 -6.111) 8.208 2.322 ( 3.068 -3.597 3.341) 5.789 2.436 ( 1.516 -0.136 -3.324) 3.656 2.545 ( 0.215 0.549 1.191) 1.329 2.669 ( 1.671 -0.959 4.620) 5.005 2.686 ( 2.644 -3.957 3.969) 6.197 2.991 ( -2.239 -2.145 -3.992) 5.055 3.057 ( -1.123 -2.562 -0.378) 2.823 3.146 ( -2.631 -1.706 -0.403) 3.161 3.194 ( -5.603 0.378 1.235) 5.750 3.804 ( -3.180 0.412 -6.025) 6.825 3.954 ( -3.424 -0.920 7.410) 8.215 4.134 ( 0.556 4.166 -4.829) 6.402 4.315 ( 5.041 4.007 -13.752) 15.185 4.474 ( -8.624 -0.301 12.758) 15.402 4.486 ( 4.157 2.971 7.108) 8.754 4.587 ( 0.680 3.145 -6.123) 6.917 4.657 ( 2.980 0.636 3.267) 4.467 5.061 ( -4.159 2.275 -4.163) 6.309 5.325 ( 5.620 0.293 -1.628) 5.858 5.559 ( 0.731 -2.768 -2.045) 3.518 5.753 ( -8.412 -4.796 16.211) 18.883 6.089 ( 1.259 1.566 -6.951) 7.235 6.227 ( -1.939 -0.981 0.342) 2.199 6.767 ( 0.414 -4.404 1.488) 4.667 6.864 ( -1.517 -1.997 1.694) 3.027 6.898 ( 0.827 -5.417 -5.497) 7.762 6.955 ( 1.414 -3.678 -1.839) 4.349 7.370 ( 0.744 1.787 -5.407) 5.743 7.718 ( -0.884 0.772 -2.445) 2.712 7.780 ( -10.007 13.799 6.177) 18.130 8.590 ( -4.841 9.374 -6.218) 12.246 8.947 ( 1.232 1.848 2.349) 3.233 8.985 ( -1.619 2.747 1.471) 3.512 9.107 ( -4.167 0.644 7.270) 8.404 9.387 ( 0.783 -0.727 -0.924) 1.413 9.626 ( -0.238 2.951 -4.595) 5.466 9.877 ( 2.414 0.911 -4.873) 5.515 10.299 ( -2.178 0.011 -1.902) 2.892 10.355 ( 6.221 -1.547 3.584) 7.345 10.476 ( 5.003 0.122 -0.273) 5.011 10.811 ( 0.532 -2.384 6.081) 6.553 10.859 ( -1.389 -0.698 1.369) 2.071 10.944 ( -6.851 -1.266 10.273) 12.413 11.322 ( -1.510 3.504 -2.673) 4.659 11.566 ( 0.173 -2.650 -0.760) 2.762 11.756 ( 0.672 1.564 3.052) 3.494 11.914 ( -1.680 -2.932 -1.630) 3.752 11.991 ( -3.377 3.218 -5.409) 7.142 12.316 ( 1.409 0.847 -1.319) 2.107 15.260 ( -3.836 2.259 6.950) 8.254 15.721 ( -1.990 -5.865 0.549) 6.218 16.152 ( 0.507 12.120 -11.691) 16.847 16.890 ( -8.856 0.590 10.902) 14.058 17.187 ( 3.195 -1.418 -1.612) 3.849 17.400 ( 3.104 4.262 -1.768) 5.561 17.807 ( 1.555 -6.463 5.199) 8.439 18.963 ( 10.221 -12.401 -9.808) 18.827 19.322 ( -1.230 3.434 2.459) 4.399 19.396 ( -6.021 1.407 3.884) 7.302 19.813 ( -3.769 1.265 8.508) 9.391 20.140 ( -17.228 -3.005 16.980) 24.375 20.631 ( 0.817 0.695 2.191) 2.439 21.132 ( -10.222 -9.489 18.574) 23.227 23.070 ( 7.428 0.669 -16.279) 17.906 23.315 ( 2.439 -2.009 -3.607) 4.795 ======================= Grid point 59 (27/100) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 1.286 4.787 7.234) 8.769 1.230 ( -4.471 11.154 4.912) 12.982 1.434 ( 4.395 1.136 2.632) 5.248 1.644 ( -10.706 4.566 12.079) 16.774 1.806 ( -3.836 7.398 5.769) 10.136 1.992 ( 3.335 0.769 -6.343) 7.207 2.069 ( 0.628 4.596 -1.665) 4.929 2.392 ( -0.226 -4.481 5.551) 7.138 2.428 ( 2.558 -1.862 -4.881) 5.817 2.588 ( 1.025 -0.026 3.244) 3.402 2.689 ( -3.378 -2.746 4.957) 6.597 2.781 ( 1.803 -0.759 1.689) 2.584 2.951 ( 2.726 -0.154 -3.831) 4.705 3.035 ( -0.457 -3.665 -0.907) 3.804 3.089 ( -2.407 -2.053 -0.018) 3.164 3.123 ( -3.738 1.760 4.700) 6.258 3.713 ( -0.697 1.212 -4.285) 4.507 3.965 ( -2.484 -0.085 6.764) 7.206 4.098 ( 0.968 1.995 -5.066) 5.530 4.281 ( 2.748 1.442 -9.726) 10.209 4.433 ( -7.960 0.858 11.808) 14.266 4.555 ( 2.135 4.260 -4.760) 6.736 4.657 ( 3.914 -1.165 10.420) 11.192 4.755 ( 5.620 0.139 0.429) 5.638 4.944 ( -3.184 4.174 -5.317) 7.472 5.405 ( 3.432 -0.223 0.044) 3.439 5.545 ( 0.755 -1.676 -4.257) 4.637 5.732 ( -11.501 -5.318 20.532) 24.128 6.042 ( 0.847 3.035 -6.339) 7.079 6.215 ( 0.914 -0.078 -1.504) 1.761 6.776 ( -1.092 -3.898 1.076) 4.188 6.837 ( -1.617 -1.680 -0.597) 2.407 6.901 ( 3.593 -5.855 -3.091) 7.533 6.968 ( 1.231 -2.955 -0.402) 3.226 7.340 ( 1.798 1.902 -6.052) 6.593 7.669 ( -3.492 10.528 4.901) 12.127 7.738 ( -0.287 3.120 1.632) 3.533 8.518 ( 1.758 10.993 -2.343) 11.377 8.899 ( -1.931 2.818 -4.467) 5.624 8.985 ( -2.675 0.434 2.729) 3.846 9.118 ( -2.369 -0.707 6.473) 6.929 9.361 ( -0.962 3.800 -2.700) 4.760 9.596 ( 1.143 0.020 -5.176) 5.301 9.864 ( 2.040 1.199 -7.023) 7.411 10.216 ( -4.377 0.809 -1.079) 4.580 10.485 ( 2.170 -1.942 5.739) 6.435 10.569 ( 6.076 -1.217 -2.097) 6.542 10.791 ( -4.283 -3.360 1.482) 5.642 10.821 ( -4.351 -0.475 2.467) 5.024 11.004 ( -0.273 -3.715 10.681) 11.312 11.278 ( 0.247 2.501 -3.773) 4.534 11.565 ( -0.115 -3.754 -0.129) 3.758 11.762 ( -0.871 3.008 -1.988) 3.710 11.899 ( -0.279 -1.898 -0.881) 2.111 11.954 ( 3.456 1.679 3.966) 5.522 12.351 ( 1.190 -0.463 2.166) 2.515 15.242 ( -4.155 2.569 5.886) 7.649 15.723 ( 1.012 -5.312 1.351) 5.574 16.106 ( 5.179 11.716 -10.394) 16.496 16.824 ( -8.520 0.335 11.077) 13.978 17.213 ( 0.895 -3.709 1.409) 4.068 17.462 ( 3.444 9.445 -1.088) 10.112 17.852 ( -0.890 -8.031 1.676) 8.252 18.999 ( 4.682 -10.769 -12.958) 17.487 19.304 ( -2.375 2.401 0.448) 3.407 19.338 ( -3.504 1.063 5.295) 6.438 19.815 ( -4.077 0.565 7.439) 8.501 19.998 ( -12.958 -1.669 14.023) 19.166 20.662 ( -0.066 0.763 2.911) 3.010 21.117 ( -7.764 -5.807 15.256) 18.076 23.066 ( 8.181 0.631 -16.587) 18.505 23.314 ( 1.182 -2.089 -4.015) 4.678 ======================= Grid point 60 (28/100) ======================= q-point: (-0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -5.904 2.873 -2.757) 7.122 1.123 ( -11.970 11.910 8.782) 19.033 1.437 ( -13.235 10.443 0.959) 16.887 1.606 ( 4.687 8.643 1.491) 9.944 1.702 ( -12.004 3.134 12.961) 17.942 1.995 ( 3.907 -1.506 -8.047) 9.071 2.118 ( 1.270 2.774 6.107) 6.826 2.410 ( -0.502 -0.584 2.662) 2.771 2.459 ( 2.418 -1.851 -2.649) 4.036 2.594 ( -3.614 -1.105 2.857) 4.737 2.636 ( -4.523 -2.012 1.076) 5.066 2.760 ( -4.553 -0.382 1.057) 4.689 2.990 ( 2.354 -0.634 -2.756) 3.679 3.041 ( 3.081 -4.435 -0.552) 5.428 3.084 ( 1.387 -2.459 0.933) 2.973 3.163 ( 2.518 0.641 4.967) 5.606 3.711 ( 3.197 2.469 -1.451) 4.292 3.989 ( 0.434 1.288 3.470) 3.727 4.087 ( 2.504 2.929 -4.612) 6.010 4.244 ( 0.130 2.836 -4.375) 5.215 4.393 ( -5.587 0.546 8.015) 9.785 4.555 ( 1.128 4.712 -2.967) 5.681 4.759 ( -2.803 0.904 5.559) 6.291 4.879 ( -2.755 3.103 6.465) 7.682 4.891 ( 11.278 -3.060 -6.421) 13.334 5.426 ( -2.110 0.066 -0.433) 2.155 5.529 ( 2.892 -0.925 -4.478) 5.410 5.712 ( -10.416 -4.798 20.977) 23.907 6.012 ( 1.409 2.582 -5.092) 5.880 6.230 ( 1.351 0.206 0.014) 1.367 6.756 ( -1.428 -4.023 0.677) 4.322 6.802 ( -0.098 -2.678 -3.159) 4.143 6.940 ( 3.356 -3.428 -4.563) 6.621 7.005 ( 2.053 -2.943 2.038) 4.127 7.331 ( 2.360 1.006 -4.135) 4.866 7.698 ( 2.463 3.059 2.326) 4.564 7.784 ( 0.934 8.070 8.321) 11.629 8.601 ( 7.090 9.983 0.461) 12.253 8.828 ( -1.216 2.362 -4.881) 5.557 8.905 ( -6.103 0.426 -1.381) 6.272 9.150 ( 0.749 0.095 4.944) 5.001 9.323 ( -0.828 6.063 -1.898) 6.407 9.565 ( 1.359 0.205 -6.054) 6.208 9.823 ( 1.048 0.813 -8.650) 8.751 10.126 ( -4.655 2.254 0.292) 5.180 10.541 ( -1.263 -2.648 5.047) 5.838 10.603 ( -3.022 -1.848 -1.593) 3.884 10.739 ( -6.254 -0.270 2.027) 6.580 10.769 ( 3.616 -2.856 -0.262) 4.615 11.059 ( -1.854 -5.611 3.817) 7.035 11.295 ( 3.255 4.029 2.614) 5.802 11.562 ( 0.127 -3.788 -0.085) 3.791 11.730 ( -0.269 3.258 -1.827) 3.745 11.902 ( 2.106 -0.858 -1.918) 2.975 12.133 ( 6.783 1.211 10.792) 12.804 12.394 ( 1.243 1.622 2.813) 3.476 15.218 ( -3.044 3.030 3.702) 5.671 15.784 ( 2.013 -7.065 6.242) 9.640 16.150 ( 7.929 10.845 -7.295) 15.288 16.782 ( -5.289 0.603 8.409) 9.952 17.265 ( 2.332 -3.531 3.302) 5.367 17.496 ( 1.082 9.820 -0.220) 9.882 17.789 ( -6.683 -6.081 0.502) 9.049 18.890 ( -0.251 -8.081 -21.316) 22.797 19.258 ( -2.818 1.272 2.180) 3.783 19.365 ( -0.510 -0.142 7.021) 7.041 19.792 ( -5.171 -0.064 7.167) 8.838 19.914 ( -8.560 -1.197 11.910) 14.716 20.676 ( -1.262 0.126 2.710) 2.992 21.122 ( -7.607 -7.226 17.465) 20.374 23.073 ( 8.595 0.493 -16.246) 18.386 23.289 ( 0.877 -1.796 -5.372) 5.732 ======================= Grid point 61 (29/100) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -10.670 5.093 -6.750) 13.615 0.942 ( -15.991 13.056 6.351) 21.599 1.117 ( -17.934 19.392 4.059) 26.723 1.643 ( -7.781 1.898 16.033) 17.922 1.724 ( 2.139 9.106 4.537) 10.396 1.980 ( 2.466 -1.506 -7.333) 7.881 2.205 ( 0.767 -0.314 7.146) 7.194 2.404 ( -5.932 -0.262 1.850) 6.219 2.456 ( 0.425 4.060 3.287) 5.242 2.544 ( -2.933 0.311 2.559) 3.905 2.580 ( 0.617 -0.560 -3.142) 3.250 2.675 ( -4.317 -0.551 0.069) 4.353 2.988 ( -0.098 -4.279 -0.722) 4.340 3.116 ( 5.103 -1.645 -2.501) 5.916 3.137 ( 2.925 -4.314 0.504) 5.236 3.257 ( 2.505 -2.882 3.443) 5.142 3.792 ( 5.742 3.377 -0.440) 6.676 4.043 ( 3.655 1.461 -1.934) 4.386 4.111 ( 4.774 7.721 -3.894) 9.878 4.208 ( -0.845 5.941 -1.455) 6.175 4.387 ( -1.473 0.258 5.515) 5.714 4.538 ( -1.576 3.848 1.080) 4.296 4.715 ( -0.822 4.330 -4.554) 6.337 4.887 ( -3.504 0.173 5.544) 6.561 5.039 ( 4.743 -3.917 3.703) 7.180 5.343 ( -3.513 1.230 -3.571) 5.158 5.554 ( 2.151 -1.383 -2.151) 3.341 5.727 ( -6.984 -4.223 17.254) 19.087 6.000 ( 1.561 1.715 -3.485) 4.186 6.263 ( 0.362 -0.218 3.681) 3.705 6.740 ( -0.672 -3.540 -0.013) 3.603 6.789 ( 2.229 -4.319 -3.573) 6.033 6.944 ( 2.475 -1.917 -5.919) 6.696 7.060 ( 1.712 -3.474 0.804) 3.956 7.356 ( 2.919 0.840 -1.516) 3.395 7.771 ( 5.233 -1.409 -3.241) 6.314 7.951 ( 3.377 7.326 19.745) 21.329 8.685 ( -2.789 3.394 -5.348) 6.921 8.782 ( 0.979 1.760 -1.260) 2.376 8.815 ( 1.463 5.533 2.895) 6.414 9.224 ( 2.731 0.247 -3.557) 4.491 9.302 ( 0.257 7.248 5.279) 8.970 9.557 ( 4.428 4.634 -6.846) 9.378 9.744 ( -1.041 0.559 -8.006) 8.093 10.054 ( -3.525 3.907 1.068) 5.369 10.471 ( -7.947 -1.716 -0.702) 8.161 10.538 ( -2.191 -1.099 0.618) 2.528 10.646 ( -6.040 -0.767 4.102) 7.342 10.870 ( 5.962 -2.336 -0.361) 6.414 11.015 ( -3.237 -3.999 -1.068) 5.255 11.442 ( 6.408 0.995 6.901) 9.470 11.576 ( 1.211 -3.668 0.631) 3.914 11.716 ( 0.034 2.708 -1.164) 2.948 11.940 ( 3.660 -0.290 -1.709) 4.050 12.348 ( 4.643 5.618 7.992) 10.816 12.486 ( 7.058 5.293 4.680) 9.987 15.199 ( -1.593 2.985 1.753) 3.810 15.931 ( 3.494 -11.927 15.508) 19.874 16.261 ( 8.473 8.603 -2.591) 12.350 16.782 ( -0.443 1.664 3.896) 4.260 17.352 ( 3.270 -1.457 3.686) 5.138 17.520 ( 1.621 9.304 1.705) 9.597 17.640 ( -9.961 -3.824 3.682) 11.287 18.577 ( -8.336 -3.897 -30.706) 32.055 19.248 ( -2.063 0.471 5.142) 5.560 19.428 ( 0.124 -0.994 6.900) 6.973 19.782 ( -4.055 -0.727 11.555) 12.268 19.890 ( -4.979 -1.504 10.979) 12.149 20.664 ( -2.236 -0.720 1.960) 3.059 21.147 ( -11.109 -14.764 25.942) 31.849 23.090 ( 8.445 0.298 -15.354) 17.526 23.256 ( 1.790 -1.301 -6.802) 7.153 ======================= Grid point 62 (30/100) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -7.307 12.850 -0.945) 14.812 0.665 ( -14.088 18.035 2.373) 23.008 0.936 ( -13.994 21.266 18.986) 31.758 1.669 ( -6.180 1.931 16.567) 17.787 1.743 ( -1.764 6.499 -0.338) 6.742 1.989 ( 4.242 2.219 -4.894) 6.846 2.244 ( -2.639 0.428 5.314) 5.949 2.294 ( -5.222 -0.812 0.908) 5.362 2.484 ( -1.740 5.366 3.610) 6.697 2.542 ( 2.263 0.136 -1.202) 2.566 2.589 ( -1.913 0.716 -2.440) 3.182 2.649 ( 2.487 -1.892 3.758) 4.888 2.984 ( 0.125 -5.566 0.440) 5.585 3.168 ( 2.641 -0.176 -2.355) 3.543 3.186 ( 2.431 -3.475 -1.132) 4.389 3.308 ( 0.460 -7.016 1.636) 7.218 3.888 ( 5.683 2.558 -3.703) 7.249 4.063 ( 2.810 1.898 -6.448) 7.285 4.186 ( 4.249 9.672 -3.845) 11.243 4.202 ( 2.959 8.785 -1.016) 9.326 4.408 ( 1.019 1.287 -2.614) 3.086 4.548 ( -0.391 2.983 4.456) 5.377 4.665 ( -1.043 4.095 -1.538) 4.497 4.834 ( -5.003 -0.107 0.923) 5.089 5.128 ( -1.514 -1.340 10.140) 10.339 5.259 ( -1.175 1.437 -4.261) 4.648 5.562 ( 1.040 -1.670 -2.420) 3.119 5.743 ( -5.445 -4.609 10.965) 13.081 6.013 ( 2.562 1.054 -1.936) 3.380 6.314 ( 0.063 -2.719 6.472) 7.020 6.732 ( -0.036 -3.409 -0.192) 3.415 6.819 ( 4.628 -5.724 -4.367) 8.559 6.932 ( 1.468 -1.821 -4.588) 5.149 7.065 ( -1.080 -3.498 -1.403) 3.920 7.400 ( 2.787 1.702 -1.763) 3.712 7.818 ( 3.844 -1.937 -5.883) 7.289 8.254 ( 4.838 -2.573 26.428) 26.990 8.537 ( -6.962 3.387 -2.148) 8.035 8.783 ( 0.735 0.913 0.785) 1.410 8.939 ( 3.608 0.448 4.500) 5.785 9.161 ( -1.327 5.464 -3.949) 6.870 9.439 ( 4.190 2.256 3.738) 6.051 9.596 ( 9.587 12.143 -13.871) 20.779 9.680 ( 0.455 0.105 -0.278) 0.543 10.021 ( -0.674 6.147 1.200) 6.299 10.321 ( -5.737 -0.030 -1.628) 5.964 10.490 ( -2.243 1.039 -1.409) 2.845 10.593 ( -4.770 -2.226 6.713) 8.531 10.933 ( -0.549 -2.756 -4.254) 5.098 10.979 ( 1.140 -2.707 5.605) 6.328 11.583 ( 4.253 -3.685 -1.330) 5.783 11.618 ( 1.221 -3.525 1.944) 4.207 11.720 ( 1.512 1.392 -0.015) 2.055 11.999 ( 4.006 -3.234 -2.313) 5.644 12.440 ( 3.713 12.179 -3.169) 13.121 12.682 ( 8.277 9.239 -8.515) 15.046 15.193 ( -0.308 2.874 1.445) 3.232 16.131 ( -1.719 -21.835 13.121) 25.532 16.403 ( 7.330 4.928 -0.225) 8.836 16.862 ( 6.000 -0.961 0.439) 6.093 17.409 ( -3.600 -3.320 -3.206) 5.853 17.522 ( -6.730 -5.329 9.524) 12.822 17.712 ( 18.322 13.734 13.439) 26.550 18.034 ( -17.928 6.213 -25.276) 31.605 19.263 ( -1.820 1.837 5.772) 6.324 19.486 ( -1.047 -1.437 7.089) 7.308 19.822 ( -5.464 -0.753 12.424) 13.593 20.026 ( 9.342 -4.959 17.707) 20.625 20.627 ( -3.065 -1.591 0.332) 3.469 21.174 ( -22.204 -34.915 48.012) 63.382 23.104 ( 7.553 0.170 -14.660) 16.492 23.241 ( 3.713 -1.068 -7.252) 8.217 ======================= Grid point 63 (31/100) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 2.116 17.598 -7.117) 19.101 0.936 ( -0.898 16.044 5.806) 17.086 1.381 ( -6.221 20.173 14.779) 25.770 1.722 ( -3.962 0.966 9.689) 10.512 1.806 ( 0.235 0.614 0.613) 0.898 2.030 ( 1.586 0.415 -4.839) 5.109 2.245 ( 0.104 0.243 -2.134) 2.150 2.285 ( -1.663 2.560 4.504) 5.441 2.515 ( -1.382 -2.754 2.095) 3.726 2.551 ( -3.923 -0.347 3.453) 5.237 2.591 ( -1.320 5.029 -1.852) 5.520 2.607 ( -0.968 -1.345 -0.007) 1.657 2.876 ( 0.786 -5.804 3.136) 6.644 2.996 ( 1.043 -10.015 -1.020) 10.121 3.213 ( -1.104 -0.230 -1.584) 1.945 3.253 ( 2.301 -0.911 -0.019) 2.475 3.925 ( -0.042 -0.253 -3.314) 3.324 4.038 ( -0.331 -1.195 -5.137) 5.285 4.377 ( -0.808 7.568 -0.874) 7.661 4.450 ( 6.875 6.489 -4.371) 10.416 4.488 ( -2.115 5.800 2.354) 6.607 4.612 ( -0.186 3.414 -1.305) 3.660 4.708 ( -3.166 3.460 -4.314) 6.372 4.745 ( -1.900 0.506 -2.478) 3.163 5.184 ( -1.337 0.613 8.121) 8.253 5.242 ( -2.606 0.824 -0.739) 2.831 5.508 ( 2.024 -2.984 -3.942) 5.342 5.604 ( -3.772 -7.198 8.582) 11.819 6.098 ( 3.378 3.365 -3.137) 5.708 6.278 ( -1.286 -1.412 0.413) 1.955 6.641 ( -0.391 -4.462 1.218) 4.642 6.716 ( 3.084 -6.870 -2.721) 8.007 6.878 ( 0.468 -2.524 -2.168) 3.360 6.921 ( -2.685 -4.551 0.200) 5.288 7.480 ( 2.113 4.092 -6.233) 7.750 7.753 ( 2.085 -3.222 -7.780) 8.675 8.390 ( -8.792 7.869 10.086) 15.522 8.657 ( 4.386 3.211 3.505) 6.468 8.863 ( 2.163 2.097 5.408) 6.191 8.973 ( -1.089 -0.063 4.981) 5.099 9.323 ( 1.940 7.125 -0.080) 7.385 9.473 ( -2.351 4.160 -4.853) 6.811 9.704 ( 4.098 -0.737 1.366) 4.382 9.739 ( 1.647 -1.824 -2.082) 3.221 10.240 ( 3.179 7.830 -2.355) 8.773 10.274 ( 0.841 0.349 -0.785) 1.202 10.467 ( -4.886 1.875 1.915) 5.573 10.585 ( 1.791 1.078 4.245) 4.732 10.858 ( -0.963 -1.872 1.097) 2.374 10.940 ( -1.803 -5.375 5.076) 7.609 11.508 ( 1.120 -3.802 -4.230) 5.797 11.589 ( 1.168 -5.082 2.189) 5.656 11.732 ( 0.216 0.801 -1.233) 1.487 11.875 ( -0.682 -6.031 0.318) 6.077 12.632 ( -1.491 7.618 -9.205) 12.041 12.705 ( -7.245 8.755 -24.089) 26.635 15.299 ( -0.274 4.563 3.718) 5.892 15.706 ( -8.032 -10.873 7.987) 15.702 16.652 ( 0.648 9.082 -5.030) 10.402 16.946 ( 10.360 0.304 -6.939) 12.473 17.141 ( -11.030 -1.933 3.393) 11.701 17.327 ( -4.180 -8.085 3.202) 9.648 17.816 ( -2.905 5.879 -9.195) 11.293 18.257 ( 17.419 -6.328 -5.679) 19.383 19.365 ( -2.056 3.720 8.293) 9.318 19.485 ( -3.488 -1.078 8.680) 9.417 19.829 ( -5.391 0.946 13.315) 14.396 20.179 ( -1.874 -14.931 28.501) 32.230 20.493 ( -5.349 1.100 7.703) 9.442 20.687 ( -9.176 -7.312 21.513) 24.505 23.110 ( 6.413 0.633 -13.913) 15.333 23.218 ( 5.009 -2.358 -7.917) 9.661 ======================= Grid point 64 (32/100) ======================= q-point: ( 0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 4.595 15.160 -2.329) 16.011 1.125 ( 10.230 7.625 5.054) 13.723 1.423 ( -1.572 16.736 9.941) 19.529 1.740 ( -4.715 0.782 12.303) 13.199 1.817 ( -0.202 3.025 2.219) 3.757 2.019 ( 0.696 0.728 -1.306) 1.649 2.232 ( -0.243 0.740 -0.085) 0.783 2.304 ( 1.533 3.224 -2.409) 4.307 2.476 ( -3.438 0.528 -3.347) 4.827 2.528 ( 0.859 -0.716 2.557) 2.790 2.558 ( -3.120 -2.016 6.551) 7.531 2.614 ( 0.946 1.779 0.271) 2.033 2.900 ( -0.773 -6.622 1.647) 6.868 3.016 ( 1.768 -7.482 -1.373) 7.810 3.161 ( -2.508 0.479 -1.755) 3.098 3.264 ( -1.728 -0.497 1.153) 2.136 3.876 ( -1.555 -1.042 -3.588) 4.047 3.975 ( -1.462 -0.908 -4.272) 4.605 4.321 ( -4.387 6.287 -0.329) 7.673 4.475 ( 0.819 5.116 -3.245) 6.114 4.500 ( -0.375 4.160 1.659) 4.494 4.543 ( -6.269 2.609 1.669) 6.992 4.659 ( 2.319 4.186 -2.793) 5.541 4.700 ( 0.950 2.859 -5.382) 6.167 5.180 ( -3.784 0.624 0.690) 3.896 5.244 ( 2.635 0.148 2.528) 3.655 5.498 ( 0.045 -2.912 -1.678) 3.362 5.627 ( -3.166 -6.440 9.130) 11.612 6.133 ( 3.681 2.937 -4.300) 6.377 6.245 ( -1.948 -0.938 -0.509) 2.221 6.649 ( 0.045 -4.209 1.568) 4.492 6.754 ( 2.870 -6.201 -1.624) 7.023 6.848 ( -1.223 -4.551 -2.801) 5.482 6.882 ( -1.260 -2.901 -0.170) 3.167 7.452 ( 0.728 3.286 -5.173) 6.172 7.706 ( 0.713 -3.280 -7.428) 8.151 8.280 ( -9.628 14.429 7.025) 18.715 8.765 ( 1.809 -0.652 2.764) 3.367 8.960 ( 1.224 3.560 4.859) 6.146 9.002 ( -0.254 3.862 7.815) 8.721 9.287 ( -6.818 3.831 -4.359) 8.953 9.411 ( 2.803 7.873 -1.547) 8.499 9.712 ( -2.128 -1.718 -2.104) 3.451 9.814 ( 5.132 -2.132 0.859) 5.623 10.276 ( 3.916 4.291 -1.790) 6.079 10.311 ( 2.003 0.184 -1.455) 2.483 10.423 ( -1.647 1.134 2.760) 3.408 10.669 ( 2.935 -0.527 3.819) 4.845 10.853 ( -1.549 -1.283 2.614) 3.298 10.924 ( -5.216 -5.871 5.571) 9.628 11.476 ( 0.397 -1.347 -5.230) 5.415 11.573 ( -4.872 -3.515 1.232) 6.133 11.740 ( 0.675 1.981 1.771) 2.742 11.863 ( -0.847 -4.473 0.396) 4.570 12.320 ( -9.374 10.514 -16.357) 21.587 12.465 ( -5.051 3.981 -11.004) 12.746 15.324 ( -1.702 4.062 5.285) 6.880 15.636 ( -4.859 -6.555 4.629) 9.381 16.551 ( -3.070 12.045 -8.221) 14.903 16.979 ( -6.524 0.095 3.585) 7.444 17.104 ( 5.128 -1.791 -1.894) 5.753 17.315 ( 3.000 -5.489 1.549) 6.444 17.738 ( 0.411 4.194 -5.112) 6.625 18.498 ( 15.156 -14.583 -9.562) 23.104 19.390 ( -2.820 3.179 6.752) 7.978 19.474 ( -5.255 0.100 7.147) 8.872 19.845 ( -5.426 2.216 12.356) 13.676 20.178 ( -16.991 -9.076 21.924) 29.185 20.588 ( 3.173 0.668 4.380) 5.450 20.796 ( -2.651 -9.808 24.016) 26.077 23.100 ( 6.434 1.050 -14.393) 15.800 23.242 ( 4.506 -2.858 -6.879) 8.706 ======================= Grid point 65 (33/100) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 10.378 11.928 2.207) 15.964 1.318 ( 7.952 2.631 -0.514) 8.392 1.486 ( 0.316 13.101 5.469) 14.200 1.748 ( -8.404 0.182 15.112) 17.292 1.885 ( 4.839 5.429 4.310) 8.454 2.036 ( 2.218 2.555 -2.243) 4.060 2.217 ( -2.493 2.035 0.184) 3.223 2.275 ( -0.206 1.256 -3.525) 3.748 2.409 ( -1.081 -2.191 -2.313) 3.365 2.556 ( -0.776 -6.390 2.732) 6.993 2.578 ( -0.730 1.150 4.323) 4.533 2.690 ( 4.295 3.032 5.832) 7.852 2.883 ( -0.506 -6.779 -1.798) 7.032 3.026 ( 0.965 -2.040 -1.858) 2.924 3.102 ( -2.556 -0.234 -0.677) 2.654 3.215 ( -4.770 0.212 2.137) 5.231 3.802 ( -2.226 -0.159 -4.497) 5.020 3.926 ( -1.729 -2.111 1.487) 3.107 4.226 ( -4.240 4.594 -1.460) 6.420 4.405 ( -0.897 3.565 -7.379) 8.244 4.484 ( -4.347 1.117 6.034) 7.520 4.541 ( -0.397 1.410 7.870) 8.005 4.655 ( 1.281 4.073 -4.701) 6.351 4.720 ( 5.115 4.461 -4.313) 8.042 5.116 ( -3.556 2.863 0.399) 4.583 5.321 ( 3.284 -1.070 1.541) 3.783 5.491 ( 0.172 -2.864 -0.296) 2.884 5.634 ( -6.133 -5.779 11.377) 14.158 6.145 ( 2.623 3.111 -6.588) 7.743 6.213 ( -0.143 -0.193 -1.239) 1.262 6.677 ( 0.875 -3.422 2.480) 4.315 6.773 ( 1.511 -4.471 -4.696) 6.658 6.818 ( -1.462 -3.761 2.571) 4.785 6.859 ( 0.367 -4.744 -2.082) 5.194 7.420 ( 0.897 2.819 -5.161) 5.949 7.657 ( 0.548 -3.953 -5.355) 6.678 8.177 ( -8.347 19.636 7.497) 22.616 8.764 ( -0.469 4.054 -2.765) 4.929 8.998 ( -0.914 3.339 3.788) 5.132 9.064 ( -2.976 5.585 1.522) 6.509 9.124 ( -3.995 1.580 1.726) 4.630 9.464 ( 2.520 6.430 -0.029) 6.906 9.635 ( -2.809 -2.008 -3.585) 4.977 9.880 ( 2.669 -1.254 -2.750) 4.032 10.290 ( -1.234 -0.293 -1.814) 2.214 10.373 ( 5.456 2.780 0.712) 6.165 10.444 ( 1.479 -2.574 1.127) 3.175 10.733 ( 0.065 -4.859 0.405) 4.877 10.841 ( -3.017 -1.387 4.285) 5.421 10.878 ( -4.292 -3.117 8.069) 9.656 11.416 ( -2.052 3.416 -4.734) 6.188 11.501 ( -1.884 -3.321 0.472) 3.848 11.774 ( 0.322 0.851 2.752) 2.898 11.855 ( -0.442 -1.993 1.007) 2.276 12.089 ( -4.675 5.252 -8.060) 10.696 12.317 ( -1.457 -1.040 -4.765) 5.090 15.328 ( -3.235 4.010 6.005) 7.912 15.613 ( -1.384 -4.572 2.658) 5.467 16.436 ( 0.192 14.201 -9.924) 17.326 16.896 ( -7.076 -0.229 6.183) 9.400 17.133 ( 0.142 -2.697 0.670) 2.783 17.475 ( 9.922 -3.774 1.544) 10.727 17.709 ( 1.299 3.567 -5.507) 6.688 18.653 ( 10.901 -16.480 -9.976) 22.135 19.376 ( -4.515 1.969 5.399) 7.309 19.425 ( -5.288 1.016 4.336) 6.914 19.849 ( -5.348 2.035 10.419) 11.887 20.056 ( -14.619 -4.495 17.340) 23.122 20.656 ( -0.002 1.766 5.473) 5.751 20.931 ( -3.654 -8.425 16.783) 19.131 23.090 ( 6.875 1.346 -14.926) 16.488 23.257 ( 3.505 -3.264 -6.416) 8.006 ======================= Grid point 66 (34/100) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 4.858 10.193 -3.801) 11.914 1.421 ( 1.821 6.788 1.040) 7.104 1.560 ( 3.541 8.010 5.512) 10.348 1.719 ( -9.194 3.324 16.713) 19.362 1.966 ( -0.901 4.620 -4.338) 6.401 2.040 ( 2.367 5.566 -4.470) 7.521 2.175 ( -0.907 4.709 1.141) 4.929 2.274 ( -1.867 -5.897 6.575) 9.027 2.374 ( 2.418 -3.112 -5.422) 6.703 2.565 ( -3.100 -8.391 6.513) 11.065 2.601 ( -0.766 1.375 2.955) 3.348 2.803 ( 0.711 2.821 3.855) 4.829 2.875 ( 3.053 -5.794 -3.442) 7.399 3.033 ( -0.829 2.394 -2.121) 3.304 3.050 ( -0.141 -1.412 0.029) 1.419 3.144 ( -4.255 -0.009 3.731) 5.659 3.740 ( 0.142 1.386 -3.274) 3.558 3.936 ( -0.593 -2.725 4.358) 5.173 4.161 ( -0.687 4.123 -1.048) 4.310 4.349 ( -0.002 4.114 -3.164) 5.190 4.452 ( -4.366 0.723 4.518) 6.324 4.614 ( 1.686 -1.481 2.263) 3.187 4.665 ( 1.431 4.347 4.107) 6.149 4.781 ( 5.836 1.884 -5.283) 8.095 5.052 ( -4.254 5.776 1.621) 7.354 5.388 ( 2.497 -1.825 1.008) 3.253 5.494 ( 0.574 -2.672 -0.885) 2.873 5.610 ( -8.736 -5.534 14.365) 17.700 6.117 ( 1.337 3.598 -6.857) 7.858 6.216 ( 2.091 0.066 -2.840) 3.527 6.695 ( -1.054 -3.152 0.385) 3.346 6.772 ( 1.467 -3.989 -4.348) 6.080 6.796 ( -0.114 -3.494 1.693) 3.884 6.886 ( 1.615 -4.485 1.876) 5.123 7.395 ( 1.795 3.038 -5.576) 6.599 7.637 ( 1.903 -4.209 -3.727) 5.935 8.110 ( -5.882 21.165 7.869) 23.334 8.754 ( 3.302 8.276 -3.866) 9.713 8.933 ( -6.157 0.048 0.358) 6.168 9.004 ( -1.453 3.834 -1.419) 4.339 9.143 ( -0.611 2.478 4.931) 5.552 9.493 ( 0.307 7.837 0.432) 7.855 9.558 ( -0.522 -3.876 -5.511) 6.757 9.875 ( 1.204 -0.641 -5.641) 5.803 10.240 ( -1.930 1.596 -1.793) 3.080 10.450 ( -0.136 -1.559 4.380) 4.651 10.519 ( 6.882 -3.011 -2.119) 7.805 10.675 ( -4.429 -6.739 -0.211) 8.067 10.813 ( -4.424 -0.113 4.037) 5.990 10.918 ( -0.706 -3.918 7.354) 8.362 11.350 ( -0.693 3.472 -2.648) 4.421 11.491 ( 0.035 -3.168 -0.356) 3.188 11.794 ( 0.752 0.079 -0.760) 1.072 11.847 ( -1.861 -1.737 0.361) 2.571 12.030 ( 3.294 4.594 1.968) 5.986 12.319 ( 1.869 -2.740 2.475) 4.138 15.318 ( -3.329 4.445 5.543) 7.846 15.622 ( -0.411 -4.458 2.724) 5.240 16.384 ( 3.873 14.044 -9.731) 17.519 16.828 ( -5.521 -0.109 4.968) 7.428 17.153 ( 0.330 -1.576 3.078) 3.474 17.622 ( 1.694 -12.842 0.050) 12.953 17.706 ( 4.974 13.196 -3.147) 14.449 18.719 ( 6.181 -15.425 -11.196) 20.038 19.335 ( -4.160 0.947 3.902) 5.782 19.363 ( -4.479 0.822 3.369) 5.664 19.833 ( -5.521 1.128 8.324) 10.052 19.953 ( -11.384 -2.427 13.538) 17.854 20.691 ( -1.696 2.010 5.356) 5.967 20.973 ( -6.156 -7.010 13.502) 16.412 23.086 ( 7.388 1.360 -15.210) 16.964 23.255 ( 2.707 -3.301 -6.770) 8.003 ======================= Grid point 67 (35/100) ======================= q-point: (-0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -0.456 10.894 -10.350) 15.034 1.393 ( -9.246 12.789 9.315) 18.325 1.624 ( -5.227 4.372 8.523) 10.912 1.791 ( -0.625 8.623 12.677) 15.344 1.841 ( -1.365 6.214 -9.807) 11.690 1.963 ( -5.472 1.953 -3.309) 6.686 2.177 ( -0.626 2.426 3.449) 4.262 2.353 ( 3.378 -4.507 4.652) 7.305 2.416 ( 4.498 -2.051 -2.461) 5.522 2.548 ( -3.771 -5.965 4.971) 8.632 2.599 ( -1.629 0.142 2.257) 2.787 2.769 ( -7.036 2.722 3.541) 8.334 2.913 ( 2.404 -6.471 -2.938) 7.502 2.962 ( -2.107 -1.677 -0.523) 2.743 3.064 ( 1.822 0.299 -2.529) 3.131 3.178 ( 2.496 -0.300 3.307) 4.154 3.761 ( 4.053 2.622 -0.831) 4.898 3.977 ( 1.028 -1.478 4.038) 4.421 4.191 ( 3.510 5.470 0.632) 6.530 4.340 ( 0.733 5.325 -0.665) 5.416 4.410 ( -2.484 0.854 1.418) 2.985 4.635 ( 1.389 1.838 -2.549) 3.436 4.765 ( 0.689 0.213 8.864) 8.893 4.836 ( 5.852 -1.608 -6.252) 8.713 4.996 ( -4.980 7.558 6.220) 10.982 5.421 ( 0.066 -0.747 -0.589) 0.954 5.496 ( 1.656 -2.166 -2.770) 3.887 5.585 ( -8.755 -6.611 17.238) 20.433 6.082 ( 1.628 3.728 -6.425) 7.605 6.232 ( 2.253 -0.172 -2.546) 3.404 6.669 ( -1.759 -3.604 0.674) 4.066 6.727 ( 0.004 -4.065 -4.927) 6.388 6.853 ( 2.360 -3.670 1.376) 4.575 6.931 ( 0.921 -3.708 2.306) 4.463 7.392 ( 3.187 3.942 -4.864) 7.026 7.662 ( 4.227 -3.642 -3.588) 6.634 8.113 ( -1.935 18.951 8.896) 21.024 8.800 ( 2.621 3.121 -3.552) 5.406 8.844 ( -2.044 3.209 0.178) 3.809 8.941 ( -2.565 4.138 -2.805) 5.619 9.192 ( 1.521 2.836 3.869) 5.033 9.486 ( -1.046 8.583 0.091) 8.647 9.529 ( 3.292 -4.196 -5.903) 7.955 9.825 ( -0.339 -0.880 -7.048) 7.111 10.197 ( -1.111 4.280 -1.210) 4.585 10.474 ( -1.890 -3.474 4.879) 6.281 10.555 ( -3.182 -2.439 -1.533) 4.293 10.658 ( 4.238 -5.724 -0.712) 7.157 10.755 ( -4.226 0.795 2.893) 5.182 10.951 ( -1.851 -4.781 4.655) 6.925 11.353 ( 2.652 1.611 -0.731) 3.188 11.489 ( 0.204 -3.124 -0.469) 3.166 11.781 ( -0.324 1.506 -1.988) 2.515 11.838 ( 1.103 -3.807 -0.333) 3.978 12.218 ( 9.772 5.461 9.782) 14.866 12.414 ( 4.611 0.002 4.761) 6.628 15.305 ( -2.920 4.992 4.278) 7.194 15.647 ( -0.664 -5.841 5.316) 7.926 16.403 ( 7.008 12.442 -8.734) 16.739 16.785 ( -2.318 -0.388 2.238) 3.245 17.200 ( 0.533 -2.000 5.124) 5.526 17.583 ( -3.673 -9.292 -0.161) 9.993 17.778 ( 2.858 12.455 -1.202) 12.835 18.667 ( 1.243 -12.577 -16.261) 20.595 19.281 ( -3.805 0.998 2.641) 4.738 19.357 ( -1.667 -0.748 6.801) 7.043 19.796 ( -5.805 0.483 7.405) 9.422 19.881 ( -8.342 -1.835 11.393) 14.239 20.688 ( -3.368 1.169 4.562) 5.790 20.954 ( -9.047 -7.771 13.425) 17.957 23.090 ( 7.709 1.129 -15.020) 16.920 23.237 ( 2.563 -2.915 -7.677) 8.603 ======================= Grid point 68 (36/100) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -2.276 15.335 -11.018) 19.019 1.262 ( -12.345 15.485 6.737) 20.918 1.531 ( -12.624 17.767 6.972) 22.883 1.690 ( -6.919 2.775 10.685) 13.029 1.855 ( -2.609 -2.037 -2.603) 4.211 1.958 ( 7.118 3.401 -2.039) 8.148 2.209 ( 0.541 0.410 2.797) 2.878 2.382 ( -4.922 -1.630 3.910) 6.494 2.486 ( 3.234 -1.392 1.634) 3.882 2.565 ( 2.419 -1.195 0.097) 2.700 2.583 ( -1.853 -1.031 2.082) 2.972 2.669 ( -6.993 4.790 6.887) 10.921 2.867 ( -3.059 -6.725 -0.476) 7.403 2.986 ( 3.049 -6.296 -2.052) 7.290 3.100 ( 5.167 -0.694 -3.657) 6.369 3.231 ( 0.619 -1.612 1.282) 2.151 3.855 ( 5.263 3.090 0.218) 6.107 4.039 ( 1.747 -1.045 2.454) 3.189 4.274 ( 6.062 6.125 -3.566) 9.326 4.346 ( -1.031 5.170 2.415) 5.799 4.428 ( 4.612 3.892 -0.663) 6.071 4.619 ( -0.804 3.256 -1.888) 3.848 4.791 ( 0.778 1.943 -4.358) 4.834 4.883 ( -0.646 -1.681 1.550) 2.376 5.016 ( -1.824 4.150 13.612) 14.347 5.374 ( -2.655 1.582 -2.737) 4.129 5.504 ( 0.990 -3.221 -1.620) 3.739 5.600 ( -5.508 -7.510 14.045) 16.852 6.063 ( 2.235 3.840 -5.522) 7.087 6.256 ( 1.751 -0.683 -0.525) 1.951 6.647 ( -1.364 -4.295 1.041) 4.625 6.696 ( 1.262 -4.322 -4.373) 6.277 6.888 ( 1.193 -2.827 -1.080) 3.253 6.958 ( -0.189 -4.693 2.141) 5.162 7.428 ( 4.822 4.798 -4.217) 8.004 7.719 ( 5.314 -3.476 -4.631) 7.859 8.196 ( 0.776 14.386 11.437) 18.395 8.732 ( -3.529 -0.223 -2.769) 4.491 8.841 ( -1.331 3.708 -1.856) 4.355 8.914 ( 1.057 4.609 0.880) 4.810 9.256 ( 3.452 2.379 -0.937) 4.296 9.471 ( -0.399 7.733 0.963) 7.803 9.584 ( 6.851 -1.972 -3.718) 8.041 9.742 ( -1.627 -0.757 -6.045) 6.306 10.180 ( 0.429 7.225 -0.963) 7.301 10.427 ( -5.925 -2.215 0.980) 6.401 10.513 ( -1.145 -0.914 2.708) 3.079 10.640 ( -4.772 0.277 0.980) 4.880 10.795 ( 5.089 -4.046 -0.440) 6.517 10.937 ( -3.214 -3.615 3.538) 5.992 11.422 ( 4.655 -2.253 -0.500) 5.195 11.496 ( 1.092 -3.733 -0.065) 3.889 11.761 ( -0.230 1.362 -1.536) 2.066 11.861 ( 1.456 -4.822 -0.463) 5.058 12.524 ( 10.638 7.752 6.381) 14.628 12.584 ( 11.266 3.881 4.543) 12.752 15.287 ( -2.258 5.172 2.766) 6.285 15.699 ( -1.497 -9.290 10.125) 13.823 16.482 ( 9.279 10.951 -7.758) 16.316 16.789 ( 1.843 -0.665 -0.267) 1.977 17.262 ( 0.334 -4.371 5.969) 7.405 17.495 ( -7.744 -7.615 4.415) 11.724 17.810 ( 3.625 13.252 -2.222) 13.917 18.458 ( -4.533 -7.196 -22.460) 24.016 19.268 ( -2.259 1.506 7.252) 7.744 19.401 ( -0.937 -1.526 7.443) 7.655 19.771 ( -4.801 -0.173 10.330) 11.392 19.849 ( -5.984 -2.198 11.401) 13.062 20.652 ( -4.347 -0.220 3.612) 5.656 20.874 ( -13.966 -9.931 16.135) 23.538 23.100 ( 7.652 0.764 -14.396) 16.321 23.215 ( 3.177 -2.362 -8.568) 9.439 ======================= Grid point 69 (37/100) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.042 18.869 -7.663) 20.365 1.068 ( -11.185 18.492 1.019) 21.635 1.400 ( -11.160 20.965 15.505) 28.363 1.703 ( -3.854 0.972 10.830) 11.537 1.807 ( 0.078 -1.520 -2.523) 2.946 2.028 ( 4.113 1.571 -5.404) 6.970 2.240 ( 0.821 -0.688 1.014) 1.475 2.314 ( -5.637 1.611 4.905) 7.644 2.516 ( -0.735 -2.819 1.911) 3.484 2.579 ( -1.742 -0.600 3.079) 3.588 2.602 ( 1.207 0.000 -1.867) 2.223 2.636 ( -3.383 5.497 5.293) 8.347 2.838 ( 0.186 -7.183 1.121) 7.272 3.000 ( 0.352 -8.750 -1.605) 8.903 3.182 ( 6.103 -0.526 -2.914) 6.783 3.235 ( -0.629 -1.846 0.408) 1.992 3.927 ( 2.652 1.543 -1.756) 3.535 4.068 ( 0.487 -1.465 -1.144) 1.921 4.352 ( 6.962 5.558 -4.667) 10.057 4.369 ( 1.659 7.607 0.173) 7.788 4.503 ( 2.267 5.893 -2.401) 6.755 4.600 ( 0.884 2.379 -0.015) 2.538 4.759 ( 0.415 3.592 -4.046) 5.426 4.834 ( -4.976 0.100 0.575) 5.010 5.120 ( -1.967 1.202 13.936) 14.125 5.299 ( -2.227 2.171 -2.711) 4.126 5.503 ( 1.354 -3.785 -2.810) 4.904 5.611 ( -4.853 -7.418 9.271) 12.827 6.069 ( 2.975 3.769 -3.855) 6.158 6.280 ( 0.378 -1.061 0.912) 1.449 6.639 ( -0.671 -4.777 1.292) 4.994 6.693 ( 2.453 -5.344 -3.848) 7.027 6.887 ( 0.439 -2.261 -1.852) 2.955 6.958 ( -1.497 -5.274 0.955) 5.565 7.475 ( 4.431 4.660 -5.683) 8.581 7.760 ( 4.131 -3.457 -6.344) 8.322 8.339 ( 0.431 8.364 15.229) 17.379 8.645 ( -2.802 4.221 -2.288) 5.559 8.814 ( -0.256 2.084 0.957) 2.307 8.941 ( -0.060 -0.264 3.358) 3.369 9.295 ( 2.242 6.523 -1.890) 7.152 9.495 ( 1.787 3.160 -0.447) 3.658 9.676 ( 0.779 -0.031 -4.436) 4.504 9.686 ( 4.704 -0.938 -0.549) 4.828 10.196 ( 2.494 8.649 -1.449) 9.118 10.323 ( -4.463 0.440 -0.742) 4.546 10.532 ( -0.152 0.503 4.004) 4.038 10.553 ( -5.376 1.472 1.130) 5.687 10.861 ( 1.958 -4.252 -1.530) 4.925 10.919 ( -2.222 -2.988 5.440) 6.592 11.493 ( 3.992 -4.830 -2.787) 6.858 11.534 ( 2.160 -4.373 1.412) 5.078 11.743 ( -0.002 0.806 -1.682) 1.866 11.877 ( 0.467 -5.786 -0.215) 5.809 12.661 ( 4.422 8.440 -3.066) 10.009 12.840 ( 10.846 4.611 -9.237) 14.974 15.279 ( -0.973 5.028 2.570) 5.730 15.748 ( -5.069 -13.232 11.564) 18.290 16.597 ( 9.374 9.943 -6.722) 15.229 16.845 ( 5.202 -0.746 -2.360) 5.761 17.287 ( -4.089 -6.196 3.003) 8.008 17.386 ( -8.473 -6.772 7.154) 12.993 17.912 ( 8.082 6.602 -3.394) 10.973 18.142 ( -4.187 2.347 -18.352) 18.970 19.316 ( -1.645 2.946 9.831) 10.394 19.451 ( -1.609 -1.692 8.486) 8.801 19.804 ( -4.727 -0.750 13.461) 14.287 19.911 ( 0.044 -4.957 19.958) 20.565 20.589 ( -6.248 -1.549 3.368) 7.265 20.741 ( -17.022 -9.947 21.213) 28.960 23.110 ( 7.056 0.497 -13.839) 15.542 23.205 ( 4.330 -2.094 -8.742) 9.978 ======================= Grid point 70 (38/100) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 3.139 14.135 -11.373) 18.412 1.219 ( -2.376 7.789 -3.447) 8.842 1.626 ( -3.324 -0.614 5.805) 6.717 1.662 ( -4.877 -4.993 8.281) 10.830 1.865 ( 0.582 9.444 4.150) 10.332 2.020 ( 0.559 -2.955 -0.612) 3.069 2.265 ( 0.524 3.095 0.880) 3.260 2.332 ( -2.128 0.165 6.755) 7.084 2.447 ( -0.588 -2.012 0.498) 2.154 2.482 ( -3.443 -5.778 0.289) 6.732 2.633 ( -1.069 3.873 3.767) 5.507 2.681 ( 0.747 1.698 0.948) 2.083 2.800 ( -2.177 -1.375 1.183) 2.834 2.837 ( 0.184 -4.515 -1.205) 4.677 3.203 ( 0.639 0.096 -1.199) 1.363 3.226 ( 2.436 -1.681 -2.010) 3.578 3.937 ( -1.538 1.556 -1.899) 2.898 3.987 ( -1.600 -2.896 -1.852) 3.792 4.502 ( -0.593 3.927 -0.880) 4.067 4.538 ( 1.080 0.775 0.130) 1.336 4.606 ( 0.765 5.649 -2.997) 6.440 4.680 ( 4.751 0.250 -4.381) 6.468 4.730 ( -5.170 1.722 -1.800) 5.739 4.769 ( -0.331 -0.008 -4.537) 4.549 5.213 ( -3.811 2.172 9.575) 10.532 5.251 ( -5.013 -0.482 3.098) 5.913 5.447 ( 2.864 -2.052 -2.611) 4.386 5.469 ( -0.923 -4.454 3.868) 5.970 6.180 ( 3.268 4.023 -4.317) 6.745 6.249 ( 1.290 -2.119 -3.306) 4.133 6.572 ( -0.558 -1.264 2.185) 2.585 6.602 ( 0.062 -3.739 1.115) 3.903 6.834 ( -0.411 -0.990 -2.325) 2.560 6.848 ( -1.123 -2.209 -0.511) 2.530 7.575 ( 2.168 4.680 -7.481) 9.086 7.672 ( 2.193 -4.341 -7.813) 9.203 8.562 ( -3.222 7.286 6.546) 10.311 8.668 ( 0.122 -2.384 3.167) 3.966 8.913 ( 1.928 2.506 6.658) 7.371 8.958 ( 1.178 -1.491 6.773) 7.034 9.471 ( 1.224 6.511 -2.143) 6.963 9.547 ( 1.852 1.175 -4.337) 4.860 9.678 ( -0.105 -2.558 1.072) 2.776 9.682 ( 1.542 -1.442 1.710) 2.717 10.297 ( -0.597 1.832 -0.485) 1.987 10.331 ( 0.357 -0.234 -1.618) 1.673 10.551 ( -1.823 7.375 1.732) 7.792 10.654 ( 2.055 2.339 -1.703) 3.549 10.783 ( -1.456 -3.446 4.141) 5.580 10.837 ( -2.425 -4.664 4.998) 7.253 11.441 ( 1.243 -1.275 -1.097) 2.092 11.479 ( 0.413 -4.391 1.781) 4.756 11.752 ( 0.853 1.180 -0.862) 1.692 11.788 ( 0.256 -2.532 -0.070) 2.546 12.758 ( -2.924 4.205 -12.176) 13.210 12.799 ( -4.321 0.754 -17.250) 17.799 15.404 ( -1.543 5.321 4.671) 7.247 15.527 ( -3.651 -6.652 6.102) 9.737 16.820 ( 1.966 6.367 -3.175) 7.381 16.919 ( 6.051 -2.984 -2.917) 7.350 17.117 ( -7.325 0.806 4.159) 8.462 17.185 ( -4.657 -5.171 3.766) 7.912 17.953 ( 3.585 7.052 -16.069) 17.911 18.109 ( 9.600 -7.471 -13.481) 18.158 19.428 ( -3.388 2.197 10.589) 11.333 19.462 ( -3.723 -1.169 10.782) 11.466 19.865 ( -5.356 2.704 17.961) 18.936 19.958 ( -5.511 -6.631 24.475) 25.950 20.531 ( -2.786 2.322 8.102) 8.877 20.590 ( -3.604 -3.312 10.334) 11.434 23.131 ( 6.056 1.398 -12.285) 13.768 23.169 ( 5.560 -2.172 -10.183) 11.804 ======================= Grid point 71 (39/100) ======================= q-point: ( 0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 6.238 14.930 -10.149) 19.100 1.253 ( 8.281 1.436 -6.214) 10.452 1.622 ( -1.729 0.950 3.879) 4.352 1.664 ( -3.717 -4.740 10.312) 11.943 1.919 ( 0.608 7.883 4.956) 9.331 2.036 ( 0.706 -1.098 1.927) 2.327 2.270 ( -1.263 3.567 2.020) 4.289 2.357 ( -0.865 0.080 3.708) 3.809 2.431 ( -2.363 -3.748 0.693) 4.484 2.432 ( -1.601 -3.628 -2.265) 4.567 2.631 ( -0.293 5.949 0.765) 6.005 2.703 ( 0.799 4.282 2.554) 5.049 2.775 ( -1.222 -4.009 0.321) 4.203 2.864 ( 2.555 -6.955 0.776) 7.450 3.183 ( -1.752 1.709 -0.367) 2.474 3.230 ( -1.114 -2.381 0.390) 2.657 3.880 ( -1.981 1.416 -3.052) 3.904 3.929 ( -1.949 -2.811 -3.351) 4.789 4.436 ( -5.934 4.559 0.875) 7.534 4.505 ( -5.318 -1.758 2.523) 6.143 4.572 ( -1.307 3.222 -2.546) 4.309 4.600 ( -3.415 0.897 -4.075) 5.392 4.741 ( 4.241 2.678 -5.371) 7.349 4.753 ( 3.646 1.492 -5.119) 6.459 5.202 ( -3.461 1.666 3.758) 5.373 5.236 ( -1.446 -1.069 6.044) 6.306 5.459 ( 0.550 -0.222 -0.152) 0.612 5.506 ( -0.504 -4.505 4.953) 6.714 6.197 ( 2.780 2.636 -4.693) 6.058 6.232 ( 0.440 -0.764 -3.485) 3.595 6.593 ( 0.619 -0.587 2.619) 2.754 6.636 ( 2.061 -4.411 1.883) 5.220 6.792 ( -1.295 -0.440 -2.842) 3.154 6.820 ( -1.061 -2.604 -1.550) 3.210 7.533 ( 0.622 4.221 -6.705) 7.947 7.625 ( 0.559 -4.269 -7.504) 8.651 8.549 ( -3.749 10.226 6.037) 12.453 8.706 ( -0.365 -4.905 4.449) 6.632 9.028 ( 2.244 2.738 7.198) 8.022 9.056 ( 1.634 0.583 7.454) 7.653 9.411 ( -4.798 7.234 -4.108) 9.604 9.528 ( 0.472 -0.462 -4.351) 4.401 9.669 ( -1.346 1.022 1.465) 2.237 9.750 ( 3.385 -4.056 1.478) 5.486 10.299 ( 1.315 1.046 -1.115) 2.016 10.332 ( 1.270 -1.287 -1.236) 2.190 10.520 ( -2.001 7.859 -0.421) 8.121 10.661 ( 0.460 -2.929 -3.190) 4.355 10.794 ( -2.502 -1.312 6.834) 7.395 10.837 ( -2.817 -3.051 6.007) 7.303 11.441 ( 0.041 -0.569 -0.846) 1.020 11.480 ( -2.198 -3.953 2.221) 5.039 11.776 ( 1.418 1.287 0.941) 2.133 11.803 ( 0.883 -1.612 0.825) 2.015 12.478 ( -10.170 4.372 -17.198) 20.453 12.515 ( -8.222 0.563 -14.482) 16.662 15.417 ( -2.004 4.617 5.187) 7.227 15.517 ( -2.739 -4.960 5.122) 7.638 16.789 ( -1.334 9.793 -3.904) 10.627 16.938 ( -3.570 -4.259 1.120) 5.668 17.078 ( 0.892 1.293 0.960) 1.841 17.177 ( 2.152 -6.982 1.485) 7.456 17.914 ( 6.531 11.521 -13.536) 18.937 18.190 ( 11.262 -14.206 -12.570) 22.060 19.442 ( -4.729 1.841 8.895) 10.241 19.469 ( -5.192 -0.715 8.955) 10.376 19.906 ( -7.191 3.644 16.344) 18.224 20.009 ( -10.856 -6.390 20.853) 24.362 20.615 ( 1.443 1.874 8.896) 9.205 20.670 ( 0.022 -3.609 13.761) 14.227 23.131 ( 5.972 1.901 -12.392) 13.887 23.180 ( 5.299 -2.745 -9.773) 11.451 ======================= Grid point 72 (40/100) ======================= q-point: ( 0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 11.098 12.947 -6.335) 18.191 1.364 ( 9.890 -1.423 -7.915) 12.747 1.635 ( -0.562 2.395 3.913) 4.623 1.718 ( -1.484 -3.793 12.033) 12.704 1.982 ( 1.417 6.354 5.374) 8.442 2.077 ( 1.161 -0.345 1.604) 2.010 2.262 ( -2.211 3.523 2.968) 5.109 2.328 ( -3.653 1.770 -2.896) 4.987 2.361 ( -1.854 -2.282 -2.890) 4.123 2.390 ( -3.347 -7.171 2.658) 8.348 2.647 ( 1.083 4.247 0.237) 4.389 2.747 ( 0.710 -5.139 -1.065) 5.296 2.796 ( 2.993 6.130 5.514) 8.771 2.936 ( 2.912 -6.046 2.758) 7.255 3.139 ( -2.766 2.804 0.172) 3.942 3.194 ( -3.452 -2.066 1.094) 4.170 3.814 ( -1.604 1.558 -3.215) 3.916 3.867 ( -1.548 -3.094 -1.712) 3.860 4.329 ( -6.160 4.889 2.248) 8.180 4.415 ( -6.845 -2.622 5.928) 9.427 4.525 ( 0.906 2.299 -6.404) 6.864 4.553 ( -0.122 -0.205 -0.794) 0.829 4.750 ( 1.848 3.844 -3.262) 5.369 4.785 ( 3.450 0.868 -4.362) 5.629 5.185 ( -2.468 3.735 4.252) 6.174 5.268 ( -0.464 -3.721 4.824) 6.110 5.469 ( -0.440 0.953 1.707) 2.004 5.526 ( -2.796 -4.197 6.035) 7.865 6.197 ( 2.369 1.583 -5.812) 6.473 6.213 ( 1.338 -0.104 -3.917) 4.141 6.646 ( 2.193 0.788 2.674) 3.547 6.701 ( 3.018 -3.407 -0.129) 4.554 6.744 ( -1.424 -1.111 0.172) 1.814 6.775 ( -1.787 -3.100 -2.331) 4.270 7.487 ( 0.707 3.566 -5.633) 6.704 7.569 ( 0.449 -4.150 -5.917) 7.241 8.535 ( -3.927 13.166 6.208) 15.077 8.730 ( -0.893 -5.769 3.546) 6.830 9.087 ( -0.828 3.880 2.645) 4.768 9.135 ( -0.454 -0.317 4.449) 4.484 9.256 ( -5.847 10.851 -3.582) 12.836 9.474 ( -2.407 -8.008 -2.855) 8.836 9.669 ( 0.600 7.153 -0.124) 7.180 9.811 ( 2.406 -5.300 -0.925) 5.893 10.304 ( 0.152 1.660 -1.332) 2.134 10.360 ( 2.212 -3.345 -0.773) 4.084 10.481 ( -0.560 5.542 -1.506) 5.770 10.611 ( -2.047 -6.376 -3.200) 7.422 10.818 ( -2.409 0.174 7.779) 8.145 10.840 ( -2.883 -1.399 6.291) 7.060 11.436 ( 0.185 -0.503 -1.093) 1.218 11.446 ( -2.815 -1.510 1.564) 3.557 11.805 ( 0.229 1.627 0.816) 1.834 11.829 ( 0.621 -0.819 1.301) 1.658 12.192 ( -6.024 4.366 -9.095) 11.750 12.272 ( -4.651 -3.089 -7.680) 9.495 15.422 ( -2.487 4.670 5.197) 7.416 15.519 ( -1.752 -4.462 4.309) 6.446 16.720 ( -1.106 11.468 -5.240) 12.657 16.869 ( -4.429 -2.969 1.566) 5.557 17.117 ( 2.139 2.314 0.885) 3.273 17.268 ( 5.464 -11.085 -0.299) 12.362 17.944 ( 7.712 14.939 -9.519) 19.320 18.290 ( 10.040 -17.307 -10.054) 22.392 19.412 ( -6.001 1.402 6.743) 9.135 19.432 ( -5.916 -0.411 6.027) 8.456 19.898 ( -7.629 2.697 12.924) 15.248 19.966 ( -10.837 -3.793 15.736) 19.480 20.707 ( -0.620 3.042 9.005) 9.525 20.790 ( -1.286 -5.059 12.747) 13.774 23.128 ( 6.007 2.278 -12.694) 14.227 23.187 ( 4.834 -3.172 -9.735) 11.322 ======================= Grid point 73 (41/100) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 6.161 10.705 -8.409) 14.943 1.476 ( 7.267 -4.744 -4.803) 9.919 1.680 ( -0.326 7.408 6.555) 9.897 1.802 ( -2.234 -0.166 12.771) 12.966 2.033 ( -2.167 3.892 -1.278) 4.634 2.116 ( 4.482 -1.717 2.735) 5.524 2.229 ( -4.754 3.221 -1.089) 5.845 2.244 ( -2.504 3.170 3.596) 5.408 2.306 ( 1.913 -3.291 -4.690) 6.040 2.376 ( -3.265 -8.518 7.033) 11.518 2.661 ( 0.144 4.196 -0.655) 4.249 2.758 ( 2.619 -4.842 -2.772) 6.163 2.890 ( -0.923 4.755 6.152) 7.829 2.990 ( -2.512 -4.046 4.940) 6.862 3.094 ( 0.108 2.352 -2.396) 3.360 3.130 ( -2.644 -1.145 -0.409) 2.910 3.783 ( 1.069 2.969 -1.219) 3.383 3.861 ( 0.812 -4.030 2.391) 4.756 4.270 ( -2.713 5.877 3.910) 7.562 4.376 ( -4.923 -2.946 8.785) 10.492 4.492 ( 2.310 3.617 -7.304) 8.472 4.564 ( 2.486 -2.867 -1.784) 4.193 4.759 ( 0.932 3.723 0.054) 3.838 4.803 ( 2.384 -0.339 -3.341) 4.119 5.181 ( -3.032 6.293 5.849) 9.111 5.309 ( -0.214 -5.464 5.481) 7.742 5.468 ( -1.272 0.582 1.696) 2.198 5.513 ( -4.209 -3.507 5.828) 7.999 6.180 ( 1.890 2.245 -6.370) 7.013 6.211 ( 2.427 -0.712 -4.718) 5.353 6.663 ( -0.954 0.402 -2.255) 2.481 6.704 ( -0.405 -2.872 -4.587) 5.427 6.750 ( 1.181 0.015 4.003) 4.174 6.795 ( 1.993 -3.683 3.992) 5.785 7.464 ( 2.082 3.529 -4.849) 6.348 7.546 ( 2.181 -4.212 -4.209) 6.341 8.511 ( -4.290 15.180 5.521) 16.713 8.737 ( -1.588 -6.828 2.389) 7.407 9.049 ( -2.208 6.568 -2.775) 7.465 9.094 ( -1.967 2.687 -1.467) 3.639 9.208 ( -0.722 5.584 2.171) 6.035 9.404 ( -1.528 -9.852 -3.590) 10.596 9.676 ( 0.410 8.222 -1.007) 8.293 9.819 ( 0.650 -4.863 -3.407) 5.973 10.291 ( 0.167 3.384 -1.261) 3.615 10.382 ( 0.783 -4.756 -0.171) 4.823 10.493 ( 2.722 1.025 -0.434) 2.941 10.551 ( -1.846 -4.400 -1.387) 4.969 10.820 ( -3.812 0.808 5.430) 6.684 10.851 ( -2.259 -2.279 6.040) 6.839 11.401 ( -1.546 1.534 -0.671) 2.279 11.436 ( -0.121 -2.017 -0.319) 2.046 11.798 ( 0.074 0.978 -1.790) 2.041 11.825 ( -0.972 -1.094 -1.846) 2.356 12.132 ( 2.981 4.980 3.044) 6.554 12.237 ( 2.477 -4.741 3.221) 6.244 15.421 ( -2.519 5.100 5.028) 7.592 15.526 ( -1.664 -4.737 4.152) 6.515 16.662 ( 0.863 10.971 -6.672) 12.870 16.805 ( -2.780 -2.847 -0.781) 4.055 17.168 ( 1.719 3.847 1.954) 4.645 17.344 ( 2.900 -12.153 -0.936) 12.529 18.016 ( 6.645 15.885 -5.351) 18.031 18.369 ( 6.919 -17.169 -8.437) 20.343 19.353 ( -5.396 0.837 4.737) 7.229 19.367 ( -5.441 -0.368 4.235) 6.905 19.862 ( -7.254 1.649 9.963) 12.434 19.903 ( -9.293 -2.185 12.044) 15.369 20.749 ( -3.256 3.499 7.957) 9.282 20.841 ( -4.645 -5.330 10.710) 12.833 23.125 ( 6.150 2.311 -12.984) 14.552 23.184 ( 4.525 -3.203 -10.048) 11.476 ======================= Grid point 74 (42/100) ======================= q-point: (-0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 3.202 13.067 -9.415) 16.421 1.524 ( 0.749 -6.218 -0.414) 6.277 1.692 ( -4.409 7.861 5.953) 10.801 1.823 ( -3.991 -3.368 1.819) 5.530 1.984 ( -4.210 7.747 6.635) 11.034 2.077 ( -8.193 1.012 1.472) 8.386 2.223 ( -0.430 3.028 1.734) 3.516 2.280 ( 3.627 -1.383 2.642) 4.696 2.368 ( 4.922 -2.323 0.895) 5.516 2.398 ( 0.693 -5.924 5.628) 8.201 2.642 ( -0.149 4.455 -2.619) 5.170 2.773 ( 1.400 -6.864 -4.793) 8.488 2.856 ( -7.176 4.392 6.907) 10.885 2.927 ( -6.825 -2.160 5.549) 9.057 3.084 ( 1.776 1.726 -3.948) 4.660 3.138 ( 2.947 -2.944 -2.004) 4.623 3.839 ( 3.844 4.553 2.306) 6.389 3.929 ( 2.034 -3.380 5.143) 6.482 4.294 ( 1.519 4.394 2.879) 5.468 4.370 ( -2.647 -2.320 5.140) 6.230 4.490 ( 4.197 6.094 -5.522) 9.233 4.605 ( 3.419 -4.157 -2.069) 5.766 4.791 ( 0.764 1.720 3.138) 3.659 4.817 ( 1.777 -0.729 -2.156) 2.888 5.176 ( -4.236 9.054 8.183) 12.918 5.355 ( -0.934 -6.856 6.685) 9.621 5.455 ( -2.032 -0.479 2.011) 2.898 5.479 ( -3.228 -2.641 2.539) 4.883 6.159 ( 2.147 3.304 -6.352) 7.475 6.213 ( 2.634 -1.746 -5.012) 5.925 6.623 ( -1.626 -0.511 -0.778) 1.873 6.650 ( -0.954 -2.822 -3.195) 4.368 6.816 ( 1.488 0.307 2.963) 3.330 6.856 ( 0.955 -3.101 2.854) 4.321 7.481 ( 4.050 4.358 -4.111) 7.231 7.574 ( 4.486 -4.439 -3.698) 7.315 8.485 ( -3.105 14.532 4.687) 15.581 8.707 ( -3.001 -7.159 1.315) 7.874 9.012 ( -0.831 6.911 -2.632) 7.442 9.038 ( -2.317 3.690 -1.430) 4.586 9.240 ( 3.125 2.642 -0.001) 4.092 9.379 ( 4.053 -9.025 -4.716) 10.960 9.661 ( -0.946 7.230 -1.223) 7.394 9.778 ( -1.087 -3.785 -4.356) 5.872 10.297 ( 1.464 4.918 -0.930) 5.215 10.395 ( -0.335 -4.216 1.534) 4.499 10.519 ( -0.820 -0.281 0.014) 0.867 10.555 ( 3.884 -3.552 -0.381) 5.277 10.787 ( -3.983 2.341 4.048) 6.143 10.855 ( -2.403 -4.078 4.524) 6.547 11.380 ( 0.065 1.527 -0.852) 1.750 11.427 ( -0.188 -2.743 -0.754) 2.851 11.788 ( 0.485 -0.625 -1.624) 1.807 11.793 ( 0.178 -0.307 -2.488) 2.513 12.323 ( 10.394 4.139 9.029) 14.377 12.390 ( 8.022 -2.193 7.298) 11.065 15.418 ( -2.687 5.474 4.712) 7.706 15.531 ( -2.159 -5.304 4.865) 7.514 16.639 ( 3.693 8.936 -7.169) 12.037 16.758 ( 0.045 -2.714 -3.122) 4.137 17.209 ( -0.242 3.552 3.598) 5.062 17.360 ( -0.939 -10.093 0.793) 10.168 18.071 ( 3.838 14.421 -5.041) 15.751 18.378 ( 2.879 -14.406 -10.501) 18.058 19.304 ( -3.877 1.264 4.679) 6.207 19.333 ( -3.016 -1.370 6.235) 7.060 19.813 ( -6.685 1.129 8.368) 10.769 19.843 ( -7.661 -1.653 9.958) 12.673 20.730 ( -5.742 2.892 6.714) 9.295 20.815 ( -7.900 -5.252 9.539) 13.453 23.123 ( 6.320 2.004 -13.046) 14.634 23.174 ( 4.530 -2.829 -10.481) 11.764 ======================= Grid point 75 (43/100) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.822 16.367 -9.204) 18.795 1.493 ( -5.190 -0.130 1.873) 5.519 1.661 ( -2.488 0.754 2.817) 3.834 1.746 ( -5.713 -3.972 3.399) 7.744 1.886 ( -8.915 11.274 4.953) 15.202 2.019 ( -0.729 -0.999 0.772) 1.458 2.229 ( -0.872 2.302 2.631) 3.603 2.316 ( -3.739 -4.757 7.593) 9.709 2.468 ( 3.794 0.231 1.430) 4.061 2.498 ( 4.383 -2.530 1.367) 5.242 2.598 ( -2.982 2.995 -0.794) 4.301 2.712 ( -2.640 -6.827 -2.651) 7.786 2.807 ( -4.682 5.782 7.044) 10.246 2.899 ( -0.957 -3.162 2.963) 4.438 3.102 ( 4.388 1.390 -4.261) 6.273 3.165 ( 2.500 -3.976 -2.925) 5.533 3.932 ( 2.435 3.880 3.032) 5.493 4.001 ( 0.277 -2.524 4.757) 5.392 4.363 ( 5.085 2.579 -2.427) 6.197 4.391 ( 3.025 -0.038 0.832) 3.137 4.546 ( 4.832 5.960 -2.061) 7.945 4.639 ( 2.193 -2.028 -2.657) 3.998 4.816 ( 0.134 1.054 -0.024) 1.063 4.842 ( 0.133 -1.521 2.657) 3.064 5.178 ( -4.807 9.667 11.102) 15.486 5.388 ( -4.137 -8.951 9.396) 13.621 5.410 ( -2.482 1.589 -0.763) 3.044 5.461 ( 0.486 -3.566 -1.200) 3.793 6.148 ( 2.777 4.033 -5.826) 7.610 6.222 ( 2.959 -2.658 -4.359) 5.901 6.590 ( -1.665 -0.684 0.513) 1.872 6.617 ( -0.523 -2.866 -1.149) 3.132 6.852 ( 0.457 -0.208 0.860) 0.996 6.880 ( -0.433 -2.692 1.505) 3.114 7.533 ( 5.252 4.939 -4.452) 8.474 7.633 ( 5.402 -4.491 -4.640) 8.419 8.488 ( -1.235 11.860 5.192) 13.005 8.671 ( -1.913 -5.554 1.523) 6.069 8.928 ( -3.910 4.276 -1.955) 6.115 8.982 ( -3.590 0.403 -1.009) 3.751 9.327 ( 6.937 4.965 -2.176) 8.804 9.464 ( 7.282 -6.851 -3.591) 10.624 9.631 ( -0.894 5.396 -0.198) 5.473 9.712 ( -1.753 -2.351 -3.167) 4.316 10.319 ( 1.490 4.984 -0.868) 5.274 10.384 ( -2.414 -1.973 1.519) 3.468 10.524 ( 0.301 2.767 2.027) 3.443 10.616 ( 3.044 -3.995 -1.640) 5.284 10.760 ( -2.168 2.203 3.488) 4.661 10.848 ( -2.446 -4.842 3.924) 6.696 11.387 ( 1.420 -0.182 -0.885) 1.682 11.422 ( 0.572 -3.070 -0.660) 3.192 11.775 ( 0.060 0.259 -1.779) 1.799 11.790 ( 0.760 -1.716 -1.314) 2.291 12.630 ( 11.187 2.534 5.040) 12.529 12.642 ( 13.621 1.294 5.475) 14.737 15.406 ( -2.766 5.872 4.122) 7.689 15.535 ( -2.770 -6.581 6.097) 9.389 16.677 ( 6.764 6.689 -6.090) 11.295 16.762 ( 3.692 -2.043 -3.329) 5.374 17.223 ( -2.505 1.560 5.139) 5.926 17.328 ( -4.750 -7.443 3.901) 9.653 18.066 ( 2.719 11.057 -8.638) 14.292 18.281 ( -0.294 -9.365 -15.168) 17.829 19.311 ( -2.156 2.427 9.242) 9.795 19.362 ( -1.726 -2.222 9.021) 9.450 19.777 ( -5.525 0.802 9.866) 11.336 19.805 ( -6.040 -1.786 10.587) 12.319 20.664 ( -7.194 1.499 5.834) 9.382 20.725 ( -10.638 -4.611 9.461) 14.964 23.124 ( 6.400 1.524 -12.808) 14.399 23.165 ( 4.830 -2.269 -10.758) 12.009 ======================= Grid point 76 (44/100) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.427 17.210 -8.422) 19.165 1.365 ( -7.544 5.239 -2.420) 9.498 1.642 ( -3.030 -2.932 3.818) 5.688 1.687 ( -6.246 -2.734 8.896) 11.209 1.833 ( -1.539 11.806 3.812) 12.501 2.018 ( 0.899 -4.059 -1.673) 4.481 2.243 ( 0.296 2.146 1.686) 2.745 2.317 ( -3.341 -2.585 7.735) 8.814 2.474 ( -2.376 0.346 -0.088) 2.403 2.540 ( -0.898 -4.825 -1.299) 5.077 2.598 ( 0.424 2.059 4.743) 5.188 2.656 ( -1.433 -3.242 2.370) 4.263 2.808 ( -0.970 3.999 2.785) 4.968 2.883 ( -2.634 -3.276 -0.162) 4.206 3.167 ( 5.074 -0.193 -2.643) 5.724 3.190 ( 3.214 -2.151 -3.124) 4.971 3.965 ( -0.436 2.171 0.382) 2.247 4.018 ( -1.380 -2.737 1.507) 3.416 4.453 ( 7.078 3.557 -3.032) 8.481 4.476 ( 4.282 1.871 -0.221) 4.678 4.608 ( 3.152 3.711 -2.557) 5.500 4.642 ( 2.271 0.802 -4.118) 4.771 4.804 ( -1.699 1.355 0.172) 2.180 4.831 ( -2.784 -0.737 -0.074) 2.881 5.197 ( -4.896 6.076 12.345) 14.604 5.327 ( -6.614 -2.247 4.761) 8.454 5.413 ( 1.937 -2.421 -1.416) 3.409 5.464 ( -0.064 -5.156 0.514) 5.182 6.158 ( 3.396 4.414 -4.867) 7.395 6.242 ( 2.739 -3.039 -3.604) 5.452 6.572 ( -1.293 -0.787 1.612) 2.211 6.603 ( -0.562 -3.192 0.199) 3.247 6.852 ( -0.131 -0.590 -0.961) 1.135 6.872 ( -1.131 -2.573 0.256) 2.822 7.578 ( 4.411 4.877 -6.381) 9.163 7.676 ( 4.339 -4.383 -6.483) 8.948 8.531 ( -0.593 8.533 7.020) 11.065 8.660 ( -1.097 -3.032 1.691) 3.641 8.868 ( -1.627 2.847 1.788) 3.735 8.921 ( -2.278 -1.816 2.433) 3.796 9.428 ( 5.273 6.198 -2.196) 8.429 9.532 ( 3.588 -1.824 -3.975) 5.657 9.646 ( 1.826 -0.161 0.669) 1.951 9.671 ( -0.759 -1.095 -0.024) 1.333 10.324 ( -0.927 2.618 -0.289) 2.792 10.346 ( -1.221 0.848 -0.579) 1.595 10.551 ( -0.591 4.593 3.316) 5.696 10.636 ( 1.681 1.665 -2.387) 3.361 10.769 ( -0.623 -2.076 3.192) 3.858 10.839 ( -2.387 -4.888 4.268) 6.913 11.414 ( 2.362 -1.476 -1.193) 3.030 11.444 ( 1.706 -3.620 0.469) 4.029 11.758 ( -0.046 0.831 -1.659) 1.856 11.790 ( 0.169 -2.513 -0.715) 2.619 12.805 ( 6.041 5.173 -3.968) 8.888 12.874 ( 8.275 -1.118 -5.994) 10.279 15.397 ( -2.068 5.963 4.090) 7.521 15.536 ( -3.408 -7.658 6.609) 10.674 16.766 ( 7.042 5.346 -4.454) 9.900 16.828 ( 5.732 -1.227 -2.621) 6.421 17.202 ( -5.124 -0.800 5.110) 7.281 17.256 ( -7.105 -5.073 5.501) 10.318 18.034 ( 4.180 5.207 -13.180) 14.775 18.127 ( 1.299 -3.178 -16.389) 16.745 19.376 ( -2.163 2.468 12.126) 12.563 19.418 ( -2.301 -1.586 10.731) 11.089 19.800 ( -4.311 0.556 14.786) 15.411 19.832 ( -3.725 -2.554 17.153) 17.737 20.578 ( -7.598 0.582 6.141) 9.786 20.617 ( -9.015 -3.288 9.741) 13.674 23.128 ( 6.274 1.203 -12.452) 13.995 23.161 ( 5.304 -1.928 -10.651) 12.054 ======================= Grid point 98 (45/100) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -3.391 0.000 20.764) 21.039 0.916 ( 12.012 0.000 24.363) 27.163 1.053 ( -10.701 0.000 21.661) 24.160 1.600 ( -3.296 0.000 1.206) 3.510 1.998 ( -0.701 0.000 -8.276) 8.305 2.039 ( 2.793 0.000 -1.706) 3.273 2.158 ( 3.174 0.000 -5.124) 6.027 2.314 ( -10.640 0.000 12.947) 16.758 2.375 ( -4.018 0.000 10.647) 11.380 2.561 ( -0.632 0.000 2.311) 2.395 2.691 ( -1.171 0.000 7.473) 7.564 2.811 ( -3.640 0.000 7.890) 8.690 3.069 ( 0.023 0.000 2.190) 2.190 3.111 ( 0.043 0.000 -1.841) 1.842 3.250 ( -1.202 0.000 2.011) 2.343 3.343 ( -0.900 0.000 -4.948) 5.029 3.727 ( 7.317 0.000 -14.284) 16.049 3.860 ( 2.020 0.000 -4.818) 5.224 4.092 ( 3.124 0.000 -4.293) 5.310 4.110 ( 0.390 0.000 1.979) 2.017 4.309 ( 2.526 0.000 -0.364) 2.552 4.579 ( -2.414 0.000 -8.036) 8.391 4.740 ( -6.827 0.000 14.781) 16.281 4.804 ( -5.744 0.000 11.700) 13.034 5.115 ( 1.858 0.000 -3.454) 3.922 5.253 ( -5.061 0.000 -0.898) 5.140 5.519 ( 1.624 0.000 -5.125) 5.376 5.939 ( -4.672 0.000 8.840) 9.999 5.976 ( 6.546 0.000 -11.038) 12.833 6.409 ( -4.571 0.000 4.715) 6.567 6.651 ( 10.883 0.000 -14.534) 18.157 6.778 ( 1.682 0.000 -1.558) 2.293 6.945 ( 1.357 0.000 -0.581) 1.476 7.109 ( -5.692 0.000 8.111) 9.909 7.332 ( 0.588 0.000 -9.055) 9.074 7.658 ( 4.410 0.000 -8.313) 9.410 8.254 ( -12.448 0.000 -1.052) 12.492 8.780 ( -6.044 0.000 -12.891) 14.238 8.895 ( -0.618 0.000 5.770) 5.803 8.945 ( 0.857 0.000 6.088) 6.148 9.094 ( 5.279 0.000 4.966) 7.248 9.401 ( 9.790 0.000 -4.057) 10.597 9.481 ( -2.301 0.000 0.988) 2.504 9.713 ( 4.470 0.000 -3.876) 5.917 10.079 ( 1.726 0.000 6.246) 6.480 10.242 ( 1.318 0.000 -0.766) 1.524 10.475 ( -4.704 0.000 4.673) 6.631 10.802 ( 3.019 0.000 -5.117) 5.941 10.803 ( 0.241 0.000 9.831) 9.834 11.258 ( 3.449 0.000 4.027) 5.303 11.540 ( 0.416 0.000 -5.044) 5.061 11.594 ( -12.747 0.000 -0.067) 12.747 11.715 ( 1.209 0.000 2.669) 2.930 11.982 ( 0.527 0.000 -0.521) 0.741 12.163 ( 2.659 0.000 -4.501) 5.228 12.236 ( -11.147 0.000 -2.898) 11.517 15.280 ( 1.790 0.000 6.423) 6.668 15.992 ( -3.225 0.000 -15.582) 15.912 16.491 ( -27.201 0.000 -0.759) 27.211 16.548 ( 17.207 0.000 -5.161) 17.965 17.292 ( -3.766 0.000 7.298) 8.212 17.565 ( -6.610 0.000 -3.064) 7.286 17.933 ( -5.448 0.000 15.929) 16.835 18.442 ( 24.012 0.000 -0.402) 24.015 19.348 ( -3.920 0.000 7.556) 8.513 19.676 ( -6.908 0.000 9.842) 12.025 19.888 ( -0.747 0.000 -3.251) 3.336 20.368 ( 10.053 0.000 -10.370) 14.443 20.775 ( -10.851 0.000 25.555) 27.763 22.344 ( -23.808 0.000 8.769) 25.372 22.690 ( 10.770 0.000 -25.780) 27.939 23.092 ( 10.211 0.000 -11.664) 15.502 ======================= Grid point 99 (46/100) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.685 0.000 17.840) 17.919 1.080 ( -7.805 0.000 22.566) 23.878 1.363 ( 12.723 0.000 18.922) 22.802 1.547 ( -3.494 0.000 0.161) 3.498 1.888 ( -1.273 0.000 -9.765) 9.848 1.913 ( -1.951 0.000 -15.436) 15.558 2.235 ( -6.082 0.000 3.711) 7.125 2.329 ( 8.226 0.000 6.874) 10.720 2.387 ( -6.098 0.000 12.889) 14.259 2.575 ( -0.693 0.000 3.625) 3.690 2.739 ( 0.027 0.000 5.044) 5.044 2.821 ( -3.745 0.000 9.498) 10.210 3.029 ( -4.261 0.000 1.531) 4.527 3.132 ( 0.244 0.000 1.912) 1.927 3.233 ( -1.901 0.000 -0.093) 1.903 3.274 ( -3.229 0.000 -0.420) 3.256 3.771 ( 11.281 0.000 -14.284) 18.202 3.806 ( -2.313 0.000 -6.174) 6.594 4.087 ( 1.604 0.000 -6.056) 6.264 4.116 ( -2.106 0.000 3.074) 3.726 4.387 ( 4.332 0.000 2.164) 4.843 4.435 ( -1.415 0.000 -11.010) 11.101 4.790 ( -3.804 0.000 15.359) 15.823 4.809 ( -6.620 0.000 14.362) 15.814 5.140 ( -5.835 0.000 -0.223) 5.839 5.172 ( 6.382 0.000 -1.462) 6.547 5.511 ( 2.492 0.000 -5.669) 6.193 5.924 ( -1.834 0.000 2.171) 2.842 5.974 ( 4.744 0.000 -12.679) 13.537 6.387 ( -5.809 0.000 11.380) 12.777 6.721 ( 9.006 0.000 -12.096) 15.080 6.797 ( 2.198 0.000 -2.299) 3.181 6.959 ( 0.887 0.000 -0.654) 1.102 7.064 ( -7.099 0.000 8.381) 10.983 7.244 ( 0.682 0.000 -11.369) 11.390 7.671 ( 3.475 0.000 -5.908) 6.854 7.984 ( -17.669 0.000 8.862) 19.767 8.543 ( -7.508 0.000 -8.307) 11.197 8.961 ( -2.138 0.000 0.170) 2.145 8.972 ( 1.764 0.000 5.595) 5.866 9.230 ( 1.147 0.000 9.287) 9.358 9.412 ( -0.765 0.000 -8.355) 8.390 9.458 ( 1.308 0.000 -2.479) 2.803 9.747 ( 3.547 0.000 -6.305) 7.234 10.224 ( 8.126 0.000 3.046) 8.678 10.303 ( 5.611 0.000 -1.725) 5.870 10.424 ( -4.857 0.000 4.040) 6.318 10.827 ( 3.337 0.000 -2.875) 4.405 10.919 ( 1.144 0.000 10.401) 10.463 11.288 ( -0.576 0.000 -4.125) 4.165 11.354 ( -14.982 0.000 9.682) 17.839 11.541 ( 2.342 0.000 -0.187) 2.350 11.767 ( 0.769 0.000 4.576) 4.640 11.929 ( -1.652 0.000 -4.749) 5.028 12.023 ( -8.012 0.000 -4.116) 9.007 12.245 ( 5.231 0.000 1.951) 5.583 15.378 ( 0.132 0.000 9.645) 9.646 15.797 ( -1.221 0.000 -15.415) 15.463 16.067 ( -17.947 0.000 2.375) 18.104 16.848 ( 15.997 0.000 -0.934) 16.024 17.275 ( -6.734 0.000 10.441) 12.425 17.432 ( -5.061 0.000 -1.786) 5.367 17.974 ( -2.946 0.000 9.671) 10.110 18.763 ( 15.282 0.000 -8.957) 17.714 19.356 ( -3.001 0.000 8.270) 8.797 19.604 ( -9.426 0.000 8.717) 12.838 19.861 ( 0.857 0.000 -2.620) 2.756 20.371 ( 0.944 0.000 -9.436) 9.483 20.828 ( -9.868 0.000 26.397) 28.182 21.935 ( -28.982 0.000 18.981) 34.645 22.654 ( 11.165 0.000 -26.573) 28.824 23.175 ( 8.313 0.000 -9.326) 12.493 ======================= Grid point 100 (47/100) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -6.048 0.000 21.434) 22.271 1.208 ( 1.200 0.000 15.159) 15.207 1.460 ( -4.557 0.000 -1.950) 4.956 1.654 ( 1.977 0.000 8.549) 8.775 1.762 ( 3.234 0.000 -17.723) 18.015 1.822 ( 3.295 0.000 -7.072) 7.802 2.163 ( -1.311 0.000 -0.920) 1.602 2.387 ( -6.445 0.000 12.906) 14.426 2.511 ( 2.347 0.000 6.908) 7.296 2.601 ( 0.480 0.000 4.171) 4.198 2.784 ( 1.222 0.000 2.144) 2.468 2.840 ( -2.432 0.000 8.182) 8.536 2.971 ( -4.819 0.000 4.024) 6.278 3.126 ( -1.974 0.000 0.891) 2.166 3.173 ( -2.563 0.000 -2.144) 3.341 3.228 ( -4.448 0.000 5.462) 7.044 3.693 ( -3.019 0.000 -5.021) 5.858 3.864 ( 10.751 0.000 -13.155) 16.989 4.067 ( 3.031 0.000 -6.278) 6.972 4.087 ( -3.567 0.000 2.322) 4.256 4.355 ( 3.216 0.000 -10.277) 10.768 4.479 ( 4.191 0.000 -1.119) 4.338 4.805 ( -7.695 0.000 13.674) 15.690 4.872 ( -1.310 0.000 12.877) 12.944 5.048 ( -6.969 0.000 7.359) 10.135 5.303 ( 6.941 0.000 1.221) 7.048 5.497 ( 1.028 0.000 -4.986) 5.091 5.912 ( 1.540 0.000 -5.347) 5.564 5.951 ( 3.520 0.000 -7.087) 7.913 6.382 ( -7.962 0.000 15.354) 17.296 6.743 ( 4.885 0.000 -12.111) 13.059 6.819 ( 2.859 0.000 -3.953) 4.879 6.976 ( 0.910 0.000 1.122) 1.444 7.001 ( -6.847 0.000 6.785) 9.640 7.182 ( 3.588 0.000 -9.386) 10.048 7.668 ( 2.263 0.000 -6.944) 7.304 7.812 ( -12.534 0.000 17.092) 21.195 8.385 ( -3.116 0.000 -3.161) 4.439 8.888 ( -4.055 0.000 -1.766) 4.423 9.035 ( -0.235 0.000 4.241) 4.247 9.276 ( -3.405 0.000 -10.719) 11.247 9.300 ( -2.793 0.000 10.003) 10.385 9.477 ( 3.879 0.000 -5.604) 6.816 9.735 ( 1.754 0.000 -6.522) 6.754 10.342 ( -4.682 0.000 5.288) 7.063 10.404 ( 7.272 0.000 -2.866) 7.816 10.424 ( 7.316 0.000 -0.324) 7.323 10.859 ( 1.447 0.000 -0.915) 1.712 10.978 ( -4.138 0.000 6.472) 7.682 11.193 ( -1.696 0.000 -9.851) 9.996 11.265 ( -6.105 0.000 14.424) 15.663 11.592 ( 1.905 0.000 1.088) 2.193 11.767 ( -5.395 0.000 0.326) 5.404 11.869 ( -0.192 0.000 -4.151) 4.155 11.940 ( 2.644 0.000 3.175) 4.131 12.351 ( 2.912 0.000 3.523) 4.571 15.417 ( -6.686 0.000 10.037) 12.060 15.680 ( 3.186 0.000 -14.158) 14.512 15.895 ( -3.163 0.000 5.218) 6.102 17.075 ( 4.609 0.000 4.014) 6.112 17.245 ( -4.626 0.000 9.158) 10.260 17.352 ( -2.416 0.000 0.031) 2.416 17.994 ( -1.173 0.000 3.085) 3.301 18.867 ( 7.450 0.000 -14.352) 16.171 19.375 ( -3.804 0.000 8.361) 9.185 19.511 ( -7.932 0.000 9.102) 12.073 19.868 ( 1.704 0.000 -1.753) 2.445 20.267 ( -4.111 0.000 -5.268) 6.682 20.864 ( -11.188 0.000 24.731) 27.144 21.675 ( -19.472 0.000 23.971) 30.883 22.629 ( 12.261 0.000 -26.870) 29.535 23.217 ( 5.004 0.000 -9.248) 10.515 ======================= Grid point 101 (48/100) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -7.358 0.000 17.180) 18.689 1.223 ( -11.479 0.000 7.859) 13.911 1.442 ( 3.657 0.000 2.065) 4.200 1.557 ( -14.452 0.000 -2.002) 14.590 1.740 ( 9.648 0.000 -14.185) 17.155 1.862 ( 6.493 0.000 -3.031) 7.165 2.220 ( 4.126 0.000 4.142) 5.846 2.376 ( -6.723 0.000 11.901) 13.668 2.503 ( -5.417 0.000 2.174) 5.837 2.673 ( 0.549 0.000 3.573) 3.615 2.806 ( -0.719 0.000 0.610) 0.943 2.880 ( -6.750 0.000 9.524) 11.674 2.910 ( 0.387 0.000 -0.254) 0.463 3.099 ( -0.847 0.000 0.311) 0.903 3.131 ( -0.289 0.000 0.462) 0.545 3.212 ( -2.650 0.000 6.447) 6.970 3.638 ( 0.781 0.000 -1.848) 2.007 3.899 ( 4.601 0.000 -10.561) 11.519 4.031 ( -3.501 0.000 0.526) 3.540 4.095 ( 6.044 0.000 -7.314) 9.488 4.359 ( 5.450 0.000 -7.319) 9.125 4.493 ( 0.827 0.000 -7.080) 7.128 4.775 ( -6.283 0.000 9.517) 11.404 4.965 ( -0.522 0.000 10.485) 10.498 5.040 ( -5.355 0.000 17.176) 17.992 5.409 ( 3.659 0.000 -6.616) 7.561 5.477 ( -0.281 0.000 4.829) 4.837 5.882 ( 0.609 0.000 -4.582) 4.622 5.980 ( 4.464 0.000 -4.546) 6.371 6.379 ( -7.820 0.000 17.188) 18.883 6.693 ( 3.969 0.000 -16.048) 16.532 6.816 ( 0.691 0.000 -3.828) 3.890 6.939 ( -5.279 0.000 5.112) 7.348 7.018 ( 1.477 0.000 2.798) 3.164 7.215 ( 6.592 0.000 -5.411) 8.528 7.637 ( 2.504 0.000 -8.265) 8.636 7.830 ( -4.349 0.000 20.802) 21.252 8.375 ( 3.402 0.000 -0.392) 3.425 8.800 ( -3.237 0.000 -1.668) 3.641 9.012 ( -5.586 0.000 -0.291) 5.594 9.142 ( 0.041 0.000 -7.301) 7.301 9.321 ( -3.694 0.000 8.652) 9.408 9.478 ( 2.150 0.000 -6.941) 7.267 9.703 ( 1.267 0.000 -6.500) 6.623 10.267 ( -7.410 0.000 5.255) 9.085 10.518 ( 7.683 0.000 -3.503) 8.443 10.550 ( 4.869 0.000 0.205) 4.873 10.849 ( -2.748 0.000 0.863) 2.881 10.909 ( -7.104 0.000 3.838) 8.074 11.074 ( 0.089 0.000 -11.753) 11.753 11.339 ( -0.446 0.000 12.958) 12.965 11.623 ( 0.983 0.000 -0.198) 1.003 11.670 ( -3.301 0.000 -0.567) 3.349 11.843 ( 0.930 0.000 -3.367) 3.493 12.100 ( 7.136 0.000 8.223) 10.888 12.406 ( -0.136 0.000 2.567) 2.570 15.332 ( -8.093 0.000 4.881) 9.451 15.656 ( 7.433 0.000 -13.081) 15.045 16.021 ( 5.138 0.000 15.553) 16.380 17.055 ( -9.980 0.000 7.918) 12.740 17.294 ( 2.066 0.000 1.912) 2.815 17.344 ( 0.924 0.000 1.123) 1.454 17.981 ( -2.756 0.000 1.729) 3.253 18.790 ( 0.106 0.000 -17.712) 17.712 19.360 ( -4.592 0.000 7.734) 8.994 19.500 ( -3.725 0.000 10.865) 11.486 19.878 ( 0.665 0.000 -1.531) 1.670 20.145 ( -4.878 0.000 -1.797) 5.198 20.866 ( -11.067 0.000 21.773) 24.424 21.629 ( -11.087 0.000 27.931) 30.051 22.626 ( 13.454 0.000 -26.493) 29.714 23.193 ( 2.672 0.000 -11.498) 11.804 ======================= Grid point 102 (49/100) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -14.685 0.000 9.483) 17.480 1.146 ( -18.583 0.000 -1.331) 18.631 1.219 ( -12.796 0.000 11.279) 17.057 1.550 ( 4.653 0.000 3.433) 5.782 1.811 ( 8.081 0.000 -10.107) 12.941 1.974 ( 3.799 0.000 3.378) 5.084 2.323 ( -6.517 0.000 17.567) 18.737 2.393 ( 5.592 0.000 0.850) 5.656 2.400 ( -4.545 0.000 -1.977) 4.957 2.648 ( -4.919 0.000 1.638) 5.185 2.746 ( -10.796 0.000 4.281) 11.614 2.769 ( -3.920 0.000 1.468) 4.186 2.971 ( 2.359 0.000 1.252) 2.671 3.107 ( 1.161 0.000 0.157) 1.171 3.172 ( 1.949 0.000 2.576) 3.230 3.258 ( 2.443 0.000 4.226) 4.881 3.678 ( 3.779 0.000 0.054) 3.779 3.861 ( 2.438 0.000 -11.381) 11.639 3.984 ( -1.076 0.000 -0.213) 1.096 4.131 ( 2.596 0.000 -3.924) 4.706 4.399 ( -0.475 0.000 -11.546) 11.556 4.415 ( 5.461 0.000 -3.227) 6.343 4.763 ( -4.809 0.000 10.956) 11.965 5.025 ( -2.881 0.000 8.420) 8.899 5.140 ( -1.150 0.000 15.743) 15.785 5.332 ( -2.147 0.000 -8.223) 8.498 5.551 ( 0.548 0.000 5.722) 5.748 5.869 ( 0.504 0.000 0.216) 0.548 6.009 ( 2.044 0.000 -3.659) 4.191 6.406 ( -5.280 0.000 15.361) 16.243 6.620 ( 5.794 0.000 -18.908) 19.776 6.787 ( -0.094 0.000 -3.123) 3.124 6.903 ( -2.822 0.000 3.715) 4.665 7.075 ( 1.201 0.000 3.820) 4.004 7.298 ( 5.818 0.000 -3.383) 6.730 7.629 ( 5.095 0.000 -8.888) 10.245 8.011 ( 3.395 0.000 19.316) 19.612 8.481 ( 8.000 0.000 -1.014) 8.064 8.752 ( -0.831 0.000 0.227) 0.861 8.872 ( -5.957 0.000 -1.086) 6.055 9.120 ( 0.597 0.000 -2.563) 2.632 9.325 ( -3.338 0.000 5.781) 6.676 9.435 ( 0.181 0.000 -5.619) 5.622 9.666 ( 0.835 0.000 -5.557) 5.619 10.171 ( -7.553 0.000 5.079) 9.102 10.587 ( 0.329 0.000 -2.956) 2.974 10.591 ( -1.168 0.000 1.020) 1.550 10.801 ( 0.129 0.000 -1.260) 1.267 10.817 ( -5.596 0.000 3.716) 6.718 10.994 ( 1.373 0.000 -8.284) 8.397 11.474 ( 3.473 0.000 9.879) 10.472 11.629 ( 0.741 0.000 -1.673) 1.830 11.640 ( -0.469 0.000 1.357) 1.436 11.839 ( 1.714 0.000 -3.027) 3.479 12.321 ( 8.165 0.000 7.068) 10.799 12.394 ( -2.314 0.000 -0.001) 2.314 15.239 ( -4.936 0.000 2.305) 5.448 15.719 ( 11.404 0.000 -11.733) 16.362 16.357 ( 10.709 0.000 26.404) 28.493 16.899 ( -10.023 0.000 -0.480) 10.035 17.317 ( -0.881 0.000 0.877) 1.243 17.394 ( 3.148 0.000 0.342) 3.167 17.931 ( -6.388 0.000 7.247) 9.660 18.546 ( -8.313 0.000 -18.950) 20.693 19.363 ( -3.323 0.000 8.542) 9.165 19.547 ( -1.973 0.000 10.946) 11.122 19.875 ( 1.411 0.000 -1.657) 2.177 20.064 ( -3.389 0.000 0.798) 3.482 20.850 ( -10.403 0.000 18.787) 21.475 21.764 ( -4.303 0.000 33.681) 33.954 22.649 ( 14.257 0.000 -25.539) 29.249 23.120 ( 2.641 0.000 -14.460) 14.699 ======================= Grid point 103 (50/100) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -21.624 0.000 3.391) 21.888 0.873 ( -15.041 0.000 15.575) 21.652 1.142 ( -11.519 0.000 15.644) 19.428 1.660 ( 2.020 0.000 4.491) 4.924 1.832 ( 3.513 0.000 -6.576) 7.455 2.041 ( -1.167 0.000 6.156) 6.266 2.320 ( -0.559 0.000 -5.736) 5.763 2.327 ( -5.072 0.000 10.417) 11.586 2.535 ( -3.631 0.000 5.584) 6.661 2.570 ( -3.975 0.000 1.948) 4.427 2.627 ( -0.309 0.000 8.932) 8.937 2.704 ( -5.127 0.000 3.934) 6.462 3.011 ( 1.146 0.000 0.704) 1.345 3.127 ( 1.502 0.000 -1.855) 2.387 3.221 ( 0.602 0.000 2.755) 2.820 3.349 ( 4.110 0.000 -0.376) 4.127 3.757 ( 4.620 0.000 -0.809) 4.690 3.798 ( 3.016 0.000 -12.946) 13.293 4.000 ( 2.563 0.000 0.427) 2.599 4.109 ( -1.906 0.000 -1.446) 2.393 4.314 ( 2.974 0.000 -11.179) 11.568 4.497 ( 4.158 0.000 1.058) 4.291 4.787 ( -3.987 0.000 11.436) 12.111 4.987 ( -8.275 0.000 5.512) 9.943 5.222 ( -1.851 0.000 -6.067) 6.343 5.254 ( -0.090 0.000 10.818) 10.818 5.579 ( -1.281 0.000 1.801) 2.210 5.904 ( 0.918 0.000 3.746) 3.857 5.983 ( -1.155 0.000 -3.013) 3.227 6.448 ( -3.147 0.000 9.958) 10.443 6.579 ( 8.622 0.000 -19.351) 21.185 6.765 ( 0.521 0.000 -2.301) 2.360 6.900 ( -0.408 0.000 2.147) 2.186 7.121 ( -0.577 0.000 4.304) 4.342 7.356 ( 3.611 0.000 -3.376) 4.943 7.653 ( 6.427 0.000 -10.740) 12.516 8.258 ( 7.188 0.000 8.297) 10.977 8.640 ( 9.223 0.000 0.007) 9.223 8.782 ( 3.311 0.000 1.274) 3.548 8.854 ( 2.108 0.000 9.814) 10.038 9.076 ( -2.940 0.000 -3.650) 4.687 9.251 ( -5.590 0.000 -3.852) 6.789 9.437 ( 1.162 0.000 2.945) 3.166 9.645 ( 1.362 0.000 -2.711) 3.034 10.087 ( -6.116 0.000 5.211) 8.034 10.463 ( -8.784 0.000 -1.836) 8.974 10.551 ( -3.900 0.000 2.688) 4.736 10.769 ( -4.143 0.000 4.970) 6.470 10.827 ( 4.659 0.000 -8.666) 9.839 11.000 ( 3.268 0.000 2.028) 3.846 11.613 ( 3.596 0.000 2.552) 4.409 11.620 ( 0.677 0.000 -3.414) 3.480 11.680 ( 2.535 0.000 3.973) 4.712 11.857 ( 2.905 0.000 -1.883) 3.462 12.326 ( -3.070 0.000 -3.266) 4.482 12.491 ( 4.514 0.000 0.937) 4.611 15.195 ( -1.977 0.000 2.297) 3.030 15.869 ( 14.804 0.000 -9.756) 17.730 16.676 ( -8.149 0.000 -10.458) 13.258 16.897 ( 17.540 0.000 26.135) 31.475 17.297 ( -2.085 0.000 2.163) 3.004 17.456 ( 4.679 0.000 0.395) 4.695 17.893 ( -7.932 0.000 14.484) 16.514 18.145 ( -16.706 0.000 -14.962) 22.426 19.372 ( -4.240 0.000 8.429) 9.435 19.620 ( -1.326 0.000 10.951) 11.031 19.932 ( 6.714 0.000 -3.969) 7.799 20.030 ( -1.241 0.000 3.948) 4.138 20.819 ( -10.555 0.000 17.555) 20.484 22.089 ( 4.787 0.000 35.080) 35.405 22.688 ( 13.999 0.000 -24.591) 28.296 23.047 ( 4.895 0.000 -16.040) 16.770 ======================= Grid point 104 (51/100) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -3.037 0.000 22.478) 22.682 0.791 ( -10.759 0.000 20.582) 23.225 1.079 ( -11.796 0.000 19.018) 22.380 1.658 ( -3.811 0.000 1.360) 4.046 1.904 ( 6.796 0.000 0.736) 6.836 2.050 ( -1.194 0.000 0.613) 1.343 2.245 ( -1.065 0.000 -8.122) 8.192 2.338 ( -4.502 0.000 11.829) 12.656 2.420 ( -10.696 0.000 9.260) 14.147 2.551 ( -0.495 0.000 1.910) 1.973 2.666 ( -3.754 0.000 6.914) 7.867 2.774 ( 2.047 0.000 6.638) 6.947 3.036 ( 0.956 0.000 1.060) 1.427 3.129 ( 0.802 0.000 -2.481) 2.608 3.245 ( -0.287 0.000 2.105) 2.125 3.382 ( 1.555 0.000 -4.101) 4.386 3.746 ( 4.609 0.000 -13.735) 14.488 3.829 ( 4.508 0.000 -2.696) 5.252 4.065 ( 2.875 0.000 0.968) 3.033 4.075 ( 0.931 0.000 -2.396) 2.570 4.293 ( 2.621 0.000 -5.774) 6.341 4.581 ( 2.366 0.000 3.116) 3.913 4.805 ( -4.805 0.000 10.354) 11.415 4.841 ( -10.502 0.000 3.746) 11.150 5.150 ( -1.377 0.000 -3.642) 3.893 5.312 ( -1.932 0.000 4.250) 4.669 5.549 ( -0.826 0.000 -2.731) 2.853 5.936 ( -4.303 0.000 8.281) 9.332 5.955 ( 3.861 0.000 -5.779) 6.950 6.452 ( -3.222 0.000 3.682) 4.893 6.592 ( 10.657 0.000 -17.458) 20.454 6.764 ( 1.285 0.000 -1.703) 2.134 6.920 ( 1.081 0.000 0.585) 1.229 7.130 ( -3.355 0.000 6.030) 6.900 7.372 ( 2.016 0.000 -5.037) 5.425 7.660 ( 5.354 0.000 -11.572) 12.750 8.373 ( 1.357 0.000 -1.218) 1.824 8.818 ( 5.732 0.000 7.050) 9.086 8.874 ( 7.811 0.000 -7.355) 10.729 8.947 ( -6.057 0.000 -2.033) 6.389 9.083 ( -7.562 0.000 -2.289) 7.901 9.128 ( 13.916 0.000 9.091) 16.623 9.487 ( 0.117 0.000 3.124) 3.126 9.669 ( 2.802 0.000 -1.453) 3.156 10.046 ( -3.540 0.000 5.987) 6.956 10.295 ( -6.165 0.000 -1.185) 6.277 10.512 ( -3.952 0.000 4.629) 6.086 10.753 ( -2.886 0.000 6.795) 7.383 10.810 ( 2.614 0.000 -7.895) 8.317 11.126 ( 5.061 0.000 5.594) 7.544 11.588 ( 0.082 0.000 -5.195) 5.195 11.670 ( 1.709 0.000 1.376) 2.194 11.735 ( -0.389 0.000 -1.724) 1.768 11.919 ( 4.186 0.000 0.398) 4.205 12.228 ( -2.393 0.000 -6.192) 6.638 12.458 ( -6.472 0.000 -4.430) 7.843 15.209 ( 0.444 0.000 4.027) 4.052 16.060 ( 11.775 0.000 -9.264) 14.983 16.448 ( -0.952 0.000 -13.722) 13.755 17.000 ( -17.183 0.000 -6.980) 18.547 17.289 ( -2.034 0.000 4.490) 4.930 17.757 ( -11.195 0.000 -5.714) 12.569 17.871 ( 27.445 0.000 14.805) 31.184 17.898 ( -7.425 0.000 17.809) 19.295 19.361 ( -4.630 0.000 7.732) 9.012 19.678 ( -3.427 0.000 10.729) 11.263 19.937 ( -0.695 0.000 -3.672) 3.737 20.187 ( 13.300 0.000 -1.694) 13.408 20.781 ( -11.336 0.000 19.753) 22.775 22.455 ( 2.586 0.000 16.474) 16.675 22.710 ( 12.061 0.000 -24.786) 27.565 23.030 ( 8.616 0.000 -14.726) 17.061 ======================= Grid point 105 (52/100) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -5.239 -2.936 21.642) 22.460 0.947 ( 7.913 3.553 18.174) 20.138 1.255 ( -6.338 15.501 13.908) 21.769 1.685 ( -1.835 6.637 2.801) 7.433 1.965 ( -2.336 -1.940 -3.674) 4.767 2.019 ( 7.660 -2.649 -1.420) 8.229 2.177 ( -3.418 0.480 -3.863) 5.181 2.343 ( -0.825 0.256 -1.203) 1.481 2.369 ( -8.288 3.192 12.521) 15.351 2.566 ( -0.583 0.707 2.310) 2.486 2.648 ( -2.175 -2.366 4.634) 5.639 2.801 ( -4.328 -0.923 10.665) 11.547 3.042 ( 1.663 -5.083 0.133) 5.350 3.120 ( -2.114 -0.212 -0.174) 2.132 3.187 ( -0.005 -3.852 0.228) 3.859 3.315 ( -0.808 -0.868 0.459) 1.272 3.754 ( 4.993 2.539 -9.926) 11.398 3.911 ( 4.189 1.382 -8.426) 9.511 4.129 ( -0.715 7.449 -1.250) 7.587 4.221 ( 2.396 6.519 -3.432) 7.747 4.366 ( 3.549 5.293 -0.394) 6.385 4.605 ( -2.717 2.199 -7.806) 8.553 4.744 ( -7.037 0.444 13.184) 14.951 4.775 ( -5.472 -2.584 11.398) 12.905 5.122 ( 1.065 0.684 -3.490) 3.713 5.274 ( -3.868 1.818 -0.381) 4.291 5.482 ( 1.858 -3.136 -5.516) 6.612 5.895 ( 1.185 -6.022 -0.369) 6.149 5.984 ( -0.098 2.775 -0.484) 2.818 6.376 ( -4.216 -2.828 5.345) 7.372 6.631 ( 9.159 -1.609 -12.708) 15.747 6.746 ( 1.283 -2.905 -0.843) 3.286 6.909 ( 1.094 -3.114 -0.595) 3.354 7.074 ( -5.359 -3.413 6.300) 8.947 7.332 ( 1.112 0.265 -7.429) 7.516 7.630 ( 4.291 -2.437 -8.924) 10.198 8.333 ( -11.135 7.159 1.400) 13.312 8.748 ( -0.063 -0.463 -0.003) 0.467 8.950 ( -1.656 2.387 4.320) 5.206 8.990 ( 0.127 4.198 3.667) 5.575 9.170 ( 4.825 6.379 0.242) 8.001 9.350 ( -0.697 -1.708 -0.826) 2.021 9.571 ( 5.434 4.845 -4.892) 8.771 9.724 ( 3.725 0.854 -3.159) 4.958 10.117 ( 1.478 3.555 4.176) 5.680 10.243 ( 1.734 0.126 -1.150) 2.085 10.477 ( -4.450 0.391 4.431) 6.292 10.746 ( 0.923 -3.082 3.462) 4.726 10.853 ( 1.793 2.223 1.800) 3.376 11.203 ( 0.930 -4.647 6.449) 8.003 11.462 ( -2.562 -3.648 -4.560) 6.377 11.644 ( -3.073 0.362 -3.727) 4.844 11.724 ( 1.850 0.645 3.317) 3.853 12.026 ( 2.956 -2.383 1.315) 4.018 12.114 ( -8.352 4.945 -7.610) 12.334 12.330 ( -5.343 5.330 -7.527) 10.658 15.315 ( 1.217 3.157 6.603) 7.420 15.932 ( -5.359 -5.463 -9.825) 12.454 16.478 ( -10.997 2.119 1.233) 11.267 16.656 ( 7.581 6.942 -8.555) 13.373 17.260 ( -4.182 -2.596 5.876) 7.665 17.501 ( -6.036 -5.465 -1.912) 8.364 17.875 ( -4.942 -5.373 11.232) 13.396 18.345 ( 19.919 -8.508 -2.868) 21.849 19.417 ( -3.462 5.589 8.322) 10.605 19.664 ( -5.684 -0.621 8.595) 10.323 19.931 ( -1.660 3.525 0.032) 3.896 20.353 ( 9.508 -1.520 -8.747) 13.009 20.789 ( -10.848 1.313 26.041) 28.241 21.983 ( -22.845 -27.652 25.821) 44.196 22.700 ( 10.841 0.872 -25.475) 27.700 23.062 ( 10.274 -3.018 -13.284) 17.062 ======================= Grid point 106 (53/100) ======================= q-point: ( 0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -2.598 -3.762 21.600) 22.079 1.249 ( 7.099 -5.047 10.221) 13.429 1.297 ( -2.142 13.317 12.698) 18.525 1.706 ( 0.711 9.640 5.420) 11.083 1.865 ( -0.600 0.823 -10.236) 10.287 1.997 ( -2.295 3.119 -9.448) 10.211 2.205 ( 2.978 -2.877 0.542) 4.176 2.318 ( -2.526 0.143 9.210) 9.551 2.374 ( -1.076 -0.802 5.605) 5.764 2.582 ( -1.033 0.814 4.009) 4.220 2.667 ( 0.334 -3.067 4.884) 5.776 2.826 ( -3.751 -0.964 11.315) 11.959 3.025 ( -3.313 -3.219 -0.721) 4.675 3.086 ( -1.551 -3.171 0.713) 3.601 3.175 ( -1.550 -2.969 0.345) 3.367 3.295 ( -2.725 1.475 2.315) 3.868 3.742 ( 2.398 -0.324 -9.308) 9.617 3.925 ( 6.340 4.419 -9.151) 11.978 4.100 ( -1.539 4.850 0.038) 5.089 4.187 ( -2.428 5.080 -3.577) 6.671 4.438 ( 3.851 4.595 -0.225) 6.000 4.477 ( -0.402 3.729 -8.935) 9.690 4.770 ( -5.004 -1.821 14.089) 15.061 4.781 ( -5.489 -2.384 13.726) 14.974 5.130 ( -0.100 -0.316 -2.286) 2.310 5.223 ( 1.061 3.925 1.117) 4.216 5.478 ( 2.855 -2.870 -5.841) 7.106 5.901 ( 1.908 -5.647 -4.383) 7.398 5.970 ( 0.525 3.352 -3.225) 4.681 6.354 ( -5.687 -2.948 9.907) 11.798 6.685 ( 7.300 -2.710 -9.819) 12.532 6.763 ( 1.774 -3.037 -1.910) 4.002 6.923 ( 0.922 -3.182 -0.133) 3.316 7.016 ( -6.367 -3.963 5.565) 9.339 7.271 ( 0.854 2.062 -8.957) 9.231 7.634 ( 3.318 -3.123 -6.395) 7.852 8.132 ( -14.173 12.604 9.074) 21.026 8.626 ( -5.963 6.824 -7.528) 11.781 8.969 ( -0.498 2.154 3.383) 4.042 9.035 ( -0.387 4.194 2.734) 5.021 9.251 ( -1.869 0.802 6.967) 7.258 9.334 ( 2.234 -1.667 -2.043) 3.457 9.557 ( 0.104 4.756 -7.359) 8.763 9.761 ( 3.802 1.054 -5.955) 7.144 10.225 ( 6.677 0.473 2.092) 7.013 10.298 ( 4.208 -0.420 -1.513) 4.491 10.438 ( -3.285 1.045 3.614) 4.995 10.801 ( 3.118 -2.799 -0.594) 4.232 10.924 ( 0.387 0.658 7.840) 7.877 11.220 ( -4.490 -5.541 3.871) 8.115 11.352 ( -6.219 -0.131 -0.058) 6.221 11.563 ( -1.289 1.248 -1.169) 2.141 11.793 ( 1.134 1.818 5.229) 5.651 11.940 ( -4.071 0.374 -3.513) 5.390 12.007 ( -5.032 -0.088 -3.744) 6.273 12.259 ( 3.231 1.064 -1.403) 3.680 15.400 ( -0.472 2.085 9.317) 9.559 15.757 ( -3.728 -2.933 -7.960) 9.266 16.168 ( -13.099 8.636 -2.718) 15.923 16.895 ( 14.445 3.860 -2.067) 15.094 17.241 ( -5.399 -2.892 9.153) 11.013 17.397 ( -3.234 -2.772 -0.994) 4.374 17.878 ( -3.367 -8.561 6.507) 11.268 18.618 ( 14.827 -12.200 -8.662) 21.064 19.426 ( -3.512 5.271 7.603) 9.896 19.609 ( -8.289 0.578 8.337) 11.770 19.907 ( -0.560 3.913 -0.450) 3.978 20.359 ( 0.136 -1.210 -7.491) 7.589 20.844 ( -9.739 1.596 26.328) 28.116 21.749 ( -24.485 -15.247 25.446) 38.464 22.668 ( 11.123 1.244 -26.230) 28.518 23.131 ( 8.618 -4.044 -11.266) 14.749 ======================= Grid point 107 (54/100) ======================= q-point: ( 0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -3.638 -4.626 15.155) 16.257 1.360 ( -0.180 -2.783 3.879) 4.778 1.395 ( 1.339 8.496 9.131) 12.544 1.768 ( 2.012 3.269 -10.960) 11.613 1.798 ( 1.522 8.712 1.425) 8.958 1.910 ( 0.942 5.119 -4.931) 7.169 2.180 ( -0.962 1.482 -1.663) 2.426 2.362 ( -4.675 -2.405 11.062) 12.247 2.465 ( 2.460 -3.970 6.369) 7.898 2.603 ( -0.243 0.495 4.644) 4.676 2.748 ( 3.379 -1.012 3.147) 4.727 2.859 ( -3.100 -0.774 9.728) 10.239 2.951 ( -4.799 -1.953 2.095) 5.589 3.048 ( -2.182 -5.294 -0.949) 5.804 3.137 ( -2.640 -2.088 0.209) 3.372 3.260 ( -4.090 1.883 4.553) 6.404 3.678 ( -0.252 -0.556 -6.951) 6.977 3.977 ( 7.505 6.258 -9.791) 13.833 4.073 ( -0.726 2.588 -1.412) 3.036 4.099 ( -2.985 1.596 -2.048) 3.957 4.429 ( 3.871 6.110 -8.007) 10.790 4.505 ( 3.137 2.381 -1.926) 4.384 4.770 ( -5.873 -2.645 11.004) 12.751 4.856 ( -2.653 -1.921 16.290) 16.616 5.075 ( -4.786 2.512 3.939) 6.688 5.320 ( 5.475 1.522 2.054) 6.042 5.472 ( 1.561 -2.147 -4.801) 5.486 5.903 ( 3.815 -4.046 -6.815) 8.795 5.948 ( 0.684 2.956 -3.553) 4.672 6.336 ( -7.488 -3.800 13.478) 15.880 6.708 ( 4.748 -2.849 -10.889) 12.216 6.775 ( 1.582 -3.634 -2.582) 4.730 6.942 ( -1.071 -3.221 3.216) 4.676 6.961 ( -2.703 -2.919 3.937) 5.597 7.216 ( 2.156 2.701 -8.454) 9.133 7.627 ( 2.219 -3.364 -6.802) 7.906 7.996 ( -11.589 15.469 15.053) 24.498 8.486 ( -2.132 8.599 -3.882) 9.673 8.926 ( -3.867 3.436 -1.355) 5.348 9.062 ( -0.953 1.825 3.754) 4.282 9.207 ( -3.774 -3.037 -2.167) 5.307 9.377 ( -0.219 4.456 3.716) 5.806 9.496 ( 1.415 1.450 -7.640) 7.904 9.753 ( 1.863 1.453 -6.643) 7.051 10.316 ( -2.126 -2.156 1.537) 3.396 10.383 ( 6.933 -0.205 1.619) 7.122 10.452 ( 4.077 0.669 -1.388) 4.358 10.837 ( 0.828 -2.842 -0.670) 3.035 10.963 ( -4.058 -0.927 6.138) 7.416 11.142 ( -3.641 -4.064 -1.989) 5.808 11.280 ( -3.560 1.451 6.447) 7.506 11.564 ( 0.611 -2.364 0.485) 2.489 11.792 ( -4.627 1.459 -0.579) 4.886 11.874 ( -1.220 0.527 -5.757) 5.908 11.944 ( 3.186 0.780 5.634) 6.519 12.342 ( 3.030 -0.934 3.288) 4.568 15.433 ( -6.126 1.486 9.730) 11.593 15.667 ( 1.638 -0.802 -7.089) 7.320 16.002 ( -2.177 9.331 -1.158) 9.652 17.048 ( -0.260 -2.767 3.301) 4.315 17.241 ( -2.519 -0.720 7.953) 8.374 17.383 ( 2.550 3.744 -0.126) 4.531 17.875 ( -0.530 -10.657 1.381) 10.759 18.742 ( 8.333 -10.824 -12.223) 18.330 19.418 ( -4.528 3.350 6.839) 8.860 19.526 ( -7.907 1.267 8.930) 11.994 19.901 ( 0.226 2.888 -0.671) 2.973 20.258 ( -4.884 -0.955 -3.470) 6.067 20.883 ( -10.905 1.807 24.402) 26.789 21.584 ( -17.512 -7.886 25.493) 31.918 22.644 ( 12.111 1.403 -26.529) 29.197 23.166 ( 5.809 -4.674 -11.207) 13.460 ======================= Grid point 108 (55/100) ======================= q-point: (-0.57 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -8.349 -6.720 6.651) 12.613 1.372 ( -3.750 5.358 6.289) 9.073 1.496 ( 3.463 5.542 2.752) 7.090 1.684 ( -6.479 6.480 -5.342) 10.607 1.785 ( 2.951 7.138 -6.236) 9.928 1.915 ( 2.412 4.052 0.082) 4.716 2.229 ( 5.012 0.716 2.460) 5.629 2.365 ( -5.571 -1.316 10.902) 12.313 2.489 ( -4.149 -2.052 3.656) 5.899 2.659 ( 0.380 -0.810 3.639) 3.747 2.807 ( -0.348 1.110 1.285) 1.733 2.856 ( -7.666 -2.693 7.282) 10.911 2.912 ( 1.283 -0.418 1.251) 1.840 3.019 ( 0.152 -5.071 0.213) 5.078 3.096 ( -1.744 -2.470 1.083) 3.211 3.236 ( -2.916 1.230 5.500) 6.346 3.642 ( 2.133 0.252 -3.881) 4.435 3.984 ( 0.926 5.997 -5.270) 8.037 4.048 ( -1.157 2.324 -1.651) 3.077 4.084 ( 5.954 0.698 -6.211) 8.632 4.453 ( 4.610 6.877 -5.735) 10.072 4.502 ( -0.098 0.765 -5.233) 5.289 4.761 ( -4.167 -1.149 7.585) 8.730 4.960 ( -1.981 -1.347 15.142) 15.331 5.056 ( -3.874 2.412 10.771) 11.698 5.412 ( 2.997 0.292 -5.478) 6.251 5.463 ( 0.128 -1.359 4.352) 4.561 5.895 ( 0.918 0.080 -4.273) 4.371 5.955 ( 3.422 -1.273 -3.924) 5.360 6.330 ( -6.838 -4.057 15.204) 17.158 6.663 ( 3.562 -2.462 -14.888) 15.505 6.771 ( 0.095 -3.617 -1.738) 4.014 6.932 ( -3.075 -1.647 4.647) 5.810 6.994 ( 1.354 -2.075 3.058) 3.936 7.212 ( 4.666 0.870 -6.146) 7.765 7.602 ( 2.731 -2.835 -7.864) 8.794 7.984 ( -5.760 13.174 17.971) 23.015 8.486 ( 4.036 9.227 -0.943) 10.115 8.838 ( -3.478 3.429 -1.707) 5.174 9.007 ( -5.843 -1.127 -2.263) 6.367 9.150 ( 0.573 1.625 -1.350) 2.189 9.386 ( -2.844 5.381 5.514) 8.213 9.461 ( 1.930 -1.558 -7.974) 8.351 9.720 ( 1.228 1.343 -6.659) 6.903 10.260 ( -5.982 -0.469 4.279) 7.370 10.511 ( 6.647 -0.725 -2.713) 7.216 10.534 ( 4.496 -1.556 0.372) 4.772 10.808 ( -3.724 -4.226 0.550) 5.660 10.901 ( -6.393 -0.399 3.603) 7.349 11.058 ( -0.398 -1.337 -7.561) 7.688 11.327 ( -0.139 -0.656 9.707) 9.730 11.572 ( -0.406 -3.561 0.700) 3.652 11.712 ( -1.334 2.514 -2.319) 3.671 11.838 ( 1.330 -0.776 -3.702) 4.009 12.108 ( 6.424 1.155 9.052) 11.160 12.408 ( 0.730 0.017 2.972) 3.060 15.365 ( -7.431 2.995 5.561) 9.752 15.675 ( 6.228 1.014 -8.061) 10.237 16.060 ( 3.942 4.585 8.794) 10.672 16.988 ( -7.881 -5.427 3.626) 10.233 17.279 ( 0.024 -0.713 5.545) 5.590 17.446 ( 3.137 7.703 -0.629) 8.341 17.880 ( -0.941 -8.991 1.699) 9.199 18.699 ( 0.892 -8.093 -16.031) 17.980 19.386 ( -5.003 2.111 7.153) 8.980 19.504 ( -4.127 0.354 10.468) 11.258 19.894 ( -0.367 1.506 -0.783) 1.737 20.136 ( -5.493 -0.845 -0.721) 5.604 20.886 ( -11.092 1.859 21.633) 24.382 21.554 ( -11.755 -6.620 27.660) 30.775 22.640 ( 13.210 1.339 -26.197) 29.370 23.144 ( 3.826 -4.461 -13.091) 14.350 ======================= Grid point 109 (56/100) ======================= q-point: (-0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -12.548 -5.755 5.574) 14.888 1.255 ( -13.891 9.171 1.298) 16.696 1.461 ( -10.202 13.337 3.426) 17.138 1.622 ( 6.296 5.731 0.937) 8.565 1.824 ( 5.446 2.064 -7.136) 9.211 1.970 ( -0.524 -0.086 6.211) 6.234 2.335 ( -6.929 0.915 15.725) 17.208 2.379 ( 4.388 -0.903 -1.469) 4.715 2.437 ( 0.194 1.676 -0.066) 1.688 2.648 ( -3.907 0.038 2.460) 4.617 2.726 ( -9.619 -0.349 5.398) 11.036 2.789 ( -4.091 1.031 1.152) 4.374 2.967 ( 2.273 -0.444 1.434) 2.724 3.034 ( 0.655 -5.811 0.379) 5.860 3.110 ( 1.364 -5.061 2.088) 5.642 3.262 ( 0.787 0.046 3.878) 3.957 3.683 ( 4.725 0.870 -2.551) 5.440 3.951 ( 1.591 6.522 -7.000) 9.699 4.029 ( 0.804 3.592 -0.990) 3.812 4.149 ( 5.228 2.918 -3.827) 7.106 4.399 ( -2.701 1.245 -7.110) 7.707 4.508 ( 4.683 5.915 -4.018) 8.548 4.756 ( -3.759 -0.458 8.049) 8.895 5.029 ( -3.701 -0.081 9.913) 10.582 5.128 ( -0.500 -0.305 12.519) 12.532 5.350 ( -2.038 1.546 -5.570) 6.129 5.528 ( 0.330 -2.073 4.761) 5.204 5.889 ( 0.708 1.257 0.502) 1.528 5.969 ( 1.329 -3.210 -3.714) 5.085 6.359 ( -4.390 -4.069 13.705) 14.955 6.595 ( 5.176 -2.074 -16.944) 17.838 6.753 ( -0.363 -2.894 -1.345) 3.212 6.909 ( -2.389 -0.067 1.997) 3.114 7.051 ( 1.200 -2.475 3.422) 4.390 7.267 ( 5.089 -1.241 -3.069) 6.071 7.601 ( 5.404 -2.414 -8.962) 10.740 8.103 ( 0.673 8.730 18.032) 20.045 8.585 ( 6.495 8.248 -1.887) 10.666 8.779 ( -1.463 2.422 -0.052) 2.831 8.879 ( -4.262 0.547 -1.190) 4.459 9.158 ( 0.669 2.931 -1.681) 3.444 9.384 ( -2.409 5.135 4.908) 7.500 9.426 ( 2.225 -0.905 -6.747) 7.162 9.680 ( 0.563 1.070 -5.515) 5.645 10.182 ( -6.435 1.203 4.684) 8.049 10.547 ( -0.594 -2.306 -2.832) 3.700 10.602 ( -0.528 -0.491 2.048) 2.172 10.754 ( 1.069 -4.165 -1.765) 4.648 10.810 ( -5.982 -0.354 3.233) 6.809 11.000 ( 0.847 0.380 -5.516) 5.594 11.433 ( 2.552 -3.090 7.410) 8.424 11.573 ( 0.109 -3.532 1.219) 3.738 11.688 ( 0.309 2.426 -2.126) 3.240 11.848 ( 3.148 -0.196 -3.309) 4.571 12.322 ( 6.917 1.297 7.242) 10.098 12.430 ( 0.858 2.579 0.489) 2.762 15.283 ( -5.062 4.025 3.010) 7.133 15.755 ( 10.657 2.224 -8.880) 14.048 16.283 ( 5.470 -3.908 19.088) 20.237 16.853 ( -6.126 -4.108 -2.723) 7.862 17.342 ( 1.653 0.173 4.192) 4.510 17.481 ( 1.976 8.106 -1.033) 8.407 17.860 ( -5.351 -6.164 7.268) 10.929 18.487 ( -6.689 -5.340 -18.245) 20.153 19.380 ( -3.619 1.491 9.000) 9.814 19.543 ( -2.290 -0.310 10.583) 10.832 19.884 ( 0.646 0.860 -0.420) 1.155 20.052 ( -3.652 -1.103 1.031) 3.952 20.866 ( -10.891 1.479 19.157) 22.086 21.643 ( -8.209 -10.335 32.599) 35.169 22.660 ( 13.952 1.076 -25.319) 28.929 23.081 ( 3.817 -3.587 -15.551) 16.410 ======================= Grid point 110 (57/100) ======================= q-point: (-0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -14.242 -1.534 9.697) 17.299 0.980 ( -14.630 11.942 4.354) 19.380 1.344 ( -10.241 14.779 11.154) 21.160 1.733 ( 2.982 5.137 0.550) 5.965 1.831 ( 3.203 0.183 -6.429) 7.185 2.001 ( -2.878 -2.925 8.037) 9.024 2.312 ( -5.367 -0.002 7.659) 9.352 2.385 ( 1.064 2.508 -3.632) 4.540 2.521 ( -0.508 0.094 3.491) 3.529 2.585 ( -7.567 1.779 4.452) 8.958 2.649 ( 0.657 0.442 6.332) 6.381 2.719 ( -5.177 2.393 4.388) 7.196 2.996 ( -0.651 -2.843 1.892) 3.477 3.074 ( 3.933 -3.229 -1.153) 5.218 3.153 ( 1.077 -6.709 1.518) 6.963 3.309 ( 1.164 -2.197 1.153) 2.741 3.742 ( 4.554 1.723 -5.200) 7.124 3.922 ( 3.389 6.828 -8.986) 11.784 4.067 ( 3.929 4.959 -0.759) 6.373 4.187 ( 0.201 6.999 -0.304) 7.008 4.309 ( 2.240 0.848 -8.631) 8.957 4.566 ( 3.330 5.084 0.107) 6.078 4.768 ( -3.624 -1.581 9.226) 10.038 4.988 ( -8.311 0.047 5.856) 10.167 5.210 ( 1.460 -0.194 -1.660) 2.219 5.285 ( -3.257 2.135 6.896) 7.920 5.545 ( -1.184 -2.781 0.987) 3.180 5.924 ( -2.184 -1.685 5.389) 6.054 5.939 ( 1.730 -0.918 -4.702) 5.093 6.400 ( -2.986 -4.084 9.279) 10.568 6.561 ( 7.956 -1.491 -17.074) 18.896 6.738 ( 0.056 -2.462 -1.099) 2.697 6.890 ( -0.779 -0.899 0.718) 1.390 7.092 ( -0.397 -2.960 3.517) 4.613 7.328 ( 3.774 -1.440 -2.583) 4.795 7.627 ( 6.546 -2.359 -10.867) 12.903 8.314 ( 5.796 5.238 12.070) 14.377 8.637 ( 0.076 1.588 1.314) 2.062 8.793 ( 0.763 1.512 2.098) 2.697 8.891 ( 4.553 2.431 4.094) 6.588 9.126 ( -0.627 3.804 -4.160) 5.672 9.374 ( 1.646 8.441 -6.313) 10.668 9.441 ( 1.067 0.613 2.850) 3.104 9.655 ( 1.071 0.773 -2.264) 2.621 10.114 ( -5.158 2.738 4.743) 7.523 10.437 ( -7.427 -1.667 -2.015) 7.874 10.565 ( -4.192 0.557 2.894) 5.124 10.745 ( -4.352 -2.160 4.475) 6.605 10.807 ( 5.292 -1.578 -5.975) 8.136 11.004 ( 2.064 0.281 1.678) 2.675 11.522 ( 1.976 -5.160 1.073) 5.629 11.614 ( 2.106 -4.471 2.830) 5.695 11.675 ( 0.833 2.053 -2.487) 3.331 11.892 ( 4.341 0.147 -2.924) 5.236 12.381 ( -0.486 5.708 -2.889) 6.416 12.527 ( 5.655 2.954 -0.793) 6.429 15.239 ( -2.399 4.066 2.904) 5.543 15.908 ( 13.903 2.128 -8.981) 16.687 16.487 ( -3.399 -12.361 7.568) 14.887 16.806 ( 4.744 -3.681 3.787) 7.099 17.393 ( 0.416 0.625 0.025) 0.751 17.554 ( 7.855 9.009 2.338) 12.179 17.819 ( -8.878 -6.178 11.890) 16.074 18.140 ( -12.889 -0.745 -13.425) 18.625 19.399 ( -3.738 2.523 9.490) 10.507 19.606 ( -1.420 -1.000 10.406) 10.549 19.941 ( 6.099 0.594 -1.519) 6.314 20.016 ( -1.734 -1.199 3.783) 4.330 20.829 ( -11.146 1.006 18.392) 21.529 21.836 ( -5.722 -19.977 36.961) 42.403 22.695 ( 13.741 0.712 -24.437) 28.044 23.019 ( 5.844 -2.634 -16.862) 18.040 ======================= Grid point 111 (58/100) ======================= q-point: (-0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -2.886 2.534 19.555) 19.928 0.832 ( -9.877 8.547 13.604) 18.859 1.275 ( -9.127 15.532 13.731) 22.652 1.716 ( -3.311 4.410 1.473) 5.708 1.891 ( 7.385 -0.606 -3.993) 8.417 2.009 ( -2.221 -3.407 3.577) 5.417 2.267 ( -4.718 0.133 2.388) 5.289 2.362 ( -0.243 1.602 -2.358) 2.861 2.451 ( -9.364 3.940 8.030) 12.950 2.557 ( -0.267 0.597 1.969) 2.075 2.655 ( -3.380 -0.696 4.310) 5.521 2.768 ( -0.536 0.177 8.822) 8.840 3.005 ( 0.831 -4.689 1.042) 4.874 3.130 ( 1.827 0.977 -0.315) 2.096 3.176 ( 0.686 -7.078 0.242) 7.115 3.322 ( 0.002 -3.100 -0.230) 3.108 3.754 ( 4.280 2.723 -9.078) 10.399 3.913 ( 4.108 3.853 -8.883) 10.518 4.134 ( 2.244 6.679 -0.732) 7.084 4.182 ( 2.482 7.626 -2.090) 8.287 4.319 ( 3.748 3.305 -3.988) 6.393 4.627 ( 1.744 3.762 1.830) 4.532 4.776 ( -4.523 -2.546 9.047) 10.430 4.848 ( -10.345 0.644 4.047) 11.127 5.166 ( -1.370 1.504 -3.862) 4.365 5.315 ( -1.866 0.352 4.431) 4.821 5.514 ( -0.753 -2.975 -2.995) 4.288 5.887 ( -1.263 -5.083 0.531) 5.264 5.975 ( 0.523 2.152 1.909) 2.924 6.405 ( -3.309 -3.789 4.774) 6.935 6.580 ( 9.771 -1.156 -15.578) 18.425 6.735 ( 0.548 -2.619 -0.677) 2.760 6.893 ( 0.714 -2.216 -0.094) 2.331 7.099 ( -2.937 -3.087 5.068) 6.622 7.354 ( 2.324 -0.955 -4.376) 5.046 7.636 ( 5.419 -2.199 -11.636) 13.023 8.451 ( 0.964 6.648 -1.365) 6.855 8.682 ( -0.902 -5.932 10.632) 12.208 8.846 ( 2.160 1.157 5.956) 6.441 9.015 ( 2.500 -0.217 1.044) 2.718 9.107 ( 1.993 7.012 -1.461) 7.435 9.344 ( 4.191 9.834 -8.885) 13.900 9.498 ( 2.363 1.602 1.991) 3.480 9.683 ( 2.790 1.092 -0.815) 3.105 10.085 ( -2.409 3.870 4.886) 6.683 10.289 ( -5.363 -0.306 -1.420) 5.556 10.519 ( -4.072 0.677 3.913) 5.688 10.721 ( -2.818 -2.595 5.465) 6.674 10.827 ( 2.795 1.010 -4.686) 5.549 11.099 ( 3.291 -2.237 5.962) 7.168 11.527 ( -0.031 -4.566 -3.816) 5.951 11.665 ( 0.814 -2.354 2.849) 3.784 11.688 ( 2.174 -1.366 -3.084) 4.013 11.953 ( 4.432 -0.921 -1.682) 4.829 12.305 ( -2.523 8.205 -8.718) 12.234 12.509 ( -3.976 4.098 -6.972) 9.012 15.250 ( -0.005 3.765 4.467) 5.842 16.049 ( 6.267 -3.444 -9.509) 11.898 16.413 ( 2.386 -0.819 -5.380) 5.942 16.871 ( -7.321 -6.442 0.953) 9.799 17.325 ( -5.379 1.061 -1.475) 5.677 17.666 ( -11.010 -7.171 -0.547) 13.150 17.828 ( 8.354 -2.909 3.914) 9.673 17.984 ( 5.793 3.629 10.596) 12.609 19.409 ( -3.972 4.278 8.804) 10.563 19.662 ( -2.935 -1.128 9.666) 10.165 19.961 ( -1.079 1.912 -0.613) 2.280 20.167 ( 12.888 -1.734 -0.651) 13.020 20.791 ( -11.708 0.930 20.782) 23.871 22.034 ( -9.944 -31.332 32.332) 46.108 22.716 ( 12.075 0.567 -24.565) 27.378 23.008 ( 9.093 -2.372 -15.819) 18.400 ======================= Grid point 112 (59/100) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -2.551 3.625 10.694) 11.576 1.070 ( 0.811 7.010 6.977) 9.924 1.570 ( -3.630 11.072 3.023) 12.038 1.804 ( 1.985 3.663 3.008) 5.139 1.900 ( 1.291 -5.265 -0.814) 5.481 1.973 ( 2.624 0.274 -0.809) 2.760 2.174 ( -2.835 2.212 -2.177) 4.203 2.390 ( -2.025 3.109 0.972) 3.835 2.478 ( -5.014 5.764 0.117) 7.641 2.582 ( -1.503 -0.957 5.154) 5.454 2.622 ( -0.682 2.157 2.368) 3.275 2.763 ( -6.614 -3.708 11.366) 13.663 2.908 ( 1.669 -6.533 -0.260) 6.748 2.987 ( -0.487 -7.523 0.192) 7.541 3.198 ( -1.294 0.930 2.453) 2.926 3.291 ( 0.805 -1.739 2.586) 3.218 3.810 ( 0.924 2.605 -6.843) 7.380 3.930 ( 1.854 0.652 -5.957) 6.273 4.312 ( 1.708 8.377 -4.259) 9.551 4.370 ( 2.095 7.131 -2.943) 7.994 4.498 ( 4.315 6.064 -2.351) 7.805 4.661 ( -2.817 2.691 -6.139) 7.270 4.710 ( -4.891 -3.017 9.146) 10.801 4.757 ( -7.715 0.522 9.333) 12.120 5.147 ( -0.284 1.875 -3.401) 3.894 5.325 ( -2.522 2.749 1.562) 4.044 5.403 ( 2.878 -3.873 -6.626) 8.197 5.736 ( 0.760 -8.263 -0.143) 8.299 6.057 ( -0.066 3.758 1.855) 4.192 6.304 ( -3.139 -3.738 4.345) 6.535 6.597 ( 6.388 -1.431 -8.382) 10.636 6.669 ( 0.079 -3.811 0.748) 3.885 6.837 ( -0.014 -3.003 -0.535) 3.050 6.975 ( -4.362 -5.410 4.205) 8.123 7.353 ( 2.296 1.810 -7.139) 7.714 7.564 ( 4.243 -3.654 -10.178) 11.616 8.522 ( -7.583 9.516 4.926) 13.127 8.764 ( 2.094 1.120 4.762) 5.321 9.006 ( 1.326 3.118 7.704) 8.416 9.077 ( 0.460 3.231 5.012) 5.981 9.311 ( 3.874 5.732 -1.435) 7.066 9.363 ( -4.109 3.357 -4.624) 7.038 9.645 ( 5.167 2.156 -4.275) 7.045 9.733 ( 2.264 -0.400 -1.679) 2.847 10.217 ( 0.500 5.015 -0.171) 5.043 10.255 ( 1.723 1.606 -1.003) 2.560 10.496 ( -3.780 1.252 2.158) 4.529 10.674 ( 0.943 -3.373 2.083) 4.075 10.888 ( 0.789 1.036 4.102) 4.304 11.090 ( -2.372 -5.485 8.593) 10.467 11.402 ( 0.312 -1.906 -5.448) 5.780 11.597 ( 1.128 -4.274 -2.941) 5.309 11.741 ( 2.363 1.075 3.751) 4.562 11.918 ( -0.382 -5.276 4.146) 6.721 12.302 ( -6.748 8.940 -15.304) 18.965 12.430 ( -4.581 3.810 -11.796) 13.215 15.405 ( -0.233 5.198 6.987) 8.711 15.791 ( -5.806 -7.051 0.291) 9.139 16.591 ( -4.706 7.800 -1.058) 9.170 16.798 ( 9.919 5.568 -7.545) 13.650 17.207 ( -6.085 -1.935 3.456) 7.261 17.372 ( -4.879 -5.744 0.570) 7.558 17.730 ( -2.749 -7.188 0.312) 7.702 18.115 ( 13.821 -12.598 -7.965) 20.327 19.542 ( -3.848 5.450 9.267) 11.418 19.662 ( -4.604 0.274 8.519) 9.687 20.017 ( -1.895 4.380 4.010) 6.233 20.301 ( 7.150 -3.438 -3.730) 8.766 20.832 ( -10.886 2.801 27.468) 29.680 21.429 ( -19.287 -21.792 38.269) 48.077 22.728 ( 10.985 1.896 -24.487) 26.905 22.973 ( 10.574 -4.954 -16.523) 20.233 ======================= Grid point 113 (60/100) ======================= q-point: ( 0.14 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.702 0.668 13.666) 13.700 1.188 ( 4.769 -1.067 2.235) 5.373 1.551 ( -0.211 8.171 1.659) 8.340 1.867 ( 1.469 3.876 3.630) 5.509 1.908 ( 2.555 2.736 -3.257) 4.962 2.001 ( -1.695 -0.642 0.339) 1.844 2.160 ( 5.268 0.531 -3.015) 6.093 2.352 ( -4.561 2.938 3.783) 6.614 2.398 ( -2.811 2.505 -0.174) 3.769 2.601 ( -2.098 0.590 6.182) 6.555 2.655 ( 1.616 1.369 3.051) 3.714 2.767 ( -3.540 -4.345 10.147) 11.592 2.900 ( -2.252 -6.518 0.697) 6.931 2.991 ( 0.907 -5.083 -0.620) 5.201 3.175 ( -3.856 1.643 3.831) 5.678 3.307 ( -1.719 -0.576 2.601) 3.171 3.751 ( -0.193 1.257 -7.355) 7.464 3.936 ( 2.427 -1.866 -2.104) 3.715 4.276 ( 0.043 9.268 -5.937) 11.007 4.319 ( -4.782 6.955 -2.487) 8.799 4.549 ( 3.266 4.679 -2.717) 6.320 4.578 ( 0.706 5.229 -5.660) 7.737 4.710 ( -4.740 -3.383 9.248) 10.929 4.731 ( -4.821 -2.251 12.636) 13.710 5.138 ( 1.645 1.247 -2.877) 3.541 5.305 ( -0.612 2.253 2.388) 3.340 5.417 ( 3.903 -1.323 -5.251) 6.675 5.758 ( 2.554 -7.228 -1.992) 7.920 6.056 ( -0.657 4.288 -0.609) 4.380 6.278 ( -4.804 -3.808 6.450) 8.898 6.634 ( 4.717 -1.816 -6.428) 8.178 6.682 ( 1.308 -4.154 -1.385) 4.570 6.843 ( 0.333 -3.794 1.570) 4.119 6.921 ( -4.867 -4.577 3.617) 7.597 7.319 ( 1.659 2.452 -8.050) 8.577 7.551 ( 3.155 -4.437 -7.885) 9.582 8.438 ( -8.256 14.525 9.361) 19.151 8.768 ( -2.411 5.009 -2.668) 6.166 9.045 ( -1.057 4.631 3.727) 6.038 9.138 ( -1.072 5.724 2.997) 6.550 9.231 ( -5.554 -0.729 0.603) 5.634 9.391 ( 4.775 4.673 -0.316) 6.688 9.626 ( -1.476 1.774 -5.572) 6.031 9.774 ( 4.020 -0.244 -4.603) 6.116 10.251 ( 3.476 1.561 -0.839) 3.902 10.298 ( 3.140 1.125 -0.447) 3.365 10.452 ( -2.742 0.063 1.952) 3.366 10.713 ( 1.947 -5.200 -0.432) 5.570 10.941 ( -0.965 0.649 6.883) 6.980 11.094 ( -5.610 -5.526 8.437) 11.541 11.356 ( 0.257 0.732 -4.997) 5.057 11.558 ( -1.993 -2.056 -2.611) 3.875 11.824 ( 0.529 1.097 5.983) 6.105 11.907 ( -4.382 -2.420 3.486) 6.100 12.077 ( -4.281 5.471 -9.880) 12.078 12.275 ( -0.331 0.141 -6.509) 6.519 15.462 ( -1.726 3.664 8.541) 9.453 15.694 ( -4.298 -2.982 0.351) 5.243 16.402 ( -7.497 13.029 -5.922) 16.156 16.965 ( 7.517 1.376 -2.888) 8.170 17.172 ( -2.415 -3.136 6.376) 7.505 17.347 ( 2.574 -1.919 1.536) 3.559 17.666 ( -2.744 -8.877 -2.192) 9.547 18.306 ( 14.253 -16.373 -9.362) 23.641 19.535 ( -5.098 4.508 7.403) 10.056 19.628 ( -7.189 0.968 8.247) 10.983 20.006 ( -2.474 5.185 2.816) 6.398 20.314 ( -1.754 -3.132 -2.460) 4.352 20.896 ( -9.477 3.307 26.537) 28.372 21.407 ( -16.979 -15.125 31.867) 39.148 22.707 ( 11.063 2.553 -25.113) 27.560 23.018 ( 9.460 -6.247 -15.509) 19.210 ======================= Grid point 114 (61/100) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.700 0.829 4.689) 4.813 1.288 ( 7.215 -2.319 -1.901) 7.813 1.596 ( 1.494 7.090 4.612) 8.589 1.867 ( 1.276 5.902 -11.524) 13.010 1.950 ( 2.003 2.819 1.528) 3.780 2.003 ( 0.141 4.738 7.246) 8.659 2.217 ( 1.819 0.994 -4.884) 5.306 2.312 ( -4.165 -0.689 8.079) 9.116 2.383 ( -1.000 -2.241 4.640) 5.249 2.620 ( -0.861 0.017 4.379) 4.463 2.728 ( 0.991 -2.790 6.532) 7.172 2.799 ( 0.716 -3.582 1.407) 3.915 2.869 ( -3.290 -2.563 5.064) 6.561 2.995 ( 0.053 -1.225 -0.607) 1.368 3.131 ( -4.756 1.700 4.167) 6.547 3.280 ( -4.041 -0.301 3.515) 5.364 3.682 ( 0.189 1.340 -6.486) 6.626 3.977 ( 2.409 -3.773 0.928) 4.572 4.189 ( -2.746 6.694 -4.826) 8.697 4.234 ( -1.150 9.201 -3.599) 9.947 4.562 ( 0.768 3.779 -2.407) 4.545 4.567 ( 1.850 3.772 -3.404) 5.407 4.714 ( -1.908 -2.078 5.660) 6.324 4.797 ( -2.616 -3.111 15.735) 16.251 5.140 ( -0.203 3.312 0.482) 3.353 5.349 ( 2.149 -0.390 2.980) 3.694 5.438 ( 2.025 0.815 -2.934) 3.657 5.793 ( 2.802 -5.998 -1.669) 6.827 6.024 ( -0.251 3.843 -4.053) 5.591 6.247 ( -5.552 -4.123 8.536) 10.986 6.649 ( 3.643 -2.271 -8.314) 9.357 6.688 ( 0.996 -4.056 -1.945) 4.607 6.864 ( -2.078 -3.584 4.049) 5.793 6.892 ( -0.306 -3.500 3.914) 5.259 7.278 ( 2.131 3.047 -8.065) 8.881 7.536 ( 2.627 -4.920 -7.259) 9.155 8.375 ( -9.291 18.229 12.375) 23.912 8.689 ( -0.829 9.111 -3.887) 9.940 9.025 ( -3.961 5.679 -0.682) 6.958 9.066 ( -4.595 -1.020 1.209) 4.859 9.195 ( -1.349 1.684 0.758) 2.287 9.460 ( 2.495 1.516 -2.399) 3.778 9.537 ( -2.421 3.636 -2.845) 5.213 9.778 ( 2.003 0.350 -6.462) 6.774 10.281 ( -0.302 -0.682 0.045) 0.747 10.387 ( 5.731 0.455 1.106) 5.854 10.437 ( 0.666 -2.041 -0.520) 2.209 10.724 ( -0.640 -7.296 -0.516) 7.342 10.956 ( -4.115 0.210 5.976) 7.259 11.053 ( -4.593 -3.783 4.982) 7.761 11.328 ( -0.087 2.839 -1.338) 3.140 11.506 ( -1.487 -2.836 -0.505) 3.242 11.803 ( -3.014 -0.183 -0.429) 3.049 11.868 ( -3.027 -1.328 -4.484) 5.571 12.006 ( 2.694 4.870 4.537) 7.180 12.306 ( 3.012 -2.670 3.142) 5.106 15.481 ( -4.938 3.016 8.894) 10.610 15.651 ( -0.516 -0.946 0.252) 1.106 16.260 ( -1.336 14.564 -6.261) 15.908 16.969 ( -4.136 -4.309 0.598) 6.003 17.205 ( -1.124 -2.333 6.559) 7.052 17.510 ( 10.871 3.473 1.684) 11.535 17.602 ( -0.333 -9.479 -4.707) 10.589 18.452 ( 10.023 -15.748 -9.986) 21.171 19.489 ( -6.075 3.077 6.162) 9.184 19.554 ( -7.992 1.093 8.290) 11.567 19.979 ( -2.631 4.218 1.614) 5.226 20.224 ( -6.170 -2.314 0.341) 6.599 20.941 ( -10.442 3.691 24.059) 26.485 21.384 ( -13.994 -10.043 27.089) 32.102 22.689 ( 11.690 2.918 -25.442) 28.151 23.037 ( 7.681 -7.003 -15.639) 18.778 ======================= Grid point 115 (62/100) ======================= q-point: (-0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -2.640 2.867 -1.458) 4.161 1.426 ( 9.864 -0.120 -5.646) 11.367 1.645 ( -1.519 6.483 3.517) 7.531 1.787 ( 1.117 5.268 -9.648) 11.049 1.971 ( -2.770 5.331 5.935) 8.444 2.035 ( -4.396 9.346 3.369) 10.864 2.236 ( 7.463 -1.006 -3.377) 8.253 2.329 ( -1.846 -2.310 7.579) 8.135 2.406 ( -4.190 -3.489 8.911) 10.447 2.642 ( -0.681 -1.443 2.381) 2.866 2.772 ( -6.017 -5.174 10.707) 13.327 2.816 ( 1.944 -5.773 -1.258) 6.220 2.875 ( -0.005 4.246 1.852) 4.633 2.992 ( 0.911 0.550 -1.447) 1.797 3.073 ( -5.370 0.927 3.944) 6.727 3.231 ( -3.817 -1.954 3.233) 5.370 3.667 ( 3.380 3.115 -2.986) 5.481 4.028 ( 0.059 -1.968 4.020) 4.477 4.154 ( 2.822 6.513 -2.433) 7.504 4.181 ( 1.731 7.664 -8.692) 11.716 4.520 ( -3.503 0.874 -0.752) 3.688 4.588 ( 2.678 4.671 -1.649) 5.631 4.738 ( 0.149 -0.675 2.376) 2.475 4.902 ( -1.484 -3.778 14.941) 15.483 5.145 ( -1.538 5.383 4.522) 7.197 5.419 ( 1.295 -2.707 3.346) 4.494 5.434 ( 0.315 2.247 -1.739) 2.859 5.820 ( 0.435 -6.037 0.628) 6.085 5.987 ( 1.066 3.112 -5.310) 6.247 6.234 ( -4.113 -4.566 8.755) 10.696 6.612 ( 2.493 -1.940 -11.525) 11.950 6.686 ( 0.242 -3.986 -0.972) 4.110 6.876 ( -1.236 -2.709 5.238) 6.025 6.939 ( 0.861 -3.013 3.546) 4.732 7.262 ( 3.657 3.298 -7.015) 8.571 7.523 ( 3.659 -4.414 -8.005) 9.846 8.328 ( -7.546 17.804 13.511) 23.589 8.697 ( 3.810 9.280 -1.436) 10.133 8.919 ( -5.273 2.305 -1.000) 5.841 8.986 ( -4.243 1.774 -1.442) 4.819 9.195 ( 1.201 1.508 0.094) 1.930 9.411 ( 0.260 -3.341 -8.530) 9.164 9.521 ( -1.131 6.888 2.397) 7.380 9.744 ( 0.960 0.561 -6.553) 6.646 10.258 ( -3.070 0.646 2.783) 4.194 10.465 ( 3.375 -3.589 -2.052) 5.337 10.505 ( 5.196 -1.076 1.106) 5.421 10.678 ( -3.797 -7.360 0.374) 8.291 10.903 ( -5.970 0.693 4.049) 7.246 11.018 ( -1.818 -2.383 0.324) 3.015 11.332 ( 0.072 1.304 2.521) 2.839 11.491 ( -0.290 -3.750 0.064) 3.762 11.751 ( -0.493 0.922 -3.077) 3.250 11.802 ( 0.531 -2.338 -3.447) 4.199 12.162 ( 6.262 3.870 9.101) 11.706 12.397 ( 2.580 -1.333 4.457) 5.320 15.449 ( -5.836 4.632 6.826) 10.106 15.673 ( 2.193 -1.193 0.981) 2.682 16.237 ( 2.976 11.674 -2.703) 12.347 16.866 ( -5.596 -5.649 -1.821) 8.158 17.253 ( -0.077 -1.691 6.490) 6.707 17.573 ( 1.612 -5.626 -4.084) 7.137 17.703 ( 6.172 2.877 2.804) 7.364 18.475 ( 3.102 -12.586 -12.886) 18.278 19.434 ( -5.806 2.225 7.199) 9.512 19.510 ( -5.010 0.047 9.601) 10.830 19.939 ( -2.686 2.655 0.929) 3.889 20.109 ( -6.442 -1.739 1.326) 6.803 20.945 ( -11.382 3.730 21.692) 24.779 21.379 ( -12.680 -9.193 26.561) 30.835 22.684 ( 12.484 2.838 -25.250) 28.310 23.021 ( 6.468 -6.712 -16.779) 19.194 ======================= Grid point 116 (63/100) ======================= q-point: (-0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -5.288 6.971 -1.354) 8.854 1.465 ( -3.917 8.007 -3.412) 9.544 1.622 ( 4.290 2.023 -10.178) 11.229 1.751 ( 0.302 5.092 1.072) 5.212 1.925 ( -5.793 6.381 2.425) 8.953 1.999 ( -4.012 3.905 6.307) 8.434 2.351 ( 1.520 -0.591 3.066) 3.472 2.378 ( -4.331 2.681 9.828) 11.070 2.417 ( 5.099 -2.986 1.440) 6.082 2.633 ( -1.906 -1.922 2.092) 3.421 2.723 ( -8.042 -1.145 8.787) 11.966 2.821 ( -0.612 -2.139 -1.769) 2.842 2.895 ( -0.539 -0.919 4.120) 4.256 2.990 ( -2.846 1.490 3.344) 4.637 3.017 ( -0.982 -2.933 0.004) 3.093 3.220 ( 0.753 -4.291 0.385) 4.373 3.744 ( 5.484 5.533 -0.161) 7.793 4.056 ( -0.305 2.320 2.552) 3.462 4.132 ( 2.712 5.771 -8.103) 10.311 4.241 ( 8.257 4.233 -5.233) 10.652 4.433 ( -4.506 2.370 -0.562) 5.122 4.629 ( 1.804 4.887 1.138) 5.332 4.749 ( -0.663 -0.111 1.049) 1.246 4.991 ( -2.446 -3.631 10.692) 11.553 5.173 ( -0.543 4.773 6.386) 7.991 5.390 ( -2.723 2.143 -0.269) 3.476 5.475 ( 0.433 -2.528 2.475) 3.564 5.822 ( -2.013 -7.240 2.943) 8.070 5.968 ( 1.866 2.843 -4.441) 5.593 6.253 ( -1.759 -5.520 7.163) 9.213 6.558 ( 3.410 -0.941 -11.425) 11.960 6.680 ( -0.194 -3.691 -0.467) 3.726 6.888 ( -1.590 -1.446 2.557) 3.340 6.980 ( 0.269 -3.638 3.078) 4.774 7.289 ( 4.880 2.865 -5.071) 7.598 7.533 ( 5.813 -3.812 -9.315) 11.623 8.354 ( -3.103 13.809 14.098) 19.977 8.752 ( 0.510 5.045 -1.586) 5.313 8.847 ( -0.405 4.656 0.768) 4.736 8.911 ( -1.655 3.403 -0.554) 3.824 9.206 ( 0.090 0.910 -2.286) 2.462 9.387 ( 5.683 -3.304 -7.325) 9.843 9.516 ( -1.229 6.712 2.305) 7.202 9.700 ( 0.074 0.555 -4.963) 4.994 10.227 ( -3.219 3.056 3.495) 5.649 10.502 ( 1.348 -1.731 -2.680) 3.463 10.552 ( -3.108 -4.389 2.609) 5.977 10.651 ( 3.142 -4.815 -0.467) 5.769 10.821 ( -5.743 1.608 3.197) 6.767 10.995 ( -0.544 -1.304 -0.208) 1.429 11.373 ( 1.362 -2.031 2.770) 3.695 11.489 ( 0.034 -4.143 0.323) 4.155 11.727 ( 0.557 1.139 -2.976) 3.234 11.808 ( 2.538 -3.091 -2.462) 4.696 12.387 ( 9.343 4.106 6.236) 11.960 12.481 ( 3.661 1.924 1.444) 4.380 15.396 ( -5.078 6.288 4.708) 9.354 15.749 ( 4.334 -3.149 1.868) 5.674 16.310 ( 4.345 6.733 2.294) 8.335 16.755 ( -1.686 -4.587 -5.451) 7.321 17.315 ( 0.476 -2.121 5.771) 6.167 17.581 ( 1.825 -4.920 -1.722) 5.523 17.778 ( -1.070 4.292 3.829) 5.850 18.337 ( -3.297 -8.461 -15.844) 18.262 19.422 ( -3.699 2.429 10.272) 11.185 19.535 ( -2.662 -0.500 10.611) 10.951 19.908 ( -1.164 1.390 1.494) 2.349 20.021 ( -4.125 -1.752 1.592) 4.756 20.914 ( -12.187 3.207 20.282) 23.878 21.391 ( -13.418 -12.165 29.512) 34.626 22.696 ( 13.049 2.367 -24.584) 27.933 22.980 ( 6.467 -5.571 -18.135) 20.043 ======================= Grid point 117 (64/100) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -5.767 10.875 0.818) 12.337 1.290 ( -10.046 15.027 -0.826) 18.094 1.616 ( 1.877 7.843 -4.346) 9.161 1.802 ( 1.860 -0.815 2.210) 3.001 1.829 ( -4.762 0.123 0.130) 4.765 1.976 ( -2.684 2.108 3.248) 4.711 2.318 ( -7.800 1.968 9.772) 12.657 2.423 ( 2.145 1.692 -2.010) 3.392 2.521 ( 2.982 -0.365 1.669) 3.437 2.628 ( -1.798 -1.395 2.590) 3.448 2.646 ( -6.803 1.949 7.211) 10.103 2.800 ( -0.979 2.650 2.705) 3.911 2.878 ( -4.723 -5.704 3.744) 8.298 2.997 ( -1.142 -4.907 3.670) 6.233 3.047 ( 4.578 -0.864 0.610) 4.699 3.240 ( 0.987 -4.912 -0.402) 5.026 3.828 ( 3.715 6.136 -2.256) 7.520 4.037 ( 0.508 3.543 -6.532) 7.449 4.163 ( 5.976 4.022 -3.661) 8.080 4.339 ( 6.261 1.172 -6.493) 9.095 4.373 ( -0.415 9.013 1.094) 9.089 4.674 ( -0.314 4.202 5.530) 6.953 4.739 ( -0.871 -0.185 0.248) 0.925 4.980 ( -6.663 -1.250 5.708) 8.862 5.233 ( 2.858 2.770 -0.501) 4.011 5.334 ( -5.487 2.399 6.094) 8.544 5.479 ( -0.994 -3.102 -0.209) 3.264 5.790 ( -3.623 -8.344 1.655) 9.246 5.985 ( 2.391 2.820 -0.724) 3.768 6.290 ( -0.465 -5.994 4.744) 7.658 6.538 ( 4.898 -0.233 -10.022) 11.157 6.672 ( -0.307 -3.406 -0.047) 3.420 6.868 ( -1.447 -0.906 0.109) 1.711 7.003 ( -0.852 -4.735 3.100) 5.723 7.335 ( 4.469 2.082 -4.868) 6.928 7.561 ( 6.655 -3.678 -10.912) 13.300 8.465 ( 1.517 8.437 12.868) 15.462 8.702 ( -3.535 3.164 0.699) 4.795 8.848 ( -1.225 3.507 2.402) 4.424 8.951 ( 2.800 3.237 2.410) 4.912 9.199 ( 3.635 2.762 -3.932) 6.025 9.440 ( 4.593 -0.415 -5.294) 7.021 9.534 ( 1.902 5.473 -0.128) 5.795 9.671 ( 0.620 0.527 -1.502) 1.708 10.204 ( -2.114 5.457 2.696) 6.443 10.415 ( -6.004 -0.285 -1.611) 6.223 10.553 ( -0.021 -1.540 1.297) 2.013 10.682 ( -2.458 -3.745 2.053) 4.927 10.792 ( 1.598 0.867 0.815) 1.992 10.999 ( -0.186 -1.184 2.982) 3.214 11.415 ( 1.532 -4.452 -0.185) 4.712 11.511 ( 1.781 -5.071 1.151) 5.497 11.709 ( 0.437 1.124 -3.148) 3.371 11.841 ( 2.698 -3.801 -1.420) 4.873 12.528 ( 4.121 6.640 -4.483) 9.009 12.597 ( 7.881 3.312 -2.962) 9.048 15.356 ( -3.305 6.711 4.346) 8.651 15.850 ( 3.621 -7.732 1.745) 8.714 16.406 ( 3.968 5.121 0.688) 6.515 16.742 ( 4.373 -2.627 -2.676) 5.760 17.358 ( -1.002 -2.896 3.411) 4.585 17.599 ( -1.036 -7.581 2.388) 8.016 17.758 ( -1.819 3.828 -0.740) 4.303 18.099 ( -6.410 -3.401 -12.144) 14.146 19.471 ( -2.548 3.962 11.625) 12.543 19.590 ( -1.868 -0.403 10.588) 10.759 19.948 ( 4.028 0.112 2.696) 4.848 19.989 ( -1.520 -1.152 3.274) 3.789 20.865 ( -12.782 2.470 20.606) 24.374 21.411 ( -15.885 -17.948 34.840) 42.288 22.720 ( 12.948 1.726 -23.882) 27.221 22.942 ( 7.725 -4.351 -18.776) 20.764 ======================= Grid point 118 (65/100) ======================= q-point: (-0.14 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -1.311 9.366 5.750) 11.068 1.113 ( -9.394 14.563 3.623) 17.705 1.607 ( -2.997 13.775 3.722) 14.580 1.766 ( 0.113 -3.284 -1.032) 3.444 1.860 ( 2.775 -2.484 -0.378) 3.744 1.964 ( -0.850 1.260 1.119) 1.887 2.252 ( -5.662 1.022 3.416) 6.691 2.416 ( -1.341 2.758 0.259) 3.077 2.556 ( -0.779 2.532 -1.009) 2.834 2.573 ( -4.343 1.812 5.505) 7.242 2.629 ( -2.188 0.161 2.853) 3.599 2.798 ( -6.766 0.603 9.672) 11.819 2.863 ( 2.230 -7.067 0.168) 7.412 2.996 ( -1.129 -7.480 1.517) 7.715 3.155 ( 3.970 0.225 2.089) 4.491 3.255 ( 0.550 -3.765 1.281) 4.015 3.840 ( 1.975 4.697 -5.694) 7.641 3.975 ( 0.742 2.082 -8.500) 8.783 4.261 ( 6.509 5.307 -2.576) 8.784 4.351 ( 1.962 6.842 -2.663) 7.600 4.435 ( 4.950 6.695 -2.719) 8.759 4.708 ( -4.113 -1.357 9.919) 10.823 4.723 ( 0.595 2.877 -3.063) 4.244 4.866 ( -9.305 0.857 3.930) 10.137 5.211 ( -2.054 2.662 -3.900) 5.150 5.331 ( -0.852 1.438 3.875) 4.221 5.440 ( -1.376 -3.741 -2.964) 4.968 5.741 ( -2.059 -8.260 0.932) 8.563 6.028 ( 1.306 2.818 1.662) 3.523 6.312 ( -1.451 -4.911 3.707) 6.322 6.555 ( 6.364 -0.749 -9.408) 11.383 6.668 ( -0.497 -3.341 0.720) 3.454 6.847 ( -0.337 -1.725 -0.938) 1.992 7.003 ( -2.611 -5.432 3.923) 7.191 7.360 ( 3.390 1.617 -5.958) 7.043 7.574 ( 5.620 -3.540 -11.682) 13.439 8.607 ( 1.059 6.870 -0.052) 6.951 8.648 ( -3.495 1.608 12.596) 13.171 8.890 ( 1.814 2.903 6.616) 7.449 9.024 ( 1.696 0.523 3.918) 4.302 9.256 ( 4.301 6.572 -2.350) 8.199 9.444 ( 0.513 1.499 -4.910) 5.160 9.573 ( 4.529 4.017 -3.287) 6.888 9.700 ( 2.381 0.168 -0.017) 2.387 10.202 ( -0.029 6.562 1.492) 6.730 10.296 ( -4.338 1.163 -1.576) 4.760 10.544 ( -2.293 1.700 0.840) 2.976 10.654 ( -2.320 -3.467 4.279) 5.976 10.841 ( 2.124 0.404 0.692) 2.271 11.041 ( -0.305 -3.199 6.596) 7.337 11.427 ( 1.408 -4.269 -3.306) 5.580 11.567 ( 2.821 -5.580 0.430) 6.268 11.697 ( 1.074 1.103 -1.447) 2.113 11.880 ( 1.818 -4.590 0.592) 4.973 12.501 ( 0.541 8.375 -12.493) 15.051 12.602 ( -0.856 4.103 -10.956) 11.730 15.359 ( -1.182 6.260 5.477) 8.402 15.875 ( -2.488 -10.622 0.595) 10.926 16.507 ( 8.891 8.416 -3.180) 12.649 16.799 ( 1.013 -1.297 -0.943) 1.896 17.318 ( -5.685 -1.575 0.869) 5.962 17.505 ( -10.406 -7.267 2.472) 12.931 17.747 ( 4.601 -3.659 -7.877) 9.829 17.985 ( 2.470 -3.611 -1.639) 4.671 19.517 ( -3.263 5.252 10.388) 12.089 19.646 ( -2.561 -0.306 9.604) 9.944 20.004 ( -0.666 1.921 3.891) 4.391 20.123 ( 10.658 -2.262 2.093) 11.094 20.823 ( -12.779 2.226 23.500) 26.842 21.429 ( -18.666 -23.098 39.599) 49.497 22.736 ( 11.854 1.450 -23.879) 26.698 22.937 ( 9.769 -4.040 -18.030) 20.901 ======================= Grid point 119 (66/100) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.729 10.490 -3.154) 10.978 1.138 ( -2.257 -3.482 -4.022) 5.779 1.659 ( 0.211 2.771 -2.380) 3.659 1.776 ( 0.372 -6.351 -0.224) 6.365 1.914 ( 3.842 5.446 1.939) 6.941 1.983 ( 3.139 -0.951 -2.480) 4.112 2.304 ( -3.691 8.913 1.829) 9.819 2.465 ( -3.016 -2.933 2.187) 4.742 2.467 ( -2.933 2.214 3.173) 4.855 2.606 ( -5.866 -8.089 6.861) 12.121 2.668 ( -2.615 6.919 3.360) 8.124 2.717 ( 0.058 4.803 3.791) 6.119 2.799 ( -1.598 -4.790 1.672) 5.320 2.840 ( -0.232 -6.470 0.941) 6.542 3.212 ( 0.064 0.872 2.996) 3.121 3.246 ( 1.337 -2.216 3.061) 4.008 3.869 ( -1.486 2.910 -4.342) 5.435 3.921 ( -0.897 -1.677 -4.309) 4.710 4.461 ( 3.651 5.059 -3.614) 7.210 4.486 ( 2.948 2.962 -3.415) 5.397 4.590 ( 2.650 2.537 -2.412) 4.390 4.638 ( -0.928 -2.754 2.591) 3.893 4.725 ( -6.138 2.272 0.059) 6.545 4.757 ( -7.837 -0.678 4.445) 9.035 5.206 ( -0.801 3.666 -3.618) 5.213 5.295 ( -0.907 -4.399 -3.689) 5.812 5.427 ( 2.002 5.246 0.391) 5.629 5.565 ( 1.029 -7.599 1.197) 7.761 6.137 ( 0.297 3.869 1.971) 4.352 6.221 ( -1.150 -4.051 2.475) 4.884 6.578 ( 3.075 -0.051 -3.537) 4.687 6.603 ( 0.177 -2.325 -0.300) 2.351 6.809 ( -1.728 0.809 0.885) 2.103 6.868 ( -3.025 -4.330 2.745) 5.953 7.407 ( 3.355 3.176 -9.050) 10.161 7.483 ( 3.987 -3.889 -10.396) 11.794 8.690 ( -3.475 5.806 6.205) 9.181 8.765 ( 0.088 -1.488 5.769) 5.959 9.073 ( 2.140 2.872 8.508) 9.231 9.109 ( 1.937 -0.226 7.779) 8.019 9.410 ( 0.412 3.990 -4.006) 5.669 9.442 ( 1.720 1.823 -5.908) 6.418 9.673 ( 1.920 1.011 -1.063) 2.416 9.705 ( 1.333 -1.877 -0.218) 2.312 10.282 ( -0.864 2.453 -0.783) 2.716 10.312 ( 0.116 0.882 -0.427) 0.987 10.534 ( -1.572 3.041 -2.700) 4.360 10.610 ( 1.397 -3.173 -3.020) 4.598 10.911 ( -1.374 1.920 8.362) 8.689 10.983 ( -2.960 -4.536 9.234) 10.705 11.400 ( 1.766 2.149 -3.185) 4.228 11.487 ( 1.950 -5.437 -1.910) 6.083 11.772 ( 1.712 1.902 4.024) 4.769 11.826 ( 0.350 -3.368 4.469) 5.607 12.443 ( -5.754 4.183 -16.850) 18.290 12.479 ( -4.989 0.577 -15.091) 15.904 15.524 ( -2.030 5.866 7.057) 9.399 15.651 ( -3.957 -6.219 5.572) 9.240 16.764 ( 0.466 7.269 -2.296) 7.637 16.853 ( 7.021 -0.779 -3.715) 7.981 17.193 ( -7.267 1.210 3.401) 8.114 17.269 ( -6.226 -4.803 4.375) 8.999 17.663 ( 3.818 3.143 -12.136) 13.105 17.845 ( 9.296 -12.084 -12.534) 19.737 19.630 ( -4.405 2.837 9.519) 10.866 19.663 ( -4.425 -0.465 9.198) 10.218 20.113 ( -0.384 4.683 5.260) 7.053 20.213 ( 3.037 -4.641 2.425) 6.053 20.916 ( -11.687 5.550 30.296) 32.943 21.087 ( -14.603 -11.301 35.265) 39.807 22.783 ( 10.989 3.322 -22.697) 25.435 22.868 ( 10.838 -4.687 -19.979) 23.208 ======================= Grid point 120 (67/100) ======================= q-point: ( 0.14 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 4.930 7.645 0.088) 9.098 1.137 ( 5.305 -5.365 -4.458) 8.764 1.650 ( 1.733 4.324 -2.069) 5.097 1.785 ( 1.940 -7.538 -0.490) 7.799 2.008 ( 3.711 4.063 -0.177) 5.506 2.036 ( 2.588 1.433 1.803) 3.464 2.258 ( -1.300 7.768 -1.523) 8.022 2.401 ( -3.407 -3.322 -1.301) 4.933 2.436 ( -5.131 4.438 6.461) 9.369 2.551 ( -5.758 -6.344 6.150) 10.547 2.675 ( -0.862 2.760 4.473) 5.326 2.741 ( 1.004 -0.748 -3.045) 3.292 2.805 ( -1.045 0.012 8.793) 8.855 2.886 ( 2.809 -4.937 1.858) 5.976 3.219 ( -2.517 2.439 3.722) 5.113 3.273 ( -1.443 -2.410 3.095) 4.180 3.800 ( -1.598 3.250 -4.129) 5.492 3.875 ( -0.749 -3.540 -2.001) 4.135 4.445 ( -1.042 5.922 -6.642) 8.960 4.452 ( -2.625 4.933 -0.873) 5.655 4.587 ( -2.819 -1.089 2.255) 3.771 4.614 ( -5.246 -3.262 4.086) 7.407 4.688 ( 2.463 2.231 -1.208) 3.536 4.707 ( -0.519 0.181 4.022) 4.059 5.186 ( 1.672 3.216 -2.786) 4.571 5.266 ( 0.926 -3.966 -2.238) 4.647 5.479 ( 2.738 5.457 0.652) 6.140 5.609 ( 2.508 -6.683 0.665) 7.169 6.138 ( -1.574 3.361 0.774) 3.791 6.204 ( -3.140 -3.166 3.067) 5.412 6.607 ( 3.405 -0.787 -4.159) 5.432 6.614 ( 2.113 -1.821 -2.087) 3.484 6.794 ( -1.624 -0.188 3.283) 3.668 6.834 ( -3.333 -3.436 3.256) 5.789 7.378 ( 2.393 3.247 -8.659) 9.552 7.458 ( 2.843 -4.230 -8.869) 10.229 8.687 ( -3.660 8.427 7.540) 11.885 8.797 ( -1.435 -2.162 4.038) 4.800 9.143 ( -1.314 4.042 3.942) 5.797 9.198 ( -0.662 -1.005 4.993) 5.136 9.314 ( -4.142 8.044 -4.187) 9.970 9.439 ( 1.969 -2.006 -4.280) 5.121 9.664 ( -0.717 2.974 -1.537) 3.424 9.739 ( 2.805 -3.103 -2.580) 4.915 10.281 ( 1.033 1.930 -0.475) 2.240 10.325 ( 1.379 -0.807 0.316) 1.629 10.474 ( -1.950 3.754 -2.865) 5.110 10.592 ( 0.076 -6.151 -3.454) 7.055 10.957 ( -2.397 1.316 8.694) 9.114 11.004 ( -4.209 -3.115 9.442) 10.796 11.395 ( 1.425 3.169 -3.780) 5.134 11.482 ( -0.134 -4.571 -2.523) 5.223 11.844 ( -0.316 0.865 5.759) 5.832 11.866 ( -1.942 -1.380 5.354) 5.860 12.189 ( -5.172 4.503 -11.559) 13.440 12.257 ( -3.640 -1.957 -10.147) 10.956 15.547 ( -2.811 4.091 7.430) 8.936 15.627 ( -3.601 -3.457 5.185) 7.197 16.693 ( -2.964 13.615 -5.309) 14.911 16.917 ( 1.235 -6.341 -2.917) 7.088 17.135 ( -1.853 0.468 4.112) 4.534 17.229 ( -1.586 -8.144 3.672) 9.073 17.673 ( 8.450 9.541 -10.104) 16.264 17.958 ( 12.914 -15.901 -10.241) 22.902 19.609 ( -6.286 2.430 7.631) 10.181 19.637 ( -6.811 -0.313 8.059) 10.557 20.119 ( -3.500 5.381 4.385) 7.774 20.228 ( -3.283 -4.806 2.604) 6.376 20.988 ( -9.840 5.635 28.035) 30.241 21.146 ( -11.987 -9.618 30.933) 34.541 22.778 ( 10.830 4.229 -23.064) 25.829 22.886 ( 10.299 -5.878 -19.831) 23.106 ======================= Grid point 121 (68/100) ======================= q-point: ( 0.29 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 6.375 6.761 -3.257) 9.846 1.227 ( 9.093 -4.730 -5.870) 11.811 1.703 ( 3.911 5.434 1.529) 6.868 1.862 ( 5.757 -8.028 -0.366) 9.886 2.014 ( 1.027 5.702 -5.659) 8.099 2.087 ( 0.303 0.651 2.162) 2.278 2.234 ( -0.198 3.915 -0.868) 4.015 2.333 ( -4.487 -2.090 2.024) 5.348 2.406 ( -5.178 5.014 10.011) 12.336 2.532 ( -2.629 -6.625 7.633) 10.444 2.695 ( -1.783 0.349 4.012) 4.404 2.728 ( -0.272 -2.776 -0.027) 2.789 2.892 ( 3.128 3.085 3.663) 5.720 2.956 ( 3.110 -2.552 0.224) 4.029 3.186 ( -5.000 3.036 4.349) 7.289 3.248 ( -4.513 -2.532 3.439) 6.213 3.749 ( 0.021 4.909 -2.269) 5.408 3.869 ( 0.886 -5.913 1.154) 6.089 4.350 ( -1.908 7.381 -4.338) 8.771 4.395 ( -1.547 4.839 -4.604) 6.856 4.564 ( -3.588 -2.434 6.372) 7.707 4.572 ( -3.837 -3.052 5.770) 7.571 4.728 ( 2.899 2.277 -2.029) 4.208 4.755 ( 0.989 -0.743 4.204) 4.382 5.212 ( 2.409 3.540 -0.441) 4.305 5.291 ( 2.549 -3.786 0.207) 4.569 5.523 ( 0.195 5.856 2.175) 6.250 5.658 ( 0.990 -6.604 1.964) 6.961 6.101 ( -1.348 3.376 -2.141) 4.219 6.170 ( -3.017 -3.315 2.547) 5.156 6.619 ( 2.599 -0.658 -6.314) 6.860 6.626 ( 1.635 -1.556 -3.512) 4.175 6.810 ( -1.407 -1.048 5.274) 5.558 6.826 ( -0.614 -2.315 5.198) 5.723 7.347 ( 2.647 3.552 -8.092) 9.225 7.433 ( 2.811 -4.618 -7.831) 9.516 8.683 ( -4.825 9.877 8.419) 13.846 8.794 ( -1.507 -0.476 2.397) 2.871 9.089 ( -5.305 3.517 -3.234) 7.140 9.128 ( -3.300 1.822 -1.620) 4.103 9.259 ( -2.669 5.676 0.632) 6.304 9.406 ( -2.076 -5.896 -3.676) 7.252 9.651 ( 0.762 5.791 -1.019) 5.930 9.750 ( 1.893 -3.158 -4.538) 5.844 10.294 ( 0.206 1.935 0.407) 1.988 10.358 ( 0.783 -3.654 0.981) 3.864 10.437 ( 1.572 3.713 -2.045) 4.521 10.561 ( -0.771 -7.442 -1.553) 7.641 10.968 ( -4.212 0.931 6.878) 8.119 10.996 ( -4.669 -1.768 7.269) 8.818 11.389 ( 1.051 2.796 -3.119) 4.318 11.447 ( -1.110 -2.775 -1.730) 3.453 11.805 ( -3.402 0.738 -1.211) 3.686 11.833 ( -3.339 -1.696 -2.676) 4.603 12.120 ( 2.058 5.503 3.343) 6.760 12.228 ( 2.473 -4.567 3.301) 6.154 15.553 ( -3.706 3.508 7.464) 9.041 15.617 ( -2.322 -2.374 4.867) 5.892 16.588 ( -1.698 15.475 -7.158) 17.134 16.852 ( -3.922 -8.238 -3.620) 9.816 17.171 ( 0.844 0.135 4.431) 4.512 17.273 ( 3.107 -10.649 1.225) 11.161 17.786 ( 10.586 13.665 -6.012) 18.301 18.107 ( 11.051 -16.293 -8.102) 21.289 19.542 ( -7.329 1.814 6.576) 10.012 19.564 ( -7.942 -0.266 7.371) 10.839 20.072 ( -5.096 4.447 3.453) 7.594 20.160 ( -6.395 -3.714 3.189) 8.053 21.040 ( -10.501 5.759 24.736) 27.483 21.188 ( -11.557 -8.233 26.330) 29.910 22.769 ( 10.907 4.758 -23.411) 26.262 22.890 ( 9.572 -6.563 -20.126) 23.232 ======================= Grid point 122 (69/100) ======================= q-point: (-0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 3.609 9.882 -5.665) 11.949 1.343 ( 9.176 -7.953 -7.902) 14.488 1.766 ( 0.408 6.240 -0.804) 6.305 1.865 ( -0.604 -0.335 -7.555) 7.586 2.068 ( 3.009 3.861 5.178) 7.125 2.155 ( 8.222 -3.915 0.183) 9.108 2.206 ( -4.265 3.881 0.494) 5.788 2.259 ( -3.063 -1.703 1.734) 3.910 2.439 ( -3.961 4.722 14.073) 15.364 2.575 ( -1.986 -6.411 9.544) 11.667 2.674 ( -4.471 -0.317 4.789) 6.560 2.727 ( -0.454 -3.565 0.170) 3.598 2.962 ( 2.716 2.948 -1.452) 4.264 2.993 ( 2.856 -0.393 -4.200) 5.094 3.114 ( -7.329 2.447 5.710) 9.608 3.173 ( -6.636 -2.982 4.600) 8.607 3.782 ( 3.914 7.097 1.430) 8.230 3.933 ( 3.165 -6.439 3.794) 8.116 4.303 ( 0.562 5.600 -4.574) 7.252 4.315 ( -0.102 4.142 -8.746) 9.678 4.536 ( -4.660 1.240 6.791) 8.329 4.600 ( -0.866 -3.302 7.351) 8.105 4.759 ( 2.697 2.483 -2.320) 4.339 4.820 ( 1.071 -3.424 5.801) 6.820 5.258 ( 1.636 4.920 1.666) 5.446 5.350 ( 2.251 -3.825 1.874) 4.817 5.522 ( -2.907 6.086 3.477) 7.588 5.672 ( -2.478 -7.549 4.115) 8.948 6.061 ( 0.272 3.787 -3.964) 5.489 6.144 ( -1.304 -4.064 0.877) 4.357 6.591 ( 1.383 0.090 -6.847) 6.986 6.617 ( 0.710 -2.329 -2.684) 3.624 6.846 ( -0.360 0.094 5.344) 5.357 6.877 ( 0.441 -2.553 4.528) 5.217 7.338 ( 4.120 3.864 -7.482) 9.375 7.426 ( 4.230 -4.515 -7.818) 9.970 8.652 ( -6.322 11.156 8.303) 15.277 8.790 ( -2.154 -2.085 2.829) 4.122 8.983 ( -1.013 6.939 -2.685) 7.508 9.079 ( -1.949 2.156 -0.626) 2.973 9.200 ( -0.390 1.019 -3.609) 3.771 9.308 ( -3.184 -6.329 -5.309) 8.853 9.655 ( 0.186 5.256 -0.991) 5.352 9.732 ( 0.706 -1.980 -4.676) 5.127 10.299 ( -0.696 3.250 2.091) 3.926 10.381 ( 1.746 -4.104 0.421) 4.480 10.486 ( 3.488 -0.096 -0.211) 3.496 10.536 ( -1.016 -5.106 -0.174) 5.209 10.929 ( -5.315 1.614 4.931) 7.428 10.968 ( -3.883 -2.124 4.562) 6.356 11.372 ( -0.193 2.183 -1.567) 2.694 11.422 ( -0.163 -2.715 -1.347) 3.035 11.754 ( -0.186 -0.195 -2.555) 2.569 11.763 ( -0.401 -1.098 -3.339) 3.538 12.257 ( 5.887 4.671 8.081) 11.035 12.345 ( 4.482 -3.482 6.513) 8.639 15.548 ( -3.928 4.487 7.120) 9.287 15.629 ( -1.546 -3.024 5.465) 6.435 16.511 ( 0.873 12.999 -7.394) 14.980 16.736 ( -2.981 -7.764 -6.180) 10.361 17.235 ( 1.299 1.075 4.572) 4.873 17.344 ( 2.855 -9.561 1.412) 10.078 17.916 ( 7.149 12.294 -4.422) 14.893 18.192 ( 5.649 -13.626 -9.005) 17.282 19.476 ( -6.167 1.667 7.998) 10.236 19.502 ( -5.818 -0.810 8.798) 10.578 20.001 ( -5.025 3.062 2.389) 6.351 20.062 ( -6.429 -2.637 2.606) 7.421 21.045 ( -12.045 5.823 22.670) 26.323 21.192 ( -12.704 -8.103 24.592) 28.841 22.762 ( 11.201 4.632 -23.464) 26.410 22.879 ( 9.182 -6.342 -20.603) 23.431 ======================= Grid point 123 (70/100) ======================= q-point: (-0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 1.769 13.926 -5.418) 15.047 1.419 ( 6.774 -10.950 -8.284) 15.311 1.711 ( -2.363 6.211 -4.087) 7.801 1.799 ( 0.066 -1.099 -4.122) 4.266 2.057 ( -9.132 5.145 -0.356) 10.488 2.086 ( -5.421 2.370 2.304) 6.350 2.339 ( 7.828 -0.467 1.502) 7.984 2.346 ( 7.777 -1.790 2.817) 8.463 2.485 ( -5.762 5.595 15.109) 17.111 2.609 ( -1.104 -0.586 2.230) 2.557 2.634 ( -6.788 -5.283 13.185) 15.743 2.700 ( -2.300 -4.683 -0.518) 5.244 2.967 ( 1.005 2.040 -4.490) 5.033 2.988 ( -0.186 -0.031 -2.845) 2.851 3.037 ( -6.227 3.039 7.764) 10.406 3.117 ( -2.542 -4.441 2.970) 5.917 3.896 ( 4.837 7.791 3.162) 9.700 4.034 ( 2.550 -4.402 4.447) 6.757 4.235 ( 1.417 3.595 -9.296) 10.067 4.279 ( 3.362 -0.473 -8.652) 9.294 4.532 ( -1.713 6.409 5.288) 8.484 4.650 ( -1.093 -3.519 6.508) 7.479 4.790 ( 2.438 4.276 -1.407) 5.120 4.892 ( 0.546 -5.153 5.762) 7.749 5.297 ( 0.875 5.879 1.794) 6.209 5.391 ( -0.025 -2.942 1.787) 3.442 5.488 ( -4.097 5.021 3.969) 7.599 5.644 ( -4.911 -8.840 5.316) 11.425 6.043 ( 1.634 4.100 -3.630) 5.714 6.140 ( 0.576 -5.046 -0.121) 5.080 6.562 ( 1.668 1.287 -5.463) 5.855 6.608 ( 0.503 -2.931 -1.740) 3.446 6.875 ( -1.092 0.534 3.391) 3.603 6.911 ( -0.615 -2.720 3.185) 4.233 7.363 ( 5.553 3.861 -7.355) 9.992 7.448 ( 5.964 -4.125 -8.778) 11.386 8.618 ( -4.804 9.746 8.165) 13.592 8.753 ( -3.911 -3.417 3.174) 6.087 8.989 ( -2.237 6.963 0.203) 7.316 9.019 ( -0.650 4.979 -0.484) 5.045 9.193 ( 1.827 -1.027 -4.396) 4.870 9.273 ( 7.312 -7.014 -5.274) 11.422 9.639 ( -0.644 4.418 -0.877) 4.550 9.696 ( -0.306 -1.132 -3.473) 3.665 10.310 ( -0.215 4.778 2.026) 5.195 10.424 ( 0.877 -5.755 1.383) 5.984 10.505 ( 0.236 1.097 -1.026) 1.521 10.561 ( 2.837 -3.751 0.268) 4.710 10.873 ( -4.718 3.108 4.365) 7.139 10.943 ( -2.699 -3.245 3.936) 5.771 11.362 ( 0.242 1.017 -0.839) 1.341 11.409 ( 0.029 -3.219 -1.108) 3.405 11.738 ( 0.802 0.166 -2.660) 2.783 11.753 ( 1.374 -1.615 -1.853) 2.816 12.465 ( 9.386 2.880 4.641) 10.860 12.500 ( 6.859 -0.332 3.082) 7.527 15.532 ( -4.295 6.259 6.320) 9.878 15.654 ( -1.749 -5.263 6.433) 8.493 16.499 ( 4.470 9.302 -5.743) 11.811 16.656 ( 1.584 -5.475 -6.821) 8.889 17.293 ( 0.221 1.255 4.659) 4.831 17.399 ( 0.824 -8.387 2.653) 8.835 17.948 ( 1.157 9.161 -5.872) 10.943 18.145 ( -0.325 -9.421 -11.678) 15.008 19.476 ( -3.155 2.411 11.392) 12.064 19.517 ( -2.745 -1.380 11.340) 11.749 19.942 ( -3.066 1.734 2.313) 4.214 19.981 ( -4.140 -1.941 2.171) 5.062 21.007 ( -13.835 5.702 22.367) 26.911 21.162 ( -14.865 -9.175 25.624) 31.012 22.762 ( 11.523 3.939 -23.161) 26.168 22.861 ( 9.284 -5.365 -20.943) 23.529 ======================= Grid point 124 (71/100) ======================= q-point: (-0.29 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.782 17.126 -5.010) 17.861 1.427 ( 0.203 -9.999 -6.863) 12.129 1.647 ( -0.301 6.333 -2.593) 6.850 1.787 ( 0.843 -4.490 -2.332) 5.129 1.891 ( -5.595 7.406 -1.215) 9.360 2.004 ( -3.069 -1.825 -1.012) 3.711 2.416 ( -4.661 4.762 7.532) 10.056 2.464 ( 1.043 1.440 2.741) 3.267 2.512 ( -1.919 1.344 5.876) 6.326 2.611 ( 0.250 0.671 2.751) 2.843 2.647 ( -6.453 -3.244 15.369) 16.981 2.670 ( 0.392 -6.450 -0.190) 6.465 2.910 ( -3.693 2.270 -0.951) 4.438 2.942 ( -3.099 -1.020 -0.223) 3.270 3.059 ( 2.245 1.802 3.896) 4.844 3.126 ( 1.379 -4.754 0.968) 5.044 3.967 ( 0.224 6.092 0.182) 6.099 4.056 ( -1.742 -1.858 -1.572) 2.993 4.244 ( 7.759 3.717 -6.279) 10.651 4.315 ( 7.940 -2.751 -6.061) 10.361 4.554 ( 0.171 7.289 1.871) 7.528 4.666 ( -2.081 -3.335 3.671) 5.378 4.821 ( 0.769 5.542 0.869) 5.662 4.925 ( -2.393 -3.949 4.016) 6.120 5.320 ( 1.523 4.460 -2.538) 5.353 5.375 ( -3.215 0.095 2.263) 3.933 5.447 ( -4.067 2.237 3.614) 5.883 5.594 ( -4.946 -9.475 4.487) 11.592 6.058 ( 2.422 4.173 -1.534) 5.063 6.163 ( 1.752 -5.694 0.165) 5.959 6.555 ( 2.054 1.702 -3.993) 4.802 6.604 ( 0.427 -2.876 -0.939) 3.056 6.866 ( -1.921 1.005 1.388) 2.574 6.914 ( -1.726 -3.426 2.503) 4.580 7.399 ( 5.572 3.595 -8.341) 10.656 7.479 ( 6.397 -3.954 -10.274) 12.732 8.633 ( -1.654 6.593 8.269) 10.704 8.723 ( -2.681 -1.671 3.557) 4.757 8.932 ( -2.499 4.153 2.042) 5.259 8.993 ( -2.384 -0.558 1.894) 3.095 9.270 ( 8.186 4.850 -3.042) 9.990 9.385 ( 7.378 -4.802 -4.028) 9.681 9.626 ( 0.108 3.277 -0.444) 3.308 9.669 ( 0.139 -0.855 -1.194) 1.475 10.321 ( -0.090 5.094 0.729) 5.147 10.401 ( -3.431 -2.042 0.234) 3.999 10.538 ( 3.572 1.172 -1.247) 3.961 10.598 ( 0.797 -3.845 -0.274) 3.936 10.846 ( -2.683 3.938 5.256) 7.095 10.940 ( -2.160 -4.286 5.330) 7.172 11.363 ( 1.064 0.106 -1.352) 1.724 11.412 ( 1.331 -3.962 -0.546) 4.215 11.730 ( 0.687 1.149 -2.187) 2.564 11.768 ( 1.457 -2.685 -0.870) 3.177 12.628 ( 6.596 2.793 -4.596) 8.510 12.648 ( 8.382 0.975 -4.302) 9.472 15.509 ( -3.861 7.495 5.870) 10.273 15.672 ( -2.693 -8.131 6.321) 10.645 16.569 ( 7.525 7.717 -4.272) 11.594 16.684 ( 6.272 -3.417 -3.938) 8.156 17.319 ( -1.971 0.626 4.111) 4.602 17.414 ( -2.424 -7.869 3.525) 8.956 17.866 ( -1.777 5.843 -9.588) 11.368 17.996 ( -3.088 -6.032 -11.618) 13.450 19.547 ( -1.931 2.785 12.576) 13.025 19.582 ( -2.081 -0.694 11.742) 11.946 19.952 ( 1.489 0.398 4.376) 4.640 19.967 ( 0.141 -0.969 3.907) 4.027 20.944 ( -15.105 5.383 24.084) 28.934 21.110 ( -17.137 -10.725 29.143) 35.469 22.770 ( 11.636 3.064 -22.725) 25.714 22.848 ( 9.828 -4.243 -20.933) 23.512 ======================= Grid point 125 (72/100) ======================= q-point: (-0.14 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -1.886 15.601 -4.956) 16.478 1.287 ( -7.550 -3.862 -5.018) 9.854 1.656 ( 1.753 1.197 -0.767) 2.257 1.770 ( 1.438 -3.449 -3.726) 5.277 1.858 ( 0.382 5.908 1.645) 6.145 1.968 ( 1.094 -2.725 -2.966) 4.174 2.364 ( -6.640 7.811 6.455) 12.114 2.477 ( -2.268 2.394 4.604) 5.664 2.492 ( -2.391 -2.382 1.883) 3.865 2.643 ( -3.852 -7.874 6.417) 10.863 2.674 ( -0.979 2.307 4.445) 5.103 2.683 ( -1.700 2.528 6.880) 7.524 2.833 ( -2.927 -0.064 -1.307) 3.206 2.877 ( -3.078 -4.065 -0.345) 5.110 3.154 ( 3.476 0.141 2.846) 4.494 3.179 ( 2.352 -2.597 2.377) 4.234 3.932 ( -1.413 3.722 -3.377) 5.221 3.987 ( -1.540 -1.174 -4.980) 5.343 4.367 ( 8.804 4.435 -3.753) 10.549 4.423 ( 7.420 -0.123 -4.335) 8.595 4.569 ( 0.891 5.255 -0.441) 5.348 4.649 ( -2.213 -2.848 2.154) 4.201 4.814 ( -3.056 3.861 1.380) 5.114 4.868 ( -6.679 -1.070 2.836) 7.335 5.275 ( -2.541 3.349 -3.486) 5.462 5.347 ( 0.169 -2.933 -4.267) 5.181 5.409 ( -2.935 4.324 4.428) 6.850 5.557 ( -2.103 -8.642 2.606) 9.268 6.099 ( 2.066 4.076 0.784) 4.636 6.201 ( 1.244 -5.347 1.337) 5.650 6.561 ( 2.169 1.312 -3.390) 4.233 6.605 ( 0.079 -2.609 -0.206) 2.618 6.837 ( -1.820 1.116 0.387) 2.170 6.896 ( -2.563 -4.258 2.552) 5.587 7.415 ( 4.664 3.359 -9.141) 10.798 7.493 ( 5.458 -3.917 -11.104) 12.978 8.696 ( -0.472 2.231 8.296) 8.603 8.706 ( -2.201 1.809 3.232) 4.308 8.959 ( 1.174 3.327 6.823) 7.681 9.015 ( 0.814 -1.624 5.996) 6.266 9.378 ( 5.500 4.946 -2.948) 7.962 9.450 ( 3.509 -1.431 -4.347) 5.767 9.638 ( 1.792 2.462 -0.774) 3.143 9.683 ( 1.244 -1.661 0.345) 2.104 10.319 ( -0.354 3.358 -0.191) 3.382 10.330 ( -3.210 1.505 -0.862) 3.649 10.576 ( 0.949 0.867 -3.556) 3.781 10.595 ( 0.791 -1.612 0.224) 1.810 10.866 ( -1.315 2.752 6.718) 7.377 10.956 ( -2.400 -4.862 7.417) 9.188 11.382 ( 2.363 0.627 -1.980) 3.146 11.449 ( 2.839 -5.056 -0.603) 5.829 11.730 ( 0.867 2.132 -0.191) 2.309 11.790 ( 0.888 -3.594 0.998) 3.835 12.629 ( 1.416 3.709 -12.870) 13.468 12.659 ( 0.938 0.853 -13.025) 13.086 15.504 ( -2.557 7.295 6.353) 10.006 15.669 ( -3.430 -8.605 5.783) 10.920 16.688 ( 8.329 7.147 -3.390) 11.487 16.777 ( 5.341 -1.730 -2.132) 6.005 17.287 ( -5.112 0.213 3.232) 6.052 17.363 ( -6.916 -6.166 4.432) 10.271 17.738 ( 1.050 3.429 -14.362) 14.803 17.862 ( 0.213 -7.042 -10.151) 12.356 19.606 ( -3.109 2.883 10.842) 11.641 19.640 ( -2.782 -0.592 10.406) 10.787 20.042 ( 1.926 1.726 6.089) 6.615 20.079 ( 6.292 -1.856 4.994) 8.245 20.897 ( -14.616 5.263 27.750) 31.802 21.069 ( -17.383 -11.738 33.932) 39.892 22.780 ( 11.350 2.721 -22.536) 25.379 22.851 ( 10.597 -3.877 -20.498) 23.399 ======================= Grid point 147 (73/100) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -4.097 0.000 17.231) 17.711 1.357 ( -0.755 0.000 9.825) 9.854 1.392 ( 6.260 0.000 20.877) 21.795 1.616 ( -2.162 0.000 -0.139) 2.167 1.729 ( 2.054 0.000 -13.710) 13.863 1.800 ( -4.845 0.000 -17.855) 18.501 2.215 ( 10.498 0.000 6.502) 12.349 2.332 ( -8.756 0.000 -3.963) 9.611 2.616 ( 0.481 0.000 2.548) 2.593 2.628 ( -3.816 0.000 3.625) 5.264 2.861 ( -4.723 0.000 9.724) 10.811 3.003 ( -2.589 0.000 10.491) 10.806 3.040 ( 4.496 0.000 -6.381) 7.806 3.187 ( 1.190 0.000 -7.442) 7.537 3.234 ( -4.385 0.000 11.526) 12.332 3.325 ( 0.087 0.000 0.885) 0.889 3.550 ( 0.828 0.000 -0.465) 0.949 3.703 ( 3.399 0.000 -10.655) 11.184 4.035 ( 0.306 0.000 0.219) 0.376 4.097 ( 2.760 0.000 -3.479) 4.441 4.321 ( 4.904 0.000 1.232) 5.057 4.394 ( -4.827 0.000 -7.615) 9.016 5.024 ( -2.221 0.000 9.192) 9.457 5.071 ( -5.232 0.000 8.962) 10.378 5.103 ( 1.219 0.000 6.444) 6.558 5.195 ( -3.776 0.000 -3.350) 5.048 5.414 ( -0.146 0.000 -1.693) 1.700 5.648 ( 6.961 0.000 -19.073) 20.304 6.134 ( -9.829 0.000 10.643) 14.487 6.370 ( 12.464 0.000 -13.339) 18.256 6.598 ( -3.212 0.000 11.051) 11.508 6.742 ( 1.517 0.000 -3.273) 3.608 6.951 ( 0.277 0.000 2.547) 2.562 7.101 ( 0.726 0.000 -12.080) 12.102 7.303 ( -6.678 0.000 10.597) 12.525 7.497 ( 6.720 0.000 -8.736) 11.022 8.310 ( -7.370 0.000 6.835) 10.052 8.512 ( 0.678 0.000 -12.949) 12.967 8.984 ( 1.803 0.000 3.052) 3.545 9.010 ( -2.451 0.000 0.634) 2.532 9.229 ( 5.248 0.000 7.009) 8.756 9.330 ( 1.433 0.000 -3.576) 3.853 9.511 ( -4.778 0.000 2.731) 5.504 9.604 ( 4.188 0.000 -6.175) 7.461 10.179 ( 0.430 0.000 3.487) 3.514 10.223 ( 0.718 0.000 -1.301) 1.486 10.587 ( -6.060 0.000 6.043) 8.558 10.700 ( 5.230 0.000 -5.364) 7.492 11.015 ( 1.073 0.000 11.374) 11.424 11.220 ( 0.655 0.000 -8.004) 8.031 11.518 ( 2.257 0.000 2.742) 3.551 11.576 ( -5.434 0.000 -2.119) 5.832 11.787 ( 1.592 0.000 4.845) 5.100 11.903 ( -2.138 0.000 -6.375) 6.724 12.136 ( 8.333 0.000 1.317) 8.437 12.180 ( -10.474 0.000 -2.711) 10.820 15.446 ( 2.901 0.000 10.484) 10.878 15.692 ( -3.765 0.000 -14.233) 14.723 16.477 ( -22.523 0.000 -0.443) 22.527 16.485 ( 20.169 0.000 -1.499) 20.224 17.417 ( 0.590 0.000 5.242) 5.275 17.502 ( -4.489 0.000 -3.508) 5.697 18.214 ( -9.845 0.000 11.924) 15.463 18.388 ( 15.810 0.000 -5.589) 16.769 19.530 ( -4.633 0.000 10.493) 11.470 19.741 ( 3.399 0.000 -10.138) 10.692 19.892 ( -8.863 0.000 11.816) 14.771 20.135 ( 9.523 0.000 -12.510) 15.723 21.403 ( -14.237 0.000 35.351) 38.110 22.096 ( 13.738 0.000 -33.639) 36.336 22.559 ( -19.243 0.000 12.772) 23.096 22.830 ( 15.156 0.000 -14.175) 20.752 ======================= Grid point 148 (74/100) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.675 0.000 12.470) 12.489 1.416 ( 1.169 0.000 7.736) 7.824 1.521 ( -2.789 0.000 -17.401) 17.623 1.583 ( -4.565 0.000 -1.112) 4.698 1.632 ( 0.054 0.000 -11.260) 11.260 1.719 ( 6.091 0.000 16.958) 18.018 2.133 ( -5.625 0.000 -8.499) 10.192 2.459 ( 8.938 0.000 5.362) 10.423 2.595 ( -2.381 0.000 3.165) 3.961 2.660 ( 0.675 0.000 3.930) 3.987 2.841 ( -4.615 0.000 5.702) 7.335 3.013 ( -2.940 0.000 4.999) 5.799 3.073 ( 0.745 0.000 0.315) 0.809 3.147 ( 1.132 0.000 -5.835) 5.944 3.231 ( -5.851 0.000 8.772) 10.544 3.319 ( -1.192 0.000 0.040) 1.193 3.592 ( 4.085 0.000 -0.688) 4.142 3.649 ( 0.704 0.000 -8.902) 8.930 4.027 ( -1.173 0.000 0.227) 1.195 4.101 ( 2.433 0.000 -5.616) 6.120 4.244 ( -4.281 0.000 -4.489) 6.203 4.421 ( 3.179 0.000 2.125) 3.823 5.050 ( -3.011 0.000 5.723) 6.467 5.052 ( -6.025 0.000 7.976) 9.996 5.137 ( 1.986 0.000 0.514) 2.051 5.221 ( 3.847 0.000 4.825) 6.171 5.444 ( 1.723 0.000 4.651) 4.959 5.645 ( 9.966 0.000 -16.021) 18.868 6.027 ( -9.804 0.000 7.822) 12.542 6.456 ( 9.213 0.000 -14.214) 16.939 6.635 ( -3.561 0.000 10.030) 10.643 6.736 ( 2.409 0.000 -5.233) 5.761 6.994 ( 0.226 0.000 5.945) 5.949 7.025 ( 1.847 0.000 -8.815) 9.007 7.247 ( -8.920 0.000 9.525) 13.049 7.517 ( 4.313 0.000 -9.810) 10.716 8.234 ( -11.300 0.000 16.229) 19.776 8.407 ( -2.462 0.000 -4.929) 5.510 8.956 ( -3.545 0.000 -0.576) 3.592 9.051 ( 2.322 0.000 2.348) 3.302 9.234 ( -3.887 0.000 -9.705) 10.455 9.336 ( 3.112 0.000 -1.970) 3.683 9.466 ( -3.434 0.000 6.374) 7.240 9.631 ( 3.135 0.000 -5.024) 5.922 10.258 ( 4.658 0.000 -3.024) 5.554 10.263 ( 6.338 0.000 1.021) 6.420 10.530 ( -6.010 0.000 6.287) 8.698 10.758 ( 5.563 0.000 -4.507) 7.160 11.109 ( -1.901 0.000 8.096) 8.316 11.112 ( -1.704 0.000 -11.493) 11.618 11.468 ( -4.764 0.000 2.257) 5.272 11.590 ( 1.334 0.000 3.658) 3.894 11.825 ( -0.361 0.000 -5.071) 5.084 11.873 ( 0.233 0.000 5.476) 5.481 11.978 ( -6.970 0.000 0.462) 6.986 12.306 ( 6.405 0.000 3.711) 7.403 15.523 ( -1.027 0.000 -12.096) 12.140 15.604 ( 0.846 0.000 12.923) 12.951 16.109 ( -15.644 0.000 2.744) 15.883 16.850 ( 17.572 0.000 1.264) 17.618 17.404 ( -3.388 0.000 -1.398) 3.665 17.470 ( -2.446 0.000 9.052) 9.377 18.100 ( -8.742 0.000 2.695) 9.147 18.549 ( 10.665 0.000 -13.128) 16.914 19.554 ( -3.823 0.000 11.301) 11.930 19.733 ( 5.107 0.000 -9.100) 10.435 19.804 ( -11.111 0.000 11.335) 15.873 20.152 ( 4.381 0.000 -12.048) 12.820 21.456 ( -14.833 0.000 34.945) 37.963 22.050 ( 14.452 0.000 -33.921) 36.871 22.309 ( -21.171 0.000 19.351) 28.682 22.960 ( 10.453 0.000 -11.944) 15.872 ======================= Grid point 149 (75/100) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 4.295 0.000 -17.949) 18.456 1.445 ( 1.512 0.000 -4.209) 4.473 1.504 ( -6.712 0.000 10.855) 12.763 1.536 ( -5.133 0.000 16.130) 16.927 1.575 ( 11.545 0.000 -13.340) 17.642 1.804 ( -10.375 0.000 3.694) 11.013 2.068 ( 6.902 0.000 -1.593) 7.083 2.607 ( -0.382 0.000 4.716) 4.732 2.615 ( 1.461 0.000 2.953) 3.295 2.685 ( -0.967 0.000 3.336) 3.473 2.813 ( -0.969 0.000 0.962) 1.366 2.974 ( -2.035 0.000 -3.644) 4.173 3.084 ( -4.364 0.000 10.372) 11.253 3.123 ( 0.686 0.000 -3.140) 3.214 3.183 ( -6.290 0.000 6.491) 9.039 3.288 ( -0.812 0.000 -1.882) 2.049 3.592 ( 0.328 0.000 -4.189) 4.202 3.673 ( 6.148 0.000 -4.091) 7.385 4.003 ( -0.796 0.000 -0.898) 1.200 4.098 ( -0.332 0.000 -1.480) 1.517 4.164 ( 1.847 0.000 -5.837) 6.122 4.452 ( -0.958 0.000 -0.518) 1.089 4.989 ( -6.030 0.000 6.484) 8.854 5.067 ( -0.013 0.000 3.644) 3.644 5.227 ( 2.656 0.000 5.348) 5.971 5.298 ( 2.413 0.000 -1.100) 2.652 5.551 ( 0.936 0.000 11.681) 11.718 5.723 ( 10.318 0.000 -9.333) 13.913 5.930 ( -6.720 0.000 5.803) 8.879 6.431 ( 4.000 0.000 -17.643) 18.091 6.647 ( -3.977 0.000 8.613) 9.487 6.751 ( 3.378 0.000 -4.383) 5.534 7.021 ( 5.358 0.000 -6.425) 8.366 7.062 ( -0.345 0.000 8.613) 8.619 7.156 ( -9.370 0.000 9.159) 13.102 7.485 ( 2.784 0.000 -10.952) 11.300 8.198 ( -10.272 0.000 20.454) 22.889 8.347 ( -0.904 0.000 -0.965) 1.322 8.871 ( -4.796 0.000 0.113) 4.797 9.052 ( -4.660 0.000 -10.779) 11.743 9.107 ( 1.263 0.000 2.475) 2.779 9.342 ( 3.302 0.000 -7.694) 8.373 9.474 ( -3.371 0.000 7.250) 7.995 9.620 ( 1.007 0.000 -5.175) 5.272 10.332 ( 6.913 0.000 -4.712) 8.366 10.416 ( 8.218 0.000 0.087) 8.218 10.473 ( -6.445 0.000 7.565) 9.938 10.816 ( 4.904 0.000 -4.536) 6.680 10.971 ( -2.428 0.000 -10.243) 10.527 11.070 ( -6.570 0.000 2.340) 6.974 11.458 ( -0.786 0.000 5.580) 5.635 11.621 ( -0.318 0.000 1.442) 1.477 11.774 ( -7.148 0.000 1.551) 7.315 11.792 ( 0.648 0.000 -3.476) 3.536 12.066 ( 5.404 0.000 8.176) 9.800 12.422 ( 2.118 0.000 3.332) 3.948 15.437 ( 2.733 0.000 -10.353) 10.708 15.588 ( -11.962 0.000 6.746) 13.733 16.078 ( 4.313 0.000 13.625) 14.291 17.114 ( 7.688 0.000 1.385) 7.812 17.355 ( -1.093 0.000 -0.057) 1.095 17.450 ( -9.634 0.000 9.272) 13.371 17.995 ( -0.440 0.000 -2.517) 2.555 18.559 ( 5.285 0.000 -16.790) 17.602 19.565 ( -6.206 0.000 10.625) 12.305 19.726 ( -7.442 0.000 12.091) 14.198 19.755 ( 5.469 0.000 -8.635) 10.222 20.091 ( 0.975 0.000 -11.144) 11.186 21.470 ( -17.345 0.000 33.930) 38.106 22.026 ( 15.901 0.000 -33.474) 37.059 22.168 ( -15.027 0.000 25.541) 29.633 22.982 ( 4.671 0.000 -14.505) 15.239 ======================= Grid point 150 (76/100) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.754 0.000 -0.393) 0.850 1.391 ( 4.472 0.000 -6.232) 7.671 1.431 ( -7.400 0.000 3.400) 8.144 1.533 ( -13.851 0.000 -2.117) 14.011 1.635 ( 1.372 0.000 7.823) 7.942 1.736 ( 9.977 0.000 -5.125) 11.216 2.243 ( 9.445 0.000 3.493) 10.070 2.522 ( -8.907 0.000 -0.623) 8.928 2.646 ( -1.685 0.000 6.791) 6.997 2.720 ( -0.301 0.000 0.775) 0.832 2.813 ( -0.148 0.000 0.157) 0.216 2.885 ( -3.336 0.000 -3.546) 4.869 3.085 ( -7.014 0.000 11.994) 13.895 3.128 ( 2.499 0.000 -1.102) 2.731 3.138 ( -2.989 0.000 4.081) 5.059 3.271 ( 1.383 0.000 -2.879) 3.194 3.598 ( 2.612 0.000 -0.827) 2.740 3.714 ( 2.856 0.000 -6.798) 7.374 4.004 ( 3.235 0.000 -2.482) 4.077 4.035 ( -4.477 0.000 0.796) 4.547 4.228 ( 8.420 0.000 -4.537) 9.565 4.374 ( -5.023 0.000 -3.565) 6.160 4.960 ( -4.511 0.000 8.827) 9.913 5.103 ( 1.955 0.000 -0.504) 2.019 5.299 ( -1.875 0.000 0.454) 1.929 5.308 ( 0.767 0.000 5.091) 5.148 5.659 ( -1.167 0.000 11.066) 11.128 5.837 ( 8.270 0.000 -6.713) 10.652 5.893 ( -2.986 0.000 7.525) 8.096 6.318 ( 3.088 0.000 -19.933) 20.171 6.651 ( -3.851 0.000 8.406) 9.246 6.757 ( 1.020 0.000 -3.244) 3.401 7.057 ( -7.543 0.000 6.895) 10.219 7.100 ( 8.518 0.000 -6.259) 10.570 7.147 ( -1.598 0.000 10.912) 11.028 7.437 ( 3.347 0.000 -11.507) 11.984 8.220 ( -5.628 0.000 16.501) 17.435 8.356 ( 3.178 0.000 -1.852) 3.678 8.798 ( -3.213 0.000 1.293) 3.464 8.893 ( -2.657 0.000 -7.518) 7.973 9.146 ( -0.365 0.000 4.212) 4.228 9.322 ( 2.123 0.000 -8.405) 8.669 9.469 ( -3.216 0.000 6.171) 6.959 9.589 ( 1.055 0.000 -5.356) 5.459 10.390 ( -8.076 0.000 6.785) 10.548 10.428 ( 8.189 0.000 -5.813) 10.042 10.577 ( 5.280 0.000 3.160) 6.153 10.831 ( -1.433 0.000 -10.527) 10.624 10.865 ( 1.949 0.000 -0.390) 1.988 10.948 ( -6.563 0.000 0.165) 6.565 11.512 ( 1.053 0.000 5.025) 5.135 11.613 ( -0.681 0.000 -0.960) 1.177 11.701 ( -3.301 0.000 3.557) 4.852 11.776 ( 1.065 0.000 -3.424) 3.586 12.254 ( 6.641 0.000 6.915) 9.587 12.438 ( -2.136 0.000 0.442) 2.182 15.414 ( -10.216 0.000 4.305) 11.086 15.437 ( 6.744 0.000 -8.997) 11.244 16.390 ( 11.041 0.000 19.879) 22.740 17.072 ( -10.688 0.000 -5.931) 12.223 17.359 ( 1.220 0.000 0.230) 1.241 17.362 ( -2.908 0.000 3.089) 4.242 18.044 ( 2.309 0.000 5.881) 6.318 18.448 ( -0.667 0.000 -16.765) 16.778 19.544 ( -5.251 0.000 10.550) 11.785 19.736 ( -4.373 0.000 12.454) 13.200 19.764 ( 3.838 0.000 -9.004) 9.788 20.009 ( 1.326 0.000 -10.227) 10.312 21.433 ( -18.632 0.000 32.703) 37.638 22.036 ( 17.363 0.000 -32.527) 36.871 22.213 ( -7.498 0.000 29.561) 30.497 22.885 ( 2.433 0.000 -19.839) 19.987 ======================= Grid point 151 (77/100) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -19.733 0.000 6.418) 20.751 1.290 ( -10.640 0.000 13.814) 17.436 1.402 ( -4.678 0.000 3.688) 5.957 1.550 ( 12.632 0.000 -4.401) 13.377 1.708 ( 2.542 0.000 0.323) 2.563 1.842 ( 8.622 0.000 -11.103) 14.058 2.332 ( -7.836 0.000 -4.617) 9.095 2.469 ( 10.008 0.000 4.550) 10.994 2.657 ( -5.259 0.000 9.791) 11.114 2.679 ( -4.026 0.000 1.187) 4.198 2.803 ( -4.127 0.000 1.617) 4.432 2.808 ( -1.630 0.000 2.895) 3.322 3.064 ( -3.792 0.000 7.105) 8.053 3.130 ( -2.458 0.000 4.371) 5.015 3.192 ( 4.451 0.000 -1.004) 4.563 3.279 ( 2.677 0.000 -4.043) 4.849 3.654 ( 3.347 0.000 -0.735) 3.427 3.665 ( -0.238 0.000 -7.350) 7.354 3.981 ( -1.165 0.000 0.206) 1.184 4.074 ( 5.909 0.000 -2.568) 6.443 4.221 ( -6.479 0.000 -4.558) 7.922 4.361 ( 8.073 0.000 -1.708) 8.251 4.971 ( -3.606 0.000 9.468) 10.131 5.121 ( 2.832 0.000 -5.721) 6.384 5.240 ( -7.241 0.000 5.942) 9.367 5.348 ( 0.044 0.000 2.065) 2.065 5.694 ( -4.606 0.000 7.610) 8.895 5.854 ( 2.309 0.000 -7.394) 7.746 5.986 ( 1.506 0.000 10.439) 10.547 6.211 ( 6.093 0.000 -20.802) 21.676 6.652 ( -4.475 0.000 8.488) 9.595 6.741 ( 0.338 0.000 -2.407) 2.430 6.984 ( -5.794 0.000 4.958) 7.626 7.197 ( 7.535 0.000 -6.678) 10.068 7.214 ( -1.659 0.000 10.091) 10.227 7.404 ( 5.185 0.000 -13.368) 14.338 8.275 ( -0.519 0.000 7.552) 7.570 8.431 ( 8.093 0.000 -5.208) 9.624 8.786 ( -0.115 0.000 3.252) 3.254 8.838 ( 1.792 0.000 -2.294) 2.911 9.166 ( -2.773 0.000 6.418) 6.991 9.260 ( -1.167 0.000 -7.044) 7.140 9.482 ( -1.097 0.000 5.637) 5.743 9.572 ( 2.175 0.000 -4.538) 5.032 10.295 ( -8.474 0.000 7.126) 11.072 10.509 ( 4.348 0.000 -4.939) 6.581 10.658 ( -1.264 0.000 6.065) 6.196 10.691 ( -3.196 0.000 -7.946) 8.565 10.861 ( -2.745 0.000 0.910) 2.892 10.933 ( 4.957 0.000 0.773) 5.017 11.581 ( 2.307 0.000 2.480) 3.387 11.583 ( -0.488 0.000 -2.881) 2.922 11.703 ( -0.512 0.000 4.053) 4.085 11.776 ( 2.503 0.000 -3.507) 4.308 12.359 ( -4.402 0.000 -3.591) 5.681 12.417 ( 5.266 0.000 2.792) 5.960 15.303 ( -5.988 0.000 4.706) 7.616 15.528 ( 11.097 0.000 -7.594) 13.447 16.740 ( -12.377 0.000 -14.291) 18.906 16.826 ( 15.272 0.000 18.987) 24.367 17.348 ( -1.493 0.000 1.414) 2.057 17.392 ( 2.359 0.000 -0.483) 2.408 18.142 ( -1.874 0.000 13.745) 13.873 18.232 ( -7.593 0.000 -12.974) 15.033 19.560 ( -4.265 0.000 10.835) 11.644 19.750 ( 4.618 0.000 -9.484) 10.548 19.781 ( -2.700 0.000 12.281) 12.575 19.962 ( 3.085 0.000 -9.588) 10.072 21.383 ( -18.031 0.000 32.286) 36.980 22.079 ( 18.230 0.000 -31.651) 36.526 22.403 ( -1.590 0.000 29.086) 29.130 22.744 ( 4.485 0.000 -23.465) 23.889 ======================= Grid point 152 (78/100) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -12.677 0.000 18.157) 22.144 1.223 ( -11.965 0.000 18.504) 22.035 1.366 ( -4.395 0.000 6.832) 8.123 1.677 ( 2.847 0.000 -4.112) 5.001 1.792 ( 7.173 0.000 2.222) 7.509 1.857 ( 6.086 0.000 -15.321) 16.485 2.167 ( -3.327 0.000 -8.648) 9.266 2.612 ( -4.078 0.000 4.238) 5.882 2.622 ( -3.271 0.000 2.224) 3.955 2.651 ( -1.806 0.000 8.363) 8.556 2.795 ( 1.664 0.000 5.149) 5.411 2.813 ( -2.852 0.000 7.846) 8.348 3.064 ( -1.614 0.000 2.333) 2.837 3.139 ( -1.900 0.000 7.884) 8.110 3.246 ( 2.315 0.000 -2.091) 3.119 3.290 ( 2.875 0.000 -4.955) 5.729 3.600 ( -0.014 0.000 -5.733) 5.733 3.695 ( 3.581 0.000 -4.279) 5.580 4.003 ( 2.950 0.000 -0.201) 2.957 4.076 ( -4.558 0.000 -1.776) 4.892 4.163 ( 5.650 0.000 -3.270) 6.528 4.477 ( 5.831 0.000 -2.470) 6.333 4.987 ( -3.560 0.000 8.567) 9.277 5.098 ( -0.772 0.000 -4.026) 4.100 5.158 ( -7.431 0.000 8.136) 11.019 5.345 ( -0.476 0.000 -2.040) 2.095 5.620 ( -7.709 0.000 2.405) 8.076 5.805 ( 1.614 0.000 -11.260) 11.375 6.104 ( -1.144 0.000 13.792) 13.839 6.187 ( 10.605 0.000 -18.485) 21.311 6.627 ( -6.356 0.000 8.063) 10.267 6.733 ( 0.840 0.000 -1.857) 2.038 6.938 ( -2.495 0.000 2.315) 3.403 7.244 ( 3.919 0.000 -7.810) 8.739 7.268 ( -2.415 0.000 10.122) 10.406 7.393 ( 7.709 0.000 -14.340) 16.281 8.331 ( 1.950 0.000 1.248) 2.315 8.542 ( 11.237 0.000 -12.351) 16.697 8.858 ( 2.652 0.000 7.689) 8.133 8.895 ( 4.963 0.000 -2.111) 5.393 9.162 ( -3.647 0.000 -3.508) 5.060 9.173 ( -2.959 0.000 9.208) 9.671 9.524 ( 0.075 0.000 4.790) 4.790 9.585 ( 3.096 0.000 -4.048) 5.097 10.214 ( -6.757 0.000 6.939) 9.685 10.430 ( -8.191 0.000 -1.286) 8.292 10.640 ( 5.234 0.000 -9.296) 10.669 10.664 ( -4.523 0.000 8.372) 9.516 10.851 ( -0.975 0.000 3.723) 3.849 11.062 ( 6.550 0.000 2.748) 7.103 11.542 ( -0.517 0.000 -4.054) 4.087 11.636 ( 2.202 0.000 0.196) 2.211 11.736 ( 0.162 0.000 2.309) 2.315 11.818 ( 5.142 0.000 -2.246) 5.611 12.223 ( -4.574 0.000 -7.033) 8.390 12.475 ( 0.039 0.000 -1.961) 1.961 15.275 ( -2.262 0.000 6.048) 6.457 15.709 ( 14.638 0.000 -6.565) 16.042 16.392 ( -8.736 0.000 -16.659) 18.810 17.126 ( -0.828 0.000 1.538) 1.746 17.340 ( -0.478 0.000 1.571) 1.642 17.533 ( 14.942 0.000 2.713) 15.186 17.968 ( -10.044 0.000 -2.810) 10.430 18.216 ( -5.568 0.000 17.502) 18.366 19.562 ( -5.878 0.000 10.301) 11.860 19.777 ( 6.937 0.000 -10.209) 12.343 19.855 ( -1.999 0.000 12.403) 12.563 19.953 ( 6.015 0.000 -9.609) 11.336 21.353 ( -16.905 0.000 33.137) 37.200 22.129 ( 17.367 0.000 -31.640) 36.093 22.635 ( -0.109 0.000 21.420) 21.420 22.655 ( 9.406 0.000 -23.024) 24.871 ======================= Grid point 153 (79/100) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 1.429 0.000 25.116) 25.156 1.194 ( -9.271 0.000 19.464) 21.560 1.357 ( -4.264 0.000 8.549) 9.554 1.654 ( -0.526 0.000 -3.008) 3.053 1.806 ( 4.215 0.000 -16.075) 16.619 1.969 ( 5.820 0.000 5.899) 8.287 2.025 ( -0.282 0.000 -13.337) 13.340 2.510 ( -8.295 0.000 0.978) 8.353 2.601 ( -0.987 0.000 1.773) 2.029 2.657 ( -4.401 0.000 7.196) 8.435 2.842 ( -3.717 0.000 11.124) 11.728 2.910 ( 4.439 0.000 3.765) 5.821 3.045 ( -1.160 0.000 0.139) 1.168 3.192 ( -2.394 0.000 11.062) 11.318 3.233 ( 1.160 0.000 -6.837) 6.935 3.307 ( 1.487 0.000 -0.648) 1.622 3.561 ( -0.009 0.000 -2.935) 2.935 3.715 ( 4.570 0.000 -8.475) 9.629 4.024 ( 0.026 0.000 -0.623) 0.624 4.060 ( 3.547 0.000 -1.568) 3.879 4.235 ( 4.387 0.000 -1.203) 4.549 4.507 ( 0.927 0.000 -6.568) 6.633 4.998 ( -3.304 0.000 8.286) 8.921 5.048 ( -6.091 0.000 10.631) 12.253 5.116 ( -2.100 0.000 0.748) 2.229 5.291 ( -2.295 0.000 -4.104) 4.702 5.486 ( -5.738 0.000 -1.430) 5.914 5.719 ( 3.131 0.000 -16.234) 16.533 6.172 ( -5.794 0.000 14.005) 15.156 6.258 ( 12.792 0.000 -15.171) 19.844 6.583 ( -5.477 0.000 8.802) 10.367 6.737 ( 1.360 0.000 -1.934) 2.364 6.932 ( -0.224 0.000 1.485) 1.502 7.197 ( 1.339 0.000 -11.960) 12.035 7.305 ( -4.091 0.000 10.795) 11.545 7.437 ( 8.380 0.000 -10.233) 13.226 8.356 ( -0.563 0.000 0.386) 0.682 8.584 ( 7.531 0.000 -17.894) 19.414 8.941 ( 1.101 0.000 0.709) 1.310 9.010 ( 2.409 0.000 9.415) 9.718 9.088 ( -0.834 0.000 1.569) 1.777 9.255 ( 3.863 0.000 4.982) 6.304 9.550 ( -1.840 0.000 3.421) 3.885 9.599 ( 2.852 0.000 -5.601) 6.286 10.172 ( -3.912 0.000 5.843) 7.032 10.277 ( -5.766 0.000 -0.671) 5.805 10.640 ( -5.757 0.000 7.200) 9.219 10.662 ( 4.924 0.000 -7.089) 8.631 10.901 ( 0.391 0.000 8.961) 8.969 11.197 ( 5.394 0.000 0.131) 5.396 11.498 ( -0.195 0.000 -2.787) 2.794 11.657 ( 0.317 0.000 -2.836) 2.854 11.743 ( -1.016 0.000 2.967) 3.136 11.923 ( 5.998 0.000 -0.309) 6.006 12.080 ( -1.892 0.000 -8.079) 8.297 12.380 ( -6.870 0.000 -3.765) 7.834 15.326 ( 0.812 0.000 7.905) 7.946 15.858 ( 3.963 0.000 -11.878) 12.521 16.212 ( 8.207 0.000 -8.667) 11.937 16.898 ( -18.342 0.000 -3.593) 18.691 17.364 ( 0.866 0.000 2.850) 2.978 17.629 ( -3.144 0.000 -7.185) 7.843 18.071 ( 16.259 0.000 5.685) 17.225 18.248 ( -8.109 0.000 17.051) 18.881 19.539 ( -6.035 0.000 9.923) 11.614 19.778 ( 3.455 0.000 -10.697) 11.241 19.909 ( -4.712 0.000 12.301) 13.172 20.034 ( 11.816 0.000 -11.230) 16.302 21.359 ( -15.440 0.000 34.653) 37.937 22.136 ( 14.764 0.000 -32.745) 35.919 22.691 ( 14.694 0.000 -18.918) 23.955 22.720 ( -8.416 0.000 12.279) 14.886 ======================= Grid point 154 (80/100) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -3.108 -4.321 17.572) 18.361 1.301 ( 3.054 -5.014 16.229) 17.258 1.425 ( -2.844 6.099 2.280) 7.105 1.684 ( 3.810 1.020 -15.566) 16.058 1.762 ( 0.143 7.939 3.060) 8.509 1.922 ( -2.440 6.601 -9.794) 12.060 2.169 ( 5.310 -2.941 4.881) 7.789 2.276 ( -4.687 -4.096 -4.882) 7.910 2.590 ( -1.995 -1.768 4.398) 5.143 2.627 ( -1.221 -0.080 1.157) 1.684 2.800 ( -4.481 -3.292 11.495) 12.769 2.975 ( 1.921 -5.457 -4.455) 7.302 3.009 ( -0.533 -0.311 7.014) 7.041 3.128 ( -1.358 -4.183 -2.355) 4.989 3.272 ( -2.961 1.443 6.579) 7.358 3.328 ( 0.834 0.183 0.180) 0.873 3.615 ( 0.471 5.139 -0.567) 5.191 3.734 ( 4.338 2.763 -8.981) 10.349 4.116 ( -1.061 6.840 0.384) 6.933 4.164 ( 2.419 5.747 -3.028) 6.932 4.358 ( 4.714 3.605 0.371) 5.946 4.428 ( -3.976 3.100 -7.516) 9.051 4.981 ( -2.542 -3.396 9.758) 10.640 5.058 ( -3.907 -3.452 10.522) 11.742 5.094 ( -2.992 1.153 1.789) 3.672 5.216 ( 0.905 1.578 -4.474) 4.829 5.389 ( -1.113 -2.021 0.426) 2.346 5.626 ( 6.484 -2.095 -17.674) 18.942 6.148 ( -8.640 1.451 10.328) 13.543 6.369 ( 10.160 0.002 -11.873) 15.627 6.569 ( -2.357 -2.554 10.326) 10.895 6.714 ( 1.194 -2.571 -3.608) 4.588 6.926 ( 0.050 -2.068 3.568) 4.125 7.076 ( -0.021 -2.300 -9.822) 10.088 7.287 ( -5.309 -1.371 7.884) 9.603 7.462 ( 6.345 -3.095 -8.662) 11.174 8.414 ( -5.624 9.033 7.124) 12.805 8.602 ( -0.175 7.478 -10.863) 13.189 9.017 ( 0.556 3.204 3.357) 4.674 9.054 ( -0.977 3.795 0.266) 3.928 9.247 ( 5.395 1.688 5.741) 8.057 9.328 ( -0.564 -0.170 -2.192) 2.270 9.534 ( -2.293 2.150 1.552) 3.506 9.622 ( 3.395 1.569 -6.107) 7.161 10.188 ( 0.116 0.911 2.555) 2.715 10.221 ( 0.955 0.005 -1.146) 1.492 10.584 ( -5.132 -0.336 5.889) 7.819 10.695 ( 4.144 -0.851 -5.055) 6.592 11.013 ( 0.891 -0.019 10.470) 10.508 11.200 ( 0.564 -1.637 -7.101) 7.309 11.466 ( -0.804 -3.983 4.879) 6.350 11.565 ( -1.275 -1.622 -4.406) 4.865 11.810 ( 2.415 2.027 5.643) 6.464 11.946 ( -3.463 3.889 -7.689) 9.286 12.099 ( 3.362 -2.769 3.885) 5.837 12.195 ( -5.621 0.851 -5.853) 8.160 15.480 ( 2.114 3.061 10.110) 10.773 15.704 ( -3.137 1.017 -12.192) 12.630 16.501 ( -12.380 2.942 1.255) 12.786 16.542 ( 10.921 4.780 -3.404) 12.398 17.370 ( 0.022 -4.065 4.884) 6.355 17.449 ( -3.654 -4.513 -3.254) 6.657 18.092 ( -8.371 -10.782 10.068) 16.961 18.256 ( 13.293 -11.496 -6.397) 18.703 19.594 ( -4.306 5.130 9.106) 11.304 19.743 ( 1.484 0.683 -4.020) 4.339 19.958 ( -6.569 5.159 7.254) 11.063 20.153 ( 8.969 1.602 -10.799) 14.129 21.420 ( -14.327 1.644 35.289) 38.122 22.108 ( 13.586 1.066 -32.967) 35.672 22.406 ( -18.584 -12.935 18.410) 29.183 22.758 ( 15.069 -6.509 -16.996) 23.628 ======================= Grid point 155 (81/100) ======================= q-point: ( 0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -3.740 -6.533 8.709) 11.512 1.379 ( -0.027 -6.954 -1.214) 7.059 1.464 ( 0.293 0.539 6.066) 6.097 1.580 ( 2.312 6.044 -12.080) 13.704 1.779 ( -1.830 9.246 -6.157) 11.258 1.879 ( 3.331 8.921 8.979) 13.088 2.121 ( -3.017 -0.295 -6.426) 7.105 2.395 ( 9.145 -5.467 4.247) 11.470 2.568 ( -2.905 -2.368 4.028) 5.502 2.664 ( 1.774 0.407 2.691) 3.249 2.800 ( -4.791 -2.442 7.949) 9.597 2.952 ( -0.074 -6.184 -3.942) 7.334 3.056 ( -1.667 -0.663 6.531) 6.773 3.091 ( -0.488 -4.008 -1.418) 4.279 3.247 ( -5.222 1.100 5.222) 7.467 3.333 ( -0.492 0.618 0.179) 0.810 3.598 ( -0.852 1.323 -2.311) 2.796 3.743 ( 5.136 6.428 -7.990) 11.469 4.089 ( -2.281 5.690 0.117) 6.131 4.165 ( -0.345 4.755 -1.211) 4.919 4.297 ( -1.690 5.360 -5.930) 8.170 4.448 ( 2.916 2.504 1.600) 4.163 5.003 ( -7.410 -3.838 8.213) 11.709 5.055 ( -1.111 -0.838 9.346) 9.449 5.092 ( 2.346 -2.755 -1.884) 4.079 5.263 ( 4.124 3.159 0.840) 5.263 5.423 ( 1.231 -1.897 6.136) 6.539 5.624 ( 9.555 -1.957 -15.344) 18.182 6.052 ( -9.325 2.368 7.248) 12.046 6.441 ( 7.781 -1.184 -10.982) 13.511 6.599 ( -3.750 -3.134 7.390) 8.859 6.705 ( 2.305 -2.794 -4.210) 5.554 6.974 ( 0.093 -1.737 6.456) 6.687 7.003 ( 0.968 -1.964 -7.015) 7.349 7.236 ( -7.105 -0.848 6.952) 9.976 7.480 ( 4.185 -3.308 -9.362) 10.776 8.372 ( -9.404 11.804 14.754) 21.106 8.495 ( -2.540 7.641 -4.828) 9.389 8.993 ( -3.411 3.388 -0.390) 4.824 9.085 ( 1.731 2.979 1.900) 3.934 9.224 ( -4.556 -0.864 -7.260) 8.615 9.350 ( 2.699 1.312 -2.507) 3.911 9.496 ( -2.770 2.752 4.358) 5.852 9.645 ( 3.142 1.195 -5.099) 6.107 10.239 ( 3.895 -0.846 -0.965) 4.101 10.273 ( 5.728 0.284 -0.808) 5.792 10.533 ( -5.408 0.038 5.337) 7.599 10.751 ( 5.344 -1.092 -3.406) 6.430 11.087 ( -2.496 -1.201 1.730) 3.266 11.106 ( -1.464 -0.760 -4.532) 4.823 11.447 ( -4.308 -2.136 3.546) 5.975 11.553 ( 1.217 -2.889 0.931) 3.270 11.835 ( -1.549 1.111 -5.861) 6.163 11.910 ( -2.161 2.546 4.533) 5.630 11.974 ( -4.168 0.122 2.572) 4.899 12.294 ( 6.496 -1.102 3.881) 7.647 15.558 ( -0.826 3.060 -10.463) 10.933 15.615 ( -0.039 1.021 11.841) 11.885 16.171 ( -14.507 5.836 2.494) 15.835 16.874 ( 16.186 1.915 -0.179) 16.300 17.372 ( -1.701 -2.501 -0.349) 3.045 17.425 ( -1.490 -3.981 7.598) 8.706 17.960 ( -8.862 -12.161 1.499) 15.122 18.430 ( 11.704 -10.670 -10.482) 18.992 19.591 ( -4.563 3.192 8.476) 10.142 19.742 ( -0.179 0.931 0.047) 0.949 19.875 ( -6.492 5.754 3.321) 9.289 20.174 ( 3.700 1.843 -10.414) 11.204 21.470 ( -14.913 1.362 34.711) 37.803 22.063 ( 13.459 0.997 -32.045) 34.771 22.218 ( -19.007 -7.667 20.735) 29.155 22.864 ( 11.284 -8.492 -15.469) 20.946 ======================= Grid point 156 (82/100) ======================= q-point: ( 0.29 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -1.563 -10.237 -1.146) 10.419 1.347 ( -1.238 -6.901 -2.259) 7.366 1.442 ( 3.183 3.749 -11.809) 12.793 1.620 ( -1.326 6.156 8.597) 10.657 1.755 ( 5.011 10.607 -4.441) 12.544 1.969 ( -6.792 11.295 6.479) 14.686 2.070 ( 6.792 0.011 -2.102) 7.110 2.547 ( 1.113 -5.281 3.241) 6.295 2.590 ( 1.441 -2.786 4.883) 5.804 2.700 ( -1.638 1.166 3.944) 4.427 2.787 ( -0.047 -1.416 0.831) 1.643 2.902 ( -0.010 -6.244 -6.508) 9.019 3.063 ( -2.430 -2.826 4.992) 6.230 3.086 ( -2.989 -1.918 5.866) 6.857 3.187 ( -5.468 1.623 4.551) 7.297 3.308 ( -1.263 0.381 -2.007) 2.402 3.569 ( 0.194 0.151 -1.069) 1.096 3.779 ( 6.379 6.586 -8.050) 12.201 4.036 ( -2.614 5.022 -0.475) 5.681 4.124 ( -3.914 1.648 1.661) 4.560 4.275 ( 4.832 8.698 -6.363) 11.811 4.481 ( -0.730 2.553 0.393) 2.684 4.944 ( -5.749 -3.462 7.194) 9.838 5.091 ( 1.544 1.234 -0.612) 2.069 5.169 ( 1.066 -4.055 8.091) 9.113 5.334 ( 2.911 2.587 -0.770) 3.969 5.528 ( 0.927 -2.226 10.940) 11.203 5.700 ( 10.178 -2.119 -9.571) 14.131 5.955 ( -6.790 2.317 5.534) 9.061 6.425 ( 3.473 -0.319 -16.028) 16.403 6.589 ( -3.778 -5.052 7.788) 10.022 6.722 ( 2.369 -2.706 -2.957) 4.656 6.996 ( 3.635 -2.201 -3.695) 5.631 7.042 ( -0.424 -1.840 8.063) 8.281 7.159 ( -6.893 0.349 5.913) 9.089 7.452 ( 2.718 -2.977 -10.370) 11.126 8.332 ( -9.531 11.393 16.210) 21.987 8.448 ( -0.656 8.836 0.925) 8.909 8.910 ( -4.746 3.546 -0.142) 5.926 9.051 ( -5.098 -0.129 -8.828) 10.195 9.130 ( 1.519 1.655 1.140) 2.519 9.336 ( 1.873 -0.162 -7.491) 7.723 9.504 ( -2.621 2.683 6.014) 7.088 9.634 ( 1.109 1.141 -5.275) 5.510 10.304 ( 4.834 -1.959 -2.475) 5.773 10.407 ( 7.909 -0.837 -0.451) 7.966 10.484 ( -4.672 0.456 5.300) 7.080 10.815 ( 3.595 -1.285 -1.715) 4.185 10.957 ( -2.444 -0.280 -10.321) 10.610 11.060 ( -5.822 -0.754 1.936) 6.182 11.440 ( -1.142 -1.627 5.691) 6.028 11.577 ( 0.209 -3.867 0.889) 3.974 11.759 ( -2.889 -0.784 -2.981) 4.225 11.800 ( -3.505 0.173 -0.387) 3.531 12.101 ( 4.560 3.025 9.175) 10.683 12.418 ( 2.410 -0.424 3.875) 4.583 15.484 ( 2.531 4.151 -9.161) 10.371 15.612 ( -9.962 2.042 7.319) 12.529 16.109 ( 1.888 3.411 10.825) 11.506 17.058 ( 2.582 -5.197 -1.546) 6.006 17.383 ( 2.665 3.256 0.337) 4.221 17.433 ( -6.539 -2.052 9.177) 11.453 17.867 ( 1.033 -11.116 -1.470) 11.261 18.481 ( 5.586 -7.450 -14.206) 16.985 19.577 ( -5.413 1.356 8.631) 10.278 19.721 ( -5.516 -0.139 8.542) 10.169 19.817 ( 1.287 4.864 -5.137) 7.191 20.113 ( 0.044 1.726 -9.636) 9.790 21.482 ( -17.173 1.204 33.641) 37.790 22.036 ( 12.405 0.190 -26.513) 29.272 22.113 ( -11.569 -4.181 19.788) 23.299 22.881 ( 6.566 -8.932 -17.620) 20.818 ======================= Grid point 157 (83/100) ======================= q-point: ( 0.43 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -9.433 -10.588 9.295) 16.956 1.330 ( 7.067 -4.828 -8.929) 12.369 1.465 ( 9.696 3.473 -11.215) 15.227 1.538 ( -10.996 6.176 1.415) 12.691 1.857 ( -0.924 11.230 5.009) 12.331 1.893 ( 1.449 11.975 0.702) 12.083 2.238 ( 9.067 -0.572 3.256) 9.651 2.502 ( -6.711 -2.789 -0.829) 7.315 2.631 ( -2.373 -0.958 7.791) 8.200 2.716 ( -0.433 -0.204 1.651) 1.719 2.794 ( 0.523 -0.840 -1.769) 2.027 2.841 ( -0.674 -3.982 -5.137) 6.535 3.063 ( -5.127 -2.168 10.217) 11.635 3.091 ( -0.660 -2.034 4.097) 4.622 3.136 ( -3.312 0.284 2.832) 4.367 3.265 ( 0.617 -1.763 -4.714) 5.070 3.599 ( 2.046 1.641 2.690) 3.757 3.809 ( 4.146 6.810 -9.504) 12.406 4.015 ( 1.977 2.940 -0.866) 3.647 4.061 ( -3.597 2.112 0.712) 4.231 4.339 ( 7.082 8.294 -4.749) 11.895 4.422 ( -4.722 3.997 -1.601) 6.391 4.925 ( -4.123 -2.804 8.786) 10.102 5.110 ( 2.870 -0.235 -4.809) 5.605 5.241 ( -2.348 -2.250 9.264) 9.818 5.362 ( 0.832 2.640 0.013) 2.768 5.628 ( -1.227 -2.916 10.272) 10.749 5.804 ( 7.903 -2.985 -7.025) 10.987 5.914 ( -3.187 2.021 7.337) 8.250 6.314 ( 2.808 -0.254 -18.899) 19.108 6.598 ( -3.757 -4.504 9.259) 10.960 6.726 ( 1.054 -2.899 -3.232) 4.468 7.037 ( -3.609 -2.308 4.748) 6.395 7.073 ( 2.634 -1.916 -1.010) 3.411 7.145 ( 0.168 0.162 6.635) 6.639 7.407 ( 3.287 -2.615 -11.087) 11.856 8.330 ( -5.521 9.712 14.559) 18.351 8.469 ( 2.661 9.575 -1.093) 9.998 8.832 ( -3.537 2.982 0.944) 4.722 8.901 ( -2.682 0.806 -6.212) 6.814 9.166 ( 0.232 1.390 2.438) 2.816 9.298 ( 1.774 -1.955 -7.882) 8.313 9.500 ( -2.942 2.795 5.264) 6.646 9.605 ( 1.161 1.372 -5.184) 5.486 10.354 ( -2.089 -2.128 3.955) 4.953 10.438 ( 2.376 -0.070 -3.562) 4.282 10.568 ( 5.575 -0.851 3.234) 6.501 10.797 ( -4.733 -3.964 -3.577) 7.134 10.882 ( 4.009 2.283 -5.162) 6.923 10.948 ( -6.105 0.163 -0.089) 6.108 11.486 ( 0.168 -2.411 5.570) 6.072 11.578 ( -0.108 -3.346 -0.645) 3.410 11.704 ( -2.383 0.290 1.819) 3.012 11.764 ( 1.086 -1.045 -3.567) 3.873 12.276 ( 5.642 2.030 7.424) 9.543 12.447 ( -1.396 0.785 0.718) 1.756 15.459 ( -7.810 4.106 3.804) 9.609 15.496 ( 4.744 5.140 -7.484) 10.244 16.348 ( 8.104 -2.833 17.196) 19.220 16.944 ( -8.653 -9.280 -7.751) 14.868 17.394 ( -2.695 1.426 4.728) 5.626 17.432 ( 2.016 4.994 -0.884) 5.458 17.958 ( 3.672 -7.317 7.110) 10.843 18.384 ( -1.022 -5.861 -15.796) 16.880 19.560 ( -4.650 1.443 9.777) 10.923 19.716 ( -3.378 -0.885 7.460) 8.237 19.807 ( 2.228 3.101 -4.075) 5.585 20.022 ( -0.041 0.921 -9.177) 9.223 21.448 ( -18.356 1.444 32.523) 37.373 22.048 ( 15.802 0.720 -29.063) 33.088 22.144 ( -7.820 -5.682 26.526) 28.232 22.800 ( 4.607 -7.511 -21.724) 23.443 ======================= Grid point 158 (84/100) ======================= q-point: (-0.43 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -13.007 -8.060 12.756) 19.922 1.289 ( -12.526 5.198 3.986) 14.135 1.410 ( 5.502 -2.632 -7.486) 9.656 1.593 ( 10.308 4.407 -4.190) 11.968 1.812 ( -5.397 10.647 4.485) 12.752 1.985 ( 5.051 8.597 -2.893) 10.382 2.327 ( -6.137 -0.724 -4.220) 7.483 2.455 ( 8.125 -1.671 2.687) 8.719 2.640 ( -5.985 -1.118 10.489) 12.128 2.692 ( -2.743 1.253 1.539) 3.386 2.772 ( -2.113 -1.819 -0.124) 2.791 2.791 ( -1.141 -1.570 -0.538) 2.014 3.076 ( -3.832 0.053 4.119) 5.626 3.084 ( -2.148 -2.310 8.815) 9.363 3.157 ( 1.939 -3.242 1.871) 4.216 3.256 ( 3.323 -2.887 -5.789) 7.272 3.664 ( 0.727 3.442 2.920) 4.572 3.762 ( 2.040 6.238 -10.544) 12.420 4.018 ( -0.181 3.197 -0.728) 3.284 4.091 ( 6.367 2.296 -2.318) 7.154 4.297 ( -6.316 6.299 -1.286) 9.013 4.441 ( 6.943 6.408 -2.789) 9.852 4.941 ( -3.588 -2.616 9.839) 10.794 5.104 ( 3.048 -1.679 -8.608) 9.285 5.235 ( -7.292 0.115 9.398) 11.896 5.377 ( 0.647 2.160 -0.030) 2.255 5.654 ( -4.891 -3.429 7.478) 9.571 5.828 ( 2.992 -2.820 -8.978) 9.874 5.987 ( 0.485 0.483 11.473) 11.494 6.216 ( 6.097 0.473 -19.382) 20.324 6.606 ( -4.756 -4.054 8.997) 10.955 6.713 ( 0.878 -2.621 -2.846) 3.968 6.975 ( -5.607 -0.825 4.339) 7.137 7.136 ( 3.031 -4.057 0.347) 5.076 7.221 ( 2.241 -0.204 3.402) 4.079 7.377 ( 5.251 -2.339 -12.987) 14.202 8.374 ( -1.504 8.634 8.118) 11.946 8.531 ( 6.902 8.505 -4.378) 11.796 8.808 ( -0.542 2.102 2.902) 3.624 8.860 ( 1.933 1.834 -1.178) 2.913 9.161 ( -3.517 -0.283 2.881) 4.555 9.272 ( 2.368 0.525 -6.288) 6.740 9.503 ( -1.743 2.137 5.266) 5.945 9.591 ( 2.024 1.595 -4.036) 4.789 10.296 ( -7.383 0.214 6.323) 9.723 10.478 ( 3.010 -2.288 -4.179) 5.636 10.658 ( -3.904 -2.289 -2.138) 5.006 10.685 ( 2.146 0.502 1.622) 2.737 10.849 ( -4.218 -0.545 0.866) 4.340 10.943 ( 4.718 1.077 -0.257) 4.847 11.529 ( -0.490 -3.615 2.336) 4.332 11.577 ( 2.012 -2.488 -1.728) 3.636 11.685 ( -1.867 -0.578 2.589) 3.244 11.778 ( 3.861 -0.373 -3.689) 5.353 12.384 ( -2.919 2.348 -2.733) 4.637 12.433 ( 4.840 1.447 1.710) 5.333 15.358 ( -6.117 4.999 5.037) 9.368 15.582 ( 10.730 4.735 -7.523) 13.933 16.620 ( -6.163 -9.167 0.866) 11.080 16.733 ( 6.951 -6.277 3.146) 9.880 17.405 ( -0.481 2.350 2.023) 3.138 17.456 ( 2.890 4.803 -1.808) 5.890 18.069 ( -3.891 -6.228 11.261) 13.444 18.182 ( -4.507 -4.461 -10.830) 12.550 19.582 ( -3.605 2.009 10.701) 11.469 19.715 ( 0.328 -1.229 -0.246) 1.296 19.837 ( 1.065 3.064 3.365) 4.674 19.962 ( 2.538 -0.091 -8.534) 8.904 21.401 ( -17.947 1.671 32.277) 36.969 22.090 ( 17.732 0.974 -30.970) 35.701 22.287 ( -5.026 -9.969 29.680) 31.710 22.684 ( 6.143 -5.421 -24.400) 25.739 ======================= Grid point 159 (85/100) ======================= q-point: (-0.29 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -10.252 -1.850 17.239) 20.143 1.152 ( -9.333 1.437 11.757) 15.080 1.452 ( 2.399 1.633 -0.556) 2.955 1.725 ( 4.616 2.734 -0.846) 5.431 1.741 ( -1.362 5.723 -3.645) 6.920 2.003 ( -0.624 4.874 -1.888) 5.264 2.206 ( 0.663 4.447 -9.720) 10.710 2.540 ( -4.481 -5.498 4.757) 8.540 2.602 ( -4.205 -1.964 3.998) 6.125 2.689 ( -2.494 2.770 5.814) 6.906 2.744 ( -1.903 -3.001 4.268) 5.554 2.806 ( 3.147 -0.879 1.780) 3.721 3.034 ( -3.128 -2.932 2.403) 4.915 3.159 ( 0.233 1.438 9.406) 9.518 3.195 ( -0.187 -4.175 1.981) 4.625 3.270 ( 3.636 -2.265 -5.676) 7.111 3.646 ( -0.745 4.941 -3.783) 6.268 3.738 ( 3.172 3.684 -7.009) 8.530 4.051 ( 4.224 4.382 -1.238) 6.211 4.174 ( 2.091 3.495 -4.216) 5.862 4.201 ( -0.399 7.571 1.652) 7.759 4.529 ( 4.922 4.271 -3.551) 7.421 4.960 ( -3.907 -2.648 9.408) 10.525 5.072 ( 0.192 -2.051 -4.809) 5.232 5.164 ( -7.168 0.855 6.698) 9.847 5.369 ( -0.768 1.879 -2.225) 3.012 5.580 ( -7.645 -3.365 2.911) 8.845 5.774 ( 1.479 -3.073 -11.308) 11.811 6.093 ( -0.220 -0.688 9.772) 9.799 6.214 ( 9.594 2.242 -13.162) 16.441 6.577 ( -5.932 -4.147 7.198) 10.208 6.712 ( 1.000 -2.049 -1.470) 2.713 6.922 ( -3.090 -1.223 2.533) 4.179 7.181 ( 1.334 -4.499 -0.397) 4.709 7.272 ( 0.284 -0.508 2.422) 2.491 7.373 ( 7.499 -1.829 -13.398) 15.463 8.414 ( 1.400 7.234 0.951) 7.429 8.632 ( 8.243 7.493 -7.133) 13.228 8.871 ( 2.496 1.503 7.053) 7.631 8.928 ( 4.966 2.476 -0.846) 5.613 9.118 ( -2.899 -1.107 3.157) 4.427 9.256 ( 0.207 4.640 -1.995) 5.055 9.528 ( -0.580 0.617 4.316) 4.398 9.608 ( 2.903 1.807 -3.023) 4.564 10.223 ( -5.819 0.889 5.493) 8.051 10.408 ( -7.246 -1.539 -0.760) 7.447 10.594 ( 1.224 -2.355 -3.710) 4.562 10.742 ( -1.232 4.787 3.537) 6.079 10.816 ( -0.215 -3.185 3.421) 4.679 11.055 ( 5.830 -0.448 2.278) 6.275 11.510 ( -1.113 -3.045 -2.002) 3.810 11.608 ( 2.439 -3.175 -2.312) 4.623 11.691 ( -0.203 -2.082 3.339) 3.940 11.835 ( 5.336 0.130 -2.740) 5.999 12.273 ( -3.324 4.470 -7.596) 9.419 12.486 ( 0.358 0.941 -2.936) 3.104 15.328 ( -2.596 4.807 6.262) 8.310 15.747 ( 13.187 2.997 -7.081) 15.265 16.364 ( -6.534 -1.781 -13.046) 14.699 16.973 ( 2.469 -10.227 7.648) 13.007 17.385 ( -2.660 2.460 -0.230) 3.631 17.563 ( 10.824 0.829 -2.757) 11.200 17.874 ( -10.398 -7.761 -3.461) 13.428 18.190 ( -4.287 -3.164 14.490) 15.439 19.597 ( -4.716 3.171 9.597) 11.154 19.741 ( 3.003 -1.504 -2.123) 3.973 19.900 ( 3.610 2.283 1.268) 4.456 19.968 ( 3.979 1.593 -3.580) 5.584 21.371 ( -16.937 1.738 33.253) 37.358 22.136 ( 17.088 0.721 -31.345) 35.708 22.458 ( -4.842 -14.783 25.266) 29.671 22.612 ( 10.156 -4.171 -23.539) 25.973 ======================= Grid point 160 (86/100) ======================= q-point: (-0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.032 -1.503 21.474) 21.527 1.138 ( -5.699 -1.724 15.755) 16.843 1.467 ( -4.154 7.950 6.030) 10.808 1.686 ( 3.631 1.174 -8.588) 9.397 1.785 ( 3.255 2.135 -5.643) 6.855 1.973 ( -0.609 -0.321 0.699) 0.982 2.138 ( 0.997 8.377 -9.620) 12.795 2.432 ( -8.652 -6.627 1.551) 11.008 2.581 ( -0.985 -1.395 1.761) 2.453 2.665 ( -4.523 0.622 4.835) 6.650 2.767 ( -2.932 -3.872 9.931) 11.055 2.912 ( 5.910 -1.722 -0.618) 6.187 3.005 ( -2.915 -2.938 3.565) 5.462 3.177 ( -1.912 -4.273 -0.792) 4.748 3.240 ( -0.628 2.295 7.799) 8.154 3.297 ( 2.609 -0.940 -1.234) 3.035 3.613 ( 0.744 5.281 -2.790) 6.019 3.735 ( 3.833 2.038 -7.986) 9.090 4.122 ( 4.316 6.003 -2.718) 7.877 4.136 ( -1.225 7.584 0.323) 7.689 4.271 ( 4.828 3.817 -1.241) 6.278 4.537 ( 0.582 2.678 -7.024) 7.539 4.965 ( -4.103 -2.970 8.412) 9.819 5.037 ( -5.110 -1.232 9.400) 10.770 5.119 ( -0.637 0.580 -0.806) 1.180 5.299 ( -3.648 0.735 -3.663) 5.222 5.456 ( -5.584 -2.555 -0.585) 6.169 5.691 ( 3.007 -2.716 -15.180) 15.712 6.159 ( -2.134 -0.759 9.126) 9.403 6.293 ( 8.830 2.957 -9.729) 13.468 6.541 ( -4.499 -3.791 8.231) 10.117 6.717 ( 0.969 -1.934 -1.709) 2.756 6.908 ( -0.831 -1.991 2.079) 2.996 7.159 ( 0.456 -3.399 -7.904) 8.616 7.292 ( -2.505 -1.126 6.583) 7.133 7.412 ( 7.677 -2.275 -10.015) 12.823 8.437 ( -0.219 7.126 0.720) 7.166 8.669 ( 4.700 6.714 -11.902) 14.451 8.977 ( 1.911 3.046 0.314) 3.610 9.024 ( 2.490 1.364 9.458) 9.875 9.118 ( 1.247 2.672 1.129) 3.158 9.286 ( 3.275 3.076 1.770) 4.829 9.544 ( -1.198 -0.122 2.501) 2.776 9.628 ( 2.300 2.161 -4.204) 5.257 10.185 ( -3.022 1.232 4.335) 5.426 10.271 ( -5.454 -0.361 -0.414) 5.481 10.598 ( -0.242 -2.007 1.449) 2.487 10.708 ( -1.727 1.546 -1.613) 2.824 10.897 ( 1.471 0.074 8.960) 9.080 11.177 ( 4.899 -1.697 0.339) 5.196 11.465 ( -1.291 -2.840 -1.336) 3.394 11.613 ( 0.850 -3.851 -3.964) 5.592 11.734 ( 1.034 -0.337 4.216) 4.354 11.935 ( 6.903 -0.229 -0.421) 6.920 12.125 ( -3.788 4.601 -9.404) 11.134 12.388 ( -6.165 0.686 -5.466) 8.267 15.372 ( 0.333 4.232 7.945) 9.008 15.848 ( 2.547 -1.114 -11.139) 11.481 16.266 ( 9.790 5.096 -7.122) 13.135 16.878 ( -15.219 -1.749 -0.274) 15.322 17.343 ( -1.209 -1.319 1.956) 2.651 17.570 ( -4.076 -5.262 -6.668) 9.421 17.933 ( 12.755 -10.825 4.053) 17.213 18.209 ( -6.455 -5.291 11.688) 14.363 19.592 ( -4.519 4.576 8.970) 11.037 19.756 ( 1.415 -0.780 -3.746) 4.080 19.973 ( -1.438 4.380 6.421) 7.904 20.048 ( 10.546 1.290 -8.477) 13.592 21.377 ( -15.494 1.748 34.746) 38.084 22.145 ( 14.730 0.759 -32.322) 35.529 22.521 ( -10.650 -16.296 18.843) 27.093 22.644 ( 14.201 -4.773 -20.017) 25.003 ======================= Grid point 161 (87/100) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -1.811 -5.789 14.851) 16.042 1.203 ( -0.803 -4.249 4.818) 6.474 1.530 ( -2.161 2.194 -2.295) 3.841 1.690 ( 6.550 -1.242 -14.385) 15.855 1.916 ( 0.517 5.036 5.769) 7.675 1.979 ( 2.237 -0.158 0.004) 2.243 2.180 ( -6.090 4.706 1.946) 7.939 2.277 ( 2.039 5.581 -7.267) 9.387 2.569 ( -3.730 -0.354 4.459) 5.824 2.631 ( 1.133 0.732 -1.429) 1.965 2.746 ( -2.157 -2.028 7.559) 8.118 2.832 ( -0.058 -7.692 -2.698) 8.152 2.983 ( 0.226 -2.074 6.249) 6.588 3.044 ( -4.203 -3.221 3.415) 6.300 3.279 ( -1.494 -0.356 3.557) 3.874 3.320 ( 1.577 -1.041 -0.238) 1.905 3.724 ( -3.005 4.697 -0.036) 5.576 3.803 ( 5.249 3.049 -6.310) 8.756 4.275 ( -1.840 7.419 0.362) 7.652 4.310 ( 2.782 7.082 -2.728) 8.083 4.462 ( 3.394 5.677 -0.325) 6.622 4.522 ( -2.141 5.716 -6.466) 8.892 4.889 ( -2.584 -5.223 8.699) 10.470 4.962 ( -4.537 -5.303 5.420) 8.836 5.127 ( -4.319 1.964 2.448) 5.339 5.243 ( 5.595 0.384 -7.608) 9.452 5.355 ( -2.638 -0.456 4.133) 4.925 5.560 ( 5.300 -3.939 -13.486) 15.016 6.194 ( -5.534 2.790 9.283) 11.162 6.370 ( 3.473 -0.204 -6.315) 7.210 6.505 ( 0.988 -2.889 6.316) 7.016 6.640 ( 0.649 -4.235 -4.452) 6.178 6.881 ( -0.809 -1.674 5.294) 5.611 7.008 ( -1.506 -3.943 -4.213) 5.964 7.258 ( -1.915 -1.033 1.436) 2.607 7.380 ( 5.376 -4.281 -8.439) 10.883 8.636 ( -2.734 10.424 6.843) 12.766 8.766 ( -0.703 6.666 -4.795) 8.241 9.111 ( -0.307 5.189 3.544) 6.291 9.151 ( 0.945 4.905 0.893) 5.075 9.294 ( 5.368 2.476 1.347) 6.063 9.328 ( -3.758 0.261 -0.739) 3.839 9.593 ( 0.979 3.115 0.270) 3.277 9.659 ( 1.678 1.570 -4.939) 5.447 10.222 ( -0.659 2.164 0.486) 2.314 10.236 ( 1.386 1.947 -0.908) 2.557 10.561 ( -3.365 -2.234 4.174) 5.809 10.645 ( 2.192 -4.050 -3.812) 5.978 11.028 ( 0.367 1.637 8.518) 8.681 11.169 ( 0.229 -0.930 -3.747) 3.868 11.376 ( -2.196 -4.029 5.130) 6.883 11.503 ( 1.802 -4.064 -6.021) 7.485 11.860 ( 3.293 2.475 7.902) 8.911 12.026 ( 2.310 -1.828 2.939) 4.161 12.056 ( -5.202 3.816 -6.604) 9.232 12.207 ( -4.189 0.230 -10.204) 11.033 15.565 ( 0.376 4.596 8.732) 9.875 15.724 ( -2.116 0.539 -6.565) 6.918 16.603 ( -10.762 6.407 2.062) 12.693 16.671 ( 11.794 6.760 -4.966) 14.472 17.279 ( -2.539 -3.559 3.721) 5.741 17.345 ( -0.822 -4.142 -2.771) 5.051 17.806 ( -6.780 -15.074 6.423) 17.733 17.954 ( 10.247 -15.940 -8.155) 20.630 19.704 ( -4.075 4.626 6.583) 9.019 19.770 ( -0.057 1.550 0.987) 1.838 20.073 ( -3.766 5.207 4.144) 7.646 20.190 ( 7.032 1.488 -6.607) 9.763 21.475 ( -14.584 3.634 35.144) 38.223 22.056 ( -11.871 -12.982 16.906) 24.398 22.180 ( 8.227 0.310 -21.056) 22.608 22.583 ( 14.895 -9.226 -22.628) 28.618 ======================= Grid point 162 (88/100) ======================= q-point: ( 0.14 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -3.790 -7.287 3.752) 9.030 1.224 ( -1.353 -6.224 1.926) 6.655 1.529 ( 4.024 3.156 -0.578) 5.147 1.703 ( 5.768 3.511 -8.894) 11.167 1.913 ( -0.995 1.975 -0.917) 2.394 2.026 ( 2.738 4.124 -2.190) 5.413 2.166 ( -0.825 4.920 4.987) 7.055 2.314 ( 5.800 1.056 0.441) 5.912 2.535 ( -3.966 0.082 5.535) 6.810 2.673 ( 3.066 0.139 -0.330) 3.087 2.742 ( -3.285 -4.252 4.028) 6.716 2.813 ( -0.324 -5.383 -0.279) 5.400 3.001 ( -2.298 -3.446 1.081) 4.281 3.044 ( -1.257 -1.148 7.501) 7.691 3.259 ( -2.960 0.093 2.028) 3.589 3.332 ( 0.124 -0.803 -0.920) 1.227 3.660 ( -3.626 4.396 0.575) 5.727 3.849 ( 5.318 2.626 -5.715) 8.237 4.215 ( -3.998 5.849 -0.351) 7.093 4.294 ( -2.978 6.974 -0.673) 7.613 4.458 ( 1.688 8.919 -5.120) 10.422 4.521 ( 2.113 4.285 1.215) 4.930 4.895 ( -6.192 -6.081 7.497) 11.469 4.965 ( 0.237 -6.110 6.891) 9.213 5.101 ( 0.820 2.349 0.617) 2.564 5.323 ( 6.657 0.725 -3.153) 7.402 5.381 ( -0.376 -0.391 7.253) 7.273 5.569 ( 8.496 -3.021 -12.570) 15.469 6.122 ( -8.154 4.107 5.637) 10.730 6.411 ( 3.341 -1.965 -0.817) 3.961 6.522 ( -2.420 -3.357 -1.094) 4.281 6.627 ( 2.213 -4.213 -2.804) 5.524 6.928 ( -0.494 -2.280 6.756) 7.147 6.952 ( -0.529 -2.585 -2.247) 3.465 7.221 ( -3.066 -0.298 1.150) 3.289 7.390 ( 3.775 -4.834 -8.423) 10.419 8.649 ( -4.570 11.873 11.110) 16.890 8.687 ( -2.834 9.628 -4.325) 10.929 9.083 ( -2.805 4.402 -0.499) 5.244 9.164 ( -2.606 4.275 1.387) 5.195 9.210 ( -3.953 0.050 -4.509) 5.997 9.383 ( 2.283 1.468 -2.133) 3.453 9.569 ( -1.606 3.741 1.176) 4.238 9.672 ( 2.557 0.987 -4.491) 5.261 10.239 ( 2.027 1.181 -0.380) 2.376 10.283 ( 4.657 1.019 -0.828) 4.839 10.513 ( -4.490 -2.271 3.411) 6.079 10.686 ( 3.536 -5.323 -1.308) 6.523 11.082 ( -2.506 0.586 5.678) 6.234 11.098 ( -1.721 0.692 -6.505) 6.764 11.382 ( -2.530 -3.494 5.471) 6.967 11.484 ( 1.453 -3.693 -4.135) 5.731 11.867 ( -4.167 1.604 -6.275) 7.702 11.926 ( -8.783 -0.687 -1.691) 8.971 12.026 ( 3.082 4.304 9.320) 10.719 12.260 ( 6.383 -2.133 4.564) 8.132 15.633 ( -0.661 3.422 -4.808) 5.938 15.647 ( -1.583 1.941 8.165) 8.540 16.351 ( -11.502 10.975 1.016) 15.931 16.905 ( 9.895 0.067 -3.330) 10.441 17.304 ( 0.531 -4.797 6.844) 8.375 17.363 ( 4.394 0.830 -0.255) 4.479 17.650 ( -9.003 -15.489 0.505) 17.922 18.138 ( 13.099 -15.915 -7.510) 21.938 19.668 ( -5.395 3.660 5.786) 8.717 19.763 ( -3.435 0.797 3.772) 5.163 20.012 ( -4.196 6.575 0.006) 7.800 20.211 ( 1.892 1.121 -6.992) 7.330 21.517 ( -15.006 3.176 34.056) 37.351 21.980 ( -14.263 -10.143 21.301) 27.569 22.142 ( 11.051 2.755 -26.470) 28.816 22.641 ( 12.844 -11.557 -22.453) 28.331 ======================= Grid point 163 (89/100) ======================= q-point: ( 0.29 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -1.690 -4.402 0.040) 4.715 1.215 ( 1.527 -4.604 -2.707) 5.555 1.576 ( 4.004 7.184 -9.046) 12.226 1.736 ( 0.356 3.367 2.498) 4.208 1.946 ( 4.966 4.775 -1.751) 7.108 2.056 ( 5.746 -0.877 -4.139) 7.136 2.183 ( -3.876 8.023 6.748) 11.177 2.418 ( 0.580 -4.511 3.446) 5.706 2.552 ( 0.298 0.668 7.333) 7.369 2.680 ( -1.323 -3.994 1.175) 4.368 2.764 ( 1.588 -1.435 -1.139) 2.425 2.817 ( 2.113 -0.560 0.130) 2.190 2.975 ( -1.567 -4.002 1.881) 4.692 3.052 ( -5.072 -1.749 7.029) 8.843 3.219 ( -2.869 0.563 0.972) 3.081 3.299 ( -1.990 -0.646 -2.752) 3.458 3.628 ( -1.238 5.339 3.992) 6.781 3.903 ( 6.409 3.988 -6.146) 9.734 4.134 ( -3.703 2.984 -1.147) 4.892 4.214 ( -4.710 6.847 0.425) 8.322 4.474 ( 4.123 9.511 -4.457) 11.283 4.551 ( -0.704 3.966 1.708) 4.375 4.856 ( -4.815 -4.717 7.862) 10.356 5.028 ( 2.084 -6.513 0.738) 6.878 5.160 ( 1.493 2.828 6.319) 7.082 5.401 ( 3.410 3.707 -1.706) 5.318 5.459 ( 0.848 -4.152 8.406) 9.414 5.642 ( 9.221 -3.081 -9.037) 13.273 6.025 ( -6.597 4.308 4.693) 9.171 6.423 ( -0.289 -1.445 -12.200) 12.289 6.462 ( -1.643 -4.760 7.201) 8.787 6.645 ( 1.518 -4.292 -2.090) 5.010 6.944 ( 1.000 -2.208 0.840) 2.565 6.991 ( -0.510 -2.720 7.050) 7.574 7.173 ( -2.283 1.058 0.121) 2.519 7.370 ( 2.709 -4.505 -8.965) 10.393 8.602 ( -4.727 12.388 3.296) 13.662 8.672 ( -2.665 10.825 8.060) 13.757 9.012 ( -4.589 5.622 -0.934) 7.317 9.045 ( -5.224 -0.342 -4.157) 6.685 9.150 ( 0.315 0.375 -3.708) 3.740 9.351 ( -1.462 1.265 -4.567) 4.959 9.575 ( -0.855 3.600 2.789) 4.634 9.659 ( 1.051 1.018 -4.688) 4.911 10.280 ( 2.651 0.192 -0.291) 2.674 10.388 ( 6.288 -0.572 -0.487) 6.333 10.469 ( -2.955 -2.196 3.101) 4.814 10.722 ( 0.151 -6.996 0.236) 7.002 10.994 ( -1.331 3.217 -6.877) 7.709 11.050 ( -4.790 0.125 2.014) 5.198 11.394 ( -1.181 -2.501 4.907) 5.632 11.480 ( 0.840 -4.782 -1.600) 5.112 11.750 ( -2.122 -0.065 -4.967) 5.402 11.792 ( -4.312 -0.803 -0.161) 4.389 12.181 ( 3.162 4.347 10.672) 11.949 12.400 ( 2.958 -1.368 5.597) 6.477 15.589 ( 1.466 5.075 -5.055) 7.311 15.659 ( -5.539 2.100 7.355) 9.444 16.242 ( -2.364 9.318 4.418) 10.580 16.921 ( -2.930 -7.248 -5.356) 9.477 17.361 ( -2.675 -4.360 8.384) 9.821 17.480 ( 3.505 2.860 -3.587) 5.773 17.601 ( 6.917 -9.678 4.059) 12.569 18.258 ( 7.338 -12.991 -9.905) 17.909 19.621 ( -5.409 2.539 6.738) 9.005 19.718 ( -5.743 -0.245 7.063) 9.106 19.936 ( -1.519 5.977 -4.319) 7.530 20.143 ( -1.776 0.663 -7.109) 7.358 21.526 ( -16.629 3.027 32.807) 36.905 21.932 ( -12.643 -8.200 24.190) 28.500 22.118 ( 13.182 3.564 -28.280) 31.404 22.647 ( 10.301 -12.118 -23.781) 28.609 ======================= Grid point 164 (90/100) ======================= q-point: ( 0.43 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -5.275 -1.888 7.216) 9.136 1.234 ( 7.659 -2.886 -11.344) 13.989 1.588 ( 5.883 6.434 -6.882) 11.107 1.678 ( -6.048 5.128 -1.536) 8.077 2.047 ( 4.980 6.206 1.418) 8.082 2.115 ( -4.680 7.375 2.788) 9.168 2.210 ( 6.978 -1.392 2.827) 7.656 2.392 ( -3.964 -6.399 0.083) 7.528 2.634 ( -1.259 1.308 9.649) 9.818 2.685 ( -0.190 -2.550 2.046) 3.274 2.755 ( 0.698 -2.083 -3.020) 3.734 2.846 ( 0.832 3.967 -4.182) 5.824 2.998 ( -3.430 -3.808 9.049) 10.400 3.015 ( -0.622 -4.636 3.583) 5.893 3.161 ( -3.729 0.116 0.558) 3.773 3.222 ( -2.542 0.093 -3.209) 4.095 3.691 ( 2.123 6.629 6.757) 9.701 3.958 ( 5.031 6.849 -9.432) 12.696 4.076 ( 0.259 0.504 -0.862) 1.031 4.138 ( -3.213 5.222 -0.325) 6.140 4.517 ( -1.718 5.872 0.662) 6.154 4.528 ( 2.992 7.883 -3.037) 8.962 4.858 ( -3.580 -3.435 9.053) 10.323 5.054 ( 2.940 -5.075 -5.114) 7.782 5.241 ( -1.684 2.230 10.227) 10.602 5.424 ( 1.653 3.349 -2.847) 4.696 5.543 ( -0.930 -4.713 8.783) 10.011 5.722 ( 6.560 -4.524 -7.387) 10.866 5.978 ( -3.718 4.050 6.917) 8.836 6.302 ( 0.851 -1.606 -13.905) 14.023 6.494 ( -2.722 -4.129 8.472) 9.810 6.644 ( 1.395 -4.550 -3.733) 6.049 6.979 ( -0.846 -2.344 4.236) 4.915 7.025 ( -1.023 -2.598 3.448) 4.437 7.163 ( 1.681 1.456 0.011) 2.224 7.338 ( 3.261 -3.703 -9.807) 10.979 8.581 ( -4.022 12.665 9.470) 16.318 8.695 ( 0.788 10.144 1.089) 10.232 8.903 ( -4.390 2.538 -0.665) 5.114 8.940 ( -2.688 4.153 -2.931) 5.750 9.165 ( 3.883 -2.177 -2.388) 5.052 9.264 ( -2.695 -1.102 -4.861) 5.667 9.574 ( -1.626 3.745 2.553) 4.815 9.637 ( 1.051 1.475 -4.140) 4.519 10.327 ( 0.030 -0.084 3.315) 3.317 10.419 ( 0.587 -1.449 -2.283) 2.767 10.536 ( 5.503 -2.327 2.010) 6.303 10.681 ( -4.188 -6.588 -0.441) 7.819 10.943 ( 0.008 3.009 -2.576) 3.961 10.966 ( -3.701 1.643 -0.808) 4.129 11.419 ( -0.892 -3.561 4.494) 5.802 11.483 ( 0.616 -5.129 -1.163) 5.295 11.709 ( -0.137 0.124 -0.927) 0.945 11.739 ( -0.261 -1.188 -2.225) 2.536 12.335 ( 4.144 3.409 7.809) 9.475 12.464 ( 0.254 0.489 1.928) 2.005 15.570 ( -5.780 5.764 4.863) 9.502 15.621 ( 3.534 5.725 -4.609) 8.156 16.325 ( 3.234 1.636 9.960) 10.599 16.751 ( -6.432 -8.337 -9.319) 14.062 17.383 ( -1.510 -2.276 6.335) 6.898 17.493 ( 2.589 -1.451 -3.923) 4.919 17.814 ( 6.327 -3.217 8.494) 11.069 18.219 ( -0.104 -9.146 -12.886) 15.802 19.602 ( -3.898 2.350 8.917) 10.011 19.703 ( -3.385 -0.536 7.921) 8.631 19.882 ( 0.466 3.768 -4.512) 5.897 20.035 ( -2.140 0.007 -7.436) 7.737 21.498 ( -17.651 3.418 31.996) 36.701 21.948 ( -10.352 -9.170 26.050) 29.494 22.121 ( 14.394 3.272 -27.563) 31.267 22.601 ( 9.087 -10.527 -25.566) 29.104 ======================= Grid point 165 (91/100) ======================= q-point: (-0.43 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -9.040 0.644 9.388) 13.049 1.283 ( 7.804 -2.223 -12.104) 14.572 1.519 ( -6.355 8.658 -0.384) 10.746 1.690 ( 7.615 3.388 -3.325) 8.973 2.018 ( -7.928 6.989 3.935) 11.278 2.100 ( -4.250 1.266 3.931) 5.926 2.303 ( 2.190 -0.219 -4.147) 4.695 2.397 ( 6.998 -3.260 -1.385) 7.843 2.662 ( -5.060 1.591 8.416) 9.948 2.690 ( -3.082 0.363 5.431) 6.255 2.737 ( 0.273 -3.005 -2.623) 3.998 2.796 ( -1.077 3.502 -2.854) 4.644 2.988 ( -2.863 -5.382 4.655) 7.670 3.082 ( -0.609 -2.669 5.666) 6.293 3.124 ( -2.132 1.447 6.220) 6.732 3.173 ( 1.993 -2.804 -4.935) 6.015 3.793 ( 1.250 8.031 5.880) 10.032 3.900 ( 1.292 6.455 -12.290) 13.942 4.085 ( 0.140 2.387 -0.997) 2.591 4.153 ( 6.333 2.023 -2.732) 7.188 4.450 ( -4.834 7.742 2.691) 9.516 4.590 ( 5.319 7.110 -4.307) 9.869 4.876 ( -3.902 -3.099 9.989) 11.163 5.047 ( 2.664 -3.885 -7.798) 9.110 5.262 ( -5.578 2.651 8.840) 10.784 5.425 ( 1.651 2.267 -3.431) 4.431 5.566 ( -4.812 -4.410 7.495) 9.939 5.734 ( 2.698 -5.632 -8.972) 10.931 6.016 ( -1.158 2.387 10.396) 10.729 6.226 ( 5.079 -0.029 -13.630) 14.546 6.508 ( -4.057 -4.174 8.062) 9.943 6.638 ( 1.943 -4.264 -3.938) 6.121 6.956 ( -4.808 -0.715 4.048) 6.326 7.050 ( 0.679 -3.751 2.301) 4.453 7.216 ( 3.102 -0.041 -0.264) 3.113 7.318 ( 5.101 -3.007 -11.552) 12.981 8.592 ( -3.755 10.686 7.731) 13.713 8.729 ( 3.041 8.338 -1.046) 8.937 8.878 ( 0.439 4.821 2.018) 5.245 8.909 ( 1.800 3.067 0.085) 3.557 9.148 ( -3.112 -1.347 -1.889) 3.882 9.263 ( 6.538 -1.590 -4.250) 7.958 9.567 ( -1.665 3.536 2.739) 4.773 9.628 ( 1.450 1.596 -2.653) 3.419 10.310 ( -4.716 1.262 4.205) 6.443 10.439 ( 2.953 -0.954 -3.468) 4.654 10.575 ( -4.597 -4.984 -1.135) 6.874 10.655 ( 4.411 -3.691 1.525) 5.951 10.875 ( -4.856 3.086 2.714) 6.362 10.977 ( 3.381 1.821 -0.875) 3.939 11.435 ( -1.305 -4.857 2.810) 5.761 11.486 ( 1.246 -5.283 -1.285) 5.578 11.689 ( -1.165 0.552 -0.172) 1.301 11.754 ( 3.586 -1.585 -2.569) 4.688 12.448 ( 0.277 3.274 -2.284) 4.001 12.471 ( 4.056 1.967 0.153) 4.511 15.496 ( -6.017 7.529 5.602) 11.148 15.693 ( 8.016 4.563 -5.545) 10.762 16.461 ( -3.639 -4.328 6.085) 8.307 16.610 ( 5.396 -4.931 -4.608) 8.641 17.413 ( -0.962 -1.527 4.324) 4.686 17.500 ( 2.984 -1.519 -5.485) 6.426 17.934 ( -5.702 -4.993 7.578) 10.718 18.067 ( -0.922 -5.813 -8.742) 10.538 19.638 ( -2.095 3.087 10.353) 11.005 19.709 ( -1.143 0.501 2.691) 2.966 19.891 ( 1.599 1.914 1.036) 2.701 19.955 ( 1.619 -0.538 -6.225) 6.455 21.457 ( -17.739 3.794 32.251) 37.003 22.008 ( -8.694 -12.319 25.614) 29.722 22.151 ( 14.169 2.061 -24.824) 28.657 22.535 ( 9.690 -8.031 -26.456) 29.297 ======================= Grid point 166 (92/100) ======================= q-point: (-0.29 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -6.675 0.869 10.780) 12.709 1.262 ( -2.348 3.887 -2.787) 5.328 1.492 ( 5.123 5.687 -3.081) 8.251 1.785 ( 2.894 -0.512 -1.651) 3.371 1.890 ( -7.785 4.936 3.099) 9.725 2.008 ( -5.332 -2.062 1.170) 5.835 2.328 ( 4.325 5.230 -6.766) 9.584 2.450 ( -2.761 -1.247 0.937) 3.171 2.595 ( -5.001 2.023 3.488) 6.424 2.684 ( -1.867 -2.204 2.171) 3.613 2.733 ( -1.723 -1.130 2.686) 3.385 2.786 ( 1.928 1.565 -0.271) 2.498 2.956 ( -2.979 -4.675 2.059) 5.914 3.113 ( -3.075 -2.750 7.569) 8.621 3.179 ( 0.511 -0.002 8.372) 8.387 3.199 ( 4.324 -3.437 -3.711) 6.654 3.797 ( -0.780 8.152 -4.387) 9.291 3.835 ( 0.991 5.239 -6.214) 8.188 4.132 ( 5.459 2.612 -0.991) 6.132 4.241 ( 5.285 2.850 -2.805) 6.627 4.407 ( -2.084 10.124 2.440) 10.621 4.630 ( 3.314 4.644 -5.346) 7.818 4.889 ( -4.082 -3.215 8.958) 10.356 5.019 ( 0.608 -3.156 -4.565) 5.583 5.206 ( -5.532 3.264 3.262) 7.204 5.411 ( -0.786 1.862 -2.813) 3.464 5.498 ( -7.671 -3.981 4.026) 9.534 5.676 ( 1.060 -5.883 -10.159) 11.788 6.091 ( 0.007 0.791 7.315) 7.358 6.262 ( 8.009 1.366 -5.876) 10.027 6.483 ( -4.667 -3.655 4.562) 7.480 6.648 ( 1.810 -3.860 -2.034) 4.723 6.901 ( -4.029 -0.401 2.921) 4.993 7.076 ( -0.264 -5.089 1.859) 5.425 7.254 ( 1.825 -0.895 -1.547) 2.555 7.323 ( 6.637 -2.688 -11.429) 13.487 8.595 ( 0.023 8.871 1.558) 9.006 8.786 ( 0.932 5.034 3.052) 5.960 8.925 ( 1.921 3.311 5.597) 6.781 8.991 ( 4.004 3.681 1.175) 5.564 9.124 ( 3.561 1.773 -2.417) 4.655 9.336 ( 4.308 2.092 -3.134) 5.723 9.560 ( -1.513 2.555 2.419) 3.830 9.646 ( 2.289 1.485 -1.465) 3.097 10.258 ( -3.408 2.691 2.147) 4.844 10.388 ( -5.829 0.030 -0.712) 5.872 10.534 ( 2.061 -3.394 -2.985) 4.968 10.718 ( -0.195 -5.740 1.167) 5.861 10.852 ( -0.720 5.333 5.718) 7.852 11.052 ( 3.881 0.142 1.860) 4.306 11.422 ( -1.675 -4.745 0.913) 5.114 11.503 ( 2.159 -5.845 -2.557) 6.735 11.682 ( 0.293 0.746 1.394) 1.608 11.811 ( 4.415 -2.123 -1.541) 5.136 12.385 ( -0.630 5.398 -9.357) 10.821 12.509 ( 0.972 1.086 -5.298) 5.495 15.463 ( -3.243 7.474 6.377) 10.347 15.792 ( 6.907 0.137 -5.653) 8.926 16.371 ( 0.005 3.525 -6.135) 7.076 16.783 ( 5.336 -7.276 6.890) 11.352 17.411 ( -2.891 -0.900 2.383) 3.853 17.528 ( 6.644 -4.064 -6.909) 10.412 17.710 ( -12.359 -5.267 -6.107) 14.757 18.071 ( -3.759 -7.794 7.725) 11.600 19.677 ( -2.125 3.715 6.515) 7.795 19.734 ( 0.872 0.662 2.485) 2.715 19.935 ( 6.109 1.549 -3.187) 7.062 20.006 ( 2.888 1.404 3.626) 4.844 21.430 ( -17.078 3.915 33.597) 37.891 22.074 ( -7.507 -15.048 21.137) 27.010 22.190 ( 11.614 -0.114 -20.229) 23.326 22.495 ( 11.861 -6.374 -25.819) 29.119 ======================= Grid point 167 (93/100) ======================= q-point: (-0.14 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.714 -3.388 13.791) 14.219 1.198 ( -4.208 3.768 4.676) 7.333 1.585 ( 5.161 3.768 -4.493) 7.812 1.696 ( -2.622 -2.612 -5.104) 6.304 1.880 ( -0.141 4.113 2.676) 4.909 1.953 ( -1.129 -0.565 0.868) 1.532 2.315 ( 0.331 7.846 -7.203) 10.656 2.330 ( -7.729 -0.514 0.422) 7.758 2.577 ( -0.431 0.966 1.096) 1.523 2.661 ( -2.424 -1.555 0.598) 2.941 2.716 ( -2.785 -0.354 6.614) 7.186 2.833 ( 2.792 -4.442 -2.141) 5.667 2.941 ( -1.475 -3.417 4.402) 5.764 3.092 ( -5.247 -3.317 6.037) 8.659 3.249 ( 1.714 -1.072 1.823) 2.722 3.271 ( 2.395 -1.454 3.361) 4.376 3.759 ( 0.673 7.124 -3.283) 7.873 3.795 ( 1.202 3.360 -6.028) 7.005 4.232 ( 5.523 4.489 -1.274) 7.230 4.293 ( 2.097 5.803 -1.463) 6.341 4.413 ( 1.586 8.874 -0.026) 9.015 4.609 ( 0.222 3.738 -6.829) 7.788 4.883 ( -3.892 -4.225 6.640) 8.780 4.991 ( -3.642 -3.128 4.662) 6.691 5.151 ( -0.098 2.639 -2.097) 3.373 5.317 ( -6.271 0.732 -2.160) 6.673 5.399 ( -4.230 -2.177 0.797) 4.823 5.606 ( 2.473 -5.150 -11.912) 13.212 6.158 ( 0.288 0.913 6.731) 6.799 6.370 ( 6.332 3.843 -4.927) 8.896 6.437 ( -3.709 -5.442 6.395) 9.180 6.657 ( 0.933 -3.690 -2.185) 4.389 6.870 ( -2.203 -1.048 3.292) 4.098 7.064 ( -1.099 -5.246 -1.905) 5.688 7.266 ( 0.320 -1.060 -0.151) 1.118 7.350 ( 6.314 -3.282 -9.492) 11.863 8.619 ( 0.337 8.966 2.024) 9.198 8.798 ( -0.482 4.288 -0.213) 4.320 9.048 ( 3.119 3.290 4.854) 6.642 9.069 ( 3.482 2.669 5.000) 6.652 9.200 ( 5.230 5.059 -2.377) 7.655 9.365 ( 1.004 3.211 -1.475) 3.673 9.561 ( 0.022 2.085 1.535) 2.589 9.671 ( 1.816 1.451 -2.690) 3.555 10.230 ( -1.111 3.232 0.880) 3.529 10.276 ( -4.679 1.111 -0.301) 4.819 10.553 ( 1.349 -2.492 -0.387) 2.860 10.682 ( -2.767 -4.051 -0.577) 4.939 10.932 ( 1.410 3.306 7.962) 8.736 11.141 ( 3.221 -1.506 1.692) 3.937 11.392 ( -2.132 -3.671 0.727) 4.308 11.513 ( 2.334 -5.269 -4.639) 7.398 11.740 ( 2.707 1.017 5.075) 5.841 11.899 ( 5.415 -2.746 1.281) 6.205 12.249 ( -3.303 6.095 -12.368) 14.178 12.404 ( -4.674 0.645 -9.167) 10.310 15.490 ( -0.738 6.495 7.562) 9.996 15.808 ( 0.511 -2.663 -6.440) 6.988 16.422 ( 11.058 9.256 -5.087) 15.292 16.833 ( -6.654 -2.352 3.566) 7.907 17.340 ( -6.067 0.898 1.411) 6.294 17.441 ( -5.585 -5.223 -6.627) 10.119 17.675 ( 10.455 -12.698 -1.625) 16.528 18.017 ( -7.658 -12.032 4.437) 14.937 19.697 ( -1.834 4.532 6.112) 7.827 19.760 ( 0.121 0.945 1.255) 1.576 20.054 ( 4.994 3.050 0.438) 5.868 20.088 ( 4.721 2.252 0.368) 5.243 21.435 ( -15.711 3.883 35.049) 38.605 22.098 ( -8.032 -14.755 15.436) 22.815 22.205 ( 7.904 -1.698 -16.958) 18.786 22.516 ( 14.496 -6.891 -24.085) 28.943 ======================= Grid point 168 (94/100) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.323 0.097 6.788) 6.916 1.094 ( -2.459 -5.839 -0.950) 6.406 1.561 ( 0.595 2.383 -3.970) 4.668 1.633 ( 4.635 -3.717 -10.047) 11.673 1.973 ( 0.754 1.270 2.582) 2.974 1.983 ( 2.515 0.216 1.162) 2.779 2.337 ( -3.715 7.987 2.321) 9.110 2.410 ( -0.280 3.742 -4.603) 5.939 2.555 ( -2.155 0.206 5.207) 5.639 2.660 ( -0.760 -5.370 2.091) 5.812 2.665 ( 1.560 -0.160 -5.423) 5.645 2.710 ( -1.080 -2.031 -2.204) 3.186 2.955 ( -2.105 0.283 9.366) 9.603 2.989 ( -4.463 -2.300 7.562) 9.077 3.273 ( 0.002 0.110 1.891) 1.894 3.290 ( 1.510 -1.411 0.513) 2.129 3.805 ( -2.118 2.836 -1.088) 3.703 3.837 ( 1.503 -0.009 -3.673) 3.968 4.403 ( 1.010 3.969 -1.386) 4.324 4.419 ( 2.582 2.553 -2.759) 4.561 4.584 ( 0.244 5.700 1.889) 6.010 4.640 ( 0.316 3.426 -2.588) 4.306 4.782 ( -3.591 -3.053 4.944) 6.830 4.842 ( -3.960 -5.765 1.095) 7.080 5.175 ( -3.264 2.414 1.446) 4.309 5.223 ( 0.735 -1.926 -2.145) 2.975 5.386 ( 2.004 3.153 -1.812) 4.152 5.470 ( 4.340 -4.398 -8.169) 10.243 6.262 ( -3.010 3.513 8.366) 9.560 6.336 ( -2.476 -3.106 5.292) 6.617 6.485 ( 3.413 1.403 -3.510) 5.092 6.548 ( 1.032 -4.079 -5.134) 6.638 6.873 ( -1.793 1.090 4.693) 5.141 6.925 ( -2.129 -3.539 1.188) 4.298 7.254 ( 1.432 0.886 -4.316) 4.633 7.298 ( 3.810 -3.179 -7.394) 8.904 8.806 ( -1.218 5.097 5.021) 7.258 8.849 ( -0.542 0.940 1.486) 1.840 9.209 ( 0.331 3.416 4.472) 5.637 9.230 ( 2.795 1.742 3.331) 4.684 9.336 ( -0.379 1.130 -2.578) 2.840 9.341 ( 0.164 0.722 -3.263) 3.346 9.651 ( 1.017 2.092 -0.347) 2.351 9.675 ( 0.618 -0.160 -2.252) 2.341 10.279 ( -0.874 3.206 0.597) 3.376 10.299 ( 0.595 2.484 -1.096) 2.780 10.499 ( -1.528 -2.181 0.074) 2.664 10.540 ( 1.142 -5.016 -3.490) 6.217 11.081 ( -1.104 3.193 7.893) 8.586 11.145 ( -1.179 -2.217 4.337) 5.012 11.334 ( 0.139 1.043 -1.379) 1.734 11.406 ( 2.304 -4.714 -5.639) 7.703 11.911 ( 2.992 2.391 9.514) 10.257 11.965 ( 2.443 -2.799 8.975) 9.714 12.150 ( -5.039 3.583 -12.679) 14.106 12.199 ( -4.315 -1.184 -12.803) 13.562 15.658 ( -1.046 3.861 5.690) 6.956 15.716 ( -1.617 -1.501 0.328) 2.231 16.740 ( -3.675 5.335 0.281) 6.484 16.779 ( 6.860 2.132 -3.364) 7.932 17.260 ( -6.059 2.555 3.642) 7.516 17.320 ( 0.220 0.888 -0.819) 1.228 17.525 ( -2.676 -8.101 -0.194) 8.533 17.630 ( 8.030 -13.441 -8.925) 18.022 19.776 ( -3.209 2.098 4.626) 6.008 19.793 ( -1.542 0.341 3.145) 3.519 20.163 ( -0.376 3.161 1.713) 3.615 20.202 ( 3.614 -0.518 -1.948) 4.138 21.583 ( -15.046 6.859 34.617) 38.364 21.775 ( -15.778 -11.532 32.313) 37.763 22.255 ( 13.869 5.296 -29.674) 33.180 22.396 ( 14.511 -8.015 -27.347) 31.979 ======================= Grid point 169 (95/100) ======================= q-point: ( 0.14 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.155 0.362 2.082) 2.119 1.109 ( 1.299 -5.002 2.444) 5.717 1.582 ( 5.295 2.751 -2.268) 6.384 1.671 ( 7.439 -5.019 -7.068) 11.423 1.962 ( -0.746 3.831 -2.671) 4.730 2.034 ( 2.368 -2.161 -3.193) 4.525 2.317 ( -2.766 7.689 5.678) 9.951 2.397 ( 0.505 2.296 1.535) 2.808 2.564 ( -2.136 1.773 6.381) 6.959 2.613 ( -2.113 -4.554 -0.460) 5.041 2.681 ( 2.808 0.045 -1.252) 3.075 2.727 ( 1.596 -3.701 0.477) 4.058 2.970 ( -2.913 0.741 5.332) 6.121 3.009 ( -1.874 -2.159 7.434) 7.965 3.268 ( -1.088 1.038 -0.380) 1.551 3.302 ( 0.051 -1.849 -1.246) 2.230 3.763 ( -2.298 4.806 1.483) 5.530 3.845 ( 1.657 -2.577 -0.780) 3.161 4.343 ( -3.804 5.457 -3.252) 7.405 4.395 ( -2.044 1.425 -3.341) 4.168 4.619 ( 0.676 4.840 2.312) 5.406 4.636 ( 2.297 6.685 -3.087) 7.713 4.766 ( -4.817 -4.899 7.399) 10.097 4.824 ( -0.569 -6.846 4.986) 8.489 5.171 ( 1.135 4.139 2.481) 4.957 5.264 ( 2.449 -4.306 3.267) 5.934 5.433 ( 5.062 3.357 -3.594) 7.057 5.503 ( 7.225 -3.217 -8.474) 11.592 6.221 ( -6.767 5.157 5.057) 9.898 6.334 ( -4.159 -5.130 6.345) 9.158 6.496 ( 2.300 0.930 -6.254) 6.728 6.544 ( 2.558 -3.346 -3.095) 5.227 6.894 ( -1.193 -0.660 5.661) 5.823 6.905 ( -1.287 -1.573 2.462) 3.192 7.234 ( 0.520 1.635 -3.972) 4.327 7.293 ( 2.700 -3.944 -6.937) 8.424 8.817 ( -1.633 4.612 3.021) 5.750 8.840 ( -1.345 2.997 1.248) 3.514 9.157 ( -4.784 2.802 -1.846) 5.843 9.196 ( -6.126 -0.627 -2.694) 6.721 9.296 ( -0.484 6.116 -0.263) 6.141 9.386 ( 1.465 -1.858 -1.008) 2.572 9.639 ( -0.397 2.650 -0.609) 2.748 9.676 ( 1.061 -0.742 -2.424) 2.748 10.287 ( 0.664 3.098 1.004) 3.324 10.325 ( 2.985 1.634 -0.447) 3.432 10.455 ( -3.169 -1.043 1.239) 3.559 10.545 ( 1.075 -7.147 -0.784) 7.270 11.104 ( -3.029 1.567 5.042) 6.087 11.124 ( -2.931 0.431 0.062) 2.963 11.338 ( 0.687 0.377 0.388) 0.875 11.397 ( 2.061 -4.207 -4.966) 6.827 11.894 ( -6.624 0.927 -4.675) 8.161 11.910 ( -8.131 -0.714 -2.959) 8.682 12.121 ( 3.983 4.397 8.044) 9.995 12.203 ( 5.382 -3.266 6.009) 8.702 15.682 ( -1.744 1.383 5.045) 5.515 15.687 ( -1.571 1.130 0.561) 2.015 16.613 ( -6.697 12.935 -1.885) 14.687 16.839 ( 1.077 -7.012 -4.484) 8.393 17.229 ( -1.161 -0.791 5.348) 5.529 17.317 ( -4.071 -8.773 5.047) 10.909 17.527 ( 9.148 8.796 -4.588) 13.495 17.799 ( 13.315 -15.389 -5.784) 21.156 19.734 ( -5.564 2.395 4.748) 7.696 19.766 ( -4.966 -0.649 4.335) 6.624 20.135 ( -2.537 4.825 -1.420) 5.633 20.206 ( -0.406 -1.762 -3.704) 4.121 21.610 ( -15.059 5.846 32.841) 36.599 21.768 ( -15.392 -9.046 30.260) 35.134 22.241 ( 13.869 6.363 -30.279) 33.906 22.411 ( 13.835 -9.738 -27.902) 32.631 ======================= Grid point 170 (96/100) ======================= q-point: ( 0.29 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 2.149 3.814 0.649) 4.426 1.154 ( 2.458 -2.433 0.098) 3.460 1.672 ( 4.746 1.959 -3.891) 6.443 1.737 ( 4.915 -3.353 -7.182) 9.326 1.962 ( 5.137 2.355 -1.147) 5.766 2.041 ( 3.353 -2.681 -3.070) 5.278 2.313 ( -3.589 5.386 5.333) 8.386 2.396 ( -4.461 -1.141 3.509) 5.789 2.607 ( -1.309 2.441 8.349) 8.797 2.617 ( 2.076 0.334 1.319) 2.482 2.725 ( 2.013 -1.388 -1.683) 2.968 2.770 ( 2.592 -4.287 3.448) 6.081 2.958 ( -2.450 2.025 2.748) 4.202 3.009 ( -4.380 -2.344 4.854) 6.945 3.234 ( -1.425 1.537 -1.918) 2.841 3.276 ( -0.963 -1.823 -1.885) 2.794 3.766 ( -0.040 7.000 4.956) 8.577 3.894 ( 3.262 -4.337 1.700) 5.687 4.236 ( -3.286 5.758 -5.075) 8.350 4.304 ( -3.419 0.462 -4.296) 5.509 4.637 ( -0.598 4.201 1.743) 4.588 4.661 ( 3.012 6.566 -3.182) 7.894 4.762 ( -4.039 -2.578 10.131) 11.207 4.871 ( 0.418 -7.962 4.523) 9.167 5.243 ( 2.311 4.773 4.529) 6.974 5.353 ( 1.788 -5.338 6.193) 8.369 5.490 ( 4.785 4.151 -4.729) 7.905 5.573 ( 7.253 -3.570 -7.268) 10.871 6.137 ( -6.122 6.238 4.233) 9.711 6.285 ( -5.530 -7.569 3.735) 10.091 6.482 ( 1.905 2.815 -5.279) 6.278 6.555 ( 1.406 -4.002 -3.087) 5.247 6.917 ( -0.164 -0.157 3.977) 3.983 6.938 ( -0.458 -2.002 5.887) 6.235 7.208 ( 0.926 2.362 -4.117) 4.836 7.276 ( 2.361 -4.025 -6.929) 8.354 8.804 ( 0.264 5.994 -1.442) 6.171 8.834 ( -2.705 3.447 5.251) 6.839 9.040 ( -5.902 0.692 -1.307) 6.085 9.073 ( -2.191 -1.213 -3.667) 4.441 9.225 ( -5.059 7.164 -2.614) 9.152 9.344 ( -3.915 -2.881 -2.477) 5.455 9.641 ( 0.587 2.378 -0.596) 2.521 9.669 ( 0.762 -0.300 -2.561) 2.689 10.317 ( 1.275 2.913 1.473) 3.504 10.390 ( 2.188 -3.118 1.237) 4.005 10.421 ( -0.491 2.973 1.217) 3.250 10.555 ( -0.339 -8.051 0.950) 8.114 11.057 ( -2.957 1.944 -1.638) 3.899 11.064 ( -4.195 0.777 1.975) 4.702 11.356 ( 0.433 -0.436 0.522) 0.807 11.390 ( 1.180 -3.410 -3.171) 4.804 11.755 ( -3.084 0.529 -3.705) 4.850 11.772 ( -4.030 -0.987 -1.485) 4.407 12.275 ( 2.773 4.314 10.298) 11.505 12.354 ( 3.023 -3.021 8.169) 9.220 15.673 ( -0.378 2.489 0.727) 2.620 15.690 ( -2.230 0.614 4.938) 5.453 16.487 ( -4.420 12.980 -2.090) 13.870 16.743 ( -4.832 -10.276 -6.333) 13.001 17.281 ( -0.073 -2.124 6.332) 6.680 17.323 ( 1.083 -6.986 3.489) 7.883 17.708 ( 11.147 10.687 -1.947) 15.564 17.969 ( 9.595 -13.607 -6.035) 17.709 19.672 ( -5.759 2.078 6.170) 8.692 19.705 ( -5.894 -1.060 6.310) 8.700 20.054 ( -3.062 4.828 -4.226) 7.109 20.129 ( -3.081 -2.144 -5.168) 6.387 21.615 ( -15.757 5.480 31.453) 35.603 21.757 ( -14.693 -7.832 29.328) 33.724 22.226 ( 14.255 6.739 -30.406) 34.251 22.405 ( 13.125 -10.221 -28.494) 32.994 ======================= Grid point 171 (97/100) ======================= q-point: ( 0.43 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.669 5.681 2.905) 6.416 1.201 ( 5.361 -1.828 -5.880) 8.164 1.673 ( 1.294 1.653 -5.196) 5.604 1.712 ( -0.032 -1.382 -5.919) 6.078 2.122 ( 9.080 1.383 0.346) 9.191 2.146 ( 8.606 -0.589 -0.583) 8.646 2.265 ( -5.911 3.304 3.787) 7.758 2.306 ( -6.992 -1.477 2.489) 7.567 2.616 ( -1.371 -0.256 2.371) 2.751 2.660 ( -1.098 -2.943 1.026) 3.304 2.769 ( 2.247 4.246 4.541) 6.610 2.873 ( 4.479 -4.636 0.909) 6.511 2.924 ( -4.056 0.505 4.339) 5.961 2.948 ( -5.459 -1.794 3.815) 6.897 3.186 ( -1.878 2.803 -0.561) 3.420 3.233 ( -2.715 -0.712 -0.484) 2.849 3.851 ( 3.201 7.859 6.279) 10.556 3.993 ( 4.701 -4.651 2.823) 7.190 4.130 ( -1.596 5.256 -8.146) 9.825 4.199 ( -2.893 -0.360 -5.480) 6.207 4.630 ( -2.461 5.396 3.339) 6.806 4.688 ( 3.308 4.198 -4.261) 6.835 4.794 ( -2.764 -0.369 10.355) 10.724 4.915 ( 1.459 -7.609 0.992) 7.811 5.318 ( 0.218 4.658 5.797) 7.439 5.424 ( 0.510 -4.946 3.761) 6.234 5.521 ( 1.993 4.239 -2.460) 5.291 5.621 ( 4.244 -4.889 -6.420) 9.117 6.084 ( -4.143 5.862 5.793) 9.225 6.215 ( -3.350 -6.046 0.407) 6.924 6.474 ( 0.825 2.008 -1.915) 2.895 6.547 ( 1.647 -4.379 -4.410) 6.430 6.953 ( -0.889 -0.080 4.806) 4.888 6.974 ( -1.052 -1.919 4.474) 4.980 7.202 ( 2.792 2.279 -4.448) 5.725 7.261 ( 3.237 -3.310 -7.539) 8.847 8.798 ( -3.321 6.231 4.483) 8.364 8.836 ( -0.546 2.462 1.553) 2.962 8.957 ( -0.402 4.393 0.106) 4.413 9.064 ( 0.809 0.395 -0.883) 1.261 9.099 ( -1.599 1.981 -4.623) 5.278 9.218 ( -5.919 -4.072 -3.557) 8.017 9.639 ( -0.133 2.096 -0.512) 2.162 9.658 ( 0.522 0.230 -2.441) 2.507 10.357 ( 0.302 2.569 2.815) 3.823 10.393 ( 0.008 -0.840 0.749) 1.126 10.486 ( 4.082 -1.203 0.113) 4.257 10.541 ( -2.008 -5.869 0.686) 6.241 10.996 ( -3.723 1.807 1.397) 4.368 11.004 ( -1.770 1.175 -0.609) 2.210 11.361 ( -0.276 -1.185 0.536) 1.330 11.386 ( 0.835 -3.398 -1.994) 4.027 11.710 ( 0.172 0.107 -1.456) 1.470 11.718 ( -0.871 -0.687 -1.015) 1.503 12.408 ( 3.082 3.136 6.613) 7.942 12.456 ( 1.840 -1.338 4.244) 4.815 15.674 ( -2.929 3.520 4.824) 6.651 15.700 ( 0.877 1.294 1.077) 1.898 16.426 ( -0.494 7.228 -0.282) 7.250 16.589 ( -3.691 -7.552 -7.567) 11.310 17.336 ( 0.249 -0.858 5.323) 5.398 17.386 ( 2.112 -5.506 1.768) 6.157 17.862 ( 5.712 5.968 -0.244) 8.265 18.023 ( 2.759 -8.893 -7.750) 12.114 19.651 ( -3.403 2.117 8.748) 9.623 19.686 ( -3.206 -1.178 8.589) 9.243 19.959 ( -1.817 3.356 -5.287) 6.520 20.016 ( -2.905 -1.846 -6.138) 7.037 21.597 ( -16.558 6.035 31.178) 35.814 21.753 ( -14.624 -8.645 29.967) 34.447 22.223 ( 14.794 6.266 -29.970) 34.004 22.387 ( 12.837 -9.215 -28.666) 32.733 ======================= Grid point 172 (98/100) ======================= q-point: (-0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -2.240 8.555 1.984) 9.063 1.246 ( 6.301 -3.165 -8.490) 11.036 1.633 ( -1.697 2.392 -1.493) 3.291 1.693 ( 2.838 -2.810 -4.138) 5.751 2.093 ( -11.596 2.435 2.654) 12.142 2.123 ( -7.826 0.853 1.683) 8.050 2.328 ( 7.550 1.530 -2.198) 8.011 2.351 ( 9.070 -0.955 -1.719) 9.280 2.619 ( -0.868 -1.668 2.854) 3.418 2.643 ( -0.210 -3.644 -0.200) 3.655 2.827 ( -3.547 5.892 3.663) 7.792 2.856 ( -0.361 2.567 0.597) 2.661 2.893 ( -3.970 -2.738 3.462) 5.937 2.978 ( 0.712 -5.834 6.414) 8.700 3.162 ( -2.386 1.600 3.845) 4.800 3.172 ( -3.069 0.679 0.686) 3.217 3.969 ( 1.974 7.729 4.681) 9.249 4.022 ( -0.739 4.567 -9.430) 10.504 4.095 ( 1.638 -1.480 -1.700) 2.786 4.134 ( 5.008 -3.568 -2.509) 6.641 4.612 ( -2.687 6.981 3.436) 8.231 4.698 ( 1.279 0.803 -3.210) 3.548 4.840 ( -0.911 1.558 6.862) 7.096 4.941 ( 2.072 -5.839 -2.826) 6.810 5.343 ( -2.983 4.670 4.996) 7.461 5.436 ( -0.522 -3.112 -0.358) 3.175 5.518 ( -1.728 2.039 0.813) 2.793 5.610 ( 0.922 -5.671 -6.601) 8.751 6.088 ( -2.094 4.342 7.603) 9.002 6.184 ( 0.143 -3.986 0.051) 3.989 6.476 ( 0.565 1.457 -0.749) 1.733 6.544 ( 2.568 -4.289 -4.524) 6.742 6.954 ( -3.348 0.618 4.094) 5.325 6.985 ( -1.499 -2.347 3.426) 4.415 7.225 ( 3.814 1.003 -4.909) 6.297 7.260 ( 4.557 -2.275 -8.828) 10.192 8.771 ( -4.405 5.402 6.028) 9.215 8.820 ( -2.246 0.614 3.224) 3.977 8.982 ( -2.153 4.935 -1.524) 5.596 9.035 ( 2.753 6.275 1.993) 7.136 9.098 ( 1.180 -2.000 -4.132) 4.740 9.196 ( 8.324 -4.952 -1.835) 9.858 9.630 ( -0.602 2.030 0.132) 2.121 9.649 ( 0.480 0.195 -1.250) 1.353 10.356 ( -2.023 3.172 2.017) 4.268 10.430 ( 2.932 -2.094 -1.430) 3.877 10.488 ( -3.029 -0.439 -0.320) 3.078 10.557 ( 3.021 -4.860 -0.644) 5.759 10.952 ( -2.785 3.547 3.564) 5.748 10.998 ( 0.482 -0.373 1.490) 1.610 11.357 ( -0.701 -1.560 0.576) 1.805 11.384 ( 0.698 -3.704 -1.384) 4.015 11.702 ( 0.087 0.673 -0.751) 1.012 11.722 ( 1.799 -1.294 -1.098) 2.473 12.501 ( 2.448 1.411 -2.092) 3.515 12.505 ( 3.466 0.946 -1.001) 3.729 15.648 ( -4.242 6.156 4.868) 8.922 15.732 ( 1.104 -1.280 0.533) 1.772 16.452 ( 1.416 2.642 0.445) 3.031 16.524 ( 4.996 -3.599 -4.542) 7.651 17.375 ( -0.546 -0.771 2.953) 3.101 17.417 ( 1.159 -4.479 -1.845) 4.981 17.894 ( -4.043 1.022 0.151) 4.173 17.956 ( -1.083 -4.420 -5.611) 7.224 19.698 ( -1.098 2.144 9.059) 9.374 19.720 ( -1.311 0.025 5.943) 6.086 19.920 ( 1.354 1.010 -1.444) 2.222 19.940 ( 1.189 -0.892 -3.885) 4.159 21.568 ( -17.178 6.887 32.142) 37.089 21.754 ( -15.231 -10.734 31.542) 36.635 22.233 ( 15.083 5.218 -29.256) 33.326 22.368 ( 13.004 -7.427 -28.352) 32.064 ======================= Grid point 173 (99/100) ======================= q-point: (-0.29 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -3.477 10.970 0.684) 11.528 1.263 ( 3.073 -4.912 -8.699) 10.452 1.614 ( 0.358 3.247 0.555) 3.313 1.692 ( -0.914 -5.132 -2.891) 5.961 1.929 ( -6.251 2.966 2.484) 7.351 2.001 ( -5.344 -1.557 0.958) 5.648 2.404 ( 3.276 2.977 -3.519) 5.655 2.458 ( 4.211 -0.870 -2.460) 4.953 2.600 ( -3.832 0.765 1.765) 4.288 2.661 ( -0.116 -3.670 2.288) 4.326 2.752 ( -2.135 5.121 -3.208) 6.409 2.844 ( -1.134 -3.052 -4.146) 5.272 2.880 ( -4.431 4.624 11.274) 12.966 3.022 ( -3.026 -6.305 7.595) 10.324 3.164 ( 1.031 0.333 2.554) 2.774 3.177 ( -0.212 -0.575 5.322) 5.357 3.924 ( -0.066 3.674 -9.334) 10.032 3.942 ( -3.297 2.878 -2.430) 5.006 4.183 ( 7.734 3.136 -0.359) 8.353 4.253 ( 6.480 -2.077 0.325) 6.813 4.595 ( -2.013 6.970 2.537) 7.685 4.681 ( -0.401 -0.839 -1.930) 2.142 4.867 ( -1.063 1.777 2.064) 2.924 4.939 ( 1.022 -4.122 -3.783) 5.688 5.298 ( -4.272 5.230 1.011) 6.829 5.404 ( -3.873 -4.089 1.480) 5.823 5.464 ( -3.468 2.304 -1.501) 4.426 5.547 ( -0.549 -5.599 -6.640) 8.703 6.135 ( -0.101 3.460 6.757) 7.592 6.225 ( 1.875 -4.318 4.133) 6.265 6.477 ( 1.053 2.845 -2.521) 3.945 6.559 ( 2.496 -4.348 -3.121) 5.906 6.916 ( -3.782 1.851 3.009) 5.175 6.978 ( -2.234 -3.958 2.775) 5.325 7.246 ( 3.511 0.331 -5.571) 6.594 7.271 ( 5.213 -1.977 -8.969) 10.560 8.753 ( -1.729 5.580 3.618) 6.871 8.822 ( -2.230 -0.992 5.560) 6.072 8.991 ( 2.120 2.862 3.358) 4.895 9.034 ( 1.102 -0.625 1.557) 2.007 9.217 ( 8.105 6.364 -1.933) 10.484 9.326 ( 6.183 -3.087 -1.237) 7.020 9.621 ( -0.435 2.667 0.349) 2.724 9.658 ( 1.082 -0.598 -0.216) 1.255 10.333 ( -1.336 3.861 0.052) 4.086 10.399 ( -4.302 -1.003 -0.277) 4.426 10.482 ( 3.356 1.046 -3.776) 5.159 10.585 ( 0.839 -6.515 -1.417) 6.719 10.963 ( -0.985 4.897 6.235) 7.989 11.040 ( 1.037 -1.949 4.036) 4.600 11.349 ( -0.415 -1.030 0.365) 1.169 11.390 ( 1.502 -4.307 -1.725) 4.877 11.711 ( 1.296 1.894 0.610) 2.375 11.759 ( 2.781 -2.540 -0.049) 3.767 12.479 ( 1.029 3.250 -9.672) 10.255 12.518 ( 1.367 -0.534 -7.991) 8.124 15.621 ( -3.073 6.987 4.938) 9.091 15.743 ( -0.233 -4.354 0.404) 4.379 16.504 ( 6.217 7.717 -2.741) 10.282 16.651 ( 7.315 -6.040 1.757) 9.648 17.363 ( -1.889 -1.490 -0.345) 2.430 17.407 ( 1.346 -5.474 -4.399) 7.151 17.726 ( -9.489 5.516 -4.242) 11.767 17.887 ( -5.835 -8.893 0.884) 10.673 19.734 ( -0.206 1.681 2.855) 3.320 19.750 ( -0.166 0.225 3.759) 3.769 19.977 ( 5.451 2.245 1.197) 6.015 20.013 ( 4.084 -0.842 4.221) 5.933 21.547 ( -17.067 7.494 33.928) 38.711 21.759 ( -15.760 -12.768 33.220) 38.922 22.250 ( 14.877 4.249 -28.814) 32.705 22.360 ( 13.623 -6.061 -27.758) 31.510 ======================= Grid point 174 (100/100) ======================= q-point: (-0.14 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -2.913 7.227 2.617) 8.220 1.190 ( -3.703 -6.385 -4.484) 8.637 1.613 ( -2.225 -0.596 -3.194) 3.938 1.641 ( 2.962 -0.336 -5.365) 6.138 1.911 ( 0.850 1.657 2.310) 2.967 1.959 ( -1.269 -1.241 3.021) 3.504 2.397 ( -1.630 5.143 -1.626) 5.635 2.462 ( -0.482 3.425 -4.060) 5.334 2.550 ( -2.197 -0.309 3.438) 4.091 2.657 ( -1.054 -5.513 0.512) 5.636 2.698 ( 0.063 3.687 -4.964) 6.184 2.777 ( -1.903 -2.607 -3.776) 4.968 2.910 ( -3.276 2.759 11.035) 11.837 3.012 ( -5.647 -4.870 8.942) 11.643 3.229 ( 2.581 -0.366 2.140) 3.373 3.239 ( 1.574 -1.241 3.908) 4.392 3.857 ( 0.667 2.225 -6.550) 6.949 3.864 ( -1.816 2.056 -3.093) 4.134 4.322 ( 7.117 3.849 -0.854) 8.136 4.364 ( 5.237 0.569 -0.784) 5.326 4.582 ( -1.394 6.144 1.722) 6.531 4.657 ( -0.487 -0.524 -1.037) 1.260 4.832 ( -2.950 0.904 -0.532) 3.131 4.907 ( -2.221 -4.592 -1.177) 5.235 5.227 ( -2.564 4.151 -1.340) 5.060 5.302 ( -6.864 -2.453 0.283) 7.295 5.399 ( -1.375 2.429 -1.852) 3.350 5.488 ( 1.246 -5.521 -7.103) 9.083 6.204 ( 0.594 3.527 6.878) 7.752 6.304 ( 0.055 -5.701 7.364) 9.313 6.471 ( 1.996 4.587 -4.566) 6.773 6.568 ( 1.318 -4.526 -3.304) 5.757 6.880 ( -2.846 2.115 3.264) 4.820 6.955 ( -2.321 -4.713 1.605) 5.493 7.257 ( 2.804 0.435 -5.104) 5.840 7.287 ( 4.779 -2.386 -8.142) 9.737 8.774 ( -0.009 5.238 3.786) 6.464 8.835 ( -1.256 -0.606 4.501) 4.713 9.104 ( 4.059 1.763 6.553) 7.908 9.114 ( 4.304 0.994 3.499) 5.635 9.314 ( 4.215 4.978 -2.919) 7.146 9.385 ( 1.056 -1.394 -1.408) 2.245 9.626 ( 0.975 3.319 -0.041) 3.460 9.676 ( 1.138 -1.098 -0.949) 1.844 10.309 ( -0.929 3.091 -0.856) 3.339 10.320 ( -3.145 2.556 -0.180) 4.057 10.502 ( 2.253 -1.000 -3.323) 4.138 10.567 ( -0.537 -5.836 -2.354) 6.316 11.018 ( -0.385 4.439 7.964) 9.125 11.101 ( 0.420 -2.887 5.703) 6.406 11.346 ( 0.095 0.288 -0.944) 0.991 11.405 ( 2.384 -4.573 -3.635) 6.309 11.777 ( 3.307 2.330 4.831) 6.301 11.835 ( 3.949 -3.067 3.493) 6.099 12.356 ( -2.693 3.745 -13.687) 14.443 12.404 ( -3.302 -0.926 -12.426) 12.891 15.627 ( -1.424 6.049 5.471) 8.280 15.736 ( -0.924 -4.213 0.495) 4.342 16.627 ( 8.990 9.113 -2.608) 13.064 16.769 ( 2.312 -4.298 1.825) 5.211 17.313 ( -1.850 -0.569 -1.536) 2.471 17.397 ( -1.318 -6.788 -1.590) 7.095 17.524 ( -3.577 5.912 -5.890) 9.080 17.745 ( -8.577 -12.752 -1.161) 15.412 19.765 ( 0.109 1.816 3.385) 3.843 19.779 ( -0.205 0.370 3.120) 3.149 20.106 ( 5.694 1.790 1.216) 6.092 20.121 ( 3.236 0.494 3.428) 4.740 21.552 ( -16.016 7.545 35.214) 39.414 21.769 ( -15.835 -13.228 33.723) 39.534 22.260 ( 14.271 4.269 -29.027) 32.626 22.373 ( 14.420 -6.298 -27.280) 31.493 =================== 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 3/24696 10.0 23.744 32.406 33.571 0.000 -1.376 0.000 3/24696 20.0 6.869 9.970 10.475 0.000 -1.135 0.000 3/24696 30.0 3.833 5.512 6.059 0.000 -0.963 0.000 3/24696 40.0 2.674 3.786 4.326 0.000 -0.806 0.000 3/24696 50.0 2.070 2.896 3.416 0.000 -0.695 0.000 3/24696 60.0 1.701 2.358 2.858 0.000 -0.616 0.000 3/24696 70.0 1.452 1.999 2.480 0.000 -0.557 0.000 3/24696 80.0 1.273 1.742 2.203 0.000 -0.509 0.000 3/24696 90.0 1.137 1.548 1.990 0.000 -0.469 0.000 3/24696 100.0 1.030 1.396 1.821 0.000 -0.435 0.000 3/24696 110.0 0.945 1.274 1.682 0.000 -0.405 0.000 3/24696 120.0 0.874 1.173 1.567 0.000 -0.380 0.000 3/24696 130.0 0.815 1.089 1.471 0.000 -0.359 0.000 3/24696 140.0 0.765 1.017 1.389 0.000 -0.341 0.000 3/24696 150.0 0.723 0.955 1.319 0.000 -0.326 0.000 3/24696 160.0 0.686 0.901 1.259 0.000 -0.313 0.000 3/24696 170.0 0.653 0.853 1.206 0.000 -0.302 0.000 3/24696 180.0 0.625 0.811 1.160 0.000 -0.292 0.000 3/24696 190.0 0.600 0.773 1.120 0.000 -0.284 0.000 3/24696 200.0 0.577 0.739 1.083 0.000 -0.277 0.000 3/24696 210.0 0.556 0.708 1.051 0.000 -0.271 0.000 3/24696 220.0 0.537 0.680 1.021 0.000 -0.265 0.000 3/24696 230.0 0.520 0.654 0.994 0.000 -0.260 0.000 3/24696 240.0 0.504 0.630 0.969 0.000 -0.255 0.000 3/24696 250.0 0.489 0.608 0.945 0.000 -0.251 0.000 3/24696 260.0 0.475 0.587 0.923 0.000 -0.247 0.000 3/24696 270.0 0.462 0.568 0.903 0.000 -0.243 0.000 3/24696 280.0 0.450 0.550 0.883 0.000 -0.240 0.000 3/24696 290.0 0.439 0.534 0.865 0.000 -0.236 0.000 3/24696 300.0 0.428 0.518 0.847 0.000 -0.233 0.000 3/24696 310.0 0.418 0.503 0.830 0.000 -0.229 0.000 3/24696 320.0 0.408 0.489 0.814 0.000 -0.226 0.000 3/24696 330.0 0.398 0.476 0.798 0.000 -0.223 0.000 3/24696 340.0 0.389 0.463 0.783 0.000 -0.220 0.000 3/24696 350.0 0.381 0.451 0.769 0.000 -0.217 0.000 3/24696 360.0 0.373 0.440 0.755 0.000 -0.214 0.000 3/24696 370.0 0.365 0.430 0.741 0.000 -0.211 0.000 3/24696 380.0 0.357 0.419 0.728 0.000 -0.208 0.000 3/24696 390.0 0.350 0.410 0.715 0.000 -0.205 0.000 3/24696 400.0 0.343 0.400 0.703 0.000 -0.202 0.000 3/24696 410.0 0.336 0.391 0.691 0.000 -0.199 0.000 3/24696 420.0 0.330 0.383 0.679 0.000 -0.196 0.000 3/24696 430.0 0.324 0.375 0.668 0.000 -0.194 0.000 3/24696 440.0 0.318 0.367 0.657 0.000 -0.191 0.000 3/24696 450.0 0.312 0.359 0.646 0.000 -0.188 0.000 3/24696 460.0 0.306 0.352 0.636 0.000 -0.186 0.000 3/24696 470.0 0.301 0.345 0.626 0.000 -0.183 0.000 3/24696 480.0 0.296 0.339 0.616 0.000 -0.181 0.000 3/24696 490.0 0.291 0.332 0.606 0.000 -0.178 0.000 3/24696 500.0 0.286 0.326 0.597 0.000 -0.176 0.000 3/24696 510.0 0.281 0.320 0.588 0.000 -0.174 0.000 3/24696 520.0 0.276 0.314 0.579 0.000 -0.171 0.000 3/24696 530.0 0.272 0.309 0.571 0.000 -0.169 0.000 3/24696 540.0 0.268 0.303 0.562 0.000 -0.167 0.000 3/24696 550.0 0.263 0.298 0.554 0.000 -0.165 0.000 3/24696 560.0 0.259 0.293 0.546 0.000 -0.163 0.000 3/24696 570.0 0.255 0.288 0.538 0.000 -0.161 0.000 3/24696 580.0 0.251 0.284 0.531 0.000 -0.159 0.000 3/24696 590.0 0.248 0.279 0.523 0.000 -0.157 0.000 3/24696 600.0 0.244 0.275 0.516 0.000 -0.155 0.000 3/24696 610.0 0.241 0.270 0.509 0.000 -0.153 0.000 3/24696 620.0 0.237 0.266 0.502 0.000 -0.151 0.000 3/24696 630.0 0.234 0.262 0.496 0.000 -0.149 0.000 3/24696 640.0 0.231 0.258 0.489 0.000 -0.147 0.000 3/24696 650.0 0.227 0.255 0.483 0.000 -0.145 0.000 3/24696 660.0 0.224 0.251 0.477 0.000 -0.144 0.000 3/24696 670.0 0.221 0.247 0.471 0.000 -0.142 0.000 3/24696 680.0 0.218 0.244 0.465 0.000 -0.140 0.000 3/24696 690.0 0.215 0.240 0.459 0.000 -0.139 0.000 3/24696 700.0 0.213 0.237 0.453 0.000 -0.137 0.000 3/24696 710.0 0.210 0.234 0.448 0.000 -0.136 0.000 3/24696 720.0 0.207 0.231 0.442 0.000 -0.134 0.000 3/24696 730.0 0.205 0.228 0.437 0.000 -0.133 0.000 3/24696 740.0 0.202 0.225 0.432 0.000 -0.131 0.000 3/24696 750.0 0.200 0.222 0.427 0.000 -0.130 0.000 3/24696 760.0 0.197 0.219 0.422 0.000 -0.128 0.000 3/24696 770.0 0.195 0.216 0.417 0.000 -0.127 0.000 3/24696 780.0 0.193 0.214 0.412 0.000 -0.125 0.000 3/24696 790.0 0.190 0.211 0.408 0.000 -0.124 0.000 3/24696 800.0 0.188 0.208 0.403 0.000 -0.123 0.000 3/24696 810.0 0.186 0.206 0.399 0.000 -0.122 0.000 3/24696 820.0 0.184 0.204 0.394 0.000 -0.120 0.000 3/24696 830.0 0.182 0.201 0.390 0.000 -0.119 0.000 3/24696 840.0 0.180 0.199 0.386 0.000 -0.118 0.000 3/24696 850.0 0.178 0.197 0.382 0.000 -0.117 0.000 3/24696 860.0 0.176 0.194 0.378 0.000 -0.115 0.000 3/24696 870.0 0.174 0.192 0.374 0.000 -0.114 0.000 3/24696 880.0 0.172 0.190 0.370 0.000 -0.113 0.000 3/24696 890.0 0.170 0.188 0.366 0.000 -0.112 0.000 3/24696 900.0 0.169 0.186 0.363 0.000 -0.111 0.000 3/24696 910.0 0.167 0.184 0.359 0.000 -0.110 0.000 3/24696 920.0 0.165 0.182 0.355 0.000 -0.109 0.000 3/24696 930.0 0.163 0.180 0.352 0.000 -0.108 0.000 3/24696 940.0 0.162 0.178 0.349 0.000 -0.107 0.000 3/24696 950.0 0.160 0.176 0.345 0.000 -0.106 0.000 3/24696 960.0 0.159 0.175 0.342 0.000 -0.105 0.000 3/24696 970.0 0.157 0.173 0.339 0.000 -0.104 0.000 3/24696 980.0 0.156 0.171 0.335 0.000 -0.103 0.000 3/24696 990.0 0.154 0.169 0.332 0.000 -0.102 0.000 3/24696 1000.0 0.153 0.168 0.329 0.000 -0.101 0.000 3/24696 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:26:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|