----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:14:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] 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 8.880997750344552 0.000000000000000 0.000000000000000 b 0.000000000000000 7.395009449999999 0.000000000000000 c -1.226586203295576 0.000000000000000 7.259503524905333 Atomic positions (fractional): *1 La 0.85750786778558 0.55331831636572 0.24480349472897 138.905 2 La 0.85750786778558 0.94668168363428 0.74480349472897 138.905 *3 La 0.57639410138754 0.14298216326019 0.32178687489390 138.905 4 La 0.57639410138754 0.35701783673981 0.82178687489390 138.905 5 La 0.42360589861246 0.64298216326019 0.17821312510610 138.905 6 La 0.42360589861246 0.85701783673981 0.67821312510610 138.905 7 La 0.14249213221442 0.05331831636572 0.25519650527103 138.905 8 La 0.14249213221442 0.44668168363428 0.75519650527103 138.905 *9 Se 0.92123961282393 0.22434604168988 0.47284400514114 78.960 10 Se 0.92123961282393 0.27565395831012 0.97284400514114 78.960 *11 Se 0.67679871871897 0.86476999256980 0.05934023113363 78.960 12 Se 0.67679871871897 0.63523000743020 0.55934023113363 78.960 13 Se 0.32320128128103 0.36476999256980 0.44065976886637 78.960 14 Se 0.32320128128103 0.13523000743020 0.94065976886637 78.960 15 Se 0.07876038717606 0.72434604168988 0.02715599485886 78.960 16 Se 0.07876038717606 0.77565395831012 0.52715599485886 78.960 *17 O 0.61433046432003 0.41520732573925 0.14890102226389 15.999 18 O 0.61433046432003 0.08479267426075 0.64890102226389 15.999 19 O 0.38566953567997 0.91520732573925 0.35109897773611 15.999 20 O 0.38566953567997 0.58479267426075 0.85109897773611 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.880997750344552 0.000000000000000 0.000000000000000 b 0.000000000000000 7.395009449999999 0.000000000000000 c -1.226586203295576 0.000000000000000 7.259503524905333 Atomic positions (fractional): *1 La 0.85750786778558 0.55331831636572 0.24480349472897 138.905 > 1 2 La 0.85750786778558 0.94668168363428 0.74480349472897 138.905 > 2 *3 La 0.57639410138754 0.14298216326019 0.32178687489390 138.905 > 3 4 La 0.57639410138754 0.35701783673981 0.82178687489390 138.905 > 4 5 La 0.42360589861246 0.64298216326019 0.17821312510610 138.905 > 5 6 La 0.42360589861246 0.85701783673981 0.67821312510610 138.905 > 6 7 La 0.14249213221442 0.05331831636572 0.25519650527103 138.905 > 7 8 La 0.14249213221442 0.44668168363428 0.75519650527103 138.905 > 8 *9 Se 0.92123961282393 0.22434604168988 0.47284400514114 78.960 > 9 10 Se 0.92123961282393 0.27565395831012 0.97284400514114 78.960 > 10 *11 Se 0.67679871871897 0.86476999256980 0.05934023113363 78.960 > 11 12 Se 0.67679871871897 0.63523000743020 0.55934023113363 78.960 > 12 13 Se 0.32320128128103 0.36476999256980 0.44065976886637 78.960 > 13 14 Se 0.32320128128103 0.13523000743020 0.94065976886637 78.960 > 14 15 Se 0.07876038717606 0.72434604168988 0.02715599485886 78.960 > 15 16 Se 0.07876038717606 0.77565395831012 0.52715599485886 78.960 > 16 *17 O 0.61433046432003 0.41520732573925 0.14890102226389 15.999 > 17 18 O 0.61433046432003 0.08479267426075 0.64890102226389 15.999 > 18 19 O 0.38566953567997 0.91520732573925 0.35109897773611 15.999 > 19 20 O 0.38566953567997 0.58479267426075 0.85109897773611 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.880997750344552 0.000000000000000 0.000000000000000 b 0.000000000000000 14.790018899999998 0.000000000000000 c -2.453172406591152 0.000000000000000 14.519007049810666 Atomic positions (fractional): *1 La 0.85750786778558 0.27665915818286 0.12240174736449 138.905 > 1 2 La 0.85750786778558 0.77665915818286 0.12240174736449 138.905 > 1 3 La 0.85750786778558 0.27665915818286 0.62240174736449 138.905 > 1 4 La 0.85750786778558 0.77665915818286 0.62240174736449 138.905 > 1 5 La 0.85750786778558 0.47334084181714 0.37240174736449 138.905 > 2 6 La 0.85750786778558 0.97334084181714 0.37240174736449 138.905 > 2 7 La 0.85750786778558 0.47334084181714 0.87240174736449 138.905 > 2 8 La 0.85750786778558 0.97334084181714 0.87240174736449 138.905 > 2 *9 La 0.57639410138754 0.07149108163010 0.16089343744695 138.905 > 3 10 La 0.57639410138754 0.57149108163010 0.16089343744695 138.905 > 3 11 La 0.57639410138754 0.07149108163010 0.66089343744695 138.905 > 3 12 La 0.57639410138754 0.57149108163010 0.66089343744695 138.905 > 3 13 La 0.57639410138754 0.17850891836990 0.41089343744695 138.905 > 4 14 La 0.57639410138754 0.67850891836990 0.41089343744695 138.905 > 4 15 La 0.57639410138754 0.17850891836990 0.91089343744695 138.905 > 4 16 La 0.57639410138754 0.67850891836990 0.91089343744695 138.905 > 4 17 La 0.42360589861246 0.32149108163010 0.08910656255305 138.905 > 5 18 La 0.42360589861246 0.82149108163010 0.08910656255305 138.905 > 5 19 La 0.42360589861246 0.32149108163010 0.58910656255305 138.905 > 5 20 La 0.42360589861246 0.82149108163010 0.58910656255305 138.905 > 5 21 La 0.42360589861246 0.42850891836990 0.33910656255305 138.905 > 6 22 La 0.42360589861246 0.92850891836990 0.33910656255305 138.905 > 6 23 La 0.42360589861246 0.42850891836990 0.83910656255305 138.905 > 6 24 La 0.42360589861246 0.92850891836990 0.83910656255305 138.905 > 6 25 La 0.14249213221442 0.02665915818286 0.12759825263551 138.905 > 7 26 La 0.14249213221442 0.52665915818286 0.12759825263551 138.905 > 7 27 La 0.14249213221442 0.02665915818286 0.62759825263551 138.905 > 7 28 La 0.14249213221442 0.52665915818286 0.62759825263551 138.905 > 7 29 La 0.14249213221442 0.22334084181714 0.37759825263551 138.905 > 8 30 La 0.14249213221442 0.72334084181714 0.37759825263551 138.905 > 8 31 La 0.14249213221442 0.22334084181714 0.87759825263551 138.905 > 8 32 La 0.14249213221442 0.72334084181714 0.87759825263551 138.905 > 8 *33 Se 0.92123961282393 0.11217302084494 0.23642200257057 78.960 > 9 34 Se 0.92123961282393 0.61217302084494 0.23642200257057 78.960 > 9 35 Se 0.92123961282393 0.11217302084494 0.73642200257057 78.960 > 9 36 Se 0.92123961282393 0.61217302084494 0.73642200257057 78.960 > 9 37 Se 0.92123961282393 0.13782697915506 0.48642200257057 78.960 > 10 38 Se 0.92123961282393 0.63782697915506 0.48642200257057 78.960 > 10 39 Se 0.92123961282393 0.13782697915506 0.98642200257057 78.960 > 10 40 Se 0.92123961282393 0.63782697915506 0.98642200257057 78.960 > 10 *41 Se 0.67679871871897 0.43238499628490 0.02967011556682 78.960 > 11 42 Se 0.67679871871897 0.93238499628490 0.02967011556682 78.960 > 11 43 Se 0.67679871871897 0.43238499628490 0.52967011556682 78.960 > 11 44 Se 0.67679871871897 0.93238499628490 0.52967011556682 78.960 > 11 45 Se 0.67679871871897 0.31761500371510 0.27967011556682 78.960 > 12 46 Se 0.67679871871897 0.81761500371510 0.27967011556682 78.960 > 12 47 Se 0.67679871871897 0.31761500371510 0.77967011556682 78.960 > 12 48 Se 0.67679871871897 0.81761500371510 0.77967011556682 78.960 > 12 49 Se 0.32320128128103 0.18238499628490 0.22032988443318 78.960 > 13 50 Se 0.32320128128103 0.68238499628490 0.22032988443318 78.960 > 13 51 Se 0.32320128128103 0.18238499628490 0.72032988443318 78.960 > 13 52 Se 0.32320128128103 0.68238499628490 0.72032988443318 78.960 > 13 53 Se 0.32320128128103 0.06761500371510 0.47032988443318 78.960 > 14 54 Se 0.32320128128103 0.56761500371510 0.47032988443318 78.960 > 14 55 Se 0.32320128128103 0.06761500371510 0.97032988443318 78.960 > 14 56 Se 0.32320128128103 0.56761500371510 0.97032988443318 78.960 > 14 57 Se 0.07876038717606 0.36217302084494 0.01357799742943 78.960 > 15 58 Se 0.07876038717606 0.86217302084494 0.01357799742943 78.960 > 15 59 Se 0.07876038717606 0.36217302084494 0.51357799742943 78.960 > 15 60 Se 0.07876038717606 0.86217302084494 0.51357799742943 78.960 > 15 61 Se 0.07876038717606 0.38782697915506 0.26357799742943 78.960 > 16 62 Se 0.07876038717606 0.88782697915506 0.26357799742943 78.960 > 16 63 Se 0.07876038717606 0.38782697915506 0.76357799742943 78.960 > 16 64 Se 0.07876038717606 0.88782697915506 0.76357799742943 78.960 > 16 *65 O 0.61433046432003 0.20760366286963 0.07445051113194 15.999 > 17 66 O 0.61433046432003 0.70760366286963 0.07445051113194 15.999 > 17 67 O 0.61433046432003 0.20760366286963 0.57445051113195 15.999 > 17 68 O 0.61433046432003 0.70760366286963 0.57445051113195 15.999 > 17 69 O 0.61433046432003 0.04239633713037 0.32445051113195 15.999 > 18 70 O 0.61433046432003 0.54239633713037 0.32445051113195 15.999 > 18 71 O 0.61433046432003 0.04239633713037 0.82445051113195 15.999 > 18 72 O 0.61433046432003 0.54239633713037 0.82445051113195 15.999 > 18 73 O 0.38566953567997 0.45760366286963 0.17554948886805 15.999 > 19 74 O 0.38566953567997 0.95760366286963 0.17554948886805 15.999 > 19 75 O 0.38566953567997 0.45760366286963 0.67554948886805 15.999 > 19 76 O 0.38566953567997 0.95760366286963 0.67554948886805 15.999 > 19 77 O 0.38566953567997 0.29239633713037 0.42554948886805 15.999 > 20 78 O 0.38566953567997 0.79239633713037 0.42554948886805 15.999 > 20 79 O 0.38566953567997 0.29239633713037 0.92554948886805 15.999 > 20 80 O 0.38566953567997 0.79239633713037 0.92554948886805 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3132055 0.0000000 -0.3253562 0.0000000 7.3879405 0.0000000 -0.3254039 0.0000000 7.4751866 -------------------------- Born effective charges -------------------------- 1 La 4.1084521 -0.0633015 -0.1543931 0.0991697 4.2681682 -0.0300050 -0.1040391 -0.0610466 3.9792777 2 La 4.1084521 0.0633015 -0.1543931 -0.0991697 4.2681682 0.0300050 -0.1040391 0.0610466 3.9792777 3 La 4.1818323 0.3305564 -0.2164919 0.2069490 4.2757247 -0.1189296 -0.1521098 -0.0627924 4.3930464 4 La 4.1818323 -0.3305564 -0.2164919 -0.2069490 4.2757247 0.1189296 -0.1521098 0.0627924 4.3930464 5 La 4.1818323 -0.3305564 -0.2164919 -0.2069490 4.2757247 0.1189296 -0.1521098 0.0627924 4.3930464 6 La 4.1818323 0.3305564 -0.2164919 0.2069490 4.2757247 -0.1189296 -0.1521098 -0.0627924 4.3930464 7 La 4.1084521 0.0633015 -0.1543931 -0.0991697 4.2681682 0.0300050 -0.1040391 0.0610466 3.9792777 8 La 4.1084521 -0.0633015 -0.1543931 0.0991697 4.2681682 -0.0300050 -0.1040391 -0.0610466 3.9792777 9 Se -2.4410574 -0.2560766 -0.0617998 -0.1163434 -2.8109145 0.2894619 -0.0299865 0.4728510 -2.6277513 10 Se -2.4410574 0.2560766 -0.0617998 0.1163434 -2.8109145 -0.2894619 -0.0299865 -0.4728510 -2.6277513 11 Se -2.6345877 0.1506154 0.4440440 0.2051428 -2.5374951 0.2481209 0.3441001 0.2318542 -2.7208998 12 Se -2.6345877 -0.1506154 0.4440440 -0.2051428 -2.5374951 -0.2481209 0.3441001 -0.2318542 -2.7208998 13 Se -2.6345877 -0.1506154 0.4440440 -0.2051428 -2.5374951 -0.2481209 0.3441001 -0.2318542 -2.7208998 14 Se -2.6345877 0.1506154 0.4440440 0.2051428 -2.5374951 0.2481209 0.3441001 0.2318542 -2.7208998 15 Se -2.4410574 0.2560766 -0.0617998 0.1163434 -2.8109145 -0.2894619 -0.0299865 -0.4728510 -2.6277513 16 Se -2.4410574 -0.2560766 -0.0617998 -0.1163434 -2.8109145 0.2894619 -0.0299865 0.4728510 -2.6277513 17 O -3.2146392 -0.1662551 -0.0113592 -0.2565249 -3.1954834 -0.1165160 -0.0579646 -0.1636380 -3.0236730 18 O -3.2146392 0.1662551 -0.0113592 0.2565249 -3.1954834 0.1165160 -0.0579646 0.1636380 -3.0236730 19 O -3.2146392 0.1662551 -0.0113592 0.2565249 -3.1954834 0.1165160 -0.0579646 0.1636380 -3.0236730 20 O -3.2146392 -0.1662551 -0.0113592 -0.2565249 -3.1954834 -0.1165160 -0.0579646 -0.1636380 -3.0236730 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1860 Number of blocks in projector: 1860 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1816), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.093 Solver_block: 200 / 640 - Time: 2.090 Solver_block: 300 / 640 - Time: 2.096 Solver_block: 400 / 640 - Time: 2.089 Solver_block: 500 / 640 - Time: 2.097 Solver_block: 600 / 640 - Time: 2.095 Solver_block: 640 / 640 - Time: 0.898 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.502 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1860 Number of blocks in projector: 1860 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1816), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), 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 23:15:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:15:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.880997750344552 0.000000000000000 0.000000000000000 b 0.000000000000000 7.395009449999999 0.000000000000000 c -1.226586203295576 0.000000000000000 7.259503524905333 Atomic positions (fractional): 1 La 0.85750786778558 0.55331831636572 0.24480349472897 138.905 2 La 0.85750786778558 0.94668168363428 0.74480349472897 138.905 3 La 0.57639410138754 0.14298216326019 0.32178687489390 138.905 4 La 0.57639410138754 0.35701783673981 0.82178687489390 138.905 5 La 0.42360589861246 0.64298216326019 0.17821312510610 138.905 6 La 0.42360589861246 0.85701783673981 0.67821312510610 138.905 7 La 0.14249213221442 0.05331831636572 0.25519650527103 138.905 8 La 0.14249213221442 0.44668168363428 0.75519650527103 138.905 9 Se 0.92123961282393 0.22434604168988 0.47284400514114 78.960 10 Se 0.92123961282393 0.27565395831012 0.97284400514114 78.960 11 Se 0.67679871871897 0.86476999256980 0.05934023113363 78.960 12 Se 0.67679871871897 0.63523000743020 0.55934023113363 78.960 13 Se 0.32320128128103 0.36476999256980 0.44065976886637 78.960 14 Se 0.32320128128103 0.13523000743020 0.94065976886637 78.960 15 Se 0.07876038717606 0.72434604168988 0.02715599485886 78.960 16 Se 0.07876038717606 0.77565395831012 0.52715599485886 78.960 17 O 0.61433046432003 0.41520732573925 0.14890102226389 15.999 18 O 0.61433046432003 0.08479267426075 0.64890102226389 15.999 19 O 0.38566953567997 0.91520732573925 0.35109897773611 15.999 20 O 0.38566953567997 0.58479267426075 0.85109897773611 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.880997750344552 0.000000000000000 0.000000000000000 b 0.000000000000000 14.790018899999998 0.000000000000000 c -2.453172406591152 0.000000000000000 14.519007049810666 Atomic positions (fractional): 1 La 0.85750786778558 0.27665915818286 0.12240174736449 138.905 > 1 2 La 0.85750786778558 0.77665915818286 0.12240174736449 138.905 > 1 3 La 0.85750786778558 0.27665915818286 0.62240174736449 138.905 > 1 4 La 0.85750786778558 0.77665915818286 0.62240174736449 138.905 > 1 5 La 0.85750786778558 0.47334084181714 0.37240174736449 138.905 > 5 6 La 0.85750786778558 0.97334084181714 0.37240174736449 138.905 > 5 7 La 0.85750786778558 0.47334084181714 0.87240174736449 138.905 > 5 8 La 0.85750786778558 0.97334084181714 0.87240174736449 138.905 > 5 9 La 0.57639410138754 0.07149108163010 0.16089343744695 138.905 > 9 10 La 0.57639410138754 0.57149108163010 0.16089343744695 138.905 > 9 11 La 0.57639410138754 0.07149108163010 0.66089343744695 138.905 > 9 12 La 0.57639410138754 0.57149108163010 0.66089343744695 138.905 > 9 13 La 0.57639410138754 0.17850891836990 0.41089343744695 138.905 > 13 14 La 0.57639410138754 0.67850891836990 0.41089343744695 138.905 > 13 15 La 0.57639410138754 0.17850891836990 0.91089343744695 138.905 > 13 16 La 0.57639410138754 0.67850891836990 0.91089343744695 138.905 > 13 17 La 0.42360589861246 0.32149108163010 0.08910656255305 138.905 > 17 18 La 0.42360589861246 0.82149108163010 0.08910656255305 138.905 > 17 19 La 0.42360589861246 0.32149108163010 0.58910656255305 138.905 > 17 20 La 0.42360589861246 0.82149108163010 0.58910656255305 138.905 > 17 21 La 0.42360589861246 0.42850891836990 0.33910656255305 138.905 > 21 22 La 0.42360589861246 0.92850891836990 0.33910656255305 138.905 > 21 23 La 0.42360589861246 0.42850891836990 0.83910656255305 138.905 > 21 24 La 0.42360589861246 0.92850891836990 0.83910656255305 138.905 > 21 25 La 0.14249213221442 0.02665915818286 0.12759825263551 138.905 > 25 26 La 0.14249213221442 0.52665915818286 0.12759825263551 138.905 > 25 27 La 0.14249213221442 0.02665915818286 0.62759825263551 138.905 > 25 28 La 0.14249213221442 0.52665915818286 0.62759825263551 138.905 > 25 29 La 0.14249213221442 0.22334084181714 0.37759825263551 138.905 > 29 30 La 0.14249213221442 0.72334084181714 0.37759825263551 138.905 > 29 31 La 0.14249213221442 0.22334084181714 0.87759825263551 138.905 > 29 32 La 0.14249213221442 0.72334084181714 0.87759825263551 138.905 > 29 33 Se 0.92123961282393 0.11217302084494 0.23642200257057 78.960 > 33 34 Se 0.92123961282393 0.61217302084494 0.23642200257057 78.960 > 33 35 Se 0.92123961282393 0.11217302084494 0.73642200257057 78.960 > 33 36 Se 0.92123961282393 0.61217302084494 0.73642200257057 78.960 > 33 37 Se 0.92123961282393 0.13782697915506 0.48642200257057 78.960 > 37 38 Se 0.92123961282393 0.63782697915506 0.48642200257057 78.960 > 37 39 Se 0.92123961282393 0.13782697915506 0.98642200257057 78.960 > 37 40 Se 0.92123961282393 0.63782697915506 0.98642200257057 78.960 > 37 41 Se 0.67679871871897 0.43238499628490 0.02967011556682 78.960 > 41 42 Se 0.67679871871897 0.93238499628490 0.02967011556682 78.960 > 41 43 Se 0.67679871871897 0.43238499628490 0.52967011556682 78.960 > 41 44 Se 0.67679871871897 0.93238499628490 0.52967011556682 78.960 > 41 45 Se 0.67679871871897 0.31761500371510 0.27967011556682 78.960 > 45 46 Se 0.67679871871897 0.81761500371510 0.27967011556682 78.960 > 45 47 Se 0.67679871871897 0.31761500371510 0.77967011556682 78.960 > 45 48 Se 0.67679871871897 0.81761500371510 0.77967011556682 78.960 > 45 49 Se 0.32320128128103 0.18238499628490 0.22032988443318 78.960 > 49 50 Se 0.32320128128103 0.68238499628490 0.22032988443318 78.960 > 49 51 Se 0.32320128128103 0.18238499628490 0.72032988443318 78.960 > 49 52 Se 0.32320128128103 0.68238499628490 0.72032988443318 78.960 > 49 53 Se 0.32320128128103 0.06761500371510 0.47032988443318 78.960 > 53 54 Se 0.32320128128103 0.56761500371510 0.47032988443318 78.960 > 53 55 Se 0.32320128128103 0.06761500371510 0.97032988443318 78.960 > 53 56 Se 0.32320128128103 0.56761500371510 0.97032988443318 78.960 > 53 57 Se 0.07876038717606 0.36217302084494 0.01357799742943 78.960 > 57 58 Se 0.07876038717606 0.86217302084494 0.01357799742943 78.960 > 57 59 Se 0.07876038717606 0.36217302084494 0.51357799742943 78.960 > 57 60 Se 0.07876038717606 0.86217302084494 0.51357799742943 78.960 > 57 61 Se 0.07876038717606 0.38782697915506 0.26357799742943 78.960 > 61 62 Se 0.07876038717606 0.88782697915506 0.26357799742943 78.960 > 61 63 Se 0.07876038717606 0.38782697915506 0.76357799742943 78.960 > 61 64 Se 0.07876038717606 0.88782697915506 0.76357799742943 78.960 > 61 65 O 0.61433046432003 0.20760366286963 0.07445051113194 15.999 > 65 66 O 0.61433046432003 0.70760366286963 0.07445051113194 15.999 > 65 67 O 0.61433046432003 0.20760366286963 0.57445051113195 15.999 > 65 68 O 0.61433046432003 0.70760366286963 0.57445051113195 15.999 > 65 69 O 0.61433046432003 0.04239633713037 0.32445051113195 15.999 > 69 70 O 0.61433046432003 0.54239633713037 0.32445051113195 15.999 > 69 71 O 0.61433046432003 0.04239633713037 0.82445051113195 15.999 > 69 72 O 0.61433046432003 0.54239633713037 0.82445051113195 15.999 > 69 73 O 0.38566953567997 0.45760366286963 0.17554948886805 15.999 > 73 74 O 0.38566953567997 0.95760366286963 0.17554948886805 15.999 > 73 75 O 0.38566953567997 0.45760366286963 0.67554948886805 15.999 > 73 76 O 0.38566953567997 0.95760366286963 0.67554948886805 15.999 > 73 77 O 0.38566953567997 0.29239633713037 0.42554948886805 15.999 > 77 78 O 0.38566953567997 0.79239633713037 0.42554948886805 15.999 > 77 79 O 0.38566953567997 0.29239633713037 0.92554948886805 15.999 > 77 80 O 0.38566953567997 0.79239633713037 0.92554948886805 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3132055 0.0000000 -0.3253562 0.0000000 7.3879405 0.0000000 -0.3254039 0.0000000 7.4751866 -------------------------- Born effective charges -------------------------- 1 La 4.1084521 -0.0633015 -0.1543931 0.0991697 4.2681682 -0.0300050 -0.1040391 -0.0610466 3.9792777 2 La 4.1084521 0.0633015 -0.1543931 -0.0991697 4.2681682 0.0300050 -0.1040391 0.0610466 3.9792777 3 La 4.1818323 0.3305564 -0.2164919 0.2069490 4.2757247 -0.1189296 -0.1521098 -0.0627924 4.3930464 4 La 4.1818323 -0.3305564 -0.2164919 -0.2069490 4.2757247 0.1189296 -0.1521098 0.0627924 4.3930464 5 La 4.1818323 -0.3305564 -0.2164919 -0.2069490 4.2757247 0.1189296 -0.1521098 0.0627924 4.3930464 6 La 4.1818323 0.3305564 -0.2164919 0.2069490 4.2757247 -0.1189296 -0.1521098 -0.0627924 4.3930464 7 La 4.1084521 0.0633015 -0.1543931 -0.0991697 4.2681682 0.0300050 -0.1040391 0.0610466 3.9792777 8 La 4.1084521 -0.0633015 -0.1543931 0.0991697 4.2681682 -0.0300050 -0.1040391 -0.0610466 3.9792777 9 Se -2.4410574 -0.2560766 -0.0617998 -0.1163434 -2.8109145 0.2894619 -0.0299865 0.4728510 -2.6277513 10 Se -2.4410574 0.2560766 -0.0617998 0.1163434 -2.8109145 -0.2894619 -0.0299865 -0.4728510 -2.6277513 11 Se -2.6345877 0.1506154 0.4440440 0.2051428 -2.5374951 0.2481209 0.3441001 0.2318542 -2.7208998 12 Se -2.6345877 -0.1506154 0.4440440 -0.2051428 -2.5374951 -0.2481209 0.3441001 -0.2318542 -2.7208998 13 Se -2.6345877 -0.1506154 0.4440440 -0.2051428 -2.5374951 -0.2481209 0.3441001 -0.2318542 -2.7208998 14 Se -2.6345877 0.1506154 0.4440440 0.2051428 -2.5374951 0.2481209 0.3441001 0.2318542 -2.7208998 15 Se -2.4410574 0.2560766 -0.0617998 0.1163434 -2.8109145 -0.2894619 -0.0299865 -0.4728510 -2.6277513 16 Se -2.4410574 -0.2560766 -0.0617998 -0.1163434 -2.8109145 0.2894619 -0.0299865 0.4728510 -2.6277513 17 O -3.2146392 -0.1662551 -0.0113592 -0.2565249 -3.1954834 -0.1165160 -0.0579646 -0.1636380 -3.0236730 18 O -3.2146392 0.1662551 -0.0113592 0.2565249 -3.1954834 0.1165160 -0.0579646 0.1636380 -3.0236730 19 O -3.2146392 0.1662551 -0.0113592 0.2565249 -3.1954834 0.1165160 -0.0579646 0.1636380 -3.0236730 20 O -3.2146392 -0.1662551 -0.0113592 -0.2565249 -3.1954834 -0.1165160 -0.0579646 -0.1636380 -3.0236730 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) 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 23:15:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:15:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.880997750344552 0.000000000000000 0.000000000000000 b 0.000000000000000 7.395009449999999 0.000000000000000 c -1.226586203295576 0.000000000000000 7.259503524905333 Atomic positions (fractional): 1 La 0.85750786778558 0.55331831636572 0.24480349472897 138.905 2 La 0.85750786778558 0.94668168363428 0.74480349472897 138.905 3 La 0.57639410138754 0.14298216326019 0.32178687489390 138.905 4 La 0.57639410138754 0.35701783673981 0.82178687489390 138.905 5 La 0.42360589861246 0.64298216326019 0.17821312510610 138.905 6 La 0.42360589861246 0.85701783673981 0.67821312510610 138.905 7 La 0.14249213221442 0.05331831636572 0.25519650527103 138.905 8 La 0.14249213221442 0.44668168363428 0.75519650527103 138.905 9 Se 0.92123961282393 0.22434604168988 0.47284400514114 78.960 10 Se 0.92123961282393 0.27565395831012 0.97284400514114 78.960 11 Se 0.67679871871897 0.86476999256980 0.05934023113363 78.960 12 Se 0.67679871871897 0.63523000743020 0.55934023113363 78.960 13 Se 0.32320128128103 0.36476999256980 0.44065976886637 78.960 14 Se 0.32320128128103 0.13523000743020 0.94065976886637 78.960 15 Se 0.07876038717606 0.72434604168988 0.02715599485886 78.960 16 Se 0.07876038717606 0.77565395831012 0.52715599485886 78.960 17 O 0.61433046432003 0.41520732573925 0.14890102226389 15.999 18 O 0.61433046432003 0.08479267426075 0.64890102226389 15.999 19 O 0.38566953567997 0.91520732573925 0.35109897773611 15.999 20 O 0.38566953567997 0.58479267426075 0.85109897773611 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.880997750344552 0.000000000000000 0.000000000000000 b 0.000000000000000 14.790018899999998 0.000000000000000 c -2.453172406591152 0.000000000000000 14.519007049810666 Atomic positions (fractional): 1 La 0.85750786778558 0.27665915818286 0.12240174736449 138.905 > 1 2 La 0.85750786778558 0.77665915818286 0.12240174736449 138.905 > 1 3 La 0.85750786778558 0.27665915818286 0.62240174736449 138.905 > 1 4 La 0.85750786778558 0.77665915818286 0.62240174736449 138.905 > 1 5 La 0.85750786778558 0.47334084181714 0.37240174736449 138.905 > 5 6 La 0.85750786778558 0.97334084181714 0.37240174736449 138.905 > 5 7 La 0.85750786778558 0.47334084181714 0.87240174736449 138.905 > 5 8 La 0.85750786778558 0.97334084181714 0.87240174736449 138.905 > 5 9 La 0.57639410138754 0.07149108163010 0.16089343744695 138.905 > 9 10 La 0.57639410138754 0.57149108163010 0.16089343744695 138.905 > 9 11 La 0.57639410138754 0.07149108163010 0.66089343744695 138.905 > 9 12 La 0.57639410138754 0.57149108163010 0.66089343744695 138.905 > 9 13 La 0.57639410138754 0.17850891836990 0.41089343744695 138.905 > 13 14 La 0.57639410138754 0.67850891836990 0.41089343744695 138.905 > 13 15 La 0.57639410138754 0.17850891836990 0.91089343744695 138.905 > 13 16 La 0.57639410138754 0.67850891836990 0.91089343744695 138.905 > 13 17 La 0.42360589861246 0.32149108163010 0.08910656255305 138.905 > 17 18 La 0.42360589861246 0.82149108163010 0.08910656255305 138.905 > 17 19 La 0.42360589861246 0.32149108163010 0.58910656255305 138.905 > 17 20 La 0.42360589861246 0.82149108163010 0.58910656255305 138.905 > 17 21 La 0.42360589861246 0.42850891836990 0.33910656255305 138.905 > 21 22 La 0.42360589861246 0.92850891836990 0.33910656255305 138.905 > 21 23 La 0.42360589861246 0.42850891836990 0.83910656255305 138.905 > 21 24 La 0.42360589861246 0.92850891836990 0.83910656255305 138.905 > 21 25 La 0.14249213221442 0.02665915818286 0.12759825263551 138.905 > 25 26 La 0.14249213221442 0.52665915818286 0.12759825263551 138.905 > 25 27 La 0.14249213221442 0.02665915818286 0.62759825263551 138.905 > 25 28 La 0.14249213221442 0.52665915818286 0.62759825263551 138.905 > 25 29 La 0.14249213221442 0.22334084181714 0.37759825263551 138.905 > 29 30 La 0.14249213221442 0.72334084181714 0.37759825263551 138.905 > 29 31 La 0.14249213221442 0.22334084181714 0.87759825263551 138.905 > 29 32 La 0.14249213221442 0.72334084181714 0.87759825263551 138.905 > 29 33 Se 0.92123961282393 0.11217302084494 0.23642200257057 78.960 > 33 34 Se 0.92123961282393 0.61217302084494 0.23642200257057 78.960 > 33 35 Se 0.92123961282393 0.11217302084494 0.73642200257057 78.960 > 33 36 Se 0.92123961282393 0.61217302084494 0.73642200257057 78.960 > 33 37 Se 0.92123961282393 0.13782697915506 0.48642200257057 78.960 > 37 38 Se 0.92123961282393 0.63782697915506 0.48642200257057 78.960 > 37 39 Se 0.92123961282393 0.13782697915506 0.98642200257057 78.960 > 37 40 Se 0.92123961282393 0.63782697915506 0.98642200257057 78.960 > 37 41 Se 0.67679871871897 0.43238499628490 0.02967011556682 78.960 > 41 42 Se 0.67679871871897 0.93238499628490 0.02967011556682 78.960 > 41 43 Se 0.67679871871897 0.43238499628490 0.52967011556682 78.960 > 41 44 Se 0.67679871871897 0.93238499628490 0.52967011556682 78.960 > 41 45 Se 0.67679871871897 0.31761500371510 0.27967011556682 78.960 > 45 46 Se 0.67679871871897 0.81761500371510 0.27967011556682 78.960 > 45 47 Se 0.67679871871897 0.31761500371510 0.77967011556682 78.960 > 45 48 Se 0.67679871871897 0.81761500371510 0.77967011556682 78.960 > 45 49 Se 0.32320128128103 0.18238499628490 0.22032988443318 78.960 > 49 50 Se 0.32320128128103 0.68238499628490 0.22032988443318 78.960 > 49 51 Se 0.32320128128103 0.18238499628490 0.72032988443318 78.960 > 49 52 Se 0.32320128128103 0.68238499628490 0.72032988443318 78.960 > 49 53 Se 0.32320128128103 0.06761500371510 0.47032988443318 78.960 > 53 54 Se 0.32320128128103 0.56761500371510 0.47032988443318 78.960 > 53 55 Se 0.32320128128103 0.06761500371510 0.97032988443318 78.960 > 53 56 Se 0.32320128128103 0.56761500371510 0.97032988443318 78.960 > 53 57 Se 0.07876038717606 0.36217302084494 0.01357799742943 78.960 > 57 58 Se 0.07876038717606 0.86217302084494 0.01357799742943 78.960 > 57 59 Se 0.07876038717606 0.36217302084494 0.51357799742943 78.960 > 57 60 Se 0.07876038717606 0.86217302084494 0.51357799742943 78.960 > 57 61 Se 0.07876038717606 0.38782697915506 0.26357799742943 78.960 > 61 62 Se 0.07876038717606 0.88782697915506 0.26357799742943 78.960 > 61 63 Se 0.07876038717606 0.38782697915506 0.76357799742943 78.960 > 61 64 Se 0.07876038717606 0.88782697915506 0.76357799742943 78.960 > 61 65 O 0.61433046432003 0.20760366286963 0.07445051113194 15.999 > 65 66 O 0.61433046432003 0.70760366286963 0.07445051113194 15.999 > 65 67 O 0.61433046432003 0.20760366286963 0.57445051113195 15.999 > 65 68 O 0.61433046432003 0.70760366286963 0.57445051113195 15.999 > 65 69 O 0.61433046432003 0.04239633713037 0.32445051113195 15.999 > 69 70 O 0.61433046432003 0.54239633713037 0.32445051113195 15.999 > 69 71 O 0.61433046432003 0.04239633713037 0.82445051113195 15.999 > 69 72 O 0.61433046432003 0.54239633713037 0.82445051113195 15.999 > 69 73 O 0.38566953567997 0.45760366286963 0.17554948886805 15.999 > 73 74 O 0.38566953567997 0.95760366286963 0.17554948886805 15.999 > 73 75 O 0.38566953567997 0.45760366286963 0.67554948886805 15.999 > 73 76 O 0.38566953567997 0.95760366286963 0.67554948886805 15.999 > 73 77 O 0.38566953567997 0.29239633713037 0.42554948886805 15.999 > 77 78 O 0.38566953567997 0.79239633713037 0.42554948886805 15.999 > 77 79 O 0.38566953567997 0.29239633713037 0.92554948886805 15.999 > 77 80 O 0.38566953567997 0.79239633713037 0.92554948886805 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3132055 0.0000000 -0.3253562 0.0000000 7.3879405 0.0000000 -0.3254039 0.0000000 7.4751866 -------------------------- Born effective charges -------------------------- 1 La 4.1084521 -0.0633015 -0.1543931 0.0991697 4.2681682 -0.0300050 -0.1040391 -0.0610466 3.9792777 2 La 4.1084521 0.0633015 -0.1543931 -0.0991697 4.2681682 0.0300050 -0.1040391 0.0610466 3.9792777 3 La 4.1818323 0.3305564 -0.2164919 0.2069490 4.2757247 -0.1189296 -0.1521098 -0.0627924 4.3930464 4 La 4.1818323 -0.3305564 -0.2164919 -0.2069490 4.2757247 0.1189296 -0.1521098 0.0627924 4.3930464 5 La 4.1818323 -0.3305564 -0.2164919 -0.2069490 4.2757247 0.1189296 -0.1521098 0.0627924 4.3930464 6 La 4.1818323 0.3305564 -0.2164919 0.2069490 4.2757247 -0.1189296 -0.1521098 -0.0627924 4.3930464 7 La 4.1084521 0.0633015 -0.1543931 -0.0991697 4.2681682 0.0300050 -0.1040391 0.0610466 3.9792777 8 La 4.1084521 -0.0633015 -0.1543931 0.0991697 4.2681682 -0.0300050 -0.1040391 -0.0610466 3.9792777 9 Se -2.4410574 -0.2560766 -0.0617998 -0.1163434 -2.8109145 0.2894619 -0.0299865 0.4728510 -2.6277513 10 Se -2.4410574 0.2560766 -0.0617998 0.1163434 -2.8109145 -0.2894619 -0.0299865 -0.4728510 -2.6277513 11 Se -2.6345877 0.1506154 0.4440440 0.2051428 -2.5374951 0.2481209 0.3441001 0.2318542 -2.7208998 12 Se -2.6345877 -0.1506154 0.4440440 -0.2051428 -2.5374951 -0.2481209 0.3441001 -0.2318542 -2.7208998 13 Se -2.6345877 -0.1506154 0.4440440 -0.2051428 -2.5374951 -0.2481209 0.3441001 -0.2318542 -2.7208998 14 Se -2.6345877 0.1506154 0.4440440 0.2051428 -2.5374951 0.2481209 0.3441001 0.2318542 -2.7208998 15 Se -2.4410574 0.2560766 -0.0617998 0.1163434 -2.8109145 -0.2894619 -0.0299865 -0.4728510 -2.6277513 16 Se -2.4410574 -0.2560766 -0.0617998 -0.1163434 -2.8109145 0.2894619 -0.0299865 0.4728510 -2.6277513 17 O -3.2146392 -0.1662551 -0.0113592 -0.2565249 -3.1954834 -0.1165160 -0.0579646 -0.1636380 -3.0236730 18 O -3.2146392 0.1662551 -0.0113592 0.2565249 -3.1954834 0.1165160 -0.0579646 0.1636380 -3.0236730 19 O -3.2146392 0.1662551 -0.0113592 0.2565249 -3.1954834 0.1165160 -0.0579646 0.1636380 -3.0236730 20 O -3.2146392 -0.1662551 -0.0113592 -0.2565249 -3.1954834 -0.1165160 -0.0579646 -0.1636380 -3.0236730 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 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: 0.53, Number of G-points: 305, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 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 1.431 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.905 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.154 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 20.367 0.000 -0.376) 20.371 0.446 ( 23.709 0.000 -0.828) 23.723 0.713 ( 37.042 0.000 -0.751) 37.049 1.436 ( 0.350 0.000 -0.777) 0.853 1.790 ( 1.044 0.000 2.547) 2.753 1.953 ( -16.711 0.000 2.034) 16.834 2.316 ( -10.933 0.000 0.848) 10.966 2.402 ( 3.219 0.000 -1.883) 3.729 2.453 ( 0.347 0.000 3.256) 3.274 2.591 ( 5.417 0.000 0.557) 5.446 2.672 ( 0.711 0.000 0.199) 0.738 2.807 ( 1.613 0.000 -2.407) 2.898 2.869 ( -3.941 0.000 7.276) 8.275 2.905 ( 5.702 0.000 -4.676) 7.375 2.973 ( -3.082 0.000 2.365) 3.885 3.090 ( 1.579 0.000 -1.120) 1.936 3.118 ( -1.557 0.000 3.364) 3.707 3.282 ( -4.728 0.000 5.792) 7.477 3.284 ( -1.331 0.000 -0.563) 1.445 3.415 ( 0.342 0.000 0.188) 0.390 3.448 ( -6.362 0.000 4.786) 7.961 3.458 ( -0.224 0.000 -7.010) 7.013 3.621 ( -0.823 0.000 4.895) 4.964 3.664 ( 3.405 0.000 -8.803) 9.438 3.749 ( -4.278 0.000 1.957) 4.705 3.759 ( 0.401 0.000 0.289) 0.494 3.834 ( -9.736 0.000 -2.279) 9.999 4.043 ( 3.683 0.000 1.626) 4.026 4.071 ( -0.226 0.000 -0.527) 0.574 4.117 ( 0.415 0.000 -4.859) 4.876 4.264 ( 1.987 0.000 0.211) 1.998 4.291 ( -4.631 0.000 3.759) 5.964 4.329 ( 2.124 0.000 -1.895) 2.846 4.411 ( 3.521 0.000 0.892) 3.632 4.459 ( 7.551 0.000 4.265) 8.672 4.561 ( 0.549 0.000 -1.060) 1.194 4.649 ( 2.685 0.000 -0.452) 2.723 4.746 ( -1.484 0.000 20.602) 20.656 4.794 ( -7.650 0.000 -0.779) 7.689 4.826 ( 0.852 0.000 2.637) 2.771 4.978 ( -2.155 0.000 -1.636) 2.705 5.010 ( 1.533 0.000 1.571) 2.195 5.038 ( 1.516 0.000 -12.774) 12.864 5.160 ( 2.465 0.000 -2.458) 3.481 5.385 ( -1.516 0.000 0.162) 1.524 5.523 ( 1.153 0.000 -0.564) 1.283 5.702 ( 3.927 0.000 -17.153) 17.597 6.113 ( -0.124 0.000 0.027) 0.127 8.186 ( -0.167 0.000 -0.039) 0.171 8.276 ( 2.859 0.000 -17.249) 17.484 8.592 ( -0.579 0.000 0.069) 0.583 8.611 ( 1.181 0.000 -0.417) 1.253 8.751 ( -0.051 0.000 0.208) 0.214 9.358 ( -0.332 0.000 -0.785) 0.853 9.457 ( 0.165 0.000 1.196) 1.207 11.044 ( 1.205 0.000 0.116) 1.210 11.162 ( 0.879 0.000 -0.665) 1.102 11.250 ( -1.883 0.000 4.421) 4.805 11.757 ( -2.853 0.000 13.027) 13.336 12.387 ( -0.184 0.000 -0.437) 0.474 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 20.385 0.000 -0.562) 20.393 0.878 ( 22.144 0.000 -0.824) 22.159 1.353 ( 29.774 0.000 -0.787) 29.784 1.399 ( -6.562 0.000 -0.967) 6.633 1.668 ( -11.573 0.000 1.786) 11.710 1.704 ( -12.679 0.000 2.139) 12.858 2.215 ( 1.884 0.000 2.793) 3.369 2.426 ( 0.792 0.000 -0.911) 1.207 2.493 ( 1.068 0.000 1.242) 1.638 2.606 ( -6.007 0.000 0.962) 6.083 2.638 ( -3.964 0.000 0.673) 4.020 2.818 ( 0.155 0.000 -3.064) 3.068 2.834 ( -0.474 0.000 1.820) 1.880 2.869 ( -1.067 0.000 -0.720) 1.287 3.065 ( 5.717 0.000 -2.195) 6.124 3.079 ( -1.575 0.000 -1.989) 2.537 3.089 ( -3.936 0.000 4.660) 6.099 3.252 ( -2.468 0.000 0.614) 2.543 3.286 ( 5.199 0.000 1.819) 5.508 3.351 ( -2.988 0.000 4.004) 4.996 3.398 ( -2.792 0.000 -0.018) 2.793 3.445 ( 1.181 0.000 -6.331) 6.440 3.539 ( -8.527 0.000 5.945) 10.395 3.637 ( -7.850 0.000 1.361) 7.967 3.706 ( -1.528 0.000 -2.597) 3.013 3.710 ( 1.162 0.000 -6.618) 6.719 3.755 ( 2.162 0.000 -1.578) 2.676 4.069 ( 0.464 0.000 -0.270) 0.537 4.119 ( 2.982 0.000 0.508) 3.025 4.138 ( 1.968 0.000 -3.032) 3.615 4.195 ( -6.369 0.000 4.296) 7.682 4.312 ( 2.445 0.000 0.228) 2.456 4.377 ( 4.358 0.000 -0.274) 4.367 4.494 ( 3.808 0.000 0.928) 3.919 4.584 ( 2.781 0.000 -2.014) 3.434 4.612 ( 6.434 0.000 2.238) 6.812 4.642 ( -7.914 0.000 -0.866) 7.962 4.694 ( 1.599 0.000 0.656) 1.729 4.795 ( 2.011 0.000 7.244) 7.518 4.839 ( -1.240 0.000 4.636) 4.799 4.926 ( -1.755 0.000 -3.620) 4.023 4.981 ( -2.797 0.000 -4.329) 5.154 5.041 ( -0.142 0.000 0.853) 0.865 5.200 ( 1.955 0.000 -1.298) 2.347 5.357 ( -1.318 0.000 0.092) 1.322 5.542 ( 0.889 0.000 -0.491) 1.015 5.725 ( 2.103 0.000 -5.424) 5.817 6.111 ( -0.115 0.000 0.024) 0.117 8.184 ( -0.054 0.000 -0.019) 0.058 8.275 ( 0.955 0.000 -5.778) 5.856 8.579 ( -0.654 0.000 0.054) 0.656 8.633 ( 1.153 0.000 -0.427) 1.229 8.751 ( -0.046 0.000 0.226) 0.231 9.349 ( -0.319 0.000 -0.624) 0.701 9.464 ( 0.130 0.000 1.025) 1.033 11.069 ( 1.207 0.000 0.128) 1.213 11.178 ( 0.938 0.000 -0.722) 1.184 11.227 ( -1.415 0.000 1.517) 2.074 11.743 ( -1.497 0.000 4.769) 4.999 12.382 ( -0.189 0.000 -0.442) 0.481 ======================= Grid point 3 (4/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.000 0.000 -0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.178 ( -0.000 0.000 0.000) 0.000 1.480 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 -0.000) 0.000 1.688 ( -0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.468 ( -0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 -0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 -0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 -0.000) 0.000 3.414 ( -0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 -0.000) 0.000 3.484 ( -0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 -0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 -0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 4.099 ( -0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 -0.000) 0.000 4.149 ( 0.000 0.000 -0.000) 0.000 4.150 ( -0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 -0.000) 0.000 4.490 ( -0.000 0.000 -0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.856 ( -0.000 0.000 -0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 -0.000) 0.000 8.183 ( 0.000 0.000 -0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.572 ( 0.000 0.000 0.000) 0.000 8.644 ( 0.000 0.000 0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 9.345 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 -0.000) 0.000 11.082 ( 0.000 0.000 -0.000) 0.000 11.187 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 11.735 ( 0.000 0.000 0.000) 0.000 12.379 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 0.000 23.462 0.000) 23.462 0.500 ( 0.000 25.316 0.000) 25.316 0.793 ( 0.000 40.140 0.000) 40.140 1.560 ( 0.000 11.787 0.000) 11.787 1.801 ( 0.000 3.486 0.000) 3.486 2.155 ( 0.000 -3.795 0.000) 3.795 2.334 ( 0.000 3.702 0.000) 3.702 2.401 ( 0.000 0.561 0.000) 0.561 2.446 ( 0.000 -8.565 0.000) 8.565 2.572 ( 0.000 0.365 0.000) 0.365 2.591 ( 0.000 -7.205 0.000) 7.205 2.714 ( 0.000 -9.349 0.000) 9.349 2.767 ( 0.000 -2.860 0.000) 2.860 2.842 ( 0.000 -1.616 0.000) 1.616 3.023 ( 0.000 -5.694 0.000) 5.694 3.107 ( 0.000 -1.006 0.000) 1.006 3.229 ( 0.000 6.339 0.000) 6.339 3.259 ( 0.000 -2.051 0.000) 2.051 3.386 ( 0.000 2.580 0.000) 2.580 3.398 ( 0.000 -3.810 0.000) 3.810 3.464 ( 0.000 -1.501 0.000) 1.501 3.514 ( 0.000 0.757 0.000) 0.757 3.589 ( 0.000 2.101 0.000) 2.101 3.720 ( 0.000 -1.759 0.000) 1.759 3.741 ( 0.000 0.899 0.000) 0.899 3.830 ( 0.000 -1.652 0.000) 1.652 3.833 ( 0.000 4.749 0.000) 4.749 3.987 ( 0.000 -1.327 0.000) 1.327 4.025 ( 0.000 -0.298 0.000) 0.298 4.121 ( 0.000 2.247 0.000) 2.247 4.153 ( 0.000 -8.135 0.000) 8.135 4.306 ( 0.000 2.110 0.000) 2.110 4.337 ( 0.000 3.148 0.000) 3.148 4.353 ( 0.000 0.315 0.000) 0.315 4.396 ( 0.000 5.132 0.000) 5.132 4.567 ( 0.000 3.060 0.000) 3.060 4.593 ( 0.000 -2.498 0.000) 2.498 4.754 ( 0.000 0.649 0.000) 0.649 4.804 ( 0.000 -6.597 0.000) 6.597 4.861 ( 0.000 0.377 0.000) 0.377 4.918 ( 0.000 -1.293 0.000) 1.293 4.990 ( 0.000 5.869 0.000) 5.869 5.043 ( 0.000 -2.163 0.000) 2.163 5.123 ( 0.000 -1.446 0.000) 1.446 5.239 ( 0.000 0.137 0.000) 0.137 5.533 ( 0.000 2.370 0.000) 2.370 5.851 ( 0.000 -0.576 0.000) 0.576 6.081 ( 0.000 -3.576 0.000) 3.576 8.255 ( 0.000 1.624 0.000) 1.624 8.587 ( 0.000 -1.177 0.000) 1.177 8.601 ( 0.000 0.290 0.000) 0.290 8.727 ( 0.000 -2.164 0.000) 2.164 8.914 ( 0.000 4.962 0.000) 4.962 9.387 ( 0.000 2.194 0.000) 2.194 9.874 ( 0.000 -2.838 0.000) 2.838 10.777 ( 0.000 -8.100 0.000) 8.100 10.902 ( 0.000 -4.144 0.000) 4.144 11.283 ( 0.000 1.593 0.000) 1.593 11.521 ( 0.000 15.498 0.000) 15.498 12.368 ( 0.000 -2.287 0.000) 2.287 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 7.376 17.825 4.796) 19.878 0.626 ( 15.368 17.368 0.725) 23.203 1.115 ( 24.839 28.759 -3.312) 38.145 1.556 ( -0.267 11.244 -0.666) 11.267 1.808 ( -1.643 2.112 2.024) 3.355 1.977 ( -11.874 2.358 1.010) 12.148 2.286 ( -11.059 -2.557 1.110) 11.405 2.396 ( 1.146 -3.203 -3.200) 4.670 2.454 ( 0.930 -0.585 3.179) 3.364 2.536 ( 4.163 -5.092 0.623) 6.607 2.675 ( 4.162 0.397 -0.467) 4.206 2.689 ( -0.075 -7.857 -0.056) 7.858 2.833 ( -1.272 -3.347 3.297) 4.868 2.888 ( 6.706 -4.061 -0.780) 7.879 2.973 ( -3.925 0.337 -0.347) 3.955 3.096 ( -1.697 -0.221 -0.957) 1.961 3.196 ( 0.331 5.368 0.142) 5.380 3.239 ( -2.657 -2.801 2.053) 4.373 3.343 ( -4.813 1.170 2.185) 5.413 3.405 ( 0.609 0.427 1.597) 1.761 3.439 ( -4.187 0.125 3.353) 5.366 3.453 ( -0.770 -0.272 -5.915) 5.971 3.652 ( 1.621 0.720 -5.462) 5.742 3.659 ( -4.442 -0.060 0.851) 4.523 3.727 ( -1.749 -0.741 3.175) 3.700 3.766 ( -2.228 1.286 0.309) 2.591 3.865 ( -7.606 2.574 -1.078) 8.101 3.961 ( 4.886 -6.116 -4.305) 8.933 4.046 ( 3.349 -0.913 0.125) 3.474 4.104 ( -1.281 1.013 -1.390) 2.145 4.168 ( 0.854 -8.016 1.515) 8.202 4.281 ( -1.288 -0.152 0.139) 1.305 4.364 ( 2.827 2.862 -1.941) 4.466 4.429 ( 5.577 -0.517 2.160) 6.003 4.508 ( 3.947 3.114 3.904) 6.365 4.535 ( 0.345 -2.098 1.192) 2.438 4.624 ( 0.490 0.495 2.492) 2.587 4.740 ( -4.472 -3.517 0.580) 5.719 4.803 ( 1.482 2.538 6.136) 6.804 4.848 ( -2.034 0.513 2.244) 3.072 4.961 ( 3.716 -1.464 -1.564) 4.289 5.019 ( 2.722 2.330 -9.410) 10.069 5.048 ( -0.463 -0.275 -1.057) 1.187 5.136 ( 1.639 -1.887 -0.252) 2.512 5.278 ( 4.247 -3.698 1.007) 5.721 5.525 ( -0.929 2.731 -0.582) 2.943 5.779 ( -3.253 2.157 -6.032) 7.185 6.085 ( -0.130 -3.417 0.940) 3.546 8.259 ( 0.133 1.776 1.884) 2.592 8.544 ( -9.698 9.220 -6.584) 14.913 8.595 ( 0.509 -0.738 -0.604) 1.081 8.635 ( -3.388 5.437 -3.895) 7.497 8.767 ( -1.765 3.970 -1.687) 4.661 9.374 ( -0.994 1.328 -1.522) 2.252 9.652 ( -6.380 13.655 1.698) 15.167 10.911 ( 0.875 -5.448 0.118) 5.519 11.127 ( 14.208 -25.465 3.354) 29.353 11.269 ( -1.245 1.460 -0.178) 1.927 11.512 ( -2.679 9.453 9.401) 13.599 12.422 ( 3.532 -0.773 -2.847) 4.602 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 17.904 3.798 2.554) 18.480 0.967 ( 19.645 10.411 0.343) 22.236 1.411 ( -4.858 2.896 -2.711) 6.272 1.553 ( 0.961 14.413 1.181) 14.493 1.688 ( -6.937 4.153 -2.529) 8.472 1.880 ( 4.902 15.501 3.233) 16.576 2.178 ( 1.138 -3.462 2.150) 4.231 2.417 ( 2.124 -2.559 -2.317) 4.054 2.493 ( -0.439 0.017 1.804) 1.857 2.544 ( -1.828 -5.545 0.669) 5.876 2.656 ( -5.405 -0.203 2.724) 6.056 2.721 ( 0.126 -6.277 -0.295) 6.285 2.847 ( 2.750 0.876 0.396) 2.914 2.886 ( -1.824 2.381 -0.793) 3.102 3.022 ( 4.175 -2.618 -2.125) 5.367 3.064 ( 0.131 -1.736 -0.633) 1.852 3.156 ( -3.307 3.258 0.056) 4.643 3.247 ( -4.968 -0.295 1.807) 5.295 3.298 ( 6.248 0.879 1.085) 6.402 3.376 ( -3.377 -2.321 2.350) 4.723 3.383 ( -3.488 2.263 5.641) 7.008 3.420 ( -2.206 -2.035 -6.915) 7.538 3.547 ( -2.752 0.110 -2.443) 3.682 3.616 ( -4.337 -0.691 -2.576) 5.091 3.656 ( -5.486 2.499 2.729) 6.618 3.739 ( -2.228 0.690 -1.075) 2.568 3.814 ( 2.783 2.192 -2.247) 4.195 4.022 ( 2.261 -8.227 -1.179) 8.613 4.064 ( -1.175 -0.457 -0.169) 1.272 4.102 ( 1.116 -3.551 -0.189) 3.727 4.206 ( 2.465 -5.419 -0.774) 6.004 4.262 ( -0.605 0.389 0.490) 0.870 4.413 ( 1.479 2.594 -0.866) 3.109 4.481 ( 0.085 -1.995 0.177) 2.004 4.547 ( 1.402 -2.679 4.155) 5.139 4.609 ( 2.397 0.569 1.813) 3.059 4.647 ( 1.535 1.117 1.638) 2.508 4.699 ( 2.176 -0.299 0.087) 2.198 4.813 ( -1.518 1.349 3.533) 4.075 4.852 ( 1.810 -1.309 2.647) 3.464 4.967 ( -3.076 2.340 -3.475) 5.198 5.000 ( -2.866 2.795 -2.103) 4.521 5.028 ( 0.523 0.154 -1.746) 1.829 5.173 ( 1.983 -2.326 -1.094) 3.246 5.370 ( 3.919 -0.843 1.720) 4.362 5.494 ( -1.557 1.195 -1.974) 2.784 5.744 ( 0.607 0.619 -3.286) 3.398 6.081 ( -0.403 -3.260 0.628) 3.344 8.271 ( 0.245 1.990 3.392) 3.940 8.378 ( -3.916 12.575 -7.522) 15.167 8.591 ( -0.483 0.904 -0.044) 1.026 8.635 ( 1.109 0.382 -0.636) 1.334 8.754 ( -0.202 0.862 -0.152) 0.898 9.349 ( -0.932 -0.121 -1.154) 1.488 9.608 ( -0.922 12.612 2.143) 12.826 10.930 ( 0.862 -5.472 0.169) 5.542 11.241 ( -1.601 1.051 2.515) 3.161 11.300 ( 6.790 -22.037 -6.830) 24.050 11.480 ( -3.915 7.546 9.552) 12.787 12.455 ( 1.059 2.569 -1.628) 3.221 ======================= Grid point 10 (8/88) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 4.857 -0.000) 4.857 1.138 ( 0.000 -5.843 0.000) 5.843 1.304 ( -0.000 1.008 0.000) 1.008 1.375 ( 0.000 14.671 0.000) 14.671 1.629 ( 0.000 5.387 -0.000) 5.387 2.071 ( -0.000 24.155 0.000) 24.155 2.226 ( 0.000 -5.367 0.000) 5.367 2.441 ( 0.000 -2.148 -0.000) 2.148 2.465 ( 0.000 -1.901 -0.000) 1.901 2.477 ( -0.000 0.029 0.000) 0.029 2.604 ( 0.000 -0.066 0.000) 0.066 2.717 ( 0.000 -6.713 0.000) 6.713 2.872 ( 0.000 2.366 -0.000) 2.366 2.875 ( -0.000 2.849 0.000) 2.849 3.039 ( 0.000 -2.720 0.000) 2.720 3.080 ( -0.000 -2.718 0.000) 2.718 3.122 ( 0.000 7.060 -0.000) 7.060 3.211 ( 0.000 -0.907 0.000) 0.907 3.313 ( 0.000 -3.512 -0.000) 3.512 3.350 ( 0.000 -7.312 -0.000) 7.312 3.374 ( 0.000 2.656 0.000) 2.656 3.457 ( 0.000 -3.606 0.000) 3.606 3.475 ( -0.000 4.319 0.000) 4.319 3.559 ( -0.000 7.527 0.000) 7.527 3.596 ( 0.000 -4.505 -0.000) 4.505 3.712 ( 0.000 1.413 0.000) 1.413 3.850 ( 0.000 1.420 -0.000) 1.420 4.029 ( 0.000 -6.254 0.000) 6.254 4.066 ( 0.000 -2.333 -0.000) 2.333 4.104 ( 0.000 -5.982 0.000) 5.982 4.230 ( 0.000 3.148 -0.000) 3.148 4.261 ( -0.000 -5.676 0.000) 5.676 4.412 ( 0.000 -3.028 -0.000) 3.028 4.505 ( 0.000 1.458 -0.000) 1.458 4.554 ( -0.000 -1.237 0.000) 1.237 4.594 ( 0.000 1.164 0.000) 1.164 4.690 ( 0.000 -2.435 0.000) 2.435 4.783 ( 0.000 5.603 0.000) 5.603 4.813 ( 0.000 -2.471 0.000) 2.471 4.847 ( -0.000 -4.187 -0.000) 4.187 4.930 ( -0.000 1.935 -0.000) 1.935 4.939 ( 0.000 5.692 0.000) 5.692 5.031 ( 0.000 0.325 0.000) 0.325 5.191 ( 0.000 -2.232 0.000) 2.232 5.414 ( 0.000 6.126 0.000) 6.126 5.470 ( -0.000 -4.166 -0.000) 4.166 5.750 ( 0.000 0.123 0.000) 0.123 6.078 ( 0.000 -3.341 0.000) 3.341 8.284 ( 0.000 1.125 -0.000) 1.125 8.329 ( 0.000 11.886 0.000) 11.886 8.585 ( 0.000 1.138 -0.000) 1.138 8.646 ( 0.000 0.209 -0.000) 0.209 8.752 ( 0.000 0.503 0.000) 0.503 9.338 ( 0.000 -0.792 0.000) 0.792 9.604 ( 0.000 12.384 -0.000) 12.384 10.939 ( 0.000 -5.542 0.000) 5.542 11.229 ( 0.000 1.150 0.000) 1.150 11.363 ( 0.000 -31.000 0.000) 31.000 11.445 ( 0.000 17.327 0.000) 17.327 12.461 ( 0.000 3.601 0.000) 3.601 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 22.666 0.000) 22.666 0.968 ( 0.000 22.867 0.000) 22.867 1.514 ( 0.000 31.977 0.000) 31.977 1.752 ( 0.000 2.129 0.000) 2.129 1.910 ( 0.000 10.979 0.000) 10.979 2.077 ( 0.000 -3.424 0.000) 3.424 2.207 ( 0.000 -13.010 0.000) 13.010 2.403 ( 0.000 -0.707 0.000) 0.707 2.422 ( 0.000 -10.657 0.000) 10.657 2.430 ( 0.000 4.645 0.000) 4.645 2.558 ( 0.000 -2.652 0.000) 2.652 2.619 ( 0.000 2.282 0.000) 2.282 2.723 ( 0.000 -1.214 0.000) 1.214 2.812 ( 0.000 -0.867 0.000) 0.867 2.934 ( 0.000 -2.654 0.000) 2.654 3.060 ( 0.000 -2.996 0.000) 2.996 3.216 ( 0.000 -2.631 0.000) 2.631 3.300 ( 0.000 -0.205 0.000) 0.205 3.377 ( 0.000 2.562 0.000) 2.562 3.385 ( 0.000 -3.633 0.000) 3.633 3.469 ( 0.000 0.566 0.000) 0.566 3.507 ( 0.000 -10.254 0.000) 10.254 3.516 ( 0.000 0.199 0.000) 0.199 3.675 ( 0.000 -2.128 0.000) 2.128 3.745 ( 0.000 -7.127 0.000) 7.127 3.751 ( 0.000 -0.176 0.000) 0.176 3.882 ( 0.000 -1.182 0.000) 1.182 3.991 ( 0.000 -5.145 0.000) 5.145 4.015 ( 0.000 4.724 0.000) 4.724 4.110 ( 0.000 6.514 0.000) 6.514 4.202 ( 0.000 6.553 0.000) 6.553 4.294 ( 0.000 -3.479 0.000) 3.479 4.358 ( 0.000 0.725 0.000) 0.725 4.388 ( 0.000 3.876 0.000) 3.876 4.511 ( 0.000 4.743 0.000) 4.743 4.544 ( 0.000 -2.020 0.000) 2.020 4.629 ( 0.000 2.325 0.000) 2.325 4.710 ( 0.000 -3.437 0.000) 3.437 4.752 ( 0.000 -2.269 0.000) 2.269 4.872 ( 0.000 -0.357 0.000) 0.357 4.916 ( 0.000 2.581 0.000) 2.581 4.932 ( 0.000 -6.652 0.000) 6.652 5.055 ( 0.000 -2.361 0.000) 2.361 5.194 ( 0.000 11.950 0.000) 11.950 5.220 ( 0.000 -2.851 0.000) 2.851 5.602 ( 0.000 4.400 0.000) 4.400 5.832 ( 0.000 -1.485 0.000) 1.485 5.970 ( 0.000 -7.933 0.000) 7.933 8.305 ( 0.000 3.587 0.000) 3.587 8.551 ( 0.000 -2.766 0.000) 2.766 8.606 ( 0.000 0.280 0.000) 0.280 8.680 ( 0.000 -2.393 0.000) 2.393 9.037 ( 0.000 7.505 0.000) 7.505 9.419 ( 0.000 -0.241 0.000) 0.241 9.836 ( 0.000 0.519 0.000) 0.519 10.476 ( 0.000 -16.877 0.000) 16.877 11.012 ( 0.000 8.999 0.000) 8.999 11.312 ( 0.000 0.884 0.000) 0.884 11.793 ( 0.000 12.473 0.000) 12.473 12.297 ( 0.000 -5.124 0.000) 5.124 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -0.759 22.974 0.755) 22.999 1.005 ( 8.488 20.794 2.460) 22.594 1.616 ( 3.252 17.315 -0.653) 17.630 1.750 ( 1.850 5.544 -0.244) 5.849 1.914 ( -0.764 9.535 -0.710) 9.592 2.028 ( -0.177 3.211 -0.879) 3.334 2.219 ( -3.134 -4.905 -1.403) 5.988 2.254 ( -5.560 -6.818 4.245) 9.768 2.416 ( 0.780 -3.644 1.592) 4.053 2.479 ( 2.300 -0.292 -2.325) 3.283 2.606 ( 0.455 1.244 1.242) 1.816 2.693 ( 6.548 1.116 -0.305) 6.649 2.736 ( 0.513 -5.861 1.177) 6.000 2.824 ( 2.135 -2.506 0.649) 3.356 2.958 ( 3.323 -0.713 -1.177) 3.597 3.062 ( -1.190 -3.492 0.784) 3.771 3.192 ( -2.374 -1.523 -0.767) 2.923 3.265 ( -1.905 1.249 -0.305) 2.299 3.315 ( -3.000 -1.833 -3.046) 4.652 3.416 ( 1.312 -0.489 -1.370) 1.959 3.453 ( -5.343 1.476 5.246) 7.632 3.486 ( 1.033 2.290 -2.232) 3.361 3.574 ( 3.873 -9.671 3.625) 11.031 3.671 ( -0.405 -2.593 -3.372) 4.273 3.682 ( -3.743 0.498 -3.411) 5.089 3.787 ( 0.069 -3.870 4.449) 5.897 3.883 ( 0.578 -2.137 -2.358) 3.234 3.899 ( -5.793 0.826 -1.491) 6.039 4.022 ( -0.984 -0.790 -0.567) 1.383 4.070 ( -3.732 2.028 0.862) 4.334 4.140 ( -3.926 2.324 -1.471) 4.794 4.290 ( -1.443 0.767 0.522) 1.715 4.384 ( 3.230 -1.573 1.907) 4.067 4.445 ( 3.644 2.816 -0.287) 4.614 4.519 ( -0.079 0.583 -1.330) 1.454 4.553 ( 2.639 2.283 0.945) 3.615 4.627 ( -0.938 -1.474 3.824) 4.204 4.687 ( -2.116 -1.640 1.571) 3.104 4.780 ( -0.167 -4.667 1.023) 4.781 4.870 ( -0.031 1.441 1.705) 2.233 4.936 ( 2.079 -3.066 -2.861) 4.680 4.989 ( 5.972 -0.012 -3.421) 6.883 5.075 ( 1.630 -2.887 0.879) 3.430 5.153 ( -2.018 5.192 -2.330) 6.038 5.287 ( 4.920 5.031 1.755) 7.252 5.596 ( -0.719 4.123 -0.125) 4.187 5.795 ( -2.716 -0.156 -2.593) 3.758 5.977 ( 0.265 -7.660 1.229) 7.762 8.310 ( 0.382 3.616 0.615) 3.688 8.558 ( 0.443 -2.820 -1.313) 3.142 8.597 ( -0.829 0.905 0.440) 1.303 8.667 ( -1.071 -1.086 -0.431) 1.585 8.942 ( -6.653 10.614 -3.843) 13.103 9.388 ( -2.572 -0.771 -1.319) 2.992 9.829 ( -0.810 5.643 4.759) 7.427 10.567 ( 7.093 -22.822 1.259) 23.932 10.990 ( -1.991 6.432 -0.315) 6.740 11.294 ( -1.831 0.528 0.876) 2.098 11.782 ( -0.885 14.067 2.219) 14.268 12.356 ( 5.126 -5.631 -2.721) 8.086 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 6.670 16.492 2.175) 17.923 1.228 ( 13.106 15.374 2.027) 20.304 1.489 ( -11.638 5.725 -2.649) 13.238 1.765 ( -3.065 3.588 0.094) 4.720 1.839 ( -7.441 9.677 -1.423) 12.290 2.082 ( -0.141 -6.673 1.620) 6.868 2.210 ( 12.261 13.083 1.546) 17.997 2.339 ( 6.995 -1.211 0.179) 7.101 2.402 ( -2.718 -6.432 -1.088) 7.066 2.478 ( -1.195 -2.386 -1.286) 2.963 2.629 ( 1.548 1.836 2.157) 3.228 2.688 ( -2.597 0.029 4.073) 4.831 2.840 ( 4.936 -2.463 0.023) 5.517 2.909 ( 6.045 0.239 -0.533) 6.073 2.997 ( -2.900 -2.172 -0.552) 3.665 3.039 ( 3.326 0.372 -1.657) 3.734 3.141 ( -1.389 -2.081 -2.382) 3.455 3.238 ( -2.177 -0.437 0.056) 2.221 3.291 ( -1.122 -0.637 1.750) 2.175 3.349 ( -2.620 0.515 -1.023) 2.860 3.420 ( -0.583 1.692 -3.868) 4.262 3.489 ( -4.442 6.509 4.366) 9.009 3.542 ( -3.530 -0.267 -2.574) 4.377 3.626 ( -4.139 1.166 -0.660) 4.351 3.673 ( 2.644 -5.934 1.346) 6.634 3.765 ( -3.602 0.450 3.412) 4.981 3.826 ( -0.526 -0.020 -1.575) 1.660 3.882 ( -0.126 -2.364 -4.174) 4.799 3.993 ( -0.986 -6.255 0.474) 6.350 4.038 ( -0.456 -4.992 0.153) 5.015 4.086 ( 0.431 -1.440 -2.759) 3.142 4.250 ( -3.820 -2.357 2.663) 5.219 4.416 ( -1.616 -2.294 1.255) 3.074 4.488 ( 3.382 1.756 -0.472) 3.840 4.570 ( 4.350 3.095 -1.930) 5.677 4.601 ( 1.488 0.080 0.914) 1.748 4.642 ( 1.546 -5.450 3.997) 6.933 4.658 ( -1.705 0.794 2.498) 3.126 4.753 ( -2.157 -5.994 0.147) 6.372 4.874 ( -0.077 3.095 1.164) 3.308 4.948 ( 0.293 -2.953 -2.364) 3.795 5.066 ( 1.779 2.660 -0.393) 3.224 5.106 ( -0.549 5.382 -1.614) 5.645 5.120 ( 1.541 -1.798 -2.035) 3.122 5.397 ( 5.420 4.719 1.887) 7.430 5.571 ( -1.881 4.388 -0.725) 4.829 5.749 ( -0.817 0.227 -2.092) 2.257 5.982 ( -0.092 -6.809 1.067) 6.892 8.321 ( 0.451 3.601 0.813) 3.719 8.530 ( -2.074 1.459 -2.231) 3.378 8.600 ( 0.477 0.475 1.163) 1.344 8.653 ( -0.002 0.443 -0.790) 0.906 8.841 ( -2.840 9.319 -1.895) 9.925 9.334 ( -2.345 -1.996 -1.045) 3.252 9.838 ( 0.012 9.563 3.823) 10.299 10.688 ( 4.795 -27.731 0.593) 28.148 10.948 ( -2.097 3.578 -0.203) 4.152 11.260 ( -1.675 -0.075 0.494) 1.748 11.782 ( 0.028 16.222 1.506) 16.291 12.428 ( 2.925 -4.977 -1.928) 6.086 ======================= Grid point 17 (12/88) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.000 6.669 0.000) 6.669 1.289 ( 0.000 11.488 0.000) 11.488 1.446 ( -0.000 10.161 0.000) 10.161 1.625 ( 0.000 9.988 -0.000) 9.988 1.787 ( 0.000 7.256 0.000) 7.256 2.096 ( 0.000 -7.912 -0.000) 7.912 2.358 ( 0.000 -6.397 -0.000) 6.397 2.385 ( 0.000 -1.758 0.000) 1.758 2.416 ( -0.000 -7.580 0.000) 7.580 2.446 ( -0.000 10.457 0.000) 10.457 2.661 ( -0.000 4.567 0.000) 4.567 2.671 ( 0.000 5.714 -0.000) 5.714 2.887 ( 0.000 -2.742 -0.000) 2.742 2.933 ( 0.000 1.289 0.000) 1.289 2.998 ( -0.000 1.621 0.000) 1.621 3.056 ( 0.000 0.890 -0.000) 0.890 3.180 ( 0.000 -6.767 -0.000) 6.767 3.202 ( -0.000 0.583 0.000) 0.583 3.219 ( -0.000 0.169 -0.000) 0.169 3.350 ( 0.000 7.320 -0.000) 7.320 3.399 ( 0.000 -0.648 0.000) 0.648 3.424 ( -0.000 1.678 0.000) 1.678 3.541 ( -0.000 -1.382 0.000) 1.382 3.556 ( 0.000 3.966 0.000) 3.966 3.701 ( 0.000 1.907 0.000) 1.907 3.723 ( 0.000 -0.736 0.000) 0.736 3.836 ( 0.000 -2.480 -0.000) 2.480 3.863 ( -0.000 -5.566 0.000) 5.566 3.993 ( 0.000 -4.971 -0.000) 4.971 4.019 ( -0.000 -3.247 0.000) 3.247 4.142 ( 0.000 -6.623 -0.000) 6.623 4.175 ( -0.000 -5.967 0.000) 5.967 4.396 ( 0.000 -0.747 -0.000) 0.747 4.534 ( 0.000 0.655 0.000) 0.655 4.604 ( 0.000 5.769 0.000) 5.769 4.627 ( -0.000 2.339 0.000) 2.339 4.627 ( 0.000 -3.218 -0.000) 3.218 4.700 ( 0.000 -7.562 0.000) 7.562 4.709 ( -0.000 -8.129 -0.000) 8.129 4.875 ( 0.000 4.302 -0.000) 4.302 4.944 ( 0.000 -1.453 0.000) 1.453 5.082 ( -0.000 2.998 -0.000) 2.998 5.083 ( 0.000 7.756 0.000) 7.756 5.142 ( 0.000 -1.639 0.000) 1.639 5.467 ( 0.000 3.127 0.000) 3.127 5.537 ( -0.000 5.563 -0.000) 5.563 5.743 ( 0.000 -0.276 0.000) 0.276 5.982 ( 0.000 -6.329 -0.000) 6.329 8.328 ( 0.000 3.527 -0.000) 3.527 8.503 ( 0.000 3.644 0.000) 3.644 8.606 ( -0.000 0.888 -0.000) 0.888 8.655 ( 0.000 0.322 0.000) 0.322 8.814 ( 0.000 7.616 0.000) 7.616 9.308 ( 0.000 -2.649 0.000) 2.649 9.845 ( 0.000 10.614 -0.000) 10.614 10.737 ( 0.000 -30.476 0.000) 30.476 10.924 ( 0.000 4.087 0.000) 4.087 11.244 ( 0.000 -0.329 0.000) 0.329 11.785 ( 0.000 17.058 0.000) 17.058 12.452 ( 0.000 -4.402 0.000) 4.402 ======================= Grid point 21 (13/88) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 20.368 0.000) 20.368 1.373 ( 0.000 18.976 0.000) 18.976 1.640 ( 0.000 -11.559 0.000) 11.559 1.706 ( 0.000 -13.411 0.000) 13.411 2.055 ( 0.000 1.703 0.000) 1.703 2.092 ( 0.000 4.961 0.000) 4.961 2.205 ( 0.000 0.565 0.000) 0.565 2.341 ( 0.000 -6.966 0.000) 6.966 2.387 ( 0.000 22.132 0.000) 22.132 2.472 ( 0.000 0.683 0.000) 0.683 2.490 ( 0.000 -2.407 0.000) 2.407 2.706 ( 0.000 -3.010 0.000) 3.010 2.729 ( 0.000 4.075 0.000) 4.075 2.789 ( 0.000 -3.469 0.000) 3.469 2.965 ( 0.000 5.210 0.000) 5.210 3.028 ( 0.000 2.136 0.000) 2.136 3.116 ( 0.000 -16.420 0.000) 16.420 3.149 ( 0.000 -5.218 0.000) 5.218 3.301 ( 0.000 1.921 0.000) 1.921 3.404 ( 0.000 -6.377 0.000) 6.377 3.422 ( 0.000 1.274 0.000) 1.274 3.433 ( 0.000 -1.215 0.000) 1.215 3.536 ( 0.000 1.952 0.000) 1.952 3.598 ( 0.000 -4.858 0.000) 4.858 3.680 ( 0.000 1.497 0.000) 1.497 3.726 ( 0.000 -2.412 0.000) 2.412 3.866 ( 0.000 0.702 0.000) 0.702 3.909 ( 0.000 -3.426 0.000) 3.426 4.107 ( 0.000 4.763 0.000) 4.763 4.204 ( 0.000 -5.106 0.000) 5.106 4.250 ( 0.000 6.124 0.000) 6.124 4.317 ( 0.000 0.696 0.000) 0.696 4.393 ( 0.000 5.689 0.000) 5.689 4.494 ( 0.000 4.045 0.000) 4.045 4.503 ( 0.000 -0.319 0.000) 0.319 4.597 ( 0.000 3.718 0.000) 3.718 4.646 ( 0.000 -0.900 0.000) 0.900 4.660 ( 0.000 -4.387 0.000) 4.387 4.660 ( 0.000 -1.644 0.000) 1.644 4.745 ( 0.000 -8.248 0.000) 8.248 4.929 ( 0.000 2.566 0.000) 2.566 4.982 ( 0.000 -1.501 0.000) 1.501 5.024 ( 0.000 4.254 0.000) 4.254 5.134 ( 0.000 -5.601 0.000) 5.601 5.464 ( 0.000 14.439 0.000) 14.439 5.662 ( 0.000 -1.243 0.000) 1.243 5.794 ( 0.000 -2.367 0.000) 2.367 5.797 ( 0.000 -7.109 0.000) 7.109 8.388 ( 0.000 4.746 0.000) 4.746 8.479 ( 0.000 -4.450 0.000) 4.450 8.616 ( 0.000 0.852 0.000) 0.852 8.641 ( 0.000 -1.684 0.000) 1.684 9.194 ( 0.000 8.472 0.000) 8.472 9.347 ( 0.000 -6.683 0.000) 6.683 9.934 ( 0.000 9.383 0.000) 9.383 10.170 ( 0.000 -14.437 0.000) 14.437 11.185 ( 0.000 7.952 0.000) 7.952 11.294 ( 0.000 -3.149 0.000) 3.149 12.005 ( 0.000 9.705 0.000) 9.705 12.173 ( 0.000 -7.645 0.000) 7.645 ======================= Grid point 22 (14/88) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.156 19.493 -1.086) 19.523 1.400 ( 4.305 19.109 1.747) 19.666 1.654 ( 0.757 -10.160 -0.192) 10.190 1.718 ( 0.410 -10.444 -0.436) 10.461 1.931 ( -6.662 -0.233 -1.239) 6.781 2.022 ( -7.970 -6.239 1.598) 10.247 2.250 ( 3.063 6.654 2.047) 7.606 2.360 ( -1.179 -2.882 0.454) 3.146 2.423 ( 2.932 15.745 3.675) 16.432 2.488 ( 3.158 5.730 -1.974) 6.834 2.569 ( 5.658 -6.660 -1.461) 8.860 2.673 ( -2.070 -2.704 1.962) 3.930 2.786 ( 6.588 5.751 -0.367) 8.753 2.807 ( 0.642 2.865 -3.229) 4.365 2.944 ( 0.163 -2.034 -0.100) 2.043 2.997 ( -1.907 -3.201 2.278) 4.367 3.157 ( 0.561 -2.287 -0.211) 2.365 3.184 ( 4.737 -9.413 -2.689) 10.876 3.295 ( -0.127 3.134 0.180) 3.142 3.408 ( -1.553 -2.651 2.203) 3.780 3.409 ( -0.377 -3.576 -1.281) 3.817 3.437 ( 0.386 -3.025 1.972) 3.632 3.540 ( 1.376 4.116 -1.681) 4.654 3.621 ( 1.653 -3.539 -4.080) 5.648 3.664 ( -0.701 0.398 -3.173) 3.273 3.707 ( -1.483 -3.223 1.068) 3.705 3.853 ( -1.234 -0.196 1.491) 1.945 3.875 ( -3.215 -2.004 1.334) 4.017 4.078 ( -2.875 4.299 -1.222) 5.314 4.142 ( -6.649 -0.477 1.273) 6.786 4.188 ( -5.601 5.326 -1.083) 7.805 4.284 ( -4.697 -2.884 1.584) 5.735 4.391 ( 0.662 4.270 0.725) 4.382 4.493 ( -0.062 -2.800 -0.757) 2.902 4.513 ( 0.691 2.335 1.021) 2.640 4.567 ( -3.314 -2.705 3.274) 5.388 4.614 ( 0.372 2.342 -1.211) 2.662 4.676 ( 0.694 -4.419 -0.287) 4.483 4.699 ( 2.547 2.881 1.160) 4.017 4.800 ( 3.885 -6.227 -1.612) 7.514 4.938 ( 0.826 2.981 0.088) 3.095 5.005 ( 1.625 -3.685 0.127) 4.029 5.061 ( 4.402 4.961 -1.650) 6.835 5.150 ( 1.894 -3.591 -2.060) 4.553 5.489 ( 1.918 12.618 2.093) 12.933 5.651 ( -1.250 -0.587 0.617) 1.513 5.779 ( -1.086 -1.274 -1.349) 2.150 5.811 ( 1.261 -7.423 0.274) 7.535 8.394 ( 0.592 4.833 0.062) 4.870 8.486 ( 0.696 -4.441 -0.578) 4.532 8.614 ( -0.138 1.051 0.211) 1.080 8.639 ( -0.076 -1.523 -0.041) 1.525 9.143 ( -4.370 10.018 -1.454) 11.026 9.314 ( -3.139 -6.954 -0.508) 7.646 9.957 ( 1.584 9.104 3.209) 9.783 10.197 ( 2.191 -15.687 1.232) 15.887 11.148 ( -3.243 8.187 -0.476) 8.818 11.267 ( -2.573 -3.738 0.269) 4.546 12.025 ( 1.944 11.119 0.097) 11.288 12.216 ( 4.048 -8.645 -1.483) 9.661 ======================= Grid point 23 (15/88) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.929 19.140 -0.044) 19.163 1.519 ( 6.321 12.663 2.127) 14.312 1.616 ( -5.840 5.044 -0.262) 7.721 1.689 ( -0.804 -11.152 -2.005) 11.360 1.873 ( -2.221 -3.112 -3.461) 5.157 1.917 ( -0.403 -9.177 1.754) 9.351 2.256 ( -3.728 0.040 3.317) 4.990 2.307 ( -3.560 -2.838 0.760) 4.616 2.471 ( 2.045 7.133 2.790) 7.928 2.547 ( 0.496 3.332 0.207) 3.375 2.648 ( 6.416 2.425 1.148) 6.954 2.731 ( 5.080 -0.775 0.022) 5.139 2.775 ( -1.334 1.248 -1.939) 2.664 2.898 ( -2.386 -6.796 -2.332) 7.570 2.984 ( 10.871 6.763 2.150) 12.982 3.054 ( 4.739 -0.096 1.426) 4.950 3.150 ( -0.689 3.163 -3.082) 4.470 3.234 ( 1.364 -1.241 -2.034) 2.745 3.312 ( 2.183 0.065 -1.979) 2.947 3.346 ( -4.937 1.745 1.534) 5.457 3.399 ( -0.481 -4.939 -0.582) 4.996 3.461 ( 0.606 -6.600 3.437) 7.465 3.574 ( 2.312 2.510 -2.826) 4.431 3.624 ( -0.142 1.170 -3.262) 3.469 3.632 ( -0.907 -0.191 -0.951) 1.328 3.691 ( -1.424 -3.281 -0.358) 3.595 3.818 ( -2.566 -0.139 0.829) 2.700 3.855 ( 1.410 -4.026 0.467) 4.291 3.967 ( -8.062 4.195 0.367) 9.095 4.020 ( -5.048 1.838 1.860) 5.685 4.084 ( -4.285 0.875 -2.006) 4.812 4.169 ( -7.206 -5.693 2.808) 9.603 4.405 ( 0.243 2.162 0.719) 2.291 4.490 ( -0.107 -4.967 -0.087) 4.969 4.526 ( 1.095 -0.362 1.563) 1.942 4.561 ( 0.703 -2.773 1.227) 3.112 4.627 ( 0.980 1.191 -1.301) 2.018 4.666 ( -1.238 -2.553 -1.010) 3.011 4.743 ( 1.647 6.366 0.780) 6.621 4.858 ( 2.422 -5.036 -0.408) 5.603 4.952 ( 0.502 3.735 0.058) 3.769 5.030 ( 0.848 -4.088 0.687) 4.231 5.148 ( 4.397 3.310 -2.121) 5.899 5.183 ( 1.883 0.571 -1.884) 2.724 5.530 ( 1.360 7.876 1.979) 8.234 5.622 ( -1.900 -0.204 0.541) 1.986 5.760 ( -0.082 1.305 -1.357) 1.884 5.837 ( 1.206 -7.051 0.425) 7.166 8.407 ( 0.585 4.908 0.113) 4.944 8.494 ( 0.283 -3.754 -0.673) 3.824 8.616 ( 0.282 1.027 0.436) 1.151 8.640 ( 0.183 -1.285 -0.267) 1.325 9.058 ( -3.558 11.551 -0.954) 12.124 9.248 ( -3.095 -7.355 -0.417) 7.990 9.998 ( 1.275 8.774 2.999) 9.359 10.241 ( 1.729 -17.515 0.975) 17.628 11.087 ( -2.566 8.389 -0.483) 8.786 11.218 ( -2.207 -4.594 0.050) 5.097 12.065 ( 1.856 12.973 -0.039) 13.105 12.283 ( 3.003 -9.590 -1.183) 10.119 ======================= Grid point 24 (16/88) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 16.615 0.000) 16.615 1.524 ( 0.000 11.148 0.000) 11.148 1.617 ( -0.000 4.525 0.000) 4.525 1.668 ( 0.000 -11.062 0.000) 11.062 1.837 ( 0.000 4.764 0.000) 4.764 1.936 ( 0.000 -7.226 -0.000) 7.226 2.224 ( 0.000 -5.417 -0.000) 5.417 2.247 ( -0.000 -7.428 0.000) 7.428 2.509 ( 0.000 9.961 0.000) 9.961 2.549 ( 0.000 3.444 -0.000) 3.444 2.731 ( 0.000 2.365 0.000) 2.365 2.753 ( 0.000 0.463 -0.000) 0.463 2.793 ( 0.000 -3.592 0.000) 3.592 2.865 ( 0.000 -6.913 -0.000) 6.913 3.089 ( 0.000 1.305 -0.000) 1.305 3.109 ( 0.000 -1.423 0.000) 1.423 3.178 ( -0.000 9.727 -0.000) 9.727 3.240 ( -0.000 1.487 -0.000) 1.487 3.281 ( 0.000 9.815 0.000) 9.815 3.340 ( 0.000 -1.240 0.000) 1.240 3.393 ( 0.000 -5.071 -0.000) 5.071 3.450 ( 0.000 -2.862 -0.000) 2.862 3.599 ( -0.000 -2.853 0.000) 2.853 3.612 ( 0.000 5.561 -0.000) 5.561 3.629 ( -0.000 2.848 0.000) 2.848 3.656 ( 0.000 -5.778 -0.000) 5.778 3.799 ( 0.000 0.784 0.000) 0.784 3.868 ( 0.000 -3.699 -0.000) 3.699 3.926 ( 0.000 -3.738 -0.000) 3.738 3.934 ( -0.000 -0.557 0.000) 0.557 4.041 ( 0.000 -1.030 0.000) 1.030 4.090 ( -0.000 -3.146 0.000) 3.146 4.407 ( 0.000 2.439 -0.000) 2.439 4.489 ( 0.000 -5.097 0.000) 5.097 4.554 ( 0.000 -2.872 0.000) 2.872 4.565 ( -0.000 -3.943 -0.000) 3.943 4.635 ( -0.000 0.541 0.000) 0.541 4.646 ( 0.000 -0.182 -0.000) 0.182 4.761 ( 0.000 7.408 0.000) 7.408 4.882 ( 0.000 -4.868 0.000) 4.868 4.957 ( 0.000 4.225 -0.000) 4.225 5.040 ( 0.000 -4.276 -0.000) 4.276 5.191 ( 0.000 2.982 -0.000) 2.982 5.196 ( 0.000 2.996 0.000) 2.996 5.548 ( 0.000 4.470 0.000) 4.470 5.598 ( -0.000 0.261 -0.000) 0.261 5.761 ( 0.000 2.534 0.000) 2.534 5.850 ( 0.000 -6.531 -0.000) 6.531 8.413 ( 0.000 4.878 -0.000) 4.878 8.495 ( 0.000 -3.042 -0.000) 3.042 8.621 ( 0.000 0.819 0.000) 0.819 8.642 ( 0.000 -1.252 0.000) 1.252 9.021 ( 0.000 11.785 0.000) 11.785 9.215 ( 0.000 -7.498 0.000) 7.498 10.015 ( 0.000 8.678 0.000) 8.678 10.259 ( 0.000 -18.215 0.000) 18.215 11.060 ( 0.000 8.400 -0.000) 8.400 11.196 ( 0.000 -4.911 0.000) 4.911 12.084 ( 0.000 13.630 0.000) 13.630 12.310 ( 0.000 -9.770 0.000) 9.770 ======================= Grid point 49 (17/88) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -9.149 0.000 19.719) 21.738 0.469 ( -4.858 0.000 23.034) 23.541 0.874 ( -5.164 0.000 43.593) 43.898 1.429 ( -0.632 0.000 -0.082) 0.637 1.726 ( 3.489 0.000 -3.771) 5.138 2.215 ( 7.532 0.000 1.105) 7.613 2.339 ( -9.917 0.000 3.596) 10.549 2.392 ( -0.515 0.000 -1.612) 1.692 2.510 ( 0.845 0.000 -1.267) 1.523 2.521 ( 8.502 0.000 1.510) 8.635 2.677 ( 3.113 0.000 -1.600) 3.500 2.744 ( -8.447 0.000 0.593) 8.467 2.825 ( -1.834 0.000 -0.048) 1.834 3.010 ( -0.392 0.000 -0.900) 0.982 3.027 ( 5.677 0.000 -6.883) 8.922 3.071 ( 0.485 0.000 -4.104) 4.133 3.171 ( 3.630 0.000 4.386) 5.694 3.291 ( 1.369 0.000 -9.747) 9.843 3.327 ( 6.169 0.000 -0.053) 6.169 3.363 ( -1.059 0.000 4.479) 4.603 3.451 ( -1.338 0.000 -1.049) 1.700 3.492 ( -0.873 0.000 -3.187) 3.304 3.549 ( -0.145 0.000 1.142) 1.152 3.733 ( 2.366 0.000 0.313) 2.386 3.779 ( -5.025 0.000 5.416) 7.388 3.784 ( 3.148 0.000 0.726) 3.231 3.949 ( -6.934 0.000 2.265) 7.295 4.006 ( -2.227 0.000 0.538) 2.291 4.060 ( -1.130 0.000 -1.356) 1.765 4.113 ( -0.783 0.000 0.637) 1.010 4.160 ( 2.714 0.000 -7.286) 7.775 4.261 ( 9.024 0.000 0.101) 9.025 4.264 ( 1.761 0.000 -2.683) 3.210 4.290 ( -4.661 0.000 1.938) 5.048 4.423 ( 3.945 0.000 3.357) 5.180 4.464 ( 2.464 0.000 3.847) 4.568 4.568 ( -2.246 0.000 -2.391) 3.281 4.599 ( -0.368 0.000 1.171) 1.227 4.785 ( 2.871 0.000 -2.543) 3.835 4.884 ( -4.356 0.000 -0.896) 4.447 4.930 ( 5.943 0.000 -1.448) 6.117 4.967 ( -0.729 0.000 -2.652) 2.750 5.147 ( -0.373 0.000 1.267) 1.321 5.279 ( 0.318 0.000 3.397) 3.412 5.424 ( 0.547 0.000 1.354) 1.460 5.497 ( -0.955 0.000 -1.016) 1.394 5.661 ( -15.650 0.000 -0.589) 15.661 6.064 ( 0.850 0.000 -4.897) 4.970 8.206 ( -0.365 0.000 1.797) 1.833 8.579 ( -0.879 0.000 -2.252) 2.418 8.599 ( 0.027 0.000 0.167) 0.169 8.718 ( -1.171 0.000 -2.658) 2.905 9.273 ( 1.420 0.000 -4.867) 5.070 9.322 ( -66.847 0.000 0.669) 66.850 9.568 ( -1.390 0.000 7.481) 7.609 10.278 ( 63.532 0.000 -6.863) 63.902 11.077 ( -0.547 0.000 4.467) 4.501 11.267 ( 2.099 0.000 10.297) 10.509 11.706 ( 2.784 0.000 -3.366) 4.368 12.349 ( 0.138 0.000 -4.094) 4.096 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 14.063 0.000 11.239) 18.003 0.629 ( 12.813 0.000 15.818) 20.356 1.075 ( 11.740 0.000 30.135) 32.341 1.424 ( 0.912 0.000 1.976) 2.177 1.811 ( 4.790 0.000 -0.946) 4.883 2.055 ( -15.497 0.000 7.751) 17.327 2.323 ( -7.663 0.000 0.534) 7.682 2.348 ( 2.688 0.000 -3.500) 4.413 2.526 ( -6.265 0.000 2.227) 6.649 2.606 ( 7.203 0.000 1.254) 7.312 2.672 ( 5.266 0.000 1.099) 5.380 2.741 ( 0.005 0.000 -3.744) 3.744 2.857 ( 2.117 0.000 0.084) 2.119 2.970 ( -6.471 0.000 -0.032) 6.471 2.982 ( 0.128 0.000 -1.631) 1.636 3.061 ( -0.183 0.000 -5.011) 5.015 3.208 ( -2.410 0.000 5.113) 5.652 3.266 ( -0.076 0.000 -13.887) 13.888 3.308 ( -2.941 0.000 0.803) 3.049 3.314 ( -0.355 0.000 -0.558) 0.661 3.392 ( -5.482 0.000 1.241) 5.621 3.455 ( 0.211 0.000 2.692) 2.701 3.637 ( 2.224 0.000 -5.159) 5.618 3.694 ( -3.684 0.000 4.945) 6.166 3.723 ( -5.551 0.000 1.707) 5.808 3.788 ( 0.351 0.000 3.374) 3.393 3.913 ( -6.250 0.000 5.893) 8.590 4.011 ( -0.133 0.000 -5.003) 5.005 4.045 ( 0.045 0.000 -2.260) 2.261 4.055 ( 3.466 0.000 -0.683) 3.533 4.203 ( 4.433 0.000 -5.636) 7.171 4.288 ( 0.747 0.000 -2.100) 2.228 4.298 ( 3.693 0.000 -0.424) 3.717 4.474 ( -1.355 0.000 1.256) 1.848 4.539 ( 6.597 0.000 3.253) 7.355 4.540 ( -0.393 0.000 -0.313) 0.502 4.630 ( 3.483 0.000 -1.017) 3.629 4.643 ( 19.697 0.000 -12.508) 23.333 4.783 ( -4.974 0.000 -1.304) 5.142 4.841 ( 3.290 0.000 -1.412) 3.581 4.927 ( -2.623 0.000 -2.159) 3.397 4.997 ( 1.004 0.000 0.995) 1.413 5.117 ( -6.706 0.000 4.959) 8.341 5.183 ( -5.356 0.000 7.343) 9.088 5.414 ( -2.101 0.000 2.394) 3.185 5.495 ( 1.212 0.000 -2.280) 2.583 5.511 ( 1.659 0.000 -1.973) 2.578 6.063 ( 0.701 0.000 -4.917) 4.967 8.204 ( -0.430 0.000 1.828) 1.878 8.473 ( -12.111 0.000 10.423) 15.978 8.593 ( -0.592 0.000 0.131) 0.606 8.611 ( -1.879 0.000 2.280) 2.954 8.791 ( -3.738 0.000 6.021) 7.087 9.282 ( 0.878 0.000 -3.396) 3.508 9.564 ( -1.306 0.000 6.203) 6.339 10.925 ( 16.880 0.000 -19.488) 25.782 11.092 ( 0.424 0.000 4.585) 4.604 11.331 ( -0.423 0.000 8.890) 8.900 11.715 ( 0.265 0.000 -8.467) 8.471 12.339 ( 0.332 0.000 -4.399) 4.412 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 14.908 0.000 7.205) 16.558 0.965 ( 17.362 0.000 8.684) 19.413 1.318 ( 5.086 0.000 -3.126) 5.969 1.513 ( 1.711 0.000 15.253) 15.348 1.777 ( -11.740 0.000 4.732) 12.658 1.860 ( -3.146 0.000 15.665) 15.977 2.223 ( 1.413 0.000 -1.621) 2.150 2.382 ( 2.884 0.000 -3.855) 4.815 2.477 ( -2.289 0.000 -4.193) 4.777 2.638 ( -5.089 0.000 -0.517) 5.115 2.655 ( -6.012 0.000 3.956) 7.197 2.778 ( 2.728 0.000 0.472) 2.769 2.855 ( -4.062 0.000 -0.289) 4.073 2.858 ( 0.169 0.000 -0.087) 0.190 3.023 ( -2.612 0.000 -4.292) 5.024 3.054 ( 5.479 0.000 0.731) 5.528 3.176 ( -1.530 0.000 3.567) 3.881 3.212 ( -0.379 0.000 -13.410) 13.415 3.276 ( -1.596 0.000 0.906) 1.836 3.283 ( -1.168 0.000 -1.893) 2.224 3.384 ( 3.660 0.000 0.917) 3.774 3.453 ( -1.544 0.000 5.189) 5.414 3.574 ( -6.156 0.000 -2.488) 6.640 3.673 ( -0.191 0.000 0.352) 0.400 3.684 ( 0.517 0.000 2.188) 2.248 3.744 ( -10.507 0.000 7.709) 13.032 3.799 ( 1.242 0.000 4.787) 4.945 4.045 ( 0.649 0.000 -1.940) 2.045 4.067 ( 4.932 0.000 -2.782) 5.662 4.115 ( 2.579 0.000 -2.941) 3.912 4.228 ( -4.819 0.000 -0.450) 4.840 4.290 ( 3.516 0.000 -2.626) 4.388 4.390 ( 5.645 0.000 1.570) 5.860 4.475 ( 1.320 0.000 -3.710) 3.938 4.550 ( 2.481 0.000 -1.571) 2.937 4.619 ( -7.155 0.000 -1.650) 7.343 4.660 ( 4.003 0.000 2.548) 4.745 4.690 ( 2.601 0.000 -0.943) 2.766 4.835 ( -3.931 0.000 -3.604) 5.333 4.861 ( 3.442 0.000 -6.808) 7.628 4.911 ( 1.725 0.000 1.728) 2.442 4.979 ( -3.189 0.000 10.081) 10.573 5.062 ( 2.001 0.000 -2.477) 3.184 5.152 ( -1.583 0.000 0.955) 1.849 5.379 ( -2.021 0.000 1.975) 2.825 5.515 ( 1.484 0.000 -2.199) 2.653 5.578 ( 5.430 0.000 -6.182) 8.228 6.060 ( 0.692 0.000 -4.977) 5.025 8.203 ( -0.317 0.000 1.947) 1.973 8.389 ( -1.812 0.000 10.794) 10.945 8.581 ( -0.688 0.000 0.136) 0.701 8.618 ( 1.184 0.000 -0.755) 1.404 8.775 ( -0.686 0.000 2.781) 2.865 9.282 ( 0.222 0.000 -3.326) 3.333 9.561 ( -1.106 0.000 5.937) 6.039 11.068 ( 6.174 0.000 -11.144) 12.740 11.114 ( 0.254 0.000 4.278) 4.286 11.303 ( -3.995 0.000 5.089) 6.470 11.680 ( -1.193 0.000 -6.080) 6.196 12.337 ( 0.845 0.000 -4.117) 4.203 ======================= Grid point 52 (20/88) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.965 0.000 -0.310) 1.990 1.243 ( 1.923 0.000 5.637) 5.956 1.341 ( 1.163 0.000 13.972) 14.020 1.445 ( -3.659 0.000 -3.474) 5.045 1.543 ( -5.307 0.000 6.266) 8.211 1.992 ( -3.172 0.000 20.913) 21.152 2.241 ( -4.516 0.000 -4.150) 6.133 2.410 ( 2.133 0.000 -5.619) 6.010 2.451 ( 5.995 0.000 -2.413) 6.462 2.476 ( -6.855 0.000 2.261) 7.219 2.596 ( -0.185 0.000 -1.726) 1.735 2.805 ( 1.454 0.000 -1.460) 2.060 2.805 ( -1.676 0.000 -2.890) 3.341 2.877 ( 0.514 0.000 1.791) 1.863 2.968 ( -0.645 0.000 -3.714) 3.770 3.149 ( 2.909 0.000 2.870) 4.086 3.161 ( -1.514 0.000 6.017) 6.204 3.184 ( 1.440 0.000 -6.984) 7.131 3.250 ( -0.749 0.000 -0.232) 0.784 3.308 ( 4.199 0.000 -4.827) 6.397 3.424 ( -2.848 0.000 4.393) 5.235 3.435 ( -7.828 0.000 -0.300) 7.833 3.496 ( 6.520 0.000 1.713) 6.741 3.622 ( -4.348 0.000 7.462) 8.637 3.699 ( 3.058 0.000 0.329) 3.076 3.712 ( 1.627 0.000 2.301) 2.818 3.878 ( 4.568 0.000 4.537) 6.438 4.057 ( 1.034 0.000 -1.330) 1.685 4.104 ( -6.454 0.000 -1.593) 6.648 4.121 ( -0.823 0.000 -2.731) 2.852 4.151 ( 4.039 0.000 -0.574) 4.080 4.321 ( -0.064 0.000 -1.568) 1.569 4.476 ( 0.286 0.000 -5.601) 5.608 4.480 ( -6.161 0.000 -0.892) 6.226 4.512 ( 6.473 0.000 0.909) 6.536 4.617 ( 4.405 0.000 -3.238) 5.467 4.692 ( -2.214 0.000 0.729) 2.331 4.698 ( -2.871 0.000 0.808) 2.982 4.751 ( -1.783 0.000 -3.649) 4.061 4.816 ( -4.613 0.000 -2.068) 5.055 4.944 ( 1.079 0.000 1.270) 1.666 4.994 ( 1.425 0.000 5.710) 5.885 5.080 ( -1.319 0.000 4.331) 4.527 5.148 ( 2.412 0.000 -6.296) 6.742 5.359 ( -0.505 0.000 1.416) 1.504 5.533 ( 0.930 0.000 -1.707) 1.944 5.656 ( 4.743 0.000 -5.697) 7.413 6.059 ( 0.831 0.000 -5.009) 5.077 8.204 ( -0.321 0.000 2.016) 2.041 8.435 ( 2.750 0.000 11.272) 11.602 8.573 ( -0.067 0.000 0.148) 0.163 8.634 ( 0.582 0.000 -0.958) 1.121 8.775 ( -0.292 0.000 3.401) 3.414 9.273 ( 0.245 0.000 -4.605) 4.612 9.561 ( -1.065 0.000 6.872) 6.954 11.105 ( 0.985 0.000 -12.345) 12.384 11.122 ( -0.877 0.000 3.860) 3.958 11.244 ( -2.718 0.000 2.564) 3.736 11.641 ( -1.163 0.000 -3.240) 3.442 12.344 ( 1.158 0.000 -3.532) 3.717 ======================= Grid point 53 (21/88) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -15.821 0.000 12.317) 20.050 0.997 ( -20.756 0.000 10.126) 23.095 1.333 ( -7.804 0.000 -2.920) 8.332 1.526 ( 1.080 0.000 13.458) 13.501 1.692 ( 8.193 0.000 0.509) 8.208 1.798 ( -8.426 0.000 13.012) 15.502 2.126 ( -0.566 0.000 -5.507) 5.536 2.445 ( 0.020 0.000 1.631) 1.631 2.465 ( 2.122 0.000 -1.599) 2.657 2.604 ( 1.894 0.000 -3.177) 3.699 2.607 ( 6.536 0.000 -0.035) 6.536 2.767 ( -0.192 0.000 -5.475) 5.478 2.800 ( -1.437 0.000 -3.184) 3.494 2.906 ( 2.576 0.000 0.856) 2.715 3.000 ( 4.677 0.000 -3.324) 5.738 3.142 ( -3.860 0.000 4.348) 5.815 3.161 ( -0.531 0.000 6.268) 6.291 3.226 ( 3.353 0.000 -2.125) 3.970 3.249 ( -7.753 0.000 -1.770) 7.952 3.264 ( 2.013 0.000 -0.810) 2.170 3.409 ( 0.544 0.000 2.307) 2.370 3.446 ( 8.043 0.000 -1.548) 8.190 3.565 ( -0.120 0.000 3.365) 3.367 3.646 ( 3.532 0.000 3.046) 4.664 3.754 ( 1.421 0.000 1.127) 1.813 3.768 ( 3.895 0.000 3.918) 5.524 3.917 ( -4.222 0.000 6.469) 7.725 4.046 ( 3.944 0.000 -5.652) 6.893 4.068 ( -3.245 0.000 -3.450) 4.737 4.087 ( 1.825 0.000 -1.295) 2.238 4.207 ( 1.372 0.000 1.719) 2.200 4.292 ( -1.820 0.000 -1.499) 2.358 4.387 ( -3.302 0.000 0.131) 3.305 4.434 ( -2.618 0.000 -5.310) 5.920 4.572 ( -8.906 0.000 -1.508) 9.033 4.633 ( -2.797 0.000 2.015) 3.447 4.648 ( 7.145 0.000 -0.517) 7.163 4.658 ( 0.285 0.000 -2.373) 2.390 4.711 ( -6.610 0.000 -1.345) 6.745 4.743 ( 1.425 0.000 -4.404) 4.629 4.962 ( 0.716 0.000 0.111) 0.724 5.008 ( -1.672 0.000 0.143) 1.678 5.098 ( 2.107 0.000 4.517) 4.985 5.175 ( 1.725 0.000 -2.123) 2.736 5.369 ( 1.042 0.000 0.862) 1.352 5.537 ( -0.106 0.000 -0.927) 0.933 5.725 ( 4.388 0.000 -3.279) 5.478 6.060 ( 0.965 0.000 -4.971) 5.064 8.204 ( -0.291 0.000 2.005) 2.026 8.569 ( 7.452 0.000 11.823) 13.975 8.579 ( 0.589 0.000 0.131) 0.603 8.631 ( -0.580 0.000 -0.380) 0.694 8.801 ( 2.174 0.000 9.961) 10.195 9.265 ( 0.740 0.000 -5.920) 5.966 9.564 ( -1.125 0.000 8.031) 8.109 10.989 ( -7.930 0.000 -25.699) 26.895 11.107 ( -1.820 0.000 3.756) 4.174 11.227 ( -1.000 0.000 4.589) 4.697 11.627 ( 0.448 0.000 -0.018) 0.448 12.354 ( 0.951 0.000 -3.243) 3.379 ======================= Grid point 54 (22/88) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -17.651 0.000 17.784) 25.057 0.654 ( -18.907 0.000 16.602) 25.161 1.037 ( -22.542 0.000 26.073) 34.467 1.451 ( -3.650 0.000 3.896) 5.339 1.722 ( -0.980 0.000 -4.368) 4.477 1.974 ( 14.313 0.000 3.506) 14.736 2.258 ( 12.744 0.000 -4.039) 13.369 2.440 ( -1.409 0.000 2.047) 2.486 2.467 ( -1.746 0.000 3.918) 4.289 2.589 ( -6.442 0.000 0.201) 6.445 2.627 ( 2.046 0.000 -4.571) 5.008 2.779 ( 0.979 0.000 -4.820) 4.918 2.836 ( 8.330 0.000 -2.994) 8.852 2.942 ( -1.012 0.000 -0.619) 1.186 3.039 ( -7.487 0.000 8.458) 11.295 3.086 ( 4.614 0.000 -0.112) 4.616 3.124 ( -4.402 0.000 0.442) 4.424 3.194 ( 2.941 0.000 1.510) 3.306 3.278 ( 2.913 0.000 -7.727) 8.257 3.316 ( 3.551 0.000 1.421) 3.825 3.449 ( 1.945 0.000 2.789) 3.400 3.547 ( -0.427 0.000 0.310) 0.528 3.581 ( 0.759 0.000 1.407) 1.599 3.690 ( 2.761 0.000 -0.566) 2.819 3.739 ( -2.337 0.000 -1.174) 2.616 3.851 ( -4.085 0.000 4.625) 6.171 3.911 ( 9.527 0.000 4.562) 10.563 4.005 ( -1.977 0.000 -2.002) 2.813 4.086 ( -0.707 0.000 1.337) 1.513 4.125 ( 3.859 0.000 -8.391) 9.236 4.195 ( -4.226 0.000 1.405) 4.453 4.260 ( -0.727 0.000 -2.022) 2.148 4.338 ( -4.322 0.000 -1.572) 4.599 4.400 ( -5.499 0.000 -0.008) 5.499 4.405 ( 1.659 0.000 -0.604) 1.766 4.507 ( -13.985 0.000 -2.507) 14.208 4.605 ( -1.533 0.000 3.179) 3.529 4.627 ( -2.038 0.000 -2.829) 3.486 4.758 ( 1.398 0.000 -3.944) 4.185 4.796 ( 8.013 0.000 -1.133) 8.092 4.958 ( -3.033 0.000 -1.732) 3.493 4.973 ( 0.636 0.000 -1.564) 1.688 5.142 ( 0.795 0.000 1.603) 1.789 5.217 ( 3.039 0.000 3.352) 4.525 5.398 ( 1.600 0.000 0.607) 1.711 5.522 ( -1.143 0.000 -0.380) 1.204 5.790 ( 2.155 0.000 -3.489) 4.101 6.063 ( 0.977 0.000 -4.919) 5.015 8.206 ( -0.219 0.000 1.906) 1.919 8.592 ( 0.586 0.000 0.153) 0.605 8.604 ( -1.229 0.000 -1.359) 1.832 8.707 ( 2.884 0.000 -1.420) 3.214 9.133 ( 33.335 0.000 35.447) 48.659 9.264 ( 1.262 0.000 -6.105) 6.234 9.568 ( -1.255 0.000 8.368) 8.461 10.533 ( -34.768 0.000 -43.562) 55.736 11.085 ( -1.659 0.000 4.056) 4.383 11.227 ( -0.601 0.000 7.226) 7.251 11.657 ( 2.128 0.000 1.970) 2.900 12.356 ( 0.445 0.000 -3.522) 3.550 ======================= Grid point 55 (23/88) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 3.654 13.927 13.255) 19.571 0.633 ( -5.411 18.521 13.363) 23.471 1.217 ( -6.615 27.089 31.440) 42.024 1.559 ( -0.749 12.213 -0.139) 12.237 1.766 ( 3.328 3.638 -3.387) 5.982 2.191 ( 0.706 -3.380 2.972) 4.556 2.283 ( -1.328 -1.951 -1.532) 2.814 2.425 ( -2.449 0.545 -1.165) 2.766 2.435 ( 3.527 -7.022 -0.894) 7.909 2.543 ( 5.624 0.016 -0.921) 5.699 2.591 ( -0.746 -6.667 -1.495) 6.873 2.715 ( -4.901 -4.168 1.447) 6.594 2.777 ( -0.071 -3.036 0.026) 3.037 2.911 ( 1.637 -5.429 4.192) 7.052 3.018 ( 3.285 -3.652 -1.705) 5.200 3.078 ( -1.601 -0.145 -2.381) 2.873 3.190 ( 0.456 3.648 -2.166) 4.267 3.272 ( 1.041 -4.718 -6.206) 7.865 3.318 ( 1.878 -0.066 -0.748) 2.023 3.355 ( 1.926 0.028 -0.930) 2.139 3.435 ( -3.811 0.833 -0.374) 3.919 3.565 ( 4.499 0.744 -1.572) 4.824 3.593 ( -5.074 6.337 0.565) 8.137 3.702 ( 1.102 -2.796 -0.704) 3.087 3.726 ( 3.262 -2.857 1.445) 4.570 3.777 ( -3.196 -0.357 3.155) 4.505 3.941 ( -1.154 -1.906 -2.909) 3.664 3.982 ( -5.522 1.697 4.447) 7.290 4.060 ( 0.246 -0.432 -1.075) 1.185 4.124 ( -2.391 3.422 3.025) 5.155 4.173 ( 3.531 -5.087 0.786) 6.242 4.259 ( 0.590 1.542 -4.507) 4.800 4.304 ( -0.394 1.391 -2.915) 3.254 4.373 ( -1.208 5.586 2.370) 6.187 4.415 ( 3.817 2.855 1.866) 5.119 4.517 ( 5.092 1.001 -0.385) 5.204 4.576 ( -0.952 1.419 -0.304) 1.736 4.696 ( 0.897 5.006 -1.359) 5.264 4.781 ( 1.720 -1.825 -2.548) 3.575 4.861 ( 0.111 -0.976 0.340) 1.039 4.926 ( 1.860 2.779 -2.038) 3.916 5.003 ( -0.747 1.196 -3.214) 3.510 5.138 ( -0.163 -1.122 1.277) 1.708 5.215 ( -7.739 -10.909 11.328) 17.528 5.259 ( 1.565 -1.993 2.917) 3.864 5.511 ( 0.261 1.857 -2.071) 2.794 5.743 ( -4.951 2.702 -6.633) 8.707 6.047 ( 1.367 -2.660 -4.125) 5.095 8.199 ( 0.431 0.477 -1.636) 1.758 8.560 ( -0.412 -2.020 -2.891) 3.551 8.602 ( -0.080 0.327 0.125) 0.360 8.701 ( -0.589 -1.532 -2.041) 2.619 9.073 ( -16.651 -4.079 9.945) 19.819 9.314 ( -0.359 2.146 -5.358) 5.783 9.842 ( -9.064 4.770 -2.137) 10.463 10.335 ( 28.261 1.329 -19.711) 34.481 11.021 ( -0.520 0.473 10.327) 10.351 11.402 ( -1.912 5.986 5.911) 8.627 11.671 ( 4.357 2.232 4.265) 6.493 12.346 ( -2.689 -1.350 -3.077) 4.304 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.17 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 6.250 11.788 12.473) 18.264 0.765 ( 12.190 14.044 9.650) 20.951 1.347 ( 7.831 22.538 21.723) 32.267 1.551 ( 0.911 11.851 2.266) 12.100 1.838 ( 2.546 2.873 0.079) 3.839 2.034 ( -10.670 -2.063 5.124) 12.014 2.291 ( -6.179 -2.921 -0.704) 6.871 2.339 ( -2.033 -1.064 -2.359) 3.291 2.494 ( -1.540 -2.503 0.549) 2.990 2.540 ( 3.763 -7.621 -0.308) 8.505 2.637 ( 2.910 -4.393 -1.926) 5.610 2.708 ( 4.850 0.776 1.898) 5.266 2.872 ( 6.480 -4.521 -0.219) 7.904 2.899 ( -2.533 -1.596 1.574) 3.382 2.975 ( -6.961 -0.533 -1.134) 7.073 3.080 ( -0.031 -3.054 -3.043) 4.311 3.167 ( -1.396 0.386 -2.195) 2.630 3.252 ( 0.750 -0.989 -6.544) 6.661 3.317 ( -1.550 -0.020 -1.795) 2.372 3.337 ( -1.137 -1.888 -1.734) 2.805 3.380 ( -1.711 2.994 0.415) 3.473 3.517 ( -3.143 3.931 4.745) 6.917 3.599 ( -3.209 -1.186 -3.540) 4.923 3.685 ( -2.905 -2.365 2.315) 4.404 3.766 ( -0.185 3.511 -0.787) 3.603 3.779 ( 0.459 -0.776 4.787) 4.871 3.890 ( 2.045 -4.992 -2.364) 5.889 3.933 ( -6.190 1.042 5.443) 8.309 4.046 ( 0.036 0.410 -2.189) 2.227 4.059 ( -0.766 0.001 -1.183) 1.410 4.217 ( 1.042 -4.252 2.010) 4.817 4.268 ( -0.663 -0.415 -1.746) 1.913 4.306 ( 4.380 3.264 -2.638) 6.066 4.477 ( 7.218 0.048 1.663) 7.407 4.492 ( -1.705 -1.408 -3.856) 4.445 4.575 ( 5.517 -0.855 2.403) 6.078 4.657 ( 5.281 2.282 0.269) 5.759 4.716 ( 0.219 3.349 -3.317) 4.718 4.798 ( 2.658 2.036 -1.968) 3.884 4.836 ( 0.174 -0.065 -2.459) 2.466 4.953 ( -0.356 0.843 -1.735) 1.961 4.998 ( 0.827 1.697 -1.286) 2.284 5.071 ( -7.170 -4.135 8.723) 12.025 5.155 ( -0.824 -1.587 2.460) 3.041 5.314 ( 3.415 -4.933 2.646) 6.557 5.497 ( -1.592 2.427 -1.703) 3.365 5.638 ( -1.926 5.218 -6.105) 8.259 6.053 ( 0.653 -1.980 -4.241) 4.725 8.202 ( 0.546 0.762 -2.209) 2.399 8.529 ( -3.277 0.853 -1.471) 3.692 8.595 ( -0.504 0.317 0.245) 0.643 8.641 ( -4.142 2.830 2.292) 5.516 8.821 ( -6.613 4.167 7.064) 10.535 9.300 ( 0.068 1.416 -3.868) 4.120 9.713 ( -3.736 11.373 2.588) 12.247 10.771 ( 17.948 -14.882 -16.786) 28.729 11.055 ( 1.201 -2.319 6.524) 7.027 11.375 ( -3.322 2.704 6.167) 7.508 11.701 ( -2.313 3.428 3.272) 5.274 12.333 ( 2.419 -1.229 -5.270) 5.928 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 13.214 4.183 7.855) 15.932 1.057 ( 15.404 9.600 7.563) 19.663 1.401 ( -5.833 6.415 -0.398) 8.680 1.646 ( -2.656 10.585 10.962) 15.468 1.737 ( -9.503 1.460 6.072) 11.371 2.013 ( 6.618 11.927 9.920) 16.866 2.188 ( 1.242 -3.157 -1.222) 3.606 2.361 ( 2.933 -1.559 -3.555) 4.866 2.471 ( -2.781 -1.915 -3.513) 4.872 2.544 ( -1.399 -6.745 -0.996) 6.961 2.681 ( 1.327 -5.010 -0.058) 5.183 2.743 ( -6.535 2.872 1.971) 7.406 2.853 ( -1.493 -0.144 -0.133) 1.506 2.895 ( 1.521 2.672 2.816) 4.170 2.977 ( 2.688 -4.767 -3.344) 6.413 3.024 ( -0.947 -2.228 -4.778) 5.357 3.167 ( 1.410 -1.127 1.727) 2.498 3.229 ( -1.885 3.093 -8.184) 8.950 3.280 ( -2.792 -0.148 -0.090) 2.797 3.329 ( 1.412 0.300 1.284) 1.932 3.379 ( 2.344 1.051 -0.699) 2.662 3.478 ( -4.287 3.876 5.606) 8.051 3.519 ( -1.333 -4.688 -1.226) 5.025 3.622 ( -4.376 -0.982 2.873) 5.326 3.706 ( -3.138 1.027 0.311) 3.316 3.778 ( -8.452 3.159 6.379) 11.050 3.844 ( 3.133 1.698 2.941) 4.621 3.968 ( 5.052 -7.293 -2.507) 9.219 4.046 ( 0.461 0.186 -1.983) 2.044 4.086 ( 1.623 -3.388 -2.275) 4.392 4.213 ( -1.830 -5.224 0.828) 5.597 4.274 ( 0.830 0.164 1.265) 1.522 4.391 ( 4.393 3.793 -1.216) 5.930 4.430 ( -1.267 -3.620 -4.644) 6.023 4.600 ( 2.075 -0.303 -0.349) 2.126 4.643 ( 0.528 -2.041 2.446) 3.229 4.676 ( -0.529 0.537 -0.218) 0.785 4.703 ( 1.939 6.178 0.375) 6.486 4.812 ( -1.149 -1.394 -6.475) 6.722 4.866 ( 1.435 -0.827 -0.364) 1.696 4.950 ( -0.651 4.193 -1.453) 4.485 4.970 ( -1.913 -1.341 6.433) 6.844 5.046 ( 1.283 -1.052 1.342) 2.134 5.142 ( -0.303 -0.340 -1.008) 1.106 5.397 ( 4.120 -2.107 0.792) 4.694 5.447 ( -2.394 1.541 -1.621) 3.276 5.639 ( 2.980 2.615 -6.006) 7.197 6.046 ( 0.163 -1.957 -4.217) 4.652 8.204 ( 0.353 0.732 -2.253) 2.395 8.471 ( -1.885 5.289 5.601) 7.931 8.589 ( -0.590 0.862 -0.013) 1.045 8.620 ( 0.729 0.695 -0.125) 1.015 8.784 ( -1.000 1.596 3.689) 4.142 9.290 ( 0.093 0.302 -3.302) 3.317 9.672 ( -2.115 9.881 2.948) 10.525 10.943 ( 5.819 -8.649 -5.145) 11.624 11.094 ( 2.063 -9.637 -5.892) 11.482 11.326 ( -3.128 1.966 7.071) 7.978 11.643 ( -4.569 4.186 4.791) 7.833 12.371 ( 3.106 1.395 -6.081) 6.969 ======================= Grid point 58 (26/88) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -1.590 3.898 2.019) 4.669 1.192 ( -4.495 -7.371 5.083) 10.019 1.381 ( 12.999 9.888 1.263) 16.382 1.468 ( -11.635 7.558 13.285) 19.209 1.655 ( -0.507 6.482 3.278) 7.281 2.200 ( -1.947 4.361 2.649) 5.461 2.215 ( -2.172 9.916 7.910) 12.869 2.383 ( 2.098 -2.313 -5.614) 6.424 2.437 ( 3.865 -2.486 -1.977) 5.003 2.483 ( -4.443 -0.963 -0.878) 4.630 2.601 ( -4.205 1.239 -0.231) 4.390 2.682 ( 0.081 -7.003 -3.005) 7.621 2.859 ( 1.416 0.972 -0.956) 1.966 2.912 ( -1.862 3.191 -0.545) 3.735 2.970 ( 2.284 -1.537 -1.955) 3.376 3.065 ( 2.910 -2.621 0.464) 3.943 3.183 ( -0.230 1.690 -3.856) 4.216 3.198 ( 0.660 0.672 2.203) 2.396 3.243 ( -0.684 0.262 0.517) 0.896 3.342 ( 0.097 -2.984 1.156) 3.202 3.422 ( -3.320 3.718 1.533) 5.215 3.450 ( -1.040 -0.860 0.661) 1.503 3.510 ( 4.158 1.960 2.390) 5.180 3.587 ( 1.071 -3.085 1.444) 3.571 3.650 ( -2.832 -0.829 5.213) 5.990 3.728 ( 1.275 2.101 1.689) 2.982 3.920 ( 3.047 1.211 4.512) 5.577 4.033 ( -0.409 -4.921 -0.202) 4.943 4.045 ( 0.848 -1.672 -1.916) 2.680 4.075 ( -0.050 -6.543 -1.731) 6.768 4.195 ( 0.813 1.646 -3.033) 3.545 4.266 ( -1.478 -2.750 0.219) 3.130 4.417 ( 0.721 -3.144 -0.829) 3.331 4.475 ( 3.345 1.040 -1.089) 3.668 4.545 ( -3.776 2.547 -3.795) 5.928 4.608 ( -3.918 -2.663 3.005) 5.610 4.679 ( -1.378 -1.330 -1.393) 2.368 4.728 ( -0.758 -0.835 -5.226) 5.346 4.795 ( 0.649 4.305 0.580) 4.392 4.860 ( -2.809 3.993 -3.377) 5.936 4.913 ( 0.836 -2.935 4.318) 5.288 5.004 ( 2.102 1.193 2.699) 3.623 5.068 ( 0.090 -0.020 3.762) 3.763 5.153 ( 1.965 0.587 -4.192) 4.667 5.398 ( -1.978 2.096 -0.446) 2.917 5.469 ( 2.782 -2.305 -0.423) 3.638 5.683 ( 3.392 1.258 -5.494) 6.578 6.036 ( 0.240 -2.545 -4.292) 4.996 8.201 ( 0.105 0.466 -1.732) 1.797 8.497 ( 2.143 4.223 7.133) 8.562 8.579 ( -0.204 0.351 -0.549) 0.683 8.637 ( 0.742 0.619 -0.568) 1.121 8.789 ( 0.146 1.967 4.678) 5.077 9.287 ( 0.888 0.518 -3.949) 4.080 9.645 ( -1.812 7.850 3.145) 8.648 10.997 ( 0.929 -3.904 2.445) 4.699 11.052 ( -2.927 -14.070 -17.249) 22.452 11.344 ( 2.425 1.700 7.579) 8.137 11.568 ( -5.155 5.053 5.825) 9.275 12.405 ( 2.367 3.147 -5.182) 6.508 ======================= Grid point 59 (27/88) ======================= q-point: (-0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -18.371 -2.287 9.404) 20.764 1.050 ( -16.079 7.763 8.228) 19.660 1.507 ( 0.134 12.871 -1.903) 13.011 1.551 ( 8.417 3.621 8.909) 12.780 1.775 ( 9.913 4.107 3.510) 11.290 1.956 ( -20.609 16.735 12.480) 29.335 2.119 ( -0.105 -1.262 -3.587) 3.804 2.423 ( 0.686 -1.258 -4.362) 4.591 2.447 ( -1.026 -3.415 0.348) 3.582 2.527 ( 2.884 -3.584 -0.956) 4.698 2.617 ( 4.613 -3.528 -1.914) 6.115 2.681 ( 1.315 -4.964 -3.566) 6.252 2.823 ( -3.254 0.709 -4.445) 5.554 2.900 ( -0.256 -0.797 1.974) 2.144 3.033 ( 4.279 0.710 -1.046) 4.462 3.119 ( -0.033 -0.206 3.671) 3.677 3.168 ( -0.124 1.157 -0.393) 1.228 3.226 ( 2.489 0.096 0.630) 2.569 3.246 ( -0.523 -0.013 -3.269) 3.311 3.298 ( -4.731 2.784 1.054) 5.590 3.377 ( 1.758 -2.450 2.672) 4.029 3.499 ( 5.771 2.867 1.702) 6.665 3.586 ( 0.987 2.584 -0.925) 2.917 3.631 ( 2.296 -1.383 4.387) 5.141 3.684 ( 4.650 -3.713 1.358) 6.104 3.770 ( 1.503 0.291 1.827) 2.383 3.934 ( -3.627 0.175 6.520) 7.463 3.992 ( -1.205 -3.253 -3.308) 4.793 4.060 ( 2.588 0.061 0.788) 2.706 4.116 ( 1.651 -7.682 -0.254) 7.861 4.204 ( 0.381 4.572 -1.944) 4.983 4.248 ( 0.098 -3.033 -1.045) 3.210 4.405 ( -2.577 1.129 -1.867) 3.377 4.426 ( -3.317 -2.111 -3.769) 5.446 4.520 ( -4.817 0.841 1.347) 5.072 4.572 ( 2.116 -3.419 -1.456) 4.277 4.622 ( -1.316 -0.677 -0.740) 1.654 4.698 ( -3.149 -1.193 -0.589) 3.418 4.775 ( -0.386 3.449 -0.952) 3.599 4.795 ( -2.364 3.072 -2.423) 4.571 4.980 ( 3.476 0.375 -1.412) 3.770 5.020 ( -1.298 2.626 0.680) 3.007 5.094 ( 1.515 0.292 3.315) 3.656 5.177 ( 1.438 0.707 -0.711) 1.753 5.359 ( -2.390 -2.614 1.207) 3.742 5.504 ( 1.182 -0.135 -0.869) 1.473 5.733 ( 3.600 0.298 -3.650) 5.135 6.030 ( 0.689 -3.102 -4.425) 5.448 8.198 ( 0.080 0.237 -1.341) 1.365 8.570 ( 1.309 0.889 3.092) 3.473 8.589 ( 2.419 -1.365 -0.370) 2.803 8.646 ( 1.003 1.472 0.888) 1.990 8.840 ( 3.881 4.239 11.261) 12.643 9.297 ( 1.738 1.975 -5.220) 5.845 9.629 ( -0.619 5.882 3.543) 6.895 10.878 ( -8.575 -14.677 -27.519) 32.345 11.008 ( -1.205 -1.389 7.480) 7.702 11.436 ( 4.404 5.124 5.545) 8.741 11.492 ( -4.700 2.194 7.459) 9.085 12.424 ( 1.076 3.327 -4.403) 5.623 ======================= Grid point 60 (28/88) ======================= q-point: (-0.17 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -12.100 5.163 13.795) 19.062 0.788 ( -14.383 13.028 13.802) 23.814 1.383 ( -15.381 23.568 16.800) 32.776 1.585 ( -3.715 12.361 5.467) 14.017 1.761 ( -2.029 4.482 -2.528) 5.531 1.996 ( 12.952 2.200 2.914) 13.457 2.262 ( 13.149 -2.343 -1.809) 13.478 2.379 ( -3.390 -1.309 -2.538) 4.432 2.426 ( -0.553 -8.065 -0.834) 8.127 2.548 ( -2.329 -1.002 1.055) 2.746 2.622 ( -0.810 -4.763 -3.290) 5.845 2.700 ( -0.529 -2.402 -0.084) 2.461 2.819 ( 5.395 -2.939 -1.711) 6.378 2.888 ( -2.933 -4.421 -0.042) 5.305 3.044 ( -6.881 -0.343 7.241) 9.995 3.096 ( 1.673 -1.451 -2.313) 3.202 3.176 ( -0.711 3.930 -1.265) 4.189 3.218 ( 3.932 1.124 -1.407) 4.325 3.288 ( 2.604 -0.465 -3.330) 4.253 3.293 ( 3.148 1.737 -2.506) 4.383 3.441 ( 2.937 -0.633 2.581) 3.961 3.550 ( -1.365 -0.687 1.811) 2.370 3.633 ( 2.609 4.642 -1.414) 5.510 3.668 ( 1.313 -2.618 1.773) 3.423 3.728 ( -1.605 -0.567 -1.887) 2.542 3.807 ( 0.793 -2.638 2.699) 3.856 3.917 ( 3.107 0.051 1.981) 3.685 3.974 ( -0.077 -0.319 0.326) 0.462 4.087 ( -1.178 -2.022 -0.736) 2.454 4.121 ( -0.371 1.150 3.876) 4.060 4.183 ( -2.621 -3.623 1.213) 4.633 4.264 ( 1.344 0.355 -1.303) 1.905 4.324 ( -2.195 0.197 -6.408) 6.777 4.414 ( -1.496 0.695 0.318) 1.680 4.434 ( -0.094 3.336 0.016) 3.337 4.514 ( -7.360 1.814 0.303) 7.586 4.606 ( -2.158 -0.381 0.556) 2.261 4.702 ( 2.100 -0.270 -2.924) 3.610 4.744 ( 0.194 3.184 -1.030) 3.352 4.801 ( 3.231 -0.259 -2.749) 4.251 4.967 ( -3.250 3.121 -1.043) 4.625 5.017 ( 0.695 1.453 -2.685) 3.131 5.127 ( 0.822 -1.313 2.091) 2.602 5.210 ( 1.623 -0.149 3.642) 3.990 5.309 ( -4.186 -7.756 4.754) 10.014 5.512 ( 0.306 1.147 -1.721) 2.090 5.786 ( 2.304 -0.431 -4.117) 4.737 6.034 ( 1.188 -3.193 -4.200) 5.408 8.197 ( 0.252 0.214 -1.293) 1.335 8.576 ( -0.246 -1.705 -1.571) 2.331 8.602 ( -0.139 0.017 -0.065) 0.155 8.691 ( 2.095 -1.440 -1.335) 2.871 9.053 ( 10.977 -1.261 19.149) 22.108 9.319 ( 2.228 2.455 -5.099) 6.082 9.683 ( 8.279 5.275 3.175) 10.317 10.517 ( -19.543 -5.267 -34.381) 39.897 11.008 ( -1.433 0.113 9.540) 9.647 11.429 ( -3.113 9.391 5.235) 11.193 11.554 ( 5.098 -0.931 7.487) 9.106 12.409 ( -1.579 1.477 -3.967) 4.518 ======================= Grid point 61 (29/88) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 2.394 21.178 2.285) 21.436 1.027 ( -1.082 20.697 7.257) 21.959 1.711 ( -1.213 17.485 12.782) 21.692 1.770 ( -0.782 2.103 1.699) 2.815 1.896 ( 1.046 14.761 0.744) 14.817 2.114 ( -6.285 -2.431 3.770) 7.722 2.191 ( -0.312 -7.913 -0.302) 7.925 2.332 ( 6.253 0.866 -2.292) 6.716 2.401 ( 4.127 -6.209 -1.548) 7.615 2.501 ( -4.969 -1.882 -1.076) 5.421 2.517 ( 2.002 1.293 -4.271) 4.891 2.639 ( 0.117 -4.284 4.020) 5.876 2.731 ( -1.675 -2.182 0.579) 2.811 2.818 ( 0.952 -2.873 0.632) 3.092 2.955 ( -1.255 -2.098 1.931) 3.116 3.039 ( 1.466 -3.132 -1.443) 3.747 3.184 ( -0.254 -2.456 -2.991) 3.878 3.272 ( -0.112 2.044 -4.015) 4.507 3.277 ( 0.153 -3.383 -2.821) 4.407 3.388 ( -0.449 1.722 -2.396) 2.985 3.455 ( 0.359 -2.083 -2.130) 3.001 3.521 ( 2.221 -2.443 2.744) 4.293 3.629 ( -0.844 -4.379 -1.919) 4.855 3.645 ( 0.819 -5.017 3.535) 6.192 3.672 ( -3.854 1.302 0.781) 4.142 3.792 ( -0.110 0.798 1.799) 1.971 3.911 ( 0.188 -1.719 -0.109) 1.733 4.018 ( -1.184 -2.886 2.591) 4.055 4.055 ( -1.699 -0.007 3.447) 3.843 4.102 ( -0.557 5.229 -1.263) 5.408 4.221 ( 0.732 5.837 2.005) 6.215 4.290 ( -3.174 -1.342 -1.349) 3.700 4.334 ( 3.944 4.641 -1.854) 6.366 4.404 ( 0.089 0.875 1.398) 1.652 4.517 ( -0.103 -0.323 -0.026) 0.340 4.533 ( -0.503 5.246 1.896) 5.600 4.617 ( 4.394 1.762 -1.274) 4.903 4.702 ( 1.391 -2.882 -0.566) 3.250 4.721 ( 0.842 -4.522 -2.961) 5.471 4.844 ( 0.656 0.263 -0.613) 0.935 4.947 ( -1.684 -2.257 0.717) 2.906 5.039 ( -2.692 -1.657 8.284) 8.866 5.088 ( -0.918 -3.723 2.954) 4.840 5.147 ( -2.515 5.494 -3.894) 7.188 5.237 ( 2.122 2.092 1.556) 3.362 5.569 ( 0.451 3.831 -3.225) 5.028 5.761 ( -1.427 -0.403 -6.096) 6.273 5.949 ( 1.521 -7.427 -2.697) 8.047 8.238 ( 1.124 3.393 -4.927) 6.087 8.501 ( 0.052 -3.900 -4.553) 5.996 8.609 ( -0.128 0.363 0.129) 0.406 8.667 ( 0.116 -1.826 -1.076) 2.123 9.101 ( -6.683 4.904 5.207) 9.789 9.360 ( -0.228 1.690 -4.871) 5.161 9.836 ( 4.837 -1.642 -0.107) 5.110 10.237 ( 7.433 -9.758 -17.382) 21.274 11.130 ( -2.324 9.032 11.227) 14.595 11.442 ( -2.049 0.052 8.578) 8.819 11.819 ( 2.851 9.989 1.446) 10.488 12.286 ( -3.160 -4.851 -1.571) 5.999 ======================= Grid point 62 (30/88) ======================= q-point: ( 0.17 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 2.798 18.927 6.156) 20.098 1.088 ( 6.129 17.867 5.128) 19.572 1.703 ( -6.447 7.904 3.777) 10.877 1.801 ( 3.555 9.651 7.233) 12.573 1.951 ( -7.528 1.950 4.533) 9.001 1.995 ( 6.928 6.017 -2.149) 9.424 2.217 ( 1.223 -0.864 2.321) 2.762 2.302 ( -6.580 -3.498 -0.111) 7.453 2.427 ( 0.536 -1.366 0.297) 1.497 2.452 ( 0.244 -1.267 -0.646) 1.443 2.571 ( 3.688 -1.008 -4.385) 5.818 2.705 ( 6.359 -2.037 1.051) 6.759 2.770 ( 2.502 -3.115 1.780) 4.374 2.828 ( 0.422 -8.017 -1.021) 8.093 2.947 ( 0.780 0.022 -0.222) 0.811 3.035 ( -1.963 -1.999 -2.565) 3.799 3.143 ( -2.414 -1.142 -2.651) 3.762 3.269 ( 0.010 -2.056 -0.012) 2.057 3.272 ( 0.754 -0.984 0.159) 1.250 3.352 ( -1.257 2.907 -5.624) 6.454 3.444 ( -0.363 2.637 -0.501) 2.708 3.500 ( -3.973 -3.935 -2.653) 6.189 3.617 ( -2.146 0.430 1.928) 2.917 3.646 ( 1.909 -1.872 1.221) 2.939 3.719 ( 4.080 -7.662 3.860) 9.500 3.786 ( -1.142 -0.001 2.009) 2.311 3.883 ( -4.782 1.776 -1.367) 5.281 3.941 ( -2.968 0.170 4.792) 5.639 4.042 ( -3.316 -2.015 1.998) 4.364 4.070 ( -1.694 2.529 -2.074) 3.684 4.153 ( -6.517 1.855 3.851) 7.794 4.281 ( 1.898 1.535 -1.094) 2.675 4.394 ( 3.794 4.793 -3.934) 7.269 4.467 ( 4.356 -1.423 3.615) 5.837 4.480 ( -2.635 -0.028 -1.401) 2.984 4.564 ( 2.064 0.601 1.033) 2.385 4.681 ( 1.283 -0.793 1.009) 1.815 4.715 ( -0.090 -1.989 0.968) 2.214 4.757 ( 2.611 -4.126 -2.912) 5.685 4.857 ( 1.322 -1.476 -2.585) 3.257 4.937 ( 0.234 -0.641 2.625) 2.712 5.011 ( -1.034 -1.048 5.259) 5.461 5.090 ( -1.993 3.415 -3.898) 5.553 5.112 ( 0.969 -2.392 1.764) 3.126 5.305 ( 4.625 5.662 0.781) 7.352 5.558 ( -0.559 3.574 -3.412) 4.973 5.700 ( -2.071 1.561 -6.041) 6.574 5.967 ( 1.123 -6.884 -2.537) 7.423 8.242 ( 1.047 3.315 -5.264) 6.308 8.494 ( 0.640 -3.397 -4.590) 5.746 8.605 ( -0.149 0.611 0.036) 0.630 8.659 ( -0.690 -0.728 -0.371) 1.070 8.960 ( -7.535 9.182 4.167) 12.588 9.324 ( -1.743 0.443 -4.063) 4.443 9.871 ( 0.211 4.493 -1.213) 4.658 10.419 ( 12.990 -18.780 -11.187) 25.428 11.100 ( -4.270 6.826 10.235) 13.023 11.408 ( -4.085 0.600 7.755) 8.786 11.850 ( -0.520 9.662 3.024) 10.138 12.281 ( 3.474 -4.197 -4.444) 7.031 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 5.500 13.788 6.680) 16.278 1.272 ( 9.737 11.699 2.972) 15.508 1.523 ( -11.403 7.065 3.801) 13.942 1.812 ( -2.815 3.157 4.115) 5.901 1.841 ( -8.022 5.696 3.085) 10.311 2.105 ( 1.450 -4.432 -0.025) 4.663 2.217 ( 6.817 3.950 -2.488) 8.262 2.348 ( 0.077 -5.757 0.034) 5.757 2.412 ( 3.455 8.056 4.918) 10.051 2.462 ( -0.220 -2.309 -0.771) 2.444 2.613 ( 1.416 0.999 -2.910) 3.387 2.749 ( -1.417 -3.765 -4.005) 5.676 2.817 ( 1.429 -2.280 -2.554) 3.710 2.857 ( 4.820 -5.264 0.636) 7.166 2.953 ( -2.853 -0.035 -3.472) 4.494 3.043 ( 5.391 4.803 2.906) 7.783 3.118 ( 1.031 -3.404 0.407) 3.579 3.266 ( -0.410 -0.390 2.400) 2.466 3.301 ( -2.480 2.695 -4.867) 6.091 3.315 ( 3.373 -0.690 -0.207) 3.449 3.382 ( -5.171 -0.931 1.926) 5.596 3.482 ( 1.381 1.593 -2.495) 3.267 3.566 ( -3.395 2.396 3.718) 5.576 3.650 ( -5.448 3.349 2.732) 6.954 3.723 ( -2.148 -0.051 2.059) 2.976 3.776 ( 2.077 -6.959 -3.031) 7.869 3.864 ( -7.480 4.800 5.823) 10.626 3.873 ( 3.236 -2.875 3.104) 5.327 3.990 ( -1.023 -5.351 -0.585) 5.479 4.051 ( 0.802 -0.966 -1.292) 1.802 4.081 ( -3.220 -3.812 3.861) 6.309 4.297 ( -1.036 0.326 2.081) 2.347 4.406 ( -1.608 0.838 -3.274) 3.743 4.477 ( 3.235 3.565 -0.944) 4.906 4.549 ( 3.154 -3.570 0.855) 4.840 4.594 ( 0.518 -1.798 0.191) 1.881 4.673 ( -2.079 -1.994 -1.890) 3.445 4.705 ( -0.996 -5.132 0.843) 5.296 4.769 ( -0.057 -1.642 1.494) 2.221 4.884 ( 2.396 -1.293 -2.958) 4.020 4.930 ( -2.170 0.474 4.133) 4.692 5.053 ( -0.255 4.459 -3.084) 5.427 5.062 ( 3.437 3.037 1.168) 4.733 5.127 ( 0.810 -1.601 0.404) 1.839 5.393 ( 3.976 3.878 -1.687) 5.805 5.526 ( -1.437 4.249 -3.260) 5.545 5.674 ( 1.320 1.476 -4.987) 5.366 5.971 ( 0.082 -5.877 -2.520) 6.395 8.243 ( 0.801 3.314 -5.647) 6.597 8.495 ( 0.889 -2.237 -3.228) 4.027 8.608 ( 0.132 0.843 -0.127) 0.862 8.646 ( -0.271 0.544 0.102) 0.616 8.879 ( -2.744 8.498 4.691) 10.087 9.283 ( -1.032 -1.229 -3.151) 3.536 9.853 ( -1.513 7.456 -2.370) 7.969 10.581 ( 7.081 -23.752 -9.693) 26.613 11.050 ( -3.859 5.237 9.568) 11.570 11.357 ( -3.432 0.615 8.456) 9.147 11.836 ( -1.576 12.371 2.875) 12.798 12.349 ( 4.613 -3.725 -5.570) 8.135 ======================= Grid point 64 (32/88) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -6.473 6.113 4.569) 10.007 1.257 ( 0.787 9.918 0.571) 9.966 1.575 ( 7.655 8.482 8.023) 13.961 1.665 ( -5.395 10.563 4.129) 12.558 1.795 ( -0.822 5.636 2.092) 6.068 2.108 ( -2.428 -6.362 0.973) 6.879 2.296 ( 2.816 -6.261 -4.788) 8.370 2.349 ( -0.167 -2.647 -3.217) 4.170 2.425 ( -0.664 -5.865 -0.905) 5.972 2.490 ( 0.454 1.951 1.956) 2.800 2.581 ( -1.449 5.533 -6.716) 8.822 2.708 ( -5.908 5.361 4.529) 9.174 2.832 ( 3.051 -3.103 -8.690) 9.719 2.902 ( -1.455 -0.336 0.476) 1.567 2.975 ( 5.611 1.977 1.431) 6.118 3.094 ( 0.199 0.388 3.542) 3.569 3.204 ( 4.475 3.231 2.043) 5.885 3.217 ( -3.971 0.206 -0.105) 3.978 3.253 ( -0.263 0.319 -1.552) 1.606 3.329 ( -1.232 2.758 2.512) 3.929 3.410 ( 3.609 -1.000 1.455) 4.017 3.445 ( -2.064 -0.351 1.207) 2.417 3.563 ( 0.005 -0.225 3.114) 3.122 3.572 ( 0.831 3.730 0.435) 3.846 3.692 ( -2.890 2.902 0.383) 4.114 3.757 ( -2.415 -1.352 2.406) 3.667 3.866 ( 6.127 -4.283 -0.061) 7.475 3.922 ( -0.455 -2.740 6.433) 7.007 3.980 ( -0.275 -4.331 -1.575) 4.617 4.028 ( -1.853 -1.190 1.444) 2.634 4.108 ( 4.415 -5.747 -0.681) 7.279 4.246 ( -4.847 -4.080 4.150) 7.574 4.386 ( 0.235 0.400 -0.984) 1.088 4.519 ( 1.227 1.231 -2.355) 2.926 4.561 ( -3.399 0.374 -2.695) 4.354 4.592 ( 0.813 0.065 -0.367) 0.895 4.630 ( -0.710 -2.873 -0.742) 3.051 4.675 ( -1.841 -3.675 -2.444) 4.782 4.776 ( -1.099 -4.405 4.609) 6.470 4.883 ( -1.547 1.236 -1.021) 2.228 4.934 ( 1.945 1.223 0.542) 2.360 5.058 ( 0.891 3.209 -0.781) 3.421 5.101 ( 1.229 2.948 0.907) 3.320 5.166 ( 2.327 0.989 0.928) 2.693 5.408 ( -1.618 2.188 -4.175) 4.984 5.516 ( 1.659 3.667 -2.430) 4.701 5.700 ( 2.443 0.994 -4.063) 4.844 5.957 ( -0.509 -5.497 -2.784) 6.183 8.238 ( 0.636 3.377 -5.602) 6.571 8.512 ( 1.770 -2.640 -2.651) 4.139 8.599 ( -0.794 1.530 0.373) 1.764 8.653 ( 0.642 0.291 -0.324) 0.776 8.879 ( 0.965 7.604 5.990) 9.728 9.274 ( 1.206 -1.949 -2.747) 3.578 9.802 ( -2.601 7.429 -3.573) 8.644 10.606 ( -0.643 -25.140 -13.092) 28.352 11.035 ( -1.004 5.819 10.596) 12.130 11.346 ( -0.831 -0.182 10.021) 10.057 11.811 ( -1.862 14.821 1.711) 15.035 12.403 ( 2.677 -3.524 -4.650) 6.419 ======================= Grid point 65 (33/88) ======================= q-point: (-0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -9.021 15.285 2.285) 17.895 1.249 ( -8.209 12.118 5.249) 15.549 1.606 ( 4.911 4.317 7.398) 9.874 1.787 ( -0.371 8.367 0.354) 8.383 1.862 ( 12.280 6.764 2.212) 14.193 2.063 ( 0.267 -5.091 -0.001) 5.098 2.197 ( -11.577 0.266 -0.811) 11.608 2.340 ( -1.851 -2.303 -1.646) 3.382 2.406 ( -1.046 -3.857 0.406) 4.017 2.510 ( 0.624 1.084 -0.642) 1.405 2.538 ( -0.765 4.400 -2.448) 5.093 2.653 ( 1.474 -0.305 0.932) 1.771 2.805 ( -3.725 -0.948 -7.338) 8.284 2.863 ( -2.658 -1.506 1.879) 3.587 3.016 ( 0.454 -2.260 0.295) 2.324 3.117 ( -2.102 -1.834 4.519) 5.311 3.163 ( -1.260 -1.609 0.807) 2.197 3.233 ( 1.753 1.858 -3.801) 4.580 3.267 ( -0.449 1.162 -0.032) 1.246 3.360 ( 2.532 1.026 2.322) 3.585 3.421 ( 0.501 10.100 -0.319) 10.117 3.483 ( 2.645 -5.619 -1.896) 6.493 3.582 ( 0.702 -1.748 5.096) 5.433 3.652 ( 2.947 1.128 -1.243) 3.392 3.661 ( 3.602 1.312 1.945) 4.298 3.752 ( -0.062 -2.094 2.002) 2.898 3.908 ( -2.595 -3.052 3.101) 5.065 3.952 ( -0.132 -0.499 3.206) 3.247 3.994 ( 5.906 -3.149 1.396) 6.837 4.047 ( 1.754 -2.782 1.483) 3.607 4.163 ( -1.991 -3.676 3.251) 5.296 4.205 ( 3.593 -2.766 -0.430) 4.555 4.395 ( 0.558 -1.199 -0.748) 1.520 4.465 ( -4.593 4.097 -4.951) 7.899 4.520 ( 0.372 -1.749 -1.903) 2.611 4.585 ( -2.128 1.925 -0.335) 2.889 4.616 ( -0.170 0.157 -0.967) 0.994 4.644 ( -1.525 -1.990 0.980) 2.692 4.751 ( -1.386 -3.373 0.268) 3.657 4.865 ( -0.466 2.519 -0.281) 2.577 4.968 ( 1.375 -1.634 -0.613) 2.221 5.056 ( -0.904 0.325 0.698) 1.187 5.142 ( 2.350 4.081 0.811) 4.778 5.193 ( -0.496 -0.310 3.772) 3.817 5.329 ( -5.002 2.682 -3.678) 6.763 5.544 ( 1.819 2.685 -3.321) 4.642 5.736 ( 2.780 0.292 -3.410) 4.409 5.940 ( -0.160 -6.076 -3.204) 6.871 8.233 ( 0.754 3.448 -5.314) 6.380 8.531 ( 0.995 -4.186 -4.214) 6.023 8.594 ( 0.216 1.284 1.232) 1.792 8.658 ( 0.113 -0.196 -0.352) 0.419 8.957 ( 4.891 7.433 8.633) 12.398 9.308 ( 3.133 -1.154 -3.208) 4.630 9.744 ( -1.814 5.692 -4.414) 7.428 10.491 ( -5.813 -21.720 -17.478) 28.478 11.069 ( 0.532 6.750 11.371) 13.234 11.382 ( 0.726 -1.507 11.220) 11.344 11.781 ( -1.529 15.801 0.583) 15.886 12.415 ( -0.260 -4.246 -3.213) 5.331 ======================= Grid point 66 (34/88) ======================= q-point: (-0.17 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.270 22.135 0.687) 22.183 1.092 ( -8.621 17.324 9.162) 21.409 1.704 ( 1.511 5.690 3.601) 6.901 1.777 ( -0.964 6.477 2.390) 6.971 1.974 ( -9.976 12.568 4.113) 16.565 2.060 ( 8.024 4.248 3.963) 9.907 2.174 ( 7.492 -6.823 -1.810) 10.293 2.261 ( -1.436 -2.928 2.286) 3.983 2.368 ( -3.533 -0.963 -3.003) 4.736 2.514 ( 0.406 1.151 -4.402) 4.568 2.547 ( 1.233 -2.286 2.164) 3.381 2.677 ( -5.355 -0.997 -3.145) 6.290 2.731 ( 3.426 -5.461 0.493) 6.466 2.830 ( -1.931 -1.114 1.284) 2.573 3.018 ( -7.217 -2.172 4.795) 8.933 3.024 ( 0.611 -4.210 -1.788) 4.615 3.175 ( 1.509 -1.991 -1.925) 3.153 3.257 ( 2.314 -1.024 -1.760) 3.083 3.281 ( 1.562 3.236 -6.289) 7.243 3.397 ( -0.023 5.728 -0.694) 5.770 3.439 ( 2.521 -3.245 4.082) 5.792 3.469 ( -0.666 -5.221 -4.387) 6.852 3.619 ( 0.586 -1.818 6.397) 6.676 3.688 ( -1.545 -0.357 -3.262) 3.627 3.719 ( -0.368 -0.316 1.169) 1.266 3.769 ( 2.260 -0.689 2.562) 3.485 3.892 ( 1.234 -2.246 -0.509) 2.612 3.978 ( 0.832 -3.433 4.639) 5.831 4.062 ( 1.910 1.002 1.277) 2.507 4.091 ( 1.245 -1.066 3.712) 4.057 4.180 ( 2.225 3.491 2.686) 4.935 4.271 ( 3.146 1.277 -1.110) 3.572 4.355 ( -3.686 1.119 -2.825) 4.777 4.414 ( 0.221 0.492 -1.882) 1.958 4.522 ( -1.272 3.465 -0.238) 3.699 4.546 ( -0.068 1.408 0.365) 1.456 4.589 ( -1.939 -0.966 0.808) 2.312 4.659 ( 2.982 -1.372 -1.115) 3.466 4.734 ( -0.358 -4.114 -3.240) 5.249 4.850 ( -1.003 3.231 -0.172) 3.388 4.973 ( -0.631 -2.765 -1.033) 3.019 5.043 ( -0.873 -0.110 3.601) 3.707 5.151 ( -5.199 -5.442 6.809) 10.150 5.183 ( 0.566 8.402 0.323) 8.427 5.231 ( -2.733 0.123 -3.014) 4.070 5.563 ( 1.320 3.457 -3.324) 4.974 5.773 ( 1.878 -0.942 -4.539) 5.001 5.935 ( 0.779 -6.967 -3.058) 7.648 8.233 ( 1.006 3.462 -5.009) 6.172 8.520 ( -0.352 -4.079 -4.446) 6.044 8.606 ( 0.381 0.371 0.598) 0.800 8.663 ( 0.548 -1.376 -0.857) 1.711 9.094 ( 4.654 4.589 9.633) 11.641 9.354 ( 2.445 0.594 -4.325) 5.004 9.735 ( 3.359 2.130 -3.580) 5.351 10.308 ( -5.962 -14.083 -20.034) 25.204 11.114 ( 0.014 8.627 11.594) 14.451 11.429 ( 0.090 -1.498 10.680) 10.785 11.773 ( 0.949 13.988 0.373) 14.025 12.368 ( -3.765 -5.254 -1.764) 6.700 ======================= Grid point 67 (35/88) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.688 20.340 -0.955) 20.374 1.395 ( -0.274 16.508 3.811) 16.945 1.670 ( -0.543 -9.716 2.501) 10.047 1.689 ( -0.117 -15.200 -0.496) 15.208 2.054 ( 1.274 3.075 0.418) 3.354 2.121 ( -0.578 1.590 1.822) 2.487 2.245 ( 1.239 -0.247 2.012) 2.375 2.332 ( 1.252 1.961 -0.556) 2.392 2.411 ( 1.531 5.138 -1.663) 5.613 2.480 ( 0.786 -7.325 0.011) 7.367 2.547 ( -3.140 10.872 6.818) 13.212 2.638 ( -0.063 7.267 -5.203) 8.938 2.694 ( 0.580 -1.983 -2.819) 3.495 2.800 ( -2.236 -1.874 1.305) 3.196 2.946 ( -1.648 0.874 -1.355) 2.305 3.021 ( 3.104 3.577 0.901) 4.821 3.109 ( -2.375 -13.972 0.751) 14.192 3.134 ( 0.441 -4.863 -0.912) 4.968 3.275 ( 0.885 0.168 -2.228) 2.403 3.316 ( 3.669 -3.982 -5.577) 7.773 3.474 ( -1.545 2.865 1.308) 3.508 3.510 ( -1.065 -0.889 3.115) 3.410 3.544 ( -1.365 -2.208 -0.005) 2.596 3.565 ( -1.901 -3.012 2.404) 4.298 3.712 ( -2.280 2.774 3.055) 4.714 3.770 ( -1.013 -2.828 2.582) 3.961 3.895 ( 0.806 0.904 1.648) 2.045 3.939 ( 1.043 -3.293 2.149) 4.068 4.114 ( -1.842 4.112 0.433) 4.526 4.202 ( -0.910 -4.554 -0.738) 4.702 4.252 ( 0.449 8.625 -0.650) 8.661 4.349 ( -0.319 4.276 0.971) 4.397 4.371 ( 3.263 -1.922 2.392) 4.479 4.435 ( 0.932 -2.563 -5.615) 6.243 4.525 ( -0.182 4.407 1.563) 4.680 4.609 ( 1.015 -0.621 0.044) 1.191 4.625 ( 2.605 0.707 -1.365) 3.024 4.647 ( 0.904 -0.123 -0.465) 1.024 4.660 ( -0.457 0.316 1.044) 1.183 4.778 ( -3.115 -7.078 2.186) 8.036 4.954 ( -0.426 2.560 2.224) 3.418 5.010 ( -1.441 -3.028 2.616) 4.253 5.044 ( -1.031 2.052 2.009) 3.051 5.118 ( -1.970 -4.383 -1.568) 5.055 5.451 ( 2.614 13.785 -1.157) 14.079 5.625 ( 1.176 -0.372 -3.842) 4.035 5.738 ( -0.192 -1.575 -4.903) 5.153 5.780 ( 0.366 -8.035 -2.267) 8.357 8.320 ( 1.054 4.819 -5.900) 7.690 8.415 ( 0.610 -4.867 -5.735) 7.546 8.618 ( -0.008 0.603 -0.030) 0.603 8.636 ( 0.097 -1.324 -0.504) 1.420 9.222 ( -2.762 6.935 2.225) 7.789 9.339 ( -0.888 -4.237 -1.138) 4.476 9.865 ( 5.036 5.425 -5.325) 9.119 10.028 ( 4.402 -10.588 -11.307) 16.104 11.306 ( -2.409 8.021 10.802) 13.668 11.416 ( -1.808 -3.229 9.886) 10.556 12.005 ( 0.456 8.994 -0.399) 9.014 12.164 ( -1.675 -7.474 -0.998) 7.725 ======================= Grid point 68 (36/88) ======================= q-point: ( 0.17 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 1.929 19.230 2.074) 19.437 1.418 ( 2.560 15.658 1.428) 15.930 1.673 ( -0.119 -10.066 2.204) 10.305 1.705 ( 1.214 -14.497 0.123) 14.549 1.944 ( -9.436 4.408 1.542) 10.528 2.076 ( -6.295 -5.687 2.945) 8.980 2.276 ( 3.136 7.335 -0.254) 7.981 2.355 ( -0.286 2.281 0.345) 2.325 2.439 ( 0.721 0.337 -3.087) 3.188 2.528 ( 5.324 -3.801 -1.529) 6.718 2.581 ( 2.467 10.867 7.270) 13.305 2.677 ( 5.547 3.176 -4.816) 8.003 2.723 ( 2.604 -1.954 -6.738) 7.483 2.756 ( -2.316 1.088 4.255) 4.965 2.915 ( 0.157 -2.000 -2.844) 3.480 3.021 ( -0.161 -2.030 0.948) 2.247 3.121 ( 0.214 -1.879 -1.099) 2.187 3.166 ( 3.752 -5.007 1.143) 6.360 3.282 ( 0.237 1.053 -0.397) 1.150 3.349 ( 0.765 -5.382 -4.671) 7.167 3.444 ( -2.098 2.745 1.080) 3.620 3.494 ( 1.540 1.317 -1.105) 2.308 3.549 ( -0.383 -5.550 2.995) 6.318 3.577 ( 1.828 -4.301 2.526) 5.312 3.675 ( -2.256 3.614 4.093) 5.908 3.748 ( -1.936 -3.434 2.353) 4.591 3.889 ( -1.875 0.726 1.119) 2.301 3.921 ( -3.223 -2.144 2.630) 4.681 4.075 ( -2.544 3.690 0.823) 4.557 4.131 ( -4.472 -0.191 -1.476) 4.713 4.217 ( -5.787 6.392 2.549) 8.991 4.336 ( -2.519 0.169 2.580) 3.609 4.402 ( 0.173 -1.510 1.183) 1.926 4.446 ( 1.762 -1.207 -3.372) 3.991 4.531 ( 1.333 6.177 0.790) 6.368 4.595 ( -1.123 1.480 0.421) 1.905 4.626 ( -3.024 -2.884 0.376) 4.196 4.656 ( -0.104 -4.746 0.185) 4.751 4.710 ( 3.533 0.257 -0.495) 3.577 4.770 ( 2.566 -5.222 -1.037) 5.910 4.968 ( 0.591 2.609 2.684) 3.789 5.014 ( 2.010 -0.872 0.928) 2.380 5.055 ( 1.215 0.201 0.808) 1.473 5.101 ( 0.989 -2.337 -2.492) 3.557 5.503 ( 2.431 11.732 -0.676) 12.000 5.615 ( -0.627 1.206 -4.218) 4.431 5.711 ( -0.465 0.219 -5.025) 5.051 5.800 ( 2.090 -9.427 -1.594) 9.787 8.323 ( 1.245 4.713 -6.157) 7.853 8.415 ( 1.288 -4.633 -5.839) 7.565 8.617 ( 0.088 0.721 -0.128) 0.737 8.636 ( 0.058 -1.234 -0.368) 1.289 9.145 ( -4.993 9.236 1.027) 10.549 9.287 ( -3.344 -4.797 -2.074) 6.204 9.945 ( 4.079 5.106 -3.750) 7.534 10.111 ( 6.421 -12.443 -7.247) 15.766 11.261 ( -5.325 8.359 10.395) 14.363 11.382 ( -4.621 -3.705 9.468) 11.168 12.028 ( 1.793 8.473 -0.124) 8.662 12.174 ( 3.102 -6.658 -2.603) 7.793 ======================= Grid point 69 (37/88) ======================= q-point: ( 0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.807 17.352 3.909) 17.806 1.505 ( 4.062 12.177 -1.621) 12.938 1.659 ( -2.915 1.490 2.241) 3.967 1.697 ( -1.066 -12.795 3.605) 13.336 1.836 ( -2.008 -0.674 -0.175) 2.125 1.972 ( -3.131 -9.355 2.876) 10.276 2.272 ( -5.652 2.760 -0.541) 6.313 2.337 ( -1.101 -0.986 1.913) 2.417 2.450 ( 2.236 6.151 -3.030) 7.212 2.568 ( -4.076 5.485 -1.035) 6.911 2.620 ( 4.924 -5.142 -7.932) 10.659 2.704 ( 0.893 0.984 -5.236) 5.402 2.780 ( 2.015 -1.492 4.642) 5.276 2.820 ( 5.569 -3.895 -0.131) 6.797 2.953 ( 5.636 6.540 -3.298) 9.242 3.063 ( 0.184 -2.799 -1.186) 3.045 3.145 ( 6.493 5.550 2.935) 9.032 3.257 ( 4.272 -4.631 -0.269) 6.306 3.277 ( 0.489 1.780 2.510) 3.116 3.328 ( -0.869 -2.222 -3.395) 4.149 3.403 ( -2.980 4.843 2.438) 6.187 3.528 ( -0.974 1.399 1.040) 1.996 3.567 ( 3.248 -7.840 -1.879) 8.692 3.594 ( -1.151 -2.008 2.462) 3.379 3.677 ( -0.051 -0.326 7.252) 7.260 3.722 ( -1.046 -1.644 2.853) 3.455 3.841 ( -2.393 0.732 0.646) 2.585 3.879 ( -1.582 -3.471 1.678) 4.167 3.991 ( -6.925 4.958 2.296) 8.821 4.058 ( -3.154 -1.128 0.217) 3.357 4.098 ( -5.912 6.746 4.655) 10.106 4.249 ( -7.202 -6.339 4.695) 10.682 4.419 ( 0.523 1.755 0.175) 1.840 4.473 ( 1.917 -2.291 -1.172) 3.209 4.545 ( -0.685 0.198 -1.142) 1.347 4.564 ( -1.951 -3.079 -0.107) 3.647 4.597 ( 1.299 0.604 -0.687) 1.588 4.650 ( -0.671 -2.675 0.144) 2.762 4.759 ( 1.741 2.039 0.459) 2.720 4.825 ( 3.118 -3.751 -2.835) 5.641 4.978 ( -0.272 3.230 2.473) 4.078 5.045 ( 0.223 -3.456 0.608) 3.516 5.113 ( 4.366 2.494 -1.251) 5.181 5.139 ( 3.659 0.426 -2.292) 4.339 5.515 ( -0.329 6.774 -3.271) 7.530 5.580 ( -1.479 0.503 -4.522) 4.784 5.713 ( 1.989 3.419 -3.139) 5.050 5.831 ( 1.407 -7.886 -1.371) 8.127 8.326 ( 1.244 5.024 -6.716) 8.479 8.423 ( 1.533 -4.723 -5.991) 7.782 8.621 ( 0.313 0.675 -0.111) 0.753 8.637 ( 0.203 -0.911 -0.202) 0.955 9.069 ( -3.022 9.929 1.611) 10.503 9.224 ( -2.348 -5.472 -1.654) 6.179 9.977 ( 0.660 7.034 -4.444) 8.346 10.187 ( 3.165 -15.702 -5.478) 16.929 11.199 ( -4.194 8.413 10.595) 14.164 11.327 ( -3.932 -4.147 9.797) 11.342 12.061 ( 1.628 10.496 -0.554) 10.636 12.237 ( 3.849 -7.610 -3.365) 9.168 ======================= Grid point 70 (38/88) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -1.896 16.063 2.686) 16.396 1.487 ( -0.347 12.666 -0.651) 12.687 1.663 ( -0.996 -3.258 2.444) 4.193 1.711 ( 0.838 -11.490 4.233) 12.274 1.842 ( 4.679 7.214 0.914) 8.647 1.975 ( -1.058 -6.289 3.517) 7.283 2.180 ( -0.452 -2.650 -3.002) 4.030 2.254 ( -6.694 -8.191 -0.669) 10.600 2.474 ( -0.153 10.438 -2.358) 10.702 2.524 ( -0.113 2.027 -3.009) 3.630 2.629 ( 1.083 1.331 -10.270) 10.412 2.751 ( 5.183 -6.001 -4.300) 9.020 2.786 ( -3.095 2.242 2.548) 4.593 2.856 ( -1.234 -4.453 1.324) 4.807 3.043 ( 2.508 0.849 -1.142) 2.884 3.063 ( 0.994 -1.056 -0.901) 1.707 3.265 ( 1.402 2.025 -2.399) 3.438 3.285 ( -1.589 2.379 -0.117) 2.863 3.313 ( 0.784 2.216 1.859) 2.997 3.334 ( -1.017 7.509 3.637) 8.405 3.385 ( 1.312 -1.423 5.170) 5.520 3.480 ( -0.615 -1.927 3.134) 3.730 3.571 ( 0.638 2.264 -1.103) 2.598 3.631 ( 2.554 -0.632 0.194) 2.638 3.678 ( -0.245 0.666 4.406) 4.462 3.743 ( -0.413 0.869 4.751) 4.847 3.832 ( 0.033 -4.349 3.488) 5.575 3.875 ( 0.836 -5.647 -0.259) 5.714 3.896 ( -0.985 3.669 1.147) 3.969 3.996 ( -4.553 -4.258 3.330) 7.068 4.064 ( 1.366 2.819 3.250) 4.513 4.147 ( -3.623 -4.786 4.911) 7.756 4.412 ( -0.918 2.667 0.298) 2.836 4.493 ( -0.356 -5.246 0.064) 5.259 4.519 ( -0.469 -0.257 -1.943) 2.015 4.556 ( 0.369 -4.099 -1.038) 4.245 4.627 ( 1.770 0.512 -1.313) 2.263 4.632 ( -0.875 0.796 -1.111) 1.623 4.776 ( -0.303 3.545 1.555) 3.883 4.855 ( 0.842 -3.567 -2.517) 4.446 4.978 ( -0.453 3.064 2.045) 3.712 5.041 ( -0.599 -3.129 0.340) 3.204 5.175 ( 2.536 3.132 -1.512) 4.304 5.198 ( 2.050 0.950 -0.338) 2.285 5.486 ( -1.016 4.844 -5.385) 7.314 5.549 ( 0.258 -0.822 -4.711) 4.789 5.741 ( 1.392 3.498 -2.237) 4.379 5.837 ( -0.225 -6.236 -1.601) 6.442 8.326 ( 1.091 5.427 -7.002) 8.926 8.432 ( 1.388 -5.158 -6.128) 8.130 8.623 ( -0.194 1.037 0.120) 1.062 8.643 ( 0.336 -1.019 -0.202) 1.092 9.052 ( 0.644 9.222 2.760) 9.648 9.202 ( 0.720 -5.785 -0.844) 5.890 9.945 ( -2.001 8.636 -6.123) 10.774 10.186 ( -0.901 -17.177 -7.377) 18.715 11.184 ( -1.148 8.210 11.428) 14.118 11.309 ( -1.347 -4.190 10.609) 11.486 12.077 ( 0.135 12.303 -0.946) 12.340 12.281 ( 1.690 -8.698 -2.941) 9.336 ======================= Grid point 71 (39/88) ======================= q-point: (-0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -2.265 20.043 -0.961) 20.193 1.497 ( -2.585 12.503 2.540) 13.018 1.645 ( 0.493 -4.639 1.575) 4.923 1.742 ( 0.538 -9.605 2.851) 10.034 1.936 ( -0.600 -3.502 4.387) 5.646 1.965 ( 3.752 -0.687 5.239) 6.480 2.149 ( -0.854 1.259 -6.899) 7.065 2.252 ( 6.545 -6.844 -4.848) 10.639 2.432 ( -2.940 5.855 -0.042) 6.552 2.519 ( 0.546 -2.348 -2.749) 3.656 2.630 ( 1.185 5.773 -8.674) 10.486 2.703 ( -4.804 2.371 1.562) 5.580 2.830 ( -1.015 -1.717 3.168) 3.743 2.839 ( 3.785 -0.930 -1.630) 4.224 2.998 ( -8.175 2.821 1.943) 8.864 3.059 ( -2.117 -2.816 1.290) 3.752 3.174 ( -5.331 3.234 1.137) 6.338 3.251 ( -0.968 -0.936 -4.393) 4.594 3.282 ( 0.095 -0.233 -3.991) 3.999 3.329 ( -4.620 -5.840 0.148) 7.448 3.411 ( 2.402 4.072 4.666) 6.643 3.518 ( 0.079 -5.238 6.506) 8.353 3.618 ( -0.293 7.099 0.676) 7.137 3.673 ( 0.695 -0.528 2.524) 2.670 3.702 ( 2.556 3.244 1.768) 4.493 3.733 ( -0.310 1.663 4.360) 4.677 3.832 ( -0.376 -3.386 0.200) 3.413 3.886 ( -1.622 -5.598 5.282) 7.866 3.969 ( 4.541 -1.527 1.337) 4.974 3.990 ( 8.114 -1.696 -2.451) 8.644 4.142 ( 4.967 1.248 3.727) 6.334 4.173 ( 3.930 -1.032 3.615) 5.438 4.396 ( -0.746 2.024 -0.048) 2.158 4.465 ( -1.332 -3.922 -2.033) 4.613 4.525 ( -1.185 0.700 0.299) 1.408 4.535 ( -0.362 -1.705 -0.024) 1.743 4.624 ( 0.343 0.750 -1.234) 1.484 4.648 ( 0.858 -1.367 -2.612) 3.071 4.757 ( -2.361 4.430 1.872) 5.358 4.846 ( -0.806 -3.907 -1.316) 4.201 4.974 ( -0.735 2.290 1.999) 3.127 5.028 ( -0.817 -2.807 0.741) 3.016 5.180 ( -2.405 1.456 0.486) 2.853 5.205 ( -0.806 -0.053 0.385) 0.895 5.450 ( -0.866 8.042 -5.383) 9.716 5.562 ( 2.513 -2.067 -5.073) 6.027 5.750 ( 0.641 1.524 -2.578) 3.063 5.817 ( -1.147 -5.626 -1.885) 6.043 8.323 ( 0.983 5.564 -6.784) 8.829 8.434 ( 0.900 -5.633 -6.231) 8.448 8.618 ( -0.278 1.263 0.365) 1.344 8.643 ( -0.244 -1.213 -0.136) 1.245 9.110 ( 4.114 7.978 3.930) 9.799 9.245 ( 3.677 -5.438 -0.345) 6.573 9.878 ( -2.363 9.087 -7.908) 12.275 10.118 ( -2.822 -16.061 -10.611) 19.455 11.222 ( 0.958 7.846 11.963) 14.339 11.339 ( 0.588 -3.885 11.102) 11.777 12.059 ( -1.603 12.898 -0.964) 13.033 12.277 ( -1.318 -9.515 -1.931) 9.798 ======================= Grid point 72 (40/88) ======================= q-point: (-0.17 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.038 21.213 -2.963) 21.418 1.422 ( -4.581 15.618 5.122) 17.063 1.666 ( 0.588 -8.853 0.545) 8.889 1.724 ( -2.750 -12.093 0.789) 12.427 1.985 ( 3.341 -1.108 3.687) 5.097 2.044 ( 5.161 -4.839 3.316) 7.814 2.194 ( 4.694 7.501 -3.031) 9.353 2.326 ( 1.988 -3.788 -2.640) 5.027 2.391 ( -0.766 6.203 -1.143) 6.353 2.511 ( -1.358 -3.353 -2.598) 4.454 2.602 ( -2.048 2.849 -1.870) 3.975 2.657 ( -0.119 0.906 2.050) 2.244 2.763 ( -9.536 12.393 1.888) 15.751 2.843 ( -0.488 2.871 1.150) 3.131 2.938 ( 2.121 -4.647 -2.128) 5.534 2.990 ( -3.156 -2.764 4.532) 6.176 3.134 ( -0.483 -2.092 -1.912) 2.874 3.198 ( -5.264 -12.457 -0.159) 13.525 3.254 ( 1.373 0.818 -3.424) 3.779 3.292 ( 1.040 -2.067 -7.011) 7.383 3.466 ( 1.844 2.801 3.818) 5.082 3.514 ( -2.182 0.572 5.157) 5.628 3.583 ( -2.366 0.362 2.540) 3.490 3.640 ( -4.660 -3.155 -0.886) 5.697 3.724 ( -0.009 1.162 2.775) 3.008 3.763 ( 0.765 -1.763 3.891) 4.340 3.856 ( 2.390 0.043 1.051) 2.611 3.894 ( 1.633 -3.160 2.945) 4.618 4.107 ( 3.399 2.254 0.570) 4.118 4.117 ( 8.225 1.783 -0.408) 8.426 4.233 ( 2.532 1.886 2.860) 4.260 4.277 ( 5.786 -1.749 0.487) 6.064 4.377 ( -1.869 2.645 -0.099) 3.240 4.443 ( -0.165 -2.167 -3.944) 4.504 4.495 ( 1.073 2.011 -0.735) 2.395 4.563 ( 1.624 -1.427 1.996) 2.942 4.625 ( -0.248 0.553 -0.464) 0.764 4.641 ( -0.154 -2.271 -2.231) 3.187 4.704 ( -3.507 5.120 1.342) 6.349 4.823 ( -1.732 -5.547 0.685) 5.852 4.963 ( -1.038 2.033 2.242) 3.199 5.018 ( -0.595 -2.976 1.610) 3.436 5.105 ( -5.159 1.857 2.346) 5.964 5.170 ( -2.736 -3.645 -0.236) 4.564 5.429 ( 0.453 12.624 -3.539) 13.119 5.599 ( 2.682 -2.246 -4.406) 5.626 5.750 ( 0.330 -0.886 -3.924) 4.036 5.792 ( -0.687 -5.912 -2.076) 6.303 8.320 ( 0.937 5.266 -6.234) 8.214 8.426 ( 0.346 -5.417 -5.970) 8.069 8.617 ( 0.008 0.816 0.241) 0.851 8.637 ( -0.164 -1.241 -0.325) 1.294 9.205 ( 3.353 6.312 4.256) 8.319 9.316 ( 3.234 -4.486 -0.209) 5.534 9.829 ( 0.635 8.088 -8.219) 11.549 10.038 ( -1.032 -13.002 -12.635) 18.159 11.281 ( 0.841 7.715 11.558) 13.922 11.390 ( 0.709 -3.412 10.752) 11.302 12.021 ( -1.780 11.675 -0.735) 11.833 12.224 ( -3.494 -9.268 -0.914) 9.947 ======================= Grid point 91 (41/88) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -9.191 0.000 17.038) 19.359 0.885 ( -3.880 0.000 18.337) 18.743 1.430 ( 0.669 0.000 1.050) 1.245 1.618 ( 4.952 0.000 -6.805) 8.416 1.701 ( -5.737 0.000 39.278) 39.695 2.256 ( 4.687 0.000 2.986) 5.557 2.337 ( 3.169 0.000 -3.495) 4.717 2.391 ( -4.225 0.000 -0.149) 4.227 2.505 ( -2.200 0.000 2.187) 3.102 2.539 ( 5.540 0.000 -4.392) 7.069 2.628 ( 5.462 0.000 0.761) 5.515 2.747 ( 2.988 0.000 -0.594) 3.046 2.819 ( 5.996 0.000 -10.439) 12.039 2.821 ( -8.659 0.000 0.036) 8.659 3.021 ( -2.627 0.000 -2.259) 3.465 3.035 ( -7.652 0.000 0.389) 7.662 3.134 ( -4.008 0.000 -2.085) 4.518 3.270 ( 4.097 0.000 3.392) 5.319 3.350 ( 6.410 0.000 1.133) 6.509 3.435 ( -3.329 0.000 1.877) 3.822 3.444 ( -2.835 0.000 0.750) 2.932 3.445 ( 0.997 0.000 0.016) 0.997 3.539 ( -1.977 0.000 -2.800) 3.427 3.718 ( 7.739 0.000 -8.309) 11.354 3.767 ( 0.225 0.000 -1.016) 1.040 3.801 ( -1.443 0.000 0.907) 1.704 3.922 ( -2.522 0.000 -3.588) 4.386 4.028 ( 1.739 0.000 -3.258) 3.693 4.037 ( -3.142 0.000 1.703) 3.574 4.069 ( -3.943 0.000 0.293) 3.953 4.152 ( -0.107 0.000 3.347) 3.349 4.222 ( 1.568 0.000 -1.194) 1.971 4.271 ( 1.126 0.000 0.743) 1.349 4.366 ( -2.722 0.000 5.165) 5.838 4.464 ( -2.768 0.000 -5.818) 6.443 4.490 ( 4.656 0.000 3.176) 5.636 4.516 ( 4.818 0.000 1.008) 4.923 4.635 ( -3.642 0.000 -0.227) 3.649 4.740 ( 4.940 0.000 -0.472) 4.963 4.847 ( -1.060 0.000 -3.167) 3.340 4.895 ( 2.984 0.000 -1.324) 3.265 4.920 ( -1.034 0.000 -2.139) 2.375 5.191 ( 0.054 0.000 2.977) 2.978 5.377 ( 0.391 0.000 6.290) 6.302 5.408 ( 1.821 0.000 -2.942) 3.460 5.502 ( -1.562 0.000 1.310) 2.038 5.647 ( -7.762 0.000 -0.603) 7.786 5.935 ( 1.346 0.000 -7.803) 7.918 8.256 ( -0.621 0.000 3.136) 3.197 8.509 ( -0.917 0.000 -4.562) 4.654 8.606 ( -0.166 0.000 0.575) 0.598 8.673 ( -0.013 0.000 -1.761) 1.761 9.210 ( 3.315 0.000 -1.348) 3.579 9.317 ( -26.604 0.000 -1.483) 26.645 9.712 ( -3.694 0.000 7.057) 7.965 10.128 ( 29.624 0.000 -7.764) 30.624 11.194 ( -0.445 0.000 7.034) 7.048 11.508 ( 3.509 0.000 12.673) 13.150 11.619 ( -3.710 0.000 -4.576) 5.891 12.230 ( 0.236 0.000 -7.993) 7.996 ======================= Grid point 92 (42/88) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 6.848 0.000 13.397) 15.046 0.958 ( 5.560 0.000 15.979) 16.919 1.356 ( -6.267 0.000 2.744) 6.842 1.740 ( 9.113 0.000 -5.903) 10.858 1.848 ( 4.936 0.000 34.657) 35.007 2.229 ( -10.625 0.000 7.469) 12.987 2.272 ( -0.270 0.000 -2.004) 2.022 2.311 ( -3.764 0.000 -3.330) 5.025 2.538 ( -13.808 0.000 -0.840) 13.834 2.636 ( 10.170 0.000 0.403) 10.178 2.673 ( 5.552 0.000 -2.101) 5.936 2.731 ( 2.749 0.000 4.108) 4.943 2.832 ( 1.212 0.000 -7.215) 7.316 2.853 ( 1.281 0.000 -10.050) 10.131 2.940 ( 0.427 0.000 -1.103) 1.183 2.948 ( -3.500 0.000 -3.614) 5.031 3.059 ( -1.837 0.000 -1.370) 2.292 3.304 ( -3.641 0.000 4.141) 5.514 3.338 ( -3.029 0.000 1.416) 3.344 3.352 ( -0.181 0.000 1.051) 1.066 3.434 ( -4.997 0.000 5.123) 7.157 3.512 ( 1.889 0.000 0.968) 2.123 3.560 ( 2.717 0.000 -2.100) 3.434 3.719 ( -2.156 0.000 -2.913) 3.624 3.749 ( -2.026 0.000 0.479) 2.082 3.857 ( 3.234 0.000 1.354) 3.506 3.888 ( 3.226 0.000 -7.145) 7.840 3.993 ( -1.068 0.000 -1.352) 1.723 3.997 ( -0.550 0.000 1.626) 1.717 4.087 ( 4.952 0.000 -4.730) 6.848 4.090 ( -8.693 0.000 5.228) 10.144 4.253 ( 1.544 0.000 -1.206) 1.959 4.317 ( 5.330 0.000 1.711) 5.597 4.396 ( -2.025 0.000 -6.010) 6.342 4.503 ( 11.669 0.000 -2.352) 11.903 4.554 ( -3.807 0.000 -1.373) 4.047 4.599 ( 4.641 0.000 1.522) 4.885 4.608 ( 3.925 0.000 -0.674) 3.982 4.759 ( -5.120 0.000 -1.449) 5.321 4.820 ( 2.866 0.000 0.314) 2.883 4.892 ( -0.718 0.000 -2.166) 2.282 4.955 ( 2.478 0.000 -2.891) 3.808 5.204 ( -0.386 0.000 4.132) 4.150 5.339 ( -6.936 0.000 7.153) 9.964 5.433 ( 1.884 0.000 -3.580) 4.046 5.468 ( -2.571 0.000 2.446) 3.549 5.520 ( -3.433 0.000 2.285) 4.124 5.933 ( 1.093 0.000 -7.851) 7.927 8.255 ( -0.497 0.000 3.300) 3.338 8.486 ( -0.136 0.000 -3.103) 3.106 8.599 ( -0.667 0.000 0.465) 0.813 8.650 ( -1.940 0.000 0.250) 1.956 8.964 ( -11.464 0.000 7.653) 13.784 9.257 ( 1.082 0.000 0.929) 1.427 9.670 ( -2.159 0.000 4.460) 4.955 10.547 ( 18.599 0.000 -18.154) 25.990 11.212 ( -0.250 0.000 7.213) 7.218 11.482 ( -7.018 0.000 1.141) 7.110 11.639 ( 3.834 0.000 5.403) 6.625 12.215 ( 1.108 0.000 -8.112) 8.187 ======================= Grid point 93 (43/88) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 11.014 0.000 10.340) 15.107 1.164 ( 10.802 0.000 10.068) 14.767 1.279 ( -1.341 0.000 0.336) 1.382 1.846 ( -0.934 0.000 1.135) 1.469 1.891 ( -11.642 0.000 18.631) 21.969 2.186 ( -4.317 0.000 -1.571) 4.593 2.224 ( 6.819 0.000 16.599) 17.945 2.290 ( 3.804 0.000 -0.736) 3.875 2.328 ( -7.206 0.000 -10.306) 12.576 2.632 ( -5.692 0.000 0.779) 5.745 2.742 ( -2.555 0.000 -6.036) 6.554 2.744 ( -4.668 0.000 3.601) 5.895 2.781 ( -1.811 0.000 -7.588) 7.801 2.883 ( 7.301 0.000 -0.014) 7.301 2.931 ( 1.313 0.000 -2.804) 3.096 2.997 ( 3.099 0.000 -2.876) 4.228 3.114 ( 6.261 0.000 5.060) 8.050 3.230 ( -2.212 0.000 2.148) 3.083 3.305 ( -7.088 0.000 3.901) 8.090 3.314 ( -1.485 0.000 2.796) 3.166 3.408 ( 4.202 0.000 1.142) 4.355 3.545 ( 2.029 0.000 1.584) 2.574 3.556 ( -2.298 0.000 2.280) 3.237 3.644 ( -4.368 0.000 -2.835) 5.207 3.735 ( -1.133 0.000 1.820) 2.144 3.873 ( -0.085 0.000 1.425) 1.428 3.904 ( -9.034 0.000 8.129) 12.152 3.971 ( 6.000 0.000 -8.091) 10.073 4.002 ( 2.148 0.000 -2.474) 3.276 4.062 ( 4.029 0.000 -0.801) 4.108 4.197 ( 5.578 0.000 -3.930) 6.823 4.226 ( -3.217 0.000 -1.622) 3.602 4.364 ( -0.545 0.000 -5.696) 5.722 4.424 ( 4.885 0.000 1.520) 5.115 4.496 ( 0.048 0.000 -3.870) 3.871 4.569 ( -5.515 0.000 -3.343) 6.449 4.664 ( 2.087 0.000 -1.359) 2.490 4.701 ( 6.322 0.000 0.260) 6.327 4.731 ( 3.266 0.000 -4.524) 5.579 4.815 ( -2.829 0.000 1.080) 3.029 4.909 ( 2.322 0.000 -1.927) 3.017 4.971 ( 0.668 0.000 -4.040) 4.095 5.175 ( -4.212 0.000 8.909) 9.855 5.247 ( -4.095 0.000 6.254) 7.475 5.425 ( -2.650 0.000 2.477) 3.627 5.458 ( 2.029 0.000 -3.609) 4.140 5.521 ( 2.160 0.000 0.329) 2.185 5.928 ( 1.079 0.000 -8.065) 8.137 8.258 ( -0.427 0.000 3.553) 3.579 8.489 ( 1.327 0.000 -0.944) 1.628 8.587 ( -0.672 0.000 0.556) 0.872 8.624 ( -0.716 0.000 0.861) 1.120 8.878 ( -1.898 0.000 6.757) 7.018 9.245 ( -2.116 0.000 -0.425) 2.159 9.672 ( 0.528 0.000 5.516) 5.541 10.725 ( 7.338 0.000 -21.710) 22.916 11.224 ( -0.850 0.000 6.439) 6.495 11.362 ( -5.156 0.000 0.974) 5.247 11.700 ( 0.372 0.000 7.687) 7.696 12.222 ( 2.120 0.000 -7.461) 7.756 ======================= Grid point 94 (44/88) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 1.156 0.000 9.497) 9.567 1.347 ( 5.416 0.000 -0.915) 5.493 1.349 ( 2.128 0.000 4.001) 4.532 1.711 ( -7.509 0.000 10.170) 12.641 1.721 ( -8.208 0.000 16.984) 18.863 2.120 ( -8.294 0.000 -9.205) 12.390 2.273 ( 8.461 0.000 -7.593) 11.369 2.335 ( 4.316 0.000 -7.153) 8.354 2.435 ( -1.399 0.000 20.578) 20.626 2.547 ( -2.443 0.000 -1.874) 3.079 2.563 ( -7.549 0.000 6.584) 10.017 2.699 ( 0.443 0.000 -6.974) 6.988 2.726 ( -3.169 0.000 -4.495) 5.500 2.920 ( -0.415 0.000 -1.494) 1.551 2.969 ( -0.669 0.000 6.290) 6.326 3.068 ( 6.488 0.000 -4.072) 7.660 3.242 ( 0.944 0.000 -0.347) 1.006 3.253 ( 4.943 0.000 5.460) 7.365 3.264 ( 1.494 0.000 2.247) 2.698 3.273 ( -3.131 0.000 3.166) 4.453 3.463 ( -1.665 0.000 4.213) 4.530 3.513 ( -4.415 0.000 3.512) 5.642 3.549 ( 2.810 0.000 3.521) 4.504 3.675 ( 7.431 0.000 -3.748) 8.323 3.697 ( -1.813 0.000 0.184) 1.822 3.828 ( -1.930 0.000 8.421) 8.640 3.874 ( -0.018 0.000 -2.901) 2.901 4.017 ( -2.620 0.000 -5.297) 5.909 4.021 ( 1.420 0.000 -7.119) 7.259 4.127 ( -2.050 0.000 4.274) 4.740 4.143 ( 4.188 0.000 0.117) 4.190 4.283 ( 2.351 0.000 -3.688) 4.373 4.317 ( -0.926 0.000 -7.351) 7.409 4.449 ( -4.518 0.000 -2.325) 5.081 4.512 ( 3.723 0.000 -1.061) 3.871 4.533 ( 3.833 0.000 -4.092) 5.606 4.678 ( 0.094 0.000 -2.549) 2.550 4.694 ( -3.713 0.000 -0.867) 3.813 4.752 ( -4.024 0.000 2.254) 4.613 4.794 ( 0.050 0.000 -0.103) 0.115 4.937 ( 1.224 0.000 -1.677) 2.076 4.966 ( 1.059 0.000 -7.260) 7.336 5.160 ( -0.331 0.000 7.566) 7.574 5.206 ( -2.195 0.000 7.607) 7.918 5.390 ( -1.634 0.000 1.430) 2.171 5.486 ( 1.991 0.000 -3.042) 3.636 5.585 ( 4.491 0.000 -1.114) 4.627 5.925 ( 1.380 0.000 -8.220) 8.335 8.260 ( -0.575 0.000 3.650) 3.695 8.528 ( 2.936 0.000 -1.960) 3.530 8.581 ( -0.123 0.000 0.657) 0.668 8.625 ( 0.522 0.000 0.193) 0.557 8.911 ( 3.154 0.000 8.768) 9.318 9.195 ( -2.110 0.000 -3.280) 3.900 9.710 ( 0.770 0.000 8.486) 8.521 10.682 ( -3.869 0.000 -25.579) 25.870 11.219 ( -1.653 0.000 5.551) 5.792 11.318 ( -0.450 0.000 3.929) 3.955 11.712 ( -1.492 0.000 7.988) 8.126 12.242 ( 2.229 0.000 -6.756) 7.114 ======================= Grid point 95 (45/88) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -5.217 0.000 16.326) 17.139 1.202 ( -14.442 0.000 8.513) 16.764 1.292 ( -5.846 0.000 -0.242) 5.851 1.710 ( -2.319 0.000 1.007) 2.528 1.812 ( 10.128 0.000 11.455) 15.291 2.015 ( 4.242 0.000 -5.583) 7.012 2.133 ( -20.957 0.000 18.736) 28.111 2.406 ( 6.400 0.000 -4.929) 8.078 2.469 ( 3.596 0.000 -0.104) 3.597 2.541 ( 2.230 0.000 -1.252) 2.558 2.596 ( 1.933 0.000 2.265) 2.977 2.662 ( -1.648 0.000 -4.144) 4.459 2.701 ( 1.065 0.000 -6.557) 6.643 2.928 ( -3.460 0.000 2.718) 4.400 2.967 ( 6.097 0.000 -0.966) 6.173 3.178 ( 4.547 0.000 0.491) 4.574 3.193 ( -5.406 0.000 -2.003) 5.765 3.233 ( 0.755 0.000 -1.449) 1.634 3.302 ( -0.368 0.000 5.216) 5.229 3.312 ( -2.168 0.000 6.370) 6.729 3.489 ( 1.126 0.000 5.224) 5.344 3.489 ( 2.972 0.000 5.122) 5.922 3.586 ( -0.554 0.000 0.115) 0.566 3.712 ( 1.870 0.000 1.371) 2.319 3.770 ( -0.262 0.000 -0.008) 0.262 3.854 ( -0.270 0.000 -11.140) 11.143 3.867 ( 3.742 0.000 5.919) 7.003 3.898 ( -1.619 0.000 -5.609) 5.838 3.997 ( -1.043 0.000 -3.291) 3.453 4.165 ( 1.826 0.000 2.356) 2.981 4.193 ( 0.681 0.000 -1.729) 1.858 4.269 ( -2.710 0.000 -3.018) 4.056 4.318 ( 3.461 0.000 -1.682) 3.848 4.376 ( -2.519 0.000 -0.969) 2.699 4.542 ( -3.650 0.000 -2.831) 4.619 4.578 ( 1.460 0.000 -3.890) 4.154 4.634 ( 1.457 0.000 -0.089) 1.459 4.646 ( -1.714 0.000 -3.460) 3.861 4.709 ( -1.083 0.000 1.774) 2.078 4.719 ( -7.101 0.000 1.653) 7.290 4.945 ( 0.219 0.000 -1.351) 1.369 4.957 ( -0.272 0.000 -4.773) 4.780 5.179 ( -0.009 0.000 4.446) 4.446 5.236 ( 2.422 0.000 7.661) 8.035 5.376 ( -0.029 0.000 -0.280) 0.282 5.509 ( 1.227 0.000 -1.910) 2.271 5.672 ( 4.833 0.000 -1.590) 5.088 5.927 ( 1.626 0.000 -8.127) 8.288 8.259 ( -0.680 0.000 3.532) 3.597 8.561 ( 1.112 0.000 -4.697) 4.827 8.587 ( 0.522 0.000 0.712) 0.883 8.643 ( 1.363 0.000 -0.452) 1.436 9.086 ( 13.088 0.000 12.028) 17.776 9.159 ( -0.194 0.000 -4.711) 4.715 9.744 ( -0.600 0.000 10.277) 10.294 10.423 ( -14.993 0.000 -26.533) 30.476 11.202 ( -1.890 0.000 5.374) 5.697 11.349 ( 1.519 0.000 6.170) 6.355 11.704 ( -1.587 0.000 6.019) 6.225 12.256 ( 1.383 0.000 -6.672) 6.813 ======================= Grid point 96 (46/88) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -17.121 0.000 15.441) 23.055 0.983 ( -11.670 0.000 14.632) 18.716 1.336 ( 5.093 0.000 5.733) 7.669 1.619 ( -2.936 0.000 -5.647) 6.364 1.831 ( -17.599 0.000 30.448) 35.168 2.065 ( 11.987 0.000 5.283) 13.100 2.187 ( 11.685 0.000 -3.277) 12.136 2.455 ( -3.494 0.000 -0.724) 3.568 2.490 ( 4.929 0.000 -6.562) 8.207 2.573 ( -0.814 0.000 4.226) 4.304 2.601 ( -4.078 0.000 1.759) 4.441 2.690 ( 1.660 0.000 -3.501) 3.874 2.701 ( 8.060 0.000 -7.447) 10.974 2.907 ( -0.001 0.000 -3.135) 3.135 3.078 ( -2.476 0.000 -1.074) 2.699 3.126 ( 7.519 0.000 0.366) 7.528 3.182 ( -3.324 0.000 -1.779) 3.770 3.217 ( -8.442 0.000 8.911) 12.275 3.290 ( -1.310 0.000 4.398) 4.589 3.326 ( 6.583 0.000 -0.491) 6.601 3.519 ( 0.465 0.000 3.465) 3.496 3.527 ( -3.914 0.000 -1.724) 4.277 3.572 ( 0.897 0.000 -1.394) 1.658 3.682 ( -4.154 0.000 -6.204) 7.467 3.756 ( 2.795 0.000 5.169) 5.876 3.787 ( -0.704 0.000 -7.894) 7.925 3.964 ( 0.078 0.000 -2.088) 2.090 3.966 ( 5.551 0.000 -5.669) 7.935 4.000 ( 5.000 0.000 3.187) 5.929 4.162 ( -2.210 0.000 -1.019) 2.434 4.169 ( -5.214 0.000 2.843) 5.939 4.203 ( 0.586 0.000 -2.801) 2.862 4.334 ( -3.946 0.000 -0.204) 3.951 4.412 ( 5.304 0.000 2.064) 5.692 4.430 ( -4.252 0.000 1.879) 4.648 4.525 ( -9.866 0.000 2.649) 10.215 4.539 ( -2.763 0.000 -5.615) 6.258 4.657 ( 3.002 0.000 -0.386) 3.027 4.691 ( -1.450 0.000 -0.752) 1.634 4.756 ( 7.101 0.000 -2.132) 7.414 4.926 ( -1.961 0.000 -1.856) 2.700 4.939 ( -0.376 0.000 -1.601) 1.645 5.186 ( -0.369 0.000 3.087) 3.109 5.317 ( 3.129 0.000 6.927) 7.601 5.386 ( 1.307 0.000 -1.871) 2.282 5.516 ( -0.137 0.000 -0.341) 0.367 5.726 ( 0.451 0.000 -2.594) 2.633 5.932 ( 1.584 0.000 -7.924) 8.081 8.258 ( -0.655 0.000 3.271) 3.336 8.543 ( -0.942 0.000 -4.819) 4.911 8.600 ( 0.481 0.000 0.730) 0.874 8.666 ( 1.258 0.000 -1.897) 2.276 9.163 ( 2.192 0.000 -3.991) 4.553 9.489 ( 24.462 0.000 4.656) 24.902 9.747 ( -2.542 0.000 9.754) 10.080 9.961 ( -24.276 0.000 -16.461) 29.330 11.189 ( -1.281 0.000 6.083) 6.216 11.410 ( 2.662 0.000 9.099) 9.480 11.683 ( -2.283 0.000 1.484) 2.723 12.250 ( 0.402 0.000 -7.260) 7.271 ======================= Grid point 97 (47/88) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.710 7.335 15.800) 17.434 0.951 ( -6.870 9.639 17.564) 21.181 1.530 ( 2.367 9.496 -2.477) 10.095 1.660 ( 1.598 5.530 -3.204) 6.588 1.890 ( -4.868 14.667 29.846) 33.609 2.242 ( 4.153 -0.931 2.527) 4.950 2.308 ( -4.025 -4.214 3.295) 6.694 2.360 ( 0.667 -2.050 -5.569) 5.972 2.427 ( 4.265 -5.890 0.285) 7.278 2.452 ( 2.980 -7.395 -3.797) 8.831 2.610 ( -0.809 -2.909 -1.173) 3.239 2.729 ( 4.388 -1.422 1.154) 4.755 2.777 ( -6.610 -3.016 0.574) 7.288 2.878 ( 6.518 2.172 -6.421) 9.404 3.002 ( -3.228 -0.036 -4.169) 5.272 3.051 ( -6.366 0.291 2.079) 6.704 3.127 ( -2.215 -0.621 -2.537) 3.424 3.196 ( 0.736 -4.960 1.003) 5.114 3.327 ( 0.739 -4.652 0.642) 4.754 3.371 ( 3.261 0.116 0.873) 3.378 3.457 ( -2.761 -0.003 3.389) 4.371 3.494 ( -0.491 -0.477 -4.865) 4.913 3.594 ( -0.969 6.160 -0.952) 6.308 3.694 ( 6.057 -1.665 -3.963) 7.428 3.745 ( 0.972 -1.895 0.351) 2.159 3.796 ( -0.658 -1.244 -0.440) 1.475 3.895 ( -1.876 0.238 -2.635) 3.243 4.033 ( 0.043 1.657 -0.509) 1.734 4.038 ( -3.865 -1.291 0.993) 4.194 4.105 ( -0.920 3.859 -2.753) 4.829 4.173 ( 1.786 1.041 0.612) 2.156 4.258 ( -3.117 -1.314 3.276) 4.709 4.282 ( 1.068 3.990 0.718) 4.192 4.430 ( -1.651 4.805 3.175) 5.991 4.472 ( 0.388 0.413 2.987) 3.040 4.530 ( 1.435 2.197 -0.494) 2.670 4.549 ( 2.838 3.953 -1.569) 5.113 4.673 ( 0.176 2.956 -1.830) 3.481 4.727 ( 3.913 -1.546 -1.363) 4.423 4.862 ( 5.262 -1.623 -1.160) 5.628 4.866 ( -3.379 2.378 -2.789) 4.985 4.937 ( -1.093 2.045 -3.103) 3.873 5.176 ( -0.155 -1.490 2.664) 3.056 5.333 ( -0.592 -3.801 3.805) 5.411 5.379 ( -1.369 -5.831 5.849) 8.372 5.465 ( -0.369 -0.011 -1.774) 1.812 5.646 ( -4.236 -0.280 -3.305) 5.380 5.927 ( 1.702 -1.521 -7.653) 7.986 8.213 ( -0.481 -3.284 2.480) 4.143 8.477 ( -0.330 -3.219 -5.081) 6.024 8.607 ( -0.348 0.162 0.433) 0.579 8.666 ( 0.284 -0.732 -1.474) 1.670 9.208 ( -8.939 -2.075 2.622) 9.544 9.239 ( -4.984 -1.001 -0.998) 5.180 9.808 ( -5.361 4.279 -0.703) 6.895 10.080 ( 23.964 -4.675 -8.542) 25.867 11.231 ( -1.967 4.708 10.016) 11.241 11.568 ( -1.359 3.613 11.095) 11.748 11.661 ( 2.046 5.453 -3.718) 6.910 12.240 ( -1.363 0.374 -7.570) 7.701 ======================= Grid point 98 (48/88) ======================= q-point: ( 0.17 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 2.669 11.806 12.809) 17.623 1.012 ( 7.278 6.212 14.878) 17.689 1.493 ( -4.857 12.465 0.136) 13.378 1.740 ( 7.242 1.491 -3.760) 8.295 1.990 ( 3.603 10.558 25.876) 28.179 2.172 ( -9.965 -5.063 6.639) 13.000 2.271 ( -0.184 0.119 -1.240) 1.259 2.300 ( -4.481 -1.782 0.112) 4.824 2.467 ( -4.402 -3.860 -2.770) 6.477 2.534 ( 2.618 -8.407 0.097) 8.805 2.581 ( 4.100 -5.290 -4.224) 7.914 2.748 ( 2.879 -2.769 -0.441) 4.019 2.853 ( 5.082 -0.925 -3.593) 6.292 2.865 ( -1.570 -1.485 -5.260) 5.687 2.947 ( -2.824 0.754 1.282) 3.192 2.962 ( -2.106 4.801 -4.296) 6.778 3.097 ( 0.665 3.486 -2.629) 4.417 3.197 ( -0.182 -6.230 2.533) 6.728 3.334 ( -0.360 -2.158 0.604) 2.270 3.354 ( -1.951 -0.893 2.935) 3.636 3.443 ( -2.155 0.568 3.734) 4.348 3.513 ( 0.085 -2.442 -2.459) 3.466 3.596 ( 0.465 4.874 1.882) 5.245 3.732 ( 0.434 -2.126 0.193) 2.178 3.743 ( -1.946 1.773 -1.835) 3.209 3.808 ( 0.373 -3.649 -5.135) 6.310 3.873 ( 1.742 1.749 1.808) 3.060 3.974 ( -1.598 -0.505 -0.305) 1.703 4.006 ( 0.237 -0.365 0.761) 0.877 4.112 ( -7.812 2.811 3.849) 9.151 4.150 ( 3.173 3.629 -4.766) 6.778 4.242 ( 2.006 0.185 -0.902) 2.208 4.329 ( 3.333 -1.057 3.191) 4.734 4.421 ( -3.998 -0.689 -2.325) 4.676 4.505 ( 5.648 1.415 0.434) 5.839 4.564 ( 2.774 3.777 -3.724) 5.986 4.642 ( 4.769 3.466 -0.503) 5.917 4.682 ( 1.716 3.289 -0.859) 3.808 4.773 ( -4.689 2.175 -2.580) 5.777 4.797 ( 2.875 -2.183 0.046) 3.610 4.908 ( -0.436 1.900 -2.633) 3.276 4.949 ( 3.829 0.164 -2.619) 4.642 5.181 ( -1.088 -2.246 3.761) 4.513 5.273 ( -6.069 -5.866 6.764) 10.817 5.388 ( 0.179 -4.353 4.892) 6.551 5.457 ( 0.240 0.984 -2.819) 2.996 5.558 ( -3.279 1.983 -1.669) 4.180 5.930 ( 1.256 -0.912 -7.747) 7.901 8.212 ( -0.442 -3.209 2.495) 4.089 8.464 ( 0.599 -2.531 -4.302) 5.027 8.599 ( -0.544 0.093 0.317) 0.637 8.656 ( -0.996 0.247 -0.260) 1.058 8.975 ( -9.492 1.882 6.669) 11.752 9.259 ( 0.669 0.201 -0.039) 0.699 9.736 ( -2.438 4.898 0.277) 5.479 10.446 ( 17.409 -9.976 -15.886) 25.592 11.216 ( -2.783 2.135 8.880) 9.548 11.532 ( -4.551 3.810 7.247) 9.367 11.707 ( 2.082 6.589 1.130) 7.001 12.211 ( 1.206 -0.599 -7.476) 7.597 ======================= Grid point 99 (49/88) ======================= q-point: ( 0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 8.410 5.162 10.601) 14.483 1.230 ( 10.410 6.858 9.207) 15.498 1.397 ( -5.186 9.728 0.976) 11.067 1.820 ( -1.454 -0.941 2.322) 2.897 1.944 ( -12.774 3.562 14.265) 19.477 2.132 ( 0.863 -3.787 -1.370) 4.118 2.213 ( 1.576 -2.562 -0.682) 3.084 2.356 ( 0.225 3.342 -5.173) 6.163 2.363 ( 1.942 7.571 8.059) 11.226 2.519 ( -3.154 -9.333 -0.149) 9.853 2.649 ( -5.460 -5.521 -4.363) 8.907 2.696 ( 4.920 -6.314 -5.315) 9.609 2.844 ( -5.665 2.723 -1.077) 6.377 2.893 ( 1.793 -2.738 -1.726) 3.700 2.936 ( 3.117 1.521 -2.097) 4.053 3.026 ( 6.556 3.884 3.939) 8.578 3.113 ( 0.062 2.215 0.554) 2.284 3.220 ( 1.637 -1.775 3.180) 3.993 3.303 ( -1.932 0.005 1.440) 2.409 3.360 ( -1.469 0.442 2.208) 2.688 3.408 ( 0.635 2.114 3.097) 3.803 3.503 ( 1.506 -2.780 1.428) 3.470 3.596 ( -3.414 3.223 4.605) 6.576 3.659 ( -3.770 1.784 -2.023) 4.635 3.708 ( -3.611 -1.513 1.525) 4.201 3.832 ( 3.919 -5.698 -3.871) 7.925 3.913 ( -3.591 -0.028 3.286) 4.868 3.946 ( -0.574 1.311 0.626) 1.562 3.994 ( 1.261 0.126 -2.092) 2.446 4.055 ( 2.620 -1.291 0.563) 2.975 4.205 ( -0.585 -0.674 -1.976) 2.168 4.275 ( 4.219 3.767 -3.811) 6.820 4.323 ( -4.058 -4.048 -1.352) 5.889 4.410 ( 3.140 1.999 1.700) 4.092 4.548 ( -0.955 2.668 -4.519) 5.334 4.619 ( 3.220 -1.505 -3.606) 5.063 4.654 ( -2.589 4.876 -4.188) 6.929 4.704 ( 1.343 -0.797 2.070) 2.593 4.754 ( 2.257 0.579 -0.764) 2.452 4.819 ( 0.253 1.314 -2.374) 2.725 4.923 ( 2.474 1.935 -1.889) 3.665 4.997 ( 2.510 2.406 -3.676) 5.059 5.134 ( -4.593 -3.975 8.402) 10.368 5.207 ( -3.353 -3.447 5.658) 7.425 5.415 ( 1.571 -2.112 1.226) 2.904 5.442 ( -1.447 0.131 -0.011) 1.453 5.536 ( 1.807 1.331 -3.307) 3.997 5.925 ( 0.793 -0.756 -7.751) 7.828 8.212 ( -0.331 -3.341 2.513) 4.193 8.473 ( 1.676 -2.322 -3.533) 4.548 8.593 ( -0.209 0.535 0.337) 0.666 8.636 ( -0.890 1.025 0.590) 1.480 8.898 ( -1.806 2.497 6.659) 7.338 9.249 ( -1.438 -0.022 -0.743) 1.619 9.714 ( -0.517 3.608 1.864) 4.094 10.616 ( 6.779 -11.272 -20.870) 24.669 11.190 ( -2.620 0.565 9.031) 9.421 11.479 ( -2.738 7.406 5.698) 9.737 11.724 ( -1.413 3.713 5.809) 7.038 12.234 ( 3.439 0.660 -7.834) 8.581 ======================= Grid point 100 (50/88) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -1.420 3.926 8.879) 9.811 1.311 ( -1.695 -3.182 5.699) 6.744 1.408 ( 5.403 8.877 2.267) 10.637 1.758 ( -9.978 4.073 14.047) 17.705 1.765 ( -0.757 4.751 7.720) 9.096 2.121 ( -6.328 0.003 -7.577) 9.871 2.238 ( 7.316 -2.439 -7.845) 11.001 2.355 ( 4.275 0.591 -8.517) 9.548 2.436 ( -5.008 -6.621 1.244) 8.394 2.489 ( 2.891 -1.346 4.959) 5.896 2.553 ( -2.965 -1.473 2.027) 3.882 2.717 ( -7.065 5.247 6.575) 10.985 2.750 ( 0.069 -0.247 -5.105) 5.112 2.911 ( 1.947 1.186 0.624) 2.363 3.013 ( 3.514 -1.035 -1.818) 4.089 3.081 ( -1.937 1.131 0.436) 2.285 3.130 ( 4.144 1.317 5.281) 6.841 3.236 ( -2.565 -2.670 1.852) 4.140 3.286 ( 0.144 1.325 0.736) 1.523 3.387 ( 4.421 2.746 4.198) 6.686 3.463 ( -1.812 2.312 3.855) 4.847 3.505 ( -2.110 -0.385 3.274) 3.914 3.570 ( 4.496 -2.841 2.489) 5.872 3.583 ( -3.932 -1.026 -0.817) 4.145 3.713 ( 2.998 -0.708 0.323) 3.098 3.803 ( -3.314 0.407 3.600) 4.910 3.919 ( 3.031 -0.433 -0.989) 3.217 3.960 ( -0.459 -2.862 -6.280) 6.917 4.044 ( 3.652 -1.049 -1.159) 3.972 4.091 ( 1.713 -1.903 0.155) 2.565 4.142 ( -3.566 1.296 1.240) 3.992 4.265 ( -1.473 -2.600 -0.413) 3.016 4.339 ( 2.864 2.943 -5.823) 7.125 4.457 ( -3.722 0.294 -3.610) 5.194 4.489 ( 2.561 1.085 0.122) 2.784 4.600 ( -1.143 2.530 -4.764) 5.514 4.661 ( -0.115 -1.684 0.140) 1.694 4.683 ( -2.385 -1.562 1.569) 3.254 4.775 ( -1.453 2.629 -2.815) 4.117 4.819 ( 0.959 1.801 -0.624) 2.134 4.955 ( 0.761 1.710 -0.571) 1.957 4.998 ( -0.685 2.611 -5.670) 6.280 5.131 ( 1.587 -2.131 6.184) 6.731 5.175 ( -1.434 -2.454 6.521) 7.113 5.409 ( -1.507 1.240 0.648) 2.057 5.453 ( 1.819 -2.742 -1.182) 3.496 5.584 ( 4.018 0.147 -3.408) 5.271 5.914 ( 0.847 -1.249 -7.698) 7.844 8.214 ( -0.380 -3.517 2.546) 4.359 8.500 ( 2.201 -3.241 -4.313) 5.827 8.590 ( -0.142 0.922 0.857) 1.267 8.634 ( 0.483 0.741 -0.089) 0.889 8.933 ( 3.171 2.482 8.218) 9.152 9.214 ( -1.219 1.275 -3.255) 3.702 9.719 ( -0.309 0.863 4.940) 5.024 10.569 ( -3.760 -11.495 -24.287) 27.131 11.188 ( -0.917 1.568 10.408) 10.565 11.472 ( 0.329 9.812 3.608) 10.460 11.699 ( -3.318 0.959 8.611) 9.277 12.276 ( 3.316 2.164 -7.772) 8.723 ======================= Grid point 101 (51/88) ======================= q-point: (-0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -12.764 -5.080 11.869) 18.155 1.274 ( -9.739 5.567 13.976) 17.922 1.458 ( 0.755 12.604 -1.856) 12.763 1.716 ( -0.672 2.234 5.387) 5.871 1.862 ( 6.943 3.897 5.045) 9.425 2.041 ( 4.214 2.049 -4.203) 6.295 2.222 ( -13.031 3.224 7.333) 15.296 2.333 ( 2.893 -5.253 -4.122) 7.277 2.482 ( -2.252 1.048 6.003) 6.496 2.491 ( 2.859 -2.963 -2.261) 4.697 2.556 ( 3.277 -4.983 -1.767) 6.220 2.652 ( -0.010 1.927 1.327) 2.340 2.719 ( -0.618 1.453 -4.184) 4.472 2.938 ( -1.847 -0.562 0.655) 2.039 3.014 ( 0.869 1.873 0.067) 2.066 3.095 ( 2.233 -2.910 -3.878) 5.338 3.197 ( -0.337 -3.121 1.126) 3.335 3.231 ( 2.310 0.373 4.486) 5.059 3.262 ( -2.435 2.524 -0.242) 3.515 3.394 ( -5.393 1.382 6.772) 8.767 3.465 ( 0.031 -2.971 5.237) 6.021 3.522 ( 2.750 1.511 -2.482) 4.000 3.565 ( 2.866 -0.995 2.746) 4.092 3.668 ( 3.804 -1.432 -0.857) 4.154 3.739 ( -1.147 -1.671 3.136) 3.734 3.806 ( 0.431 -0.032 1.129) 1.208 3.856 ( -3.054 -0.295 -9.159) 9.659 3.991 ( 3.125 2.545 -0.352) 4.045 4.092 ( 1.604 -5.875 0.319) 6.098 4.102 ( -0.735 6.161 -1.731) 6.442 4.168 ( 5.069 0.992 -0.626) 5.203 4.250 ( -1.533 -1.902 3.215) 4.037 4.330 ( -1.441 -0.945 -4.864) 5.161 4.376 ( -1.323 1.172 -1.719) 2.466 4.538 ( -2.076 -0.112 -1.831) 2.770 4.569 ( 0.931 -1.214 0.813) 1.732 4.626 ( -0.314 -1.142 1.959) 2.290 4.666 ( -2.050 1.939 -2.528) 3.789 4.720 ( -1.953 1.842 -3.038) 4.054 4.796 ( -3.651 5.039 0.986) 6.300 4.944 ( -0.376 -0.832 -2.478) 2.641 4.982 ( 0.102 3.669 -3.677) 5.196 5.163 ( 0.215 -1.425 3.853) 4.113 5.222 ( 3.110 -1.210 5.837) 6.724 5.388 ( -0.899 0.509 0.684) 1.239 5.475 ( 0.932 -2.887 -1.654) 3.455 5.655 ( 4.189 -1.398 -3.277) 5.499 5.910 ( 1.332 -1.880 -7.539) 7.883 8.214 ( -0.465 -3.580 2.561) 4.426 8.516 ( 0.960 -4.112 -5.376) 6.836 8.598 ( 0.521 0.674 0.624) 1.056 8.645 ( 0.769 0.145 -0.715) 1.060 9.083 ( 9.543 0.775 9.807) 13.706 9.196 ( 1.276 2.493 -4.288) 5.121 9.725 ( -1.194 -1.629 6.452) 6.761 10.343 ( -11.649 -8.375 -23.921) 27.893 11.209 ( -0.723 3.491 10.979) 11.544 11.501 ( 1.456 11.656 1.484) 11.840 11.667 ( -2.813 -1.950 9.261) 9.873 12.300 ( 1.761 2.825 -7.873) 8.548 ======================= Grid point 102 (52/88) ======================= q-point: (-0.17 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -9.172 -1.442 16.419) 18.862 1.093 ( -12.742 8.842 15.994) 22.279 1.479 ( 2.383 11.628 -1.089) 11.920 1.672 ( -1.956 5.866 -2.813) 6.793 1.993 ( -12.972 11.491 22.572) 28.457 2.070 ( 10.508 1.208 3.426) 11.118 2.212 ( 11.322 1.413 -2.302) 11.640 2.367 ( 1.953 -7.977 -2.471) 8.576 2.397 ( -4.609 -4.108 3.297) 6.999 2.495 ( -3.230 -5.492 -2.487) 6.840 2.635 ( 5.503 -3.012 -1.822) 6.532 2.668 ( -3.259 -0.167 -0.935) 3.394 2.747 ( 7.003 3.262 -2.339) 8.072 2.886 ( -2.887 -2.250 -1.147) 3.836 3.038 ( -0.356 -3.371 -2.576) 4.258 3.125 ( 3.280 -0.080 -2.723) 4.264 3.171 ( -1.504 -1.047 -1.518) 2.380 3.215 ( -8.129 -1.550 7.837) 11.397 3.277 ( 3.539 -3.213 0.210) 4.785 3.317 ( -0.589 3.261 2.740) 4.300 3.491 ( 0.206 -4.188 1.379) 4.414 3.537 ( -0.104 -0.391 0.643) 0.760 3.618 ( 0.247 5.841 -1.918) 6.153 3.649 ( -2.652 -2.279 -5.340) 6.383 3.754 ( -1.059 -1.713 -0.939) 2.222 3.773 ( 2.780 0.265 -0.660) 2.869 3.876 ( 3.861 -0.877 -2.266) 4.562 4.023 ( -0.305 3.103 0.064) 3.119 4.095 ( -1.615 -3.103 0.457) 3.528 4.111 ( 1.925 4.313 -2.147) 5.188 4.186 ( -2.147 -0.486 -0.361) 2.231 4.249 ( 1.675 4.350 1.440) 4.879 4.297 ( -2.669 -2.866 1.916) 4.360 4.419 ( 5.071 0.364 0.721) 5.135 4.472 ( -2.123 3.667 2.093) 4.726 4.540 ( -6.314 1.145 2.066) 6.742 4.598 ( -3.094 2.860 -3.246) 5.319 4.659 ( 1.695 -0.801 -0.216) 1.887 4.690 ( 0.736 0.604 -3.672) 3.794 4.772 ( 2.700 2.954 -0.220) 4.008 4.924 ( -1.438 0.213 -2.586) 2.967 4.964 ( -0.799 3.159 -2.677) 4.216 5.173 ( -0.277 -1.398 2.901) 3.232 5.294 ( 2.445 -2.235 5.079) 6.064 5.382 ( -0.234 -1.519 1.863) 2.415 5.477 ( -0.226 -2.568 -1.006) 2.767 5.696 ( 0.733 -2.368 -4.099) 4.790 5.917 ( 1.815 -1.992 -7.439) 7.912 8.214 ( -0.454 -3.480 2.513) 4.317 8.503 ( -0.370 -3.897 -5.427) 6.691 8.607 ( 0.201 0.484 0.569) 0.774 8.658 ( 0.929 -0.699 -1.533) 1.924 9.186 ( 2.279 2.372 -3.610) 4.883 9.357 ( 7.356 -7.802 7.150) 12.888 9.737 ( 4.835 -1.531 2.484) 5.647 10.023 ( -13.136 1.437 -15.306) 20.221 11.227 ( -1.166 5.172 10.890) 12.112 11.533 ( 1.177 10.264 4.702) 11.350 11.656 ( -0.884 -1.579 4.172) 4.548 12.287 ( -0.488 2.224 -8.053) 8.368 ======================= Grid point 103 (53/88) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 3.264 13.425 11.850) 18.202 1.221 ( -4.908 15.939 11.777) 20.417 1.717 ( 4.333 6.543 -6.214) 10.010 1.819 ( -1.821 10.080 0.856) 10.279 1.996 ( -0.205 -6.618 3.124) 7.321 2.186 ( -2.397 -4.469 1.342) 5.246 2.251 ( -2.096 -4.938 -0.453) 5.383 2.321 ( 5.870 -0.178 -0.182) 5.876 2.361 ( 3.847 -1.785 -1.752) 4.589 2.441 ( -2.929 9.862 9.597) 14.069 2.520 ( -3.395 -1.550 0.947) 3.850 2.660 ( 5.540 -5.950 -1.782) 8.323 2.729 ( -5.857 -3.546 -0.695) 6.882 2.861 ( 0.777 -1.833 3.247) 3.809 2.967 ( -0.718 -3.451 -1.396) 3.791 3.038 ( -2.623 -1.339 1.080) 3.137 3.143 ( 0.595 -0.299 -6.551) 6.585 3.149 ( 1.824 2.117 -0.870) 2.926 3.266 ( 1.404 -2.116 0.625) 2.615 3.352 ( -2.203 -1.068 1.682) 2.970 3.446 ( 0.822 -1.392 -1.636) 2.300 3.490 ( -3.803 -0.406 -1.695) 4.183 3.668 ( 5.642 -0.876 3.664) 6.784 3.680 ( -1.908 0.353 1.381) 2.382 3.718 ( -1.278 0.813 0.400) 1.567 3.779 ( 0.292 0.414 -2.858) 2.902 3.906 ( 0.127 -0.029 -0.758) 0.769 4.033 ( -2.504 0.973 -2.282) 3.525 4.062 ( 1.879 -1.849 -0.359) 2.661 4.141 ( -0.777 -0.768 -1.807) 2.112 4.181 ( 0.686 2.787 -1.241) 3.127 4.256 ( -1.257 1.046 1.313) 2.098 4.377 ( -2.580 5.924 4.736) 8.011 4.448 ( -0.795 0.243 2.597) 2.727 4.553 ( -0.164 2.696 1.569) 3.123 4.568 ( 2.862 2.243 0.516) 3.673 4.596 ( 1.973 1.672 0.973) 2.763 4.664 ( 1.001 -3.327 -2.346) 4.193 4.696 ( 2.716 -1.408 0.363) 3.081 4.845 ( -0.692 0.237 0.284) 0.784 4.935 ( 0.427 3.153 -2.020) 3.769 5.036 ( -1.311 6.008 -5.955) 8.561 5.136 ( -0.092 -2.594 2.843) 3.850 5.213 ( -4.692 -7.217 6.651) 10.878 5.303 ( 1.399 0.481 5.218) 5.424 5.489 ( 0.596 1.746 -4.249) 4.633 5.632 ( -1.214 -1.094 -6.214) 6.426 5.858 ( 2.060 -5.774 -6.445) 8.895 8.173 ( 0.329 -0.235 -1.065) 1.139 8.392 ( 0.483 -5.279 -6.092) 8.075 8.611 ( -0.429 0.134 0.065) 0.454 8.645 ( 0.470 -1.297 -1.073) 1.748 9.195 ( -8.790 1.840 3.619) 9.682 9.272 ( 0.991 2.494 -3.357) 4.298 9.813 ( 1.341 -2.542 -2.331) 3.700 9.963 ( 12.948 -6.993 -9.236) 17.374 11.374 ( -3.819 9.091 11.817) 15.390 11.617 ( -2.493 1.776 10.050) 10.506 11.810 ( 3.649 8.606 -2.574) 9.696 12.218 ( -2.605 -3.035 -5.585) 6.870 ======================= Grid point 104 (54/88) ======================= q-point: ( 0.17 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 2.026 12.648 13.247) 18.427 1.221 ( 4.025 14.542 8.020) 17.088 1.738 ( -6.513 7.081 1.085) 9.682 1.806 ( 5.826 7.586 -7.923) 12.420 2.006 ( -1.586 -8.119 3.368) 8.931 2.106 ( -4.223 -2.162 9.521) 10.637 2.192 ( -3.559 -4.698 -6.137) 8.509 2.391 ( 0.400 1.644 4.195) 4.523 2.404 ( 1.531 -4.018 -3.633) 5.629 2.468 ( 2.084 -5.414 -6.198) 8.489 2.507 ( 2.269 12.987 12.339) 18.057 2.638 ( -1.887 -5.221 -5.755) 7.996 2.793 ( 2.037 -7.700 -1.861) 8.179 2.832 ( 1.378 -0.099 3.130) 3.421 2.960 ( 0.897 -2.196 2.119) 3.181 3.002 ( -1.419 0.563 -0.965) 1.806 3.116 ( -0.714 -0.206 -3.470) 3.548 3.193 ( 2.232 4.405 -2.808) 5.680 3.293 ( 1.104 -1.608 1.768) 2.632 3.339 ( -0.101 -0.795 4.209) 4.284 3.418 ( -0.121 -2.045 -2.933) 3.577 3.480 ( -0.637 -0.599 2.192) 2.360 3.660 ( -0.102 -2.601 0.728) 2.703 3.675 ( -2.143 0.825 1.164) 2.575 3.756 ( -0.556 -0.011 2.064) 2.138 3.793 ( 2.826 0.577 -3.904) 4.854 3.912 ( 0.784 0.559 0.679) 1.179 3.987 ( -1.024 -1.114 -0.875) 1.748 4.015 ( -4.925 4.683 1.244) 6.909 4.126 ( -3.846 -3.505 5.312) 7.436 4.208 ( -0.242 1.202 -1.690) 2.088 4.259 ( 2.713 1.939 -5.692) 6.597 4.295 ( -1.816 3.311 3.127) 4.903 4.461 ( -0.289 3.354 0.779) 3.456 4.557 ( 0.871 3.002 2.448) 3.970 4.592 ( 1.127 -0.089 1.087) 1.568 4.659 ( -0.529 -3.294 -2.467) 4.149 4.699 ( 4.837 -0.481 -0.798) 4.926 4.742 ( 0.470 -2.696 0.690) 2.822 4.816 ( -0.636 0.185 -1.689) 1.814 4.960 ( 2.621 3.141 -1.724) 4.440 5.003 ( -0.067 3.744 -3.823) 5.352 5.126 ( -3.607 -3.584 4.780) 6.979 5.158 ( -1.681 -4.279 4.425) 6.381 5.354 ( 2.037 2.356 4.332) 5.335 5.477 ( -0.209 1.067 -4.491) 4.621 5.582 ( -1.553 0.549 -5.419) 5.664 5.876 ( 1.905 -4.946 -6.513) 8.397 8.174 ( 0.107 -0.239 -1.172) 1.201 8.388 ( 1.179 -5.002 -5.882) 7.810 8.603 ( -0.222 0.305 -0.092) 0.388 8.649 ( 0.089 -1.023 -0.647) 1.214 9.049 ( -6.823 5.524 4.132) 9.703 9.265 ( -0.900 0.227 -1.417) 1.694 9.803 ( -0.028 1.936 -4.325) 4.739 10.205 ( 12.822 -13.566 -10.791) 21.561 11.322 ( -5.028 8.188 11.206) 14.762 11.596 ( -3.382 2.249 11.381) 12.084 11.858 ( 1.754 8.145 -1.984) 8.564 12.183 ( 1.372 -2.513 -5.801) 6.469 ======================= Grid point 105 (55/88) ======================= q-point: ( 0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 3.254 11.619 10.341) 15.891 1.369 ( 4.642 6.844 6.584) 10.571 1.586 ( -7.297 8.929 3.067) 11.933 1.860 ( -0.006 3.285 -1.989) 3.840 1.957 ( -4.197 -3.584 6.797) 8.756 2.082 ( -0.374 -0.056 -0.290) 0.477 2.157 ( 2.193 -3.128 -1.254) 4.020 2.345 ( -4.777 -5.280 -2.174) 7.445 2.387 ( -1.129 0.101 -7.818) 7.899 2.497 ( 0.784 -2.803 -6.408) 7.038 2.525 ( -5.331 -6.280 -2.340) 8.563 2.662 ( 7.564 8.341 9.063) 14.454 2.827 ( 6.539 -1.954 -1.465) 6.980 2.853 ( -2.589 -1.034 -0.594) 2.850 2.957 ( -1.223 -0.337 2.903) 3.167 3.099 ( 4.303 -2.165 -2.993) 5.671 3.130 ( 7.551 2.540 1.625) 8.131 3.191 ( -2.011 0.579 1.381) 2.507 3.300 ( -1.563 -1.572 -0.474) 2.267 3.363 ( 2.679 1.296 4.809) 5.656 3.456 ( -2.017 0.412 3.659) 4.198 3.464 ( 3.114 2.090 2.308) 4.404 3.637 ( -1.731 -1.881 1.796) 3.124 3.681 ( 0.068 -2.602 0.153) 2.608 3.726 ( -2.314 2.358 -1.210) 3.518 3.748 ( -5.640 3.067 -0.046) 6.420 3.905 ( 0.778 -1.194 -0.283) 1.453 3.975 ( -3.200 1.146 2.025) 3.957 4.020 ( 2.666 -1.069 -0.308) 2.889 4.027 ( -3.704 2.116 5.773) 7.178 4.153 ( -3.682 -4.017 2.472) 5.984 4.288 ( 1.276 2.167 -5.126) 5.710 4.344 ( 3.332 2.335 -0.113) 4.070 4.468 ( 0.677 2.979 0.966) 3.204 4.561 ( -0.606 -0.077 -0.609) 0.862 4.598 ( -0.553 -1.806 -2.821) 3.395 4.653 ( -0.350 -4.672 2.900) 5.510 4.691 ( -3.955 -0.626 -1.894) 4.430 4.760 ( 2.954 -0.037 -1.645) 3.381 4.839 ( 1.683 -1.204 -1.796) 2.740 4.988 ( 1.493 3.979 -3.104) 5.263 5.043 ( 3.026 0.735 2.949) 4.289 5.068 ( -2.059 -0.103 1.342) 2.460 5.145 ( -1.441 -2.535 2.883) 4.100 5.388 ( 0.341 0.430 1.541) 1.636 5.456 ( -0.544 0.958 -3.739) 3.898 5.568 ( 2.026 2.141 -5.005) 5.808 5.882 ( 0.812 -3.897 -6.349) 7.494 8.171 ( 0.044 -0.429 -1.230) 1.303 8.397 ( 1.654 -5.232 -6.096) 8.202 8.604 ( 0.333 0.579 -0.106) 0.676 8.644 ( -0.279 -0.340 -0.339) 0.555 8.982 ( -1.900 5.968 5.149) 8.108 9.239 ( -1.138 -0.999 -1.012) 1.821 9.783 ( -0.959 3.382 -3.535) 4.985 10.330 ( 4.488 -16.528 -14.960) 22.741 11.279 ( -3.090 7.812 12.549) 15.102 11.573 ( -2.659 2.224 12.179) 12.663 11.859 ( -0.994 9.073 -0.441) 9.138 12.224 ( 4.429 -2.033 -7.049) 8.569 ======================= Grid point 106 (56/88) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -11.594 3.203 6.501) 13.673 1.361 ( 4.995 8.366 9.127) 13.351 1.641 ( 7.210 12.146 0.561) 14.136 1.811 ( -5.461 0.769 7.850) 9.594 1.892 ( -2.268 5.188 6.870) 8.902 2.118 ( -2.384 -0.289 -1.522) 2.844 2.181 ( 4.580 -4.114 -6.824) 9.190 2.282 ( -4.660 -4.612 -4.208) 7.791 2.300 ( 0.815 -8.085 -8.724) 11.922 2.415 ( 0.284 -0.432 -4.406) 4.436 2.543 ( 0.768 -3.958 -1.124) 4.185 2.758 ( -0.077 1.129 1.681) 2.026 2.812 ( -0.377 2.575 4.475) 5.177 2.936 ( -1.082 -2.405 -0.108) 2.640 2.998 ( 6.881 5.833 2.465) 9.351 3.092 ( -0.825 0.662 -6.681) 6.765 3.162 ( -1.297 -4.198 2.854) 5.239 3.237 ( -2.796 -1.069 1.151) 3.207 3.307 ( 5.377 7.271 5.028) 10.347 3.425 ( -4.392 -3.072 5.222) 7.483 3.447 ( 0.099 1.886 0.322) 1.916 3.491 ( 1.073 0.059 5.027) 5.140 3.579 ( -2.739 5.473 1.556) 6.315 3.640 ( 1.206 1.223 4.139) 4.481 3.701 ( -0.233 1.116 -0.342) 1.190 3.764 ( 3.047 -5.083 -2.895) 6.596 3.889 ( -0.658 1.052 2.848) 3.107 3.919 ( -1.996 -2.447 -3.636) 4.816 4.045 ( 0.513 -1.193 5.143) 5.305 4.067 ( 2.842 1.154 1.017) 3.231 4.119 ( 0.354 -2.996 2.574) 3.966 4.276 ( -1.125 1.761 -1.542) 2.597 4.371 ( -0.243 1.008 -2.314) 2.535 4.462 ( -2.276 0.848 -0.988) 2.622 4.526 ( -1.323 1.178 -1.271) 2.180 4.618 ( 0.917 -0.999 -0.609) 1.486 4.623 ( -0.606 -1.863 -0.799) 2.115 4.631 ( -2.380 -3.270 2.948) 5.005 4.806 ( 1.476 0.081 -4.839) 5.060 4.834 ( -0.884 -0.949 0.372) 1.350 4.993 ( -1.988 2.175 3.061) 4.249 5.044 ( 1.776 2.177 -1.512) 3.190 5.125 ( 1.193 0.239 0.273) 1.247 5.141 ( 2.669 0.527 0.533) 2.772 5.382 ( -1.222 -2.173 1.309) 2.815 5.444 ( 0.794 0.535 -4.502) 4.603 5.603 ( 2.851 2.186 -4.787) 5.985 5.869 ( 0.028 -3.588 -6.100) 7.077 8.168 ( 0.056 -0.624 -1.170) 1.327 8.408 ( 1.664 -5.845 -6.644) 9.004 8.608 ( -0.024 0.831 0.336) 0.897 8.642 ( 0.284 -0.076 -0.725) 0.782 9.008 ( 2.733 5.055 6.320) 8.542 9.224 ( 0.218 -0.379 -2.122) 2.167 9.745 ( -2.150 2.056 -1.302) 3.247 10.285 ( -3.212 -16.224 -17.609) 24.158 11.290 ( -0.486 7.886 13.801) 15.902 11.581 ( -0.657 1.505 11.965) 12.077 11.825 ( -2.398 10.747 -0.165) 11.012 12.282 ( 3.795 -2.029 -7.458) 8.611 ======================= Grid point 107 (57/88) ======================= q-point: (-0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -9.151 7.835 9.206) 15.162 1.417 ( -4.524 8.986 10.722) 14.703 1.695 ( -0.201 9.195 -1.183) 9.273 1.799 ( 2.108 5.488 4.991) 7.712 1.940 ( 3.970 1.888 2.687) 5.152 2.073 ( 1.837 1.477 -0.526) 2.415 2.142 ( -4.236 -6.642 -4.197) 8.926 2.231 ( 1.070 -5.198 -5.107) 7.365 2.382 ( 4.501 -4.875 -2.947) 7.259 2.456 ( 4.723 -2.029 -4.955) 7.140 2.536 ( -0.231 -4.865 0.116) 4.872 2.734 ( -1.899 1.578 4.179) 4.854 2.798 ( -6.126 10.957 9.202) 15.565 2.897 ( -2.239 -2.274 0.149) 3.195 3.006 ( -2.716 -0.933 -0.950) 3.024 3.085 ( 1.585 -0.436 -7.435) 7.615 3.157 ( -0.452 -0.107 0.748) 0.881 3.204 ( -1.047 -3.516 2.426) 4.398 3.298 ( -7.204 -4.225 0.373) 8.360 3.419 ( 1.907 7.052 0.418) 7.318 3.424 ( 0.719 1.099 3.838) 4.056 3.489 ( -1.400 -2.221 3.571) 4.432 3.627 ( 2.941 3.399 0.333) 4.507 3.695 ( 2.259 3.162 1.304) 4.099 3.715 ( 1.262 -1.114 5.489) 5.741 3.784 ( -1.684 -2.017 -0.584) 2.692 3.844 ( -1.065 -1.398 -5.726) 5.989 3.967 ( 7.029 -2.456 -2.636) 7.898 4.073 ( 0.296 -0.084 4.782) 4.792 4.113 ( 0.534 -2.736 3.590) 4.545 4.178 ( 4.049 0.165 1.359) 4.274 4.256 ( -1.143 -0.736 2.107) 2.508 4.332 ( -1.108 4.429 -5.202) 6.921 4.399 ( -2.120 0.828 -0.476) 2.326 4.524 ( -0.089 -0.824 1.337) 1.573 4.582 ( -1.386 1.362 -0.920) 2.150 4.611 ( -0.172 -0.297 1.388) 1.430 4.660 ( 0.680 -2.289 1.381) 2.758 4.746 ( -4.275 1.187 -2.080) 4.901 4.854 ( 0.956 -0.413 -0.399) 1.116 4.959 ( -1.655 3.269 0.131) 3.667 5.072 ( 1.221 3.324 -2.416) 4.287 5.139 ( 0.549 0.188 0.796) 0.985 5.198 ( 2.450 -1.214 0.144) 2.738 5.352 ( -2.938 -3.069 4.301) 6.046 5.455 ( 1.920 0.640 -5.167) 5.549 5.637 ( 2.457 0.007 -5.621) 6.134 5.851 ( 0.268 -4.266 -5.929) 7.309 8.167 ( 0.199 -0.628 -1.088) 1.272 8.413 ( 1.102 -6.175 -6.971) 9.377 8.610 ( 0.116 0.561 0.453) 0.731 8.644 ( 0.097 -0.288 -0.915) 0.964 9.123 ( 6.860 3.079 7.177) 10.395 9.234 ( 1.791 1.325 -3.843) 4.442 9.701 ( -2.201 -0.232 0.582) 2.289 10.127 ( -6.835 -12.707 -17.099) 22.373 11.335 ( 0.280 8.348 13.992) 16.295 11.615 ( -0.023 -0.130 10.969) 10.969 11.777 ( -2.137 12.529 -0.982) 12.748 12.309 ( 1.404 -2.504 -7.326) 7.869 ======================= Grid point 108 (58/88) ======================= q-point: (-0.17 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -2.819 12.273 11.205) 16.856 1.310 ( -8.391 12.822 12.228) 19.604 1.687 ( 0.782 8.001 -4.313) 9.123 1.832 ( -0.290 8.347 2.391) 8.687 1.999 ( 0.327 -7.389 0.365) 7.406 2.129 ( 6.093 0.834 -1.188) 6.263 2.200 ( 7.427 -1.548 0.802) 7.629 2.236 ( 1.706 -4.142 -2.712) 5.237 2.368 ( -3.990 -2.028 1.252) 4.648 2.512 ( -3.216 2.568 6.426) 7.631 2.538 ( 2.809 -5.624 -6.659) 9.158 2.662 ( -7.907 6.790 8.629) 13.531 2.772 ( 3.891 -1.652 2.653) 4.990 2.846 ( -3.347 -1.200 -0.575) 3.602 2.974 ( -0.063 -2.550 -2.431) 3.524 3.105 ( -0.297 -5.200 -3.980) 6.555 3.140 ( -0.643 -0.225 -1.792) 1.917 3.151 ( -3.489 -1.983 1.224) 4.196 3.235 ( 1.244 -1.452 -0.856) 2.095 3.391 ( -2.287 1.813 1.703) 3.379 3.442 ( -0.887 -0.902 1.553) 2.003 3.539 ( 3.870 2.073 4.919) 6.593 3.608 ( -3.893 -1.941 -4.628) 6.351 3.711 ( -1.012 1.574 1.428) 2.354 3.734 ( -0.346 1.527 -2.381) 2.849 3.770 ( 1.973 -0.337 -0.184) 2.010 3.872 ( 3.095 -0.646 -0.241) 3.171 4.048 ( -1.661 -3.584 0.518) 3.984 4.058 ( 1.708 -0.099 -1.450) 2.243 4.152 ( 1.861 -0.103 -1.118) 2.173 4.194 ( -2.944 0.837 -1.189) 3.284 4.251 ( 2.150 2.620 3.305) 4.734 4.355 ( 0.416 4.544 3.817) 5.949 4.413 ( 4.446 -0.830 0.537) 4.555 4.523 ( 0.434 -0.864 0.478) 1.079 4.563 ( -1.678 3.314 1.521) 4.014 4.619 ( -0.369 0.268 0.828) 0.946 4.658 ( -0.011 -0.910 0.307) 0.960 4.671 ( -2.025 0.217 -1.555) 2.562 4.852 ( -0.643 2.134 0.249) 2.242 4.941 ( -0.112 2.670 -1.818) 3.232 5.071 ( -0.209 5.542 -4.626) 7.222 5.137 ( -0.809 -1.610 1.649) 2.443 5.238 ( 1.176 -3.829 2.034) 4.492 5.303 ( -3.893 -3.468 7.429) 9.076 5.478 ( 1.951 1.702 -4.627) 5.303 5.654 ( 1.122 -1.787 -6.533) 6.865 5.846 ( 1.248 -5.373 -6.070) 8.201 8.169 ( 0.409 -0.429 -1.042) 1.199 8.405 ( 0.391 -5.842 -6.627) 8.843 8.614 ( 0.066 0.189 0.279) 0.343 8.642 ( 0.147 -0.877 -1.072) 1.393 9.246 ( 2.687 3.154 -1.038) 4.271 9.273 ( 1.634 -0.980 2.636) 3.253 9.700 ( 4.271 -1.718 -0.272) 4.611 9.959 ( -4.733 -6.921 -12.981) 15.453 11.377 ( -0.829 9.063 13.401) 16.199 11.631 ( -2.029 -0.009 9.861) 10.068 11.762 ( 1.519 11.520 -1.989) 11.789 12.284 ( -1.652 -3.058 -6.680) 7.530 ======================= Grid point 109 (59/88) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 2.135 16.234 5.625) 17.313 1.502 ( -2.720 10.236 6.451) 12.401 1.701 ( 1.000 -8.712 3.154) 9.320 1.755 ( -0.199 -8.528 4.568) 9.677 2.058 ( -1.070 7.342 -1.393) 7.549 2.152 ( -0.570 -0.752 -0.206) 0.965 2.228 ( -0.710 3.009 -6.789) 7.459 2.273 ( 3.387 -1.693 -0.677) 3.847 2.294 ( 2.601 -1.759 -7.629) 8.250 2.425 ( 2.233 -9.631 -4.240) 10.758 2.534 ( 2.937 1.894 -2.966) 4.584 2.630 ( -2.731 -5.615 -3.794) 7.306 2.774 ( -4.701 8.743 8.242) 12.902 2.856 ( -0.403 -1.530 4.056) 4.353 2.972 ( -4.079 9.240 7.105) 12.349 3.034 ( -0.042 1.633 -0.445) 1.693 3.103 ( 1.445 -2.820 -1.782) 3.636 3.200 ( -0.214 -2.521 2.726) 3.719 3.223 ( 2.226 -0.703 1.826) 2.964 3.280 ( 2.108 -5.565 3.639) 6.976 3.443 ( -2.597 0.655 -3.434) 4.355 3.461 ( -1.601 -1.530 -2.807) 3.576 3.653 ( -2.903 -0.856 4.865) 5.729 3.656 ( 0.601 -0.618 6.408) 6.466 3.756 ( -1.427 2.224 0.801) 2.761 3.794 ( -0.842 -0.716 -1.259) 1.675 3.905 ( 1.685 1.388 -0.006) 2.183 3.967 ( 1.689 -4.572 0.618) 4.913 4.081 ( -0.742 3.566 -4.309) 5.642 4.153 ( 0.178 -2.872 -6.121) 6.763 4.214 ( 0.068 3.752 -2.558) 4.541 4.274 ( 1.311 -0.860 -4.671) 4.927 4.438 ( -2.175 1.814 5.088) 5.823 4.487 ( 2.263 -0.327 6.247) 6.652 4.535 ( 3.365 0.280 -0.684) 3.445 4.587 ( 1.948 -3.252 -1.467) 4.065 4.628 ( -2.122 3.379 2.566) 4.744 4.654 ( 0.017 1.149 1.249) 1.697 4.713 ( -1.173 4.316 3.595) 5.738 4.816 ( -2.240 -4.095 1.561) 4.922 4.993 ( -0.359 2.838 1.183) 3.095 5.055 ( -1.834 -3.004 -1.335) 3.764 5.087 ( -1.040 -0.982 3.274) 3.573 5.115 ( -2.316 -2.894 3.760) 5.280 5.426 ( 3.502 9.329 -1.424) 10.066 5.517 ( 1.189 0.275 -6.612) 6.724 5.616 ( -0.205 0.330 -6.755) 6.766 5.712 ( 1.314 -8.484 -4.499) 9.693 8.205 ( 0.908 3.252 -4.795) 5.865 8.288 ( 0.922 -5.109 -6.404) 8.244 8.613 ( -0.191 0.199 -0.364) 0.457 8.623 ( 0.179 -0.883 -0.744) 1.168 9.257 ( -4.377 3.674 0.966) 5.795 9.301 ( -1.351 -0.267 -2.253) 2.640 9.775 ( 5.170 -0.038 -3.595) 6.297 9.833 ( 7.192 -5.665 -7.140) 11.610 11.538 ( -3.412 6.979 11.483) 13.863 11.623 ( -2.330 -1.707 10.839) 11.217 11.974 ( 1.270 8.283 -2.960) 8.888 12.122 ( -1.457 -6.662 -3.651) 7.735 ======================= Grid point 110 (60/88) ======================= q-point: ( 0.17 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 3.709 13.063 6.555) 15.078 1.481 ( -1.269 10.435 4.475) 11.425 1.722 ( -0.296 -5.605 3.879) 6.822 1.783 ( 0.806 -11.383 6.460) 13.113 1.954 ( -7.502 5.454 -1.681) 9.426 2.091 ( -5.492 -6.949 -3.858) 9.661 2.218 ( 2.546 12.373 -3.193) 13.030 2.330 ( 3.472 -1.302 -5.239) 6.418 2.353 ( 4.441 -2.756 -4.092) 6.638 2.420 ( -0.976 -3.561 -5.425) 6.563 2.576 ( -1.894 -1.419 -6.271) 6.703 2.615 ( 4.509 -7.555 -1.734) 8.968 2.754 ( -0.170 6.537 6.277) 9.064 2.860 ( -0.806 -5.697 3.283) 6.624 2.928 ( -1.046 10.557 7.647) 13.077 3.028 ( 1.066 0.668 -0.878) 1.534 3.121 ( 0.327 1.047 0.055) 1.098 3.214 ( 0.745 -5.131 2.811) 5.898 3.281 ( 2.523 1.545 1.867) 3.498 3.316 ( 0.049 -1.072 0.647) 1.252 3.418 ( 2.512 1.788 -0.239) 3.093 3.465 ( 1.228 -1.805 -1.727) 2.783 3.615 ( -2.663 0.632 4.540) 5.302 3.673 ( -1.127 -2.854 3.755) 4.849 3.755 ( 0.641 0.436 2.849) 2.952 3.786 ( 1.129 -2.159 0.822) 2.571 3.897 ( -2.322 0.942 0.353) 2.530 3.948 ( -2.701 -3.084 -0.153) 4.102 4.081 ( 0.716 2.177 -1.225) 2.599 4.114 ( -3.012 0.654 -0.312) 3.098 4.215 ( 0.553 2.637 -2.743) 3.845 4.287 ( 1.837 -2.029 -8.152) 8.599 4.406 ( -2.380 6.918 4.934) 8.824 4.530 ( -1.162 -4.992 6.764) 8.486 4.550 ( -0.420 5.899 1.294) 6.054 4.605 ( -0.561 -0.736 -1.224) 1.534 4.621 ( -2.187 -0.401 1.759) 2.835 4.651 ( 2.548 -2.502 -2.248) 4.220 4.711 ( -0.256 0.554 1.992) 2.083 4.774 ( -1.648 -4.083 1.236) 4.574 5.014 ( 2.181 1.637 1.193) 2.976 5.031 ( 0.593 0.294 -1.760) 1.880 5.073 ( -1.806 -0.684 4.129) 4.559 5.104 ( -0.275 -2.362 2.675) 3.579 5.466 ( 0.173 5.763 -3.110) 6.551 5.499 ( -0.207 0.876 -7.061) 7.119 5.602 ( 1.640 3.436 -5.181) 6.429 5.742 ( 2.875 -8.494 -4.248) 9.922 8.204 ( 0.676 3.192 -4.898) 5.885 8.287 ( 1.131 -5.092 -6.457) 8.301 8.610 ( 0.115 0.511 -0.438) 0.683 8.626 ( 0.308 -1.102 -0.592) 1.288 9.167 ( -4.695 5.888 1.139) 7.617 9.250 ( -2.932 -2.359 -1.224) 3.957 9.844 ( 3.707 3.488 -5.606) 7.572 9.970 ( 7.657 -9.789 -7.026) 14.277 11.489 ( -5.080 7.973 11.650) 15.003 11.596 ( -4.067 -2.699 11.860) 12.825 12.002 ( 2.230 6.604 -2.843) 7.528 12.112 ( 1.853 -4.761 -3.949) 6.457 ======================= Grid point 111 (61/88) ======================= q-point: ( 0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.075 11.280 4.973) 12.328 1.521 ( 2.071 9.297 4.502) 10.535 1.702 ( -2.182 -1.782 3.018) 4.129 1.797 ( -1.958 -9.504 3.312) 10.254 1.856 ( -1.120 1.760 2.898) 3.571 2.003 ( -1.585 -8.435 0.019) 8.583 2.239 ( -0.846 8.341 -2.744) 8.821 2.336 ( -4.507 0.018 -5.282) 6.944 2.373 ( 2.342 0.387 -4.868) 5.416 2.425 ( 2.407 -3.735 -7.067) 8.347 2.474 ( -4.412 4.479 -5.067) 8.075 2.650 ( 0.982 -8.996 -1.234) 9.133 2.810 ( 2.860 0.936 1.149) 3.221 2.876 ( 1.721 -5.115 2.691) 6.031 2.986 ( 4.464 8.446 5.265) 10.908 3.065 ( 0.325 -1.145 -0.467) 1.278 3.166 ( 5.108 1.351 1.342) 5.452 3.199 ( -1.294 -1.057 -1.775) 2.437 3.304 ( 0.481 3.514 -1.815) 3.984 3.373 ( 5.787 -1.212 3.352) 6.797 3.457 ( -0.314 0.999 4.026) 4.160 3.511 ( 3.909 -2.926 -0.170) 4.886 3.582 ( -2.469 2.600 3.411) 4.949 3.646 ( -2.310 -1.921 2.185) 3.715 3.772 ( 0.668 2.274 1.397) 2.751 3.827 ( -4.035 3.847 0.112) 5.576 3.843 ( 1.288 -4.889 4.569) 6.814 3.914 ( -0.859 -5.539 1.903) 5.920 4.048 ( -3.151 3.496 2.932) 5.545 4.076 ( -1.654 0.908 2.459) 3.099 4.177 ( -4.567 5.770 1.528) 7.516 4.283 ( -0.640 -3.412 -2.788) 4.453 4.407 ( 1.410 3.891 0.400) 4.158 4.500 ( -1.749 -4.782 3.162) 5.994 4.534 ( -3.698 1.491 2.541) 4.728 4.578 ( -2.033 -0.559 -0.030) 2.109 4.580 ( -0.090 0.540 0.001) 0.547 4.657 ( -1.613 -3.336 -0.325) 3.719 4.747 ( 3.717 -0.110 -2.349) 4.399 4.781 ( 1.554 -3.253 -0.143) 3.608 5.039 ( 0.539 1.685 1.393) 2.252 5.055 ( -0.900 0.314 2.318) 2.506 5.092 ( 4.590 1.085 -1.595) 4.979 5.111 ( 0.590 -1.159 0.644) 1.451 5.427 ( -1.813 2.662 -4.893) 5.858 5.463 ( -1.067 -0.730 -6.823) 6.945 5.643 ( 3.157 5.985 -3.703) 7.714 5.775 ( 1.819 -6.814 -4.264) 8.242 8.200 ( 0.636 3.311 -5.110) 6.122 8.289 ( 1.275 -5.488 -6.876) 8.890 8.615 ( 0.493 0.590 -0.387) 0.860 8.630 ( 0.279 -0.899 -0.463) 1.049 9.107 ( -1.931 6.281 2.176) 6.922 9.202 ( -1.632 -3.249 -0.279) 3.646 9.864 ( 0.216 5.876 -6.211) 8.553 10.039 ( 2.089 -12.515 -9.120) 15.626 11.446 ( -3.353 8.269 13.277) 15.996 11.563 ( -3.287 -3.400 13.299) 14.115 12.028 ( 1.444 7.825 -3.132) 8.551 12.154 ( 3.554 -5.132 -5.108) 8.066 ======================= Grid point 112 (62/88) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -5.760 12.656 2.407) 14.112 1.566 ( 2.500 11.675 7.279) 13.983 1.700 ( -1.942 -11.158 1.536) 11.430 1.781 ( 2.283 -4.965 1.309) 5.619 1.903 ( 3.438 3.580 5.786) 7.623 2.038 ( 4.051 -7.215 0.800) 8.313 2.138 ( -6.887 1.646 -0.044) 7.082 2.197 ( -7.795 -3.391 -5.564) 10.160 2.390 ( 3.121 11.553 -7.256) 13.995 2.420 ( 1.787 0.598 -6.580) 6.844 2.466 ( 0.076 -1.024 -2.893) 3.070 2.669 ( 1.550 -10.913 -3.462) 11.553 2.847 ( 1.354 2.177 2.788) 3.788 2.899 ( -0.755 -2.349 2.569) 3.562 3.050 ( 0.450 0.435 1.040) 1.214 3.081 ( -0.041 -1.679 2.653) 3.140 3.155 ( -0.677 2.734 -4.220) 5.073 3.218 ( 0.410 -2.760 -3.792) 4.708 3.376 ( 2.654 6.145 0.968) 6.763 3.458 ( -1.634 3.042 6.153) 7.056 3.482 ( 3.060 -1.483 1.508) 3.720 3.535 ( -1.974 3.730 2.834) 5.083 3.575 ( 3.247 -3.740 0.340) 4.964 3.631 ( 1.844 -3.290 2.600) 4.581 3.750 ( -2.876 6.083 1.615) 6.920 3.791 ( 1.035 5.788 2.393) 6.348 3.849 ( -1.718 -4.228 -1.705) 4.872 3.904 ( -2.397 -3.062 2.895) 4.848 4.004 ( -2.296 0.785 7.484) 7.867 4.068 ( -1.505 -2.331 4.374) 5.179 4.138 ( 1.646 4.332 2.703) 5.365 4.235 ( -2.668 -4.813 1.915) 5.827 4.421 ( -0.542 3.478 0.967) 3.650 4.479 ( -2.256 -0.696 0.982) 2.557 4.527 ( 2.412 -1.692 1.628) 3.366 4.557 ( 0.898 -2.627 -0.377) 2.802 4.570 ( -1.087 0.872 -1.171) 1.821 4.621 ( -1.659 -1.356 -0.615) 2.229 4.796 ( 1.796 -0.376 -3.267) 3.747 4.806 ( 0.858 -1.254 0.808) 1.720 5.034 ( -1.260 1.753 3.458) 4.077 5.060 ( 0.010 -0.808 1.465) 1.673 5.134 ( 2.057 1.764 -2.117) 3.439 5.162 ( 3.174 -0.333 -3.399) 4.662 5.384 ( -1.063 2.280 -4.056) 4.772 5.433 ( 0.421 -1.854 -6.486) 6.759 5.674 ( 1.315 4.961 -4.056) 6.541 5.779 ( 0.041 -5.424 -4.297) 6.921 8.197 ( 0.755 3.453 -5.206) 6.293 8.291 ( 1.322 -5.898 -7.236) 9.428 8.622 ( 0.178 0.603 -0.185) 0.656 8.634 ( 0.328 -0.635 -0.616) 0.944 9.113 ( 1.731 5.298 3.182) 6.418 9.195 ( 1.005 -2.863 0.081) 3.036 9.817 ( -2.731 6.092 -5.883) 8.899 9.997 ( -2.690 -12.557 -10.639) 16.677 11.451 ( -0.923 7.820 14.324) 16.346 11.563 ( -1.458 -3.388 13.881) 14.363 12.034 ( 0.222 9.958 -3.714) 10.630 12.196 ( 2.475 -6.652 -5.710) 9.109 ======================= Grid point 113 (63/88) ======================= q-point: (-0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -3.722 16.663 2.733) 17.291 1.606 ( -2.573 7.216 6.983) 10.366 1.671 ( -0.365 -9.175 1.445) 9.295 1.810 ( -1.508 -7.265 3.886) 8.376 1.987 ( 3.478 8.346 -5.098) 10.380 2.066 ( -0.343 -1.373 6.193) 6.353 2.083 ( 0.748 -1.202 3.049) 3.362 2.148 ( 5.371 -5.714 -5.065) 9.335 2.418 ( 0.056 0.259 -6.675) 6.680 2.430 ( -2.685 -2.336 -1.373) 3.814 2.448 ( 4.887 8.674 -7.199) 12.286 2.673 ( 0.080 -9.121 -3.145) 9.649 2.871 ( -1.596 0.399 1.212) 2.044 2.896 ( 1.712 -1.093 3.095) 3.702 3.036 ( -2.490 3.098 2.201) 4.543 3.073 ( -0.480 -0.736 -0.377) 0.956 3.134 ( 0.358 0.145 -3.020) 3.045 3.197 ( -1.810 -4.957 -3.836) 6.524 3.271 ( -10.499 8.110 7.298) 15.141 3.391 ( -6.433 -3.924 6.131) 9.714 3.505 ( 0.109 4.384 1.371) 4.595 3.601 ( 2.704 7.775 1.052) 8.299 3.616 ( 0.419 -4.425 -0.442) 4.467 3.701 ( 1.338 -2.228 2.581) 3.662 3.738 ( 1.360 2.373 0.642) 2.809 3.793 ( -0.365 -0.316 -2.453) 2.500 3.811 ( -1.021 2.324 1.809) 3.117 3.915 ( 4.149 -4.283 -0.885) 6.028 4.015 ( -2.263 -3.120 3.336) 5.097 4.038 ( 2.647 -3.538 4.741) 6.481 4.210 ( 3.399 2.807 1.991) 4.837 4.256 ( 2.548 -0.909 3.282) 4.254 4.410 ( -0.420 3.177 1.286) 3.453 4.434 ( -2.398 1.734 -0.189) 2.965 4.519 ( -2.112 1.275 0.515) 2.520 4.585 ( 0.050 -3.562 2.946) 4.622 4.593 ( 1.341 -0.109 -1.794) 2.242 4.611 ( 2.410 -1.177 1.066) 2.886 4.784 ( -1.884 2.429 -0.106) 3.076 4.824 ( 0.799 -1.807 -0.443) 2.025 5.021 ( -1.150 2.497 2.422) 3.663 5.062 ( -0.302 -2.007 2.491) 3.213 5.159 ( 0.801 0.191 -2.113) 2.268 5.177 ( -0.384 -1.313 -3.646) 3.894 5.365 ( 0.076 4.497 -2.314) 5.058 5.445 ( 2.966 -2.489 -6.259) 7.360 5.668 ( -0.240 3.279 -5.104) 6.071 5.755 ( -0.970 -5.248 -4.420) 6.930 8.197 ( 0.998 3.559 -5.133) 6.325 8.292 ( 1.266 -5.982 -7.203) 9.448 8.621 ( -0.176 0.631 -0.121) 0.666 8.634 ( -0.133 -0.700 -0.652) 0.966 9.189 ( 4.808 3.367 3.468) 6.818 9.237 ( 3.321 -1.267 -0.693) 3.621 9.741 ( -3.070 4.929 -4.748) 7.500 9.894 ( -4.057 -10.579 -10.379) 15.366 11.491 ( 0.157 7.067 13.986) 15.671 11.589 ( -0.554 -2.923 13.006) 13.342 12.014 ( -0.958 11.380 -3.913) 12.072 12.204 ( 0.221 -8.020 -5.507) 9.731 ======================= Grid point 114 (64/88) ======================= q-point: (-0.17 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.339 17.938 3.859) 18.351 1.548 ( -4.524 8.212 7.047) 11.729 1.678 ( 0.506 -9.427 1.596) 9.574 1.770 ( -2.620 -7.378 2.877) 8.341 2.029 ( 2.732 7.457 -0.408) 7.952 2.121 ( 3.213 -2.529 4.419) 6.021 2.180 ( 6.021 0.331 1.163) 6.141 2.213 ( 3.310 -0.383 -8.473) 9.105 2.350 ( -3.769 -0.791 -4.175) 5.680 2.405 ( 0.383 -6.763 -4.314) 8.031 2.508 ( 2.796 5.505 -5.072) 7.990 2.666 ( 0.057 -8.139 -2.186) 8.428 2.840 ( -2.197 2.496 0.836) 3.428 2.896 ( -3.904 -1.908 0.591) 4.385 2.998 ( -3.340 12.670 12.939) 18.415 3.048 ( -1.288 1.692 -0.547) 2.196 3.103 ( -2.139 -2.233 -1.178) 3.310 3.168 ( 0.993 1.703 -1.133) 2.274 3.201 ( 1.937 -2.047 -1.881) 3.388 3.291 ( -5.956 -9.703 8.964) 14.490 3.485 ( -2.006 3.478 -1.760) 4.384 3.555 ( -4.712 -3.475 -3.227) 6.685 3.627 ( 0.139 4.982 5.089) 7.123 3.692 ( -2.538 -1.870 4.364) 5.384 3.769 ( 0.613 1.385 0.807) 1.716 3.806 ( 0.115 1.181 -1.256) 1.727 3.844 ( 4.212 0.077 -0.728) 4.275 3.929 ( 0.669 -6.126 -0.117) 6.163 4.078 ( 3.802 1.631 -2.234) 4.702 4.118 ( 4.497 -2.301 -1.271) 5.208 4.236 ( -0.328 2.504 -4.179) 4.883 4.280 ( -0.927 -1.406 0.848) 1.886 4.422 ( 1.460 1.773 2.561) 3.440 4.430 ( 1.570 2.454 4.048) 4.988 4.502 ( -0.281 0.685 2.069) 2.198 4.570 ( 0.153 -4.215 -1.547) 4.492 4.633 ( 1.063 1.741 2.467) 3.201 4.643 ( 0.283 0.734 2.302) 2.432 4.740 ( -2.621 5.219 2.049) 6.189 4.833 ( -0.037 -3.375 0.449) 3.405 5.006 ( -1.139 3.105 1.542) 3.649 5.066 ( -0.137 -2.948 2.552) 3.902 5.129 ( -2.714 -0.893 -1.994) 3.485 5.151 ( -1.905 -3.317 1.152) 3.995 5.376 ( 1.918 8.286 -1.375) 8.616 5.490 ( 3.472 -2.033 -6.268) 7.449 5.642 ( -0.397 1.386 -6.342) 6.504 5.723 ( -0.618 -6.420 -4.678) 7.967 8.201 ( 1.108 3.476 -4.935) 6.137 8.291 ( 1.006 -5.591 -6.788) 8.852 8.617 ( -0.133 0.266 -0.225) 0.373 8.627 ( -0.322 -0.702 -0.684) 1.032 9.279 ( 2.189 1.587 2.444) 3.644 9.295 ( 2.718 0.637 -2.043) 3.459 9.702 ( 1.490 2.717 -3.613) 4.760 9.808 ( -1.054 -7.578 -8.590) 11.503 11.534 ( -0.489 6.511 12.794) 14.364 11.616 ( -0.854 -2.072 11.399) 11.617 11.982 ( -0.820 10.919 -3.501) 11.496 12.171 ( -1.827 -8.266 -4.594) 9.632 ======================= Grid point 133 (65/88) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -7.398 0.000 10.893) 13.168 1.131 ( 1.141 0.000 4.457) 4.601 1.459 ( -1.110 0.000 1.603) 1.950 1.498 ( 3.122 0.000 -3.914) 5.006 2.270 ( 1.269 0.000 -2.002) 2.371 2.289 ( 5.037 0.000 1.081) 5.151 2.313 ( -3.000 0.000 6.714) 7.354 2.431 ( 4.892 0.000 -5.782) 7.574 2.445 ( 0.191 0.000 20.036) 20.037 2.562 ( -7.258 0.000 1.656) 7.444 2.595 ( 2.702 0.000 -2.528) 3.700 2.713 ( -1.321 0.000 -6.065) 6.208 2.745 ( 2.141 0.000 6.030) 6.399 2.858 ( 2.994 0.000 3.948) 4.955 2.960 ( -3.901 0.000 -3.982) 5.574 2.992 ( -6.229 0.000 -6.013) 8.658 3.187 ( -8.152 0.000 2.932) 8.664 3.260 ( 5.729 0.000 -3.367) 6.645 3.344 ( 7.344 0.000 -1.844) 7.572 3.359 ( 1.239 0.000 -7.508) 7.610 3.437 ( -6.228 0.000 -0.298) 6.235 3.450 ( 3.378 0.000 -2.157) 4.008 3.539 ( -4.720 0.000 3.442) 5.842 3.565 ( 7.152 0.000 -1.036) 7.227 3.795 ( 4.829 0.000 1.558) 5.074 3.811 ( -4.622 0.000 -0.129) 4.623 3.875 ( -6.477 0.000 0.275) 6.483 3.940 ( 5.111 0.000 -5.029) 7.170 4.062 ( 0.917 0.000 0.958) 1.326 4.078 ( -3.515 0.000 -0.512) 3.552 4.231 ( 2.784 0.000 4.166) 5.010 4.234 ( -0.425 0.000 1.936) 1.982 4.275 ( -1.054 0.000 -0.226) 1.078 4.345 ( -2.404 0.000 -5.765) 6.246 4.472 ( -3.323 0.000 4.882) 5.906 4.526 ( 4.028 0.000 -0.459) 4.054 4.541 ( 4.212 0.000 2.054) 4.686 4.589 ( -3.602 0.000 -3.118) 4.765 4.758 ( 3.648 0.000 1.148) 3.824 4.786 ( -0.710 0.000 -2.260) 2.369 4.879 ( 1.265 0.000 -0.366) 1.317 4.885 ( -1.581 0.000 -1.167) 1.965 5.258 ( -0.242 0.000 3.730) 3.738 5.335 ( 1.117 0.000 -4.061) 4.212 5.495 ( -0.641 0.000 4.352) 4.399 5.524 ( 0.217 0.000 0.539) 0.581 5.658 ( -3.750 0.000 2.863) 4.718 5.775 ( 1.697 0.000 -7.926) 8.106 8.327 ( -0.623 0.000 4.076) 4.123 8.414 ( 0.089 0.000 -4.741) 4.742 8.622 ( -0.437 0.000 1.019) 1.109 8.644 ( 0.465 0.000 -1.265) 1.348 9.217 ( 6.823 0.000 1.845) 7.068 9.269 ( -13.221 0.000 -2.984) 13.554 9.847 ( -8.331 0.000 6.749) 10.721 9.982 ( 16.263 0.000 -7.063) 17.731 11.340 ( 0.322 0.000 7.550) 7.557 11.484 ( -0.759 0.000 -6.853) 6.895 11.792 ( -0.494 0.000 13.444) 13.453 12.038 ( 0.272 0.000 -11.333) 11.336 ======================= Grid point 134 (66/88) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 3.176 0.000 9.983) 10.477 1.198 ( 3.811 0.000 6.654) 7.668 1.431 ( -2.941 0.000 5.097) 5.885 1.617 ( 10.558 0.000 -5.857) 12.074 2.172 ( -5.585 0.000 -3.444) 6.561 2.185 ( -5.950 0.000 -7.642) 9.685 2.403 ( -9.962 0.000 8.844) 13.321 2.469 ( 5.398 0.000 9.382) 10.824 2.471 ( -8.169 0.000 -5.484) 9.839 2.582 ( 7.144 0.000 9.756) 12.091 2.617 ( 5.586 0.000 -3.924) 6.826 2.679 ( 0.930 0.000 -4.582) 4.675 2.790 ( 0.218 0.000 1.425) 1.442 2.854 ( -7.331 0.000 4.640) 8.676 2.875 ( -1.316 0.000 -1.717) 2.164 2.961 ( 5.479 0.000 3.309) 6.401 3.090 ( -0.044 0.000 -1.260) 1.260 3.328 ( 1.353 0.000 -2.782) 3.093 3.353 ( 0.380 0.000 -3.655) 3.675 3.375 ( -3.433 0.000 3.396) 4.829 3.405 ( 1.915 0.000 -3.819) 4.272 3.548 ( 1.345 0.000 2.779) 3.088 3.559 ( 6.842 0.000 1.223) 6.951 3.658 ( 2.513 0.000 -1.681) 3.023 3.729 ( -1.635 0.000 -5.548) 5.784 3.758 ( -3.191 0.000 0.791) 3.288 3.870 ( 1.359 0.000 0.252) 1.383 3.980 ( -1.168 0.000 -2.036) 2.347 4.030 ( 2.054 0.000 -0.914) 2.248 4.049 ( -1.225 0.000 3.269) 3.491 4.187 ( -7.977 0.000 3.590) 8.748 4.253 ( 1.585 0.000 1.378) 2.100 4.286 ( -1.752 0.000 -4.818) 5.127 4.354 ( 6.405 0.000 2.409) 6.843 4.497 ( 4.770 0.000 0.742) 4.827 4.500 ( -4.246 0.000 -2.707) 5.035 4.601 ( -0.317 0.000 -1.169) 1.211 4.604 ( 3.617 0.000 -0.380) 3.636 4.731 ( -1.910 0.000 -1.061) 2.185 4.808 ( 2.089 0.000 -3.191) 3.814 4.863 ( -0.606 0.000 0.678) 0.909 4.916 ( 1.719 0.000 -0.917) 1.948 5.276 ( 0.973 0.000 3.209) 3.353 5.350 ( 1.836 0.000 -4.586) 4.940 5.449 ( -5.179 0.000 3.858) 6.458 5.508 ( -2.071 0.000 0.886) 2.253 5.608 ( -2.765 0.000 6.762) 7.306 5.777 ( 0.939 0.000 -7.236) 7.296 8.333 ( -0.290 0.000 4.579) 4.589 8.412 ( 1.130 0.000 -4.111) 4.264 8.613 ( -0.718 0.000 0.974) 1.210 8.641 ( -0.482 0.000 -0.917) 1.035 9.061 ( -7.953 0.000 2.861) 8.452 9.317 ( 0.553 0.000 5.013) 5.043 9.741 ( -2.501 0.000 2.837) 3.782 10.220 ( 11.686 0.000 -15.001) 19.015 11.358 ( -1.069 0.000 7.194) 7.273 11.416 ( -3.377 0.000 -4.877) 5.932 11.849 ( 1.330 0.000 12.142) 12.214 12.025 ( 2.265 0.000 -10.970) 11.201 ======================= Grid point 135 (67/88) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 10.222 0.000 5.683) 11.695 1.306 ( 5.444 0.000 3.260) 6.345 1.398 ( -2.780 0.000 12.498) 12.803 1.826 ( 12.313 0.000 -3.866) 12.906 2.028 ( -7.289 0.000 -12.817) 14.745 2.082 ( -3.053 0.000 -3.211) 4.430 2.215 ( -13.933 0.000 -0.466) 13.941 2.233 ( -9.978 0.000 5.718) 11.500 2.557 ( 3.114 0.000 -1.878) 3.636 2.621 ( -2.399 0.000 -3.540) 4.276 2.710 ( -6.852 0.000 5.818) 8.989 2.718 ( -3.680 0.000 -3.201) 4.878 2.758 ( 6.058 0.000 15.930) 17.043 2.801 ( 8.776 0.000 -5.969) 10.614 2.956 ( 4.248 0.000 3.456) 5.476 3.066 ( 3.459 0.000 5.114) 6.174 3.179 ( 8.211 0.000 -4.302) 9.270 3.231 ( -4.500 0.000 -1.620) 4.783 3.396 ( 1.746 0.000 4.625) 4.943 3.417 ( 2.903 0.000 -6.200) 6.846 3.434 ( 0.197 0.000 5.893) 5.897 3.451 ( -5.197 0.000 5.455) 7.535 3.633 ( -4.218 0.000 -1.069) 4.351 3.651 ( 0.468 0.000 6.095) 6.112 3.735 ( -0.730 0.000 -1.489) 1.659 3.785 ( 6.590 0.000 -9.362) 11.448 3.862 ( -0.294 0.000 -2.649) 2.666 3.936 ( -1.758 0.000 -3.319) 3.756 4.050 ( -6.600 0.000 6.344) 9.155 4.076 ( 3.139 0.000 1.917) 3.678 4.101 ( 3.834 0.000 -4.592) 5.982 4.223 ( -2.468 0.000 -0.737) 2.576 4.303 ( 0.877 0.000 0.109) 0.884 4.438 ( -0.489 0.000 -0.999) 1.112 4.441 ( 1.773 0.000 -0.011) 1.773 4.511 ( -4.941 0.000 -1.832) 5.269 4.620 ( 6.298 0.000 -4.079) 7.504 4.645 ( 1.016 0.000 -0.517) 1.140 4.736 ( 1.423 0.000 0.722) 1.595 4.836 ( -0.075 0.000 -1.346) 1.348 4.853 ( 1.077 0.000 -1.221) 1.628 4.922 ( -0.889 0.000 -1.058) 1.382 5.309 ( 1.056 0.000 4.173) 4.304 5.363 ( -4.929 0.000 5.515) 7.397 5.375 ( 2.409 0.000 -4.743) 5.320 5.459 ( -3.015 0.000 0.245) 3.025 5.593 ( -1.073 0.000 6.707) 6.792 5.765 ( 0.474 0.000 -7.664) 7.678 8.342 ( -0.453 0.000 4.983) 5.003 8.427 ( 1.810 0.000 -4.281) 4.648 8.603 ( -0.617 0.000 1.067) 1.232 8.625 ( -0.647 0.000 -0.620) 0.896 8.994 ( -0.748 0.000 4.825) 4.882 9.251 ( -6.583 0.000 0.384) 6.594 9.795 ( 4.787 0.000 7.738) 9.099 10.307 ( 3.235 0.000 -19.426) 19.694 11.347 ( -2.136 0.000 5.408) 5.814 11.358 ( -1.275 0.000 -1.480) 1.954 11.895 ( -0.616 0.000 10.699) 10.717 12.050 ( 3.528 0.000 -9.742) 10.361 ======================= Grid point 136 (68/88) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.017 0.000 3.336) 3.336 1.375 ( -0.286 0.000 -1.249) 1.281 1.485 ( 6.767 0.000 16.412) 17.752 1.835 ( -7.869 0.000 -15.603) 17.475 1.932 ( -3.622 0.000 8.927) 9.634 1.984 ( -9.159 0.000 9.845) 13.447 2.137 ( 10.269 0.000 -6.531) 12.170 2.144 ( 3.278 0.000 -10.765) 11.253 2.552 ( -3.688 0.000 1.199) 3.878 2.591 ( 1.570 0.000 -3.073) 3.451 2.631 ( -2.171 0.000 1.586) 2.688 2.682 ( -0.384 0.000 1.333) 1.388 2.824 ( -3.700 0.000 7.978) 8.794 2.957 ( 8.944 0.000 -5.904) 10.717 2.972 ( -4.732 0.000 13.644) 14.441 3.113 ( -0.793 0.000 5.801) 5.855 3.201 ( -0.344 0.000 -3.223) 3.242 3.238 ( -3.372 0.000 -7.049) 7.814 3.365 ( 0.371 0.000 6.755) 6.765 3.404 ( 3.153 0.000 4.773) 5.720 3.518 ( 2.044 0.000 -0.482) 2.100 3.518 ( 2.705 0.000 -2.091) 3.419 3.591 ( 4.861 0.000 -1.590) 5.114 3.614 ( -3.569 0.000 -0.195) 3.575 3.717 ( -0.640 0.000 5.854) 5.889 3.829 ( -4.282 0.000 -1.314) 4.479 3.873 ( 4.630 0.000 -5.940) 7.531 3.880 ( -2.534 0.000 -8.272) 8.651 3.991 ( -1.971 0.000 7.208) 7.472 4.123 ( 1.444 0.000 -6.760) 6.912 4.158 ( 3.631 0.000 1.111) 3.797 4.175 ( -2.504 0.000 -0.417) 2.539 4.319 ( 2.041 0.000 3.083) 3.697 4.390 ( -3.082 0.000 -3.563) 4.711 4.475 ( 3.221 0.000 -1.456) 3.535 4.480 ( -0.187 0.000 -1.603) 1.614 4.644 ( -1.143 0.000 -0.494) 1.245 4.661 ( -0.468 0.000 -1.925) 1.981 4.786 ( -3.630 0.000 1.069) 3.784 4.797 ( 3.786 0.000 -0.140) 3.788 4.878 ( -2.937 0.000 -1.144) 3.152 4.895 ( 2.481 0.000 -2.084) 3.240 5.303 ( -3.057 0.000 6.413) 7.104 5.347 ( 1.042 0.000 5.617) 5.713 5.399 ( -1.369 0.000 -1.550) 2.068 5.415 ( 1.608 0.000 -3.578) 3.923 5.616 ( 1.545 0.000 4.452) 4.712 5.753 ( 1.157 0.000 -8.658) 8.735 8.345 ( -0.926 0.000 4.889) 4.976 8.446 ( 1.650 0.000 -5.177) 5.434 8.599 ( -0.148 0.000 1.116) 1.125 8.619 ( 0.242 0.000 -0.818) 0.853 9.054 ( 5.337 0.000 5.440) 7.621 9.135 ( -4.509 0.000 -3.189) 5.522 9.911 ( 3.293 0.000 12.506) 12.932 10.225 ( -4.985 0.000 -19.760) 20.379 11.319 ( -2.143 0.000 4.096) 4.622 11.362 ( 1.727 0.000 0.074) 1.729 11.894 ( -2.845 0.000 9.864) 10.266 12.084 ( 2.982 0.000 -9.117) 9.592 ======================= Grid point 137 (69/88) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -8.127 0.000 -1.147) 8.207 1.305 ( -3.019 0.000 1.828) 3.530 1.561 ( -6.684 0.000 18.868) 20.017 1.654 ( -6.952 0.000 -9.816) 12.028 1.935 ( 4.558 0.000 1.822) 4.909 1.972 ( 6.115 0.000 3.804) 7.202 2.240 ( 7.889 0.000 -3.187) 8.508 2.323 ( 7.939 0.000 -2.869) 8.442 2.534 ( 2.574 0.000 -1.613) 3.038 2.600 ( -1.214 0.000 -1.103) 1.640 2.630 ( 1.368 0.000 2.140) 2.540 2.647 ( -5.171 0.000 10.680) 11.867 2.752 ( -5.736 0.000 9.534) 11.127 2.949 ( 2.349 0.000 4.030) 4.665 2.980 ( -9.383 0.000 1.145) 9.452 3.097 ( 4.194 0.000 -11.590) 12.325 3.146 ( -4.292 0.000 -3.002) 5.238 3.205 ( 3.464 0.000 0.382) 3.485 3.383 ( -2.870 0.000 1.896) 3.440 3.439 ( -2.527 0.000 4.467) 5.133 3.519 ( -0.414 0.000 -4.476) 4.495 3.572 ( 5.250 0.000 0.139) 5.252 3.590 ( 0.370 0.000 1.545) 1.589 3.671 ( -8.645 0.000 -2.977) 9.143 3.737 ( 5.825 0.000 -3.620) 6.858 3.760 ( 3.593 0.000 5.547) 6.609 3.777 ( -5.642 0.000 -5.266) 7.718 3.921 ( 2.036 0.000 -0.867) 2.213 4.009 ( 0.998 0.000 4.807) 4.910 4.137 ( -0.466 0.000 -3.893) 3.921 4.151 ( 3.567 0.000 -4.827) 6.001 4.191 ( -0.143 0.000 1.533) 1.540 4.342 ( -1.686 0.000 -2.544) 3.051 4.400 ( 4.296 0.000 4.553) 6.260 4.468 ( -0.036 0.000 -3.571) 3.571 4.514 ( 0.903 0.000 -2.123) 2.307 4.587 ( -3.673 0.000 -1.273) 3.888 4.640 ( -1.030 0.000 0.239) 1.058 4.737 ( -1.668 0.000 0.688) 1.804 4.768 ( -5.333 0.000 3.286) 6.264 4.880 ( 2.195 0.000 -2.537) 3.355 4.922 ( 0.704 0.000 -0.818) 1.079 5.276 ( -1.920 0.000 5.172) 5.517 5.358 ( -1.581 0.000 -1.510) 2.186 5.396 ( 2.058 0.000 6.917) 7.216 5.456 ( 3.090 0.000 -3.686) 4.809 5.668 ( 2.488 0.000 1.702) 3.015 5.755 ( 1.965 0.000 -8.989) 9.202 8.339 ( -1.206 0.000 4.444) 4.605 8.451 ( 0.630 0.000 -5.927) 5.960 8.606 ( 0.517 0.000 1.134) 1.246 8.626 ( 0.658 0.000 -1.106) 1.287 9.076 ( -0.317 0.000 -3.872) 3.885 9.230 ( 11.677 0.000 3.368) 12.153 9.979 ( -0.913 0.000 14.001) 14.030 10.013 ( -11.017 0.000 -15.288) 18.844 11.300 ( -1.084 0.000 4.245) 4.382 11.411 ( 3.252 0.000 -0.417) 3.279 11.856 ( -4.261 0.000 9.319) 10.247 12.096 ( 1.334 0.000 -9.408) 9.502 ======================= Grid point 138 (70/88) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -4.039 0.000 0.512) 4.072 1.198 ( -9.610 0.000 5.772) 11.210 1.480 ( -3.912 0.000 8.743) 9.579 1.524 ( -4.062 0.000 -4.047) 5.734 2.095 ( 9.943 0.000 1.842) 10.112 2.137 ( 9.802 0.000 -0.783) 9.833 2.352 ( 1.196 0.000 10.185) 10.255 2.404 ( 2.270 0.000 -0.522) 2.329 2.499 ( -9.142 0.000 9.859) 13.445 2.574 ( 1.118 0.000 -5.231) 5.349 2.621 ( 0.757 0.000 -0.288) 0.810 2.698 ( 3.290 0.000 4.080) 5.241 2.709 ( -2.831 0.000 11.782) 12.118 2.840 ( -2.645 0.000 -3.451) 4.349 3.044 ( -4.598 0.000 -2.855) 5.412 3.086 ( 10.869 0.000 -3.972) 11.572 3.089 ( -0.357 0.000 -13.898) 13.902 3.274 ( -0.346 0.000 1.165) 1.215 3.321 ( -2.508 0.000 -0.808) 2.634 3.425 ( -0.050 0.000 7.601) 7.601 3.461 ( -2.516 0.000 -4.746) 5.371 3.475 ( -6.513 0.000 -5.078) 8.259 3.586 ( -7.694 0.000 -0.234) 7.698 3.598 ( -1.851 0.000 4.016) 4.422 3.706 ( 4.083 0.000 -1.364) 4.305 3.846 ( 2.017 0.000 3.150) 3.741 3.848 ( 6.284 0.000 -6.555) 9.080 3.942 ( -0.660 0.000 0.560) 0.865 4.023 ( 0.417 0.000 0.211) 0.467 4.118 ( -0.417 0.000 -3.790) 3.813 4.204 ( 0.896 0.000 3.767) 3.872 4.217 ( 2.843 0.000 0.357) 2.866 4.300 ( -1.868 0.000 -2.781) 3.350 4.428 ( -4.155 0.000 -5.061) 6.548 4.461 ( 0.774 0.000 1.449) 1.643 4.477 ( 0.429 0.000 3.294) 3.322 4.580 ( -6.045 0.000 2.274) 6.458 4.604 ( 3.684 0.000 -2.328) 4.358 4.714 ( -0.712 0.000 1.035) 1.257 4.747 ( 2.577 0.000 1.719) 3.098 4.889 ( -0.498 0.000 -1.658) 1.731 4.916 ( -1.024 0.000 -0.700) 1.241 5.260 ( -1.300 0.000 4.315) 4.506 5.336 ( -0.048 0.000 -2.900) 2.901 5.460 ( 2.104 0.000 6.141) 6.491 5.500 ( 2.279 0.000 -1.526) 2.743 5.697 ( -0.309 0.000 0.363) 0.477 5.766 ( 2.068 0.000 -8.652) 8.895 8.330 ( -1.065 0.000 4.032) 4.170 8.434 ( -0.257 0.000 -5.655) 5.661 8.620 ( 0.311 0.000 1.151) 1.192 8.636 ( 0.781 0.000 -1.296) 1.513 9.105 ( 4.425 0.000 -2.190) 4.937 9.439 ( 4.611 0.000 -6.558) 8.017 9.795 ( -2.547 0.000 -3.449) 4.288 9.957 ( -5.794 0.000 11.846) 13.187 11.310 ( 0.296 0.000 5.918) 5.925 11.471 ( 3.239 0.000 -3.154) 4.521 11.803 ( -4.262 0.000 10.597) 11.422 12.075 ( -0.080 0.000 -10.397) 10.397 ======================= Grid point 139 (71/88) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -2.775 7.593 11.132) 13.758 1.228 ( -1.994 9.953 5.816) 11.699 1.469 ( 0.674 1.904 0.473) 2.075 1.579 ( 1.562 7.200 -5.485) 9.185 2.193 ( 0.546 -5.220 1.072) 5.357 2.229 ( 1.048 -6.271 -4.550) 7.819 2.324 ( 1.251 -0.729 3.328) 3.629 2.397 ( 6.785 -3.865 -2.873) 8.321 2.477 ( -1.968 -5.303 4.254) 7.078 2.537 ( -1.121 -1.975 0.139) 2.275 2.578 ( -4.386 8.504 16.028) 18.667 2.729 ( -1.658 -1.023 -1.325) 2.356 2.772 ( 3.198 -0.783 1.625) 3.671 2.856 ( -0.180 -0.895 3.074) 3.207 2.906 ( -3.558 0.348 -3.045) 4.696 3.010 ( -3.232 0.921 -6.194) 7.047 3.174 ( 0.361 -5.646 0.892) 5.727 3.198 ( -1.775 -0.779 0.122) 1.942 3.328 ( 1.710 -2.928 -1.004) 3.537 3.362 ( 2.895 -0.279 -6.293) 6.932 3.389 ( 0.417 -0.801 0.364) 0.974 3.462 ( 0.075 1.355 -7.251) 7.377 3.565 ( -2.405 1.672 4.873) 5.685 3.620 ( 4.161 3.715 -1.117) 5.689 3.784 ( 4.818 -0.883 2.189) 5.365 3.811 ( -4.597 -0.093 0.140) 4.600 3.853 ( -3.741 -0.932 0.639) 3.908 3.940 ( 2.995 -0.218 -6.181) 6.872 4.058 ( -2.702 -1.026 1.366) 3.197 4.092 ( 1.730 0.833 -1.732) 2.586 4.232 ( -3.497 2.031 4.732) 6.225 4.287 ( 2.472 1.365 -0.448) 2.860 4.333 ( -0.198 6.257 3.482) 7.164 4.419 ( -2.036 5.488 -4.998) 7.698 4.507 ( -3.800 3.251 2.620) 5.646 4.532 ( 3.878 1.258 0.683) 4.134 4.560 ( 0.978 1.933 1.619) 2.704 4.614 ( 0.806 1.569 -3.367) 3.801 4.742 ( 4.360 -1.272 1.868) 4.911 4.792 ( -2.068 1.357 -3.251) 4.085 4.864 ( 1.585 -0.937 0.513) 1.912 4.888 ( -1.558 0.636 -1.888) 2.529 5.242 ( -0.580 -1.519 3.904) 4.229 5.321 ( 1.225 -1.463 -3.698) 4.161 5.477 ( -1.544 -4.107 1.958) 4.805 5.484 ( 0.132 -1.528 2.868) 3.253 5.629 ( -2.487 -2.651 3.096) 4.775 5.763 ( 1.794 -1.588 -8.535) 8.865 8.281 ( -0.676 -4.238 4.251) 6.040 8.374 ( 0.398 -3.957 -5.127) 6.488 8.620 ( -0.600 -0.168 0.872) 1.072 8.641 ( 0.632 -0.445 -1.165) 1.398 9.216 ( 5.628 0.209 0.878) 5.700 9.242 ( -10.850 -1.793 -1.010) 11.043 9.839 ( -6.918 -1.411 3.790) 8.014 9.941 ( 14.291 -4.042 -6.174) 16.084 11.409 ( -1.764 6.723 8.214) 10.760 11.556 ( 1.057 6.798 -6.621) 9.548 11.813 ( -0.368 1.957 13.001) 13.153 12.054 ( -0.281 1.280 -11.105) 11.183 ======================= Grid point 140 (72/88) ======================= q-point: ( 0.17 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 2.005 10.601 9.110) 14.121 1.263 ( 3.039 6.697 7.296) 10.359 1.495 ( 0.180 5.262 1.431) 5.456 1.641 ( 7.587 3.138 -4.590) 9.407 2.133 ( -4.492 -3.809 -7.212) 9.311 2.166 ( -3.850 -2.263 -1.538) 4.723 2.366 ( -6.052 -6.001 -0.846) 8.565 2.410 ( -5.944 -1.925 5.241) 8.155 2.456 ( 0.112 -2.712 -3.961) 4.801 2.521 ( 2.998 -10.035 -2.624) 10.797 2.627 ( 3.304 6.745 19.635) 21.022 2.693 ( 0.964 0.171 -4.709) 4.810 2.747 ( -5.641 -3.786 1.708) 7.005 2.869 ( 1.508 3.584 1.191) 4.067 2.924 ( -2.110 1.812 -2.020) 3.437 2.963 ( 5.286 0.000 3.245) 6.203 3.142 ( 1.565 3.912 1.414) 4.444 3.240 ( 2.010 -6.248 2.043) 6.874 3.313 ( -2.485 -1.821 -2.676) 4.080 3.381 ( 3.545 0.358 -5.253) 6.348 3.430 ( 1.360 -0.403 0.378) 1.468 3.543 ( 3.670 0.083 -2.023) 4.191 3.555 ( 2.802 -0.046 1.634) 3.245 3.689 ( 3.052 1.106 -3.231) 4.580 3.712 ( -5.238 0.235 -0.647) 5.283 3.748 ( -2.908 -0.530 -0.247) 2.967 3.875 ( 1.952 0.141 0.336) 1.986 4.015 ( 0.980 -1.153 0.355) 1.555 4.030 ( 4.034 0.000 -1.448) 4.286 4.051 ( -5.090 4.522 2.093) 7.123 4.206 ( -4.858 0.083 1.603) 5.116 4.253 ( -1.476 2.459 3.290) 4.364 4.360 ( -2.850 4.202 -4.550) 6.819 4.395 ( 4.629 2.041 3.624) 6.223 4.497 ( -0.253 0.780 -1.449) 1.665 4.509 ( -0.322 2.829 -0.454) 2.883 4.623 ( 2.502 3.296 -1.242) 4.320 4.659 ( 2.122 2.464 -1.735) 3.686 4.716 ( -2.153 -0.659 -2.561) 3.410 4.813 ( 2.846 -0.173 0.125) 2.854 4.858 ( -1.028 0.693 -1.363) 1.842 4.917 ( 2.788 0.269 -0.561) 2.857 5.251 ( 0.372 -2.350 3.446) 4.188 5.331 ( 0.602 -1.972 -2.794) 3.472 5.426 ( -3.869 -2.880 2.182) 5.294 5.470 ( -2.128 -2.446 1.737) 3.678 5.597 ( -2.269 -1.420 6.119) 6.679 5.767 ( 1.376 -1.192 -8.216) 8.415 8.283 ( -0.593 -4.468 4.567) 6.417 8.373 ( 1.112 -3.897 -4.774) 6.262 8.610 ( -0.647 -0.243 0.805) 1.061 8.644 ( -0.059 0.020 -0.889) 0.891 9.069 ( -6.851 1.207 3.211) 7.661 9.298 ( 0.620 -1.566 3.794) 4.151 9.743 ( -2.329 -0.023 0.670) 2.423 10.153 ( 10.370 -6.547 -13.570) 18.290 11.384 ( -3.089 4.570 7.488) 9.300 11.539 ( -0.908 9.679 -3.844) 10.454 11.864 ( 0.918 1.301 11.802) 11.909 12.035 ( 1.995 0.756 -10.268) 10.488 ======================= Grid point 141 (73/88) ======================= q-point: ( 0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 6.889 6.393 6.259) 11.292 1.370 ( 5.660 5.682 3.747) 8.853 1.478 ( -3.068 7.252 8.492) 11.581 1.814 ( 10.703 -0.958 -1.721) 10.883 2.020 ( -5.315 -0.754 -12.518) 13.620 2.082 ( -2.345 -0.410 -4.256) 4.876 2.168 ( -11.857 -3.315 1.476) 12.400 2.250 ( -9.417 1.481 4.252) 10.438 2.479 ( 0.040 -9.176 -2.679) 9.560 2.541 ( 1.601 -4.964 -2.814) 5.927 2.635 ( -7.298 -5.038 6.073) 10.748 2.737 ( 3.935 -0.157 -9.333) 10.130 2.785 ( 4.673 2.324 10.658) 11.868 2.829 ( 0.734 2.532 2.369) 3.545 2.949 ( 1.021 -0.307 2.616) 2.825 3.104 ( 7.376 2.099 2.290) 8.004 3.199 ( 1.824 -0.462 3.516) 3.988 3.255 ( -1.454 1.671 -0.105) 2.217 3.350 ( 7.213 -0.914 1.723) 7.472 3.415 ( 0.988 1.100 -4.978) 5.193 3.431 ( -1.638 0.305 4.056) 4.385 3.507 ( -1.731 2.101 2.041) 3.402 3.638 ( -1.756 0.260 -0.369) 1.813 3.656 ( 0.968 0.120 2.836) 2.999 3.713 ( 1.151 -2.254 -3.076) 3.984 3.744 ( 0.950 -1.294 -1.499) 2.196 3.872 ( -0.520 0.511 -2.204) 2.322 3.933 ( -3.612 0.371 -1.678) 4.000 4.071 ( -4.602 0.142 4.305) 6.304 4.079 ( 0.452 0.514 1.392) 1.551 4.123 ( 4.478 3.643 -2.955) 6.485 4.263 ( -0.738 -1.593 2.097) 2.735 4.295 ( -2.162 3.509 -2.891) 5.034 4.441 ( 0.480 1.738 0.288) 1.826 4.463 ( -2.650 0.842 -2.671) 3.856 4.562 ( 0.017 3.181 -1.540) 3.535 4.586 ( 2.650 0.519 -2.076) 3.407 4.715 ( 1.205 3.062 -2.173) 3.943 4.724 ( 3.298 -0.580 -0.036) 3.349 4.824 ( -2.551 -1.253 1.710) 3.317 4.871 ( 3.501 2.469 -2.945) 5.199 4.945 ( 0.245 2.071 -1.387) 2.504 5.273 ( 0.436 -3.534 4.604) 5.820 5.312 ( -2.821 -3.884 4.237) 6.403 5.383 ( 0.077 -0.368 -3.592) 3.612 5.428 ( -2.265 -2.589 -0.335) 3.456 5.586 ( -1.047 -0.815 6.867) 6.994 5.760 ( 0.777 -0.621 -8.271) 8.330 8.287 ( -0.646 -4.873 4.835) 6.895 8.383 ( 1.552 -4.354 -5.081) 6.869 8.604 ( -0.174 0.100 0.777) 0.803 8.634 ( -0.613 0.511 -0.593) 0.994 9.013 ( -0.623 2.061 4.917) 5.368 9.249 ( -5.268 -0.326 0.148) 5.280 9.775 ( 3.657 -1.705 5.163) 6.553 10.224 ( 2.499 -7.895 -17.885) 19.709 11.361 ( -1.489 4.897 7.370) 8.973 11.504 ( -1.579 10.368 -2.113) 10.698 11.903 ( -0.976 0.739 11.002) 11.070 12.061 ( 3.842 0.862 -9.704) 10.473 ======================= Grid point 142 (74/88) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -4.073 3.215 3.569) 6.298 1.405 ( 2.631 4.088 1.334) 5.041 1.534 ( 5.273 4.931 13.922) 15.682 1.845 ( -7.347 1.191 -13.076) 15.046 1.943 ( -0.520 1.161 5.287) 5.438 1.996 ( -8.810 1.158 8.627) 12.385 2.100 ( 5.847 -2.150 -7.023) 9.388 2.164 ( 5.756 0.707 -8.780) 10.522 2.470 ( -0.887 -7.831 0.997) 7.944 2.508 ( -4.405 -6.870 2.184) 8.448 2.587 ( 1.283 -1.480 1.671) 2.575 2.742 ( 1.322 1.199 -5.825) 6.092 2.813 ( -4.057 0.134 3.529) 5.379 2.896 ( 6.098 -3.491 -3.367) 7.792 3.027 ( 0.521 4.493 11.762) 12.601 3.164 ( -4.154 -2.263 3.066) 5.637 3.205 ( 0.981 1.926 0.432) 2.204 3.251 ( 0.790 2.642 -3.180) 4.210 3.353 ( -4.223 1.169 8.194) 9.292 3.432 ( 0.572 -0.176 -1.064) 1.221 3.497 ( 2.552 -0.097 -2.067) 3.286 3.533 ( 4.203 1.338 -0.702) 4.466 3.575 ( -3.720 1.291 4.071) 5.664 3.666 ( 3.285 1.396 -4.032) 5.385 3.705 ( -1.034 0.037 9.262) 9.319 3.794 ( -0.879 -3.058 -1.228) 3.411 3.825 ( -0.815 -3.014 -5.410) 6.246 3.907 ( 1.868 1.299 -9.048) 9.330 4.013 ( -0.885 2.060 5.392) 5.839 4.108 ( 1.552 -0.632 -1.722) 2.403 4.174 ( -0.675 3.460 2.115) 4.111 4.243 ( 0.008 3.129 -2.739) 4.158 4.287 ( 1.952 -2.341 2.576) 3.991 4.368 ( -3.486 -1.008 -4.933) 6.124 4.492 ( 2.944 2.355 0.374) 3.789 4.522 ( -1.177 2.894 -2.863) 4.238 4.660 ( 1.797 0.727 0.642) 2.042 4.690 ( -1.871 1.979 -2.025) 3.394 4.764 ( -4.143 -1.480 2.076) 4.865 4.800 ( 3.930 0.403 -1.391) 4.188 4.913 ( -1.625 3.012 -1.603) 3.779 4.924 ( 1.289 2.933 -1.942) 3.746 5.271 ( -2.523 -3.011 6.678) 7.747 5.302 ( 0.521 -4.148 5.531) 6.933 5.387 ( 0.069 -1.531 -3.095) 3.454 5.400 ( 1.285 -1.432 -3.945) 4.389 5.603 ( 0.794 -0.970 5.250) 5.398 5.749 ( 0.997 -0.524 -8.613) 8.687 8.288 ( -0.835 -5.015 4.796) 6.990 8.395 ( 1.418 -4.924 -5.761) 7.710 8.607 ( 0.034 0.580 0.908) 1.079 8.625 ( 0.054 0.358 -0.812) 0.889 9.069 ( 4.675 1.619 5.384) 7.312 9.152 ( -3.664 1.501 -3.375) 5.202 9.865 ( 2.322 -4.146 10.456) 11.486 10.144 ( -4.302 -7.569 -18.087) 20.073 11.373 ( -0.168 6.215 7.665) 9.869 11.477 ( -0.161 9.701 -2.736) 10.081 11.897 ( -3.170 0.397 10.716) 11.182 12.102 ( 3.488 1.360 -9.822) 10.511 ======================= Grid point 143 (75/88) ======================= q-point: (-0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -7.568 0.651 6.046) 9.709 1.406 ( -3.324 7.383 -1.398) 8.216 1.606 ( -5.919 4.646 16.585) 18.212 1.688 ( -5.316 4.070 -9.259) 11.426 1.936 ( 4.540 -0.168 1.472) 4.775 1.984 ( 5.303 1.707 0.851) 5.635 2.217 ( 7.140 -3.625 -3.077) 8.579 2.299 ( 5.180 -1.989 0.019) 5.548 2.442 ( 0.898 -7.317 -0.247) 7.376 2.500 ( 0.941 -6.913 0.940) 7.040 2.627 ( 2.733 0.215 0.119) 2.744 2.735 ( -2.452 2.041 4.200) 5.274 2.772 ( -0.789 3.148 0.375) 3.267 2.927 ( -5.886 0.317 5.898) 8.339 3.016 ( 2.667 -3.588 -4.089) 6.058 3.060 ( -7.251 3.347 3.595) 8.758 3.172 ( -2.293 0.444 -1.981) 3.063 3.251 ( -0.083 2.860 -0.333) 2.881 3.372 ( -1.218 -0.211 4.772) 4.930 3.394 ( -0.831 -4.519 -3.514) 5.784 3.494 ( 0.264 -2.368 -0.799) 2.513 3.573 ( -1.246 3.353 -4.035) 5.393 3.581 ( 1.535 -0.498 4.484) 4.766 3.667 ( -5.412 -1.510 -1.587) 5.838 3.697 ( -2.054 -2.058 -0.234) 2.917 3.764 ( 2.613 1.246 -2.285) 3.688 3.809 ( 0.919 1.218 2.363) 2.813 3.986 ( 6.161 0.174 -3.185) 6.938 4.034 ( 1.552 5.142 -0.231) 5.376 4.120 ( -3.533 0.212 0.081) 3.540 4.158 ( 4.104 1.444 -0.918) 4.446 4.239 ( -0.257 2.277 -0.491) 2.344 4.321 ( -0.501 -0.136 -3.374) 3.414 4.370 ( 4.593 -2.849 5.301) 7.571 4.488 ( -0.468 2.185 -2.747) 3.541 4.559 ( 2.995 1.554 -0.662) 3.438 4.598 ( -4.837 3.390 -3.100) 6.670 4.680 ( -1.947 2.564 1.787) 3.682 4.707 ( -1.994 -2.337 1.457) 3.401 4.818 ( -3.329 3.776 1.452) 5.240 4.875 ( 1.003 0.172 -3.128) 3.290 4.941 ( 0.159 2.018 -0.847) 2.194 5.254 ( -1.413 -2.046 5.184) 5.749 5.320 ( -0.248 -3.591 1.113) 3.767 5.395 ( 1.865 -0.557 1.672) 2.566 5.433 ( 2.750 -2.255 -3.240) 4.811 5.639 ( 1.293 -2.480 2.723) 3.904 5.747 ( 1.710 -1.005 -8.698) 8.921 8.286 ( -0.975 -4.843 4.505) 6.686 8.397 ( 0.818 -5.019 -6.147) 7.978 8.612 ( 0.321 0.317 0.598) 0.749 8.628 ( 0.448 0.214 -0.705) 0.862 9.098 ( -0.192 2.179 -3.943) 4.509 9.226 ( 9.809 -0.282 3.164) 10.310 9.880 ( -5.893 -6.748 4.858) 10.191 9.999 ( -4.058 -3.639 -6.199) 8.254 11.389 ( -0.525 8.366 6.363) 10.524 11.490 ( 2.331 7.462 -2.352) 8.164 11.858 ( -4.261 0.377 10.226) 11.084 12.120 ( 1.674 1.791 -10.328) 10.616 ======================= Grid point 144 (76/88) ======================= q-point: (-0.17 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -4.728 3.136 9.087) 10.712 1.304 ( -6.280 8.954 0.910) 10.975 1.506 ( -5.893 3.377 7.472) 10.097 1.597 ( -1.832 7.023 -5.479) 9.094 2.084 ( 8.797 -0.747 -1.646) 8.980 2.133 ( 8.415 -1.177 0.579) 8.517 2.292 ( 1.413 -6.821 4.517) 8.302 2.356 ( 0.609 -3.115 3.473) 4.705 2.477 ( 1.023 -6.801 0.670) 6.910 2.528 ( 2.359 -3.711 -4.278) 6.135 2.643 ( -4.674 8.675 5.645) 11.356 2.706 ( -1.144 -1.684 9.532) 9.747 2.772 ( 1.109 4.391 4.821) 6.615 2.831 ( -2.930 -0.919 -3.146) 4.396 2.997 ( -2.021 -3.519 -2.185) 4.609 3.069 ( 5.722 -1.760 -4.696) 7.609 3.102 ( -4.046 0.601 -5.109) 6.544 3.270 ( 1.219 -0.919 1.213) 1.950 3.310 ( -2.873 -3.025 -1.924) 4.595 3.370 ( -2.885 -0.314 1.587) 3.308 3.436 ( -4.563 -1.713 -7.162) 8.663 3.540 ( -0.256 3.026 -0.481) 3.074 3.564 ( -4.318 -0.511 2.305) 4.921 3.607 ( -1.516 1.399 1.376) 2.480 3.696 ( 3.707 -0.723 0.469) 3.806 3.806 ( 3.360 -1.938 -3.222) 5.042 3.862 ( 1.474 1.380 1.790) 2.699 4.008 ( -4.450 2.244 -1.610) 5.237 4.027 ( 0.805 0.276 -0.564) 1.020 4.112 ( 1.077 0.047 -2.635) 2.847 4.236 ( 3.209 1.807 0.513) 3.719 4.252 ( 0.881 2.421 3.148) 4.068 4.314 ( 0.595 3.624 -1.122) 3.840 4.450 ( 1.792 -1.556 1.123) 2.626 4.486 ( 0.068 3.136 -1.961) 3.699 4.511 ( -0.531 4.824 -1.184) 4.995 4.604 ( -3.432 2.686 3.246) 5.433 4.623 ( 0.309 1.524 -1.828) 2.400 4.683 ( -0.552 -2.686 1.250) 3.014 4.785 ( 0.472 3.811 1.494) 4.120 4.876 ( -0.604 -0.868 -2.132) 2.380 4.924 ( -1.488 1.025 -1.208) 2.173 5.246 ( -1.134 -1.404 4.409) 4.764 5.315 ( 0.400 -2.169 -2.597) 3.407 5.448 ( 2.230 -1.090 3.555) 4.336 5.471 ( 1.607 -2.959 -0.429) 3.394 5.655 ( -0.569 -3.599 1.295) 3.867 5.755 ( 1.950 -1.499 -8.596) 8.941 8.282 ( -0.867 -4.473 4.222) 6.212 8.387 ( 0.227 -4.504 -5.817) 7.361 8.621 ( 0.314 -0.017 0.568) 0.650 8.634 ( 0.364 -0.211 -0.796) 0.901 9.122 ( 3.880 1.833 -2.697) 5.069 9.384 ( 1.880 -4.389 -3.543) 5.946 9.762 ( 0.291 -2.653 -0.835) 2.797 9.940 ( -4.830 -2.597 6.354) 8.393 11.401 ( -0.329 8.727 6.508) 10.891 11.534 ( 2.853 5.962 -3.637) 7.544 11.814 ( -3.581 1.102 10.968) 11.590 12.099 ( -0.213 1.834 -10.937) 11.091 ======================= Grid point 145 (77/88) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 1.373 10.912 13.010) 17.035 1.471 ( -4.188 12.883 11.401) 17.706 1.556 ( 1.331 7.838 -7.807) 11.143 1.738 ( 1.228 8.469 -10.021) 13.178 2.047 ( -0.016 -9.653 3.102) 10.139 2.114 ( 1.000 -5.334 -3.206) 6.303 2.275 ( -1.268 -5.971 -1.064) 6.197 2.308 ( 4.181 -1.634 -2.615) 5.195 2.365 ( 1.130 -5.390 6.565) 8.569 2.461 ( -3.704 -5.183 -2.375) 6.799 2.608 ( 2.585 -8.587 -0.013) 8.967 2.661 ( -1.118 -7.703 -4.674) 9.079 2.813 ( -4.041 8.170 11.135) 14.390 2.901 ( 0.197 5.958 -0.154) 5.964 2.957 ( 2.533 0.764 0.421) 2.679 3.022 ( -3.293 -0.133 -3.126) 4.542 3.094 ( -1.866 1.485 7.856) 8.210 3.197 ( 0.733 0.838 2.381) 2.629 3.284 ( 2.154 -1.220 0.747) 2.586 3.351 ( -1.935 -0.267 -5.984) 6.294 3.394 ( 0.115 0.674 1.814) 1.938 3.515 ( 1.553 3.372 -7.065) 7.981 3.588 ( -1.036 1.021 1.786) 2.303 3.674 ( 1.131 1.554 -2.684) 3.301 3.777 ( 4.628 0.528 4.161) 6.245 3.797 ( -2.968 -1.153 3.349) 4.621 3.863 ( -3.618 1.790 -2.537) 4.768 3.939 ( 3.640 0.143 -8.236) 9.005 4.030 ( -4.158 -1.846 1.575) 4.815 4.076 ( 4.624 -2.683 -2.620) 5.954 4.246 ( -1.133 -2.203 3.340) 4.158 4.282 ( -2.157 -1.682 0.101) 2.737 4.463 ( 0.818 5.412 2.569) 6.046 4.479 ( -2.671 1.509 0.272) 3.080 4.561 ( 1.481 2.467 2.182) 3.612 4.595 ( 0.002 2.122 1.383) 2.533 4.614 ( 0.146 1.861 -0.535) 1.942 4.622 ( 1.077 2.694 -2.269) 3.683 4.739 ( 2.818 1.472 4.077) 5.170 4.828 ( -2.702 0.933 -3.433) 4.467 4.896 ( 1.753 5.107 -0.253) 5.405 4.932 ( -0.861 4.061 -3.718) 5.573 5.207 ( -1.077 -1.848 4.289) 4.792 5.278 ( 0.781 -3.093 -1.210) 3.411 5.389 ( -1.485 -3.682 2.774) 4.843 5.446 ( 0.477 -2.479 -1.346) 2.861 5.569 ( -1.332 -3.169 2.821) 4.447 5.707 ( 2.051 -4.123 -8.404) 9.583 8.194 ( -0.380 -3.903 2.931) 4.896 8.277 ( 0.689 -5.496 -5.245) 7.629 8.614 ( -0.641 -0.411 0.382) 0.852 8.626 ( 0.653 -0.936 -0.817) 1.403 9.231 ( -6.417 0.898 0.344) 6.489 9.235 ( 2.868 1.715 -0.583) 3.392 9.787 ( -3.485 -3.540 0.776) 5.028 9.842 ( 9.795 -5.642 -4.318) 12.101 11.572 ( -3.984 9.271 8.536) 13.217 11.716 ( 3.057 9.084 -5.821) 11.213 11.848 ( -0.473 1.014 11.716) 11.769 12.065 ( -0.803 -0.712 -9.739) 9.798 ======================= Grid point 146 (78/88) ======================= q-point: ( 0.17 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 1.378 11.869 7.963) 14.359 1.445 ( -0.702 11.252 10.584) 15.464 1.596 ( 5.182 5.819 -9.044) 11.938 1.745 ( 0.882 6.582 -1.963) 6.925 2.026 ( -2.167 -6.402 -2.829) 7.327 2.115 ( -0.032 -3.579 0.644) 3.637 2.239 ( -2.267 -6.810 -1.818) 7.404 2.323 ( -6.641 -6.689 -5.285) 10.807 2.374 ( 1.110 -3.201 5.568) 6.517 2.389 ( -0.345 -3.999 -2.144) 4.551 2.563 ( -2.281 -6.877 -2.313) 7.606 2.734 ( 3.053 -4.007 -1.090) 5.154 2.795 ( -1.804 4.072 6.092) 7.546 2.900 ( -1.036 4.072 6.157) 7.454 2.962 ( 2.129 1.794 -2.255) 3.583 2.988 ( 0.529 2.444 -2.391) 3.460 3.102 ( 0.153 -2.761 7.628) 8.114 3.252 ( 3.062 3.049 5.215) 6.772 3.285 ( -0.635 -1.028 -1.558) 1.972 3.390 ( 5.659 0.295 -1.785) 5.942 3.411 ( 1.586 0.015 0.237) 1.603 3.553 ( 0.253 -0.098 4.524) 4.532 3.580 ( 2.625 3.447 -7.160) 8.369 3.673 ( -1.981 -1.185 -0.991) 2.513 3.741 ( -0.869 0.413 0.720) 1.202 3.760 ( -3.511 2.793 -3.700) 5.815 3.879 ( 2.685 0.276 -0.035) 2.699 3.988 ( 0.482 -2.000 1.044) 2.307 4.014 ( 2.640 -0.151 -2.913) 3.934 4.143 ( 2.473 1.509 -1.864) 3.445 4.202 ( -3.073 0.913 1.306) 3.462 4.253 ( -1.978 -5.768 4.209) 7.409 4.375 ( -4.975 4.053 2.690) 6.959 4.494 ( -1.058 5.139 2.335) 5.742 4.546 ( -0.473 2.965 -2.698) 4.036 4.582 ( -0.549 3.099 -0.855) 3.262 4.640 ( 2.168 -2.029 -0.448) 3.003 4.681 ( 1.682 1.568 -1.595) 2.799 4.745 ( -1.816 1.527 -1.511) 2.813 4.808 ( 1.289 0.275 1.996) 2.392 4.901 ( 0.394 3.500 -2.441) 4.286 4.958 ( 3.180 4.154 -0.978) 5.322 5.200 ( -1.012 -2.515 3.624) 4.526 5.265 ( -2.499 -4.624 3.260) 6.185 5.376 ( 0.085 -1.222 -2.224) 2.539 5.424 ( -2.072 -2.693 -1.441) 3.691 5.558 ( -0.928 -2.092 5.146) 5.632 5.724 ( 2.361 -3.328 -8.480) 9.411 8.194 ( -0.651 -4.015 2.871) 4.978 8.276 ( 0.920 -5.537 -5.175) 7.634 8.605 ( -0.326 -0.194 0.366) 0.527 8.635 ( 0.413 -0.852 -0.632) 1.139 9.117 ( -5.026 3.641 2.902) 6.851 9.272 ( -0.321 -1.030 1.926) 2.207 9.736 ( -0.777 -0.466 -2.224) 2.401 9.994 ( 7.459 -9.049 -10.066) 15.454 11.525 ( -3.536 9.099 9.247) 13.446 11.735 ( 0.139 9.750 -3.322) 10.301 11.882 ( 0.440 0.017 9.714) 9.724 12.042 ( 1.620 -0.316 -8.278) 8.441 ======================= Grid point 147 (79/88) ======================= q-point: ( 0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 2.318 9.357 6.906) 11.858 1.499 ( 1.924 7.617 2.867) 8.363 1.623 ( -2.234 6.540 1.275) 7.028 1.796 ( 5.993 -0.997 2.300) 6.496 1.994 ( 0.668 -2.056 -6.444) 6.797 2.074 ( -4.573 0.658 -6.356) 7.857 2.144 ( -5.398 1.300 0.872) 5.620 2.253 ( 0.145 -12.298 -1.391) 12.377 2.290 ( -6.563 2.593 1.922) 7.314 2.454 ( 3.038 -4.966 -3.798) 6.951 2.501 ( -4.110 -7.677 3.607) 9.426 2.722 ( -0.945 -3.491 -5.915) 6.933 2.811 ( 1.236 1.399 0.712) 1.998 2.913 ( 0.387 5.932 6.414) 8.745 2.968 ( 1.812 2.134 -0.087) 2.801 3.089 ( 5.748 -4.292 0.352) 7.183 3.159 ( 3.610 -0.484 3.787) 5.255 3.267 ( -0.634 -0.443 -0.606) 0.982 3.320 ( 0.851 -2.730 7.154) 7.705 3.425 ( 0.819 -1.411 -0.813) 1.823 3.507 ( 4.946 5.058 1.960) 7.341 3.558 ( 1.448 3.949 3.198) 5.283 3.626 ( -1.202 -1.163 -0.737) 1.828 3.631 ( 2.111 -0.699 -2.657) 3.465 3.706 ( -1.091 2.024 -3.280) 4.006 3.744 ( -0.230 -0.139 0.422) 0.501 3.882 ( -2.817 0.902 -1.094) 3.154 3.985 ( -1.601 4.358 -0.847) 4.719 4.030 ( 1.909 -2.725 1.672) 3.723 4.127 ( -5.207 2.060 2.101) 5.980 4.189 ( 0.629 -0.161 -0.276) 0.705 4.229 ( 0.851 1.589 3.304) 3.764 4.333 ( -1.243 0.897 -1.604) 2.219 4.496 ( -1.803 3.682 -4.431) 6.037 4.504 ( -0.104 2.499 1.528) 2.930 4.588 ( 1.556 0.915 0.934) 2.033 4.626 ( -3.285 1.339 -2.410) 4.289 4.689 ( 2.343 -1.540 -1.082) 3.005 4.761 ( 1.004 -0.912 0.478) 1.438 4.804 ( -1.491 -0.319 -0.199) 1.538 4.938 ( 3.535 4.172 -1.444) 5.656 5.002 ( 1.493 3.738 -1.441) 4.276 5.192 ( -1.042 -3.969 4.871) 6.369 5.226 ( -2.615 -4.429 5.394) 7.453 5.366 ( -0.135 -1.304 -5.014) 5.183 5.376 ( -1.571 -2.581 -2.990) 4.251 5.571 ( 0.308 -0.182 5.732) 5.743 5.735 ( 1.475 -2.183 -8.102) 8.519 8.191 ( -0.613 -4.280 2.935) 5.226 8.278 ( 1.029 -5.945 -5.521) 8.178 8.606 ( 0.318 0.125 0.343) 0.484 8.635 ( -0.242 -0.396 -0.500) 0.682 9.074 ( -0.696 4.041 4.257) 5.910 9.238 ( -3.089 -0.820 0.347) 3.214 9.746 ( 1.720 -0.876 0.385) 1.969 10.038 ( 1.237 -10.360 -13.534) 17.089 11.509 ( -1.343 9.438 10.292) 14.029 11.710 ( -1.311 9.946 -2.150) 10.260 11.913 ( -0.823 0.002 9.112) 9.149 12.068 ( 3.683 -0.466 -8.714) 9.471 ======================= Grid point 148 (80/88) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -8.000 3.060 8.372) 11.977 1.530 ( 3.816 8.015 2.424) 9.202 1.658 ( 4.756 6.578 5.436) 9.769 1.869 ( -2.000 -1.295 -8.017) 8.363 1.953 ( -0.430 1.217 -1.341) 1.861 2.023 ( -0.725 0.020 -2.178) 2.295 2.079 ( -2.959 1.055 2.330) 3.911 2.190 ( 2.535 2.174 -5.442) 6.385 2.299 ( 1.538 -7.811 5.421) 9.632 2.380 ( -4.735 -5.927 -1.033) 7.656 2.535 ( 2.314 -4.069 2.977) 5.548 2.699 ( 1.472 -5.307 -10.194) 11.587 2.856 ( 0.852 2.738 1.023) 3.045 2.873 ( 0.043 2.678 -1.116) 2.901 3.092 ( -3.386 -3.848 3.528) 6.223 3.105 ( 5.057 2.489 4.822) 7.418 3.192 ( -2.945 -2.021 1.343) 3.816 3.255 ( 0.807 -1.681 -1.616) 2.468 3.359 ( 0.608 -2.825 2.898) 4.093 3.440 ( 1.524 -0.260 -2.640) 3.060 3.537 ( -5.183 4.975 6.294) 9.551 3.590 ( -0.606 1.294 4.285) 4.517 3.617 ( -0.289 -0.363 0.857) 0.974 3.653 ( 3.358 4.432 -4.591) 7.211 3.706 ( 1.287 -2.490 0.175) 2.808 3.761 ( 1.004 0.087 2.464) 2.663 3.802 ( -1.928 2.755 -0.386) 3.384 3.937 ( -2.954 1.451 -3.981) 5.165 4.065 ( 1.441 3.137 2.349) 4.176 4.111 ( 3.131 0.801 0.514) 3.273 4.205 ( 0.931 -3.254 3.272) 4.708 4.242 ( -1.191 0.351 -1.107) 1.663 4.314 ( 0.190 5.004 0.412) 5.025 4.407 ( -3.310 4.536 -5.339) 7.748 4.535 ( 1.360 1.372 1.557) 2.481 4.572 ( -1.785 2.127 -2.171) 3.525 4.645 ( 2.806 -2.430 1.960) 4.197 4.703 ( -0.248 -0.808 -3.432) 3.535 4.734 ( -3.413 -1.742 4.250) 5.723 4.810 ( 2.129 0.130 -2.647) 3.399 4.990 ( 0.937 4.524 -1.472) 4.848 4.996 ( -0.472 4.115 -1.640) 4.455 5.199 ( -0.578 -4.090 6.065) 7.338 5.212 ( -0.077 -4.349 4.282) 6.103 5.342 ( 0.218 -2.706 -4.196) 4.997 5.365 ( 1.191 -1.955 -5.043) 5.538 5.593 ( 0.063 0.317 4.754) 4.765 5.728 ( 0.611 -1.708 -7.706) 7.917 8.189 ( -0.602 -4.444 3.069) 5.434 8.280 ( 1.145 -6.315 -5.919) 8.731 8.615 ( 0.247 0.296 0.465) 0.604 8.627 ( -0.112 -0.099 -0.726) 0.742 9.114 ( 3.402 2.904 4.396) 6.272 9.182 ( -2.008 1.364 -2.560) 3.528 9.782 ( 0.510 -3.650 5.628) 6.727 9.971 ( -3.068 -9.383 -13.314) 16.575 11.535 ( 0.264 9.539 10.474) 14.169 11.683 ( -0.515 10.564 -3.646) 11.187 11.905 ( -3.108 0.188 9.968) 10.443 12.111 ( 3.660 -0.950 -9.884) 10.583 ======================= Grid point 149 (81/88) ======================= q-point: (-0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -6.418 5.313 12.313) 14.867 1.548 ( -2.057 7.252 -2.065) 7.816 1.731 ( -4.295 7.136 9.600) 12.709 1.811 ( -0.451 6.873 -10.968) 12.952 1.920 ( 3.912 -1.540 1.933) 4.627 2.015 ( 1.685 -1.629 -4.847) 5.384 2.104 ( 2.953 -3.599 4.038) 6.163 2.278 ( 1.301 -0.127 4.945) 5.115 2.313 ( 1.605 -5.187 -6.126) 8.186 2.370 ( 4.116 -5.804 1.586) 7.290 2.576 ( 1.336 -5.307 1.702) 5.731 2.719 ( 3.428 -7.066 -7.486) 10.850 2.828 ( -0.286 5.697 -1.953) 6.030 2.936 ( 0.468 0.132 2.053) 2.110 2.982 ( -3.767 -0.472 0.384) 3.815 3.088 ( -6.946 -0.404 1.595) 7.138 3.185 ( -0.010 -0.234 1.895) 1.910 3.260 ( -1.183 -3.020 2.515) 4.104 3.333 ( -7.600 2.214 5.798) 9.812 3.392 ( -0.184 1.276 -1.096) 1.692 3.500 ( -0.112 2.217 -0.513) 2.278 3.580 ( 0.069 1.338 4.279) 4.483 3.623 ( -2.780 -1.345 -0.727) 3.173 3.681 ( -0.299 6.129 -2.872) 6.775 3.682 ( -2.118 -0.210 -5.080) 5.508 3.740 ( 2.065 -2.683 -1.449) 3.683 3.846 ( 1.366 1.093 3.903) 4.278 3.958 ( 4.750 -0.529 1.296) 4.952 4.071 ( -1.526 -1.728 -2.651) 3.513 4.175 ( -1.089 0.408 0.731) 1.374 4.178 ( 2.302 0.181 -2.402) 3.331 4.271 ( -1.394 4.723 1.844) 5.259 4.313 ( 5.021 -0.863 0.003) 5.095 4.401 ( 1.718 5.721 2.713) 6.560 4.536 ( -1.235 2.128 -1.215) 2.744 4.567 ( 1.210 -0.192 1.094) 1.643 4.656 ( -1.953 -2.201 2.003) 3.560 4.670 ( -0.762 2.557 -4.461) 5.198 4.715 ( -0.944 1.001 3.622) 3.875 4.840 ( 1.610 -1.088 -1.626) 2.533 4.942 ( -2.699 5.638 -1.813) 6.508 5.003 ( -0.485 3.990 -1.602) 4.327 5.206 ( -0.224 -2.661 4.388) 5.137 5.235 ( 0.805 -4.695 2.142) 5.223 5.359 ( 2.579 -3.038 -2.902) 4.930 5.384 ( 2.112 -2.374 -3.536) 4.754 5.599 ( -0.976 -1.149 3.918) 4.198 5.713 ( 0.539 -2.416 -7.684) 8.073 8.188 ( -0.494 -4.405 2.976) 5.340 8.282 ( 1.084 -6.227 -5.845) 8.609 8.614 ( -0.122 -0.019 -0.148) 0.193 8.630 ( 0.191 -0.132 -0.244) 0.337 9.153 ( 0.432 3.161 -3.748) 4.922 9.225 ( 6.381 0.196 2.302) 6.786 9.765 ( -4.665 -4.673 3.421) 7.437 9.888 ( -1.635 -6.936 -4.168) 8.256 11.576 ( 0.423 9.709 9.922) 13.889 11.670 ( 0.677 10.464 -5.381) 11.786 11.868 ( -3.914 0.358 10.065) 10.805 12.132 ( 1.878 -1.157 -10.380) 10.612 ======================= Grid point 150 (82/88) ======================= q-point: (-0.17 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -2.261 8.210 14.525) 16.837 1.499 ( -1.784 10.494 0.444) 10.654 1.619 ( -6.625 7.648 3.369) 10.665 1.768 ( -0.550 9.395 -10.049) 13.768 2.030 ( 1.997 -8.950 -1.803) 9.346 2.062 ( 4.459 -3.018 3.746) 6.559 2.199 ( 6.655 -0.507 0.241) 6.679 2.296 ( -0.525 -2.951 5.424) 6.197 2.324 ( 1.827 -7.208 -4.338) 8.609 2.456 ( 3.438 -3.666 -0.113) 5.028 2.586 ( -0.599 -8.967 -1.517) 9.114 2.740 ( -1.594 -8.138 -4.165) 9.280 2.841 ( 3.033 4.394 0.418) 5.355 2.881 ( -4.077 8.221 5.837) 10.875 2.937 ( -2.526 -1.262 0.006) 2.823 3.047 ( 1.832 0.289 -2.209) 2.885 3.141 ( -5.202 2.487 5.285) 7.821 3.221 ( -3.063 -1.330 4.777) 5.828 3.254 ( -1.227 -1.557 2.922) 3.531 3.395 ( 0.104 1.339 -1.456) 1.981 3.441 ( -4.364 0.969 -8.633) 9.722 3.557 ( -3.260 1.668 -1.522) 3.965 3.589 ( -0.349 0.719 3.843) 3.925 3.670 ( 1.254 4.473 -0.858) 4.724 3.684 ( 2.379 0.022 -0.859) 2.530 3.784 ( 2.735 -0.259 -1.168) 2.985 3.875 ( 0.717 -0.598 0.175) 0.949 4.000 ( -2.758 -1.301 -2.192) 3.756 4.025 ( 0.359 -1.599 -2.201) 2.744 4.110 ( -4.292 -0.499 0.498) 4.350 4.223 ( 2.431 -2.751 0.276) 3.682 4.299 ( 1.078 0.793 0.308) 1.373 4.396 ( 3.592 2.555 -0.214) 4.414 4.463 ( 4.182 3.694 4.593) 7.227 4.533 ( 0.101 2.351 -0.379) 2.383 4.582 ( 0.508 1.620 -0.037) 1.698 4.629 ( -1.142 -1.114 0.532) 1.681 4.649 ( -1.283 2.190 0.969) 2.716 4.698 ( -0.833 4.712 2.278) 5.300 4.856 ( 0.335 -0.352 -0.509) 0.704 4.896 ( -1.303 5.988 -2.649) 6.676 4.971 ( -1.768 3.800 -2.965) 5.134 5.212 ( -0.871 -1.955 4.792) 5.248 5.258 ( 1.505 -3.454 -1.084) 3.921 5.395 ( 0.692 -4.327 0.772) 4.449 5.419 ( 2.521 -2.003 -2.119) 3.854 5.585 ( -1.393 -2.907 2.823) 4.285 5.704 ( 1.136 -3.687 -8.001) 8.883 8.190 ( -0.245 -4.130 2.894) 5.049 8.282 ( 0.745 -5.817 -5.508) 8.046 8.615 ( 0.341 -0.468 -0.388) 0.697 8.627 ( -0.387 -0.461 -0.066) 0.605 9.175 ( 3.047 3.421 -3.264) 5.625 9.315 ( 0.557 -2.331 -1.176) 2.669 9.710 ( 1.548 -2.344 0.807) 2.923 9.852 ( -2.866 -5.889 2.447) 6.991 11.599 ( -1.507 10.163 8.842) 13.555 11.680 ( 2.356 9.096 -5.782) 11.033 11.836 ( -2.428 0.821 10.463) 10.772 12.113 ( -0.346 -1.031 -10.355) 10.412 ======================= Grid point 151 (83/88) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 1.563 10.832 11.219) 15.673 1.638 ( -3.895 3.283 5.719) 7.659 1.752 ( 2.822 8.052 -0.225) 8.535 1.844 ( 2.545 -4.759 4.264) 6.878 1.899 ( -1.197 3.568 -10.492) 11.147 2.009 ( -2.180 -5.735 -9.175) 11.037 2.202 ( 0.174 0.451 2.617) 2.661 2.272 ( 1.113 -3.221 1.926) 3.915 2.289 ( 1.109 -1.683 0.925) 2.218 2.331 ( -1.873 -8.129 -3.362) 8.994 2.481 ( 3.501 -1.659 -1.627) 4.202 2.528 ( -1.374 -5.067 -5.704) 7.752 2.887 ( -2.303 1.721 4.800) 5.596 2.922 ( 1.360 -2.362 3.806) 4.681 2.983 ( 0.812 1.832 -4.137) 4.597 3.009 ( -1.433 -1.063 -3.701) 4.108 3.232 ( -1.120 3.579 5.009) 6.257 3.256 ( 0.554 5.095 7.454) 9.046 3.273 ( 0.639 2.913 1.671) 3.419 3.348 ( -1.843 -0.543 -2.428) 3.096 3.418 ( -1.726 2.455 5.252) 6.049 3.509 ( -1.149 -4.397 8.826) 9.927 3.643 ( 1.850 3.703 -9.055) 9.956 3.683 ( -0.220 -0.477 -4.568) 4.598 3.789 ( -1.760 0.736 3.556) 4.035 3.798 ( 1.809 0.782 4.325) 4.753 3.904 ( 0.406 2.025 -0.944) 2.271 3.940 ( 1.710 -0.640 -5.823) 6.102 3.995 ( -2.919 -1.428 -2.666) 4.204 3.999 ( 3.177 -3.498 -3.408) 5.826 4.188 ( -0.238 -1.626 0.257) 1.663 4.219 ( -0.753 -4.068 -2.366) 4.765 4.503 ( -2.025 1.505 1.043) 2.730 4.517 ( 3.224 0.653 -0.814) 3.389 4.569 ( 1.446 -0.331 1.973) 2.468 4.583 ( 0.163 -1.719 0.357) 1.763 4.694 ( -2.482 4.549 3.303) 6.145 4.704 ( 0.319 2.938 2.471) 3.852 4.783 ( -0.179 2.577 3.286) 4.180 4.829 ( -1.463 -1.317 -0.753) 2.108 4.996 ( 0.419 3.660 -0.482) 3.716 5.007 ( -0.811 2.562 -1.957) 3.324 5.181 ( -1.210 -0.481 5.245) 5.404 5.207 ( -1.039 -3.351 4.292) 5.544 5.362 ( 1.583 0.492 -4.513) 4.808 5.394 ( 1.133 -2.601 -5.949) 6.591 5.540 ( -0.520 1.253 0.872) 1.613 5.613 ( 1.461 -5.177 -5.150) 7.447 8.152 ( 0.169 -0.265 -0.452) 0.550 8.185 ( 0.568 -3.565 -3.696) 5.166 8.607 ( -0.291 -0.206 -0.116) 0.374 8.610 ( 0.260 -0.563 -0.433) 0.756 9.261 ( -2.981 1.524 -0.119) 3.350 9.268 ( 0.241 1.049 -0.977) 1.453 9.729 ( 0.562 -1.579 -0.664) 1.803 9.748 ( 5.017 -3.437 -2.350) 6.519 11.736 ( -3.252 7.140 8.693) 11.710 11.833 ( -1.271 -2.752 9.493) 9.966 11.886 ( 2.022 8.071 -5.309) 9.870 12.013 ( 0.045 -4.764 -7.372) 8.778 ======================= Grid point 152 (84/88) ======================= q-point: ( 0.17 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -1.091 7.411 5.925) 9.551 1.611 ( 0.534 4.386 9.498) 10.475 1.743 ( -1.617 8.401 -8.966) 12.393 1.842 ( -2.861 1.758 -0.981) 3.498 1.922 ( 1.108 -3.648 1.899) 4.260 1.964 ( 2.209 -9.146 -2.462) 9.726 2.215 ( -0.070 3.960 1.077) 4.105 2.253 ( -1.962 0.358 -5.060) 5.439 2.309 ( -0.256 -4.534 2.954) 5.417 2.320 ( 2.186 -3.064 -2.934) 4.773 2.481 ( -2.107 -1.207 -4.306) 4.944 2.556 ( 4.140 -9.352 -3.527) 10.818 2.866 ( -1.554 3.680 5.418) 6.732 2.939 ( -0.881 -2.811 4.839) 5.665 2.977 ( 0.499 0.725 -2.798) 2.933 2.990 ( 1.226 -0.612 -3.149) 3.434 3.193 ( -1.594 8.342 3.413) 9.153 3.271 ( -0.105 -0.586 -1.361) 1.485 3.290 ( -0.444 1.200 4.553) 4.729 3.350 ( -0.257 -3.954 2.217) 4.540 3.470 ( 4.729 4.246 6.371) 8.999 3.534 ( 0.405 -2.154 7.718) 8.023 3.645 ( 0.938 2.359 -7.020) 7.465 3.665 ( -0.617 0.115 -2.557) 2.633 3.767 ( -0.505 3.425 1.732) 3.871 3.824 ( -1.707 2.131 0.930) 2.884 3.872 ( 1.407 -0.822 -3.620) 3.969 3.927 ( -0.928 -4.027 -0.793) 4.208 4.031 ( 4.426 1.565 -3.802) 6.041 4.087 ( 4.624 -4.823 -0.155) 6.684 4.171 ( -0.673 -0.167 -0.818) 1.072 4.205 ( 0.148 -2.389 0.070) 2.395 4.465 ( -1.942 5.584 0.104) 5.913 4.569 ( 0.988 -2.467 -1.469) 3.036 4.580 ( -0.814 0.356 -1.076) 1.396 4.598 ( 1.160 -0.442 0.074) 1.243 4.628 ( -2.897 4.302 3.346) 6.173 4.703 ( -2.310 -0.479 4.060) 4.695 4.755 ( -3.311 1.548 1.622) 3.999 4.803 ( -1.313 -1.598 1.629) 2.633 4.992 ( 0.754 4.435 -1.394) 4.710 5.023 ( 1.793 1.488 0.081) 2.331 5.169 ( -1.655 -0.556 4.081) 4.439 5.187 ( -2.415 -2.730 5.336) 6.462 5.363 ( 0.119 -0.640 -5.822) 5.859 5.373 ( -1.153 -2.053 -5.486) 5.970 5.557 ( 1.837 2.762 1.073) 3.486 5.641 ( 2.988 -4.951 -5.487) 7.971 8.149 ( -0.218 -0.319 -0.585) 0.702 8.183 ( 0.424 -3.624 -3.726) 5.215 8.605 ( 0.111 0.246 -0.030) 0.272 8.617 ( 0.432 -0.912 -0.276) 1.046 9.194 ( -3.578 3.855 1.825) 5.567 9.249 ( -2.090 -1.755 1.174) 2.971 9.746 ( 1.846 2.134 -4.115) 4.990 9.833 ( 4.520 -6.887 -6.521) 10.507 11.702 ( -3.079 8.459 9.693) 13.228 11.827 ( -2.789 -3.678 10.564) 11.528 11.915 ( 2.727 6.205 -5.804) 8.923 12.010 ( 1.808 -3.240 -6.235) 7.255 ======================= Grid point 153 (85/88) ======================= q-point: ( 0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -1.088 6.519 5.719) 8.740 1.662 ( 0.690 4.450 7.640) 8.869 1.689 ( -0.266 2.150 -10.425) 10.648 1.772 ( -1.863 -1.338 2.693) 3.538 1.954 ( 1.777 -1.090 1.891) 2.815 2.018 ( 1.819 -8.191 3.421) 9.061 2.150 ( -4.775 4.689 -8.693) 10.971 2.210 ( -2.151 2.938 -1.570) 3.966 2.319 ( 0.531 -2.794 0.761) 2.944 2.349 ( -0.163 -3.341 -0.994) 3.490 2.427 ( -0.849 3.022 -1.690) 3.565 2.579 ( 0.174 -9.687 -5.518) 11.149 2.872 ( 0.562 4.376 4.812) 6.529 2.961 ( 0.875 -3.677 5.344) 6.545 3.008 ( 2.555 1.830 -3.243) 4.516 3.029 ( 4.315 -0.307 -1.986) 4.760 3.204 ( 1.985 5.095 -0.680) 5.510 3.253 ( -1.665 -0.661 -0.550) 1.874 3.278 ( -2.050 -0.777 6.495) 6.855 3.351 ( 0.375 -5.952 -0.296) 5.971 3.559 ( 0.945 1.111 5.555) 5.743 3.573 ( 1.976 -0.536 2.332) 3.104 3.636 ( -0.241 1.249 -1.021) 1.631 3.660 ( 1.021 -0.203 0.709) 1.260 3.773 ( 0.049 5.701 -1.080) 5.802 3.791 ( -0.220 4.909 -1.593) 5.165 3.883 ( -0.642 -1.496 -0.652) 1.754 3.938 ( 1.426 -6.175 0.235) 6.342 4.076 ( 2.197 3.768 -0.804) 4.436 4.123 ( 1.093 -1.344 0.067) 1.734 4.191 ( -0.333 1.242 1.743) 2.165 4.230 ( 1.284 -2.135 0.314) 2.511 4.423 ( -1.719 7.312 -0.415) 7.523 4.518 ( -1.187 -0.949 0.191) 1.532 4.560 ( -2.613 2.333 -0.322) 3.517 4.604 ( -0.949 0.788 1.888) 2.255 4.627 ( -1.374 -3.454 -0.245) 3.726 4.661 ( -1.721 -0.956 3.194) 3.752 4.716 ( -0.535 0.516 0.647) 0.986 4.779 ( -0.889 -3.035 -0.675) 3.234 5.022 ( 2.389 3.955 -0.844) 4.697 5.057 ( 1.630 0.894 -0.919) 2.074 5.148 ( -1.647 -0.583 3.533) 3.942 5.161 ( -1.792 -2.006 4.340) 5.105 5.330 ( -1.237 -1.148 -4.620) 4.919 5.340 ( -0.410 -1.691 -4.862) 5.164 5.600 ( 2.062 3.251 0.332) 3.864 5.675 ( 2.138 -3.857 -5.322) 6.912 8.143 ( -0.191 -0.379 -0.632) 0.761 8.178 ( 0.408 -3.848 -3.933) 5.517 8.611 ( 0.467 0.387 0.010) 0.606 8.622 ( 0.215 -0.755 -0.202) 0.811 9.155 ( -1.155 3.922 2.674) 4.886 9.213 ( -1.836 -1.983 1.163) 2.942 9.759 ( 0.682 2.584 -3.896) 4.725 9.858 ( 0.552 -7.642 -8.369) 11.346 11.691 ( -1.512 8.636 11.126) 14.165 11.810 ( -2.126 -2.167 9.754) 10.216 11.940 ( 1.480 4.860 -4.544) 6.816 12.032 ( 2.557 -3.462 -7.165) 8.358 ======================= Grid point 154 (86/88) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -5.267 7.545 6.825) 11.457 1.668 ( 0.847 -0.890 -5.816) 5.944 1.723 ( 2.612 3.040 7.491) 8.496 1.799 ( 2.134 -1.478 0.940) 2.761 1.987 ( 1.327 -1.311 -2.630) 3.224 2.007 ( -4.410 -1.738 -1.445) 4.956 2.076 ( 0.185 1.555 0.633) 1.689 2.155 ( -0.364 -3.815 -2.235) 4.437 2.325 ( 0.767 3.323 -0.026) 3.411 2.336 ( -0.471 5.041 -0.382) 5.078 2.445 ( 1.166 -3.328 1.200) 3.725 2.554 ( -0.126 -9.208 -7.870) 12.113 2.911 ( 1.792 3.701 3.844) 5.629 2.960 ( -1.635 1.927 1.789) 3.096 3.032 ( -0.249 0.206 -0.442) 0.548 3.100 ( 2.586 -2.845 -3.681) 5.323 3.174 ( -4.792 0.127 4.726) 6.732 3.209 ( -3.489 -3.246 4.147) 6.318 3.331 ( 5.877 1.836 -3.499) 7.082 3.399 ( 6.297 -3.585 -7.222) 10.231 3.562 ( -0.815 -1.110 2.853) 3.168 3.565 ( -3.305 -0.923 1.887) 3.916 3.647 ( 0.712 2.048 3.884) 4.448 3.678 ( -0.503 -1.320 0.892) 1.671 3.770 ( -0.708 4.476 0.045) 4.532 3.789 ( -0.539 2.817 -2.291) 3.671 3.875 ( 0.963 3.187 4.582) 5.664 3.936 ( -2.288 -2.215 -0.422) 3.212 4.120 ( -3.873 2.013 3.307) 5.476 4.140 ( 1.568 2.545 1.592) 3.387 4.164 ( -0.669 -0.754 1.322) 1.662 4.212 ( 1.884 -2.534 -2.699) 4.154 4.445 ( 1.874 6.646 2.053) 7.204 4.494 ( -2.624 4.557 -2.395) 5.778 4.553 ( -3.807 -2.239 3.050) 5.367 4.561 ( 3.826 -2.574 0.928) 4.704 4.596 ( -1.434 -0.024 2.055) 2.506 4.660 ( -0.140 -4.085 2.735) 4.918 4.721 ( 1.084 1.939 -2.708) 3.502 4.783 ( 1.679 -3.049 -3.403) 4.868 5.060 ( 1.418 2.362 -0.984) 2.925 5.064 ( -0.618 2.142 -1.349) 2.606 5.141 ( -0.058 -1.392 2.787) 3.116 5.150 ( -0.486 -2.098 3.059) 3.741 5.307 ( 0.340 -0.358 -3.570) 3.604 5.327 ( 0.641 -1.894 -4.138) 4.596 5.623 ( 0.136 2.658 0.122) 2.664 5.682 ( 0.286 -2.994 -4.905) 5.753 8.139 ( -0.002 -0.414 -0.522) 0.666 8.175 ( 0.709 -3.993 -4.079) 5.752 8.619 ( 0.215 0.137 -0.014) 0.256 8.623 ( 0.048 -0.274 -0.413) 0.498 9.169 ( 1.739 2.394 2.272) 3.730 9.195 ( -0.081 -0.218 -0.390) 0.454 9.748 ( -0.982 0.581 -0.431) 1.220 9.814 ( -1.982 -6.186 -6.970) 9.528 11.710 ( -0.539 7.918 11.376) 13.871 11.809 ( -1.252 -0.641 8.414) 8.531 11.938 ( -0.256 5.568 -3.867) 6.784 12.055 ( 2.383 -4.904 -8.613) 10.193 ======================= Grid point 155 (87/88) ======================= q-point: (-0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -3.061 10.648 9.600) 14.660 1.678 ( 1.334 -2.545 -2.211) 3.625 1.714 ( -3.036 -0.200 2.315) 3.823 1.846 ( -2.126 -6.332 -2.571) 7.157 1.944 ( 3.311 7.639 3.090) 8.881 2.009 ( 0.987 1.607 -3.418) 3.903 2.117 ( 3.277 1.632 -0.932) 3.778 2.193 ( 2.531 -6.422 2.552) 7.359 2.309 ( -1.861 3.419 -2.187) 4.465 2.365 ( 3.518 4.575 -0.592) 5.801 2.444 ( -1.923 -6.275 1.450) 6.721 2.545 ( 1.985 -9.639 -7.242) 12.219 2.918 ( -2.967 2.787 2.866) 4.979 2.947 ( -0.471 -0.285 2.860) 2.912 2.999 ( -1.383 3.629 -3.788) 5.425 3.082 ( -1.576 -2.161 -4.436) 5.180 3.128 ( -1.069 -0.910 3.927) 4.170 3.186 ( -0.065 -4.284 4.458) 6.183 3.417 ( 1.920 2.198 -7.061) 7.640 3.432 ( -1.947 3.166 2.085) 4.261 3.506 ( -3.024 0.671 4.313) 5.310 3.571 ( 0.008 -3.102 1.050) 3.275 3.660 ( -0.000 0.568 -0.816) 0.994 3.672 ( 0.375 -1.827 -1.021) 2.126 3.733 ( -1.600 6.908 -0.072) 7.091 3.790 ( 1.807 2.446 0.485) 3.080 3.849 ( -3.674 1.194 2.433) 4.565 3.937 ( 0.063 -4.604 1.092) 4.732 4.045 ( -2.995 1.358 0.837) 3.393 4.107 ( -0.145 -4.211 2.219) 4.762 4.208 ( 0.030 2.708 -1.273) 2.993 4.273 ( 1.492 -3.313 -1.342) 3.874 4.414 ( -0.466 7.193 -0.067) 7.209 4.485 ( -0.609 1.214 3.437) 3.696 4.551 ( 1.451 -0.775 0.900) 1.875 4.579 ( -1.274 -0.169 2.487) 2.800 4.621 ( 2.571 1.252 1.029) 3.039 4.687 ( 1.513 -1.561 2.750) 3.505 4.743 ( 2.054 2.805 -2.608) 4.346 4.805 ( 1.721 -2.682 -2.562) 4.088 5.035 ( -1.575 3.409 -1.643) 4.099 5.061 ( -0.716 1.102 -1.612) 2.080 5.160 ( 1.263 -1.761 1.776) 2.802 5.163 ( 0.406 -2.148 3.703) 4.301 5.318 ( 1.697 -0.418 -2.962) 3.439 5.340 ( 2.069 -2.101 -4.356) 5.261 5.606 ( -1.914 1.832 0.383) 2.677 5.658 ( -1.037 -3.130 -4.756) 5.787 8.140 ( 0.299 -0.245 -0.515) 0.644 8.179 ( 0.968 -4.040 -3.912) 5.707 8.615 ( -0.306 0.238 -0.357) 0.527 8.623 ( -0.106 -0.493 -0.325) 0.600 9.207 ( 1.751 2.106 -2.311) 3.583 9.228 ( 3.690 -0.168 0.270) 3.703 9.715 ( -2.648 -0.097 1.494) 3.042 9.765 ( -1.441 -4.999 -1.380) 5.383 11.736 ( -0.488 6.549 10.177) 12.111 11.814 ( -0.848 -0.169 7.574) 7.623 11.911 ( -1.051 7.676 -4.492) 8.956 12.062 ( 1.203 -6.180 -8.687) 10.729 ======================= Grid point 156 (88/88) ======================= q-point: (-0.17 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.042 12.152 11.378) 16.647 1.679 ( -1.647 3.620 4.542) 6.037 1.703 ( 1.424 -1.382 -1.280) 2.361 1.798 ( -0.153 -4.509 1.498) 4.754 1.972 ( -1.469 5.725 -10.152) 11.747 2.037 ( 1.859 -0.750 -0.501) 2.066 2.176 ( 2.859 -0.538 -0.974) 3.068 2.234 ( 1.429 -3.836 2.211) 4.652 2.274 ( -0.666 1.972 0.115) 2.085 2.390 ( -3.014 -9.776 -0.426) 10.238 2.434 ( 2.727 2.707 -1.268) 4.046 2.558 ( 0.695 -9.035 -5.839) 10.780 2.887 ( -0.372 1.968 3.652) 4.165 2.923 ( -2.320 -1.399 2.657) 3.795 2.981 ( 0.750 3.149 -4.678) 5.689 3.046 ( -1.200 -3.022 -4.597) 5.630 3.158 ( 2.945 3.314 3.912) 5.912 3.218 ( 1.900 -2.310 2.981) 4.223 3.332 ( -6.578 7.236 9.340) 13.523 3.422 ( -2.396 -2.235 -2.183) 3.937 3.450 ( -3.426 4.253 1.984) 5.810 3.539 ( -3.899 -3.321 6.941) 8.626 3.644 ( 0.471 3.520 -7.850) 8.616 3.688 ( 2.215 -0.623 -4.712) 5.244 3.754 ( 1.517 4.108 1.953) 4.795 3.802 ( -1.343 1.222 2.359) 2.977 3.847 ( 3.122 -0.792 -0.509) 3.261 3.921 ( 0.556 -6.319 0.000) 6.343 4.025 ( -1.527 2.285 -2.640) 3.811 4.088 ( -4.260 -3.001 -0.602) 5.245 4.178 ( 0.457 0.789 -1.341) 1.621 4.248 ( -1.646 -5.118 -3.279) 6.297 4.451 ( 2.995 4.176 0.974) 5.231 4.522 ( 2.033 -0.705 3.685) 4.267 4.549 ( -1.956 0.155 1.507) 2.474 4.576 ( 0.425 -1.249 2.115) 2.493 4.664 ( 1.729 4.479 0.755) 4.860 4.715 ( 0.213 1.358 2.772) 3.094 4.767 ( 0.943 3.557 0.347) 3.696 4.834 ( 1.305 -2.123 -0.806) 2.619 5.003 ( -0.904 4.240 -2.169) 4.848 5.035 ( -1.240 1.533 -1.754) 2.639 5.178 ( -0.262 -1.130 5.157) 5.286 5.193 ( 1.208 -2.721 2.171) 3.685 5.342 ( 1.674 -0.311 -2.691) 3.185 5.372 ( 2.737 -2.588 -5.437) 6.615 5.565 ( -2.164 1.175 0.558) 2.525 5.623 ( -0.676 -4.193 -4.918) 6.498 8.146 ( 0.484 -0.154 -0.494) 0.708 8.184 ( 0.824 -3.841 -3.734) 5.420 8.610 ( -0.103 0.005 -0.432) 0.445 8.616 ( -0.460 -0.591 -0.260) 0.793 9.241 ( 2.508 3.088 -2.875) 4.908 9.284 ( 1.625 -1.465 -1.668) 2.751 9.688 ( 0.236 0.552 1.562) 1.673 9.742 ( -1.307 -4.812 1.685) 5.263 11.751 ( -1.230 5.728 8.708) 10.496 11.825 ( -0.997 -1.669 9.343) 9.543 11.881 ( 0.164 9.921 -6.280) 11.743 12.044 ( -0.205 -6.233 -8.062) 10.193 =================== 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 3/17640 10.0 576.999 640.218 503.025 0.000 -130.532 0.000 3/17640 20.0 97.607 140.411 95.783 0.000 -22.203 0.000 3/17640 30.0 34.496 54.553 37.079 0.000 -8.244 0.000 3/17640 40.0 18.246 29.660 20.561 0.000 -4.441 0.000 3/17640 50.0 11.985 19.601 13.869 0.000 -2.930 0.000 3/17640 60.0 8.882 14.509 10.447 0.000 -2.170 0.000 3/17640 70.0 7.069 11.510 8.405 0.000 -1.722 0.000 3/17640 80.0 5.886 9.550 7.052 0.000 -1.429 0.000 3/17640 90.0 5.053 8.172 6.090 0.000 -1.223 0.000 3/17640 100.0 4.433 7.151 5.368 0.000 -1.069 0.000 3/17640 110.0 3.954 6.364 4.806 0.000 -0.950 0.000 3/17640 120.0 3.572 5.737 4.355 0.000 -0.856 0.000 3/17640 130.0 3.259 5.227 3.985 0.000 -0.779 0.000 3/17640 140.0 2.999 4.803 3.675 0.000 -0.715 0.000 3/17640 150.0 2.778 4.445 3.411 0.000 -0.661 0.000 3/17640 160.0 2.589 4.138 3.185 0.000 -0.614 0.000 3/17640 170.0 2.425 3.872 2.987 0.000 -0.574 0.000 3/17640 180.0 2.280 3.639 2.814 0.000 -0.539 0.000 3/17640 190.0 2.153 3.434 2.660 0.000 -0.508 0.000 3/17640 200.0 2.039 3.251 2.522 0.000 -0.481 0.000 3/17640 210.0 1.937 3.087 2.398 0.000 -0.456 0.000 3/17640 220.0 1.845 2.939 2.287 0.000 -0.434 0.000 3/17640 230.0 1.762 2.805 2.185 0.000 -0.414 0.000 3/17640 240.0 1.686 2.683 2.092 0.000 -0.396 0.000 3/17640 250.0 1.616 2.571 2.007 0.000 -0.379 0.000 3/17640 260.0 1.552 2.469 1.929 0.000 -0.364 0.000 3/17640 270.0 1.493 2.374 1.856 0.000 -0.350 0.000 3/17640 280.0 1.438 2.287 1.789 0.000 -0.337 0.000 3/17640 290.0 1.388 2.206 1.727 0.000 -0.325 0.000 3/17640 300.0 1.340 2.130 1.669 0.000 -0.314 0.000 3/17640 310.0 1.296 2.060 1.615 0.000 -0.303 0.000 3/17640 320.0 1.255 1.994 1.564 0.000 -0.293 0.000 3/17640 330.0 1.216 1.932 1.516 0.000 -0.284 0.000 3/17640 340.0 1.180 1.875 1.471 0.000 -0.276 0.000 3/17640 350.0 1.146 1.820 1.429 0.000 -0.267 0.000 3/17640 360.0 1.114 1.769 1.389 0.000 -0.260 0.000 3/17640 370.0 1.083 1.720 1.352 0.000 -0.253 0.000 3/17640 380.0 1.054 1.674 1.316 0.000 -0.246 0.000 3/17640 390.0 1.027 1.631 1.282 0.000 -0.239 0.000 3/17640 400.0 1.001 1.589 1.250 0.000 -0.233 0.000 3/17640 410.0 0.977 1.550 1.220 0.000 -0.228 0.000 3/17640 420.0 0.953 1.513 1.191 0.000 -0.222 0.000 3/17640 430.0 0.931 1.477 1.163 0.000 -0.217 0.000 3/17640 440.0 0.910 1.443 1.136 0.000 -0.212 0.000 3/17640 450.0 0.889 1.411 1.111 0.000 -0.207 0.000 3/17640 460.0 0.870 1.380 1.087 0.000 -0.203 0.000 3/17640 470.0 0.851 1.350 1.064 0.000 -0.198 0.000 3/17640 480.0 0.833 1.322 1.042 0.000 -0.194 0.000 3/17640 490.0 0.816 1.295 1.021 0.000 -0.190 0.000 3/17640 500.0 0.800 1.269 1.000 0.000 -0.186 0.000 3/17640 510.0 0.784 1.244 0.981 0.000 -0.182 0.000 3/17640 520.0 0.769 1.220 0.962 0.000 -0.179 0.000 3/17640 530.0 0.754 1.197 0.944 0.000 -0.176 0.000 3/17640 540.0 0.740 1.174 0.926 0.000 -0.172 0.000 3/17640 550.0 0.727 1.153 0.909 0.000 -0.169 0.000 3/17640 560.0 0.714 1.132 0.893 0.000 -0.166 0.000 3/17640 570.0 0.701 1.112 0.878 0.000 -0.163 0.000 3/17640 580.0 0.689 1.093 0.862 0.000 -0.160 0.000 3/17640 590.0 0.678 1.074 0.848 0.000 -0.158 0.000 3/17640 600.0 0.666 1.056 0.834 0.000 -0.155 0.000 3/17640 610.0 0.655 1.039 0.820 0.000 -0.152 0.000 3/17640 620.0 0.645 1.022 0.807 0.000 -0.150 0.000 3/17640 630.0 0.634 1.006 0.794 0.000 -0.147 0.000 3/17640 640.0 0.625 0.990 0.782 0.000 -0.145 0.000 3/17640 650.0 0.615 0.975 0.770 0.000 -0.143 0.000 3/17640 660.0 0.606 0.960 0.758 0.000 -0.141 0.000 3/17640 670.0 0.597 0.946 0.747 0.000 -0.139 0.000 3/17640 680.0 0.588 0.932 0.736 0.000 -0.137 0.000 3/17640 690.0 0.579 0.918 0.725 0.000 -0.135 0.000 3/17640 700.0 0.571 0.905 0.715 0.000 -0.133 0.000 3/17640 710.0 0.563 0.892 0.705 0.000 -0.131 0.000 3/17640 720.0 0.555 0.880 0.695 0.000 -0.129 0.000 3/17640 730.0 0.547 0.868 0.686 0.000 -0.127 0.000 3/17640 740.0 0.540 0.856 0.676 0.000 -0.125 0.000 3/17640 750.0 0.533 0.845 0.667 0.000 -0.124 0.000 3/17640 760.0 0.526 0.834 0.659 0.000 -0.122 0.000 3/17640 770.0 0.519 0.823 0.650 0.000 -0.121 0.000 3/17640 780.0 0.512 0.812 0.642 0.000 -0.119 0.000 3/17640 790.0 0.506 0.802 0.634 0.000 -0.117 0.000 3/17640 800.0 0.500 0.792 0.626 0.000 -0.116 0.000 3/17640 810.0 0.493 0.782 0.618 0.000 -0.115 0.000 3/17640 820.0 0.487 0.772 0.611 0.000 -0.113 0.000 3/17640 830.0 0.482 0.763 0.603 0.000 -0.112 0.000 3/17640 840.0 0.476 0.754 0.596 0.000 -0.110 0.000 3/17640 850.0 0.470 0.745 0.589 0.000 -0.109 0.000 3/17640 860.0 0.465 0.737 0.582 0.000 -0.108 0.000 3/17640 870.0 0.459 0.728 0.576 0.000 -0.107 0.000 3/17640 880.0 0.454 0.720 0.569 0.000 -0.105 0.000 3/17640 890.0 0.449 0.712 0.563 0.000 -0.104 0.000 3/17640 900.0 0.444 0.704 0.556 0.000 -0.103 0.000 3/17640 910.0 0.439 0.696 0.550 0.000 -0.102 0.000 3/17640 920.0 0.434 0.688 0.544 0.000 -0.101 0.000 3/17640 930.0 0.430 0.681 0.539 0.000 -0.100 0.000 3/17640 940.0 0.425 0.674 0.533 0.000 -0.099 0.000 3/17640 950.0 0.421 0.667 0.527 0.000 -0.098 0.000 3/17640 960.0 0.416 0.660 0.522 0.000 -0.097 0.000 3/17640 970.0 0.412 0.653 0.516 0.000 -0.096 0.000 3/17640 980.0 0.408 0.646 0.511 0.000 -0.095 0.000 3/17640 990.0 0.404 0.640 0.506 0.000 -0.094 0.000 3/17640 1000.0 0.400 0.633 0.501 0.000 -0.093 0.000 3/17640 Thermal conductivity related properties were written into "kappa-m677.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:17:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|