----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:51:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.248351480020113 0.000000000000000 0.000000000000000 b 0.000000000000000 5.351123759999999 0.000000000000000 c -5.234706669324998 0.000000000000000 7.455080977804070 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 *3 F 0.65905250690440 0.97896176307266 0.23670987559380 18.998 4 F 0.65905250690440 0.52103823692734 0.73670987559380 18.998 5 F 0.34094749309560 0.02103823692734 0.76329012440620 18.998 6 F 0.34094749309560 0.47896176307266 0.26329012440619 18.998 *7 F 0.81660721350385 0.80490662119234 0.03855473907691 18.998 *8 F 0.26663133123429 0.77694005609862 0.45798268157601 18.998 9 F 0.18339278649616 0.19509337880766 0.96144526092309 18.998 10 F 0.81660721350385 0.69509337880766 0.53855473907691 18.998 11 F 0.18339278649616 0.30490662119234 0.46144526092309 18.998 12 F 0.73336866876571 0.22305994390138 0.54201731842399 18.998 13 F 0.26663133123429 0.72305994390138 0.95798268157601 18.998 14 F 0.73336866876571 0.27694005609862 0.04201731842399 18.998 *15 Na 0.24015743717324 0.04346481635637 0.24977979371412 22.990 16 Na 0.75984256282676 0.95653518364363 0.75022020628588 22.990 17 Na 0.24015743717324 0.45653518364363 0.74977979371412 22.990 18 Na 0.75984256282676 0.54346481635637 0.25022020628588 22.990 *19 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 20 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.248351480020113 0.000000000000000 0.000000000000000 b 0.000000000000000 5.351123759999999 0.000000000000000 c -5.234706669324998 0.000000000000000 7.455080977804070 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 2 *3 F 0.65905250690440 0.97896176307266 0.23670987559380 18.998 > 3 4 F 0.65905250690440 0.52103823692734 0.73670987559380 18.998 > 4 5 F 0.34094749309560 0.02103823692734 0.76329012440620 18.998 > 5 6 F 0.34094749309560 0.47896176307266 0.26329012440619 18.998 > 6 *7 F 0.81660721350385 0.80490662119234 0.03855473907691 18.998 > 7 *8 F 0.26663133123429 0.77694005609862 0.45798268157601 18.998 > 8 9 F 0.18339278649616 0.19509337880766 0.96144526092309 18.998 > 9 10 F 0.81660721350385 0.69509337880766 0.53855473907691 18.998 > 10 11 F 0.18339278649616 0.30490662119234 0.46144526092309 18.998 > 11 12 F 0.73336866876571 0.22305994390138 0.54201731842399 18.998 > 12 13 F 0.26663133123429 0.72305994390138 0.95798268157601 18.998 > 13 14 F 0.73336866876571 0.27694005609862 0.04201731842399 18.998 > 14 *15 Na 0.24015743717324 0.04346481635637 0.24977979371412 22.990 > 15 16 Na 0.75984256282676 0.95653518364363 0.75022020628588 22.990 > 16 17 Na 0.24015743717324 0.45653518364363 0.74977979371412 22.990 > 17 18 Na 0.75984256282676 0.54346481635637 0.25022020628588 22.990 > 18 *19 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 19 20 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.496702960040226 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702247519999998 0.000000000000000 c -5.234706669324998 0.000000000000000 7.455080977804070 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 2 6 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 2 7 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 2 8 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 2 *9 F 0.32952625345220 0.48948088153633 0.23670987559380 18.998 > 3 10 F 0.82952625345220 0.48948088153633 0.23670987559380 18.998 > 3 11 F 0.32952625345220 0.98948088153633 0.23670987559380 18.998 > 3 12 F 0.82952625345220 0.98948088153633 0.23670987559380 18.998 > 3 13 F 0.32952625345220 0.26051911846367 0.73670987559380 18.998 > 4 14 F 0.82952625345220 0.26051911846367 0.73670987559380 18.998 > 4 15 F 0.32952625345220 0.76051911846367 0.73670987559380 18.998 > 4 16 F 0.82952625345220 0.76051911846367 0.73670987559380 18.998 > 4 17 F 0.17047374654780 0.01051911846367 0.76329012440620 18.998 > 5 18 F 0.67047374654780 0.01051911846367 0.76329012440620 18.998 > 5 19 F 0.17047374654780 0.51051911846367 0.76329012440620 18.998 > 5 20 F 0.67047374654780 0.51051911846367 0.76329012440620 18.998 > 5 21 F 0.17047374654780 0.23948088153633 0.26329012440619 18.998 > 6 22 F 0.67047374654780 0.23948088153633 0.26329012440619 18.998 > 6 23 F 0.17047374654780 0.73948088153633 0.26329012440619 18.998 > 6 24 F 0.67047374654780 0.73948088153633 0.26329012440619 18.998 > 6 *25 F 0.40830360675192 0.40245331059617 0.03855473907691 18.998 > 7 26 F 0.90830360675192 0.40245331059617 0.03855473907691 18.998 > 7 27 F 0.40830360675192 0.90245331059617 0.03855473907691 18.998 > 7 28 F 0.90830360675192 0.90245331059617 0.03855473907691 18.998 > 7 *29 F 0.13331566561715 0.38847002804931 0.45798268157601 18.998 > 8 30 F 0.63331566561715 0.38847002804931 0.45798268157601 18.998 > 8 31 F 0.13331566561715 0.88847002804931 0.45798268157601 18.998 > 8 32 F 0.63331566561715 0.88847002804931 0.45798268157601 18.998 > 8 33 F 0.09169639324808 0.09754668940383 0.96144526092309 18.998 > 9 34 F 0.59169639324808 0.09754668940383 0.96144526092309 18.998 > 9 35 F 0.09169639324808 0.59754668940383 0.96144526092309 18.998 > 9 36 F 0.59169639324808 0.59754668940383 0.96144526092309 18.998 > 9 37 F 0.40830360675192 0.34754668940383 0.53855473907691 18.998 > 10 38 F 0.90830360675192 0.34754668940383 0.53855473907691 18.998 > 10 39 F 0.40830360675192 0.84754668940383 0.53855473907691 18.998 > 10 40 F 0.90830360675192 0.84754668940383 0.53855473907691 18.998 > 10 41 F 0.09169639324808 0.15245331059617 0.46144526092309 18.998 > 11 42 F 0.59169639324808 0.15245331059617 0.46144526092309 18.998 > 11 43 F 0.09169639324808 0.65245331059617 0.46144526092309 18.998 > 11 44 F 0.59169639324808 0.65245331059617 0.46144526092309 18.998 > 11 45 F 0.36668433438285 0.11152997195069 0.54201731842399 18.998 > 12 46 F 0.86668433438285 0.11152997195069 0.54201731842399 18.998 > 12 47 F 0.36668433438285 0.61152997195069 0.54201731842399 18.998 > 12 48 F 0.86668433438285 0.61152997195069 0.54201731842399 18.998 > 12 49 F 0.13331566561715 0.36152997195069 0.95798268157601 18.998 > 13 50 F 0.63331566561715 0.36152997195069 0.95798268157601 18.998 > 13 51 F 0.13331566561715 0.86152997195069 0.95798268157601 18.998 > 13 52 F 0.63331566561715 0.86152997195069 0.95798268157601 18.998 > 13 53 F 0.36668433438285 0.13847002804931 0.04201731842399 18.998 > 14 54 F 0.86668433438285 0.13847002804931 0.04201731842399 18.998 > 14 55 F 0.36668433438285 0.63847002804931 0.04201731842399 18.998 > 14 56 F 0.86668433438285 0.63847002804931 0.04201731842399 18.998 > 14 *57 Na 0.12007871858662 0.02173240817818 0.24977979371412 22.990 > 15 58 Na 0.62007871858662 0.02173240817818 0.24977979371412 22.990 > 15 59 Na 0.12007871858662 0.52173240817818 0.24977979371412 22.990 > 15 60 Na 0.62007871858662 0.52173240817818 0.24977979371412 22.990 > 15 61 Na 0.37992128141338 0.47826759182182 0.75022020628588 22.990 > 16 62 Na 0.87992128141338 0.47826759182182 0.75022020628588 22.990 > 16 63 Na 0.37992128141338 0.97826759182182 0.75022020628588 22.990 > 16 64 Na 0.87992128141338 0.97826759182182 0.75022020628588 22.990 > 16 65 Na 0.12007871858662 0.22826759182182 0.74977979371412 22.990 > 17 66 Na 0.62007871858662 0.22826759182182 0.74977979371412 22.990 > 17 67 Na 0.12007871858662 0.72826759182182 0.74977979371412 22.990 > 17 68 Na 0.62007871858662 0.72826759182182 0.74977979371412 22.990 > 17 69 Na 0.37992128141338 0.27173240817818 0.25022020628588 22.990 > 18 70 Na 0.87992128141338 0.27173240817818 0.25022020628588 22.990 > 18 71 Na 0.37992128141338 0.77173240817818 0.25022020628588 22.990 > 18 72 Na 0.87992128141338 0.77173240817818 0.25022020628588 22.990 > 18 *73 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 19 74 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 19 75 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 19 76 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 19 77 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 20 78 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 20 79 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 20 80 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9727113 0.0000000 0.0013254 0.0000000 1.9716892 0.0000000 0.0013252 0.0000000 1.9723071 -------------------------- Born effective charges -------------------------- 1 Li 1.1002269 0.0207383 -0.0271247 -0.0160994 1.1049208 0.0060080 0.0228289 0.0133730 1.1058122 2 Li 1.1002269 -0.0207383 -0.0271247 0.0160994 1.1049208 -0.0060080 0.0228289 -0.0133730 1.1058122 3 F -0.8658656 0.0023973 0.0668750 0.0096832 -0.8372002 0.0221436 0.0657858 0.0209602 -1.2608393 4 F -0.8658656 -0.0023973 0.0668750 -0.0096832 -0.8372002 -0.0221436 0.0657858 -0.0209602 -1.2608393 5 F -0.8658656 0.0023973 0.0668750 0.0096832 -0.8372002 0.0221436 0.0657858 0.0209602 -1.2608393 6 F -0.8658656 -0.0023973 0.0668750 -0.0096832 -0.8372002 -0.0221436 0.0657858 -0.0209602 -1.2608393 7 F -1.1050437 0.2002254 -0.0236876 0.2013156 -1.0114728 0.0292216 -0.0260891 0.0291189 -0.8561802 8 F -0.9980260 0.1984173 -0.0479580 0.1997143 -1.1193770 0.0487766 -0.0481339 0.0446708 -0.8593632 9 F -1.1050437 0.2002254 -0.0236876 0.2013156 -1.0114728 0.0292216 -0.0260891 0.0291189 -0.8561802 10 F -1.1050437 -0.2002254 -0.0236876 -0.2013156 -1.0114728 -0.0292216 -0.0260891 -0.0291189 -0.8561802 11 F -1.1050437 -0.2002254 -0.0236876 -0.2013156 -1.0114728 -0.0292216 -0.0260891 -0.0291189 -0.8561802 12 F -0.9980260 0.1984173 -0.0479580 0.1997143 -1.1193770 0.0487766 -0.0481339 0.0446708 -0.8593632 13 F -0.9980260 -0.1984173 -0.0479580 -0.1997143 -1.1193770 -0.0487766 -0.0481339 -0.0446708 -0.8593632 14 F -0.9980260 -0.1984173 -0.0479580 -0.1997143 -1.1193770 -0.0487766 -0.0481339 -0.0446708 -0.8593632 15 Na 1.0768484 0.0051410 0.0058626 0.0086303 1.0748627 0.0093362 -0.0017916 0.0136811 1.0841063 16 Na 1.0768484 0.0051410 0.0058626 0.0086303 1.0748627 0.0093362 -0.0017916 0.0136811 1.0841063 17 Na 1.0768484 -0.0051410 0.0058626 -0.0086303 1.0748627 -0.0093362 -0.0017916 -0.0136811 1.0841063 18 Na 1.0768484 -0.0051410 0.0058626 -0.0086303 1.0748627 -0.0093362 -0.0017916 -0.0136811 1.0841063 19 Al 2.6839468 0.0127201 0.0249407 -0.0071379 2.6814537 -0.0057720 -0.0023712 -0.0055751 2.6787405 20 Al 2.6839468 -0.0127201 0.0249407 0.0071379 2.6814537 0.0057720 -0.0023712 0.0055751 2.6787405 ---------------------------------------------------------------------------- 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: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.219 Solver_block: 200 / 640 - Time: 2.218 Solver_block: 300 / 640 - Time: 2.216 Solver_block: 400 / 640 - Time: 2.221 Solver_block: 500 / 640 - Time: 2.216 Solver_block: 600 / 640 - Time: 2.217 Solver_block: 640 / 640 - Time: 0.949 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.301 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), 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 2026-01-07 21:51:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:51:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.248351480020113 0.000000000000000 0.000000000000000 b 0.000000000000000 5.351123759999999 0.000000000000000 c -5.234706669324998 0.000000000000000 7.455080977804070 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 3 F 0.65905250690440 0.97896176307266 0.23670987559380 18.998 4 F 0.65905250690440 0.52103823692734 0.73670987559380 18.998 5 F 0.34094749309560 0.02103823692734 0.76329012440620 18.998 6 F 0.34094749309560 0.47896176307266 0.26329012440619 18.998 7 F 0.81660721350385 0.80490662119234 0.03855473907691 18.998 8 F 0.26663133123429 0.77694005609862 0.45798268157601 18.998 9 F 0.18339278649616 0.19509337880766 0.96144526092309 18.998 10 F 0.81660721350385 0.69509337880766 0.53855473907691 18.998 11 F 0.18339278649616 0.30490662119234 0.46144526092309 18.998 12 F 0.73336866876571 0.22305994390138 0.54201731842399 18.998 13 F 0.26663133123429 0.72305994390138 0.95798268157601 18.998 14 F 0.73336866876571 0.27694005609862 0.04201731842399 18.998 15 Na 0.24015743717324 0.04346481635637 0.24977979371412 22.990 16 Na 0.75984256282676 0.95653518364363 0.75022020628588 22.990 17 Na 0.24015743717324 0.45653518364363 0.74977979371412 22.990 18 Na 0.75984256282676 0.54346481635637 0.25022020628588 22.990 19 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 20 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.496702960040226 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702247519999998 0.000000000000000 c -5.234706669324998 0.000000000000000 7.455080977804070 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 5 7 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 5 8 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 5 9 F 0.32952625345220 0.48948088153633 0.23670987559380 18.998 > 9 10 F 0.82952625345220 0.48948088153633 0.23670987559380 18.998 > 9 11 F 0.32952625345220 0.98948088153633 0.23670987559380 18.998 > 9 12 F 0.82952625345220 0.98948088153633 0.23670987559380 18.998 > 9 13 F 0.32952625345220 0.26051911846367 0.73670987559380 18.998 > 13 14 F 0.82952625345220 0.26051911846367 0.73670987559380 18.998 > 13 15 F 0.32952625345220 0.76051911846367 0.73670987559380 18.998 > 13 16 F 0.82952625345220 0.76051911846367 0.73670987559380 18.998 > 13 17 F 0.17047374654780 0.01051911846367 0.76329012440620 18.998 > 17 18 F 0.67047374654780 0.01051911846367 0.76329012440620 18.998 > 17 19 F 0.17047374654780 0.51051911846367 0.76329012440620 18.998 > 17 20 F 0.67047374654780 0.51051911846367 0.76329012440620 18.998 > 17 21 F 0.17047374654780 0.23948088153633 0.26329012440619 18.998 > 21 22 F 0.67047374654780 0.23948088153633 0.26329012440619 18.998 > 21 23 F 0.17047374654780 0.73948088153633 0.26329012440619 18.998 > 21 24 F 0.67047374654780 0.73948088153633 0.26329012440619 18.998 > 21 25 F 0.40830360675192 0.40245331059617 0.03855473907691 18.998 > 25 26 F 0.90830360675192 0.40245331059617 0.03855473907691 18.998 > 25 27 F 0.40830360675192 0.90245331059617 0.03855473907691 18.998 > 25 28 F 0.90830360675192 0.90245331059617 0.03855473907691 18.998 > 25 29 F 0.13331566561715 0.38847002804931 0.45798268157601 18.998 > 29 30 F 0.63331566561715 0.38847002804931 0.45798268157601 18.998 > 29 31 F 0.13331566561715 0.88847002804931 0.45798268157601 18.998 > 29 32 F 0.63331566561715 0.88847002804931 0.45798268157601 18.998 > 29 33 F 0.09169639324808 0.09754668940383 0.96144526092309 18.998 > 33 34 F 0.59169639324808 0.09754668940383 0.96144526092309 18.998 > 33 35 F 0.09169639324808 0.59754668940383 0.96144526092309 18.998 > 33 36 F 0.59169639324808 0.59754668940383 0.96144526092309 18.998 > 33 37 F 0.40830360675192 0.34754668940383 0.53855473907691 18.998 > 37 38 F 0.90830360675192 0.34754668940383 0.53855473907691 18.998 > 37 39 F 0.40830360675192 0.84754668940383 0.53855473907691 18.998 > 37 40 F 0.90830360675192 0.84754668940383 0.53855473907691 18.998 > 37 41 F 0.09169639324808 0.15245331059617 0.46144526092309 18.998 > 41 42 F 0.59169639324808 0.15245331059617 0.46144526092309 18.998 > 41 43 F 0.09169639324808 0.65245331059617 0.46144526092309 18.998 > 41 44 F 0.59169639324808 0.65245331059617 0.46144526092309 18.998 > 41 45 F 0.36668433438285 0.11152997195069 0.54201731842399 18.998 > 45 46 F 0.86668433438285 0.11152997195069 0.54201731842399 18.998 > 45 47 F 0.36668433438285 0.61152997195069 0.54201731842399 18.998 > 45 48 F 0.86668433438285 0.61152997195069 0.54201731842399 18.998 > 45 49 F 0.13331566561715 0.36152997195069 0.95798268157601 18.998 > 49 50 F 0.63331566561715 0.36152997195069 0.95798268157601 18.998 > 49 51 F 0.13331566561715 0.86152997195069 0.95798268157601 18.998 > 49 52 F 0.63331566561715 0.86152997195069 0.95798268157601 18.998 > 49 53 F 0.36668433438285 0.13847002804931 0.04201731842399 18.998 > 53 54 F 0.86668433438285 0.13847002804931 0.04201731842399 18.998 > 53 55 F 0.36668433438285 0.63847002804931 0.04201731842399 18.998 > 53 56 F 0.86668433438285 0.63847002804931 0.04201731842399 18.998 > 53 57 Na 0.12007871858662 0.02173240817818 0.24977979371412 22.990 > 57 58 Na 0.62007871858662 0.02173240817818 0.24977979371412 22.990 > 57 59 Na 0.12007871858662 0.52173240817818 0.24977979371412 22.990 > 57 60 Na 0.62007871858662 0.52173240817818 0.24977979371412 22.990 > 57 61 Na 0.37992128141338 0.47826759182182 0.75022020628588 22.990 > 61 62 Na 0.87992128141338 0.47826759182182 0.75022020628588 22.990 > 61 63 Na 0.37992128141338 0.97826759182182 0.75022020628588 22.990 > 61 64 Na 0.87992128141338 0.97826759182182 0.75022020628588 22.990 > 61 65 Na 0.12007871858662 0.22826759182182 0.74977979371412 22.990 > 65 66 Na 0.62007871858662 0.22826759182182 0.74977979371412 22.990 > 65 67 Na 0.12007871858662 0.72826759182182 0.74977979371412 22.990 > 65 68 Na 0.62007871858662 0.72826759182182 0.74977979371412 22.990 > 65 69 Na 0.37992128141338 0.27173240817818 0.25022020628588 22.990 > 69 70 Na 0.87992128141338 0.27173240817818 0.25022020628588 22.990 > 69 71 Na 0.37992128141338 0.77173240817818 0.25022020628588 22.990 > 69 72 Na 0.87992128141338 0.77173240817818 0.25022020628588 22.990 > 69 73 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 73 74 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 73 75 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 73 76 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 73 77 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 77 78 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 77 79 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 77 80 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9727113 0.0000000 0.0013254 0.0000000 1.9716892 0.0000000 0.0013252 0.0000000 1.9723071 -------------------------- Born effective charges -------------------------- 1 Li 1.1002269 0.0207383 -0.0271247 -0.0160994 1.1049208 0.0060080 0.0228289 0.0133730 1.1058122 2 Li 1.1002269 -0.0207383 -0.0271247 0.0160994 1.1049208 -0.0060080 0.0228289 -0.0133730 1.1058122 3 F -0.8658656 0.0023973 0.0668750 0.0096832 -0.8372002 0.0221436 0.0657858 0.0209602 -1.2608393 4 F -0.8658656 -0.0023973 0.0668750 -0.0096832 -0.8372002 -0.0221436 0.0657858 -0.0209602 -1.2608393 5 F -0.8658656 0.0023973 0.0668750 0.0096832 -0.8372002 0.0221436 0.0657858 0.0209602 -1.2608393 6 F -0.8658656 -0.0023973 0.0668750 -0.0096832 -0.8372002 -0.0221436 0.0657858 -0.0209602 -1.2608393 7 F -1.1050437 0.2002254 -0.0236876 0.2013156 -1.0114728 0.0292216 -0.0260891 0.0291189 -0.8561802 8 F -0.9980260 0.1984173 -0.0479580 0.1997143 -1.1193770 0.0487766 -0.0481339 0.0446708 -0.8593632 9 F -1.1050437 0.2002254 -0.0236876 0.2013156 -1.0114728 0.0292216 -0.0260891 0.0291189 -0.8561802 10 F -1.1050437 -0.2002254 -0.0236876 -0.2013156 -1.0114728 -0.0292216 -0.0260891 -0.0291189 -0.8561802 11 F -1.1050437 -0.2002254 -0.0236876 -0.2013156 -1.0114728 -0.0292216 -0.0260891 -0.0291189 -0.8561802 12 F -0.9980260 0.1984173 -0.0479580 0.1997143 -1.1193770 0.0487766 -0.0481339 0.0446708 -0.8593632 13 F -0.9980260 -0.1984173 -0.0479580 -0.1997143 -1.1193770 -0.0487766 -0.0481339 -0.0446708 -0.8593632 14 F -0.9980260 -0.1984173 -0.0479580 -0.1997143 -1.1193770 -0.0487766 -0.0481339 -0.0446708 -0.8593632 15 Na 1.0768484 0.0051410 0.0058626 0.0086303 1.0748627 0.0093362 -0.0017916 0.0136811 1.0841063 16 Na 1.0768484 0.0051410 0.0058626 0.0086303 1.0748627 0.0093362 -0.0017916 0.0136811 1.0841063 17 Na 1.0768484 -0.0051410 0.0058626 -0.0086303 1.0748627 -0.0093362 -0.0017916 -0.0136811 1.0841063 18 Na 1.0768484 -0.0051410 0.0058626 -0.0086303 1.0748627 -0.0093362 -0.0017916 -0.0136811 1.0841063 19 Al 2.6839468 0.0127201 0.0249407 -0.0071379 2.6814537 -0.0057720 -0.0023712 -0.0055751 2.6787405 20 Al 2.6839468 -0.0127201 0.0249407 0.0071379 2.6814537 0.0057720 -0.0023712 0.0055751 2.6787405 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 25, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 29, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xz) 0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:52:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:52:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.248351480020113 0.000000000000000 0.000000000000000 b 0.000000000000000 5.351123759999999 0.000000000000000 c -5.234706669324998 0.000000000000000 7.455080977804070 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 3 F 0.65905250690440 0.97896176307266 0.23670987559380 18.998 4 F 0.65905250690440 0.52103823692734 0.73670987559380 18.998 5 F 0.34094749309560 0.02103823692734 0.76329012440620 18.998 6 F 0.34094749309560 0.47896176307266 0.26329012440619 18.998 7 F 0.81660721350385 0.80490662119234 0.03855473907691 18.998 8 F 0.26663133123429 0.77694005609862 0.45798268157601 18.998 9 F 0.18339278649616 0.19509337880766 0.96144526092309 18.998 10 F 0.81660721350385 0.69509337880766 0.53855473907691 18.998 11 F 0.18339278649616 0.30490662119234 0.46144526092309 18.998 12 F 0.73336866876571 0.22305994390138 0.54201731842399 18.998 13 F 0.26663133123429 0.72305994390138 0.95798268157601 18.998 14 F 0.73336866876571 0.27694005609862 0.04201731842399 18.998 15 Na 0.24015743717324 0.04346481635637 0.24977979371412 22.990 16 Na 0.75984256282676 0.95653518364363 0.75022020628588 22.990 17 Na 0.24015743717324 0.45653518364363 0.74977979371412 22.990 18 Na 0.75984256282676 0.54346481635637 0.25022020628588 22.990 19 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 20 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.496702960040226 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702247519999998 0.000000000000000 c -5.234706669324998 0.000000000000000 7.455080977804070 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 5 7 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 5 8 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 5 9 F 0.32952625345220 0.48948088153633 0.23670987559380 18.998 > 9 10 F 0.82952625345220 0.48948088153633 0.23670987559380 18.998 > 9 11 F 0.32952625345220 0.98948088153633 0.23670987559380 18.998 > 9 12 F 0.82952625345220 0.98948088153633 0.23670987559380 18.998 > 9 13 F 0.32952625345220 0.26051911846367 0.73670987559380 18.998 > 13 14 F 0.82952625345220 0.26051911846367 0.73670987559380 18.998 > 13 15 F 0.32952625345220 0.76051911846367 0.73670987559380 18.998 > 13 16 F 0.82952625345220 0.76051911846367 0.73670987559380 18.998 > 13 17 F 0.17047374654780 0.01051911846367 0.76329012440620 18.998 > 17 18 F 0.67047374654780 0.01051911846367 0.76329012440620 18.998 > 17 19 F 0.17047374654780 0.51051911846367 0.76329012440620 18.998 > 17 20 F 0.67047374654780 0.51051911846367 0.76329012440620 18.998 > 17 21 F 0.17047374654780 0.23948088153633 0.26329012440619 18.998 > 21 22 F 0.67047374654780 0.23948088153633 0.26329012440619 18.998 > 21 23 F 0.17047374654780 0.73948088153633 0.26329012440619 18.998 > 21 24 F 0.67047374654780 0.73948088153633 0.26329012440619 18.998 > 21 25 F 0.40830360675192 0.40245331059617 0.03855473907691 18.998 > 25 26 F 0.90830360675192 0.40245331059617 0.03855473907691 18.998 > 25 27 F 0.40830360675192 0.90245331059617 0.03855473907691 18.998 > 25 28 F 0.90830360675192 0.90245331059617 0.03855473907691 18.998 > 25 29 F 0.13331566561715 0.38847002804931 0.45798268157601 18.998 > 29 30 F 0.63331566561715 0.38847002804931 0.45798268157601 18.998 > 29 31 F 0.13331566561715 0.88847002804931 0.45798268157601 18.998 > 29 32 F 0.63331566561715 0.88847002804931 0.45798268157601 18.998 > 29 33 F 0.09169639324808 0.09754668940383 0.96144526092309 18.998 > 33 34 F 0.59169639324808 0.09754668940383 0.96144526092309 18.998 > 33 35 F 0.09169639324808 0.59754668940383 0.96144526092309 18.998 > 33 36 F 0.59169639324808 0.59754668940383 0.96144526092309 18.998 > 33 37 F 0.40830360675192 0.34754668940383 0.53855473907691 18.998 > 37 38 F 0.90830360675192 0.34754668940383 0.53855473907691 18.998 > 37 39 F 0.40830360675192 0.84754668940383 0.53855473907691 18.998 > 37 40 F 0.90830360675192 0.84754668940383 0.53855473907691 18.998 > 37 41 F 0.09169639324808 0.15245331059617 0.46144526092309 18.998 > 41 42 F 0.59169639324808 0.15245331059617 0.46144526092309 18.998 > 41 43 F 0.09169639324808 0.65245331059617 0.46144526092309 18.998 > 41 44 F 0.59169639324808 0.65245331059617 0.46144526092309 18.998 > 41 45 F 0.36668433438285 0.11152997195069 0.54201731842399 18.998 > 45 46 F 0.86668433438285 0.11152997195069 0.54201731842399 18.998 > 45 47 F 0.36668433438285 0.61152997195069 0.54201731842399 18.998 > 45 48 F 0.86668433438285 0.61152997195069 0.54201731842399 18.998 > 45 49 F 0.13331566561715 0.36152997195069 0.95798268157601 18.998 > 49 50 F 0.63331566561715 0.36152997195069 0.95798268157601 18.998 > 49 51 F 0.13331566561715 0.86152997195069 0.95798268157601 18.998 > 49 52 F 0.63331566561715 0.86152997195069 0.95798268157601 18.998 > 49 53 F 0.36668433438285 0.13847002804931 0.04201731842399 18.998 > 53 54 F 0.86668433438285 0.13847002804931 0.04201731842399 18.998 > 53 55 F 0.36668433438285 0.63847002804931 0.04201731842399 18.998 > 53 56 F 0.86668433438285 0.63847002804931 0.04201731842399 18.998 > 53 57 Na 0.12007871858662 0.02173240817818 0.24977979371412 22.990 > 57 58 Na 0.62007871858662 0.02173240817818 0.24977979371412 22.990 > 57 59 Na 0.12007871858662 0.52173240817818 0.24977979371412 22.990 > 57 60 Na 0.62007871858662 0.52173240817818 0.24977979371412 22.990 > 57 61 Na 0.37992128141338 0.47826759182182 0.75022020628588 22.990 > 61 62 Na 0.87992128141338 0.47826759182182 0.75022020628588 22.990 > 61 63 Na 0.37992128141338 0.97826759182182 0.75022020628588 22.990 > 61 64 Na 0.87992128141338 0.97826759182182 0.75022020628588 22.990 > 61 65 Na 0.12007871858662 0.22826759182182 0.74977979371412 22.990 > 65 66 Na 0.62007871858662 0.22826759182182 0.74977979371412 22.990 > 65 67 Na 0.12007871858662 0.72826759182182 0.74977979371412 22.990 > 65 68 Na 0.62007871858662 0.72826759182182 0.74977979371412 22.990 > 65 69 Na 0.37992128141338 0.27173240817818 0.25022020628588 22.990 > 69 70 Na 0.87992128141338 0.27173240817818 0.25022020628588 22.990 > 69 71 Na 0.37992128141338 0.77173240817818 0.25022020628588 22.990 > 69 72 Na 0.87992128141338 0.77173240817818 0.25022020628588 22.990 > 69 73 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 73 74 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 73 75 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 73 76 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 73 77 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 77 78 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 77 79 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 77 80 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9727113 0.0000000 0.0013254 0.0000000 1.9716892 0.0000000 0.0013252 0.0000000 1.9723071 -------------------------- Born effective charges -------------------------- 1 Li 1.1002269 0.0207383 -0.0271247 -0.0160994 1.1049208 0.0060080 0.0228289 0.0133730 1.1058122 2 Li 1.1002269 -0.0207383 -0.0271247 0.0160994 1.1049208 -0.0060080 0.0228289 -0.0133730 1.1058122 3 F -0.8658656 0.0023973 0.0668750 0.0096832 -0.8372002 0.0221436 0.0657858 0.0209602 -1.2608393 4 F -0.8658656 -0.0023973 0.0668750 -0.0096832 -0.8372002 -0.0221436 0.0657858 -0.0209602 -1.2608393 5 F -0.8658656 0.0023973 0.0668750 0.0096832 -0.8372002 0.0221436 0.0657858 0.0209602 -1.2608393 6 F -0.8658656 -0.0023973 0.0668750 -0.0096832 -0.8372002 -0.0221436 0.0657858 -0.0209602 -1.2608393 7 F -1.1050437 0.2002254 -0.0236876 0.2013156 -1.0114728 0.0292216 -0.0260891 0.0291189 -0.8561802 8 F -0.9980260 0.1984173 -0.0479580 0.1997143 -1.1193770 0.0487766 -0.0481339 0.0446708 -0.8593632 9 F -1.1050437 0.2002254 -0.0236876 0.2013156 -1.0114728 0.0292216 -0.0260891 0.0291189 -0.8561802 10 F -1.1050437 -0.2002254 -0.0236876 -0.2013156 -1.0114728 -0.0292216 -0.0260891 -0.0291189 -0.8561802 11 F -1.1050437 -0.2002254 -0.0236876 -0.2013156 -1.0114728 -0.0292216 -0.0260891 -0.0291189 -0.8561802 12 F -0.9980260 0.1984173 -0.0479580 0.1997143 -1.1193770 0.0487766 -0.0481339 0.0446708 -0.8593632 13 F -0.9980260 -0.1984173 -0.0479580 -0.1997143 -1.1193770 -0.0487766 -0.0481339 -0.0446708 -0.8593632 14 F -0.9980260 -0.1984173 -0.0479580 -0.1997143 -1.1193770 -0.0487766 -0.0481339 -0.0446708 -0.8593632 15 Na 1.0768484 0.0051410 0.0058626 0.0086303 1.0748627 0.0093362 -0.0017916 0.0136811 1.0841063 16 Na 1.0768484 0.0051410 0.0058626 0.0086303 1.0748627 0.0093362 -0.0017916 0.0136811 1.0841063 17 Na 1.0768484 -0.0051410 0.0058626 -0.0086303 1.0748627 -0.0093362 -0.0017916 -0.0136811 1.0841063 18 Na 1.0768484 -0.0051410 0.0058626 -0.0086303 1.0748627 -0.0093362 -0.0017916 -0.0136811 1.0841063 19 Al 2.6839468 0.0127201 0.0249407 -0.0071379 2.6814537 -0.0057720 -0.0023712 -0.0055751 2.6787405 20 Al 2.6839468 -0.0127201 0.0249407 0.0071379 2.6814537 0.0057720 -0.0023712 0.0055751 2.6787405 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) 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 ... [ 12 9 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: 0.70, Number of G-points: 317, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/215) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.759 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.371 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 10.133 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 11.874 ( 0.000 0.000 0.000) 0.000 12.368 ( 0.000 0.000 0.000) 0.000 12.402 ( 0.000 0.000 0.000) 0.000 13.057 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 16.144 ( 0.000 0.000 0.000) 0.000 16.434 ( 0.000 0.000 0.000) 0.000 17.407 ( 0.000 0.000 0.000) 0.000 17.428 ( 0.000 0.000 0.000) 0.000 17.485 ( 0.000 0.000 0.000) 0.000 17.937 ( 0.000 0.000 0.000) 0.000 18.035 ( 0.000 0.000 0.000) 0.000 18.857 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/215) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 19.937 0.000 26.056) 32.809 0.626 ( 29.738 0.000 12.839) 32.391 1.220 ( 50.033 0.000 36.444) 61.898 2.646 ( 3.917 0.000 3.428) 5.205 2.912 ( 5.514 0.000 -3.745) 6.666 3.280 ( -10.000 0.000 4.818) 11.100 3.305 ( 3.172 0.000 1.136) 3.369 3.435 ( 0.422 0.000 -3.544) 3.569 3.652 ( -0.456 0.000 0.851) 0.966 4.097 ( -6.368 0.000 -1.941) 6.657 4.183 ( 1.050 0.000 -3.287) 3.451 4.217 ( -2.964 0.000 1.918) 3.531 4.669 ( 5.174 0.000 -1.709) 5.449 4.830 ( -8.538 0.000 -0.179) 8.540 4.944 ( 1.111 0.000 -5.193) 5.310 5.141 ( -3.232 0.000 -1.407) 3.525 5.200 ( 0.094 0.000 -4.963) 4.964 5.382 ( -13.465 0.000 15.751) 20.722 5.794 ( -13.987 0.000 1.579) 14.075 5.898 ( -2.759 0.000 0.021) 2.759 6.018 ( 2.528 0.000 0.933) 2.695 6.227 ( -6.163 0.000 -3.206) 6.947 6.333 ( 4.639 0.000 -5.976) 7.565 6.542 ( -4.391 0.000 4.050) 5.974 6.658 ( -1.642 0.000 -5.001) 5.264 6.855 ( 4.702 0.000 1.766) 5.023 7.099 ( 3.838 0.000 7.787) 8.681 7.463 ( 2.494 0.000 1.273) 2.800 7.561 ( 1.945 0.000 -10.848) 11.021 7.753 ( -0.494 0.000 -0.030) 0.495 8.868 ( 3.009 0.000 2.092) 3.665 8.989 ( 1.176 0.000 7.377) 7.470 9.326 ( 5.389 0.000 -0.426) 5.406 9.338 ( -1.364 0.000 6.615) 6.754 9.459 ( 9.883 0.000 0.723) 9.910 9.781 ( 1.693 0.000 0.002) 1.693 9.961 ( -3.276 0.000 1.151) 3.472 10.025 ( 13.722 0.000 -20.632) 24.778 10.161 ( -3.053 0.000 -1.370) 3.346 10.181 ( -1.311 0.000 2.404) 2.738 10.269 ( -0.295 0.000 0.591) 0.661 11.421 ( -8.188 0.000 -0.333) 8.195 11.606 ( -2.496 0.000 0.925) 2.662 11.695 ( -2.328 0.000 -0.588) 2.401 11.710 ( 6.003 0.000 -4.045) 7.239 11.777 ( -3.529 0.000 9.762) 10.380 11.925 ( 9.715 0.000 0.905) 9.757 12.210 ( 5.018 0.000 -4.899) 7.013 12.399 ( 4.376 0.000 -1.558) 4.646 12.869 ( -7.259 0.000 7.822) 10.671 13.019 ( -3.586 0.000 -1.721) 3.977 13.972 ( -4.949 0.000 -8.101) 9.493 16.162 ( 0.861 0.000 2.093) 2.263 16.432 ( -0.521 0.000 0.558) 0.763 17.400 ( -2.351 0.000 1.880) 3.011 17.459 ( 1.676 0.000 -4.932) 5.209 17.882 ( 1.776 0.000 -11.260) 11.399 18.038 ( 11.578 0.000 -1.000) 11.621 18.839 ( -5.086 0.000 5.849) 7.751 20.396 ( -8.680 0.000 8.944) 12.464 ======================= Grid point 2 (3/215) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 18.561 0.000 23.964) 30.311 1.219 ( 26.997 0.000 12.327) 29.679 2.378 ( 45.580 0.000 33.538) 56.589 2.782 ( 6.500 0.000 5.450) 8.482 2.948 ( 4.390 0.000 -4.622) 6.375 3.145 ( -6.135 0.000 -4.856) 7.824 3.321 ( 0.198 0.000 -11.170) 11.172 3.442 ( 6.276 0.000 0.362) 6.287 3.641 ( -1.609 0.000 -0.517) 1.690 3.968 ( -7.641 0.000 -0.093) 7.641 4.158 ( 1.215 0.000 -4.371) 4.537 4.163 ( -4.583 0.000 -0.144) 4.585 4.537 ( -17.571 0.000 -4.122) 18.048 4.751 ( 4.874 0.000 1.457) 5.088 4.985 ( 4.755 0.000 -5.270) 7.098 5.030 ( -8.913 0.000 -1.630) 9.061 5.196 ( 6.064 0.000 -1.610) 6.274 5.320 ( -10.506 0.000 7.806) 13.088 5.566 ( -14.177 0.000 -0.367) 14.182 5.830 ( -4.351 0.000 -2.198) 4.874 6.042 ( -2.896 0.000 1.133) 3.110 6.077 ( -8.468 0.000 -0.248) 8.472 6.320 ( 4.244 0.000 -9.560) 10.460 6.502 ( -8.970 0.000 9.257) 12.890 6.641 ( 7.411 0.000 -5.706) 9.354 6.963 ( 4.245 0.000 3.588) 5.558 7.204 ( -0.725 0.000 6.477) 6.517 7.429 ( -3.004 0.000 -10.475) 10.897 7.557 ( 5.952 0.000 3.092) 6.707 7.743 ( -0.648 0.000 -0.068) 0.651 8.957 ( 4.110 0.000 2.981) 5.077 9.103 ( 0.580 0.000 8.950) 8.969 9.409 ( 2.241 0.000 4.275) 4.827 9.438 ( 9.663 0.000 -2.890) 10.086 9.649 ( 7.214 0.000 4.390) 8.444 9.842 ( 4.942 0.000 2.069) 5.357 9.896 ( -8.046 0.000 2.727) 8.496 9.975 ( 5.235 0.000 -14.752) 15.653 10.082 ( -1.157 0.000 -1.226) 1.686 10.221 ( 2.123 0.000 4.101) 4.618 10.293 ( 1.588 0.000 1.372) 2.099 11.341 ( -2.375 0.000 1.272) 2.694 11.544 ( -6.669 0.000 1.845) 6.919 11.683 ( 1.640 0.000 -0.257) 1.660 11.727 ( 1.475 0.000 -4.641) 4.870 11.825 ( -0.440 0.000 7.299) 7.312 12.119 ( 9.139 0.000 3.564) 9.810 12.250 ( 6.188 0.000 -3.909) 7.319 12.448 ( 4.492 0.000 -3.347) 5.601 12.837 ( -2.712 0.000 1.537) 3.117 12.907 ( -6.591 0.000 -3.765) 7.590 13.756 ( -6.617 0.000 -12.486) 14.131 16.220 ( 2.279 0.000 3.686) 4.334 16.433 ( -0.647 0.000 1.389) 1.532 17.372 ( -4.672 0.000 3.195) 5.660 17.412 ( 0.172 0.000 -6.198) 6.200 17.747 ( -3.922 0.000 -9.360) 10.148 18.158 ( 7.941 0.000 -11.625) 14.078 18.915 ( 1.021 0.000 18.110) 18.139 20.343 ( -6.857 0.000 3.916) 7.896 ======================= Grid point 3 (4/215) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 16.633 0.000 20.808) 26.639 1.745 ( 22.242 0.000 11.212) 24.908 2.908 ( -0.585 0.000 -0.980) 1.141 2.941 ( 0.326 0.000 -4.441) 4.453 2.997 ( 3.322 0.000 -1.247) 3.549 3.115 ( -3.277 0.000 -17.511) 17.815 3.417 ( 34.969 0.000 24.539) 42.720 3.527 ( 5.566 0.000 -7.239) 9.132 3.587 ( -1.968 0.000 0.061) 1.969 3.808 ( -11.991 0.000 -1.528) 12.088 4.131 ( 1.420 0.000 -3.436) 3.718 4.144 ( 2.528 0.000 3.644) 4.435 4.308 ( -10.251 0.000 4.421) 11.164 4.769 ( -9.580 0.000 -2.905) 10.011 4.904 ( 0.325 0.000 3.803) 3.817 4.958 ( 1.830 0.000 -6.696) 6.941 5.240 ( -7.235 0.000 3.410) 7.999 5.338 ( 11.709 0.000 -1.237) 11.774 5.372 ( -7.846 0.000 -1.693) 8.026 5.719 ( -5.635 0.000 -2.920) 6.347 5.912 ( -11.792 0.000 -2.599) 12.075 5.983 ( -6.089 0.000 4.330) 7.472 6.263 ( 2.386 0.000 -9.273) 9.576 6.496 ( -5.664 0.000 10.111) 11.589 6.739 ( 10.199 0.000 -3.884) 10.914 7.024 ( -2.092 0.000 0.598) 2.176 7.259 ( -0.597 0.000 7.491) 7.515 7.265 ( -2.795 0.000 -7.711) 8.202 7.699 ( 6.713 0.000 3.675) 7.653 7.736 ( 0.373 0.000 -0.334) 0.501 9.053 ( 3.508 0.000 3.018) 4.628 9.182 ( -0.070 0.000 3.750) 3.751 9.469 ( 1.126 0.000 -1.277) 1.703 9.473 ( -1.137 0.000 -6.811) 6.905 9.731 ( 0.542 0.000 3.711) 3.750 9.765 ( -9.909 0.000 1.045) 9.964 9.907 ( 3.218 0.000 -7.520) 8.180 9.946 ( 3.327 0.000 4.035) 5.229 10.189 ( 5.524 0.000 6.518) 8.544 10.330 ( 4.494 0.000 5.408) 7.032 10.409 ( 14.088 0.000 3.160) 14.438 11.367 ( 2.078 0.000 3.275) 3.878 11.454 ( -8.935 0.000 4.291) 9.912 11.660 ( -2.761 0.000 -4.614) 5.377 11.735 ( 5.457 0.000 -0.865) 5.525 11.929 ( 0.891 0.000 9.598) 9.640 12.258 ( 8.032 0.000 -2.998) 8.574 12.297 ( 3.760 0.000 -3.982) 5.477 12.455 ( 1.928 0.000 -4.536) 4.928 12.732 ( -8.177 0.000 -6.237) 10.284 12.844 ( 1.995 0.000 1.814) 2.696 13.519 ( -5.040 0.000 -12.077) 13.086 16.312 ( 3.583 0.000 4.162) 5.492 16.447 ( -0.216 0.000 2.629) 2.637 17.320 ( -3.053 0.000 -6.395) 7.086 17.323 ( -6.198 0.000 3.598) 7.167 17.568 ( -4.190 0.000 -10.159) 10.989 18.015 ( -3.860 0.000 -16.376) 16.825 19.258 ( 11.315 0.000 21.321) 24.137 20.272 ( -6.208 0.000 2.199) 6.586 ======================= Grid point 4 (5/215) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 15.803 0.000 9.469) 18.423 2.191 ( 14.243 0.000 16.832) 22.049 2.777 ( -3.373 0.000 -8.053) 8.730 2.791 ( -5.314 0.000 -12.276) 13.377 2.945 ( 2.413 0.000 -13.191) 13.410 3.115 ( 4.945 0.000 2.038) 5.349 3.360 ( -12.097 0.000 -8.158) 14.590 3.445 ( -6.555 0.000 -3.679) 7.517 3.704 ( -1.374 0.000 1.441) 1.992 4.021 ( 5.454 0.000 1.025) 5.550 4.266 ( 1.081 0.000 4.900) 5.018 4.296 ( 18.920 0.000 16.728) 25.254 4.303 ( 3.171 0.000 7.865) 8.480 4.537 ( -12.165 0.000 -2.136) 12.351 4.920 ( 2.088 0.000 -5.069) 5.482 5.012 ( 4.797 0.000 3.854) 6.153 5.170 ( -3.871 0.000 -0.137) 3.874 5.310 ( 2.424 0.000 0.343) 2.448 5.480 ( 7.744 0.000 -5.207) 9.332 5.586 ( -7.811 0.000 -6.329) 10.053 5.687 ( -8.035 0.000 0.646) 8.061 5.974 ( -3.602 0.000 7.196) 8.047 6.213 ( 2.774 0.000 -5.780) 6.411 6.529 ( -3.732 0.000 8.618) 9.391 6.826 ( 6.016 0.000 -4.847) 7.725 6.865 ( -10.176 0.000 -8.068) 12.986 7.206 ( -1.267 0.000 -0.186) 1.281 7.385 ( 3.841 0.000 10.294) 10.987 7.758 ( 2.508 0.000 0.071) 2.509 7.847 ( 6.499 0.000 3.856) 7.557 9.123 ( 0.974 0.000 1.975) 2.202 9.148 ( -5.221 0.000 -5.114) 7.308 9.335 ( -5.668 0.000 -1.285) 5.812 9.371 ( -4.738 0.000 -8.391) 9.637 9.651 ( -6.044 0.000 1.149) 6.152 9.792 ( 4.390 0.000 -0.611) 4.433 9.934 ( 5.446 0.000 -0.624) 5.482 9.981 ( -2.015 0.000 0.190) 2.024 10.364 ( 5.554 0.000 10.323) 11.722 10.472 ( 4.958 0.000 5.923) 7.724 10.769 ( 19.558 0.000 7.731) 21.030 11.358 ( -9.570 0.000 5.151) 10.868 11.464 ( 3.696 0.000 5.308) 6.468 11.552 ( -4.179 0.000 -4.152) 5.891 11.820 ( 5.763 0.000 -1.081) 5.864 12.037 ( -1.596 0.000 8.479) 8.628 12.261 ( -1.639 0.000 -2.843) 3.282 12.330 ( 9.889 0.000 -9.338) 13.601 12.417 ( -0.144 0.000 -3.949) 3.952 12.521 ( -7.796 0.000 -7.977) 11.154 12.935 ( 4.612 0.000 3.498) 5.789 13.345 ( -2.335 0.000 -8.403) 8.722 16.419 ( 4.276 0.000 3.623) 5.604 16.487 ( 0.563 0.000 3.901) 3.941 17.177 ( -6.425 0.000 -4.998) 8.140 17.255 ( -6.760 0.000 2.447) 7.190 17.405 ( -1.576 0.000 -10.445) 10.563 17.742 ( -7.110 0.000 -14.406) 16.065 19.667 ( 11.612 0.000 16.902) 20.507 20.201 ( -4.893 0.000 1.319) 5.068 ======================= Grid point 5 (6/215) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 7.607 0.000 6.255) 9.849 2.532 ( 5.541 0.000 7.529) 9.348 2.645 ( 6.529 0.000 -5.418) 8.484 2.675 ( 0.810 0.000 -4.524) 4.596 2.808 ( -2.018 0.000 -11.175) 11.356 3.099 ( -13.525 0.000 -1.112) 13.571 3.117 ( -3.719 0.000 -4.792) 6.066 3.348 ( -2.036 0.000 1.111) 2.319 3.719 ( 1.429 0.000 -0.001) 1.429 4.033 ( 0.559 0.000 -1.647) 1.739 4.331 ( 0.589 0.000 4.706) 4.743 4.377 ( -5.644 0.000 -0.839) 5.706 4.457 ( 5.126 0.000 4.605) 6.891 4.671 ( 7.138 0.000 9.979) 12.270 4.925 ( 3.361 0.000 -1.052) 3.522 5.070 ( -0.923 0.000 -1.012) 1.369 5.125 ( -0.442 0.000 0.204) 0.487 5.316 ( -11.722 0.000 -8.099) 14.248 5.451 ( -1.720 0.000 -3.200) 3.633 5.473 ( 11.555 0.000 3.207) 11.992 5.730 ( 5.234 0.000 0.529) 5.260 6.030 ( 0.681 0.000 8.691) 8.717 6.234 ( 4.731 0.000 -2.364) 5.289 6.562 ( -2.151 0.000 5.436) 5.846 6.586 ( -12.402 0.000 -8.068) 14.795 6.833 ( 1.779 0.000 -3.795) 4.191 7.181 ( -1.750 0.000 0.248) 1.768 7.572 ( 4.944 0.000 8.208) 9.582 7.804 ( 2.404 0.000 0.379) 2.433 7.981 ( 4.985 0.000 3.046) 5.842 8.953 ( -7.963 0.000 -5.990) 9.965 9.078 ( -5.038 0.000 -3.655) 6.224 9.259 ( -0.021 0.000 -2.299) 2.299 9.281 ( -1.796 0.000 -0.091) 1.798 9.585 ( -3.140 0.000 0.113) 3.143 9.844 ( 3.126 0.000 -1.077) 3.306 9.934 ( -2.125 0.000 -1.107) 2.396 10.026 ( 4.544 0.000 1.024) 4.658 10.549 ( 4.493 0.000 6.668) 8.041 10.600 ( 3.453 0.000 4.131) 5.384 11.123 ( 12.032 0.000 6.591) 13.718 11.282 ( -4.992 0.000 4.899) 6.995 11.449 ( -3.706 0.000 -2.038) 4.230 11.595 ( 4.258 0.000 5.804) 7.198 11.857 ( 0.610 0.000 -2.787) 2.853 12.004 ( -4.434 0.000 -4.254) 6.144 12.258 ( -2.313 0.000 7.290) 7.648 12.334 ( -4.311 0.000 -5.455) 6.953 12.368 ( 8.117 0.000 -9.587) 12.561 12.384 ( -0.133 0.000 -1.962) 1.966 13.035 ( 3.106 0.000 2.430) 3.943 13.255 ( -0.568 0.000 -4.048) 4.088 16.519 ( 3.696 0.000 2.444) 4.431 16.545 ( 1.004 0.000 3.734) 3.867 17.032 ( -5.220 0.000 -3.161) 6.103 17.162 ( -5.855 0.000 -0.534) 5.879 17.289 ( -0.401 0.000 -7.170) 7.181 17.519 ( -4.384 0.000 -7.458) 8.651 19.966 ( 6.772 0.000 9.312) 11.515 20.151 ( -2.718 0.000 0.656) 2.796 ======================= Grid point 6 (7/215) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 0.000 0.000 0.000) 0.000 2.542 ( -0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.852 ( -0.000 0.000 -0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.331 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 -0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.125 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.230 ( 0.000 0.000 -0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 8.045 ( 0.000 0.000 0.000) 0.000 8.842 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 9.909 ( 0.000 0.000 0.000) 0.000 10.072 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.654 ( 0.000 0.000 0.000) 0.000 11.196 ( -0.000 0.000 -0.000) 0.000 11.355 ( 0.000 0.000 -0.000) 0.000 11.405 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.815 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 0.000) 0.000 12.274 ( 0.000 0.000 0.000) 0.000 12.288 ( 0.000 0.000 -0.000) 0.000 12.375 ( -0.000 0.000 0.000) 0.000 12.377 ( 0.000 0.000 0.000) 0.000 13.074 ( 0.000 0.000 0.000) 0.000 13.229 ( 0.000 0.000 0.000) 0.000 16.569 ( 0.000 0.000 0.000) 0.000 16.580 ( 0.000 0.000 0.000) 0.000 16.968 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.244 ( 0.000 0.000 -0.000) 0.000 17.445 ( 0.000 0.000 0.000) 0.000 20.073 ( 0.000 0.000 0.000) 0.000 20.133 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 13 (8/215) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 28.587 0.000) 28.587 0.797 ( 0.000 38.025 0.000) 38.025 1.204 ( 0.000 55.949 0.000) 55.949 2.655 ( 0.000 5.698 0.000) 5.698 2.981 ( 0.000 0.190 0.000) 0.190 3.086 ( 0.000 -7.416 0.000) 7.416 3.344 ( 0.000 2.235 0.000) 2.235 3.600 ( 0.000 14.645 0.000) 14.645 3.639 ( 0.000 -0.864 0.000) 0.864 4.109 ( 0.000 -6.538 0.000) 6.538 4.115 ( 0.000 -5.212 0.000) 5.212 4.259 ( 0.000 0.884 0.000) 0.884 4.706 ( 0.000 7.466 0.000) 7.466 4.951 ( 0.000 -9.477 0.000) 9.477 4.980 ( 0.000 -4.142 0.000) 4.142 5.086 ( 0.000 -3.753 0.000) 3.753 5.189 ( 0.000 1.109 0.000) 1.109 5.447 ( 0.000 -0.546 0.000) 0.546 5.632 ( 0.000 6.444 0.000) 6.444 5.883 ( 0.000 -2.755 0.000) 2.755 5.935 ( 0.000 -3.962 0.000) 3.962 6.208 ( 0.000 -8.124 0.000) 8.124 6.579 ( 0.000 -10.662 0.000) 10.662 6.585 ( 0.000 4.380 0.000) 4.380 6.750 ( 0.000 3.669 0.000) 3.669 6.829 ( 0.000 0.434 0.000) 0.434 7.183 ( 0.000 4.219 0.000) 4.219 7.389 ( 0.000 -0.327 0.000) 0.327 7.437 ( 0.000 -0.003 0.000) 0.003 7.759 ( 0.000 -0.126 0.000) 0.126 8.858 ( 0.000 2.831 0.000) 2.831 9.081 ( 0.000 3.950 0.000) 3.950 9.264 ( 0.000 3.113 0.000) 3.113 9.409 ( 0.000 2.819 0.000) 2.819 9.420 ( 0.000 9.349 0.000) 9.349 9.682 ( 0.000 4.171 0.000) 4.171 9.961 ( 0.000 -2.444 0.000) 2.444 10.069 ( 0.000 -4.718 0.000) 4.718 10.140 ( 0.000 -3.540 0.000) 3.540 10.219 ( 0.000 2.390 0.000) 2.390 10.252 ( 0.000 -2.192 0.000) 2.192 11.507 ( 0.000 -2.391 0.000) 2.391 11.610 ( 0.000 -5.944 0.000) 5.944 11.697 ( 0.000 4.256 0.000) 4.256 11.751 ( 0.000 1.383 0.000) 1.383 11.798 ( 0.000 -1.805 0.000) 1.805 12.036 ( 0.000 11.860 0.000) 11.860 12.332 ( 0.000 -1.106 0.000) 1.106 12.426 ( 0.000 2.043 0.000) 2.043 12.455 ( 0.000 0.272 0.000) 0.272 13.052 ( 0.000 -1.575 0.000) 1.575 13.897 ( 0.000 -14.847 0.000) 14.847 16.156 ( 0.000 1.297 0.000) 1.297 16.436 ( 0.000 0.152 0.000) 0.152 17.386 ( 0.000 -3.971 0.000) 3.971 17.564 ( 0.000 6.339 0.000) 6.339 17.841 ( 0.000 -6.028 0.000) 6.028 18.166 ( 0.000 12.733 0.000) 12.733 18.796 ( 0.000 -5.338 0.000) 5.338 20.288 ( 0.000 -2.934 0.000) 2.934 ======================= Grid point 14 (9/215) ======================= q-point: ( 0.08 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 23.161 25.108 4.308) 34.430 0.972 ( 19.558 24.361 10.884) 33.082 1.665 ( 28.648 38.010 30.748) 56.665 2.698 ( 3.138 5.004 3.061) 6.653 2.959 ( 4.532 2.777 -5.534) 7.673 3.109 ( -0.614 -8.238 2.836) 8.734 3.392 ( 2.012 0.889 -0.374) 2.231 3.586 ( -1.069 13.610 -2.940) 13.965 3.639 ( -0.751 -0.176 1.624) 1.798 4.035 ( -5.360 -6.747 -1.419) 8.733 4.065 ( -4.235 -5.858 -0.359) 7.237 4.232 ( -2.496 0.837 0.086) 2.634 4.743 ( 2.373 5.759 -0.110) 6.230 4.801 ( -10.186 -6.511 -6.709) 13.826 5.005 ( 2.068 0.394 1.388) 2.522 5.052 ( 2.289 -1.045 -6.482) 6.954 5.130 ( -4.306 -5.413 -0.409) 6.929 5.446 ( -8.496 3.806 8.790) 12.803 5.700 ( -3.037 -2.026 -1.732) 4.041 5.871 ( 5.614 -3.502 -1.376) 6.758 5.935 ( -2.510 -2.112 1.316) 3.534 6.148 ( -5.207 -6.548 -2.185) 8.647 6.523 ( -7.587 -5.684 4.134) 10.342 6.566 ( -2.794 7.950 -4.869) 9.732 6.667 ( 0.432 2.137 -1.880) 2.879 6.881 ( 3.718 2.484 0.392) 4.489 7.161 ( 0.799 5.292 3.316) 6.296 7.457 ( 4.034 -1.122 -0.863) 4.275 7.505 ( 6.012 -2.424 -4.457) 7.866 7.752 ( -0.295 -0.067 -0.527) 0.608 8.879 ( 2.719 1.604 0.401) 3.183 9.071 ( -4.057 5.438 7.521) 10.129 9.262 ( -0.735 -0.399 0.595) 1.027 9.383 ( 2.489 2.699 3.584) 5.131 9.643 ( 11.701 11.697 2.518) 16.736 9.668 ( 0.561 -2.677 0.998) 2.911 9.964 ( 1.557 -0.971 -3.034) 3.546 10.044 ( -4.191 -6.781 -2.178) 8.263 10.136 ( 3.679 0.670 -3.978) 5.460 10.224 ( 1.006 3.430 0.097) 3.575 10.239 ( -0.430 -2.256 -0.109) 2.299 11.407 ( -14.489 -7.044 -2.035) 16.238 11.561 ( -1.675 3.394 -0.637) 3.838 11.638 ( 1.638 -1.995 -1.242) 2.865 11.769 ( 1.677 2.167 0.943) 2.897 11.816 ( -2.027 2.490 8.402) 8.995 12.046 ( 5.153 8.764 -2.134) 10.388 12.235 ( -0.277 0.674 -5.619) 5.666 12.417 ( 7.437 3.233 -0.341) 8.117 12.733 ( 2.789 -5.589 8.935) 10.902 13.015 ( -3.453 -0.972 -1.425) 3.860 13.809 ( -5.096 -14.699 -7.661) 17.341 16.174 ( 0.765 1.239 2.146) 2.593 16.432 ( -0.760 -0.081 0.535) 0.933 17.466 ( 4.485 -0.110 1.678) 4.790 17.529 ( 1.928 6.384 -8.170) 10.547 17.943 ( 11.285 -5.241 -1.332) 12.513 18.048 ( -3.545 10.629 -10.922) 15.647 18.806 ( -4.708 -2.668 9.049) 10.543 20.265 ( -7.636 -7.344 7.100) 12.753 ======================= Grid point 15 (10/215) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 24.506 17.707 6.420) 30.908 1.485 ( 18.003 18.188 19.796) 32.355 2.567 ( 37.030 17.678 30.196) 50.946 2.811 ( 6.109 2.908 3.646) 7.686 2.991 ( 4.697 3.843 -3.045) 6.790 3.107 ( -2.043 -4.356 -0.793) 4.876 3.343 ( -1.094 0.919 -11.623) 11.710 3.542 ( 4.017 9.675 -4.684) 11.475 3.639 ( -1.116 0.328 0.487) 1.261 3.928 ( -8.045 -3.548 1.527) 8.925 4.011 ( -0.689 -7.569 -4.454) 8.809 4.193 ( -2.128 -0.587 1.489) 2.663 4.504 ( -15.571 -2.926 -2.669) 16.067 4.821 ( 4.267 3.856 -1.470) 5.936 4.931 ( -4.829 -2.489 -5.423) 7.676 5.034 ( -0.365 -2.618 -1.783) 3.189 5.168 ( 5.928 0.731 2.518) 6.482 5.369 ( -9.082 3.251 3.239) 10.175 5.537 ( -10.116 -1.610 -3.307) 10.763 5.857 ( -6.318 0.593 1.319) 6.481 5.962 ( 1.829 -4.142 -0.888) 4.614 6.032 ( -6.101 -3.259 -0.973) 6.985 6.402 ( -5.731 0.458 -2.889) 6.434 6.527 ( -2.747 5.104 3.835) 6.950 6.691 ( 5.729 2.732 -3.492) 7.245 6.964 ( 3.763 0.785 2.947) 4.843 7.219 ( -0.500 1.829 4.840) 5.199 7.438 ( -0.569 0.528 -10.572) 10.600 7.558 ( 5.053 0.176 2.970) 5.863 7.744 ( 0.190 0.092 -0.764) 0.793 8.948 ( 3.761 -0.734 2.108) 4.373 9.121 ( -1.748 1.201 8.170) 8.440 9.273 ( 0.803 -4.755 1.377) 5.015 9.507 ( 6.860 1.661 2.593) 7.519 9.684 ( -0.227 -1.330 3.699) 3.937 9.771 ( -0.224 -2.101 -5.429) 5.825 9.935 ( -4.190 0.297 -0.263) 4.208 10.013 ( 8.525 5.457 0.006) 10.122 10.133 ( 0.372 0.476 -2.426) 2.500 10.223 ( -0.647 0.059 3.637) 3.695 10.296 ( 5.560 2.607 0.170) 6.143 11.201 ( -11.880 -13.739 4.395) 18.687 11.553 ( 0.211 3.466 0.123) 3.474 11.672 ( 4.234 0.629 -1.976) 4.715 11.786 ( -3.453 2.565 1.068) 4.432 11.851 ( -0.239 2.170 6.633) 6.983 12.181 ( 9.284 5.153 2.186) 10.842 12.229 ( 5.943 -0.562 -5.641) 8.213 12.512 ( 6.132 5.655 -2.636) 8.748 12.789 ( -0.724 -2.531 1.412) 2.987 12.919 ( -5.083 0.841 -3.144) 6.036 13.598 ( -6.405 -14.152 -12.004) 19.631 16.228 ( 1.764 0.783 3.731) 4.200 16.427 ( -0.994 -0.576 1.277) 1.718 17.457 ( 2.370 5.343 -10.489) 12.008 17.513 ( -1.996 7.598 2.936) 8.387 17.825 ( -5.692 6.744 -12.523) 15.320 18.102 ( 10.244 -4.634 -8.384) 14.025 18.898 ( -1.272 -1.070 19.123) 19.195 20.210 ( -7.767 -10.550 5.091) 14.055 ======================= Grid point 16 (11/215) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 22.398 11.544 7.598) 26.318 1.962 ( 14.115 15.716 19.472) 28.730 2.910 ( 4.045 0.470 -1.246) 4.258 2.997 ( -3.689 2.821 -6.929) 8.342 3.039 ( 2.401 3.898 -0.957) 4.677 3.140 ( -2.796 1.800 -12.483) 12.918 3.403 ( 22.718 -0.240 11.548) 25.486 3.603 ( 1.450 3.349 -5.495) 6.597 3.658 ( 12.958 9.569 9.234) 18.567 3.759 ( -12.482 -3.606 -1.985) 13.143 3.962 ( 0.918 -6.053 -1.591) 6.326 4.233 ( 2.738 0.037 3.228) 4.233 4.310 ( -9.133 0.798 5.512) 10.697 4.693 ( -9.328 -7.089 -7.114) 13.707 4.940 ( 3.788 5.989 -0.220) 7.089 5.006 ( 0.618 1.519 -1.107) 1.979 5.203 ( -7.005 -2.341 1.887) 7.623 5.351 ( 3.096 -0.074 -0.685) 3.172 5.366 ( -0.410 0.633 -3.649) 3.726 5.760 ( -6.532 2.290 -0.336) 6.930 5.884 ( -8.698 -1.859 -2.791) 9.322 5.955 ( -5.095 -1.831 3.681) 6.547 6.312 ( -0.833 2.949 -4.103) 5.121 6.541 ( -2.627 4.721 6.016) 8.086 6.769 ( 7.996 1.700 -3.320) 8.823 7.023 ( -1.512 0.162 1.220) 1.949 7.264 ( -0.746 0.703 6.567) 6.646 7.283 ( -2.515 1.733 -9.255) 9.746 7.681 ( 4.822 -1.287 3.190) 5.923 7.747 ( 2.130 0.711 -0.576) 2.318 9.034 ( 3.023 -2.233 3.320) 5.014 9.163 ( -1.136 -2.922 2.018) 3.728 9.298 ( 0.986 -6.107 -1.076) 6.279 9.553 ( -8.674 -4.771 -7.024) 12.138 9.606 ( 3.124 -2.141 0.749) 3.860 9.793 ( -3.816 1.638 5.066) 6.550 9.906 ( 2.963 0.152 0.933) 3.110 10.025 ( -2.169 2.451 -0.803) 3.371 10.227 ( 2.594 2.328 3.049) 4.631 10.300 ( 5.498 -2.478 6.409) 8.800 10.448 ( 12.658 4.266 3.305) 13.760 11.115 ( -8.444 -18.244 8.195) 21.710 11.578 ( 1.663 7.575 1.959) 7.999 11.676 ( -2.088 -0.130 -2.798) 3.493 11.774 ( 3.436 3.535 0.385) 4.944 11.945 ( 1.380 1.031 6.729) 6.946 12.255 ( 5.235 -0.929 -7.284) 9.018 12.311 ( 4.594 4.851 -0.249) 6.686 12.539 ( 2.067 6.270 -4.850) 8.192 12.783 ( -2.590 2.149 -2.563) 4.231 12.820 ( 1.660 0.959 -1.737) 2.587 13.375 ( -4.004 -12.681 -11.728) 17.731 16.308 ( 2.531 -0.276 4.265) 4.967 16.433 ( -0.584 -1.270 2.412) 2.788 17.370 ( 1.106 4.386 -10.548) 11.477 17.460 ( -6.972 10.306 0.055) 12.443 17.617 ( -3.787 4.131 -8.811) 10.443 18.046 ( -1.870 3.644 -11.988) 12.669 19.198 ( 8.361 -5.396 21.476) 23.670 20.138 ( -6.801 -11.768 3.019) 13.923 ======================= Grid point 17 (12/215) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 17.709 8.169 5.986) 20.400 2.360 ( 10.276 12.396 17.127) 23.507 2.807 ( -1.749 2.393 -14.986) 15.277 2.856 ( -4.043 4.826 -5.896) 8.625 2.984 ( 1.110 3.095 -7.068) 7.795 3.155 ( 4.129 3.873 0.855) 5.725 3.397 ( -11.473 3.859 -7.571) 14.278 3.471 ( -5.575 1.813 -3.676) 6.919 3.695 ( 1.834 -1.264 1.930) 2.947 3.911 ( 1.186 -6.298 -0.564) 6.433 4.215 ( 3.991 -3.110 11.361) 12.437 4.274 ( 8.028 1.002 8.628) 11.827 4.409 ( 8.272 3.635 4.494) 10.091 4.482 ( -6.584 -4.955 -0.835) 8.282 4.912 ( -1.371 2.188 -3.993) 4.756 5.085 ( 4.490 3.919 1.842) 6.238 5.129 ( -2.635 -2.426 -0.273) 3.592 5.298 ( 3.072 -1.049 -0.307) 3.261 5.496 ( 9.572 0.452 -3.329) 10.144 5.612 ( -10.281 1.899 -4.940) 11.563 5.713 ( -6.384 2.499 0.072) 6.856 5.952 ( -2.985 -1.640 6.932) 7.724 6.277 ( 1.396 5.163 -2.561) 5.930 6.569 ( -2.310 4.153 5.695) 7.417 6.830 ( 4.510 -0.015 -4.476) 6.354 6.882 ( -10.253 1.520 -7.439) 12.759 7.209 ( -0.726 0.561 -1.187) 1.500 7.374 ( 3.293 -0.925 9.216) 9.830 7.743 ( 2.479 -1.268 -0.096) 2.786 7.839 ( 5.855 -0.858 2.985) 6.628 9.076 ( -3.569 -5.691 -3.765) 7.701 9.129 ( -1.540 -0.871 3.230) 3.683 9.251 ( -2.998 -5.803 -4.101) 7.712 9.380 ( -3.266 -0.296 -4.628) 5.672 9.623 ( -3.037 -2.014 1.752) 4.044 9.781 ( 1.134 -1.508 0.217) 1.899 9.915 ( 1.190 -1.119 -2.583) 3.056 10.015 ( -2.342 1.848 0.175) 2.989 10.333 ( 4.028 -3.000 7.319) 8.877 10.439 ( 2.656 -4.248 5.936) 7.768 10.757 ( 15.133 -0.137 10.090) 18.189 11.106 ( -5.558 -15.460 10.295) 19.388 11.589 ( -3.782 2.047 -2.238) 4.848 11.645 ( 3.296 9.367 0.833) 9.965 11.856 ( 5.229 3.177 0.671) 6.155 12.008 ( -1.045 -2.453 2.342) 3.549 12.211 ( -1.804 -2.148 -4.330) 5.159 12.332 ( 2.069 3.196 -4.382) 5.805 12.494 ( 1.955 6.359 -7.258) 9.846 12.677 ( -2.198 10.208 -5.185) 11.658 12.917 ( 6.158 -0.943 2.533) 6.725 13.224 ( -0.939 -10.142 -8.528) 13.284 16.394 ( 2.453 -1.966 3.687) 4.845 16.466 ( 0.389 -2.057 3.592) 4.157 17.243 ( -4.114 5.464 -6.705) 9.578 17.347 ( 0.400 6.068 -8.804) 10.700 17.504 ( -5.441 10.010 -0.339) 11.399 17.827 ( -7.946 8.641 -11.180) 16.212 19.570 ( 9.973 -9.053 16.706) 21.460 20.067 ( -5.142 -12.292 1.685) 13.430 ======================= Grid point 18 (13/215) ======================= q-point: ( 0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 8.539 6.238 3.690) 11.200 2.654 ( 1.058 8.917 1.652) 9.130 2.684 ( 10.201 3.827 0.766) 10.922 2.760 ( -0.290 6.023 -3.084) 6.773 2.887 ( -2.265 7.867 -8.145) 11.549 3.139 ( -8.385 3.468 -5.083) 10.401 3.166 ( -6.485 5.365 -1.034) 8.480 3.373 ( -2.528 2.121 0.440) 3.329 3.747 ( 2.397 2.460 0.450) 3.464 3.922 ( 1.054 -8.034 -0.153) 8.104 4.211 ( -4.970 -9.042 1.838) 10.480 4.368 ( 0.291 0.873 0.584) 1.090 4.493 ( 6.278 -0.982 2.764) 6.930 4.700 ( 6.370 0.053 9.468) 11.412 4.844 ( -2.589 -0.939 -2.075) 3.448 5.080 ( -1.339 -0.606 -0.882) 1.714 5.135 ( 1.178 0.811 -2.158) 2.589 5.379 ( -8.423 5.017 -4.493) 10.784 5.473 ( 11.015 0.100 3.107) 11.445 5.534 ( 0.522 5.854 -2.904) 6.556 5.711 ( 3.581 -1.306 0.444) 3.837 6.018 ( 1.136 -1.105 8.777) 8.919 6.300 ( 3.205 5.432 -1.522) 6.488 6.567 ( -6.947 1.111 -1.337) 7.161 6.624 ( -7.279 3.488 -2.938) 8.590 6.825 ( 1.039 -1.205 -3.223) 3.594 7.188 ( -1.220 1.004 0.011) 1.580 7.539 ( 4.123 -2.942 7.484) 9.037 7.777 ( 2.018 -2.400 -0.839) 3.246 7.958 ( 4.534 -2.271 2.581) 5.690 8.917 ( -6.928 -3.051 -3.793) 8.467 9.088 ( -4.405 0.304 -3.369) 5.553 9.220 ( -0.362 -2.414 4.309) 4.952 9.317 ( 0.787 1.473 -5.288) 5.545 9.583 ( -2.804 0.034 0.788) 2.913 9.800 ( 1.518 -4.386 -1.738) 4.956 9.935 ( 1.469 -3.397 -0.439) 3.727 9.964 ( -0.863 -2.065 -0.891) 2.409 10.454 ( 2.425 -8.115 4.031) 9.380 10.511 ( -0.344 -9.765 3.596) 10.412 11.094 ( 8.390 -1.286 11.247) 14.091 11.182 ( 1.316 -6.189 11.901) 13.479 11.503 ( -2.034 2.837 -4.228) 5.483 11.688 ( 1.772 7.191 -1.020) 7.476 11.916 ( 1.084 4.607 -2.227) 5.230 11.957 ( -2.820 -3.161 -3.350) 5.401 12.139 ( -2.975 -5.513 0.145) 6.267 12.312 ( 1.054 2.472 -2.758) 3.851 12.444 ( 0.527 5.086 -4.592) 6.873 12.634 ( 1.872 14.374 -2.796) 14.763 13.026 ( 3.631 -0.586 2.087) 4.229 13.145 ( 0.207 -8.672 -4.866) 9.946 16.461 ( 1.662 -4.021 2.243) 4.895 16.515 ( 0.485 -3.115 3.140) 4.450 17.149 ( -0.476 9.298 -2.079) 9.540 17.271 ( 2.197 6.901 -8.872) 11.453 17.413 ( -7.144 13.220 1.329) 15.086 17.596 ( -6.331 8.160 -6.980) 12.465 19.848 ( 6.095 -11.083 9.076) 15.568 20.017 ( -2.816 -12.534 0.773) 12.870 ======================= Grid point 19 (14/215) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 194 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -0.000 4.742 0.000) 4.742 2.674 ( -0.000 9.584 0.000) 9.584 2.753 ( 0.000 3.850 -0.000) 3.850 2.791 ( 0.000 7.672 0.000) 7.672 2.923 ( -0.000 5.629 -0.000) 5.629 2.945 ( 0.000 5.873 0.000) 5.873 3.082 ( 0.000 6.420 0.000) 6.420 3.368 ( 0.000 1.304 0.000) 1.304 3.770 ( 0.000 3.726 0.000) 3.726 3.932 ( 0.000 -7.392 0.000) 7.392 4.175 ( 0.000 -10.484 -0.000) 10.484 4.384 ( 0.000 0.969 0.000) 0.969 4.574 ( 0.000 0.120 0.000) 0.120 4.775 ( -0.000 -10.127 0.000) 10.127 4.833 ( 0.000 4.942 0.000) 4.942 5.073 ( 0.000 -0.065 0.000) 0.065 5.105 ( 0.000 -1.121 -0.000) 1.121 5.280 ( 0.000 8.987 0.000) 8.987 5.514 ( 0.000 7.727 0.000) 7.727 5.596 ( -0.000 -0.206 0.000) 0.206 5.752 ( 0.000 -2.556 0.000) 2.556 6.168 ( -0.000 -1.364 -0.000) 1.364 6.256 ( 0.000 2.310 0.000) 2.310 6.426 ( -0.000 3.757 -0.000) 3.757 6.601 ( -0.000 2.805 0.000) 2.805 6.813 ( 0.000 -1.437 0.000) 1.437 7.177 ( 0.000 1.400 0.000) 1.400 7.623 ( 0.000 -4.070 -0.000) 4.070 7.785 ( 0.000 -3.381 0.000) 3.381 8.014 ( 0.000 -2.915 0.000) 2.915 8.833 ( 0.000 -1.088 0.000) 1.088 9.023 ( 0.000 1.749 0.000) 1.749 9.265 ( 0.000 0.472 -0.000) 0.472 9.273 ( 0.000 0.465 0.000) 0.465 9.564 ( 0.000 0.640 0.000) 0.640 9.800 ( 0.000 -6.166 0.000) 6.166 9.921 ( 0.000 1.094 0.000) 1.094 9.981 ( 0.000 -8.607 0.000) 8.607 10.498 ( 0.000 -10.863 0.000) 10.863 10.521 ( 0.000 -12.261 -0.000) 12.261 11.198 ( 0.000 -0.154 -0.000) 0.154 11.345 ( 0.000 0.147 0.000) 0.147 11.448 ( 0.000 2.594 0.000) 2.594 11.689 ( -0.000 1.880 0.000) 1.880 11.867 ( -0.000 2.861 0.000) 2.861 11.908 ( 0.000 0.250 0.000) 0.250 12.132 ( -0.000 -5.021 0.000) 5.021 12.305 ( 0.000 1.968 -0.000) 1.968 12.423 ( -0.000 4.506 -0.000) 4.506 12.639 ( 0.000 15.260 0.000) 15.260 13.068 ( -0.000 -0.299 -0.000) 0.299 13.119 ( 0.000 -8.794 0.000) 8.794 16.489 ( 0.000 -5.287 0.000) 5.287 16.537 ( -0.000 -3.603 0.000) 3.603 17.162 ( -0.000 13.296 -0.000) 13.296 17.223 ( 0.000 9.900 0.000) 9.900 17.340 ( 0.000 10.952 -0.000) 10.952 17.510 ( 0.000 7.022 0.000) 7.022 19.950 ( 0.000 -11.675 0.000) 11.675 19.998 ( 0.000 -12.674 0.000) 12.674 ======================= Grid point 26 (15/215) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 27.720 0.000) 27.720 1.570 ( 0.000 36.132 0.000) 36.132 2.267 ( 0.000 44.502 0.000) 44.502 2.816 ( 0.000 9.165 0.000) 9.165 2.945 ( 0.000 -5.088 0.000) 5.088 2.971 ( 0.000 -1.568 0.000) 1.568 3.368 ( 0.000 0.468 0.000) 0.468 3.620 ( 0.000 -0.590 0.000) 0.590 3.940 ( 0.000 4.176 0.000) 4.176 3.947 ( 0.000 -8.316 0.000) 8.316 4.016 ( 0.000 7.434 0.000) 7.434 4.261 ( 0.000 -1.346 0.000) 1.346 4.671 ( 0.000 -14.092 0.000) 14.092 4.826 ( 0.000 -2.821 0.000) 2.821 4.912 ( 0.000 3.411 0.000) 3.411 5.041 ( 0.000 -2.004 0.000) 2.004 5.206 ( 0.000 0.891 0.000) 0.891 5.401 ( 0.000 -3.558 0.000) 3.558 5.781 ( 0.000 5.023 0.000) 5.023 5.810 ( 0.000 -3.768 0.000) 3.768 5.862 ( 0.000 -0.925 0.000) 0.925 6.059 ( 0.000 -6.059 0.000) 6.059 6.376 ( 0.000 -6.997 0.000) 6.997 6.647 ( 0.000 2.065 0.000) 2.065 6.816 ( 0.000 1.667 0.000) 1.667 6.822 ( 0.000 -0.674 0.000) 0.674 7.289 ( 0.000 5.128 0.000) 5.128 7.373 ( 0.000 -1.198 0.000) 1.198 7.461 ( 0.000 2.979 0.000) 2.979 7.749 ( 0.000 -0.851 0.000) 0.851 8.951 ( 0.000 6.052 0.000) 6.052 9.169 ( 0.000 3.355 0.000) 3.355 9.358 ( 0.000 5.334 0.000) 5.334 9.502 ( 0.000 6.057 0.000) 6.057 9.562 ( 0.000 2.700 0.000) 2.700 9.779 ( 0.000 2.955 0.000) 2.955 9.860 ( 0.000 -6.438 0.000) 6.438 9.933 ( 0.000 -8.462 0.000) 8.462 10.071 ( 0.000 -2.777 0.000) 2.777 10.213 ( 0.000 -1.532 0.000) 1.532 10.341 ( 0.000 11.843 0.000) 11.843 11.489 ( 0.000 -0.037 0.000) 0.037 11.496 ( 0.000 -5.855 0.000) 5.855 11.738 ( 0.000 -3.280 0.000) 3.280 11.781 ( 0.000 1.306 0.000) 1.306 11.790 ( 0.000 4.875 0.000) 4.875 12.296 ( 0.000 -1.823 0.000) 1.823 12.300 ( 0.000 12.588 0.000) 12.588 12.479 ( 0.000 3.228 0.000) 3.228 12.485 ( 0.000 2.369 0.000) 2.369 13.010 ( 0.000 -2.267 0.000) 2.267 13.506 ( 0.000 -21.263 0.000) 21.263 16.202 ( 0.000 3.113 0.000) 3.113 16.438 ( 0.000 0.066 0.000) 0.066 17.275 ( 0.000 -6.323 0.000) 6.323 17.663 ( 0.000 -10.691 0.000) 10.691 17.704 ( 0.000 6.906 0.000) 6.906 18.537 ( 0.000 21.661 0.000) 21.661 18.643 ( 0.000 -8.941 0.000) 8.941 20.196 ( 0.000 -6.051 0.000) 6.051 ======================= Grid point 27 (16/215) ======================= q-point: ( 0.08 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 18.296 22.323 9.068) 30.254 1.625 ( 11.857 32.772 -5.211) 35.238 2.507 ( 12.920 37.440 20.002) 44.370 2.832 ( 1.570 6.627 0.599) 6.837 2.960 ( 2.352 -4.265 -0.028) 4.870 3.008 ( 5.100 1.496 -1.025) 5.413 3.383 ( 1.690 -1.497 -1.396) 2.654 3.635 ( 1.365 0.665 0.593) 1.630 3.840 ( -7.037 -0.895 -3.942) 8.115 3.928 ( -3.220 -6.196 -1.551) 7.153 3.970 ( -3.010 7.426 -1.025) 8.078 4.242 ( -0.600 0.618 -2.624) 2.762 4.597 ( -6.860 -9.116 -1.653) 11.528 4.839 ( 2.250 -3.429 -3.098) 5.139 4.924 ( -1.131 0.273 3.384) 3.579 5.019 ( -4.244 -2.633 -0.435) 5.014 5.155 ( 5.231 5.465 -4.851) 8.987 5.474 ( -2.472 -1.509 6.445) 7.065 5.704 ( -7.999 0.309 -2.057) 8.265 5.835 ( 6.169 -0.412 -1.309) 6.319 5.882 ( -3.015 -1.854 3.144) 4.734 6.017 ( -3.992 -5.497 -0.059) 6.794 6.365 ( -1.392 -6.520 0.546) 6.689 6.661 ( 1.627 1.963 0.158) 2.554 6.689 ( -3.722 0.137 -3.763) 5.295 6.940 ( 4.406 2.927 2.491) 5.847 7.286 ( -0.885 5.960 0.751) 6.072 7.413 ( 7.609 -2.272 -4.734) 9.245 7.503 ( 2.604 1.725 1.735) 3.573 7.748 ( 0.400 -0.370 -0.724) 0.906 8.942 ( 0.364 4.492 -1.575) 4.774 9.171 ( -5.802 3.570 7.640) 10.236 9.309 ( -6.742 4.162 0.318) 7.930 9.446 ( 2.848 2.234 1.382) 3.875 9.670 ( -2.424 2.280 1.300) 3.572 9.791 ( 2.293 -0.104 3.513) 4.196 9.883 ( 1.682 -5.958 0.206) 6.194 9.924 ( 1.699 -5.658 -2.154) 6.288 10.060 ( 2.217 -4.417 -1.909) 5.298 10.211 ( 0.271 0.150 -0.713) 0.778 10.386 ( 3.682 12.442 1.411) 13.052 11.233 ( -20.783 -8.764 -1.468) 22.603 11.636 ( 5.851 2.903 2.258) 6.911 11.641 ( -4.349 0.928 -1.903) 4.837 11.780 ( 1.268 -0.834 1.049) 1.845 11.875 ( 0.242 3.993 6.582) 7.702 12.197 ( -3.069 1.784 -1.944) 4.047 12.274 ( 5.527 6.949 -8.351) 12.190 12.546 ( 8.662 8.444 1.842) 12.236 12.677 ( 6.646 -0.919 4.886) 8.300 12.988 ( -2.185 -1.290 -0.386) 2.566 13.426 ( -4.512 -20.497 -7.104) 22.158 16.215 ( 0.096 2.713 2.201) 3.495 16.428 ( -1.458 -0.283 0.523) 1.575 17.393 ( 10.894 -5.926 2.038) 12.568 17.662 ( 2.512 5.416 -9.374) 11.114 17.759 ( 10.252 -10.159 -0.403) 14.438 18.303 ( -4.372 8.782 -20.495) 22.722 18.792 ( -5.048 4.559 20.202) 21.316 20.128 ( -10.261 -6.545 3.961) 12.799 ======================= Grid point 28 (17/215) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 17.767 22.601 2.849) 28.890 1.860 ( 20.093 19.753 11.352) 30.377 2.841 ( 2.417 1.229 2.607) 3.761 2.983 ( 10.118 2.774 1.311) 10.573 3.045 ( 8.086 8.158 9.840) 15.125 3.120 ( 9.932 11.508 5.098) 16.033 3.322 ( -1.734 -2.304 -10.231) 10.629 3.671 ( 2.348 3.903 -0.508) 4.583 3.713 ( 1.525 2.726 -8.338) 8.904 3.826 ( -8.248 -5.578 4.455) 10.908 3.953 ( 0.958 0.740 0.576) 1.340 4.190 ( -1.240 3.008 -3.300) 4.634 4.454 ( -11.412 -0.573 3.594) 11.978 4.743 ( -3.944 -6.786 -10.381) 13.014 4.955 ( 0.441 -3.137 3.666) 4.845 5.016 ( 2.609 6.013 1.607) 6.749 5.227 ( 5.292 3.848 -1.128) 6.639 5.416 ( -7.615 1.239 0.137) 7.716 5.532 ( -8.914 1.036 -4.255) 9.931 5.828 ( -7.348 -2.767 4.444) 9.023 5.887 ( -0.420 -4.482 0.016) 4.502 5.976 ( -1.801 -1.991 0.087) 2.686 6.354 ( -0.108 -2.012 0.460) 2.066 6.640 ( 0.405 2.591 -0.643) 2.700 6.703 ( 3.983 0.276 -0.574) 4.034 7.018 ( 1.742 4.180 3.013) 5.440 7.284 ( -1.019 3.851 1.603) 4.294 7.436 ( 3.312 -0.759 -9.512) 10.101 7.570 ( 3.551 1.164 2.448) 4.467 7.748 ( 1.347 0.341 -1.513) 2.054 8.941 ( 0.696 0.540 -0.024) 0.881 9.119 ( -8.471 -1.173 5.954) 10.420 9.269 ( -2.296 3.219 2.352) 4.601 9.488 ( -1.446 -4.120 -0.558) 4.402 9.658 ( -3.093 -0.494 6.403) 7.128 9.747 ( 1.991 1.047 -4.638) 5.155 9.898 ( -0.503 -3.452 -1.599) 3.837 10.002 ( 0.195 -9.295 1.579) 9.430 10.121 ( 4.740 0.002 6.020) 7.662 10.222 ( 2.469 0.872 -1.056) 2.824 10.463 ( 3.515 11.068 1.448) 11.703 10.892 ( -22.172 -13.772 6.298) 26.850 11.595 ( 0.213 -0.856 -0.641) 1.090 11.729 ( 0.601 3.448 1.851) 3.959 11.816 ( 1.567 2.149 2.462) 3.624 11.918 ( 0.565 4.404 2.829) 5.265 12.228 ( 5.684 0.417 0.133) 5.701 12.326 ( 10.190 7.459 -5.413) 13.740 12.680 ( 7.137 10.350 -1.695) 12.686 12.761 ( 1.838 -0.540 -1.438) 2.395 12.953 ( -0.286 2.813 -1.064) 3.021 13.237 ( -4.966 -18.823 -11.414) 22.566 16.252 ( 0.226 1.562 3.807) 4.121 16.410 ( -1.926 -1.019 1.211) 2.492 17.559 ( 6.325 2.899 -10.070) 12.240 17.604 ( 5.197 1.788 -0.105) 5.497 17.849 ( 2.411 -7.374 -15.399) 17.243 18.096 ( 6.681 4.986 -7.912) 11.493 18.916 ( -7.724 4.254 21.781) 23.498 19.991 ( -12.682 -9.556 5.118) 16.684 ======================= Grid point 29 (18/215) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 20.136 18.374 1.392) 27.295 2.296 ( 12.066 15.161 17.339) 26.002 2.898 ( 2.758 -2.715 1.484) 4.144 3.014 ( 1.841 -0.066 -8.977) 9.164 3.096 ( -3.714 -2.196 -8.501) 9.534 3.185 ( 5.174 5.062 0.308) 7.245 3.434 ( 8.745 2.612 -1.305) 9.219 3.639 ( -7.432 -3.470 1.500) 8.338 3.674 ( 1.738 2.782 -3.724) 4.963 3.915 ( 6.310 2.929 4.744) 8.421 3.999 ( 8.052 13.158 2.325) 15.600 4.167 ( -1.894 -3.250 3.717) 5.288 4.364 ( -4.989 5.150 7.294) 10.228 4.545 ( -5.588 -5.651 -9.871) 12.673 5.004 ( 1.293 -0.130 2.197) 2.553 5.099 ( 5.688 6.918 0.902) 9.002 5.181 ( -7.982 0.823 -2.361) 8.365 5.346 ( -6.315 0.402 -3.260) 7.118 5.392 ( 5.155 1.480 -1.842) 5.670 5.772 ( -5.642 -1.160 2.628) 6.331 5.815 ( -7.056 -4.986 -0.665) 8.665 5.940 ( -3.620 -0.238 2.174) 4.230 6.376 ( 2.284 3.985 -0.726) 4.650 6.661 ( 0.329 5.016 2.303) 5.529 6.772 ( 5.556 -0.949 -1.446) 5.819 7.054 ( -2.004 3.316 1.920) 4.324 7.291 ( -0.186 1.192 1.311) 1.781 7.324 ( -2.505 2.078 -8.143) 8.769 7.658 ( 3.583 -0.670 2.183) 4.249 7.759 ( 2.477 0.446 -1.475) 2.917 8.948 ( -0.633 -5.198 0.166) 5.239 9.080 ( -4.349 -3.534 5.365) 7.758 9.240 ( -1.657 -1.328 -2.362) 3.176 9.389 ( -5.583 -6.735 -2.416) 9.076 9.644 ( -2.575 3.054 1.357) 4.219 9.835 ( -3.362 1.884 -0.371) 3.872 9.871 ( 3.850 -4.360 3.713) 6.901 9.966 ( -3.066 -7.690 2.376) 8.613 10.239 ( 1.942 -1.527 -1.518) 2.900 10.263 ( 0.958 -1.401 4.534) 4.841 10.539 ( 1.766 1.801 8.093) 8.477 10.744 ( -9.564 -13.400 13.529) 21.309 11.604 ( -0.014 -3.548 -0.451) 3.576 11.716 ( -1.415 2.515 3.168) 4.285 11.905 ( 5.391 9.035 1.270) 10.597 11.974 ( 4.227 2.216 -1.642) 5.047 12.270 ( 1.021 1.442 -3.206) 3.661 12.441 ( 5.983 6.602 -0.836) 8.949 12.719 ( 3.933 9.753 -9.465) 14.148 12.759 ( 3.360 0.496 -0.497) 3.433 12.936 ( 0.016 3.416 -4.752) 5.852 13.082 ( 2.847 -10.669 -9.468) 14.546 16.303 ( 0.218 -0.162 4.408) 4.416 16.399 ( -1.643 -1.941 2.142) 3.325 17.469 ( 2.985 4.652 -13.969) 15.023 17.606 ( -1.826 2.272 -16.143) 16.404 17.725 ( 1.494 5.419 3.699) 6.729 18.170 ( 5.481 6.619 -6.559) 10.811 19.075 ( -2.103 -4.775 21.914) 22.527 19.852 ( -10.846 -14.045 3.737) 18.134 ======================= Grid point 30 (19/215) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 17.565 14.311 0.696) 22.668 2.600 ( 4.341 8.820 13.474) 16.679 2.872 ( 0.669 3.303 -10.700) 11.218 2.926 ( -0.351 1.351 -3.774) 4.024 3.046 ( 0.929 3.595 0.840) 3.807 3.251 ( 3.193 4.062 -1.343) 5.338 3.455 ( -3.131 -2.816 -3.048) 5.199 3.520 ( -4.043 6.161 -2.522) 7.789 3.662 ( -0.273 0.261 0.139) 0.403 3.908 ( 1.498 4.255 -4.412) 6.310 4.126 ( -8.274 -5.978 5.378) 11.538 4.287 ( 9.696 -0.003 4.460) 10.672 4.387 ( -1.781 -1.870 -4.558) 5.239 4.507 ( 8.296 6.593 8.130) 13.356 4.999 ( -5.326 5.220 -1.748) 7.660 5.077 ( 0.525 -1.030 0.866) 1.445 5.187 ( 2.107 4.874 -1.290) 5.465 5.288 ( 5.071 1.102 0.850) 5.259 5.483 ( 6.793 -1.451 -1.436) 7.093 5.634 ( -8.030 -0.266 -3.703) 8.846 5.751 ( -3.445 0.222 2.228) 4.109 5.929 ( -2.548 -0.434 5.109) 5.725 6.399 ( 1.814 6.231 -0.692) 6.526 6.685 ( -1.122 5.533 2.329) 6.107 6.812 ( 2.528 -1.350 -4.108) 5.009 6.931 ( -10.068 3.427 -6.305) 12.364 7.236 ( 0.455 1.906 -2.436) 3.126 7.353 ( 1.367 -0.853 6.942) 7.127 7.713 ( 2.004 -1.469 -0.544) 2.544 7.810 ( 4.262 -1.807 0.864) 4.709 8.911 ( -2.963 -8.866 -1.919) 9.543 9.095 ( -1.439 -2.536 5.660) 6.367 9.153 ( -5.098 -3.435 -1.653) 6.366 9.332 ( 1.337 -3.946 -3.379) 5.364 9.613 ( -4.386 1.122 3.476) 5.708 9.747 ( -3.778 -1.672 -2.167) 4.665 9.839 ( -3.129 -6.620 -4.064) 8.374 10.019 ( -1.353 -4.674 3.307) 5.883 10.237 ( 1.004 -5.771 -2.468) 6.356 10.275 ( -4.810 -8.899 5.939) 11.730 10.759 ( 7.138 -0.806 17.689) 19.092 10.850 ( -0.472 -7.500 17.134) 18.709 11.572 ( -0.427 -1.648 -3.031) 3.476 11.797 ( 3.243 1.949 6.397) 7.432 11.950 ( -1.098 4.820 -3.138) 5.856 12.006 ( 6.938 5.517 -6.091) 10.755 12.202 ( -3.503 0.864 -4.641) 5.878 12.459 ( -0.015 7.527 -3.427) 8.271 12.634 ( 0.308 4.805 -9.341) 10.509 12.832 ( 5.089 4.536 -1.467) 6.973 12.908 ( 2.839 -3.070 -1.106) 4.325 13.079 ( 7.046 2.889 -8.797) 11.635 16.350 ( -0.194 -2.143 3.723) 4.300 16.409 ( -0.686 -3.107 2.962) 4.348 17.358 ( 0.972 5.195 -8.999) 10.436 17.470 ( 5.635 6.523 -14.255) 16.659 17.761 ( -3.963 12.314 6.096) 14.300 18.082 ( -5.593 14.177 -7.498) 16.985 19.317 ( 4.017 -14.318 16.528) 22.233 19.736 ( -7.530 -18.195 1.859) 19.779 ======================= Grid point 31 (20/215) ======================= q-point: ( 0.42 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 4.352 9.822 0.060) 10.744 2.747 ( 10.580 3.701 -2.854) 11.567 2.853 ( -0.898 7.576 6.626) 10.104 2.878 ( 0.317 5.819 -0.552) 5.854 3.068 ( 1.412 7.538 -2.343) 8.019 3.232 ( -0.204 4.597 -6.626) 8.067 3.319 ( -8.739 6.480 -0.163) 10.880 3.422 ( -4.474 3.762 -2.038) 6.191 3.728 ( 4.515 -2.951 3.788) 6.592 3.900 ( 1.209 5.864 -2.577) 6.519 4.037 ( -5.535 -6.890 1.074) 8.903 4.358 ( -0.057 -1.317 2.705) 3.009 4.448 ( 7.397 -2.936 -0.753) 7.994 4.651 ( 0.821 -1.782 1.166) 2.283 4.922 ( -3.112 5.010 3.282) 6.749 5.106 ( 1.310 3.592 -0.248) 3.831 5.164 ( 0.020 2.703 -3.984) 4.814 5.443 ( -0.056 0.578 1.025) 1.178 5.484 ( 4.427 0.672 0.885) 4.564 5.597 ( 6.094 -0.059 -2.546) 6.605 5.732 ( -1.247 3.666 1.049) 4.012 5.990 ( 1.874 -1.535 7.771) 8.140 6.416 ( 0.845 4.941 -2.132) 5.448 6.611 ( -9.588 2.908 -4.348) 10.922 6.732 ( -3.985 6.060 -0.747) 7.291 6.774 ( -0.247 -2.968 -4.056) 5.032 7.235 ( 0.048 3.497 0.355) 3.515 7.464 ( 2.091 -3.945 5.764) 7.291 7.722 ( 1.437 -2.378 -2.163) 3.521 7.890 ( 3.427 -4.046 1.449) 5.496 8.832 ( -3.686 -5.077 -1.228) 6.393 9.074 ( -3.187 -1.661 -0.534) 3.633 9.161 ( 0.040 -3.415 7.765) 8.483 9.308 ( 2.303 -2.638 -6.604) 7.475 9.596 ( -2.932 1.185 4.078) 5.161 9.672 ( -2.361 -7.582 -3.350) 8.619 9.756 ( -2.313 -10.974 -1.223) 11.281 9.980 ( -1.853 -0.522 -3.154) 3.696 10.218 ( -1.311 -13.526 0.549) 13.601 10.263 ( -2.983 -10.116 2.766) 10.904 11.051 ( 2.380 -3.242 14.404) 14.955 11.118 ( 7.088 -0.687 22.962) 24.041 11.533 ( 1.604 1.061 -6.178) 6.470 11.835 ( -0.824 4.185 -9.948) 10.824 11.918 ( 0.648 0.034 5.199) 5.239 12.023 ( -0.512 5.851 -7.642) 9.638 12.069 ( -1.532 -1.197 -3.369) 3.890 12.408 ( -0.657 6.422 -2.779) 7.028 12.566 ( 0.660 6.009 -4.386) 7.469 12.877 ( 3.422 7.391 -1.728) 8.326 12.954 ( 0.467 -5.491 1.918) 5.835 13.089 ( 5.565 5.580 -7.068) 10.585 16.378 ( -0.299 -3.804 2.026) 4.320 16.435 ( -0.172 -4.239 2.372) 4.860 17.346 ( 4.814 9.361 -1.580) 10.644 17.431 ( 5.966 9.276 -10.040) 14.914 17.747 ( -5.711 16.348 5.546) 18.183 17.872 ( -9.074 16.981 -6.698) 20.385 19.527 ( 3.731 -19.138 8.610) 21.315 19.659 ( -3.848 -21.008 0.626) 21.367 ======================= Grid point 32 (21/215) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 194 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -0.000 7.417 0.000) 7.417 2.850 ( 0.000 4.785 0.000) 4.785 2.869 ( -0.000 6.922 0.000) 6.922 2.933 ( 0.000 7.506 -0.000) 7.506 3.049 ( -0.000 6.842 0.000) 6.842 3.168 ( -0.000 13.578 -0.000) 13.578 3.227 ( 0.000 3.859 0.000) 3.859 3.378 ( -0.000 0.242 0.000) 0.242 3.815 ( 0.000 -1.961 -0.000) 1.961 3.872 ( -0.000 3.193 0.000) 3.193 4.003 ( 0.000 -2.576 -0.000) 2.576 4.379 ( 0.000 -1.863 0.000) 1.863 4.528 ( 0.000 -3.503 -0.000) 3.503 4.618 ( -0.000 -4.642 -0.000) 4.642 4.940 ( 0.000 3.776 0.000) 3.776 5.113 ( -0.000 3.695 -0.000) 3.695 5.128 ( -0.000 4.711 0.000) 4.711 5.404 ( 0.000 2.863 0.000) 2.863 5.578 ( -0.000 -1.333 0.000) 1.333 5.636 ( 0.000 0.055 0.000) 0.055 5.729 ( 0.000 4.360 0.000) 4.360 6.120 ( -0.000 -3.036 -0.000) 3.036 6.317 ( -0.000 3.345 0.000) 3.345 6.520 ( -0.000 4.271 -0.000) 4.271 6.703 ( 0.000 6.586 0.000) 6.586 6.748 ( 0.000 -4.464 0.000) 4.464 7.238 ( 0.000 4.397 0.000) 4.397 7.515 ( 0.000 -5.761 -0.000) 5.761 7.720 ( 0.000 -2.320 0.000) 2.320 7.930 ( 0.000 -4.984 0.000) 4.984 8.792 ( 0.000 -2.741 0.000) 2.741 9.044 ( 0.000 -0.281 -0.000) 0.281 9.240 ( 0.000 -3.807 -0.000) 3.807 9.261 ( 0.000 -2.271 0.000) 2.271 9.600 ( 0.000 2.948 0.000) 2.948 9.622 ( 0.000 -10.365 -0.000) 10.365 9.737 ( 0.000 -14.060 0.000) 14.060 9.939 ( 0.000 -0.119 0.000) 0.119 10.213 ( -0.000 -14.561 0.000) 14.561 10.251 ( 0.000 -10.825 0.000) 10.825 11.169 ( 0.000 -2.428 -0.000) 2.428 11.401 ( 0.000 4.864 0.000) 4.864 11.458 ( 0.000 -2.197 -0.000) 2.197 11.752 ( -0.000 2.338 0.000) 2.338 11.895 ( -0.000 0.356 0.000) 0.356 11.946 ( 0.000 3.206 0.000) 3.206 12.088 ( 0.000 0.774 0.000) 0.774 12.388 ( 0.000 6.143 -0.000) 6.143 12.546 ( 0.000 6.882 -0.000) 6.882 12.899 ( -0.000 7.467 -0.000) 7.467 12.961 ( 0.000 -4.540 -0.000) 4.540 13.096 ( -0.000 4.491 0.000) 4.491 16.387 ( 0.000 -4.455 -0.000) 4.455 16.448 ( -0.000 -4.686 0.000) 4.686 17.404 ( -0.000 11.778 -0.000) 11.778 17.431 ( -0.000 9.962 0.000) 9.962 17.699 ( 0.000 19.947 0.000) 19.947 17.755 ( 0.000 15.394 0.000) 15.394 19.609 ( 0.000 -20.441 0.000) 20.441 19.629 ( 0.000 -22.117 0.000) 22.117 ======================= Grid point 39 (22/215) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.000 25.419 0.000) 25.419 2.280 ( 0.000 31.435 0.000) 31.435 2.857 ( 0.000 -7.109 0.000) 7.109 2.911 ( 0.000 2.550 0.000) 2.550 2.938 ( 0.000 17.157 0.000) 17.157 3.042 ( 0.000 9.028 0.000) 9.028 3.375 ( 0.000 0.547 0.000) 0.547 3.625 ( 0.000 0.428 0.000) 0.428 3.816 ( 0.000 -7.018 0.000) 7.018 3.827 ( 0.000 -0.543 0.000) 0.543 4.103 ( 0.000 -15.060 0.000) 15.060 4.257 ( 0.000 3.269 0.000) 3.269 4.524 ( 0.000 1.451 0.000) 1.451 4.719 ( 0.000 -2.888 0.000) 2.888 5.007 ( 0.000 0.244 0.000) 0.244 5.015 ( 0.000 4.557 0.000) 4.557 5.242 ( 0.000 2.287 0.000) 2.287 5.324 ( 0.000 -3.482 0.000) 3.482 5.750 ( 0.000 -1.651 0.000) 1.651 5.776 ( 0.000 -1.316 0.000) 1.316 5.904 ( 0.000 -0.030 0.000) 0.030 5.948 ( 0.000 -4.935 0.000) 4.935 6.345 ( 0.000 4.020 0.000) 4.020 6.681 ( 0.000 1.073 0.000) 1.073 6.806 ( 0.000 -2.294 0.000) 2.294 6.820 ( 0.000 0.544 0.000) 0.544 7.354 ( 0.000 -0.014 0.000) 0.014 7.371 ( 0.000 2.841 0.000) 2.841 7.566 ( 0.000 6.248 0.000) 6.248 7.726 ( 0.000 -1.251 0.000) 1.251 9.097 ( 0.000 7.132 0.000) 7.132 9.173 ( 0.000 -2.568 0.000) 2.568 9.433 ( 0.000 -3.616 0.000) 3.616 9.495 ( 0.000 -4.645 0.000) 4.645 9.648 ( 0.000 7.374 0.000) 7.374 9.750 ( 0.000 -4.035 0.000) 4.035 9.781 ( 0.000 0.379 0.000) 0.379 9.854 ( 0.000 2.115 0.000) 2.115 10.015 ( 0.000 -2.616 0.000) 2.616 10.167 ( 0.000 -3.000 0.000) 3.000 10.690 ( 0.000 19.257 0.000) 19.257 11.364 ( 0.000 -6.016 0.000) 6.016 11.464 ( 0.000 -3.373 0.000) 3.373 11.601 ( 0.000 -8.885 0.000) 8.885 11.865 ( 0.000 6.229 0.000) 6.229 11.923 ( 0.000 7.800 0.000) 7.800 12.263 ( 0.000 -1.546 0.000) 1.546 12.450 ( 0.000 1.114 0.000) 1.114 12.540 ( 0.000 2.634 0.000) 2.634 12.630 ( 0.000 11.081 0.000) 11.081 12.968 ( 0.000 -1.613 0.000) 1.613 13.066 ( 0.000 -20.083 0.000) 20.083 16.280 ( 0.000 4.179 0.000) 4.179 16.435 ( 0.000 -0.429 0.000) 0.429 17.149 ( 0.000 -5.042 0.000) 5.042 17.419 ( 0.000 -12.072 0.000) 12.072 17.855 ( 0.000 7.751 0.000) 7.751 18.440 ( 0.000 -10.288 0.000) 10.288 19.007 ( 0.000 22.487 0.000) 22.487 20.033 ( 0.000 -9.730 0.000) 9.730 ======================= Grid point 40 (23/215) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 12.501 22.263 4.944) 26.006 2.279 ( 6.907 29.097 -7.659) 30.871 2.871 ( -2.423 2.496 -1.221) 3.687 2.902 ( 7.056 -4.909 -3.322) 9.215 3.035 ( 4.630 8.095 3.103) 9.828 3.104 ( 4.467 6.679 6.180) 10.137 3.369 ( 0.432 1.898 -0.874) 2.134 3.682 ( 2.391 -0.071 5.082) 5.617 3.751 ( -5.364 -2.256 1.543) 6.020 3.828 ( 0.486 -0.307 -5.024) 5.057 3.954 ( -4.722 -11.073 -9.288) 15.204 4.303 ( 2.078 0.246 -0.825) 2.249 4.529 ( -3.269 3.617 5.044) 7.015 4.758 ( -0.293 -0.184 4.708) 4.721 4.910 ( -3.384 0.246 -2.807) 4.404 5.061 ( 0.765 4.146 1.661) 4.531 5.268 ( 5.901 4.925 -4.158) 8.739 5.396 ( 1.080 -5.529 6.787) 8.820 5.702 ( -4.630 0.164 -1.794) 4.968 5.781 ( -1.745 -2.870 2.638) 4.271 5.873 ( -6.150 -1.923 -0.148) 6.446 5.927 ( -0.524 -3.538 0.710) 3.647 6.324 ( 0.738 2.502 -2.274) 3.460 6.626 ( -2.127 -3.451 -5.288) 6.663 6.742 ( 0.803 3.986 1.613) 4.374 6.990 ( 7.162 1.420 4.203) 8.425 7.349 ( 0.260 -0.211 -1.633) 1.667 7.407 ( 3.695 2.199 -0.387) 4.317 7.577 ( 0.929 5.029 0.925) 5.197 7.737 ( 1.385 -0.604 -0.296) 1.540 9.049 ( -3.097 4.666 -2.967) 6.338 9.192 ( -3.076 -1.135 4.667) 5.703 9.359 ( -8.714 -4.732 1.797) 10.077 9.440 ( -1.655 0.619 -1.779) 2.508 9.711 ( -6.408 0.065 4.069) 7.591 9.733 ( 4.082 -2.407 1.437) 4.952 9.815 ( -4.043 -1.526 1.084) 4.455 9.830 ( 4.455 1.439 -0.286) 4.690 9.998 ( 1.662 -1.813 -2.005) 3.174 10.198 ( 2.260 -1.909 0.739) 3.049 10.696 ( -0.891 14.735 0.847) 14.786 11.059 ( -24.878 -7.379 -0.263) 25.950 11.585 ( -1.926 -5.228 2.006) 5.921 11.676 ( 10.378 -0.001 3.023) 10.809 11.818 ( -1.950 5.181 -0.422) 5.552 11.994 ( 3.693 7.314 2.181) 8.479 12.188 ( -3.230 -1.853 -2.117) 4.283 12.405 ( 3.981 3.201 -5.919) 7.819 12.669 ( 8.930 -0.026 -0.012) 8.930 12.739 ( 7.255 9.115 4.102) 12.352 12.976 ( 1.083 0.321 0.761) 1.361 13.020 ( -0.507 -17.034 -7.083) 18.455 16.282 ( -1.237 3.529 2.163) 4.320 16.419 ( -2.335 -0.652 0.743) 2.535 17.261 ( 11.686 -5.755 1.700) 13.136 17.495 ( 9.531 -12.228 -1.563) 15.582 17.816 ( 1.889 7.230 -8.980) 11.682 18.309 ( -1.474 -5.767 -17.237) 18.236 19.059 ( -7.037 18.033 16.402) 25.372 19.971 ( -10.323 -8.952 4.071) 14.258 ======================= Grid point 41 (24/215) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 14.911 15.769 9.098) 23.533 2.374 ( 14.399 23.602 -4.345) 27.987 2.824 ( -1.866 0.443 -0.301) 1.942 2.967 ( 6.572 -2.268 -5.611) 8.934 3.096 ( 2.447 -7.381 -4.874) 9.177 3.228 ( 4.429 5.851 0.399) 7.349 3.417 ( 6.180 4.581 1.397) 7.819 3.676 ( -6.639 -3.986 0.081) 7.744 3.703 ( 2.370 -3.203 -5.431) 6.736 3.817 ( 1.405 -6.184 -0.494) 6.361 3.914 ( 2.795 6.186 7.534) 10.141 4.287 ( 0.265 -1.015 -4.757) 4.871 4.532 ( -4.845 10.592 8.008) 14.135 4.704 ( -6.147 4.831 -3.356) 8.508 4.928 ( 1.720 0.632 5.633) 5.923 5.104 ( 3.320 2.989 1.235) 4.635 5.307 ( 2.972 3.231 -3.599) 5.676 5.437 ( -2.174 0.017 2.075) 3.006 5.559 ( -8.442 2.014 -4.785) 9.911 5.763 ( -7.474 -3.207 5.071) 9.585 5.770 ( -3.703 -5.684 0.472) 6.801 5.926 ( -1.427 -3.319 1.165) 3.796 6.363 ( 6.752 2.366 -1.199) 7.254 6.594 ( 3.828 -4.142 -2.631) 6.224 6.784 ( 1.305 5.885 1.985) 6.347 7.117 ( 2.791 4.414 4.265) 6.743 7.320 ( -0.138 -1.019 -3.864) 3.999 7.435 ( 1.170 1.145 -3.138) 3.539 7.616 ( 2.159 3.323 1.228) 4.149 7.756 ( 1.800 0.278 -1.070) 2.112 8.971 ( -2.898 1.764 -2.115) 3.998 9.082 ( -11.559 -2.823 2.423) 12.143 9.331 ( -5.469 0.745 -2.057) 5.890 9.366 ( -3.102 -5.535 4.827) 7.973 9.663 ( -4.926 -0.401 5.468) 7.370 9.734 ( -2.254 -1.055 -1.453) 2.882 9.797 ( -1.005 -8.390 1.352) 8.558 9.893 ( 3.346 2.713 -0.576) 4.345 10.077 ( 5.059 -1.941 5.317) 7.592 10.239 ( 1.636 -0.585 0.438) 1.792 10.626 ( -18.125 0.234 4.492) 18.675 10.686 ( -15.657 -3.223 4.715) 16.666 11.571 ( -1.488 0.451 1.249) 1.994 11.760 ( -2.237 0.480 1.233) 2.599 11.902 ( 9.585 4.366 1.651) 10.661 12.023 ( 1.356 4.930 -1.163) 5.244 12.216 ( 5.004 -1.086 2.474) 5.687 12.458 ( 9.322 3.885 -5.047) 11.290 12.743 ( 1.957 -0.864 -1.945) 2.891 12.855 ( 3.131 -8.580 -7.750) 11.978 12.942 ( 6.562 5.582 -6.529) 10.809 13.040 ( 6.365 5.158 0.112) 8.193 16.290 ( -1.932 1.955 3.716) 4.622 16.387 ( -3.109 -1.139 1.550) 3.656 17.504 ( 13.877 -5.482 2.747) 15.171 17.602 ( 7.900 -7.704 -9.310) 14.437 17.746 ( 5.159 3.794 -12.625) 14.156 18.130 ( 5.339 -2.556 -13.627) 14.857 19.101 ( -13.198 12.654 19.248) 26.548 19.811 ( -16.119 -8.298 5.645) 18.988 ======================= Grid point 42 (25/215) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 11.251 10.300 5.178) 16.109 2.628 ( 13.373 15.965 4.744) 21.359 2.824 ( 1.565 -1.671 1.612) 2.800 2.998 ( 4.437 -2.092 -3.089) 5.797 3.009 ( 1.736 -3.721 -9.619) 10.459 3.306 ( 5.293 5.532 -2.445) 8.037 3.474 ( 2.637 1.037 -7.141) 7.683 3.629 ( -3.328 2.098 6.889) 7.933 3.701 ( 2.310 -0.289 -1.822) 2.956 3.853 ( 2.661 -8.830 0.838) 9.261 4.046 ( 2.549 -1.030 3.218) 4.233 4.225 ( 1.339 -1.913 -6.512) 6.918 4.539 ( -7.091 7.176 1.233) 10.164 4.601 ( -0.365 14.858 4.996) 15.680 5.015 ( 1.552 1.425 4.177) 4.678 5.192 ( 3.079 3.742 1.518) 5.078 5.260 ( -1.949 4.760 -2.160) 5.578 5.357 ( -4.295 0.228 -4.981) 6.581 5.452 ( 0.109 4.715 0.080) 4.717 5.693 ( -5.199 -6.122 -0.883) 8.080 5.725 ( -4.300 -2.838 4.010) 6.529 5.915 ( -2.859 -2.423 3.231) 4.948 6.468 ( 7.007 4.071 -2.243) 8.408 6.664 ( 5.790 -3.192 -0.064) 6.612 6.823 ( 1.068 5.476 1.350) 5.740 7.165 ( -3.482 7.065 2.692) 8.323 7.263 ( 2.118 -4.074 -7.201) 8.540 7.378 ( -4.097 2.444 -0.586) 4.807 7.661 ( 2.235 1.127 0.366) 2.530 7.766 ( 1.406 0.068 -1.812) 2.295 8.868 ( -7.101 -2.065 -1.371) 7.522 9.007 ( -3.456 -3.906 5.245) 7.396 9.198 ( -6.202 -2.400 -1.625) 6.846 9.331 ( -5.613 1.250 0.707) 5.794 9.647 ( -2.092 -12.787 -0.407) 12.964 9.725 ( -5.608 1.795 7.263) 9.350 9.771 ( -2.321 -9.436 1.500) 9.833 9.885 ( -3.428 1.645 -3.772) 5.356 10.182 ( -1.931 -3.599 3.215) 5.198 10.215 ( -1.252 -2.335 -2.351) 3.542 10.492 ( -7.662 -2.279 20.461) 21.967 10.617 ( -6.058 -3.720 10.740) 12.879 11.572 ( 0.606 1.186 -0.302) 1.366 11.730 ( -2.262 -0.675 2.473) 3.419 12.030 ( 8.380 3.607 -8.150) 12.233 12.081 ( 5.100 5.688 2.768) 8.125 12.302 ( 1.140 2.037 1.739) 2.911 12.559 ( 8.022 4.052 -2.710) 9.387 12.708 ( -2.332 -6.804 -6.917) 9.979 12.752 ( 3.257 -4.620 -7.713) 9.562 13.017 ( 9.536 12.873 -8.583) 18.175 13.156 ( 9.918 7.621 -4.330) 13.236 16.302 ( -2.209 0.067 4.226) 4.769 16.359 ( -2.981 -1.759 2.316) 4.165 17.522 ( 2.895 0.154 -13.187) 13.502 17.668 ( 5.775 5.167 -14.275) 16.243 17.758 ( 9.770 -2.065 5.172) 11.246 18.215 ( 15.014 -3.617 -6.908) 16.918 19.073 ( -16.345 5.153 18.850) 25.477 19.599 ( -17.116 -10.052 4.207) 20.291 ======================= Grid point 43 (26/215) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 4.527 1.762 4.515) 6.632 2.794 ( 5.876 4.523 -1.194) 7.511 2.897 ( 6.397 6.027 1.194) 8.870 2.974 ( 3.630 3.237 -3.711) 6.118 3.138 ( 5.665 4.186 7.892) 10.578 3.291 ( 0.654 1.001 -7.952) 8.041 3.437 ( 2.320 1.711 -4.614) 5.440 3.642 ( -0.659 5.146 2.563) 5.786 3.706 ( -3.647 3.106 0.024) 4.791 3.901 ( 0.855 -6.058 4.923) 7.853 4.016 ( -2.659 -3.400 -5.232) 6.782 4.257 ( 8.849 -5.471 -4.309) 11.261 4.434 ( -5.074 7.988 0.493) 9.476 4.683 ( 1.960 8.032 1.708) 8.443 5.062 ( -1.092 0.890 0.776) 1.608 5.109 ( -4.206 2.535 0.641) 4.953 5.298 ( 1.057 7.086 -1.408) 7.302 5.371 ( 8.209 5.535 1.682) 10.043 5.467 ( 1.209 1.267 -0.423) 1.801 5.602 ( -2.622 -2.486 -2.068) 4.163 5.728 ( -1.249 -1.889 4.730) 5.244 5.910 ( -2.594 -1.972 4.125) 5.257 6.511 ( 2.685 4.104 -3.295) 5.908 6.724 ( 1.923 -1.540 -2.413) 3.449 6.836 ( -0.373 3.896 -1.066) 4.056 7.008 ( -9.150 2.685 -8.318) 12.654 7.277 ( 2.279 2.194 0.938) 3.299 7.351 ( -2.165 0.803 5.320) 5.799 7.690 ( 1.370 -0.596 -0.871) 1.730 7.769 ( 1.955 -2.021 -1.436) 3.157 8.765 ( -4.425 -4.142 0.024) 6.061 9.032 ( -1.813 -3.897 5.739) 7.170 9.100 ( -6.226 -1.430 1.135) 6.488 9.265 ( -1.526 -1.263 -1.477) 2.471 9.586 ( -6.352 -16.560 -1.214) 17.778 9.634 ( -9.196 0.275 6.039) 11.005 9.709 ( -9.079 -3.946 -7.255) 12.273 9.801 ( -0.665 -10.886 5.437) 12.186 10.144 ( -3.531 -3.336 3.180) 5.806 10.192 ( 1.562 -0.268 -7.264) 7.435 10.724 ( 2.345 -1.653 25.043) 25.207 10.759 ( 0.121 -2.748 20.276) 20.462 11.577 ( 2.100 2.178 -2.312) 3.808 11.773 ( 0.284 -2.632 7.144) 7.619 12.007 ( 4.543 2.342 -13.414) 14.354 12.143 ( 2.434 1.815 -5.944) 6.675 12.286 ( -0.191 8.544 -4.563) 9.688 12.577 ( -0.704 1.509 -5.121) 5.385 12.643 ( 1.983 0.167 -0.144) 1.995 12.794 ( 4.990 -2.878 1.115) 5.868 13.037 ( 7.687 11.116 -12.237) 18.232 13.230 ( 8.352 7.333 -8.741) 14.140 16.310 ( -2.229 -1.585 3.450) 4.403 16.347 ( -1.984 -2.668 2.621) 4.234 17.468 ( 5.576 6.026 -6.612) 10.541 17.640 ( 9.102 9.670 -12.013) 17.907 17.936 ( 3.112 3.411 7.971) 9.212 18.314 ( 6.339 5.220 -9.272) 12.386 19.044 ( -10.865 -9.437 16.462) 21.866 19.376 ( -14.275 -15.080 1.221) 20.801 ======================= Grid point 44 (27/215) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 3.609 0.504 4.621) 5.885 2.842 ( 1.235 0.815 1.973) 2.467 2.989 ( 1.389 5.339 -2.039) 5.882 3.057 ( 8.750 12.291 1.150) 15.131 3.178 ( -1.610 1.225 -4.188) 4.651 3.241 ( 2.727 0.269 -3.742) 4.638 3.443 ( -0.561 7.254 0.537) 7.295 3.558 ( -6.760 6.604 -4.319) 10.391 3.734 ( 1.219 2.479 7.963) 8.428 3.906 ( -4.037 -3.257 -1.093) 5.301 4.003 ( 4.801 -1.165 1.494) 5.161 4.311 ( 1.482 -6.521 -3.030) 7.342 4.424 ( 3.380 5.098 1.047) 6.206 4.660 ( -2.406 2.178 -4.043) 5.185 5.000 ( -3.767 2.348 1.127) 4.579 5.142 ( 2.667 -2.055 -0.049) 3.367 5.302 ( 0.370 10.349 -0.021) 10.356 5.460 ( -1.507 1.724 0.561) 2.358 5.505 ( 5.710 2.950 0.588) 6.454 5.594 ( 3.188 -0.244 -1.896) 3.717 5.794 ( 2.434 1.618 4.079) 5.018 5.949 ( 1.306 -2.713 6.164) 6.860 6.486 ( -1.507 2.080 -4.357) 5.058 6.658 ( -5.096 -0.445 -4.917) 7.096 6.725 ( -5.348 0.971 -5.469) 7.711 6.852 ( -2.083 3.541 -1.633) 4.421 7.323 ( 1.281 4.412 1.618) 4.871 7.397 ( -0.668 -1.646 4.699) 5.024 7.690 ( 1.325 -0.655 -1.780) 2.314 7.800 ( 2.155 -4.290 0.196) 4.805 8.731 ( -0.644 -3.584 0.591) 3.689 9.026 ( -5.136 -3.000 2.364) 6.401 9.074 ( -0.630 -4.711 4.875) 6.808 9.222 ( -1.194 -4.689 -3.441) 5.937 9.456 ( -6.288 -15.553 -0.434) 16.782 9.487 ( -7.744 -10.372 -4.754) 13.789 9.639 ( -1.411 1.519 6.808) 7.117 9.856 ( -0.105 -8.008 4.697) 9.284 10.099 ( -0.933 -0.784 -7.997) 8.090 10.135 ( -0.522 -1.268 -0.630) 1.510 10.996 ( 1.427 -1.837 17.414) 17.569 11.080 ( 3.990 -2.971 27.538) 27.983 11.580 ( 3.706 3.336 -7.095) 8.672 11.815 ( -1.926 -3.359 -3.147) 4.989 11.949 ( 4.124 1.201 -3.358) 5.452 12.020 ( -4.221 -1.914 -9.510) 10.579 12.227 ( 1.498 10.877 -7.255) 13.160 12.535 ( 0.307 4.438 -2.778) 5.244 12.678 ( 1.075 4.858 1.490) 5.194 12.889 ( 0.786 -1.716 6.441) 6.712 13.001 ( 5.022 6.920 -11.397) 14.248 13.234 ( 4.615 5.654 -8.156) 10.944 16.310 ( -1.410 -2.608 1.828) 3.483 16.350 ( -0.904 -3.649 1.820) 4.177 17.557 ( 8.785 11.508 0.583) 14.489 17.673 ( 8.379 14.043 -8.075) 18.238 18.034 ( -1.710 9.985 7.849) 12.815 18.206 ( -5.557 13.411 -8.122) 16.635 19.091 ( -2.298 -21.592 8.759) 23.414 19.194 ( -8.115 -22.243 -0.808) 23.691 ======================= Grid point 45 (28/215) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 194 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 0.000 5.297 -0.000) 5.297 2.917 ( 0.000 -0.028 0.000) 0.028 2.925 ( -0.000 2.134 -0.000) 2.134 3.124 ( 0.000 -5.956 0.000) 5.956 3.169 ( 0.000 12.893 -0.000) 12.893 3.254 ( -0.000 8.012 0.000) 8.012 3.421 ( 0.000 10.183 -0.000) 10.183 3.454 ( -0.000 6.011 0.000) 6.011 3.822 ( 0.000 0.428 -0.000) 0.428 3.847 ( 0.000 -0.679 0.000) 0.679 4.066 ( -0.000 0.499 -0.000) 0.499 4.290 ( 0.000 -7.031 0.000) 7.031 4.491 ( 0.000 2.201 0.000) 2.201 4.585 ( -0.000 1.231 -0.000) 1.231 4.977 ( 0.000 0.536 0.000) 0.536 5.161 ( -0.000 -1.363 0.000) 1.363 5.307 ( 0.000 11.218 0.000) 11.218 5.451 ( 0.000 3.970 0.000) 3.970 5.553 ( -0.000 -0.795 -0.000) 0.795 5.614 ( 0.000 -0.563 0.000) 0.563 5.843 ( -0.000 4.337 -0.000) 4.337 6.044 ( 0.000 -4.330 -0.000) 4.330 6.386 ( -0.000 3.221 0.000) 3.221 6.577 ( -0.000 0.651 0.000) 0.651 6.663 ( 0.000 -2.269 0.000) 2.269 6.827 ( 0.000 3.793 0.000) 3.793 7.344 ( -0.000 5.225 0.000) 5.225 7.415 ( 0.000 -2.928 -0.000) 2.928 7.695 ( 0.000 -0.280 0.000) 0.280 7.821 ( -0.000 -5.003 0.000) 5.003 8.736 ( 0.000 -2.076 0.000) 2.076 8.994 ( -0.000 -5.267 -0.000) 5.267 9.114 ( 0.000 -6.159 0.000) 6.159 9.169 ( 0.000 -6.028 0.000) 6.028 9.392 ( 0.000 -11.258 -0.000) 11.258 9.405 ( -0.000 -15.971 0.000) 15.971 9.686 ( 0.000 3.913 -0.000) 3.913 9.883 ( 0.000 -4.498 0.000) 4.498 10.030 ( -0.000 -2.385 0.000) 2.385 10.126 ( 0.000 -1.673 0.000) 1.673 11.123 ( 0.000 -1.450 -0.000) 1.450 11.357 ( 0.000 -6.919 0.000) 6.919 11.508 ( -0.000 4.913 -0.000) 4.913 11.746 ( 0.000 -2.322 0.000) 2.322 11.913 ( 0.000 1.287 0.000) 1.287 11.985 ( 0.000 0.025 0.000) 0.025 12.194 ( 0.000 9.020 0.000) 9.020 12.519 ( 0.000 4.539 0.000) 4.539 12.696 ( 0.000 7.389 -0.000) 7.389 12.949 ( -0.000 -0.532 0.000) 0.532 12.960 ( 0.000 4.299 -0.000) 4.299 13.220 ( 0.000 4.620 0.000) 4.620 16.308 ( 0.000 -2.936 -0.000) 2.936 16.354 ( 0.000 -4.090 0.000) 4.090 17.673 ( -0.000 14.105 -0.000) 14.105 17.694 ( -0.000 16.422 0.000) 16.422 18.068 ( 0.000 14.383 -0.000) 14.383 18.070 ( 0.000 13.376 0.000) 13.376 19.116 ( -0.000 -26.312 -0.000) 26.312 19.133 ( -0.000 -24.637 0.000) 24.637 ======================= Grid point 52 (29/215) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.000 21.379 0.000) 21.379 2.612 ( 0.000 -15.553 0.000) 15.553 2.804 ( 0.000 17.124 0.000) 17.124 3.048 ( 0.000 -7.356 0.000) 7.356 3.078 ( 0.000 12.250 0.000) 12.250 3.158 ( 0.000 5.065 0.000) 5.065 3.417 ( 0.000 5.325 0.000) 5.325 3.619 ( 0.000 -1.604 0.000) 1.604 3.688 ( 0.000 -4.733 0.000) 4.733 3.726 ( 0.000 -17.421 0.000) 17.421 3.942 ( 0.000 8.580 0.000) 8.580 4.146 ( 0.000 -9.994 0.000) 9.994 4.610 ( 0.000 4.526 0.000) 4.526 4.686 ( 0.000 -2.456 0.000) 2.456 5.112 ( 0.000 8.833 0.000) 8.833 5.132 ( 0.000 6.399 0.000) 6.399 5.247 ( 0.000 -4.417 0.000) 4.417 5.252 ( 0.000 -2.767 0.000) 2.767 5.748 ( 0.000 1.555 0.000) 1.555 5.771 ( 0.000 0.643 0.000) 0.643 5.846 ( 0.000 -3.844 0.000) 3.844 5.854 ( 0.000 -3.790 0.000) 3.790 6.487 ( 0.000 8.217 0.000) 8.217 6.644 ( 0.000 -5.767 0.000) 5.767 6.782 ( 0.000 1.355 0.000) 1.355 6.820 ( 0.000 -1.171 0.000) 1.171 7.385 ( 0.000 2.443 0.000) 2.443 7.410 ( 0.000 0.589 0.000) 0.589 7.671 ( 0.000 3.077 0.000) 3.077 7.703 ( 0.000 -0.893 0.000) 0.893 9.093 ( 0.000 -0.328 0.000) 0.328 9.205 ( 0.000 -10.608 0.000) 10.608 9.281 ( 0.000 8.235 0.000) 8.235 9.434 ( 0.000 -5.759 0.000) 5.759 9.748 ( 0.000 3.006 0.000) 3.006 9.775 ( 0.000 3.684 0.000) 3.684 9.825 ( 0.000 1.524 0.000) 1.524 9.875 ( 0.000 -1.255 0.000) 1.255 10.001 ( 0.000 2.765 0.000) 2.765 10.091 ( 0.000 -4.339 0.000) 4.339 11.068 ( 0.000 16.064 0.000) 16.064 11.297 ( 0.000 0.813 0.000) 0.813 11.328 ( 0.000 -9.301 0.000) 9.301 11.412 ( 0.000 -8.799 0.000) 8.799 12.005 ( 0.000 6.350 0.000) 6.350 12.069 ( 0.000 2.896 0.000) 2.896 12.257 ( 0.000 3.663 0.000) 3.663 12.403 ( 0.000 -5.994 0.000) 5.994 12.593 ( 0.000 3.044 0.000) 3.044 12.723 ( 0.000 -11.381 0.000) 11.381 12.833 ( 0.000 7.426 0.000) 7.426 12.932 ( 0.000 -2.530 0.000) 2.530 16.363 ( 0.000 3.483 0.000) 3.483 16.416 ( 0.000 -1.608 0.000) 1.608 17.098 ( 0.000 0.866 0.000) 0.866 17.197 ( 0.000 -8.416 0.000) 8.416 18.029 ( 0.000 9.008 0.000) 9.008 18.227 ( 0.000 -10.039 0.000) 10.039 19.441 ( 0.000 18.958 0.000) 18.958 19.786 ( 0.000 -14.188 0.000) 14.188 ======================= Grid point 53 (30/215) ======================= q-point: ( 0.08 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 8.619 19.526 1.920) 21.430 2.656 ( 4.666 -10.103 -1.229) 11.196 2.784 ( 4.347 10.456 -6.324) 12.970 2.972 ( -1.513 -3.301 -6.736) 7.652 3.087 ( 1.270 11.168 -3.560) 11.790 3.230 ( 5.788 3.758 2.530) 7.350 3.407 ( 1.852 1.280 -2.984) 3.738 3.586 ( -1.819 -14.084 -9.030) 16.829 3.655 ( -2.005 -3.204 0.346) 3.795 3.687 ( -2.488 -4.218 4.231) 6.471 3.988 ( 1.330 8.639 4.207) 9.700 4.177 ( 0.252 -9.177 2.140) 9.427 4.662 ( 0.937 6.060 7.233) 9.482 4.754 ( 1.183 -2.459 8.376) 8.810 5.026 ( -3.620 9.828 -1.278) 10.551 5.156 ( -1.847 2.136 -0.081) 2.825 5.280 ( 4.616 -2.881 2.380) 5.939 5.321 ( 6.456 -1.177 -2.228) 6.930 5.719 ( -2.109 1.898 -1.200) 3.080 5.757 ( -3.524 0.257 0.403) 3.557 5.812 ( -6.557 -2.766 2.689) 7.608 5.841 ( -1.390 -4.402 0.631) 4.660 6.420 ( -1.190 5.734 -4.467) 7.365 6.537 ( -2.862 -5.140 -5.721) 8.206 6.848 ( 4.512 5.980 3.015) 8.075 6.964 ( 8.027 -4.219 3.966) 9.898 7.380 ( -0.387 3.266 -0.476) 3.323 7.430 ( 1.301 -0.638 0.508) 1.535 7.674 ( 0.626 3.602 0.180) 3.661 7.722 ( 1.595 -1.151 0.406) 2.008 9.065 ( -3.630 -0.304 -0.506) 3.678 9.149 ( -4.669 -7.488 -3.047) 9.336 9.278 ( -1.777 5.378 2.880) 6.354 9.409 ( -3.795 -5.252 0.149) 6.482 9.730 ( -2.354 3.043 1.089) 3.999 9.746 ( -5.515 1.861 3.095) 6.593 9.821 ( -5.983 0.244 1.851) 6.267 9.847 ( 2.205 -1.703 -1.529) 3.178 10.022 ( 3.199 4.652 0.172) 5.648 10.130 ( 3.124 -4.620 1.241) 5.713 10.907 ( -15.459 4.681 -0.034) 16.152 10.954 ( -24.198 -2.471 0.239) 24.325 11.531 ( 9.214 1.666 3.375) 9.953 11.621 ( 13.029 -4.849 3.199) 14.266 11.961 ( -4.780 7.678 0.020) 9.045 12.103 ( -1.031 -4.786 -0.275) 4.903 12.178 ( -0.208 8.551 -1.797) 8.740 12.363 ( 0.910 -7.150 -1.630) 7.390 12.677 ( 7.924 1.129 -3.032) 8.559 12.743 ( 4.051 -6.305 -5.889) 9.531 12.924 ( 9.086 5.317 2.046) 10.724 12.985 ( 6.036 -0.505 1.292) 6.193 16.352 ( -2.593 2.943 1.914) 4.364 16.398 ( -2.926 -1.489 1.324) 3.540 17.193 ( 10.770 -0.039 0.424) 10.778 17.276 ( 9.761 -7.917 -0.861) 12.598 17.977 ( 1.135 8.227 -10.027) 13.020 18.152 ( 0.114 -8.440 -12.069) 14.728 19.434 ( -8.157 17.031 9.711) 21.234 19.746 ( -9.303 -12.880 6.054) 17.003 ======================= Grid point 54 (31/215) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 9.929 14.007 3.145) 17.455 2.681 ( 3.147 2.608 -3.682) 5.501 2.850 ( 8.773 -6.004 -3.925) 11.332 2.883 ( 0.238 -3.135 -6.426) 7.154 3.067 ( 4.022 14.778 -4.743) 16.033 3.362 ( 7.907 5.000 -0.784) 9.388 3.402 ( 4.311 -7.602 -5.421) 10.284 3.503 ( 6.852 -10.458 -8.922) 15.360 3.649 ( -4.094 1.041 6.841) 8.040 3.703 ( -2.529 -3.533 4.885) 6.538 4.042 ( 0.465 5.574 2.410) 6.090 4.174 ( -1.388 -6.927 -0.748) 7.104 4.741 ( -3.066 6.539 6.102) 9.454 4.824 ( -4.384 0.175 5.630) 7.138 5.024 ( 3.368 10.669 3.218) 11.642 5.160 ( 2.012 0.523 2.644) 3.364 5.336 ( 2.174 0.227 -2.236) 3.127 5.388 ( 2.409 -3.760 -1.645) 4.759 5.633 ( -5.973 3.536 -2.632) 7.424 5.679 ( -6.124 -2.705 0.564) 6.718 5.730 ( -6.667 1.454 4.543) 8.198 5.830 ( -1.765 -5.851 2.052) 6.447 6.425 ( 6.711 3.413 -2.363) 7.891 6.505 ( 4.844 -4.224 -2.761) 6.995 6.935 ( 2.857 8.353 1.378) 8.935 7.101 ( 5.230 -6.363 0.876) 8.283 7.356 ( -2.023 5.006 -0.514) 5.424 7.437 ( -0.976 -1.804 -0.294) 2.072 7.695 ( 1.289 3.707 0.181) 3.929 7.750 ( 1.479 -1.297 -0.244) 1.982 8.980 ( -4.658 -0.578 -1.440) 4.910 9.009 ( -7.766 -3.352 -2.956) 8.960 9.280 ( -4.383 0.093 2.703) 5.150 9.325 ( -4.883 -2.483 1.304) 5.631 9.645 ( -11.093 -0.243 1.565) 11.205 9.667 ( -6.361 -3.131 0.900) 7.147 9.799 ( -1.086 5.143 5.645) 7.713 9.898 ( 1.930 -3.329 3.229) 5.023 10.098 ( 4.585 4.006 0.699) 6.129 10.189 ( 2.392 -3.919 -0.170) 4.594 10.586 ( -24.531 0.722 6.973) 25.513 10.648 ( -18.321 -3.737 4.221) 19.169 11.643 ( 0.769 5.565 0.612) 5.651 11.742 ( -1.255 -2.866 0.084) 3.130 11.979 ( 7.604 3.460 2.071) 8.607 12.051 ( 1.728 -2.697 -0.125) 3.205 12.260 ( 6.744 6.295 -0.017) 9.226 12.419 ( 7.154 -7.235 -2.733) 10.536 12.715 ( 3.477 -1.231 -8.986) 9.713 12.724 ( 3.981 -0.973 -4.865) 6.361 13.104 ( 12.149 5.231 -2.032) 13.383 13.132 ( 11.005 2.409 -1.158) 11.325 16.329 ( -3.708 1.788 3.205) 5.217 16.362 ( -3.997 -1.335 2.377) 4.839 17.411 ( 14.323 -2.171 0.753) 14.506 17.444 ( 12.351 -5.336 -3.093) 13.806 17.875 ( 4.244 7.174 -13.905) 16.212 18.024 ( 4.626 -6.750 -13.882) 16.114 19.381 ( -15.148 13.133 13.122) 23.961 19.624 ( -16.278 -10.190 8.384) 20.954 ======================= Grid point 55 (32/215) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 2.494 5.257 1.588) 6.032 2.706 ( 2.757 -2.248 -0.809) 3.648 2.875 ( 7.007 0.535 -2.452) 7.443 2.928 ( 6.833 -4.160 -2.997) 8.543 3.155 ( 8.824 17.430 1.335) 19.582 3.393 ( 4.189 1.068 -5.737) 7.184 3.478 ( 4.956 -0.772 -6.502) 8.212 3.562 ( 10.122 -11.829 -2.971) 15.849 3.686 ( -0.980 2.427 6.794) 7.281 3.728 ( -1.068 -1.984 5.649) 6.082 4.047 ( -0.692 1.973 -1.529) 2.590 4.129 ( -0.650 -5.233 -3.406) 6.277 4.692 ( -5.374 6.711 0.064) 8.598 4.784 ( -4.393 -0.249 1.938) 4.808 5.120 ( 1.023 8.839 2.377) 9.210 5.247 ( -1.612 -1.281 2.129) 2.961 5.327 ( 3.181 2.641 -1.169) 4.297 5.363 ( 2.415 -0.030 -0.899) 2.577 5.546 ( -3.090 2.280 0.119) 3.842 5.588 ( -4.235 -3.503 -0.934) 5.575 5.709 ( -3.515 3.591 4.923) 7.034 5.831 ( -2.480 -5.752 3.989) 7.426 6.534 ( 8.060 2.684 -2.273) 8.794 6.595 ( 7.415 -3.204 -0.746) 8.112 6.964 ( 0.960 7.943 -1.512) 8.143 7.134 ( 1.694 -7.787 -6.235) 10.118 7.316 ( -3.649 6.309 3.136) 7.934 7.396 ( -4.215 -1.229 1.324) 4.586 7.704 ( 0.536 2.699 -1.242) 3.019 7.753 ( 0.188 -1.549 -1.708) 2.313 8.860 ( -7.265 1.198 -1.008) 7.432 8.919 ( -3.532 -4.157 2.054) 5.828 9.191 ( -6.978 2.600 2.261) 7.782 9.315 ( -3.376 -7.761 4.145) 9.424 9.468 ( -10.541 2.760 -0.426) 10.905 9.593 ( -4.363 -7.540 1.593) 8.855 9.789 ( -9.977 3.726 3.036) 11.074 9.873 ( -8.611 -3.279 -3.277) 9.780 10.135 ( -1.714 0.122 1.059) 2.018 10.170 ( 1.169 -2.300 -2.218) 3.402 10.484 ( -6.571 1.182 19.915) 21.004 10.535 ( -7.172 -3.570 15.983) 17.878 11.631 ( -0.525 3.606 -0.215) 3.650 11.697 ( -2.425 -2.446 0.811) 3.539 12.103 ( 8.499 2.981 -8.439) 12.342 12.136 ( 7.170 0.103 -2.216) 7.506 12.366 ( 3.660 4.154 4.535) 7.157 12.485 ( 3.322 -7.397 -0.440) 8.121 12.677 ( 4.591 2.851 -7.894) 9.567 12.721 ( 4.278 -1.381 -6.346) 7.777 13.230 ( 10.833 6.613 -8.968) 15.541 13.272 ( 11.242 2.459 -6.854) 13.395 16.308 ( -3.738 0.600 3.590) 5.218 16.328 ( -3.956 -1.257 2.932) 5.082 17.538 ( 7.881 2.471 -6.198) 10.326 17.632 ( 10.520 -5.952 0.264) 12.090 17.851 ( 10.827 9.292 -9.650) 17.225 18.057 ( 14.154 -9.884 -7.577) 18.853 19.238 ( -20.443 9.064 11.865) 25.315 19.417 ( -20.296 -8.225 6.751) 22.916 ======================= Grid point 56 (33/215) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 1.425 1.446 3.402) 3.962 2.736 ( 1.739 -4.026 1.303) 4.574 3.020 ( 8.741 2.436 -0.489) 9.087 3.047 ( 11.034 0.642 1.381) 11.138 3.281 ( 1.089 8.705 0.259) 8.777 3.334 ( -1.342 2.019 -7.326) 7.717 3.487 ( 6.298 4.606 -2.119) 8.085 3.671 ( 3.910 -7.797 0.546) 8.740 3.748 ( -2.889 1.979 4.200) 5.469 3.786 ( 1.399 -1.405 6.958) 7.235 3.993 ( -0.424 2.430 -5.439) 5.972 4.109 ( 3.846 -7.469 -4.316) 9.445 4.618 ( -2.285 8.355 -1.599) 8.808 4.745 ( -0.597 -2.683 -2.387) 3.641 5.100 ( -2.558 2.617 -0.480) 3.691 5.132 ( -6.399 -0.087 -2.589) 6.904 5.437 ( 5.311 4.458 -0.452) 6.949 5.470 ( 5.243 5.171 3.391) 8.107 5.521 ( 1.199 -1.570 -0.848) 2.150 5.552 ( 0.588 -1.011 2.490) 2.751 5.720 ( -2.038 3.406 5.511) 6.792 5.835 ( -2.758 -5.308 4.368) 7.407 6.584 ( 2.637 3.657 -4.214) 6.171 6.666 ( 3.167 -3.783 -3.758) 6.202 6.927 ( -1.662 4.310 -4.593) 6.514 7.004 ( -5.143 -2.698 -10.045) 11.603 7.339 ( -0.634 3.041 5.985) 6.743 7.369 ( -3.060 0.221 5.498) 6.296 7.693 ( 0.599 1.025 -1.817) 2.170 7.728 ( 0.255 -1.989 -2.399) 3.127 8.762 ( -5.393 4.013 1.728) 6.940 8.905 ( -3.416 -8.059 4.285) 9.745 9.116 ( -6.612 3.422 2.543) 7.867 9.264 ( -7.779 -11.154 2.627) 13.850 9.322 ( -6.316 6.367 -3.197) 9.521 9.527 ( -7.790 -11.896 -6.978) 15.839 9.639 ( -9.256 0.486 6.725) 11.451 9.668 ( -8.421 -2.683 6.976) 11.260 10.137 ( 2.072 1.673 -2.488) 3.644 10.176 ( 3.077 -1.533 -5.823) 6.762 10.706 ( 0.328 -0.011 25.553) 25.555 10.719 ( -0.337 -1.215 23.519) 23.552 11.640 ( 1.512 3.406 0.218) 3.733 11.710 ( 0.328 -3.266 3.810) 5.029 12.061 ( 3.843 2.890 -14.774) 15.537 12.122 ( 2.217 -2.608 -13.274) 13.708 12.454 ( 2.524 6.258 0.017) 6.748 12.541 ( 2.137 -2.675 2.260) 4.102 12.696 ( 4.261 2.731 -1.770) 5.362 12.746 ( 4.525 -2.201 -0.187) 5.035 13.242 ( 7.326 7.490 -14.312) 17.737 13.318 ( 7.860 0.471 -11.968) 14.325 16.290 ( -3.112 -0.198 2.966) 4.304 16.304 ( -2.994 -1.439 2.664) 4.258 17.624 ( 9.819 8.862 -1.331) 13.294 17.780 ( 11.999 -2.176 -2.569) 12.463 17.983 ( 10.038 7.961 -0.143) 12.812 18.228 ( 15.323 -11.464 -6.851) 20.326 19.003 ( -23.501 4.120 9.319) 25.615 19.136 ( -21.475 -8.415 2.791) 23.233 ======================= Grid point 57 (34/215) ======================= q-point: ( 0.42 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 3.202 0.800 7.036) 7.772 2.810 ( 2.986 -2.498 5.254) 6.539 3.073 ( -0.720 2.979 -6.052) 6.783 3.128 ( -2.482 -2.656 -9.050) 9.752 3.280 ( 10.447 6.718 -2.284) 12.629 3.317 ( 4.653 2.832 1.661) 5.695 3.602 ( 1.372 7.723 6.153) 9.969 3.655 ( -5.628 2.613 2.265) 6.605 3.770 ( -0.847 0.326 4.417) 4.509 3.867 ( -1.738 -6.364 7.085) 9.681 3.940 ( 4.127 4.136 -8.010) 9.914 4.120 ( 2.511 -10.382 -4.566) 11.616 4.589 ( 1.165 7.987 -1.961) 8.306 4.690 ( -0.962 -0.997 -5.156) 5.339 5.028 ( -3.656 1.036 -1.379) 4.043 5.072 ( -0.676 -3.266 0.185) 3.340 5.478 ( 1.923 4.078 0.867) 4.591 5.513 ( 0.758 2.126 2.309) 3.229 5.583 ( 1.076 2.863 -1.341) 3.339 5.608 ( 3.312 2.691 -1.443) 4.505 5.806 ( 4.035 0.616 6.566) 7.732 5.870 ( 0.998 -4.586 6.121) 7.714 6.533 ( -2.264 2.946 -5.139) 6.341 6.605 ( -2.787 -3.495 -5.966) 7.455 6.787 ( -5.859 3.651 -6.229) 9.298 6.857 ( -2.594 -2.512 -3.517) 5.041 7.390 ( -0.123 2.200 3.673) 4.283 7.407 ( -0.676 0.975 4.255) 4.418 7.691 ( 1.392 0.745 -1.081) 1.914 7.726 ( 1.430 -2.673 -0.642) 3.098 8.727 ( -1.785 3.878 1.964) 4.699 8.883 ( -5.521 -9.726 3.730) 11.789 9.048 ( -2.569 2.561 0.111) 3.629 9.143 ( -7.758 -4.255 -0.351) 8.855 9.213 ( -3.492 -4.471 -1.072) 5.773 9.275 ( -8.992 -8.265 -6.032) 13.622 9.678 ( -0.381 2.197 9.961) 10.207 9.736 ( 0.179 -3.771 9.386) 10.117 10.112 ( 1.246 1.489 -7.699) 7.940 10.134 ( 1.281 -0.274 -5.973) 6.115 10.981 ( 0.756 0.493 20.625) 20.644 11.016 ( 1.696 -2.708 24.752) 24.958 11.657 ( 2.179 3.832 -5.171) 6.795 11.737 ( -0.234 -3.890 -2.860) 4.834 11.965 ( 2.393 0.646 -7.063) 7.485 11.985 ( -0.961 -1.341 -8.701) 8.856 12.436 ( 1.526 8.500 -7.252) 11.277 12.556 ( 1.747 -2.613 -4.992) 5.899 12.773 ( 1.790 4.237 5.756) 7.368 12.847 ( 1.571 -2.720 7.316) 7.962 13.167 ( 3.728 7.783 -13.438) 15.970 13.275 ( 3.790 -1.913 -10.806) 11.610 16.276 ( -1.781 -0.485 1.611) 2.450 16.291 ( -1.569 -1.886 1.570) 2.913 17.827 ( 12.762 13.724 4.273) 19.222 17.974 ( 16.396 9.520 -5.378) 19.707 18.127 ( 2.795 2.616 8.200) 9.050 18.337 ( 8.900 -4.802 -10.798) 14.794 18.734 ( -20.447 -7.610 8.332) 23.354 18.814 ( -18.776 -12.383 -1.743) 22.559 ======================= Grid point 58 (35/215) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 194 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 0.000 1.665 -0.000) 1.665 2.916 ( -0.000 2.171 -0.000) 2.171 2.938 ( 0.000 -0.675 0.000) 0.675 2.991 ( 0.000 -5.024 0.000) 5.024 3.379 ( 0.000 5.406 -0.000) 5.406 3.395 ( -0.000 3.274 0.000) 3.274 3.614 ( 0.000 8.980 -0.000) 8.980 3.634 ( -0.000 10.621 0.000) 10.621 3.790 ( 0.000 -3.033 0.000) 3.033 3.877 ( -0.000 -0.855 0.000) 0.855 3.956 ( 0.000 -4.299 -0.000) 4.299 4.097 ( 0.000 -10.461 0.000) 10.461 4.603 ( 0.000 5.342 0.000) 5.342 4.633 ( -0.000 1.954 -0.000) 1.954 4.990 ( 0.000 1.612 0.000) 1.612 5.070 ( 0.000 -5.522 0.000) 5.522 5.525 ( 0.000 7.727 0.000) 7.727 5.547 ( -0.000 2.696 0.000) 2.696 5.554 ( -0.000 1.096 -0.000) 1.096 5.605 ( 0.000 -0.528 0.000) 0.528 5.895 ( -0.000 1.347 -0.000) 1.347 5.949 ( 0.000 -4.216 0.000) 4.216 6.453 ( -0.000 3.371 -0.000) 3.371 6.529 ( 0.000 -3.758 0.000) 3.758 6.705 ( 0.000 4.954 0.000) 4.954 6.816 ( 0.000 -4.391 0.000) 4.391 7.411 ( -0.000 1.683 0.000) 1.683 7.422 ( 0.000 1.608 0.000) 1.608 7.701 ( 0.000 0.891 0.000) 0.891 7.738 ( 0.000 -2.829 0.000) 2.829 8.734 ( 0.000 2.428 0.000) 2.428 8.840 ( -0.000 -7.445 0.000) 7.445 9.050 ( 0.000 -0.966 0.000) 0.966 9.060 ( 0.000 -3.178 0.000) 3.178 9.154 ( -0.000 -5.964 0.000) 5.964 9.188 ( 0.000 -7.238 -0.000) 7.238 9.753 ( 0.000 2.618 -0.000) 2.618 9.806 ( 0.000 -2.796 0.000) 2.796 10.056 ( -0.000 2.990 0.000) 2.990 10.106 ( 0.000 -1.403 0.000) 1.403 11.126 ( 0.000 2.040 -0.000) 2.040 11.212 ( 0.000 -6.108 0.000) 6.108 11.602 ( 0.000 4.138 -0.000) 4.138 11.682 ( 0.000 -3.575 0.000) 3.575 11.941 ( 0.000 1.350 0.000) 1.350 11.969 ( 0.000 -1.268 0.000) 1.268 12.395 ( 0.000 9.034 0.000) 9.034 12.531 ( 0.000 -3.380 -0.000) 3.380 12.830 ( 0.000 5.158 -0.000) 5.158 12.912 ( -0.000 -2.852 0.000) 2.852 13.107 ( 0.000 8.252 -0.000) 8.252 13.237 ( 0.000 -3.162 0.000) 3.162 16.271 ( -0.000 -0.546 0.000) 0.546 16.288 ( 0.000 -2.115 0.000) 2.115 18.025 ( -0.000 19.153 -0.000) 19.153 18.078 ( -0.000 19.535 0.000) 19.535 18.261 ( 0.000 2.877 -0.000) 2.877 18.266 ( 0.000 4.472 0.000) 4.472 18.589 ( -0.000 -21.787 -0.000) 21.787 18.627 ( -0.000 -22.293 0.000) 22.293 ======================= Grid point 117 (36/215) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 0.742 0.000 35.793) 35.800 0.722 ( 1.062 0.000 37.278) 37.293 1.080 ( 3.024 0.000 55.571) 55.653 2.623 ( 3.080 0.000 3.009) 4.306 2.845 ( -1.639 0.000 -3.908) 4.238 3.310 ( -1.511 0.000 2.423) 2.855 3.366 ( 2.461 0.000 -9.047) 9.376 3.406 ( -0.774 0.000 -4.075) 4.148 3.679 ( -0.226 0.000 2.394) 2.405 4.063 ( 5.205 0.000 -8.211) 9.722 4.097 ( 2.719 0.000 -8.805) 9.215 4.285 ( -1.774 0.000 5.074) 5.375 4.696 ( -7.331 0.000 0.725) 7.367 4.869 ( 0.013 0.000 2.185) 2.185 5.020 ( -9.103 0.000 -6.997) 11.481 5.134 ( 0.960 0.000 -4.231) 4.338 5.152 ( -1.198 0.000 -2.361) 2.648 5.561 ( 7.997 0.000 1.973) 8.237 5.860 ( 3.467 0.000 -5.242) 6.285 5.932 ( 2.877 0.000 -4.731) 5.537 5.944 ( 1.155 0.000 2.059) 2.361 6.297 ( -2.790 0.000 -2.985) 4.085 6.445 ( -4.211 0.000 2.489) 4.891 6.544 ( 0.449 0.000 -1.494) 1.560 6.742 ( -4.435 0.000 2.791) 5.240 6.878 ( -9.325 0.000 1.856) 9.508 7.082 ( 6.217 0.000 7.716) 9.909 7.386 ( 3.766 0.000 -1.300) 3.985 7.464 ( -0.748 0.000 2.259) 2.380 7.736 ( 0.820 0.000 -2.374) 2.512 8.886 ( -0.983 0.000 5.591) 5.677 8.991 ( 5.210 0.000 5.295) 7.428 9.274 ( 0.343 0.000 1.270) 1.316 9.409 ( 8.057 0.000 1.309) 8.162 9.466 ( -6.162 0.000 6.880) 9.236 9.625 ( -2.391 0.000 -1.305) 2.724 9.786 ( -1.387 0.000 2.636) 2.978 9.999 ( -0.632 0.000 1.703) 1.816 10.154 ( 1.712 0.000 -2.916) 3.381 10.177 ( 1.056 0.000 -0.722) 1.279 10.268 ( 0.048 0.000 -1.136) 1.137 11.597 ( -1.775 0.000 0.704) 1.910 11.633 ( 0.911 0.000 -6.664) 6.725 11.639 ( 0.186 0.000 1.830) 1.839 11.734 ( -2.134 0.000 1.200) 2.448 11.798 ( -4.552 0.000 -3.467) 5.722 11.925 ( -2.448 0.000 10.883) 11.155 12.175 ( -3.330 0.000 0.009) 3.330 12.342 ( 0.216 0.000 -2.748) 2.756 12.824 ( 11.354 0.000 -6.065) 12.873 13.005 ( 1.958 0.000 -5.140) 5.500 13.912 ( 0.687 0.000 -14.998) 15.014 16.181 ( -0.334 0.000 3.649) 3.664 16.440 ( 0.127 0.000 0.565) 0.579 17.426 ( 0.972 0.000 2.010) 2.233 17.455 ( -2.243 0.000 2.711) 3.519 17.819 ( -3.004 0.000 -2.324) 3.798 17.912 ( 2.969 0.000 -2.505) 3.884 18.976 ( -3.531 0.000 11.910) 12.422 20.478 ( 3.518 0.000 -6.447) 7.344 ======================= Grid point 118 (37/215) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 7.359 0.000 31.874) 32.712 1.216 ( 9.139 0.000 33.296) 34.528 2.037 ( 34.375 0.000 45.312) 56.876 2.744 ( 5.076 0.000 6.146) 7.971 2.820 ( 5.098 0.000 -6.373) 8.161 3.185 ( -5.944 0.000 -12.122) 13.500 3.251 ( -2.228 0.000 -9.087) 9.357 3.390 ( 1.343 0.000 1.035) 1.696 3.672 ( -2.327 0.000 0.632) 2.411 4.021 ( -0.770 0.000 -4.848) 4.909 4.059 ( 4.200 0.000 -7.985) 9.022 4.262 ( -6.906 0.000 1.204) 7.010 4.700 ( 2.759 0.000 1.668) 3.224 4.731 ( -10.737 0.000 -10.447) 14.981 4.898 ( 2.009 0.000 -1.156) 2.317 5.084 ( -2.904 0.000 -4.075) 5.004 5.110 ( 0.670 0.000 -1.189) 1.365 5.552 ( -7.931 0.000 3.771) 8.782 5.773 ( -7.708 0.000 -4.274) 8.814 5.864 ( -2.663 0.000 -3.274) 4.221 6.051 ( 4.069 0.000 2.738) 4.905 6.188 ( -6.075 0.000 -1.730) 6.317 6.320 ( -11.773 0.000 3.675) 12.333 6.513 ( 1.713 0.000 -4.794) 5.091 6.711 ( -6.936 0.000 7.900) 10.513 6.892 ( 5.757 0.000 1.959) 6.081 7.252 ( 2.254 0.000 7.216) 7.560 7.383 ( -0.670 0.000 -7.298) 7.328 7.503 ( 3.092 0.000 2.582) 4.028 7.726 ( 1.480 0.000 -2.632) 3.019 8.957 ( 0.854 0.000 6.964) 7.017 9.157 ( 4.345 0.000 7.545) 8.707 9.316 ( 2.265 0.000 1.749) 2.862 9.436 ( -1.462 0.000 3.125) 3.450 9.553 ( 8.059 0.000 7.355) 10.911 9.723 ( 11.979 0.000 -10.076) 15.653 9.823 ( 0.553 0.000 5.856) 5.882 9.999 ( -2.565 0.000 2.193) 3.374 10.105 ( -2.787 0.000 -3.894) 4.789 10.194 ( 2.540 0.000 -0.792) 2.661 10.270 ( 1.855 0.000 -0.714) 1.988 11.465 ( -9.502 0.000 2.420) 9.806 11.623 ( 4.068 0.000 -7.205) 8.274 11.639 ( -2.857 0.000 1.310) 3.143 11.703 ( -3.092 0.000 2.527) 3.993 11.809 ( 6.334 0.000 -1.105) 6.429 12.075 ( 2.961 0.000 11.691) 12.060 12.175 ( 1.552 0.000 0.012) 1.552 12.343 ( 4.201 0.000 -4.329) 6.033 12.817 ( 2.120 0.000 -7.676) 7.964 12.941 ( -2.365 0.000 -5.946) 6.399 13.699 ( -2.178 0.000 -19.501) 19.622 16.229 ( 0.640 0.000 4.543) 4.588 16.448 ( -0.024 0.000 0.882) 0.883 17.408 ( -4.834 0.000 0.275) 4.841 17.452 ( -1.817 0.000 3.577) 4.012 17.754 ( -2.979 0.000 -4.517) 5.411 17.970 ( 6.944 0.000 -5.388) 8.789 19.072 ( -2.926 0.000 16.888) 17.140 20.411 ( -1.173 0.000 -5.904) 6.020 ======================= Grid point 119 (38/215) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 12.811 0.000 25.749) 28.760 1.718 ( 10.302 0.000 28.205) 30.027 2.834 ( 6.725 0.000 -9.880) 11.951 2.871 ( 3.478 0.000 -3.445) 4.895 2.942 ( 6.145 0.000 4.756) 7.771 3.047 ( -5.893 0.000 -15.291) 16.387 3.099 ( 27.086 0.000 25.280) 37.051 3.430 ( 2.230 0.000 -0.617) 2.314 3.627 ( -2.913 0.000 -0.241) 2.923 3.936 ( -5.323 0.000 -2.750) 5.992 4.043 ( 4.071 0.000 -6.593) 7.748 4.133 ( -1.575 0.000 -5.416) 5.640 4.518 ( -11.294 0.000 3.288) 11.763 4.761 ( 3.238 0.000 -2.022) 3.818 4.886 ( 1.146 0.000 -4.865) 4.998 4.979 ( -4.491 0.000 -1.989) 4.912 5.162 ( 7.303 0.000 -1.554) 7.466 5.441 ( -9.900 0.000 2.819) 10.294 5.550 ( -15.394 0.000 -0.415) 15.400 5.773 ( -4.266 0.000 -3.431) 5.475 6.053 ( -7.055 0.000 0.022) 7.055 6.094 ( -4.583 0.000 1.205) 4.739 6.209 ( -4.080 0.000 -1.502) 4.348 6.549 ( 9.149 0.000 -3.710) 9.873 6.693 ( -7.843 0.000 9.883) 12.617 7.013 ( 4.698 0.000 1.718) 5.002 7.243 ( -3.757 0.000 -8.772) 9.543 7.320 ( -0.559 0.000 5.304) 5.334 7.617 ( 6.498 0.000 2.875) 7.105 7.718 ( 0.990 0.000 -2.453) 2.645 9.056 ( 1.324 0.000 7.260) 7.380 9.229 ( -1.540 0.000 2.049) 2.563 9.394 ( 4.814 0.000 0.174) 4.818 9.438 ( 0.128 0.000 -2.947) 2.950 9.752 ( 5.022 0.000 -6.735) 8.401 9.772 ( 1.856 0.000 4.523) 4.889 9.930 ( 3.109 0.000 6.418) 7.131 9.955 ( -6.654 0.000 3.165) 7.369 10.108 ( 8.700 0.000 8.029) 11.839 10.260 ( 6.538 0.000 -0.190) 6.541 10.298 ( 3.076 0.000 -0.733) 3.162 11.395 ( -2.452 0.000 1.886) 3.093 11.589 ( 3.624 0.000 -9.316) 9.996 11.609 ( -3.750 0.000 3.650) 5.233 11.690 ( -1.855 0.000 2.000) 2.728 11.944 ( 6.433 0.000 6.297) 9.002 12.158 ( 1.322 0.000 -1.350) 1.889 12.256 ( 1.971 0.000 4.843) 5.228 12.358 ( 4.508 0.000 -5.825) 7.366 12.789 ( 3.483 0.000 -3.167) 4.707 12.796 ( -6.457 0.000 -7.409) 9.828 13.449 ( -1.348 0.000 -18.533) 18.582 16.301 ( 1.971 0.000 4.428) 4.847 16.463 ( 0.423 0.000 1.339) 1.404 17.323 ( -4.511 0.000 -1.946) 4.913 17.444 ( -4.760 0.000 4.236) 6.372 17.617 ( -7.073 0.000 -4.948) 8.632 17.938 ( -0.311 0.000 -10.875) 10.879 19.300 ( 4.873 0.000 20.958) 21.517 20.322 ( -1.529 0.000 -6.116) 6.304 ======================= Grid point 120 (39/215) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 11.464 0.000 20.976) 23.904 2.161 ( 9.486 0.000 22.597) 24.507 2.703 ( -0.433 0.000 -24.473) 24.477 2.707 ( -0.307 0.000 -16.050) 16.053 2.851 ( -1.089 0.000 -5.054) 5.170 3.082 ( 3.909 0.000 6.574) 7.648 3.419 ( -2.245 0.000 -1.974) 2.989 3.494 ( -2.968 0.000 -3.464) 4.561 3.802 ( -7.711 0.000 -0.383) 7.720 3.885 ( 14.940 0.000 9.305) 17.601 4.117 ( 15.263 0.000 9.602) 18.032 4.157 ( 9.327 0.000 -4.571) 10.387 4.434 ( -7.707 0.000 9.051) 11.888 4.674 ( -6.627 0.000 -6.666) 9.399 4.855 ( 1.748 0.000 -3.825) 4.206 4.986 ( 2.840 0.000 5.020) 5.768 5.275 ( 10.251 0.000 -4.380) 11.148 5.320 ( -13.275 0.000 3.676) 13.775 5.332 ( -5.321 0.000 -1.646) 5.570 5.647 ( -6.086 0.000 -5.077) 7.926 5.868 ( -12.852 0.000 -1.134) 12.902 6.075 ( -2.421 0.000 4.380) 5.005 6.148 ( -0.223 0.000 -2.602) 2.611 6.626 ( 1.260 0.000 -2.217) 2.550 6.724 ( 1.342 0.000 7.222) 7.346 6.954 ( -8.563 0.000 -6.097) 10.512 7.184 ( 3.234 0.000 -2.054) 3.832 7.402 ( 2.852 0.000 6.976) 7.536 7.713 ( 2.027 0.000 -1.911) 2.786 7.759 ( 7.434 0.000 2.491) 7.840 9.149 ( 0.004 0.000 6.741) 6.741 9.178 ( -3.418 0.000 -4.361) 5.541 9.348 ( -1.911 0.000 -9.793) 9.978 9.421 ( -3.282 0.000 2.017) 3.852 9.746 ( -0.499 0.000 -1.633) 1.708 9.751 ( -1.730 0.000 -0.543) 1.813 9.894 ( -2.677 0.000 3.006) 4.025 10.005 ( -0.313 0.000 0.750) 0.813 10.352 ( 4.648 0.000 5.732) 7.380 10.384 ( 8.790 0.000 -0.249) 8.794 10.542 ( 19.117 0.000 15.218) 24.435 11.412 ( 4.521 0.000 -3.633) 5.800 11.548 ( 0.802 0.000 -2.687) 2.804 11.570 ( -9.790 0.000 7.335) 12.234 11.719 ( 5.069 0.000 -0.780) 5.128 12.116 ( -0.089 0.000 5.928) 5.929 12.150 ( 5.573 0.000 -3.181) 6.417 12.269 ( -1.117 0.000 -0.600) 1.268 12.353 ( 3.120 0.000 -5.673) 6.474 12.582 ( -8.174 0.000 -9.147) 12.267 12.872 ( 5.615 0.000 3.512) 6.623 13.269 ( 1.219 0.000 -13.193) 13.249 16.386 ( 3.154 0.000 3.376) 4.620 16.493 ( 1.422 0.000 1.385) 1.985 17.222 ( -5.230 0.000 -2.365) 5.740 17.392 ( -7.255 0.000 3.279) 7.962 17.444 ( -7.975 0.000 -3.413) 8.674 17.746 ( -6.281 0.000 -11.432) 13.044 19.646 ( 8.885 0.000 18.870) 20.857 20.229 ( -1.052 0.000 -6.798) 6.878 ======================= Grid point 121 (40/215) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 6.369 0.000 16.324) 17.522 2.455 ( 6.077 0.000 -15.891) 17.013 2.529 ( 5.113 0.000 13.648) 14.574 2.562 ( 4.008 0.000 -13.659) 14.235 2.781 ( -1.428 0.000 -4.102) 4.344 3.156 ( -2.623 0.000 2.146) 3.389 3.308 ( -10.990 0.000 0.952) 11.032 3.396 ( -3.244 0.000 -1.253) 3.478 3.721 ( -2.139 0.000 0.629) 2.230 3.963 ( 4.303 0.000 -5.021) 6.612 4.247 ( 8.555 0.000 -6.799) 10.927 4.439 ( -2.643 0.000 -4.280) 5.030 4.480 ( -0.683 0.000 9.958) 9.982 4.620 ( 8.289 0.000 10.722) 13.552 4.869 ( 3.554 0.000 -0.735) 3.629 5.108 ( 0.548 0.000 5.757) 5.783 5.172 ( -6.152 0.000 0.176) 6.155 5.333 ( 6.373 0.000 2.584) 6.877 5.362 ( 6.079 0.000 -5.969) 8.519 5.443 ( -8.884 0.000 -7.843) 11.851 5.714 ( -5.255 0.000 1.528) 5.473 6.090 ( -1.304 0.000 4.902) 5.073 6.160 ( 3.176 0.000 -1.364) 3.457 6.587 ( -0.771 0.000 -4.034) 4.107 6.723 ( -11.264 0.000 -4.969) 12.311 6.823 ( 0.997 0.000 5.783) 5.869 7.192 ( 0.050 0.000 -1.885) 1.885 7.550 ( 5.139 0.000 6.374) 8.188 7.745 ( 3.991 0.000 -1.527) 4.273 7.902 ( 7.157 0.000 1.833) 7.388 9.029 ( -6.956 0.000 -5.872) 9.103 9.139 ( -5.331 0.000 -3.828) 6.563 9.258 ( -0.253 0.000 1.636) 1.655 9.367 ( -6.509 0.000 3.899) 7.588 9.669 ( -6.735 0.000 0.639) 6.765 9.764 ( 4.558 0.000 -2.193) 5.059 9.955 ( 4.840 0.000 1.708) 5.132 9.964 ( -2.773 0.000 -1.311) 3.067 10.489 ( 6.664 0.000 0.976) 6.735 10.511 ( 8.420 0.000 -2.542) 8.796 10.997 ( 14.089 0.000 15.982) 21.306 11.410 ( 4.399 0.000 -8.910) 9.937 11.471 ( -11.329 0.000 6.256) 12.942 11.592 ( 1.533 0.000 5.929) 6.124 11.794 ( 4.477 0.000 -1.908) 4.867 12.021 ( -2.998 0.000 -8.427) 8.945 12.195 ( 1.791 0.000 -4.737) 5.064 12.336 ( 0.334 0.000 -5.559) 5.569 12.358 ( 2.606 0.000 11.406) 11.700 12.373 ( -3.848 0.000 -5.647) 6.834 12.999 ( 3.675 0.000 4.522) 5.827 13.191 ( 2.983 0.000 -7.160) 7.756 16.472 ( 3.916 0.000 1.853) 4.332 16.532 ( 2.310 0.000 -0.387) 2.343 17.104 ( -6.636 0.000 -1.483) 6.800 17.280 ( -8.783 0.000 -0.283) 8.788 17.321 ( -5.451 0.000 1.746) 5.724 17.548 ( -5.475 0.000 -5.068) 7.461 19.949 ( 6.131 0.000 12.180) 13.636 20.142 ( 0.404 0.000 -7.567) 7.578 ======================= Grid point 122 (41/215) ======================= q-point: ( 0.42 0.00 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 10.209 0.000 -6.873) 12.307 2.490 ( 4.071 0.000 -6.452) 7.629 2.672 ( 3.540 0.000 8.545) 9.249 2.683 ( -0.103 0.000 0.527) 0.537 2.813 ( 3.499 0.000 9.715) 10.326 3.070 ( -5.947 0.000 0.576) 5.975 3.107 ( -15.333 0.000 2.056) 15.470 3.374 ( -1.542 0.000 1.386) 2.073 3.730 ( 0.776 0.000 1.280) 1.497 3.977 ( 3.868 0.000 -4.001) 5.565 4.270 ( 5.945 0.000 -9.418) 11.138 4.335 ( -1.837 0.000 -3.193) 3.684 4.569 ( -1.305 0.000 5.501) 5.654 4.763 ( 1.273 0.000 -1.181) 1.737 4.952 ( 4.995 0.000 2.193) 5.455 5.076 ( -3.024 0.000 2.650) 4.021 5.159 ( -2.349 0.000 2.904) 3.735 5.198 ( -7.963 0.000 -3.053) 8.528 5.400 ( 1.851 0.000 -1.794) 2.578 5.525 ( 8.840 0.000 2.170) 9.102 5.715 ( 4.072 0.000 -2.050) 4.559 6.141 ( -0.395 0.000 -8.576) 8.585 6.194 ( 5.891 0.000 8.514) 10.354 6.519 ( -11.324 0.000 1.331) 11.402 6.523 ( 0.593 0.000 -6.773) 6.799 6.884 ( -1.858 0.000 6.766) 7.016 7.161 ( -0.336 0.000 -2.302) 2.326 7.652 ( 1.739 0.000 -0.405) 1.785 7.788 ( 3.533 0.000 -1.974) 4.047 8.007 ( 4.255 0.000 -0.374) 4.272 8.883 ( -4.854 0.000 -0.728) 4.908 9.032 ( -3.137 0.000 0.075) 3.138 9.284 ( -1.555 0.000 4.138) 4.421 9.319 ( -4.599 0.000 3.738) 5.926 9.587 ( -3.630 0.000 0.016) 3.630 9.816 ( 4.447 0.000 -2.331) 5.021 9.923 ( -1.433 0.000 0.922) 1.704 10.040 ( 3.737 0.000 0.222) 3.744 10.560 ( 4.734 0.000 -5.044) 6.918 10.578 ( 6.048 0.000 -6.576) 8.934 11.243 ( -1.871 0.000 4.319) 4.707 11.385 ( 2.050 0.000 -4.000) 4.495 11.418 ( -3.838 0.000 8.696) 9.506 11.653 ( 1.297 0.000 -3.024) 3.291 11.791 ( 1.126 0.000 -3.334) 3.519 11.924 ( -0.661 0.000 0.527) 0.845 12.163 ( 3.375 0.000 -7.979) 8.663 12.253 ( 1.002 0.000 -3.133) 3.289 12.365 ( 1.179 0.000 0.100) 1.184 12.508 ( -1.463 0.000 12.951) 13.034 13.071 ( 0.361 0.000 2.108) 2.139 13.192 ( 3.465 0.000 -2.425) 4.230 16.540 ( 2.916 0.000 -0.399) 2.943 16.544 ( 2.022 0.000 -4.010) 4.491 17.003 ( -4.231 0.000 0.155) 4.234 17.150 ( -5.741 0.000 0.133) 5.743 17.317 ( -3.538 0.000 10.039) 10.644 17.471 ( -2.204 0.000 1.886) 2.901 20.078 ( 2.725 0.000 -8.249) 8.687 20.086 ( -0.014 0.000 3.031) 3.031 ======================= Grid point 123 (42/215) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 1.266 0.000 -1.455) 1.929 2.551 ( 1.921 0.000 0.642) 2.025 2.701 ( -4.156 0.000 1.194) 4.324 2.706 ( 1.535 0.000 -0.694) 1.684 2.892 ( -0.953 0.000 7.303) 7.365 3.007 ( -1.497 0.000 9.070) 9.193 3.104 ( 3.970 0.000 7.664) 8.631 3.346 ( -2.672 0.000 -0.504) 2.719 3.745 ( -0.982 0.000 1.181) 1.536 4.001 ( 3.829 0.000 -2.667) 4.666 4.231 ( 4.084 0.000 -11.647) 12.342 4.310 ( 1.990 0.000 -2.288) 3.032 4.522 ( -6.156 0.000 -2.622) 6.691 4.670 ( -3.348 0.000 -9.955) 10.503 4.994 ( -2.279 0.000 2.557) 3.426 5.106 ( -1.203 0.000 5.864) 5.986 5.140 ( -2.145 0.000 0.720) 2.263 5.225 ( 6.939 0.000 7.489) 10.209 5.429 ( 2.522 0.000 1.611) 2.993 5.583 ( -3.230 0.000 -1.185) 3.441 5.746 ( 2.567 0.000 -3.606) 4.426 5.979 ( -3.153 0.000 -11.236) 11.670 6.364 ( -7.745 0.000 4.365) 8.890 6.461 ( 1.935 0.000 -7.853) 8.088 6.463 ( 10.380 0.000 8.083) 13.156 6.921 ( -2.817 0.000 6.753) 7.317 7.145 ( 1.493 0.000 -1.888) 2.407 7.576 ( -4.157 0.000 -8.772) 9.708 7.804 ( 1.189 0.000 -2.043) 2.364 8.005 ( -1.512 0.000 -3.911) 4.193 8.901 ( 3.719 0.000 5.443) 6.592 9.058 ( 1.776 0.000 5.171) 5.467 9.301 ( -1.921 0.000 4.571) 4.959 9.308 ( -2.500 0.000 3.953) 4.677 9.560 ( 0.189 0.000 0.055) 0.197 9.842 ( 2.700 0.000 -2.837) 3.917 9.940 ( -0.531 0.000 3.701) 3.739 10.063 ( -0.605 0.000 -0.750) 0.964 10.517 ( 0.105 0.000 -9.726) 9.727 10.554 ( 2.336 0.000 -9.418) 9.703 11.192 ( -3.123 0.000 -0.442) 3.154 11.332 ( -11.785 0.000 -2.593) 12.067 11.393 ( 2.847 0.000 -1.400) 3.172 11.576 ( -0.038 0.000 -8.782) 8.782 11.849 ( 4.193 0.000 2.456) 4.859 11.983 ( 0.840 0.000 3.184) 3.293 12.148 ( 5.114 0.000 -4.299) 6.681 12.303 ( 4.715 0.000 3.783) 6.045 12.385 ( 0.762 0.000 0.842) 1.136 12.591 ( -6.325 0.000 12.836) 14.310 13.054 ( -2.589 0.000 -1.821) 3.166 13.240 ( 3.687 0.000 0.971) 3.813 16.508 ( 0.691 0.000 -5.681) 5.723 16.536 ( -0.987 0.000 -3.196) 3.345 16.993 ( 1.734 0.000 1.849) 2.535 17.120 ( 0.138 0.000 1.333) 1.341 17.416 ( -3.393 0.000 16.470) 16.816 17.531 ( 2.541 0.000 9.316) 9.656 20.012 ( -6.830 0.000 -6.375) 9.343 20.048 ( 5.453 0.000 -8.571) 10.158 ======================= Grid point 124 (43/215) ======================= q-point: (-0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -16.419 0.000 -10.305) 19.385 2.390 ( -15.361 0.000 1.277) 15.414 2.731 ( 6.232 0.000 1.198) 6.347 2.801 ( 4.113 0.000 9.621) 10.464 3.079 ( -1.936 0.000 9.194) 9.395 3.197 ( 16.571 0.000 14.093) 21.753 3.203 ( -5.218 0.000 2.464) 5.771 3.357 ( 7.239 0.000 2.998) 7.835 3.725 ( -2.714 0.000 0.782) 2.825 4.029 ( 2.324 0.000 -2.743) 3.595 4.153 ( 3.605 0.000 -12.234) 12.754 4.306 ( 0.981 0.000 -11.890) 11.930 4.358 ( -7.516 0.000 -5.771) 9.476 4.482 ( -4.274 0.000 -4.519) 6.219 5.003 ( -2.441 0.000 5.903) 6.388 5.073 ( -5.020 0.000 -0.555) 5.051 5.164 ( -0.375 0.000 3.652) 3.672 5.409 ( -11.119 0.000 -3.306) 11.600 5.467 ( 11.760 0.000 6.935) 13.653 5.515 ( 4.488 0.000 3.284) 5.561 5.692 ( -4.565 0.000 -3.365) 5.671 5.862 ( 2.072 0.000 -8.304) 8.559 6.317 ( -3.923 0.000 7.051) 8.069 6.411 ( 2.504 0.000 -7.525) 7.931 6.747 ( 12.177 0.000 6.478) 13.793 6.946 ( -3.297 0.000 5.946) 6.799 7.169 ( 2.958 0.000 0.235) 2.967 7.367 ( -5.708 0.000 -12.379) 13.632 7.783 ( -1.149 0.000 -1.456) 1.855 7.897 ( -4.549 0.000 -5.393) 7.056 9.082 ( 8.525 0.000 6.747) 10.872 9.133 ( 0.251 0.000 2.121) 2.136 9.313 ( -1.271 0.000 2.654) 2.942 9.357 ( 2.354 0.000 5.848) 6.304 9.588 ( 2.443 0.000 0.441) 2.482 9.841 ( 0.060 0.000 -1.933) 1.934 9.968 ( -0.780 0.000 2.902) 3.005 10.023 ( -3.819 0.000 1.596) 4.139 10.360 ( -4.344 0.000 -10.762) 11.606 10.453 ( -0.901 0.000 -10.010) 10.050 11.015 ( -17.263 0.000 -5.121) 18.007 11.215 ( 3.666 0.000 -2.213) 4.282 11.427 ( 2.834 0.000 -4.286) 5.139 11.511 ( 2.343 0.000 -2.707) 3.580 11.893 ( -1.543 0.000 1.230) 1.973 11.957 ( -0.086 0.000 -6.775) 6.775 12.242 ( 4.318 0.000 4.332) 6.116 12.411 ( 2.311 0.000 1.156) 2.584 12.475 ( 6.410 0.000 8.002) 10.252 12.594 ( -10.714 0.000 12.258) 16.280 12.956 ( -3.780 0.000 -6.038) 7.123 13.335 ( 5.011 0.000 3.900) 6.350 16.453 ( -3.628 0.000 -4.234) 5.576 16.455 ( 0.171 0.000 -4.505) 4.508 17.092 ( 6.950 0.000 2.889) 7.526 17.153 ( 3.631 0.000 -1.372) 3.881 17.556 ( -4.137 0.000 18.667) 19.120 17.756 ( 6.676 0.000 16.453) 17.756 19.738 ( -12.730 0.000 -14.145) 19.030 20.060 ( 7.829 0.000 -8.226) 11.356 ======================= Grid point 125 (44/215) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -20.774 0.000 -12.500) 24.244 2.087 ( -24.344 0.000 1.597) 24.396 2.857 ( 6.421 0.000 0.410) 6.434 2.971 ( 2.056 0.000 8.098) 8.355 3.089 ( -7.402 0.000 -0.403) 7.413 3.175 ( 3.219 0.000 9.749) 10.266 3.523 ( 5.949 0.000 3.957) 7.145 3.629 ( 13.915 0.000 9.153) 16.656 3.685 ( -4.452 0.000 8.440) 9.542 3.758 ( -26.151 0.000 -22.223) 34.318 4.103 ( 7.084 0.000 -10.779) 12.899 4.135 ( 1.169 0.000 -2.667) 2.912 4.180 ( -5.405 0.000 -5.147) 7.463 4.573 ( 11.559 0.000 1.619) 11.672 4.956 ( -6.900 0.000 -2.004) 7.185 5.042 ( -1.703 0.000 6.686) 6.900 5.180 ( 0.181 0.000 0.607) 0.633 5.307 ( 0.932 0.000 -0.113) 0.939 5.518 ( -10.224 0.000 -2.047) 10.427 5.643 ( 5.958 0.000 1.368) 6.113 5.733 ( 12.962 0.000 3.812) 13.511 5.849 ( 5.669 0.000 -4.984) 7.548 6.369 ( 1.985 0.000 -6.459) 6.758 6.383 ( -1.759 0.000 11.294) 11.430 6.921 ( -8.194 0.000 4.187) 9.202 6.937 ( 7.324 0.000 -2.182) 7.642 7.180 ( 0.176 0.000 -10.356) 10.358 7.266 ( 4.575 0.000 7.284) 8.602 7.748 ( -1.393 0.000 -0.677) 1.549 7.761 ( -5.233 0.000 -4.817) 7.112 9.108 ( -4.110 0.000 0.237) 4.117 9.182 ( -2.215 0.000 -1.223) 2.530 9.420 ( 9.889 0.000 6.269) 11.708 9.461 ( 3.414 0.000 0.432) 3.441 9.628 ( 3.954 0.000 -1.330) 4.172 9.779 ( -5.784 0.000 -1.673) 6.021 9.968 ( -1.922 0.000 -0.171) 1.930 10.023 ( -2.357 0.000 8.444) 8.767 10.188 ( -2.955 0.000 -7.502) 8.063 10.323 ( -1.996 0.000 -8.274) 8.511 10.660 ( -19.489 0.000 -3.912) 19.878 11.292 ( 7.853 0.000 -1.437) 7.984 11.378 ( -1.404 0.000 -3.243) 3.534 11.592 ( 7.166 0.000 0.082) 7.167 11.841 ( -6.054 0.000 1.129) 6.159 11.863 ( -0.757 0.000 -8.228) 8.263 12.322 ( -0.347 0.000 2.312) 2.338 12.473 ( 3.149 0.000 1.460) 3.471 12.529 ( -13.357 0.000 10.689) 17.107 12.659 ( 6.291 0.000 6.068) 8.740 12.826 ( -1.494 0.000 -8.121) 8.257 13.491 ( 7.487 0.000 6.332) 9.805 16.342 ( -4.167 0.000 -4.119) 5.859 16.420 ( 0.447 0.000 -2.557) 2.596 17.202 ( 5.459 0.000 -2.885) 6.175 17.257 ( 8.657 0.000 3.264) 9.251 17.691 ( -4.000 0.000 17.120) 17.581 18.073 ( 7.001 0.000 19.341) 20.569 19.315 ( -16.110 0.000 -19.323) 25.158 20.110 ( 8.984 0.000 -7.131) 11.470 ======================= Grid point 126 (45/215) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -24.092 0.000 -12.087) 26.954 1.663 ( -31.144 0.000 1.931) 31.204 2.807 ( -17.636 0.000 -11.764) 21.199 2.916 ( -27.410 0.000 -12.232) 30.015 3.035 ( -2.068 0.000 5.625) 5.993 3.109 ( -1.441 0.000 0.398) 1.495 3.377 ( 4.648 0.000 10.344) 11.340 3.569 ( -7.403 0.000 -2.335) 7.762 3.622 ( 2.182 0.000 1.711) 2.773 3.855 ( 1.732 0.000 -1.697) 2.424 4.119 ( 2.322 0.000 1.525) 2.778 4.153 ( 2.772 0.000 -2.222) 3.553 4.281 ( 18.659 0.000 4.740) 19.252 4.795 ( 10.351 0.000 0.225) 10.354 4.847 ( -0.953 0.000 -0.965) 1.356 5.093 ( -1.736 0.000 6.726) 6.947 5.205 ( 2.492 0.000 -0.444) 2.531 5.314 ( -9.944 0.000 -3.290) 10.474 5.381 ( 8.417 0.000 -1.235) 8.508 5.758 ( 6.157 0.000 0.670) 6.194 5.936 ( 8.980 0.000 -0.369) 8.987 5.941 ( 9.424 0.000 0.229) 9.427 6.335 ( 2.966 0.000 -5.829) 6.540 6.481 ( -3.436 0.000 12.390) 12.858 6.808 ( -8.532 0.000 2.912) 9.015 6.947 ( 1.409 0.000 -6.179) 6.337 7.132 ( 2.495 0.000 -5.324) 5.880 7.447 ( 4.931 0.000 9.435) 10.646 7.626 ( -5.705 0.000 -3.618) 6.755 7.730 ( -0.099 0.000 -0.397) 0.410 9.028 ( -5.749 0.000 -0.159) 5.751 9.079 ( -4.154 0.000 -5.697) 7.051 9.427 ( -3.410 0.000 -3.826) 5.126 9.620 ( -10.191 0.000 1.823) 10.353 9.649 ( 6.482 0.000 2.293) 6.876 9.724 ( 9.583 0.000 -2.336) 9.864 9.905 ( -4.359 0.000 -0.396) 4.377 10.097 ( -1.513 0.000 -4.287) 4.546 10.111 ( 0.150 0.000 7.382) 7.384 10.222 ( -2.726 0.000 -1.788) 3.261 10.366 ( -12.124 0.000 -0.907) 12.158 11.342 ( -0.980 0.000 1.140) 1.504 11.418 ( 8.208 0.000 0.642) 8.233 11.697 ( 5.478 0.000 -2.399) 5.981 11.750 ( -5.933 0.000 0.629) 5.966 11.769 ( -0.068 0.000 -4.746) 4.747 12.248 ( -8.411 0.000 -2.518) 8.780 12.436 ( -10.942 0.000 8.273) 13.718 12.516 ( -0.651 0.000 1.717) 1.837 12.748 ( 2.323 0.000 -7.662) 8.007 12.808 ( 7.404 0.000 1.415) 7.538 13.700 ( 9.342 0.000 6.126) 11.172 16.239 ( -3.448 0.000 -2.934) 4.527 16.411 ( 0.768 0.000 -1.003) 1.263 17.261 ( 5.952 0.000 -2.777) 6.568 17.412 ( 5.752 0.000 2.770) 6.384 17.815 ( -1.054 0.000 12.661) 12.705 18.370 ( 0.106 0.000 20.538) 20.538 18.840 ( -11.822 0.000 -22.103) 25.066 20.179 ( 8.271 0.000 -5.426) 9.892 ======================= Grid point 127 (46/215) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -27.158 0.000 -5.614) 27.732 1.153 ( -35.160 0.000 1.110) 35.178 1.890 ( -54.388 0.000 -11.059) 55.501 2.716 ( -6.676 0.000 -1.695) 6.887 3.043 ( -5.371 0.000 5.157) 7.446 3.169 ( 3.022 0.000 -0.185) 3.028 3.398 ( -9.227 0.000 -1.500) 9.348 3.476 ( -1.423 0.000 3.265) 3.561 3.649 ( 0.224 0.000 0.454) 0.506 3.913 ( 11.988 0.000 -6.244) 13.517 4.156 ( 2.836 0.000 -5.326) 6.034 4.184 ( 2.589 0.000 2.210) 3.404 4.650 ( 15.452 0.000 7.174) 17.036 4.785 ( -3.689 0.000 6.564) 7.530 5.002 ( 10.920 0.000 -3.564) 11.487 5.085 ( -8.551 0.000 5.133) 9.973 5.205 ( 0.964 0.000 -1.235) 1.567 5.229 ( 1.088 0.000 -1.308) 1.701 5.536 ( 14.479 0.000 -3.694) 14.943 5.837 ( 4.334 0.000 -1.851) 4.713 6.017 ( 1.393 0.000 -1.209) 1.844 6.109 ( 10.436 0.000 2.414) 10.711 6.371 ( 8.815 0.000 -3.783) 9.592 6.528 ( -6.924 0.000 9.994) 12.158 6.750 ( -4.517 0.000 5.062) 6.785 6.883 ( -1.305 0.000 -3.989) 4.197 7.089 ( -1.469 0.000 -4.985) 5.197 7.513 ( -4.498 0.000 -1.197) 4.655 7.594 ( 3.248 0.000 3.547) 4.810 7.736 ( 0.687 0.000 0.731) 1.003 8.933 ( -5.592 0.000 -0.125) 5.593 8.958 ( -2.492 0.000 -5.166) 5.736 9.326 ( -3.618 0.000 -2.934) 4.658 9.436 ( -9.174 0.000 -2.435) 9.492 9.682 ( -10.982 0.000 6.751) 12.891 9.836 ( -4.541 0.000 1.139) 4.681 9.843 ( 8.446 0.000 -2.897) 8.929 10.093 ( 5.074 0.000 -0.840) 5.143 10.116 ( 1.004 0.000 -5.315) 5.409 10.240 ( -3.089 0.000 8.956) 9.474 10.257 ( -1.507 0.000 -1.511) 2.134 11.392 ( 2.218 0.000 6.937) 7.283 11.549 ( 5.429 0.000 2.153) 5.840 11.654 ( 1.887 0.000 -9.162) 9.355 11.688 ( -1.712 0.000 0.341) 1.745 11.806 ( 0.117 0.000 4.472) 4.474 12.059 ( -9.243 0.000 -3.485) 9.878 12.371 ( -7.842 0.000 7.812) 11.069 12.485 ( -4.598 0.000 0.558) 4.632 12.692 ( 2.243 0.000 -10.914) 11.142 12.925 ( 7.623 0.000 -2.112) 7.910 13.895 ( 8.889 0.000 1.476) 9.010 16.175 ( -2.069 0.000 -0.642) 2.166 16.418 ( 0.798 0.000 -0.108) 0.806 17.325 ( 5.065 0.000 -1.655) 5.329 17.486 ( 1.308 0.000 0.394) 1.366 17.938 ( 3.000 0.000 5.673) 6.418 18.283 ( -19.052 0.000 -3.951) 19.457 18.723 ( 7.483 0.000 3.696) 8.346 20.244 ( 5.348 0.000 -2.203) 5.784 ======================= Grid point 128 (47/215) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -22.626 0.000 20.236) 30.355 0.577 ( -34.235 0.000 3.248) 34.389 1.077 ( -52.386 0.000 28.432) 59.604 2.618 ( -3.597 0.000 -1.339) 3.838 2.955 ( -8.256 0.000 0.050) 8.256 3.221 ( 4.483 0.000 6.589) 7.969 3.308 ( -3.025 0.000 2.437) 3.884 3.457 ( -1.458 0.000 -1.365) 1.998 3.655 ( -0.144 0.000 1.019) 1.029 4.027 ( 11.348 0.000 -8.698) 14.298 4.134 ( 3.572 0.000 -7.104) 7.952 4.242 ( 0.246 0.000 4.182) 4.189 4.844 ( 2.486 0.000 1.656) 2.987 4.864 ( -0.557 0.000 1.626) 1.719 5.063 ( -2.001 0.000 7.229) 7.501 5.115 ( 8.461 0.000 8.325) 11.870 5.204 ( 1.189 0.000 -5.743) 5.865 5.216 ( 0.109 0.000 3.211) 3.213 5.739 ( 15.750 0.000 -4.341) 16.337 5.870 ( 4.389 0.000 -2.877) 5.248 5.995 ( -1.860 0.000 -1.383) 2.318 6.278 ( 6.989 0.000 0.672) 7.022 6.478 ( -7.850 0.000 3.607) 8.639 6.493 ( 7.323 0.000 -0.309) 7.329 6.759 ( -1.548 0.000 3.732) 4.040 6.862 ( 1.174 0.000 3.458) 3.652 7.000 ( -2.198 0.000 -1.274) 2.540 7.465 ( -2.116 0.000 1.463) 2.572 7.583 ( -3.459 0.000 -10.091) 10.668 7.751 ( 0.080 0.000 -0.936) 0.939 8.867 ( -3.121 0.000 2.022) 3.718 8.911 ( 1.268 0.000 -0.694) 1.446 9.269 ( -1.819 0.000 2.624) 3.193 9.304 ( -4.767 0.000 -0.673) 4.814 9.549 ( -13.563 0.000 7.798) 15.645 9.796 ( -2.695 0.000 1.669) 3.170 9.894 ( 2.009 0.000 -9.144) 9.362 10.047 ( -4.706 0.000 -5.771) 7.446 10.146 ( 3.081 0.000 -2.651) 4.065 10.213 ( -4.820 0.000 -2.691) 5.520 10.260 ( 1.994 0.000 -0.340) 2.022 11.561 ( 4.865 0.000 5.389) 7.260 11.609 ( 4.691 0.000 -3.988) 6.158 11.612 ( 0.992 0.000 1.198) 1.556 11.715 ( 2.028 0.000 1.754) 2.682 11.851 ( -1.077 0.000 8.519) 8.587 11.923 ( -5.446 0.000 0.290) 5.454 12.392 ( -0.962 0.000 -4.104) 4.215 12.402 ( -4.488 0.000 -1.251) 4.659 12.554 ( -2.283 0.000 2.686) 3.526 12.997 ( 5.533 0.000 -4.085) 6.877 13.986 ( 5.517 0.000 -6.739) 8.709 16.159 ( -0.922 0.000 1.891) 2.104 16.430 ( 0.510 0.000 0.313) 0.599 17.382 ( 3.162 0.000 0.046) 3.163 17.469 ( -0.832 0.000 -3.081) 3.192 17.976 ( -0.210 0.000 -8.649) 8.651 17.993 ( -8.579 0.000 -5.172) 10.017 18.879 ( 1.403 0.000 9.475) 9.578 20.336 ( 5.746 0.000 7.590) 9.520 ======================= Grid point 129 (48/215) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 5.306 22.873 18.850) 30.111 0.905 ( -2.760 17.937 25.854) 31.588 1.725 ( 1.317 43.443 39.413) 58.672 2.676 ( 2.561 4.894 2.024) 5.882 2.884 ( -1.596 2.392 -5.591) 6.287 3.154 ( -1.082 -8.718 4.164) 9.722 3.366 ( -0.199 0.171 -2.737) 2.750 3.529 ( 2.202 6.874 -7.806) 10.632 3.705 ( -2.409 5.140 3.815) 6.839 3.994 ( 2.770 -8.050 -7.937) 11.639 4.109 ( 2.301 -0.416 -5.007) 5.526 4.281 ( -1.789 -0.715 3.408) 3.915 4.745 ( -3.883 5.000 2.015) 6.644 4.861 ( -4.105 -10.750 -7.103) 13.523 4.930 ( 3.099 2.372 -6.080) 7.225 5.077 ( -3.500 -1.623 6.315) 7.400 5.155 ( -2.854 -3.454 -5.459) 7.062 5.571 ( 14.381 -2.021 5.256) 15.444 5.700 ( -9.132 -1.656 6.563) 11.367 5.817 ( -0.156 -3.269 -4.935) 5.922 5.927 ( 2.684 -1.252 -1.868) 3.501 6.186 ( -1.240 -7.247 -1.885) 7.590 6.530 ( 3.084 -2.228 -1.597) 4.126 6.654 ( -1.986 0.298 1.935) 2.789 6.721 ( -3.875 1.643 -0.702) 4.267 6.828 ( -0.769 -0.094 0.233) 0.809 7.154 ( 3.153 4.875 0.765) 5.856 7.369 ( -1.263 -1.049 -1.691) 2.357 7.470 ( -0.206 0.756 2.723) 2.834 7.743 ( 0.331 0.613 -1.701) 1.838 8.871 ( -0.445 1.150 2.599) 2.877 9.132 ( 5.044 7.210 4.671) 9.962 9.289 ( -3.020 1.846 3.677) 5.104 9.470 ( 11.337 4.970 4.553) 13.190 9.499 ( -10.490 4.267 5.254) 12.484 9.671 ( 2.131 4.818 -0.589) 5.301 9.945 ( -6.608 3.448 -1.333) 7.572 10.051 ( 0.585 1.605 -5.736) 5.984 10.086 ( 2.128 -5.318 0.392) 5.741 10.142 ( 1.293 -0.283 -2.591) 2.909 10.265 ( 0.543 0.171 0.913) 1.076 11.525 ( -1.661 -3.817 1.342) 4.374 11.581 ( 2.732 -2.811 -3.733) 5.413 11.667 ( -7.437 3.117 -1.789) 8.260 11.749 ( 1.587 3.656 1.898) 4.414 11.906 ( 0.796 -1.810 8.877) 9.095 11.978 ( -1.480 7.686 -3.352) 8.514 12.273 ( -3.001 7.869 -3.282) 9.039 12.314 ( -1.727 -2.344 -2.987) 4.171 12.687 ( 9.629 -6.595 4.490) 12.505 12.995 ( 2.493 -1.313 -5.464) 6.148 13.771 ( -0.460 -12.948 -12.888) 18.275 16.192 ( -0.130 1.167 3.529) 3.719 16.444 ( -0.038 0.322 0.708) 0.778 17.413 ( -0.263 -3.733 2.303) 4.394 17.453 ( 1.443 3.289 -4.976) 6.137 17.815 ( 3.272 -5.288 -3.013) 6.910 18.015 ( -2.814 10.137 -9.532) 14.196 18.962 ( -2.738 -0.597 15.086) 15.344 20.380 ( 0.252 -5.748 1.781) 6.023 ======================= Grid point 130 (49/215) ======================= q-point: ( 0.08 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 9.507 13.090 23.575) 28.592 1.405 ( 16.368 12.506 27.450) 34.319 2.370 ( 21.278 28.247 39.125) 52.739 2.751 ( 4.327 1.333 -0.033) 4.527 2.879 ( 5.711 4.578 -1.290) 7.433 3.145 ( -3.447 -4.410 -1.732) 5.859 3.277 ( -1.642 1.183 -10.094) 10.294 3.444 ( 1.563 5.575 -8.835) 10.563 3.682 ( -2.932 0.982 0.755) 3.183 3.949 ( 1.850 -5.450 -5.339) 7.851 4.038 ( -4.004 -0.743 -3.169) 5.160 4.256 ( -4.493 -2.012 -0.111) 4.924 4.672 ( -8.214 -4.170 -5.778) 10.874 4.754 ( 2.102 2.663 -1.273) 3.623 4.903 ( 0.572 0.820 -4.632) 4.739 5.054 ( -2.672 -2.583 -1.285) 3.932 5.106 ( 1.140 0.751 1.303) 1.887 5.597 ( -10.463 3.132 4.555) 11.833 5.663 ( -8.356 -6.695 -1.761) 10.851 5.846 ( 7.794 -5.966 0.077) 9.816 5.925 ( 0.129 0.644 -2.007) 2.111 6.114 ( -4.544 -4.973 -1.208) 6.844 6.481 ( -6.918 3.706 -1.718) 8.034 6.605 ( -0.270 4.500 -3.700) 5.832 6.665 ( -5.522 -2.839 7.741) 9.923 6.894 ( 6.495 1.725 1.016) 6.797 7.247 ( 2.366 0.712 4.893) 5.482 7.353 ( 1.281 -2.256 -6.304) 6.817 7.516 ( 2.700 1.101 2.507) 3.846 7.725 ( 0.550 0.190 -2.206) 2.281 8.928 ( 1.767 -1.106 5.066) 5.478 9.232 ( 0.312 3.936 4.053) 5.658 9.285 ( -4.403 1.284 4.853) 6.677 9.482 ( 0.575 1.293 6.480) 6.632 9.655 ( 8.151 2.030 -4.708) 9.629 9.721 ( 1.681 7.699 6.267) 10.069 9.888 ( 3.578 2.870 -0.874) 4.670 9.987 ( -2.422 -4.175 -1.243) 4.984 10.113 ( 0.652 2.927 -0.025) 2.999 10.190 ( 6.193 -1.805 -2.060) 6.771 10.267 ( -1.198 1.627 1.399) 2.458 11.447 ( -12.690 -5.545 3.815) 14.365 11.561 ( 0.555 -0.788 -0.893) 1.314 11.591 ( 2.557 1.363 -2.142) 3.604 11.807 ( 1.214 4.199 2.791) 5.186 11.904 ( -1.707 6.525 -3.208) 7.469 12.080 ( 5.594 0.603 9.305) 10.874 12.162 ( -1.114 -1.162 -2.123) 2.665 12.378 ( 7.236 4.059 -3.216) 8.898 12.766 ( 2.555 -3.298 -4.107) 5.854 12.939 ( -1.601 -0.335 -5.910) 6.132 13.559 ( -3.537 -12.610 -17.690) 22.011 16.241 ( 0.653 1.214 4.493) 4.700 16.448 ( -0.428 -0.004 0.976) 1.065 17.363 ( -1.228 -0.081 -5.310) 5.451 17.532 ( 3.421 1.624 4.302) 5.732 17.827 ( -5.555 5.491 -10.199) 12.846 17.899 ( 8.697 -5.981 -4.075) 11.314 19.094 ( -3.679 2.564 18.946) 19.469 20.329 ( -4.394 -6.169 -2.222) 7.894 ======================= Grid point 131 (50/215) ======================= q-point: ( 0.17 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 13.976 7.754 20.660) 26.120 1.936 ( 12.682 14.441 25.518) 31.946 2.788 ( 5.979 -0.649 -9.806) 11.503 2.972 ( -1.015 1.105 -6.837) 7.000 2.999 ( 3.629 6.559 1.460) 7.636 3.091 ( -1.353 5.395 -11.010) 12.335 3.164 ( 19.891 4.474 21.392) 29.552 3.463 ( 7.401 3.783 0.119) 8.313 3.655 ( -0.693 2.826 2.790) 4.031 3.897 ( -4.912 -5.171 -5.135) 8.789 3.937 ( -1.585 -1.515 -1.116) 2.460 4.187 ( 1.575 1.012 -4.194) 4.593 4.514 ( -10.098 0.125 3.541) 10.702 4.703 ( -1.850 -7.846 -8.963) 12.055 4.892 ( 1.773 4.765 0.019) 5.084 5.012 ( -1.072 1.053 -0.199) 1.516 5.178 ( 6.856 1.684 -1.094) 7.144 5.454 ( -10.405 0.694 0.430) 10.437 5.465 ( -13.918 -5.333 0.501) 14.913 5.835 ( -3.717 3.383 -3.223) 5.970 5.932 ( -0.965 -4.846 -1.716) 5.231 6.052 ( -3.549 -3.333 2.236) 5.357 6.346 ( -6.721 6.110 -0.862) 9.124 6.616 ( 6.023 4.150 -3.783) 8.235 6.673 ( -4.716 -1.007 8.492) 9.765 7.013 ( 4.700 0.703 2.032) 5.168 7.240 ( -2.499 -0.356 -9.020) 9.366 7.317 ( 0.005 0.299 4.420) 4.430 7.618 ( 5.748 0.128 2.996) 6.483 7.713 ( 1.030 -0.181 -2.312) 2.537 9.021 ( 2.098 -2.811 5.389) 6.430 9.227 ( -3.947 -0.479 1.590) 4.282 9.276 ( 0.167 -3.777 -0.402) 3.802 9.570 ( 1.054 5.131 -0.330) 5.249 9.587 ( -2.218 -7.253 -5.455) 9.342 9.875 ( 2.179 1.820 11.216) 11.570 9.932 ( -4.180 -1.787 0.580) 4.583 10.031 ( 3.687 8.935 1.336) 9.758 10.154 ( 7.614 0.620 5.033) 9.148 10.256 ( 3.830 -3.286 -0.957) 5.137 10.312 ( 6.294 6.799 3.040) 9.751 11.323 ( -9.218 -8.998 6.126) 14.264 11.577 ( 0.997 -0.664 0.591) 1.336 11.616 ( 3.348 4.435 -2.632) 6.149 11.769 ( -2.073 6.010 -2.664) 6.893 11.964 ( 4.022 -0.206 5.836) 7.090 12.108 ( 2.748 -2.398 -5.738) 6.799 12.284 ( 3.172 3.931 6.159) 7.966 12.439 ( 5.584 5.372 -4.204) 8.815 12.753 ( 2.749 -2.675 -2.801) 4.750 12.816 ( -4.442 2.069 -6.949) 8.503 13.309 ( -2.112 -12.550 -17.324) 21.496 16.310 ( 1.568 0.862 4.475) 4.820 16.456 ( -0.143 -0.640 1.379) 1.527 17.283 ( -0.928 -0.703 -5.710) 5.827 17.561 ( -7.070 4.678 -3.513) 9.176 17.636 ( -2.484 2.573 -1.724) 3.970 17.951 ( 3.966 1.381 -7.386) 8.496 19.297 ( 1.259 0.182 21.340) 21.377 20.223 ( -4.071 -8.324 -4.205) 10.176 ======================= Grid point 132 (51/215) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 12.923 4.572 16.908) 21.766 2.365 ( 8.562 13.709 20.188) 25.861 2.652 ( 2.197 0.856 -20.169) 20.307 2.871 ( -4.674 5.980 -8.938) 11.725 2.894 ( 2.579 5.577 -9.682) 11.467 3.124 ( 3.352 4.269 5.088) 7.440 3.409 ( 2.039 -1.172 -2.213) 3.229 3.508 ( -2.497 1.080 -3.749) 4.632 3.768 ( -6.126 -4.094 1.023) 7.439 3.868 ( 2.835 -0.922 -0.409) 3.009 4.075 ( 17.867 2.734 17.443) 25.119 4.232 ( 9.086 2.723 -3.329) 10.052 4.430 ( -7.073 -0.140 5.589) 9.016 4.550 ( -4.712 -8.954 -5.042) 11.305 4.904 ( 0.417 4.403 -1.901) 4.814 5.046 ( 3.133 3.799 3.647) 6.128 5.234 ( -4.947 -4.182 -1.089) 6.569 5.310 ( 0.494 -0.162 -2.893) 2.940 5.320 ( -3.209 -0.083 0.608) 3.267 5.713 ( -6.814 4.160 -4.334) 9.084 5.822 ( -7.647 -1.869 -2.894) 8.387 6.044 ( -2.290 -2.417 4.551) 5.639 6.268 ( -2.512 7.813 0.092) 8.207 6.640 ( -0.373 1.797 -0.716) 1.970 6.739 ( 3.137 0.858 4.013) 5.165 6.970 ( -8.196 1.560 -5.926) 10.233 7.177 ( 3.450 -0.325 -2.141) 4.073 7.392 ( 2.428 -0.695 6.318) 6.804 7.704 ( 1.675 -0.735 -1.427) 2.320 7.755 ( 6.793 -0.435 1.935) 7.076 9.082 ( -0.497 -5.603 -0.375) 5.637 9.187 ( -2.204 -0.064 2.569) 3.385 9.248 ( -1.114 -5.208 -3.832) 6.561 9.424 ( -5.311 -3.228 -4.253) 7.531 9.637 ( 1.562 -1.512 1.456) 2.616 9.857 ( -6.952 -0.923 2.041) 7.304 9.903 ( -1.978 3.890 -0.730) 4.424 10.051 ( -2.069 2.570 0.116) 3.302 10.309 ( 5.169 -3.371 4.019) 7.365 10.386 ( 7.807 -0.924 1.663) 8.035 10.596 ( 15.982 5.569 14.621) 22.366 11.285 ( -5.632 -11.115 7.738) 14.668 11.566 ( 0.643 0.690 -6.500) 6.568 11.638 ( 0.529 6.982 1.953) 7.270 11.773 ( 4.053 4.102 0.301) 5.775 12.029 ( 0.039 -6.418 -3.416) 7.270 12.134 ( 4.747 0.038 0.183) 4.751 12.322 ( -1.139 5.864 1.081) 6.071 12.432 ( 0.456 3.869 -6.219) 7.338 12.669 ( -2.675 8.133 -7.359) 11.289 12.836 ( 5.925 -3.022 4.209) 7.871 13.135 ( 1.514 -11.518 -12.456) 17.032 16.386 ( 2.152 -0.029 3.562) 4.162 16.477 ( 0.827 -1.491 1.427) 2.223 17.211 ( -0.901 0.249 -4.510) 4.606 17.347 ( -7.345 -1.512 -7.704) 10.751 17.622 ( -5.143 11.878 5.047) 13.893 17.851 ( -4.461 8.816 -8.756) 13.201 19.586 ( 5.669 -5.305 18.719) 20.265 20.113 ( -2.576 -10.336 -5.804) 12.131 ======================= Grid point 133 (52/215) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 9.460 2.624 9.753) 13.839 2.477 ( 6.884 2.961 -12.723) 14.766 2.704 ( 2.291 11.532 2.481) 12.017 2.712 ( 1.965 11.463 1.360) 11.709 2.845 ( 0.149 5.734 -3.900) 6.936 3.184 ( -2.506 2.435 1.776) 3.920 3.330 ( -8.806 2.704 -0.045) 9.211 3.420 ( -2.929 1.779 -1.501) 3.741 3.733 ( -0.632 0.238 1.586) 1.724 3.873 ( 2.946 -5.724 -3.098) 7.144 4.276 ( 5.774 -0.217 -8.085) 9.938 4.320 ( -5.785 -5.996 -0.877) 8.377 4.437 ( 4.829 -3.257 6.523) 8.745 4.649 ( 8.584 -0.287 9.733) 12.980 4.883 ( -1.844 3.174 0.656) 3.729 5.127 ( -3.440 -2.336 -0.651) 4.209 5.136 ( -1.385 0.964 3.334) 3.737 5.323 ( 7.834 -0.212 2.924) 8.364 5.390 ( 8.242 2.318 -6.273) 10.614 5.517 ( -9.205 4.327 -4.535) 11.137 5.706 ( -3.543 0.595 -0.705) 3.661 6.075 ( -0.594 -1.794 5.301) 5.628 6.258 ( 0.583 7.836 -0.756) 7.894 6.608 ( -0.681 2.533 -2.965) 3.959 6.738 ( -11.035 1.419 -5.183) 12.274 6.817 ( 0.593 -0.906 3.835) 3.985 7.198 ( 0.398 0.814 -0.689) 1.138 7.524 ( 4.451 -2.257 5.865) 7.701 7.721 ( 2.998 -1.923 -2.059) 4.114 7.884 ( 6.508 -1.703 1.603) 6.915 8.988 ( -5.488 -3.971 -4.456) 8.108 9.137 ( -4.194 -0.203 -3.182) 5.268 9.246 ( 0.401 -0.897 3.437) 3.574 9.333 ( -4.056 -3.516 1.302) 5.524 9.640 ( -2.251 -1.095 -0.256) 2.516 9.778 ( -2.504 -0.743 -0.673) 2.697 9.905 ( 1.628 -2.575 1.161) 3.260 9.987 ( -2.998 0.483 -2.017) 3.645 10.419 ( 4.463 -5.701 0.534) 7.260 10.489 ( 4.700 -3.964 -1.611) 6.356 11.016 ( 12.985 2.301 15.460) 20.320 11.312 ( -3.884 -7.882 10.097) 13.385 11.484 ( 0.013 1.722 -7.388) 7.586 11.654 ( -0.049 4.656 -0.743) 4.716 11.835 ( 3.862 1.276 -4.010) 5.712 11.973 ( -0.568 -0.921 -3.112) 3.295 12.150 ( -0.810 -3.641 -3.048) 4.817 12.321 ( -1.786 2.973 2.275) 4.147 12.367 ( 1.757 2.845 -5.850) 6.738 12.615 ( 1.750 13.948 -0.058) 14.057 12.976 ( 4.207 -2.148 4.403) 6.458 13.073 ( 3.484 -9.463 -6.239) 11.858 16.450 ( 1.811 -1.843 1.888) 3.200 16.508 ( 1.809 -2.322 -0.143) 2.947 17.154 ( -1.981 4.076 -1.255) 4.703 17.208 ( -1.573 0.013 -3.177) 3.545 17.572 ( -8.493 15.796 4.462) 18.482 17.659 ( -7.218 10.473 -5.632) 13.910 19.847 ( 4.432 -9.446 11.778) 15.735 20.017 ( -0.371 -11.571 -6.960) 13.508 ======================= Grid point 134 (53/215) ======================= q-point: ( 0.42 0.11 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 9.740 5.173 -6.017) 12.563 2.590 ( 3.319 6.847 0.390) 7.619 2.703 ( 7.420 6.706 -1.399) 10.099 2.764 ( -0.897 6.317 -0.002) 6.381 2.948 ( 1.853 9.619 12.718) 16.053 3.081 ( -9.359 0.743 0.358) 9.396 3.168 ( -10.724 6.298 0.439) 12.445 3.396 ( -1.594 1.729 1.533) 2.807 3.760 ( 1.388 2.956 0.881) 3.382 3.893 ( 3.138 -6.310 -2.943) 7.637 4.183 ( -2.108 -9.469 -3.988) 10.489 4.313 ( 4.158 1.951 -6.045) 7.592 4.566 ( 2.831 -2.422 4.263) 5.661 4.783 ( 1.191 -4.773 1.484) 5.139 4.845 ( -3.715 1.396 -1.736) 4.332 5.080 ( -0.945 -0.702 0.037) 1.177 5.150 ( -1.201 0.617 5.423) 5.589 5.330 ( -5.491 7.573 -0.168) 9.356 5.466 ( 4.776 5.106 -3.972) 8.041 5.528 ( 8.624 0.194 2.309) 8.930 5.693 ( 3.278 -1.423 -2.122) 4.156 6.145 ( 1.433 -1.393 -2.028) 2.847 6.231 ( 1.307 4.561 0.748) 4.803 6.532 ( -7.880 2.483 -2.836) 8.735 6.572 ( -1.885 3.546 -0.508) 4.048 6.856 ( -1.391 -2.723 4.637) 5.555 7.185 ( -0.767 2.318 -0.375) 2.471 7.609 ( 1.147 -3.837 -0.931) 4.111 7.754 ( 3.304 -2.755 -0.866) 4.388 7.980 ( 3.878 -2.538 -0.264) 4.642 8.862 ( -4.168 -2.040 -2.024) 5.063 9.063 ( -3.349 2.334 1.875) 4.492 9.240 ( -1.696 -2.610 -1.278) 3.365 9.346 ( -1.286 0.530 6.862) 7.002 9.585 ( -2.894 0.074 -0.734) 2.986 9.768 ( 2.338 -4.807 -1.761) 5.628 9.932 ( -0.899 0.850 1.220) 1.737 9.963 ( 1.787 -6.935 0.202) 7.165 10.456 ( 2.410 -9.027 -3.570) 10.002 10.500 ( 1.913 -8.081 -5.002) 9.694 11.207 ( -1.140 -2.485 -2.276) 3.558 11.345 ( -3.074 -3.646 0.083) 4.770 11.477 ( 2.843 5.209 4.461) 7.424 11.644 ( 2.175 0.434 -1.754) 2.828 11.823 ( 2.880 1.812 -2.998) 4.536 11.941 ( -1.952 1.518 1.680) 2.989 12.101 ( 0.203 -2.962 -3.718) 4.758 12.334 ( 2.550 5.569 -0.146) 6.127 12.361 ( 1.183 1.650 -0.546) 2.103 12.684 ( 0.467 12.795 6.791) 14.493 13.043 ( 1.718 -4.673 0.096) 4.980 13.102 ( 2.733 -4.474 0.934) 5.325 16.480 ( 0.910 -4.060 -0.461) 4.186 16.515 ( 1.079 -3.027 -3.281) 4.593 17.162 ( 2.259 11.695 2.959) 12.273 17.192 ( -0.535 4.408 0.923) 4.535 17.448 ( -7.680 11.225 2.308) 13.795 17.568 ( -5.002 10.301 4.556) 12.324 19.944 ( 2.318 -12.323 -6.534) 14.139 19.969 ( -0.519 -11.205 1.527) 11.320 ======================= Grid point 135 (54/215) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 1.001 5.228 0.150) 5.325 2.633 ( 1.572 6.398 -2.138) 6.927 2.759 ( 0.010 5.273 1.963) 5.627 2.810 ( 2.666 10.156 -1.732) 10.641 2.938 ( -7.424 1.692 9.356) 12.063 3.061 ( 0.837 6.908 4.130) 8.092 3.151 ( 3.539 4.376 8.160) 9.912 3.373 ( -2.590 2.278 0.350) 3.466 3.775 ( -0.774 3.029 0.610) 3.185 3.900 ( 2.264 -7.410 -3.148) 8.363 4.134 ( 1.566 -8.463 -5.680) 10.312 4.308 ( 3.663 1.820 -4.865) 6.356 4.559 ( -4.183 -0.237 -2.900) 5.096 4.698 ( -4.673 1.915 -10.835) 11.954 4.844 ( 1.867 -6.531 6.281) 9.252 5.100 ( -0.334 0.382 4.175) 4.205 5.207 ( -3.241 0.968 6.110) 6.984 5.312 ( 3.152 6.752 3.289) 8.145 5.506 ( 3.788 6.637 -0.676) 7.671 5.583 ( -3.279 -0.202 -1.308) 3.536 5.718 ( 2.455 -2.500 -3.562) 4.996 5.983 ( -4.420 0.189 -11.059) 11.911 6.384 ( -4.907 2.576 1.749) 5.811 6.453 ( 9.529 0.667 5.481) 11.013 6.549 ( 1.178 6.045 -1.784) 6.412 6.887 ( -1.523 -3.031 5.403) 6.380 7.175 ( 0.153 2.648 -0.152) 2.657 7.537 ( -3.428 -3.397 -7.736) 9.118 7.787 ( 1.107 -1.631 -0.515) 2.037 7.981 ( -1.318 -2.318 -3.321) 4.259 8.857 ( 3.413 -3.319 2.985) 5.619 9.078 ( 0.322 0.926 4.343) 4.453 9.200 ( -1.338 -4.676 -0.870) 4.941 9.402 ( -2.253 3.224 7.062) 8.083 9.550 ( 0.250 -0.775 -1.352) 1.578 9.799 ( 2.937 -4.825 -0.610) 5.681 9.952 ( -0.347 1.591 3.489) 3.851 9.977 ( -0.386 -7.669 0.045) 7.679 10.419 ( 0.782 -9.265 -7.350) 11.852 10.458 ( 1.125 -9.104 -6.440) 11.208 11.083 ( -3.216 -6.451 -9.251) 11.728 11.174 ( -7.492 -8.655 -12.109) 16.663 11.534 ( -1.528 6.449 3.725) 7.603 11.675 ( 3.390 6.832 -1.829) 7.843 11.890 ( 2.381 1.977 -0.015) 3.094 11.970 ( 1.206 0.835 4.596) 4.824 12.092 ( 2.244 -2.280 0.468) 3.234 12.369 ( -1.703 2.496 3.795) 4.851 12.410 ( 6.248 5.708 0.739) 8.495 12.750 ( -3.986 11.707 9.268) 15.455 13.043 ( -1.395 -2.198 -1.367) 2.940 13.160 ( 2.338 -4.535 2.869) 5.854 16.464 ( -1.110 -4.776 -2.551) 5.527 16.478 ( 0.875 -2.945 -4.894) 5.779 17.172 ( -1.745 11.810 1.410) 12.022 17.265 ( 5.252 14.786 0.992) 15.722 17.462 ( -2.899 3.928 13.677) 14.522 17.599 ( 0.413 7.414 9.343) 11.934 19.890 ( -6.645 -11.504 -6.214) 14.667 19.916 ( 5.187 -12.361 -8.240) 15.735 ======================= Grid point 136 (55/215) ======================= q-point: (-0.42 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -11.420 6.650 -8.718) 15.831 2.507 ( -17.185 11.384 0.586) 20.622 2.804 ( 6.196 4.609 2.884) 8.243 2.855 ( 3.009 5.436 7.409) 9.669 3.073 ( -2.500 -0.580 7.523) 7.948 3.220 ( 11.070 2.768 8.550) 14.258 3.254 ( -0.788 4.411 4.293) 6.205 3.395 ( 6.711 3.404 3.085) 8.133 3.751 ( -3.327 1.947 1.355) 4.086 3.901 ( 1.822 -7.740 -2.539) 8.347 4.086 ( 3.867 -5.780 -10.333) 12.455 4.316 ( 0.455 3.823 -8.638) 9.457 4.433 ( -3.758 -1.481 -2.274) 4.635 4.481 ( -6.625 3.239 -9.134) 11.739 4.943 ( 0.621 -1.941 7.091) 7.378 5.137 ( -1.118 -1.229 3.512) 3.885 5.172 ( -5.865 4.572 2.166) 7.746 5.408 ( -10.824 -0.478 -2.390) 11.095 5.479 ( 9.084 1.131 4.113) 10.036 5.576 ( 4.312 4.741 1.353) 6.550 5.671 ( -3.023 -1.578 -3.603) 4.961 5.855 ( 1.388 -0.448 -7.638) 7.776 6.328 ( -2.146 2.717 1.867) 3.934 6.507 ( 0.730 7.096 -2.459) 7.546 6.753 ( 12.425 0.788 5.716) 13.700 6.928 ( -2.032 -1.627 6.459) 6.964 7.191 ( 1.901 1.853 0.398) 2.684 7.358 ( -4.900 -0.721 -10.222) 11.359 7.774 ( -1.445 -0.829 -0.870) 1.879 7.887 ( -4.008 -1.029 -4.544) 6.146 9.014 ( 8.218 -5.681 5.977) 11.642 9.105 ( -0.947 -2.633 -1.267) 3.071 9.222 ( 3.312 -6.158 3.235) 7.704 9.421 ( -3.093 2.584 4.455) 6.007 9.558 ( 2.490 -2.569 -1.823) 4.015 9.821 ( -0.806 -3.453 -0.216) 3.552 9.967 ( -1.265 -2.942 3.866) 5.020 9.993 ( -0.046 1.229 2.068) 2.406 10.319 ( -1.971 -4.123 -8.431) 9.590 10.391 ( 0.675 -6.671 -8.292) 10.664 10.880 ( -9.847 -8.859 -9.944) 16.563 10.976 ( 0.602 -15.273 -9.068) 17.772 11.553 ( 0.882 5.905 0.577) 5.998 11.673 ( -0.676 10.747 -1.918) 10.938 11.874 ( -0.276 -2.257 -3.553) 4.218 12.013 ( -0.760 5.507 0.558) 5.587 12.179 ( 4.016 -2.934 4.273) 6.557 12.390 ( -0.547 1.836 3.736) 4.199 12.559 ( 4.877 5.890 7.871) 10.974 12.758 ( -7.086 11.142 8.331) 15.613 12.966 ( -3.833 0.961 -4.367) 5.890 13.246 ( 3.049 -6.499 4.949) 8.719 16.401 ( -2.057 -3.541 -3.712) 5.527 16.435 ( 0.216 -2.447 -4.251) 4.910 17.211 ( 3.585 10.191 3.416) 11.331 17.334 ( 4.591 14.884 -1.643) 15.662 17.589 ( -4.214 3.119 17.913) 18.664 17.802 ( 7.271 5.176 14.007) 16.609 19.626 ( -12.059 -10.519 -13.742) 21.093 19.927 ( 7.519 -12.365 -8.023) 16.547 ======================= Grid point 137 (56/215) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -16.910 13.099 -12.517) 24.782 2.201 ( -23.682 10.952 2.564) 26.217 2.931 ( 4.912 5.566 0.730) 7.459 2.993 ( 0.536 0.806 5.542) 5.626 3.083 ( -1.775 0.401 3.010) 3.518 3.216 ( -1.272 3.201 7.511) 8.263 3.527 ( 3.467 0.442 3.084) 4.662 3.575 ( 11.786 -4.289 4.851) 13.447 3.695 ( -9.214 0.192 -0.545) 9.232 3.848 ( -9.262 8.419 -4.197) 13.202 3.991 ( -5.559 -4.264 -5.423) 8.859 4.084 ( 7.020 -1.730 -10.630) 12.855 4.282 ( -5.622 3.470 -6.614) 9.349 4.555 ( 10.345 -1.800 3.452) 11.054 5.006 ( -2.415 3.960 3.803) 5.998 5.069 ( -6.033 2.248 0.815) 6.490 5.150 ( 0.459 -2.242 1.935) 2.997 5.320 ( 0.502 0.319 1.501) 1.615 5.511 ( -8.574 -0.623 -1.395) 8.709 5.651 ( 6.075 0.534 -1.608) 6.307 5.730 ( 11.415 -0.298 2.292) 11.647 5.843 ( 5.089 -0.001 -3.596) 6.232 6.336 ( -0.222 1.128 0.970) 1.504 6.509 ( -0.080 7.450 2.674) 7.915 6.897 ( -1.662 -1.441 -0.041) 2.200 6.965 ( 1.373 1.559 2.116) 2.965 7.185 ( 1.544 0.733 -8.346) 8.520 7.301 ( 3.693 2.990 7.241) 8.661 7.722 ( -3.454 -1.321 -2.330) 4.371 7.785 ( -2.950 1.200 -2.081) 3.804 9.047 ( -2.387 -3.997 -2.932) 5.502 9.165 ( 0.837 -5.642 2.877) 6.388 9.303 ( 1.743 -5.949 0.513) 6.220 9.460 ( 5.825 -2.104 3.106) 6.928 9.582 ( 3.656 -3.793 -2.232) 5.721 9.781 ( -3.406 0.242 0.285) 3.427 9.967 ( -3.961 -0.096 -0.716) 4.026 10.014 ( 0.009 -1.356 4.139) 4.356 10.218 ( -0.373 2.140 -4.025) 4.574 10.293 ( -1.286 -3.057 -7.900) 8.568 10.626 ( -12.079 -2.995 -3.893) 13.040 10.942 ( 5.600 -21.965 -6.225) 23.506 11.564 ( 1.727 7.359 -2.484) 7.956 11.654 ( 0.285 3.931 0.575) 3.983 11.814 ( -1.922 0.065 -3.832) 4.288 11.962 ( -4.984 6.941 -0.953) 8.598 12.280 ( 2.740 -2.797 2.391) 4.588 12.431 ( -0.805 0.761 4.501) 4.635 12.648 ( -7.632 9.970 8.167) 14.978 12.756 ( 1.637 3.577 0.889) 4.033 12.856 ( -2.900 5.014 -2.867) 6.463 13.375 ( 5.228 -9.797 6.820) 13.032 16.318 ( -2.802 -1.887 -3.901) 5.160 16.403 ( 0.686 -1.658 -2.439) 3.028 17.333 ( 7.076 11.071 0.246) 13.141 17.406 ( 5.089 12.344 2.664) 13.615 17.721 ( -3.398 2.800 16.720) 17.290 18.089 ( 6.592 2.213 16.019) 17.463 19.222 ( -14.860 -8.693 -19.070) 25.692 19.972 ( 8.624 -12.413 -7.060) 16.683 ======================= Grid point 138 (57/215) ======================= q-point: (-0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -19.685 18.152 -11.217) 29.032 1.814 ( -28.176 13.932 2.517) 31.533 2.868 ( -9.891 4.095 -5.074) 11.846 2.993 ( -21.008 6.495 -10.000) 24.156 3.068 ( -8.448 4.166 -0.642) 9.441 3.115 ( -6.787 0.557 -0.733) 6.849 3.397 ( 4.893 1.071 11.145) 12.218 3.596 ( -0.893 2.931 -1.885) 3.598 3.666 ( 0.285 4.227 1.365) 4.451 3.812 ( -0.623 -3.260 -1.679) 3.719 4.012 ( 2.055 -6.789 0.469) 7.109 4.168 ( 0.190 1.183 -0.976) 1.545 4.255 ( 17.495 -2.212 2.648) 17.832 4.781 ( 12.879 -2.270 2.056) 13.238 4.925 ( -5.754 7.143 -0.239) 9.175 5.063 ( -0.795 -3.919 2.171) 4.550 5.208 ( 0.845 1.379 2.840) 3.268 5.330 ( -3.620 0.768 -2.458) 4.443 5.421 ( 4.341 2.908 1.263) 5.375 5.726 ( 6.968 -2.793 -3.200) 8.160 5.903 ( 7.522 -2.799 -0.320) 8.032 5.942 ( 8.012 -0.130 1.594) 8.170 6.328 ( 1.358 0.397 -2.739) 3.083 6.560 ( -1.662 5.855 7.990) 10.044 6.808 ( -6.216 -0.626 -0.004) 6.247 6.963 ( 0.076 1.541 -3.827) 4.126 7.162 ( 2.343 2.894 -3.610) 5.186 7.477 ( 4.503 2.322 9.080) 10.398 7.619 ( -5.001 -0.167 -2.725) 5.698 7.749 ( -0.766 1.552 -0.157) 1.738 8.973 ( -1.978 -2.987 -3.616) 5.090 9.114 ( -5.715 -0.456 -1.386) 5.898 9.278 ( -1.908 -7.614 -2.506) 8.240 9.586 ( -0.708 -5.135 -1.889) 5.517 9.633 ( 4.889 -3.518 0.310) 6.031 9.752 ( 1.902 3.682 2.671) 4.930 9.906 ( -1.144 -0.310 0.871) 1.471 10.060 ( 2.378 -0.741 -1.071) 2.711 10.149 ( -2.511 -1.479 -5.505) 6.229 10.235 ( -1.852 1.888 2.731) 3.801 10.414 ( -11.313 4.646 -0.120) 12.230 11.016 ( 9.059 -22.314 -0.928) 24.100 11.566 ( 0.078 7.491 0.741) 7.528 11.692 ( 4.174 -1.209 -1.741) 4.681 11.743 ( -2.212 -0.121 -1.726) 2.809 11.849 ( -5.953 6.502 -2.715) 9.225 12.273 ( -4.683 2.082 -1.468) 5.331 12.424 ( -8.668 0.536 7.134) 11.239 12.590 ( -2.837 6.283 -1.234) 7.003 12.750 ( 0.770 1.364 -2.777) 3.189 12.858 ( 2.685 4.230 0.099) 5.011 13.559 ( 7.689 -12.434 6.844) 16.142 16.236 ( -2.534 -0.308 -2.886) 3.853 16.401 ( 1.121 -1.000 -0.856) 1.729 17.416 ( 5.843 11.968 -2.527) 13.556 17.534 ( 3.195 9.909 5.019) 11.558 17.867 ( 1.377 5.263 12.773) 13.883 18.329 ( -2.765 -3.611 17.781) 18.353 18.778 ( -8.898 -5.574 -21.958) 24.339 20.038 ( 8.123 -12.057 -5.237) 15.453 ======================= Grid point 139 (58/215) ======================= q-point: (-0.17 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -20.473 22.875 -4.745) 31.063 1.384 ( -28.204 20.237 1.400) 34.742 2.131 ( -45.815 23.249 -9.185) 52.191 2.755 ( -6.657 4.227 -1.827) 8.094 3.065 ( -2.365 -0.404 3.641) 4.361 3.114 ( -2.187 -2.961 2.274) 4.327 3.465 ( -7.460 2.685 -0.616) 7.953 3.555 ( 1.741 7.024 -1.172) 7.331 3.673 ( -1.571 4.833 3.567) 6.209 3.861 ( 11.672 -4.985 -5.270) 13.742 4.009 ( 2.783 -9.455 -4.214) 10.719 4.210 ( 2.207 2.220 2.518) 4.017 4.607 ( 15.990 -4.606 7.491) 18.248 4.848 ( -4.841 5.622 3.024) 8.012 4.970 ( 7.676 -3.179 -1.928) 8.529 5.061 ( 0.261 -7.483 -1.345) 7.607 5.168 ( -5.482 5.202 5.294) 9.227 5.329 ( 2.693 4.286 -1.956) 5.426 5.558 ( 11.662 1.040 -1.739) 11.837 5.801 ( 6.916 -3.203 -3.815) 8.523 5.967 ( -0.141 -3.410 0.019) 3.413 6.072 ( 6.180 -3.873 2.068) 7.581 6.362 ( 7.340 -1.216 -2.813) 7.954 6.622 ( -2.184 5.820 8.608) 10.617 6.728 ( -4.156 -1.292 0.023) 4.352 6.912 ( -1.608 2.153 -1.986) 3.341 7.144 ( -0.289 5.023 -2.619) 5.673 7.517 ( -4.235 0.438 -1.120) 4.402 7.601 ( -0.039 0.120 4.069) 4.071 7.745 ( 0.154 0.933 0.009) 0.945 8.917 ( -0.674 -0.386 -2.194) 2.328 9.007 ( -4.130 3.181 -1.989) 5.580 9.236 ( -0.006 -4.775 -0.820) 4.845 9.466 ( -7.712 2.215 -2.490) 8.401 9.655 ( -0.178 -5.426 -0.418) 5.445 9.818 ( -5.045 4.048 2.196) 6.831 9.949 ( 3.649 2.291 1.025) 4.429 10.014 ( -0.446 -2.377 -1.949) 3.106 10.143 ( 5.111 -2.699 -2.074) 6.141 10.233 ( -3.387 -1.094 3.120) 4.733 10.280 ( -5.507 4.924 -0.099) 7.388 11.226 ( 12.760 -14.936 8.253) 21.307 11.576 ( -1.339 4.704 2.129) 5.334 11.684 ( 0.563 0.719 -2.954) 3.092 11.707 ( -2.703 3.185 -4.701) 6.289 11.786 ( 1.526 -1.752 1.604) 2.823 12.141 ( -6.935 6.256 -2.456) 9.658 12.356 ( -7.723 0.160 5.963) 9.759 12.506 ( -4.546 2.357 -3.540) 6.225 12.706 ( -2.764 2.832 -4.484) 5.981 12.919 ( 6.968 -0.675 -3.244) 7.716 13.743 ( 7.838 -13.521 2.674) 15.856 16.181 ( -1.602 0.675 -0.762) 1.898 16.415 ( 1.051 -0.387 0.047) 1.121 17.465 ( 2.646 8.293 -1.360) 8.810 17.586 ( -0.348 7.777 0.009) 7.784 18.034 ( 5.505 9.926 5.602) 12.657 18.200 ( -18.912 -7.665 -3.077) 20.637 18.678 ( 6.874 -4.137 1.853) 8.234 20.116 ( 6.538 -9.531 -0.938) 11.595 ======================= Grid point 140 (59/215) ======================= q-point: (-0.08 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -18.259 25.552 7.066) 32.191 0.938 ( -24.766 26.253 -2.310) 36.165 1.558 ( -28.941 40.949 23.856) 55.530 2.664 ( -2.498 5.294 -0.644) 5.889 3.014 ( -6.320 1.843 -2.129) 6.919 3.117 ( -1.098 -6.815 4.244) 8.103 3.364 ( -2.037 2.315 1.121) 3.282 3.551 ( 2.128 6.698 -4.221) 8.198 3.691 ( -1.996 6.472 4.137) 7.936 3.983 ( 8.718 -8.239 -5.352) 13.135 4.048 ( 8.601 -3.177 -4.326) 10.138 4.261 ( 0.248 1.430 2.732) 3.094 4.795 ( -4.481 3.750 5.271) 7.870 4.896 ( 8.532 -4.087 0.418) 9.470 4.954 ( -1.110 -10.037 -3.997) 10.860 5.066 ( -0.449 0.227 0.027) 0.503 5.221 ( -0.254 0.807 4.944) 5.016 5.330 ( 4.977 4.079 -1.563) 6.622 5.707 ( 7.534 -0.680 -2.055) 7.838 5.844 ( 3.139 -1.421 -3.771) 5.108 5.926 ( -3.478 -4.159 0.956) 5.505 6.174 ( 4.181 -7.671 0.036) 8.737 6.461 ( 6.657 -3.544 -1.209) 7.639 6.664 ( 0.478 3.850 -1.684) 4.229 6.698 ( -1.533 0.522 6.513) 6.711 6.873 ( -2.249 0.662 -0.372) 2.374 7.120 ( 1.498 7.739 -1.569) 8.037 7.463 ( -2.442 0.051 1.006) 2.641 7.531 ( -9.250 -3.236 -3.599) 10.439 7.748 ( 0.627 0.447 -0.841) 1.140 8.884 ( -2.964 2.101 0.845) 3.730 9.003 ( 6.014 5.716 0.028) 8.297 9.279 ( 3.587 1.652 4.121) 5.708 9.338 ( -4.689 3.010 -0.974) 5.656 9.650 ( 0.703 -2.412 -0.701) 2.609 9.662 ( -15.104 7.645 4.474) 17.509 10.006 ( 1.137 -0.076 1.680) 2.030 10.027 ( 2.336 -3.392 -1.838) 4.510 10.166 ( -1.223 0.569 -4.271) 4.479 10.192 ( -4.164 0.678 -3.015) 5.186 10.229 ( 2.190 -1.824 0.625) 2.917 11.529 ( 2.538 -6.003 5.218) 8.349 11.579 ( 1.800 -2.011 -1.096) 2.913 11.652 ( 5.698 4.198 2.971) 7.675 11.696 ( 3.535 2.033 -1.423) 4.319 11.823 ( -1.571 -2.715 5.592) 6.412 12.042 ( -2.323 8.818 -2.640) 9.493 12.321 ( -1.702 -2.093 -4.068) 4.881 12.439 ( 0.511 0.616 7.725) 7.766 12.543 ( -9.798 2.892 -5.582) 11.641 12.983 ( 5.991 -1.569 -4.670) 7.756 13.837 ( 4.751 -13.524 -4.878) 15.141 16.169 ( -0.722 1.029 1.679) 2.097 16.432 ( 0.636 0.114 0.518) 0.829 17.454 ( -4.163 -0.455 0.647) 4.238 17.524 ( -0.257 6.347 -8.372) 10.509 17.908 ( -9.263 -6.459 -5.641) 12.623 18.112 ( 2.751 11.611 -5.481) 13.132 18.827 ( 1.526 -4.566 11.003) 12.010 20.253 ( 6.792 -5.012 6.602) 10.716 ======================= Grid point 141 (60/215) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.089 22.994 14.970) 27.438 1.481 ( 1.877 32.312 -1.481) 32.400 2.608 ( 0.095 37.001 27.221) 45.935 2.806 ( 0.461 6.522 -1.714) 6.759 2.918 ( 0.072 1.294 -1.485) 1.971 3.001 ( -0.832 -4.901 3.678) 6.184 3.365 ( -0.978 -0.268 -2.223) 2.444 3.601 ( 1.894 1.126 -2.723) 3.503 3.775 ( 2.732 -5.887 -14.952) 16.300 3.976 ( -1.448 10.907 0.363) 11.008 4.015 ( -0.253 -7.511 1.105) 7.596 4.247 ( -1.623 -2.907 -1.279) 3.566 4.657 ( -1.690 -5.951 0.629) 6.218 4.816 ( -2.974 -2.175 -3.014) 4.760 4.951 ( 2.883 2.121 2.176) 4.189 5.076 ( -4.593 -1.417 -5.241) 7.111 5.094 ( -1.177 1.577 4.372) 4.794 5.518 ( 5.035 -2.534 6.834) 8.858 5.723 ( 2.851 -1.417 -4.836) 5.790 5.814 ( -6.341 3.775 0.283) 7.385 5.878 ( 4.770 -2.590 0.439) 5.445 6.050 ( 0.642 -5.640 -0.930) 5.752 6.368 ( 0.879 -7.687 -0.436) 7.750 6.664 ( -1.731 0.229 0.757) 1.903 6.750 ( -5.485 -0.149 -2.913) 6.212 6.852 ( 6.121 1.714 0.407) 6.369 7.272 ( 2.718 5.495 -0.792) 6.181 7.354 ( -3.740 0.204 -1.495) 4.033 7.503 ( -0.164 2.736 3.750) 4.645 7.752 ( -0.829 0.151 0.060) 0.845 8.932 ( -0.723 4.572 -0.946) 4.724 9.259 ( 5.332 4.475 6.795) 9.728 9.343 ( -2.413 2.782 1.431) 3.951 9.549 ( -4.778 3.936 3.014) 6.885 9.604 ( 2.922 3.346 2.226) 4.969 9.765 ( 7.391 1.197 0.208) 7.490 9.916 ( -2.600 -7.248 -1.244) 7.800 9.937 ( -3.725 -5.033 5.622) 8.415 10.027 ( -3.182 -0.866 -2.843) 4.354 10.151 ( 3.402 -0.930 -4.778) 5.938 10.388 ( -0.776 13.096 4.508) 13.872 11.470 ( -9.006 -2.544 1.020) 9.414 11.555 ( 6.103 -0.679 1.713) 6.375 11.731 ( -6.357 3.292 -1.304) 7.276 11.769 ( 0.653 -3.347 1.633) 3.781 11.884 ( 5.967 1.688 7.709) 9.894 12.137 ( 0.851 7.885 -9.920) 12.700 12.264 ( -2.296 -1.850 -3.284) 4.413 12.431 ( -0.070 5.962 -3.653) 6.993 12.625 ( 5.979 0.631 5.739) 8.312 12.961 ( 2.939 -1.614 -4.622) 5.710 13.427 ( -2.863 -18.864 -8.297) 20.806 16.234 ( 0.236 2.950 3.211) 4.367 16.452 ( -0.472 0.388 1.241) 1.383 17.298 ( 1.383 -6.653 2.392) 7.204 17.550 ( 0.678 4.467 -11.039) 11.928 17.652 ( 2.262 -8.933 -2.611) 9.578 18.191 ( -2.471 4.482 -19.197) 19.868 19.013 ( -1.007 7.234 22.104) 23.280 20.263 ( -1.297 -6.102 4.180) 7.509 ======================= Grid point 142 (61/215) ======================= q-point: ( 0.08 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 10.739 24.438 7.860) 27.826 1.698 ( 16.603 15.773 19.190) 29.879 2.792 ( 3.745 2.314 -5.169) 6.789 2.899 ( 4.273 5.352 8.632) 11.019 3.046 ( 2.547 2.222 4.359) 5.516 3.054 ( 5.422 15.696 16.008) 23.066 3.278 ( -2.213 -0.668 -9.015) 9.307 3.546 ( 3.046 2.652 -16.469) 16.957 3.660 ( 1.423 -0.959 -1.506) 2.283 3.951 ( -1.825 0.724 -1.385) 2.403 3.988 ( -5.217 -1.487 4.263) 6.899 4.202 ( -2.095 -0.594 -1.097) 2.438 4.624 ( -6.077 -0.579 3.256) 6.918 4.705 ( -2.427 -2.852 -8.843) 9.603 4.993 ( -1.320 -2.254 2.511) 3.623 5.010 ( 0.500 6.839 0.065) 6.858 5.144 ( 2.580 1.928 2.311) 3.964 5.544 ( -6.672 -2.864 0.610) 7.286 5.654 ( -9.251 -0.087 -2.201) 9.510 5.807 ( 7.343 1.152 -1.284) 7.543 5.920 ( -0.597 -1.418 0.225) 1.555 6.023 ( -2.550 -3.687 0.254) 4.490 6.376 ( -0.647 -8.551 1.146) 8.651 6.610 ( -0.055 -2.874 -3.744) 4.721 6.698 ( -1.838 3.623 2.812) 4.941 6.969 ( 7.097 4.072 0.423) 8.193 7.297 ( -1.147 1.121 -1.900) 2.486 7.328 ( 3.320 2.680 -1.118) 4.410 7.550 ( 1.437 2.350 2.944) 4.031 7.735 ( -0.729 0.652 -0.620) 1.159 8.933 ( 0.684 1.574 1.541) 2.307 9.303 ( -4.317 4.044 0.387) 5.928 9.331 ( -7.482 0.344 3.097) 8.105 9.507 ( -0.070 0.592 6.412) 6.439 9.678 ( 3.023 1.524 -3.323) 4.743 9.776 ( -5.944 -2.938 -0.426) 6.644 9.904 ( -1.567 -2.721 3.431) 4.651 9.954 ( 7.242 -2.084 3.120) 8.156 10.088 ( 4.910 -3.357 4.008) 7.172 10.157 ( 2.734 2.247 -3.013) 4.648 10.441 ( 1.321 13.718 4.244) 14.420 11.285 ( -18.647 -8.186 5.733) 21.157 11.604 ( -0.798 3.824 -2.738) 4.771 11.675 ( 3.567 4.304 1.723) 5.850 11.811 ( 1.999 -2.972 2.242) 4.226 12.013 ( -5.493 2.727 3.564) 7.093 12.123 ( 5.775 3.633 -6.005) 9.089 12.156 ( 4.778 1.823 0.982) 5.207 12.506 ( 9.949 6.755 -4.394) 12.804 12.723 ( 2.759 -0.190 -1.780) 3.289 12.936 ( 0.481 0.390 -4.431) 4.475 13.228 ( -5.946 -17.863 -13.249) 23.021 16.281 ( 0.256 2.655 4.373) 5.122 16.448 ( -1.520 0.013 1.347) 2.031 17.385 ( 4.163 0.338 -7.641) 8.708 17.504 ( 7.539 -2.441 0.873) 7.972 17.703 ( 4.926 -10.667 -5.591) 13.011 17.945 ( 0.360 2.891 -15.579) 15.849 19.203 ( -5.732 8.351 21.891) 24.120 20.202 ( -9.115 -5.868 1.403) 10.930 ======================= Grid point 143 (62/215) ======================= q-point: ( 0.17 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 14.306 17.580 9.974) 24.763 2.216 ( 17.235 12.072 21.047) 29.762 2.802 ( 6.121 1.307 -9.845) 11.667 2.938 ( -1.732 -3.685 -6.480) 7.653 3.087 ( -1.041 -3.835 -3.754) 5.467 3.130 ( 3.479 2.625 3.014) 5.299 3.286 ( 6.258 5.684 -5.674) 10.181 3.549 ( 8.387 2.350 -2.299) 9.009 3.714 ( 0.204 2.830 3.954) 4.867 3.903 ( -1.040 -2.468 -0.627) 2.750 3.992 ( -0.600 13.240 8.855) 15.940 4.182 ( 0.283 -0.233 1.688) 1.727 4.526 ( -5.170 -3.730 -5.883) 8.675 4.567 ( -8.057 3.515 2.019) 9.019 5.004 ( 0.180 2.360 0.648) 2.454 5.044 ( 2.422 4.884 1.943) 5.788 5.207 ( 3.567 0.110 -1.858) 4.024 5.401 ( -8.076 0.338 -1.557) 8.231 5.457 ( -11.099 -0.355 -2.473) 11.377 5.864 ( 0.630 -1.845 -1.932) 2.745 5.868 ( -4.745 -1.896 -0.888) 5.186 6.001 ( -2.094 -1.404 2.165) 3.323 6.371 ( -1.272 -2.025 1.905) 3.057 6.638 ( 5.947 -2.697 -1.138) 6.628 6.711 ( -0.416 4.790 2.329) 5.343 7.073 ( 3.522 4.938 2.601) 6.600 7.221 ( -0.802 -1.509 -9.189) 9.347 7.354 ( -0.537 3.313 2.295) 4.066 7.623 ( 3.524 0.438 2.845) 4.551 7.721 ( 0.353 1.028 -1.223) 1.637 8.970 ( -0.507 -1.668 2.921) 3.402 9.199 ( -6.991 -2.551 1.407) 7.573 9.251 ( -2.712 0.516 -2.720) 3.876 9.469 ( -6.634 -3.501 -2.532) 7.917 9.641 ( 0.602 2.053 -2.098) 2.996 9.846 ( 2.138 -5.480 1.033) 5.972 9.937 ( -2.180 2.274 12.244) 12.643 10.029 ( -0.817 -7.777 2.925) 8.348 10.162 ( 3.819 -2.519 -4.036) 6.100 10.247 ( 5.793 4.935 5.282) 9.264 10.535 ( 3.927 12.486 6.346) 14.546 11.080 ( -17.061 -11.911 11.741) 23.892 11.590 ( 1.070 0.807 -1.109) 1.739 11.755 ( 2.763 6.280 0.677) 6.895 11.827 ( -0.674 -1.062 -0.864) 1.526 11.948 ( 0.298 1.878 -0.668) 2.015 12.137 ( 7.005 3.871 -7.054) 10.668 12.371 ( 7.533 3.109 8.056) 11.458 12.577 ( 5.793 8.025 -7.079) 12.168 12.703 ( 1.476 -1.291 -4.764) 5.151 12.892 ( 0.736 4.974 -4.480) 6.734 12.991 ( -3.044 -16.181 -13.531) 21.312 16.336 ( 0.210 1.618 4.578) 4.860 16.440 ( -1.500 -0.826 1.557) 2.315 17.311 ( 2.558 3.029 -10.506) 11.229 17.538 ( -5.202 -4.157 -14.699) 16.137 17.698 ( 7.462 -0.097 6.347) 9.797 17.974 ( 11.474 -0.186 -6.226) 13.056 19.335 ( -7.214 4.081 21.197) 22.760 20.039 ( -10.691 -8.251 -1.283) 13.565 ======================= Grid point 144 (63/215) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 13.854 12.359 9.015) 20.639 2.591 ( 5.871 6.389 -0.753) 8.709 2.753 ( 6.773 8.490 1.422) 10.954 2.904 ( 2.282 -0.987 -1.261) 2.788 3.028 ( -1.115 4.956 -6.250) 8.054 3.205 ( 3.059 -0.311 1.427) 3.390 3.354 ( 8.315 -2.038 -2.167) 8.831 3.551 ( -1.342 3.272 -7.155) 7.981 3.709 ( -3.598 0.273 2.171) 4.212 3.863 ( 0.149 -0.842 -2.884) 3.008 4.186 ( 4.531 3.502 6.940) 8.997 4.252 ( 2.656 -3.080 3.853) 5.602 4.377 ( -3.447 1.411 -3.908) 5.399 4.525 ( -3.056 7.426 8.750) 11.876 5.014 ( 1.102 5.734 -1.329) 5.988 5.118 ( 2.407 2.528 1.610) 3.844 5.158 ( -3.662 -1.379 -1.234) 4.103 5.290 ( -5.694 -0.826 -0.848) 5.815 5.354 ( 4.467 2.820 -2.732) 5.948 5.743 ( -8.128 -2.006 -3.427) 9.046 5.812 ( -3.147 0.156 -1.375) 3.438 6.003 ( -1.822 -1.258 3.780) 4.381 6.384 ( 0.109 3.488 1.756) 3.906 6.725 ( 2.437 -1.703 2.220) 3.710 6.726 ( 1.687 5.126 -1.516) 5.606 7.018 ( -8.004 2.683 -6.952) 10.936 7.185 ( 4.340 1.493 -0.758) 4.652 7.387 ( 0.585 0.571 4.606) 4.678 7.690 ( 0.638 -0.538 0.330) 0.897 7.741 ( 4.567 -0.755 0.145) 4.632 8.949 ( -3.545 -6.056 -0.592) 7.042 9.154 ( -1.415 -2.615 2.678) 4.002 9.193 ( -2.012 -0.784 -1.523) 2.642 9.336 ( -4.901 -3.550 -2.970) 6.741 9.645 ( 0.472 0.807 0.103) 0.941 9.807 ( -3.926 -3.678 -1.512) 5.588 9.920 ( -7.136 -3.097 1.605) 7.943 10.082 ( -3.453 0.438 1.512) 3.795 10.193 ( 3.581 -8.115 1.560) 9.006 10.349 ( 0.805 -2.686 2.571) 3.804 10.753 ( 9.107 8.309 15.032) 19.441 11.046 ( -7.184 -9.484 16.429) 20.285 11.561 ( -0.874 -1.521 -4.805) 5.115 11.775 ( 1.106 2.755 0.003) 2.968 11.863 ( 5.873 4.213 -4.249) 8.385 11.946 ( 0.723 1.414 -0.709) 1.739 12.156 ( 3.313 1.430 -6.502) 7.436 12.456 ( -1.365 4.402 -1.261) 4.778 12.528 ( 1.019 7.195 -9.052) 11.608 12.768 ( 7.178 -3.231 4.025) 8.842 12.856 ( 0.570 1.335 -1.923) 2.409 12.892 ( 6.274 -1.788 -10.313) 12.204 16.385 ( -0.199 -0.126 3.754) 3.762 16.438 ( -0.745 -2.039 1.390) 2.578 17.255 ( 3.015 3.675 -7.292) 8.705 17.333 ( -1.360 0.713 -10.570) 10.681 17.845 ( 1.087 7.695 7.409) 10.737 18.032 ( 4.158 6.555 -7.696) 10.931 19.463 ( -4.206 -5.403 18.093) 19.346 19.854 ( -8.371 -13.015 -4.048) 15.995 ======================= Grid point 145 (64/215) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 11.168 8.192 1.152) 13.898 2.586 ( 8.272 7.284 -5.038) 12.118 2.890 ( -1.910 6.489 -2.405) 7.179 2.910 ( 0.993 3.963 2.435) 4.756 3.014 ( 4.090 10.561 4.143) 12.060 3.223 ( -2.603 0.453 -1.297) 2.944 3.415 ( -2.851 -1.111 -1.732) 3.516 3.455 ( -0.231 6.453 -2.605) 6.963 3.683 ( 2.393 -1.401 1.442) 3.126 3.872 ( 0.576 3.702 0.868) 3.845 4.137 ( -6.312 -6.396 -3.556) 9.664 4.329 ( 4.001 -0.765 -0.020) 4.073 4.391 ( 0.979 0.705 4.885) 5.032 4.634 ( 2.822 0.335 4.112) 4.999 4.987 ( -2.588 5.472 -0.200) 6.057 5.095 ( -0.316 -0.144 0.534) 0.636 5.166 ( -1.299 2.571 0.237) 2.891 5.337 ( 8.917 1.715 3.399) 9.696 5.424 ( 8.870 0.664 -4.369) 9.910 5.566 ( -8.441 0.654 -2.777) 8.910 5.755 ( -1.819 3.185 -1.446) 3.943 6.032 ( -0.263 -2.056 4.693) 5.130 6.400 ( -0.077 4.972 -0.332) 4.984 6.701 ( -2.732 5.447 -1.341) 6.240 6.750 ( -2.362 -2.358 -2.348) 4.081 6.806 ( -6.395 2.190 -3.123) 7.446 7.236 ( 1.277 3.062 1.233) 3.539 7.472 ( 2.312 -2.341 4.658) 5.703 7.683 ( 0.821 -1.326 -1.864) 2.431 7.832 ( 5.024 -3.266 1.066) 6.086 8.873 ( -3.479 -6.346 -2.326) 7.602 9.138 ( -3.598 -0.063 0.501) 3.633 9.207 ( 1.421 -3.739 5.789) 7.036 9.249 ( -1.647 -2.677 -4.213) 5.256 9.641 ( -0.472 -0.145 -1.348) 1.436 9.713 ( -5.513 -4.349 -1.215) 7.126 9.827 ( -6.173 -5.495 1.893) 8.479 9.997 ( -3.358 0.074 -3.129) 4.591 10.235 ( -0.414 -11.995 0.906) 12.037 10.340 ( -3.161 -8.958 0.303) 9.504 11.087 ( 7.332 2.297 12.101) 14.334 11.193 ( 2.373 -0.824 18.297) 18.469 11.490 ( -0.708 -1.800 -4.351) 4.762 11.714 ( 1.912 0.329 -12.668) 12.816 11.895 ( 3.235 6.333 -4.033) 8.175 11.998 ( 1.037 1.891 3.384) 4.013 12.080 ( -2.306 -3.037 -4.766) 6.104 12.414 ( 0.030 4.860 -1.436) 5.068 12.461 ( 2.694 6.170 -7.064) 9.758 12.873 ( 1.625 -1.425 3.569) 4.172 12.884 ( 4.987 4.578 -6.886) 9.656 12.963 ( 7.048 1.664 4.630) 8.595 16.406 ( -1.104 -2.271 1.870) 3.142 16.444 ( 0.235 -3.509 -0.018) 3.517 17.258 ( 4.191 5.948 -1.033) 7.349 17.277 ( 4.564 6.371 -4.952) 9.270 17.897 ( -4.953 14.309 7.797) 17.032 17.934 ( -4.785 13.550 -7.714) 16.309 19.588 ( -1.620 -14.405 11.123) 18.272 19.697 ( -3.927 -18.017 -5.946) 19.375 ======================= Grid point 146 (65/215) ======================= q-point: ( 0.42 0.22 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 7.674 8.113 -3.500) 11.703 2.737 ( 5.496 8.172 2.298) 10.113 2.870 ( 5.392 5.093 -5.491) 9.228 2.917 ( 0.255 7.524 1.360) 7.650 3.112 ( -2.657 3.709 -4.565) 6.454 3.141 ( -1.547 7.771 11.110) 13.646 3.300 ( -6.894 2.550 -1.796) 7.567 3.437 ( -2.507 3.366 2.653) 4.966 3.798 ( 5.071 0.986 3.204) 6.079 3.858 ( -1.869 2.791 -1.991) 3.904 4.024 ( -3.334 -2.876 -1.522) 4.658 4.348 ( 1.578 0.245 -3.657) 3.991 4.494 ( 4.423 -2.840 4.194) 6.725 4.655 ( -2.167 -4.952 0.765) 5.459 4.928 ( -2.088 3.353 -5.133) 6.477 5.119 ( 0.981 3.642 2.537) 4.545 5.166 ( -1.609 2.645 4.671) 5.604 5.443 ( -4.612 2.569 -0.074) 5.280 5.511 ( 8.807 -0.229 -1.896) 9.011 5.542 ( 8.579 0.301 -0.102) 8.585 5.721 ( -0.173 4.852 -2.090) 5.286 6.098 ( 2.374 -2.795 0.689) 3.732 6.333 ( -3.199 4.383 -3.138) 6.268 6.600 ( -7.795 2.716 1.913) 8.473 6.673 ( 0.547 5.650 -2.583) 6.236 6.783 ( -1.408 -3.159 2.819) 4.462 7.254 ( -0.676 4.234 1.113) 4.430 7.511 ( -0.317 -4.985 -1.234) 5.145 7.704 ( 2.341 -1.507 1.036) 2.970 7.906 ( 2.930 -4.457 0.048) 5.334 8.798 ( -1.941 -3.948 -2.478) 5.050 9.092 ( -4.119 -0.441 2.483) 4.830 9.177 ( -0.362 -3.394 -5.851) 6.774 9.314 ( 1.776 -3.891 7.263) 8.429 9.598 ( -0.497 -1.881 -4.187) 4.617 9.630 ( -2.708 -4.791 -0.813) 5.563 9.769 ( -3.316 -11.047 1.323) 11.609 9.956 ( -0.949 0.084 2.508) 2.683 10.213 ( -1.388 -12.904 -1.881) 13.114 10.283 ( -2.824 -10.366 -0.872) 10.779 11.140 ( -0.609 -3.916 -8.424) 9.309 11.304 ( -1.331 -0.541 -12.921) 13.001 11.567 ( 1.728 2.617 15.840) 16.147 11.679 ( 5.563 2.158 -2.130) 6.336 11.860 ( 1.953 1.854 -2.626) 3.761 11.977 ( -1.885 2.204 0.741) 2.993 12.083 ( 1.036 1.608 0.698) 2.036 12.429 ( -1.787 4.973 3.881) 6.556 12.469 ( 6.095 6.566 -3.170) 9.503 12.878 ( 5.185 -2.005 -6.636) 8.657 12.956 ( -1.221 5.697 8.382) 10.208 13.104 ( 3.225 3.858 5.811) 7.684 16.396 ( -1.175 -3.874 -0.221) 4.054 16.435 ( 0.321 -4.269 -2.468) 4.942 17.328 ( 5.346 8.961 -0.547) 10.449 17.387 ( 7.527 9.838 5.917) 13.728 17.749 ( -7.259 16.422 -5.658) 18.825 17.875 ( -8.037 17.117 7.575) 20.371 19.590 ( 0.907 -20.972 -6.836) 22.076 19.645 ( -2.854 -19.091 2.590) 19.476 ======================= Grid point 147 (66/215) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 1.237 5.894 -1.955) 6.332 2.762 ( 2.762 5.194 -4.962) 7.696 2.891 ( -0.509 5.571 2.754) 6.235 2.960 ( -6.041 3.471 6.225) 9.343 3.072 ( 5.184 12.610 -2.829) 13.924 3.214 ( 0.195 3.757 -0.743) 3.834 3.273 ( 1.910 7.062 10.358) 12.681 3.427 ( -2.678 3.507 3.526) 5.649 3.753 ( -3.836 -3.111 -4.758) 6.858 3.904 ( 3.835 3.353 0.929) 5.178 3.982 ( -0.753 -1.711 -1.718) 2.539 4.324 ( 1.210 -1.055 -3.300) 3.670 4.544 ( -2.670 -0.030 -0.255) 2.682 4.648 ( -0.535 -3.495 0.727) 3.610 4.851 ( 1.912 3.976 -3.762) 5.799 5.143 ( -1.827 3.256 2.691) 4.602 5.222 ( -0.928 1.583 6.908) 7.148 5.412 ( 0.308 2.581 0.737) 2.702 5.559 ( -1.686 -0.957 -1.654) 2.549 5.626 ( 3.007 0.135 -1.258) 3.263 5.700 ( 0.916 4.320 -2.921) 5.294 5.978 ( -5.459 -0.823 -9.925) 11.357 6.439 ( 6.022 1.808 7.152) 9.523 6.524 ( -0.183 6.118 1.239) 6.244 6.679 ( 1.957 5.551 -0.765) 5.936 6.816 ( -0.290 -2.875 5.645) 6.342 7.244 ( -1.067 3.907 0.125) 4.052 7.452 ( -2.252 -4.444 -5.315) 7.285 7.748 ( 0.458 -1.680 1.825) 2.522 7.912 ( -0.872 -4.173 -1.874) 4.657 8.783 ( 2.535 -3.626 -0.031) 4.424 9.069 ( -1.523 -2.680 1.628) 3.486 9.105 ( -0.633 -4.106 -5.639) 7.004 9.387 ( -0.822 -5.472 4.367) 7.050 9.536 ( -0.313 -0.677 -5.285) 5.338 9.647 ( 3.366 -9.622 1.366) 10.285 9.760 ( -0.309 -11.962 3.319) 12.418 10.003 ( -0.344 0.314 5.744) 5.763 10.168 ( 0.883 -10.969 -4.172) 11.769 10.243 ( -0.610 -9.155 -1.218) 9.256 10.957 ( -2.178 -5.866 -17.456) 18.544 11.032 ( -5.532 -5.314 -22.082) 23.377 11.619 ( -3.534 2.610 2.836) 5.229 11.800 ( 6.437 1.961 2.059) 7.037 11.921 ( -2.175 4.675 -3.706) 6.350 12.021 ( 5.847 2.108 10.332) 12.057 12.132 ( -0.751 6.112 7.148) 9.435 12.446 ( -0.793 4.495 4.147) 6.167 12.536 ( 4.222 5.691 -0.416) 7.098 12.907 ( 3.486 -4.034 -1.325) 5.494 13.007 ( -4.811 7.942 9.088) 12.993 13.195 ( -0.436 6.790 6.623) 9.495 16.367 ( -0.914 -4.366 -1.945) 4.866 16.403 ( 0.482 -4.082 -4.065) 5.781 17.396 ( 0.989 10.616 1.725) 10.801 17.566 ( 0.028 6.758 9.874) 11.966 17.658 ( 3.586 19.568 -1.405) 19.944 17.850 ( -3.196 15.542 7.645) 17.613 19.549 ( -1.234 -21.034 -6.793) 22.138 19.566 ( -0.439 -20.120 -5.694) 20.914 ======================= Grid point 148 (67/215) ======================= q-point: (-0.42 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -5.030 6.465 -9.372) 12.447 2.769 ( -14.496 11.159 4.033) 18.733 2.874 ( 4.427 2.382 3.387) 6.061 2.974 ( 0.827 4.525 4.529) 6.455 3.074 ( -3.247 2.411 1.722) 4.396 3.301 ( 4.924 3.693 1.081) 6.249 3.373 ( 0.193 6.580 4.664) 8.067 3.486 ( 5.277 5.162 3.567) 8.199 3.660 ( -0.928 -6.215 -3.400) 7.145 3.947 ( 3.359 -6.953 -7.176) 10.541 3.974 ( 1.557 10.281 4.259) 11.236 4.336 ( 2.010 -3.453 0.683) 4.053 4.445 ( -7.278 4.879 -3.055) 9.279 4.565 ( -4.804 5.071 -5.859) 9.117 4.935 ( 5.231 1.128 4.727) 7.140 5.121 ( -3.927 -0.442 1.063) 4.092 5.248 ( -3.426 3.011 4.282) 6.256 5.401 ( -9.262 1.012 -2.477) 9.640 5.490 ( 4.041 -0.878 0.660) 4.187 5.622 ( -1.548 -0.227 0.199) 1.577 5.682 ( 1.835 2.191 -3.882) 4.821 5.853 ( 1.220 0.203 -5.775) 5.906 6.442 ( -2.519 7.453 1.597) 8.027 6.647 ( 2.502 5.482 -0.654) 6.061 6.798 ( 10.726 4.048 4.458) 12.301 6.888 ( -0.510 -1.882 8.002) 8.236 7.233 ( 0.940 1.994 -1.968) 2.955 7.340 ( -2.953 -1.116 -4.661) 5.630 7.751 ( -1.871 -1.266 0.559) 2.327 7.854 ( -2.640 -2.153 -2.279) 4.098 8.872 ( 4.862 -7.598 3.399) 9.640 9.037 ( -0.252 -3.973 -4.960) 6.360 9.087 ( 2.963 -5.747 0.338) 6.475 9.402 ( -2.900 -4.918 2.919) 6.413 9.494 ( 3.931 -3.428 -5.884) 7.863 9.701 ( 3.407 -7.123 -0.327) 7.903 9.854 ( 2.941 -9.232 7.556) 12.287 10.022 ( -3.470 -3.154 1.875) 5.050 10.147 ( 3.554 -8.786 -6.668) 11.588 10.252 ( 1.558 -3.371 1.413) 3.973 10.698 ( -5.303 -7.897 -19.904) 22.060 10.730 ( -1.395 -8.320 -16.377) 18.422 11.606 ( -1.723 0.602 2.235) 2.886 11.783 ( -2.238 -2.192 -5.723) 6.524 11.941 ( 3.003 10.740 0.553) 11.165 12.149 ( 1.835 6.027 1.010) 6.381 12.180 ( -3.979 3.640 8.267) 9.870 12.503 ( -0.517 7.330 6.502) 9.812 12.634 ( 6.112 0.543 4.783) 7.780 12.929 ( -0.323 -5.225 -0.105) 5.236 13.004 ( -8.108 12.680 8.849) 17.460 13.233 ( -4.063 7.104 6.378) 10.376 16.325 ( -0.652 -3.588 -3.267) 4.896 16.369 ( 0.925 -3.594 -3.705) 5.243 17.429 ( 0.141 9.371 6.082) 11.172 17.651 ( 3.644 10.279 0.850) 10.938 17.698 ( -5.967 10.850 11.570) 16.947 18.005 ( 9.236 14.232 7.267) 18.458 19.321 ( -10.220 -18.173 -12.402) 24.260 19.582 ( 7.673 -19.704 -6.771) 22.203 ======================= Grid point 149 (68/215) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -9.613 12.041 -11.768) 19.388 2.505 ( -21.146 16.348 2.909) 26.886 2.939 ( -3.736 -4.400 -0.094) 5.772 3.025 ( 4.683 1.754 1.372) 5.185 3.134 ( 2.098 2.473 9.180) 9.736 3.290 ( -6.049 4.361 3.494) 8.235 3.491 ( 8.966 -2.059 0.945) 9.248 3.544 ( -2.680 0.546 0.804) 2.851 3.674 ( 3.002 -0.475 0.189) 3.045 3.940 ( 4.882 -4.820 -6.092) 9.175 4.059 ( 2.403 8.514 2.569) 9.212 4.182 ( -16.090 13.830 -4.615) 21.713 4.327 ( -3.908 3.097 -6.834) 8.460 4.521 ( 4.333 -1.087 5.417) 7.022 5.020 ( -2.346 -1.469 -0.718) 2.859 5.107 ( 3.883 -0.481 4.826) 6.213 5.193 ( -6.657 7.236 -0.840) 9.868 5.308 ( 0.773 -0.575 2.549) 2.725 5.489 ( -4.690 -1.483 -0.464) 4.941 5.667 ( 3.705 0.492 -4.013) 5.484 5.697 ( 7.463 -2.806 0.894) 8.023 5.856 ( 4.127 0.576 -2.425) 4.822 6.426 ( -2.366 7.217 1.114) 7.677 6.658 ( 0.031 6.159 0.673) 6.196 6.860 ( -4.027 -1.997 -0.152) 4.498 7.001 ( 3.266 2.471 1.912) 4.520 7.219 ( 3.597 2.452 -4.882) 6.541 7.359 ( 3.204 1.779 7.646) 8.479 7.702 ( -3.415 -0.472 -1.119) 3.625 7.802 ( -1.945 0.410 -0.105) 1.990 8.948 ( 0.226 -8.401 1.787) 8.592 8.987 ( 1.531 -5.448 -5.429) 7.842 9.196 ( 7.267 -5.412 2.622) 9.433 9.365 ( -2.079 -6.322 0.339) 6.664 9.532 ( 6.926 -0.828 -4.719) 8.422 9.770 ( 5.810 -2.708 -0.737) 6.453 9.917 ( -4.086 -7.408 -2.239) 8.752 9.976 ( -3.117 -1.216 6.257) 7.096 10.163 ( 6.681 -8.920 -3.447) 11.665 10.271 ( -0.098 2.223 -2.349) 3.236 10.451 ( -1.654 -13.033 -12.415) 18.075 10.596 ( 2.029 -8.680 -8.047) 12.009 11.605 ( -0.364 -0.853 0.441) 1.027 11.700 ( -2.022 0.191 -2.189) 2.986 11.931 ( -1.669 9.888 -3.684) 10.683 12.113 ( -7.152 6.916 2.267) 10.204 12.232 ( 3.582 -0.880 0.651) 3.746 12.547 ( -2.814 8.149 5.370) 10.157 12.766 ( 1.271 -0.179 1.715) 2.142 12.906 ( -6.538 9.592 6.976) 13.543 12.972 ( -2.242 4.065 3.630) 5.892 13.215 ( -5.517 0.227 5.520) 7.807 16.276 ( -0.559 -2.020 -3.651) 4.210 16.356 ( 1.592 -2.760 -2.155) 3.847 17.556 ( 4.222 8.335 8.447) 12.596 17.671 ( 0.526 11.168 0.108) 11.181 17.791 ( -2.968 3.318 16.143) 16.746 18.217 ( 6.106 10.960 6.571) 14.163 18.975 ( -10.616 -14.311 -18.412) 25.623 19.649 ( 9.707 -17.157 -6.023) 20.612 ======================= Grid point 150 (69/215) ======================= q-point: (-0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -14.986 16.810 -10.276) 24.754 2.192 ( -21.552 20.831 2.436) 30.072 2.875 ( -3.485 -3.874 0.105) 5.212 3.058 ( -1.958 2.713 -0.300) 3.359 3.171 ( -6.176 5.100 1.117) 8.087 3.276 ( -10.387 4.859 -2.991) 11.851 3.408 ( -7.190 4.015 5.662) 9.994 3.652 ( 8.424 -5.447 -0.743) 10.059 3.686 ( 0.701 5.274 -1.793) 5.615 3.801 ( -7.094 2.799 -3.032) 8.207 3.993 ( -2.971 0.501 -1.506) 3.368 4.201 ( 4.458 6.358 6.513) 10.136 4.252 ( 5.872 3.410 -3.529) 7.652 4.708 ( 8.810 -4.696 6.396) 11.856 4.954 ( -2.634 -4.637 -2.651) 5.956 5.080 ( -5.902 6.144 -0.846) 8.561 5.252 ( 5.464 2.109 4.724) 7.525 5.356 ( -0.808 2.818 -1.127) 3.141 5.457 ( 3.340 0.040 3.245) 4.657 5.671 ( 5.570 -2.038 -6.473) 8.779 5.825 ( 5.719 -4.727 -0.171) 7.422 5.923 ( 5.427 -1.675 0.388) 5.692 6.377 ( -3.190 4.501 -1.259) 5.658 6.671 ( -1.398 4.051 3.545) 5.562 6.772 ( -4.304 -2.314 -1.362) 5.073 7.009 ( -0.415 3.025 -2.334) 3.844 7.244 ( 2.584 4.574 -0.875) 5.326 7.507 ( 2.664 0.019 6.316) 6.855 7.635 ( -4.486 1.542 0.771) 4.806 7.782 ( -1.325 1.359 0.705) 2.024 8.926 ( 1.664 -1.484 -5.075) 5.543 9.000 ( 2.199 -6.787 1.256) 7.244 9.239 ( -1.352 0.987 -2.230) 2.789 9.433 ( 6.550 -8.541 1.683) 10.894 9.567 ( 3.575 -1.830 -4.322) 5.900 9.812 ( -0.653 -1.731 -0.282) 1.872 9.888 ( 2.964 -0.989 1.650) 3.534 9.972 ( -0.761 -5.370 0.674) 5.465 10.123 ( -2.947 -1.706 -9.539) 10.128 10.259 ( -1.614 0.459 0.736) 1.832 10.461 ( 8.201 -9.036 1.997) 12.365 10.594 ( 6.362 -8.528 -1.769) 10.786 11.607 ( 0.930 -4.398 -0.562) 4.531 11.676 ( 0.677 2.907 -0.264) 2.996 11.837 ( -3.703 7.640 -4.591) 9.652 12.001 ( -8.421 7.434 0.777) 11.260 12.269 ( 0.325 -2.211 -1.233) 2.552 12.520 ( -7.831 7.255 5.051) 11.810 12.710 ( -2.033 3.245 -6.243) 7.324 12.867 ( -6.081 11.286 5.433) 13.923 12.976 ( -3.322 6.613 -1.019) 7.470 13.258 ( 2.248 -14.390 8.467) 16.847 16.230 ( -0.453 -0.129 -2.808) 2.847 16.370 ( 2.052 -1.847 -0.628) 2.832 17.626 ( -0.295 6.293 -2.546) 6.794 17.723 ( -2.022 7.053 8.867) 11.509 17.990 ( 3.149 1.630 19.046) 19.373 18.285 ( -8.986 2.895 5.649) 11.002 18.647 ( 1.723 -5.111 -21.604) 22.267 19.758 ( 11.303 -13.283 -3.996) 17.894 ======================= Grid point 151 (70/215) ======================= q-point: (-0.17 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -18.482 20.053 -3.483) 27.493 1.892 ( -18.004 26.933 0.206) 32.398 2.726 ( -23.480 25.094 -3.891) 34.586 2.873 ( -6.763 7.054 -0.167) 9.774 3.003 ( -3.950 0.980 -0.491) 4.099 3.133 ( -6.268 1.841 3.292) 7.315 3.450 ( -4.500 -4.267 1.871) 6.478 3.632 ( -0.586 3.288 -2.931) 4.444 3.703 ( 7.359 -6.493 -5.516) 11.258 3.850 ( 7.677 -3.208 0.439) 8.332 3.960 ( -0.337 11.514 1.853) 11.667 4.274 ( -0.629 4.224 3.907) 5.788 4.453 ( 13.294 -8.525 3.842) 16.253 4.877 ( -2.726 -6.845 -2.859) 7.903 4.907 ( 6.817 -3.934 5.180) 9.422 4.992 ( -4.038 5.521 -0.056) 6.840 5.274 ( -5.009 5.140 3.486) 7.979 5.387 ( 3.593 0.757 -2.872) 4.662 5.574 ( 8.411 0.995 -0.719) 8.500 5.724 ( 9.195 -3.707 -5.686) 11.429 5.884 ( 2.445 -5.145 0.447) 5.714 5.989 ( 0.958 -3.005 0.995) 3.307 6.334 ( 0.457 -0.372 -1.379) 1.500 6.692 ( -1.654 1.756 3.067) 3.902 6.713 ( -2.065 -0.997 1.547) 2.766 6.962 ( -1.832 2.651 -2.842) 4.296 7.267 ( 0.949 5.875 -0.107) 5.952 7.533 ( -2.219 0.945 -1.063) 2.636 7.580 ( -6.960 -1.727 3.817) 8.124 7.770 ( -1.083 1.226 0.557) 1.728 8.927 ( 3.958 1.300 -2.755) 4.995 9.058 ( 1.814 1.732 1.727) 3.045 9.213 ( 3.268 2.418 -1.116) 4.215 9.479 ( -0.751 -1.884 -2.423) 3.160 9.586 ( 3.793 -1.900 -1.778) 4.600 9.823 ( -0.732 -0.896 2.857) 3.082 9.926 ( -1.963 -4.014 -0.208) 4.473 9.946 ( -1.635 -7.467 -2.012) 7.905 10.049 ( 5.242 -3.604 -3.316) 7.174 10.220 ( -2.725 0.314 0.235) 2.754 10.477 ( -6.583 11.953 2.813) 13.933 10.905 ( 22.753 -14.413 8.210) 28.157 11.627 ( 0.695 -5.020 1.726) 5.354 11.702 ( -0.050 3.954 0.042) 3.954 11.728 ( -0.272 2.940 -5.563) 6.298 11.882 ( -5.899 8.529 -0.960) 10.415 12.220 ( -3.584 0.237 -0.503) 3.627 12.436 ( -7.928 6.942 3.481) 11.098 12.586 ( -3.249 4.195 -8.554) 10.066 12.806 ( -9.637 6.372 1.816) 11.695 12.915 ( 3.514 1.253 -4.755) 6.044 13.405 ( 4.466 -17.259 5.519) 18.662 16.204 ( -0.137 1.507 -0.949) 1.787 16.401 ( 1.830 -0.940 0.359) 2.088 17.539 ( -7.770 -1.300 -1.377) 7.997 17.742 ( -2.003 6.841 0.201) 7.131 17.986 ( -17.429 -12.330 -1.369) 21.393 18.346 ( 8.439 17.647 11.606) 22.745 18.569 ( 5.909 -4.865 -7.855) 10.968 19.927 ( 12.211 -8.418 0.773) 14.852 ======================= Grid point 152 (71/215) ======================= q-point: (-0.08 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -17.835 22.903 6.659) 29.782 1.613 ( -10.434 33.438 -7.821) 35.891 2.450 ( -13.774 39.605 15.821) 44.817 2.822 ( -1.770 9.000 -0.280) 9.177 2.964 ( -2.007 -4.159 1.209) 4.774 3.037 ( -7.381 -1.792 -0.119) 7.596 3.387 ( -2.124 0.057 0.588) 2.205 3.606 ( 0.609 0.590 -2.139) 2.301 3.789 ( 9.429 -8.320 -7.038) 14.411 3.956 ( 5.453 -4.366 0.098) 6.986 3.987 ( 1.248 15.586 -0.327) 15.640 4.280 ( -1.826 -0.689 0.848) 2.128 4.650 ( 4.649 -12.529 1.440) 13.441 4.831 ( 0.898 -5.779 -0.210) 5.852 4.928 ( -4.093 6.962 2.441) 8.437 5.043 ( 2.615 -2.670 3.100) 4.855 5.233 ( -4.361 0.396 -3.539) 5.631 5.371 ( 2.350 0.696 1.706) 2.986 5.701 ( 8.199 -0.708 -3.337) 8.880 5.791 ( 6.080 -3.800 -3.106) 7.814 5.891 ( -4.466 1.423 2.235) 5.193 6.019 ( 3.343 -6.692 -0.253) 7.485 6.349 ( 2.215 -4.388 -0.852) 4.989 6.674 ( -1.880 1.073 1.583) 2.682 6.757 ( 2.516 0.667 2.508) 3.615 6.882 ( -4.220 0.340 -3.118) 5.258 7.269 ( 0.184 6.085 -1.292) 6.223 7.465 ( -7.099 -2.298 -1.842) 7.685 7.489 ( -3.426 2.231 2.681) 4.889 7.761 ( -0.808 0.486 0.449) 1.044 8.954 ( 0.215 4.479 -0.589) 4.523 9.114 ( 5.127 4.567 1.905) 7.125 9.350 ( 8.943 4.982 5.063) 11.421 9.403 ( -2.651 2.284 -2.578) 4.347 9.651 ( 5.800 1.604 -1.134) 6.124 9.756 ( -9.983 -0.467 1.084) 10.053 9.891 ( 1.560 -6.174 1.083) 6.460 9.955 ( -1.427 -7.369 0.763) 7.544 10.089 ( 1.587 -2.614 -0.894) 3.186 10.185 ( -1.345 -1.558 -2.294) 3.082 10.392 ( -6.085 14.762 2.950) 16.237 11.346 ( 16.024 -10.097 8.590) 20.797 11.594 ( -6.389 2.304 -1.658) 6.991 11.692 ( 5.215 -3.102 2.410) 6.529 11.761 ( 2.880 1.700 -0.232) 3.352 11.807 ( -3.067 5.881 -0.030) 6.633 12.197 ( 2.999 3.408 -2.688) 5.276 12.335 ( -4.396 5.351 -6.619) 9.580 12.480 ( -0.991 2.025 1.872) 2.930 12.626 ( -11.795 4.822 -1.334) 12.813 12.945 ( 5.213 -1.433 -4.477) 7.019 13.486 ( 1.937 -18.681 -1.150) 18.817 16.206 ( 0.122 2.554 1.283) 2.860 16.433 ( 1.104 -0.071 1.010) 1.498 17.371 ( -10.256 -6.049 -0.218) 11.909 17.668 ( -0.983 6.304 -8.733) 10.815 17.732 ( -8.506 -9.674 -3.385) 13.319 18.396 ( 2.956 10.704 -16.422) 19.824 18.747 ( 3.370 1.076 21.096) 21.390 20.141 ( 8.873 -6.170 5.232) 12.007 ======================= Grid point 153 (72/215) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.333 22.798 8.193) 24.227 2.135 ( 1.516 29.769 -9.316) 31.230 2.825 ( -1.084 -4.522 -3.466) 5.800 2.899 ( -2.423 0.133 -1.124) 2.674 2.996 ( 1.962 4.774 0.203) 5.166 3.131 ( 0.786 4.825 8.305) 9.638 3.361 ( -0.949 0.140 -2.582) 2.754 3.653 ( 3.256 -0.375 -3.385) 4.712 3.712 ( 2.600 4.154 -6.407) 8.066 3.849 ( -1.692 -6.141 2.437) 6.820 3.994 ( -4.734 -7.556 -1.725) 9.082 4.276 ( 1.416 3.841 0.879) 4.187 4.623 ( -2.268 1.382 7.146) 7.624 4.797 ( 1.400 2.258 6.231) 6.773 4.960 ( -5.662 1.404 -1.680) 6.071 5.091 ( -0.075 0.910 4.884) 4.969 5.156 ( 3.389 4.132 -3.787) 6.550 5.447 ( -0.555 -4.389 7.521) 8.725 5.702 ( 2.541 0.022 -3.395) 4.241 5.802 ( 0.380 -2.289 1.277) 2.649 5.882 ( 1.345 -0.318 -2.106) 2.520 5.947 ( 1.699 -4.588 -0.211) 4.897 6.317 ( -2.206 2.788 -2.577) 4.391 6.642 ( -4.827 -2.427 -4.961) 7.335 6.753 ( -1.168 0.958 -0.317) 1.543 6.873 ( 8.261 0.124 1.368) 8.374 7.332 ( -0.390 1.764 -0.417) 1.854 7.402 ( -0.848 2.905 1.463) 3.361 7.594 ( -1.054 5.679 3.071) 6.542 7.748 ( -1.588 -0.418 1.947) 2.547 9.043 ( -0.352 5.060 -4.588) 6.840 9.252 ( 1.258 -4.358 6.719) 8.107 9.395 ( 2.084 -0.795 -3.241) 3.934 9.523 ( -6.358 -5.086 1.583) 8.295 9.676 ( 4.132 2.546 1.850) 5.194 9.737 ( 4.612 -1.115 -1.680) 5.034 9.839 ( -0.293 1.292 1.167) 1.766 9.873 ( -2.676 -0.153 6.968) 7.465 10.000 ( -4.845 -0.999 -0.710) 4.998 10.140 ( 4.532 -0.755 -1.257) 4.763 10.745 ( -2.926 19.116 5.363) 20.068 11.383 ( -11.301 -5.210 2.639) 12.721 11.517 ( 7.616 -3.991 3.713) 9.366 11.624 ( 2.402 -8.382 2.448) 9.056 11.844 ( -2.392 6.499 -2.119) 7.242 11.966 ( 2.798 5.695 4.476) 7.765 12.219 ( -1.336 -0.931 -4.698) 4.972 12.314 ( -0.399 6.755 -9.550) 11.704 12.469 ( 7.275 -1.552 -6.192) 9.679 12.719 ( 1.938 6.861 3.919) 8.136 12.940 ( 2.009 -0.648 -2.425) 3.215 13.039 ( -5.512 -17.134 -3.048) 18.255 16.310 ( 0.436 4.108 2.954) 5.079 16.456 ( -0.744 -0.057 2.026) 2.159 17.164 ( 1.092 -5.563 1.494) 5.862 17.403 ( 0.416 -11.542 -1.698) 11.674 17.697 ( 1.009 6.891 -13.909) 15.555 18.172 ( -1.155 -5.274 -20.565) 21.262 19.269 ( -0.421 15.809 20.004) 25.501 20.112 ( -1.399 -8.653 6.353) 10.825 ======================= Grid point 154 (73/215) ======================= q-point: ( 0.08 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 12.878 16.956 11.765) 24.326 2.147 ( 8.676 24.938 -3.231) 26.601 2.806 ( 4.714 -1.996 -6.238) 8.070 2.858 ( -1.054 -2.210 0.004) 2.449 3.026 ( 1.993 -5.319 -4.000) 6.947 3.187 ( 0.310 1.340 -2.305) 2.685 3.338 ( 3.823 0.779 -2.560) 4.666 3.516 ( 4.335 -6.453 -17.710) 19.341 3.785 ( -0.031 5.691 4.628) 7.335 3.846 ( -3.965 -5.298 4.983) 8.284 3.992 ( -1.609 2.262 9.756) 10.144 4.281 ( -1.383 3.092 -0.078) 3.388 4.661 ( -2.727 9.153 7.214) 11.969 4.782 ( -5.965 7.011 -0.504) 9.219 4.961 ( 0.832 -0.229 6.349) 6.408 5.107 ( -2.009 1.499 2.711) 3.692 5.198 ( 5.357 4.017 -3.057) 7.361 5.500 ( -2.165 -3.251 3.359) 5.152 5.641 ( -5.788 0.063 -3.819) 6.935 5.795 ( -0.176 -2.166 -0.843) 2.331 5.891 ( -2.812 -1.407 1.324) 3.412 5.954 ( -0.263 -3.348 1.626) 3.731 6.275 ( 2.240 -0.418 -1.911) 2.974 6.527 ( 0.170 -4.573 -4.744) 6.592 6.776 ( 1.404 4.114 1.549) 4.614 7.024 ( 9.635 0.628 -1.071) 9.715 7.307 ( -2.172 2.113 -1.081) 3.217 7.422 ( 0.638 3.787 1.284) 4.049 7.619 ( -0.375 4.249 3.159) 5.308 7.749 ( -0.817 0.671 1.368) 1.729 8.981 ( -0.991 2.461 -2.782) 3.844 9.246 ( -7.040 -7.747 -1.827) 10.627 9.392 ( -3.536 1.996 -1.699) 4.401 9.451 ( -2.625 -4.681 6.708) 8.591 9.690 ( 0.519 -1.677 -5.509) 5.782 9.738 ( -1.012 0.493 -3.180) 3.373 9.859 ( -0.873 -1.680 3.921) 4.354 9.901 ( -2.060 1.517 8.322) 8.706 10.035 ( 3.875 -0.537 4.567) 6.014 10.217 ( 3.422 1.152 3.782) 5.229 10.754 ( -3.593 14.148 4.835) 15.377 11.126 ( -23.032 -6.835 6.386) 24.859 11.634 ( -2.931 -3.493 2.741) 5.321 11.726 ( 9.579 1.448 0.443) 9.698 11.791 ( 0.587 3.408 -1.063) 3.617 12.064 ( -3.646 2.932 2.390) 5.254 12.133 ( 4.200 -1.144 -1.859) 4.733 12.279 ( 7.514 6.653 -5.535) 11.461 12.555 ( 11.459 -2.099 -8.506) 14.424 12.802 ( 5.157 4.829 -3.612) 7.935 12.877 ( -6.567 -12.223 -4.564) 14.607 12.964 ( 2.993 1.728 -1.999) 3.993 16.347 ( -0.973 3.414 4.259) 5.544 16.449 ( -2.737 0.019 2.148) 3.479 17.304 ( 12.020 -6.254 2.090) 13.710 17.434 ( 5.669 -9.573 -4.647) 12.057 17.573 ( 3.335 3.234 -12.857) 13.671 17.936 ( 2.152 -3.414 -19.006) 19.430 19.429 ( -7.724 12.596 19.869) 24.761 20.076 ( -10.693 -6.673 4.811) 13.491 ======================= Grid point 155 (74/215) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 11.642 17.484 2.360) 21.138 2.448 ( 18.005 10.733 12.905) 24.616 2.807 ( 3.614 -1.761 -6.040) 7.256 2.865 ( 1.465 -2.076 -3.951) 4.697 2.929 ( 1.916 -7.331 -6.949) 10.281 3.214 ( 4.314 3.574 -1.546) 5.811 3.348 ( 4.724 0.830 -8.663) 9.902 3.517 ( 12.031 -6.425 -7.683) 15.654 3.769 ( -6.393 1.799 4.653) 8.109 3.837 ( -1.419 -2.700 0.771) 3.146 4.098 ( -1.328 -0.847 9.462) 9.593 4.235 ( -3.529 0.876 -0.357) 3.654 4.648 ( -6.343 11.641 -0.979) 13.294 4.726 ( -5.623 13.138 11.273) 18.202 5.031 ( 0.203 0.017 3.950) 3.955 5.132 ( 3.218 3.043 1.311) 4.619 5.231 ( 3.385 3.698 -4.204) 6.542 5.418 ( -8.017 -1.303 -3.749) 8.945 5.497 ( -5.348 5.560 -1.425) 7.844 5.755 ( -3.412 -6.284 -1.460) 7.298 5.837 ( -5.139 -1.970 2.390) 6.000 5.972 ( -1.069 -2.064 2.718) 3.576 6.350 ( 6.545 0.531 0.445) 6.581 6.557 ( 6.739 -4.419 -1.387) 8.177 6.813 ( 1.394 4.834 0.831) 5.100 7.127 ( 6.906 -2.614 -6.485) 9.827 7.245 ( -4.166 6.212 1.014) 7.548 7.431 ( -1.685 3.209 1.641) 3.978 7.648 ( 0.509 2.229 1.871) 2.955 7.748 ( -0.562 1.302 0.187) 1.431 8.950 ( -2.909 -0.610 0.220) 2.980 9.104 ( -5.669 -6.312 -0.392) 8.493 9.274 ( -6.193 1.372 -1.816) 6.598 9.445 ( -6.970 -0.301 1.171) 7.074 9.638 ( 0.920 -3.830 -4.742) 6.165 9.708 ( 1.640 -4.800 -2.110) 5.493 9.873 ( -3.238 -3.968 4.091) 6.555 9.976 ( -1.370 -0.297 6.929) 7.070 10.128 ( 1.835 0.470 2.210) 2.910 10.306 ( -1.280 0.015 5.649) 5.792 10.753 ( -4.632 7.048 9.184) 12.469 10.886 ( -17.977 -6.282 14.640) 24.020 11.592 ( -3.111 0.187 0.265) 3.128 11.791 ( -2.326 0.127 1.970) 3.051 11.841 ( 7.941 1.214 -6.503) 10.336 12.025 ( 2.349 2.718 -0.606) 3.643 12.220 ( 6.898 4.002 -4.968) 9.396 12.422 ( 9.296 2.547 3.903) 10.399 12.601 ( 7.297 -5.618 -9.694) 13.371 12.685 ( -2.520 -7.752 -9.915) 12.836 12.853 ( 3.597 9.725 -3.579) 10.969 13.005 ( 5.396 5.221 -3.242) 8.179 16.371 ( -2.020 1.576 4.285) 4.992 16.427 ( -3.079 -0.361 2.307) 3.864 17.370 ( 3.837 0.375 -10.815) 11.481 17.476 ( 3.497 1.312 -13.126) 13.647 17.612 ( 13.405 -7.224 5.670) 16.249 17.914 ( 14.199 -5.590 -9.258) 17.848 19.466 ( -13.858 7.965 17.871) 23.976 19.897 ( -16.034 -5.736 1.969) 17.142 ======================= Grid point 156 (75/215) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 11.718 11.891 2.901) 16.945 2.674 ( 5.471 2.307 -7.472) 9.544 2.851 ( 4.004 -3.264 0.782) 5.225 2.910 ( 5.100 4.485 6.632) 9.493 3.051 ( 12.693 -0.539 6.418) 14.234 3.196 ( 1.790 3.262 -9.586) 10.283 3.360 ( 3.766 0.333 -2.344) 4.448 3.593 ( 7.022 -1.015 -9.024) 11.479 3.754 ( -2.876 2.892 1.370) 4.303 3.813 ( 2.488 -2.784 0.083) 3.735 4.120 ( -5.066 -4.476 2.825) 7.327 4.205 ( -1.195 -1.974 4.387) 4.957 4.532 ( -6.799 8.590 0.481) 10.966 4.742 ( -6.102 9.659 6.335) 13.064 5.067 ( 0.916 0.158 1.231) 1.542 5.181 ( -4.003 4.336 -5.257) 7.903 5.224 ( 5.804 5.159 0.051) 7.766 5.300 ( 0.536 2.691 0.176) 2.750 5.443 ( -0.029 5.766 -1.338) 5.919 5.663 ( -5.705 -4.522 -1.360) 7.406 5.799 ( -3.177 -1.174 2.792) 4.389 5.979 ( -1.909 -1.639 3.045) 3.950 6.441 ( 4.088 2.275 -0.363) 4.693 6.655 ( 5.352 -3.789 -0.908) 6.620 6.834 ( 0.401 4.107 -0.018) 4.126 7.034 ( -3.779 -1.759 -10.840) 11.614 7.269 ( 1.338 6.486 4.189) 7.836 7.422 ( -2.202 2.462 3.476) 4.795 7.678 ( 0.618 -0.448 1.333) 1.536 7.733 ( 0.150 -0.101 -1.622) 1.632 8.861 ( -6.916 -2.109 0.280) 7.236 9.090 ( -0.726 -4.266 3.595) 5.626 9.190 ( -3.621 0.788 0.360) 3.723 9.307 ( -6.657 1.217 -2.883) 7.355 9.606 ( -0.495 -7.311 -2.553) 7.760 9.690 ( -0.503 -6.478 -5.010) 8.205 9.841 ( -7.369 -2.507 4.574) 9.028 9.974 ( -8.006 -7.585 6.896) 13.007 10.115 ( -0.342 -0.299 -4.986) 5.007 10.265 ( -7.439 -5.195 1.872) 9.264 10.886 ( 1.451 3.577 19.222) 19.605 10.934 ( -3.358 -1.774 21.382) 21.717 11.537 ( -0.984 0.690 -4.263) 4.430 11.819 ( 3.359 2.532 -2.015) 4.664 11.829 ( 1.914 -3.703 -4.494) 6.130 12.059 ( 3.045 0.847 -3.982) 5.084 12.215 ( 2.423 6.941 -9.317) 11.869 12.513 ( 2.843 1.077 -6.244) 6.945 12.583 ( 2.861 -2.204 -5.751) 6.791 12.704 ( 8.547 -2.564 4.185) 9.856 12.870 ( 4.590 8.938 -4.433) 10.982 13.053 ( 6.291 6.724 -4.862) 10.413 16.376 ( -2.417 -0.698 2.881) 3.825 16.403 ( -2.943 -1.230 1.936) 3.731 17.332 ( 4.831 4.104 -6.030) 8.749 17.418 ( 6.774 7.266 -10.185) 14.227 17.890 ( 10.732 -3.453 7.914) 13.774 18.066 ( 14.278 -3.643 -8.218) 16.872 19.403 ( -16.345 0.004 14.977) 22.169 19.630 ( -17.161 -7.917 -1.706) 18.976 ======================= Grid point 157 (76/215) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 8.199 5.605 -1.659) 10.070 2.758 ( 9.823 6.966 0.552) 12.055 2.929 ( 4.807 0.940 1.145) 5.030 2.997 ( -0.901 4.055 0.882) 4.247 3.128 ( 3.010 -2.847 -5.450) 6.846 3.237 ( -1.326 3.697 2.767) 4.805 3.408 ( 3.778 3.281 -0.316) 5.014 3.574 ( 1.733 4.000 -8.817) 9.836 3.727 ( 4.400 3.544 2.897) 6.349 3.905 ( 1.676 -1.797 2.548) 3.540 4.062 ( -4.582 -1.084 3.449) 5.836 4.260 ( 0.530 -4.904 4.345) 6.573 4.464 ( -3.229 5.398 2.312) 6.701 4.670 ( -4.428 2.174 -2.631) 5.590 5.059 ( -4.312 1.288 -3.050) 5.436 5.103 ( 2.357 -0.360 0.356) 2.411 5.283 ( 2.317 8.502 -0.183) 8.814 5.390 ( 7.499 3.122 -0.065) 8.123 5.466 ( 3.857 4.383 0.117) 5.840 5.567 ( -4.281 0.107 -0.771) 4.351 5.802 ( -0.037 1.094 2.288) 2.536 5.990 ( -0.983 -2.237 3.722) 4.453 6.469 ( 0.619 2.162 -1.644) 2.786 6.675 ( -0.653 -3.896 -2.055) 4.453 6.784 ( -6.071 2.395 -4.346) 7.842 6.867 ( -2.461 1.751 -4.015) 5.025 7.328 ( 0.562 5.608 2.935) 6.354 7.449 ( -0.877 0.488 4.136) 4.256 7.670 ( -0.525 -0.140 -0.546) 0.771 7.758 ( 3.218 -3.539 0.287) 4.792 8.770 ( -4.358 -2.517 -0.263) 5.040 9.090 ( -3.027 -3.016 -0.069) 4.274 9.165 ( -3.622 -3.009 5.514) 7.251 9.210 ( -0.952 0.171 -3.828) 3.949 9.524 ( -6.195 -10.407 -4.880) 13.058 9.588 ( -5.303 -10.741 -1.702) 12.099 9.758 ( -7.409 1.008 4.360) 8.656 9.926 ( -5.071 -6.517 3.296) 8.891 10.058 ( -0.433 -2.775 -3.556) 4.531 10.173 ( -4.108 -6.181 0.338) 7.429 11.082 ( 1.181 -0.337 9.328) 9.408 11.238 ( 3.830 -0.109 27.353) 27.620 11.460 ( 1.278 1.844 -10.863) 11.093 11.714 ( 3.142 -0.442 -14.011) 14.366 11.937 ( 1.918 -1.435 6.135) 6.586 12.017 ( -2.149 -3.075 -4.944) 6.207 12.140 ( 2.525 10.180 -6.097) 12.131 12.489 ( 2.693 1.727 -3.784) 4.955 12.595 ( 5.453 6.142 -5.994) 10.168 12.836 ( 5.349 -0.898 -3.956) 6.713 12.937 ( 3.037 4.308 6.835) 8.631 13.111 ( 5.742 6.273 -0.532) 8.521 16.358 ( -2.739 -2.188 1.279) 3.732 16.377 ( -1.671 -2.693 0.135) 3.172 17.415 ( 8.978 9.544 0.837) 13.129 17.460 ( 9.429 10.787 -5.722) 15.427 18.106 ( 4.107 3.790 8.508) 10.179 18.130 ( 5.154 4.226 -8.463) 10.772 19.306 ( -13.433 -11.247 10.536) 20.443 19.338 ( -13.372 -14.516 -5.412) 20.465 ======================= Grid point 158 (77/215) ======================= q-point: ( 0.42 0.33 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 4.560 7.348 0.558) 8.666 2.892 ( 1.963 -0.589 -3.540) 4.090 2.914 ( 3.328 7.041 -3.067) 8.370 3.044 ( 2.597 3.704 4.381) 6.297 3.113 ( 4.336 -3.893 -4.991) 7.672 3.284 ( 1.224 3.044 3.488) 4.788 3.352 ( -0.909 8.907 -4.355) 9.956 3.550 ( -1.588 6.498 2.322) 7.081 3.810 ( 1.957 -1.498 -3.812) 4.539 3.918 ( -7.156 5.267 7.446) 11.593 4.055 ( 1.120 -0.726 0.532) 1.436 4.302 ( 0.004 -3.429 1.507) 3.745 4.488 ( 1.201 2.057 5.121) 5.648 4.594 ( -1.103 -0.544 -1.516) 1.952 4.968 ( -1.597 0.886 -4.238) 4.615 5.150 ( 2.054 -1.833 1.006) 2.931 5.305 ( 0.365 9.960 0.657) 9.988 5.486 ( 0.513 3.295 1.499) 3.656 5.512 ( 1.882 1.010 -0.185) 2.144 5.557 ( 5.540 1.003 -1.205) 5.758 5.827 ( 1.129 4.057 -0.897) 4.305 6.032 ( 1.262 -3.617 0.614) 3.880 6.408 ( -3.148 3.113 -2.185) 4.937 6.620 ( -3.637 -1.465 1.914) 4.363 6.680 ( -2.032 -1.091 0.206) 2.315 6.828 ( -0.486 3.283 -0.567) 3.367 7.351 ( -0.236 4.603 0.728) 4.666 7.438 ( -3.011 -0.998 -0.130) 3.175 7.692 ( 1.350 0.037 2.056) 2.460 7.807 ( 1.921 -4.601 0.454) 5.007 8.722 ( -0.190 -2.454 -1.761) 3.026 9.030 ( -4.025 -4.284 -1.554) 6.080 9.109 ( -1.410 -4.686 -3.989) 6.314 9.200 ( -2.932 -5.265 3.554) 6.997 9.397 ( -2.145 -11.322 -1.732) 11.652 9.484 ( -7.095 -15.491 1.661) 17.119 9.686 ( -2.786 3.646 -5.225) 6.954 9.897 ( -2.013 -5.232 0.672) 5.646 10.033 ( 0.458 -2.641 1.936) 3.307 10.158 ( -1.545 -1.952 3.617) 4.391 11.072 ( -0.301 -2.197 -12.664) 12.857 11.256 ( -2.276 -4.813 -21.302) 21.957 11.604 ( 2.419 1.877 20.452) 20.680 11.703 ( 4.576 -0.038 0.946) 4.673 11.895 ( -0.302 1.773 -3.268) 3.730 12.017 ( -0.335 0.581 2.338) 2.432 12.190 ( 3.123 8.518 4.897) 10.309 12.528 ( 0.994 3.083 3.714) 4.928 12.605 ( 5.657 6.702 -6.845) 11.125 12.833 ( 4.163 -1.172 -8.139) 9.217 13.065 ( -0.301 5.120 11.664) 12.742 13.227 ( 3.470 5.316 7.113) 9.534 16.324 ( -2.024 -2.900 -0.379) 3.556 16.351 ( -0.539 -3.637 -1.884) 4.131 17.559 ( 9.210 13.089 -2.641) 16.221 17.619 ( 9.781 13.185 4.935) 17.143 18.045 ( -1.468 10.276 -8.197) 13.227 18.203 ( -5.630 12.988 9.334) 16.956 19.115 ( -4.122 -23.338 -7.138) 24.751 19.221 ( -8.562 -20.404 4.198) 22.522 ======================= Grid point 159 (78/215) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -2.857 0.482 -7.472) 8.014 2.825 ( 0.207 1.785 -1.697) 2.472 3.006 ( 3.413 6.081 1.253) 7.085 3.093 ( -1.789 7.171 -0.381) 7.400 3.187 ( 4.607 -3.433 3.393) 6.672 3.269 ( 6.084 5.457 -5.838) 10.043 3.428 ( -1.869 7.814 9.730) 12.619 3.550 ( -1.105 7.446 3.854) 8.457 3.711 ( -4.803 -1.998 -7.364) 9.016 3.862 ( -0.863 -1.477 -3.049) 3.496 4.085 ( -1.950 2.386 4.377) 5.353 4.302 ( 0.862 -0.127 -0.859) 1.224 4.548 ( -5.060 0.847 6.740) 8.471 4.633 ( 4.578 2.138 3.723) 6.276 4.930 ( 2.380 3.152 -3.112) 5.028 5.172 ( -0.557 -3.066 -0.363) 3.138 5.314 ( -0.723 8.922 1.747) 9.120 5.462 ( -1.960 2.785 0.687) 3.474 5.551 ( -0.118 0.603 -0.203) 0.647 5.614 ( 2.227 0.372 -0.204) 2.267 5.798 ( -1.437 3.233 -4.199) 5.491 5.941 ( -4.811 -2.832 -8.292) 9.996 6.477 ( 5.745 2.096 7.005) 9.299 6.633 ( 1.038 3.253 5.087) 6.126 6.710 ( 2.351 -1.323 5.036) 5.713 6.836 ( 0.967 3.228 1.045) 3.528 7.332 ( -1.089 3.731 -2.399) 4.567 7.377 ( -2.649 -1.474 -2.336) 3.827 7.725 ( -0.582 -0.570 2.472) 2.603 7.819 ( -0.456 -4.369 -0.349) 4.407 8.716 ( 1.153 -2.430 -1.410) 3.036 8.944 ( -0.226 -7.671 -4.576) 8.935 9.054 ( -1.634 -1.850 -2.802) 3.734 9.213 ( 2.199 -9.363 0.900) 9.659 9.410 ( -0.743 -13.081 0.538) 13.113 9.427 ( 2.025 -12.025 1.288) 12.263 9.580 ( -0.348 -0.756 -6.185) 6.241 9.840 ( -2.154 -10.170 -3.312) 10.911 10.136 ( 3.203 2.198 7.958) 8.856 10.168 ( -2.546 1.650 2.959) 4.238 10.853 ( -0.960 -3.943 -22.178) 22.546 10.927 ( -4.015 -4.894 -26.437) 27.185 11.668 ( -3.300 2.144 0.171) 3.939 11.775 ( 1.668 -2.131 -1.344) 3.021 12.037 ( 1.741 3.439 7.563) 8.488 12.053 ( 3.077 1.386 14.066) 14.465 12.303 ( -0.151 9.741 8.373) 12.846 12.538 ( 0.851 4.241 -2.917) 5.217 12.644 ( 2.132 4.538 0.205) 5.018 12.822 ( 3.315 -3.226 -3.399) 5.740 13.187 ( -3.304 8.649 14.983) 17.613 13.354 ( -0.362 6.564 10.307) 12.225 16.289 ( -0.709 -3.002 -1.899) 3.622 16.320 ( 0.372 -3.679 -3.242) 4.917 17.636 ( 0.601 12.833 -0.956) 12.883 17.757 ( 1.554 12.008 3.542) 12.616 18.010 ( 2.812 13.274 -1.479) 13.649 18.173 ( -3.433 14.125 5.645) 15.594 19.057 ( 3.016 -25.110 -5.207) 25.821 19.114 ( -4.961 -22.583 -2.283) 23.234 ======================= Grid point 160 (79/215) ======================= q-point: (-0.42 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -2.059 1.205 -6.707) 7.118 2.831 ( 0.721 -3.313 0.843) 3.494 3.019 ( -3.800 10.934 -1.372) 11.657 3.042 ( -1.004 2.538 0.731) 2.825 3.181 ( -9.261 4.561 -3.199) 10.807 3.329 ( 3.550 0.269 6.396) 7.321 3.498 ( 0.605 4.650 4.268) 6.341 3.586 ( 1.075 2.035 -5.830) 6.268 3.627 ( 4.293 4.243 1.430) 6.203 3.811 ( 0.612 -4.770 -5.712) 7.467 4.105 ( -2.967 -0.189 7.005) 7.610 4.335 ( 4.332 1.999 -0.311) 4.781 4.506 ( -10.382 3.290 8.347) 13.721 4.712 ( -0.216 7.779 0.792) 7.822 4.987 ( 6.298 3.386 1.183) 7.248 5.110 ( -4.288 -1.835 -3.065) 5.581 5.321 ( -1.300 6.094 1.969) 6.534 5.463 ( 1.178 -0.599 0.369) 1.372 5.483 ( -6.922 5.832 -2.096) 9.291 5.610 ( -1.073 -1.188 -0.715) 1.753 5.697 ( -2.432 -0.745 -5.077) 5.678 5.843 ( 1.615 -1.687 -4.053) 4.678 6.572 ( -0.820 4.055 4.750) 6.299 6.753 ( 1.931 4.843 3.837) 6.474 6.855 ( -0.101 -0.679 5.026) 5.073 6.901 ( 10.154 4.635 5.617) 12.495 7.270 ( 0.787 1.195 -6.437) 6.594 7.319 ( -2.235 -0.314 0.023) 2.257 7.728 ( -1.927 -0.801 1.508) 2.575 7.801 ( -0.993 -2.679 0.294) 2.872 8.727 ( 1.124 -5.301 0.855) 5.486 8.939 ( 4.221 -5.206 -4.541) 8.096 9.009 ( 2.076 -2.186 -3.596) 4.693 9.265 ( 1.237 -6.606 1.078) 6.807 9.385 ( 6.578 -9.003 -6.947) 13.137 9.553 ( 9.210 -8.771 -1.429) 12.798 9.572 ( 2.485 -9.238 0.981) 9.617 9.804 ( 0.894 -14.109 1.634) 14.232 10.129 ( -3.473 3.289 -1.581) 5.038 10.258 ( 0.927 1.913 6.719) 7.048 10.581 ( -2.948 -4.526 -22.482) 23.121 10.589 ( -1.036 -4.427 -22.007) 22.472 11.624 ( -2.185 1.412 0.598) 2.670 11.735 ( -0.932 -2.008 -4.033) 4.601 12.133 ( 0.849 6.542 6.233) 9.076 12.231 ( -0.995 3.320 7.487) 8.250 12.326 ( -4.450 7.886 2.312) 9.346 12.560 ( 4.876 -3.103 2.035) 6.127 12.675 ( -0.455 5.336 3.763) 6.545 12.842 ( -0.803 -2.506 2.008) 3.310 13.273 ( -7.253 12.478 14.292) 20.311 13.423 ( -5.674 8.779 9.471) 14.106 16.260 ( 0.593 -2.442 -3.035) 3.940 16.296 ( 1.432 -3.233 -3.268) 4.815 17.599 ( -4.258 7.713 4.953) 10.107 17.824 ( 0.815 9.885 4.251) 10.791 17.933 ( -7.811 7.495 0.051) 10.825 18.329 ( 10.922 15.316 3.682) 19.169 18.903 ( -7.548 -21.241 -9.755) 24.563 19.165 ( 10.261 -19.025 -3.218) 21.854 ======================= Grid point 161 (80/215) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -3.744 6.297 -7.572) 10.535 2.807 ( -8.014 3.298 0.922) 8.715 2.882 ( -8.826 8.317 -0.851) 12.157 3.018 ( 0.546 -1.212 -2.524) 2.852 3.111 ( -0.233 -3.856 7.045) 8.035 3.409 ( -3.235 6.183 4.180) 8.134 3.514 ( 0.246 3.483 0.781) 3.578 3.564 ( 1.398 1.049 -2.980) 3.455 3.693 ( 1.399 1.485 -0.923) 2.239 3.795 ( 5.164 -7.522 -3.597) 9.807 4.123 ( -4.680 -1.330 4.133) 6.384 4.411 ( -5.406 -4.369 8.504) 10.983 4.446 ( 0.267 11.860 2.557) 12.135 4.620 ( -7.069 13.678 -3.889) 15.881 5.012 ( -2.427 1.574 -3.927) 4.878 5.129 ( 7.192 2.403 3.043) 8.171 5.316 ( -2.892 3.022 -2.608) 4.929 5.343 ( -3.089 5.004 1.707) 6.123 5.467 ( -0.670 0.385 -1.133) 1.372 5.624 ( 3.196 -3.744 -0.664) 4.967 5.655 ( 2.024 -1.994 -1.490) 3.209 5.847 ( 2.404 -1.607 -2.152) 3.605 6.588 ( -4.224 6.494 3.857) 8.654 6.744 ( -4.317 1.748 -0.534) 4.688 6.837 ( -2.701 1.495 -0.909) 3.218 7.090 ( 4.706 6.111 0.599) 7.736 7.271 ( 4.132 1.708 -2.147) 4.960 7.348 ( 2.968 -3.055 6.709) 7.947 7.705 ( -2.391 0.717 1.021) 2.697 7.800 ( -0.795 -0.672 1.463) 1.795 8.784 ( 4.376 -5.217 1.728) 7.025 8.917 ( 1.938 -3.000 -5.922) 6.916 9.089 ( 8.431 -4.196 0.640) 9.439 9.271 ( 1.075 -1.472 -0.853) 2.012 9.486 ( 13.395 -8.810 -8.491) 18.142 9.595 ( 3.897 -10.938 -3.333) 12.081 9.681 ( 5.858 -8.154 1.517) 10.154 9.915 ( 3.741 -8.451 5.734) 10.876 10.054 ( 2.411 0.503 -5.673) 6.185 10.291 ( -3.719 -1.796 2.104) 4.635 10.317 ( -3.127 -0.386 -14.596) 14.932 10.428 ( 6.339 -6.407 -11.635) 14.718 11.606 ( -2.228 1.188 1.566) 2.971 11.696 ( 0.013 -0.553 -0.770) 0.948 12.120 ( -3.562 7.431 -4.827) 9.550 12.233 ( -8.389 4.358 2.077) 9.679 12.260 ( 1.053 3.569 -0.363) 3.739 12.682 ( -1.938 -0.738 4.042) 4.543 12.727 ( 1.871 -0.288 8.733) 8.936 12.842 ( -2.173 -2.500 4.281) 5.413 13.258 ( -11.088 14.802 9.211) 20.661 13.370 ( -11.223 9.829 5.025) 15.742 16.240 ( 1.458 -1.243 -3.375) 3.881 16.297 ( 2.540 -2.686 -2.092) 4.247 17.659 ( -0.728 2.196 12.268) 12.484 17.811 ( -4.051 1.959 -3.869) 5.935 17.879 ( -5.259 5.994 11.127) 13.689 18.472 ( -6.146 7.241 6.916) 11.748 18.690 ( 7.366 -7.855 -19.859) 22.591 19.318 ( 13.664 -13.832 -3.711) 19.794 ======================= Grid point 162 (81/215) ======================= q-point: (-0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -10.454 13.960 -7.170) 18.857 2.623 ( -13.680 17.998 1.549) 22.660 2.812 ( -0.559 1.054 0.642) 1.355 3.052 ( 0.728 -3.579 3.518) 5.071 3.181 ( -1.575 -8.676 4.206) 9.770 3.322 ( -7.869 8.502 -1.152) 11.642 3.508 ( -3.776 2.128 -2.108) 4.820 3.559 ( 2.504 -1.951 -1.106) 3.361 3.714 ( 2.924 -1.750 0.099) 3.409 3.846 ( 2.119 -9.181 2.962) 9.877 4.000 ( -11.929 7.468 -1.483) 14.152 4.370 ( -4.945 4.807 2.002) 7.181 4.445 ( -1.057 10.686 0.389) 10.745 4.627 ( 6.690 1.801 3.040) 7.566 4.927 ( -2.810 2.813 -4.000) 5.640 5.174 ( -5.491 3.065 -0.470) 6.306 5.285 ( 6.222 1.503 0.789) 6.449 5.421 ( 1.858 -1.004 -1.406) 2.537 5.467 ( 5.088 5.074 3.698) 8.082 5.629 ( 2.679 -2.301 -4.539) 5.751 5.714 ( 3.175 -5.608 0.118) 6.446 5.879 ( 3.578 -2.612 0.053) 4.430 6.491 ( -8.507 5.290 -0.786) 10.049 6.678 ( -4.117 -2.854 2.035) 5.407 6.787 ( -1.334 4.625 -2.031) 5.224 7.095 ( 0.024 4.996 -3.898) 6.337 7.317 ( 2.019 1.445 1.073) 2.705 7.478 ( 2.109 -2.509 5.290) 6.223 7.673 ( -4.151 2.302 1.821) 5.084 7.800 ( -1.487 0.272 1.567) 2.178 8.884 ( 7.932 -2.527 -5.589) 10.027 8.932 ( 5.031 0.013 3.992) 6.422 9.249 ( 8.219 -5.019 2.929) 10.066 9.277 ( 2.302 -1.234 -4.510) 5.212 9.536 ( 5.734 -5.074 -6.767) 10.219 9.648 ( 5.647 -5.752 -2.261) 8.372 9.774 ( 3.231 -9.483 1.272) 10.099 9.940 ( -0.038 -1.928 -3.479) 3.978 10.119 ( -6.108 3.003 -2.885) 7.392 10.209 ( 18.629 -6.084 -3.014) 19.828 10.272 ( -0.661 -1.238 2.058) 2.491 10.514 ( 10.737 -6.064 -0.339) 12.336 11.579 ( -2.585 1.946 0.621) 3.295 11.715 ( 1.874 0.904 0.380) 2.115 11.980 ( -5.530 5.349 -6.055) 9.791 12.120 ( -5.293 1.975 -0.389) 5.663 12.246 ( -3.093 2.717 -0.434) 4.139 12.638 ( -7.969 2.226 3.733) 9.078 12.753 ( -2.038 1.767 -2.022) 3.372 12.941 ( 2.269 -9.224 8.519) 12.760 13.147 ( -11.780 13.184 4.881) 18.342 13.195 ( -13.293 8.420 0.200) 15.737 16.233 ( 1.842 0.429 -2.601) 3.216 16.328 ( 3.121 -2.143 -0.681) 3.847 17.663 ( -8.490 -1.794 -2.761) 9.106 17.800 ( -4.347 -3.096 12.673) 13.751 17.922 ( -5.861 -0.072 9.131) 10.850 18.315 ( -9.020 -4.769 2.855) 10.595 18.729 ( 15.202 13.543 -14.515) 25.004 19.515 ( 15.775 -10.378 -2.910) 19.105 ======================= Grid point 163 (82/215) ======================= q-point: (-0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -14.296 19.378 -2.297) 24.190 2.448 ( -10.129 24.967 0.534) 26.949 2.844 ( 1.953 2.392 1.775) 3.561 3.058 ( -6.205 -2.110 2.845) 7.145 3.120 ( -7.887 -0.089 -0.486) 7.902 3.167 ( -7.165 4.399 -2.711) 8.834 3.409 ( -4.648 3.279 0.357) 5.699 3.584 ( 5.259 -4.273 -4.994) 8.417 3.747 ( -1.306 -1.810 -1.250) 2.558 3.824 ( -2.531 9.541 -1.570) 9.996 3.981 ( 4.113 -10.840 10.512) 15.650 4.333 ( -1.174 1.101 -2.783) 3.215 4.466 ( 1.597 7.776 2.644) 8.367 4.724 ( 1.150 -4.568 -0.808) 4.780 4.887 ( 1.917 2.409 2.043) 3.695 5.098 ( -3.810 4.339 0.831) 5.834 5.364 ( 0.199 -2.238 -4.359) 4.904 5.376 ( -2.886 4.140 2.797) 5.770 5.605 ( 6.656 2.250 -1.369) 7.158 5.655 ( 8.676 -2.962 -5.555) 10.719 5.770 ( 4.686 -5.243 1.701) 7.235 5.934 ( 0.835 -3.067 1.376) 3.464 6.374 ( -4.339 3.859 -0.162) 5.809 6.660 ( -1.723 -3.800 3.998) 5.779 6.748 ( -1.229 4.208 -1.436) 4.613 7.022 ( -2.699 2.740 -5.480) 6.695 7.349 ( 0.587 1.465 0.674) 1.716 7.505 ( -3.814 -2.241 1.846) 4.794 7.613 ( -4.377 4.373 1.224) 6.308 7.785 ( -2.611 0.107 1.688) 3.112 8.955 ( 8.477 0.805 -3.604) 9.247 9.109 ( 6.856 3.329 5.526) 9.414 9.245 ( 2.551 -2.663 -3.383) 5.005 9.394 ( 5.739 -3.829 1.305) 7.021 9.573 ( 6.094 1.121 -3.141) 6.947 9.723 ( 5.880 -7.609 -1.516) 9.735 9.772 ( -1.753 -6.507 -1.839) 6.985 9.918 ( -3.426 1.090 1.411) 3.862 10.016 ( -0.179 1.295 -1.807) 2.230 10.219 ( -2.743 -0.872 -1.038) 3.060 10.647 ( 21.916 -4.821 6.907) 23.479 10.679 ( 10.061 0.484 3.419) 10.637 11.548 ( -0.242 -0.389 -1.385) 1.459 11.752 ( 2.590 1.842 0.340) 3.196 11.816 ( -7.395 3.465 -4.744) 9.444 12.070 ( -4.722 7.812 2.547) 9.477 12.176 ( -1.450 -2.850 -2.066) 3.806 12.533 ( -8.029 0.272 1.714) 8.215 12.659 ( -1.992 3.729 -9.218) 10.141 12.956 ( -14.417 7.732 0.632) 16.372 12.990 ( -2.210 2.051 -1.613) 3.419 13.099 ( -3.101 -8.221 7.049) 11.265 16.243 ( 1.912 2.177 -0.958) 3.052 16.376 ( 2.887 -1.494 0.470) 3.284 17.460 ( -13.453 -4.730 -1.307) 14.320 17.711 ( -15.247 -12.718 0.903) 19.876 17.886 ( -2.126 6.720 0.096) 7.049 18.375 ( 2.908 -7.828 6.312) 10.467 18.816 ( 11.277 20.600 -4.932) 23.997 19.751 ( 14.876 -9.091 1.028) 17.464 ======================= Grid point 164 (83/215) ======================= q-point: (-0.08 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -12.001 22.844 3.640) 26.060 2.280 ( -5.562 29.901 -8.366) 31.543 2.891 ( 0.436 1.318 0.815) 1.609 2.940 ( -7.276 -6.357 0.735) 9.689 3.003 ( -5.024 11.489 1.538) 12.634 3.082 ( -3.909 7.847 2.795) 9.202 3.383 ( -0.854 0.297 0.829) 1.227 3.610 ( 2.353 -0.549 -1.464) 2.825 3.719 ( 3.670 1.462 -3.334) 5.169 3.835 ( 2.092 -2.974 -0.810) 3.725 4.112 ( -0.503 -14.387 0.230) 14.397 4.249 ( -1.066 5.307 -2.980) 6.179 4.555 ( 0.988 2.333 7.559) 7.972 4.716 ( 0.657 -3.580 1.621) 3.985 4.990 ( 3.948 -0.488 4.725) 6.177 5.058 ( -3.787 5.912 1.420) 7.163 5.227 ( -3.868 -1.099 -7.953) 8.912 5.393 ( -2.799 1.535 6.507) 7.248 5.681 ( 5.718 -0.850 -4.446) 7.293 5.729 ( 6.986 -1.559 -1.641) 7.343 5.885 ( 6.093 -4.531 0.334) 7.601 5.921 ( -2.705 -1.898 -0.198) 3.310 6.348 ( -0.376 4.104 0.222) 4.127 6.699 ( -0.978 0.131 1.304) 1.636 6.739 ( 3.279 -0.863 1.699) 3.793 6.886 ( -5.998 -0.116 -5.846) 8.377 7.348 ( -0.686 1.753 -0.489) 1.945 7.432 ( -4.894 -0.049 0.870) 4.971 7.586 ( -1.655 6.160 1.994) 6.683 7.761 ( -2.682 -0.491 1.888) 3.316 9.047 ( 5.781 3.017 -2.608) 7.023 9.173 ( 0.258 1.549 2.943) 3.336 9.372 ( 7.168 -5.702 0.551) 9.176 9.460 ( 3.590 3.318 2.771) 5.619 9.654 ( 6.691 -2.018 -2.443) 7.404 9.697 ( -2.995 -1.842 -1.603) 3.864 9.807 ( 3.061 -1.508 0.845) 3.515 9.864 ( -4.231 1.121 3.330) 5.500 10.048 ( 1.379 -1.625 1.369) 2.533 10.148 ( -2.582 -2.220 -3.704) 5.031 10.734 ( -2.278 15.883 4.896) 16.776 11.142 ( 21.652 -8.830 7.645) 24.601 11.559 ( 3.226 -7.131 -0.787) 7.867 11.634 ( -10.920 0.328 -0.994) 10.970 11.820 ( 4.551 4.066 0.454) 6.120 11.981 ( -6.199 9.450 0.304) 11.305 12.199 ( 4.432 -1.941 -0.921) 4.925 12.462 ( -1.242 -1.891 -1.113) 2.522 12.490 ( -2.749 5.310 -12.677) 14.016 12.757 ( -10.511 7.661 1.238) 13.066 12.946 ( -0.059 1.345 -1.953) 2.372 13.113 ( -3.152 -16.327 2.248) 16.780 16.271 ( 1.503 3.562 1.046) 4.005 16.426 ( 1.853 -0.711 1.456) 2.461 17.244 ( -11.053 -5.223 -0.071) 12.225 17.493 ( -9.365 -11.583 -1.758) 14.999 17.821 ( -0.352 7.535 -8.478) 11.348 18.372 ( 0.971 -8.209 -12.727) 15.176 19.020 ( 6.328 19.644 14.329) 25.125 19.983 ( 8.767 -9.286 5.277) 13.818 ======================= Grid point 165 (84/215) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -0.717 19.842 3.972) 20.248 2.625 ( -1.655 -13.780 1.021) 13.916 2.668 ( 0.876 19.264 -10.729) 22.067 2.928 ( -1.126 -4.830 -9.160) 10.416 3.021 ( 1.265 6.026 -6.738) 9.128 3.165 ( 3.072 -0.074 -1.565) 3.448 3.359 ( -0.449 0.028 -4.999) 5.019 3.465 ( 0.873 -12.201 -16.073) 20.198 3.725 ( -0.231 -0.907 6.469) 6.537 3.764 ( -2.067 -4.690 3.525) 6.220 4.050 ( -1.425 10.089 9.688) 14.060 4.238 ( -2.292 -6.840 6.629) 9.797 4.700 ( 2.070 4.566 8.237) 9.642 4.789 ( 3.246 -3.449 9.110) 10.267 5.114 ( -6.612 10.836 0.016) 12.694 5.151 ( 2.699 5.251 2.391) 6.370 5.203 ( 4.026 -0.292 -1.596) 4.340 5.331 ( -5.293 -7.311 5.583) 10.613 5.728 ( 0.137 2.607 -1.675) 3.102 5.780 ( -0.266 -0.271 0.753) 0.844 5.835 ( 3.466 -3.110 -1.056) 4.775 5.854 ( 2.565 -3.837 0.068) 4.616 6.429 ( -4.140 6.737 -5.254) 9.494 6.561 ( -5.896 -5.407 -6.875) 10.548 6.792 ( 3.729 2.761 0.897) 4.726 6.851 ( 7.216 -2.310 1.327) 7.692 7.391 ( -0.819 3.444 1.122) 3.713 7.434 ( -0.267 -0.144 2.024) 2.047 7.698 ( -1.829 3.499 2.858) 4.874 7.737 ( -1.532 -0.760 3.157) 3.591 9.074 ( 0.653 -0.128 -2.960) 3.034 9.155 ( 0.253 -6.801 -3.536) 7.669 9.338 ( -1.835 3.611 3.762) 5.528 9.458 ( -1.418 -5.131 1.285) 5.476 9.688 ( 3.489 2.488 -3.897) 5.792 9.747 ( 3.624 -1.607 -4.361) 5.893 9.882 ( -2.818 2.579 5.886) 7.017 9.913 ( -1.974 0.831 3.995) 4.533 10.023 ( -1.136 3.728 3.015) 4.927 10.104 ( 2.487 -2.900 2.236) 4.427 11.112 ( -6.461 14.966 4.106) 16.810 11.304 ( -16.688 -2.657 1.880) 17.003 11.385 ( 13.335 -5.518 4.024) 14.982 11.456 ( 6.672 -8.109 4.608) 11.467 11.977 ( 1.090 6.000 -2.531) 6.602 12.060 ( 1.719 0.018 -1.202) 2.097 12.229 ( -1.687 4.472 -2.627) 5.454 12.356 ( 0.993 -4.874 -4.602) 6.776 12.492 ( 3.982 6.546 -8.096) 11.147 12.687 ( -2.735 -11.844 -4.181) 12.855 12.880 ( -0.527 4.244 3.377) 5.449 12.938 ( 1.117 -1.075 0.359) 1.591 16.392 ( 0.254 3.476 2.900) 4.534 16.443 ( -0.400 -1.401 2.707) 3.074 17.101 ( 0.221 0.316 0.314) 0.497 17.190 ( -0.250 -7.990 -0.726) 8.027 17.853 ( 0.805 8.041 -15.957) 17.887 18.024 ( 0.158 -8.154 -18.013) 19.773 19.605 ( -0.681 15.620 14.119) 21.067 19.896 ( -1.083 -12.217 9.568) 15.556 ======================= Grid point 166 (85/215) ======================= q-point: ( 0.08 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 7.978 15.389 4.740) 17.971 2.587 ( 3.455 12.204 -5.976) 14.021 2.681 ( 6.794 -6.843 -2.863) 10.059 2.823 ( 0.225 -5.560 -7.760) 9.549 2.956 ( 2.471 6.478 -8.410) 10.900 3.214 ( 7.932 -8.886 -6.867) 13.749 3.278 ( 1.717 -0.989 -9.594) 9.797 3.341 ( 3.789 -4.612 -8.503) 10.388 3.776 ( -3.414 -1.024 7.503) 8.306 3.790 ( -2.226 -1.773 5.771) 6.434 4.114 ( -3.146 7.090 7.738) 10.957 4.247 ( -4.359 -4.948 4.259) 7.850 4.825 ( -0.424 4.492 6.796) 8.157 4.920 ( -0.084 -4.184 6.817) 7.999 5.052 ( -3.048 15.970 5.618) 17.202 5.175 ( -1.000 4.525 2.285) 5.167 5.248 ( 4.700 0.276 -3.052) 5.611 5.370 ( 0.102 -8.797 4.773) 10.009 5.679 ( -2.946 3.412 -1.865) 4.878 5.753 ( -3.099 -2.500 -1.091) 4.128 5.862 ( -3.646 -0.939 2.341) 4.433 5.880 ( -0.464 -3.030 3.092) 4.354 6.325 ( 1.514 4.325 -4.877) 6.692 6.427 ( 0.327 -5.035 -5.324) 7.335 6.875 ( 4.805 5.360 -0.305) 7.205 6.982 ( 8.109 -4.281 -2.065) 9.400 7.391 ( -1.516 4.780 1.874) 5.353 7.455 ( -0.391 -0.812 1.896) 2.099 7.708 ( -1.282 3.715 3.123) 5.019 7.755 ( -0.840 -0.628 2.757) 2.950 9.009 ( -2.281 0.586 -4.531) 5.106 9.076 ( -4.025 -6.641 -4.393) 8.922 9.347 ( -1.701 0.121 3.067) 3.509 9.408 ( -4.610 -3.688 -0.518) 5.926 9.683 ( 2.011 2.509 -4.699) 5.693 9.739 ( 0.379 -1.650 -5.179) 5.448 9.887 ( -4.739 2.485 4.980) 7.310 9.919 ( -2.881 -0.373 6.226) 6.870 10.090 ( 0.998 5.056 8.064) 9.570 10.190 ( 1.621 -3.577 6.943) 7.977 10.956 ( -15.372 4.942 4.830) 16.854 11.021 ( -22.218 -3.150 6.249) 23.294 11.596 ( 7.517 1.873 2.906) 8.274 11.682 ( 9.951 -4.536 2.454) 11.208 11.922 ( -2.074 7.170 -3.721) 8.340 12.051 ( -2.599 -4.753 -4.732) 7.193 12.180 ( 3.321 6.329 1.815) 7.374 12.321 ( 3.035 -4.773 -2.169) 6.057 12.527 ( 8.784 2.388 -9.810) 13.382 12.632 ( 2.298 -7.365 -6.858) 10.322 12.953 ( 5.676 4.680 0.451) 7.371 12.995 ( 5.608 0.398 -0.487) 5.643 16.412 ( -2.684 2.550 4.009) 5.457 16.445 ( -3.344 -0.676 3.270) 4.726 17.206 ( 11.174 -1.955 0.956) 11.384 17.251 ( 8.643 -6.213 -1.634) 10.769 17.689 ( 2.851 6.627 -17.209) 18.660 17.828 ( 2.860 -6.421 -18.784) 20.056 19.691 ( -9.100 12.020 14.597) 20.985 19.913 ( -10.214 -9.207 9.250) 16.573 ======================= Grid point 167 (86/215) ======================= q-point: ( 0.17 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 7.452 7.939 3.326) 11.385 2.626 ( 6.129 3.668 -1.439) 7.286 2.741 ( 5.570 -2.392 -6.321) 8.758 2.796 ( 6.129 -4.993 -2.597) 8.321 2.969 ( 10.475 12.400 -4.060) 16.732 3.267 ( 8.560 -5.587 -5.121) 11.433 3.296 ( 11.144 -6.191 -8.434) 15.286 3.335 ( 5.445 -1.892 -7.051) 9.108 3.791 ( -4.395 0.671 6.579) 7.941 3.806 ( -3.048 -0.868 4.671) 5.644 4.122 ( -5.022 3.313 5.522) 8.166 4.201 ( -5.909 -3.341 2.833) 7.355 4.793 ( -6.326 5.551 0.567) 8.435 4.902 ( -6.844 -3.743 2.160) 8.094 5.138 ( 0.471 13.293 6.131) 14.646 5.228 ( 3.943 4.882 2.004) 6.588 5.284 ( 4.319 -0.019 -1.461) 4.560 5.348 ( -5.417 -5.993 -1.473) 8.211 5.613 ( -4.404 3.908 0.539) 5.912 5.659 ( -5.345 -2.376 -1.562) 6.054 5.819 ( -4.788 1.524 4.251) 6.582 5.902 ( -1.664 -4.681 4.233) 6.527 6.387 ( 8.486 2.960 -1.261) 9.076 6.466 ( 7.645 -4.315 -1.398) 8.889 6.918 ( 2.697 5.463 -2.725) 6.674 7.035 ( 4.192 -5.440 -6.575) 9.508 7.387 ( -2.165 5.940 3.164) 7.070 7.459 ( -1.867 -0.860 2.284) 3.072 7.712 ( -1.727 3.365 1.301) 4.000 7.759 ( -1.622 -0.739 0.939) 2.015 8.935 ( -3.056 -0.411 -1.807) 3.574 8.976 ( -2.844 -4.813 -0.898) 5.662 9.305 ( -5.647 1.961 0.953) 6.054 9.375 ( -1.199 -4.871 2.809) 5.749 9.608 ( -7.290 1.420 -5.349) 9.153 9.643 ( -2.299 -2.076 -3.992) 5.053 9.873 ( -2.399 2.538 2.182) 4.118 9.937 ( -1.345 -3.006 1.066) 3.461 10.174 ( -3.326 3.485 6.174) 7.831 10.258 ( -5.140 -3.961 5.899) 8.769 10.813 ( -12.457 -0.238 13.720) 18.533 10.819 ( -14.886 -0.572 15.959) 21.832 11.643 ( -1.028 4.577 -1.307) 4.870 11.744 ( -1.661 -4.294 -0.492) 4.630 11.911 ( 6.236 4.876 -6.802) 10.437 12.007 ( 4.232 -3.666 -4.538) 7.207 12.304 ( 7.219 4.172 1.953) 8.563 12.408 ( 6.814 -5.723 1.120) 8.969 12.528 ( 5.809 2.872 -8.499) 10.687 12.597 ( 3.922 -3.167 -7.615) 9.132 13.032 ( 6.661 5.924 -4.780) 10.115 13.080 ( 7.320 1.218 -3.905) 8.386 16.399 ( -4.017 1.202 3.517) 5.472 16.419 ( -4.308 -0.606 3.255) 5.433 17.360 ( 8.946 1.291 -4.108) 9.928 17.451 ( 13.798 -6.965 2.373) 15.637 17.592 ( 8.362 7.696 -13.595) 17.719 17.763 ( 12.100 -8.318 -11.979) 18.950 19.636 ( -16.624 7.853 12.266) 22.101 19.780 ( -17.452 -5.987 6.607) 19.598 ======================= Grid point 168 (87/215) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 3.529 1.666 0.964) 4.020 2.692 ( 4.264 -1.220 -0.231) 4.441 2.840 ( 10.763 3.240 -0.432) 11.249 2.904 ( 8.514 -2.295 0.050) 8.818 3.188 ( 11.845 10.595 -0.232) 15.894 3.276 ( 3.589 3.947 -4.066) 6.708 3.337 ( 5.198 -2.170 -6.031) 8.253 3.464 ( 16.407 -10.220 -5.876) 20.203 3.791 ( -2.327 1.103 0.257) 2.588 3.804 ( -0.817 0.318 3.487) 3.595 4.088 ( -6.612 1.369 5.831) 8.922 4.147 ( -5.389 -3.387 4.851) 8.002 4.687 ( -6.556 6.545 -0.237) 9.267 4.798 ( -7.019 -3.299 -0.268) 7.760 5.130 ( -2.274 4.577 -1.762) 5.406 5.196 ( -5.100 -1.585 -5.803) 7.886 5.338 ( 5.021 4.638 1.110) 6.925 5.382 ( 6.195 2.009 2.146) 6.857 5.542 ( -3.207 2.800 -1.091) 4.394 5.600 ( -3.091 -1.848 2.958) 4.660 5.810 ( -3.252 3.797 4.929) 7.021 5.916 ( -2.495 -4.591 4.148) 6.671 6.494 ( 5.641 3.223 -1.713) 6.719 6.573 ( 6.065 -4.097 -1.518) 7.475 6.904 ( 0.262 3.001 -3.989) 4.999 6.971 ( -0.874 -3.521 -8.837) 9.553 7.405 ( -1.165 5.272 4.971) 7.339 7.458 ( -2.534 0.120 4.326) 5.015 7.688 ( -1.374 1.515 -0.279) 2.065 7.722 ( -2.202 -1.192 -1.394) 2.866 8.865 ( -5.034 2.654 1.259) 5.829 8.969 ( -0.928 -6.582 2.820) 7.221 9.239 ( -5.711 4.335 2.592) 7.624 9.378 ( -3.165 -3.840 2.041) 5.378 9.403 ( -9.226 0.392 -5.293) 10.643 9.549 ( -2.952 -7.541 -6.532) 10.404 9.834 ( -6.828 1.026 3.914) 7.937 9.871 ( -8.987 -2.861 3.738) 10.145 10.115 ( -3.007 0.642 -3.224) 4.455 10.161 ( -7.338 -3.982 -0.417) 8.359 10.914 ( -1.986 0.644 20.627) 20.733 10.927 ( -2.782 -0.340 24.595) 24.754 11.606 ( 0.854 5.302 -4.345) 6.908 11.726 ( 0.585 -5.692 -1.316) 5.872 11.898 ( 3.479 4.517 -8.011) 9.833 11.997 ( 2.374 -4.685 -7.598) 9.237 12.374 ( 3.907 6.468 -6.909) 10.239 12.474 ( 4.401 -3.514 -5.294) 7.729 12.596 ( 7.302 2.448 -0.328) 7.708 12.651 ( 8.340 -2.628 2.056) 8.982 13.056 ( 4.988 7.050 -6.798) 10.990 13.129 ( 6.220 0.229 -6.153) 8.752 16.367 ( -3.805 0.128 2.083) 4.340 16.381 ( -4.310 -0.984 2.173) 4.926 17.458 ( 9.218 7.868 -1.603) 12.224 17.566 ( 9.507 3.008 -6.697) 12.012 17.776 ( 16.405 -2.412 2.283) 16.738 17.910 ( 17.216 -9.883 -7.318) 21.157 19.444 ( -22.018 3.129 8.878) 23.946 19.516 ( -22.113 -3.862 2.839) 22.626 ======================= Grid point 169 (88/215) ======================= q-point: ( 0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 5.894 1.672 3.603) 7.107 2.789 ( 4.354 -1.532 4.791) 6.652 3.003 ( 9.011 2.870 -1.629) 9.596 3.034 ( 6.436 -0.877 -1.979) 6.790 3.132 ( -0.917 5.863 -9.260) 10.998 3.247 ( 0.467 -3.323 -4.760) 5.824 3.539 ( 9.828 7.877 2.676) 12.877 3.637 ( 10.919 0.733 -3.638) 11.532 3.765 ( 2.075 0.578 0.752) 2.282 3.827 ( 0.625 -4.603 -0.318) 4.656 4.065 ( -7.089 1.830 8.879) 11.508 4.146 ( -4.015 -5.391 8.066) 10.500 4.592 ( -3.530 6.086 -1.417) 7.177 4.681 ( -4.284 -1.843 -3.964) 6.121 5.066 ( -3.617 0.142 -4.107) 5.475 5.081 ( -1.081 -1.157 -1.567) 2.228 5.420 ( 5.347 4.120 -0.809) 6.798 5.489 ( 5.285 -1.963 -1.631) 5.869 5.518 ( 1.140 7.630 1.247) 7.815 5.609 ( -1.092 0.779 2.866) 3.164 5.828 ( -0.683 3.042 4.797) 5.721 5.923 ( -1.891 -4.440 4.066) 6.311 6.517 ( 0.546 2.999 -2.560) 3.980 6.593 ( -0.002 -4.000 -3.143) 5.087 6.821 ( -4.456 1.624 -5.919) 7.584 6.859 ( -1.537 -1.788 -4.253) 4.862 7.440 ( -1.829 4.205 4.023) 6.100 7.474 ( -2.387 0.773 4.618) 5.256 7.672 ( -0.163 0.402 0.030) 0.435 7.697 ( 1.323 -2.125 -0.318) 2.524 8.798 ( -5.125 5.513 1.064) 7.602 8.975 ( -2.369 -9.658 1.926) 10.129 9.131 ( -8.888 3.272 -1.174) 9.544 9.248 ( -3.329 0.226 -2.988) 4.479 9.289 ( -9.920 -6.701 -0.295) 11.975 9.382 ( -8.229 -8.118 -5.098) 12.634 9.789 ( -5.294 1.489 6.986) 8.891 9.830 ( -4.372 -2.836 6.787) 8.557 10.043 ( 0.317 0.979 -5.346) 5.444 10.086 ( 0.256 -2.879 -1.936) 3.479 11.101 ( 0.151 2.174 10.613) 10.835 11.171 ( 0.218 -4.287 16.575) 17.122 11.566 ( 2.481 6.242 -6.211) 9.149 11.675 ( 1.550 -3.712 -8.887) 9.756 11.919 ( 2.014 0.462 3.082) 3.711 11.955 ( 0.170 -2.685 -1.159) 2.929 12.340 ( 3.351 8.398 -6.508) 11.141 12.470 ( 3.887 -3.709 -5.084) 7.397 12.710 ( 7.125 4.811 -2.832) 9.052 12.792 ( 6.924 -3.080 -2.276) 7.913 13.074 ( 2.496 6.851 1.683) 7.483 13.165 ( 4.198 -1.179 -0.535) 4.394 16.327 ( -3.144 -0.606 0.556) 3.250 16.335 ( -3.093 -1.328 0.369) 3.386 17.642 ( 12.990 10.935 2.617) 17.180 17.689 ( 13.654 8.824 -4.718) 16.928 18.051 ( 12.848 -5.867 3.175) 14.477 18.087 ( 13.176 -6.991 -4.572) 15.601 19.151 ( -23.627 -3.160 1.391) 23.878 19.159 ( -24.114 -3.500 3.442) 24.609 ======================= Grid point 170 (89/215) ======================= q-point: ( 0.42 0.44 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 2.329 1.255 -3.622) 4.485 2.928 ( 4.995 2.014 8.528) 10.086 2.950 ( -4.108 -1.090 -6.949) 8.146 3.009 ( -1.778 -2.401 4.509) 5.409 3.176 ( 11.847 6.392 -6.672) 15.024 3.281 ( 8.547 -2.932 -7.398) 11.678 3.608 ( 1.074 13.428 -0.548) 13.482 3.682 ( 0.235 5.347 -1.192) 5.483 3.780 ( 0.259 -1.570 -4.427) 4.704 3.905 ( 0.880 -11.303 -1.041) 11.385 4.037 ( -6.874 6.221 13.138) 16.080 4.188 ( -4.817 -7.593 10.604) 13.904 4.575 ( 2.643 4.508 0.435) 5.243 4.612 ( 1.180 0.801 -2.366) 2.762 4.990 ( -1.259 2.013 -2.097) 3.168 5.067 ( 0.290 -4.870 -0.557) 4.910 5.498 ( 4.171 4.606 0.685) 6.252 5.536 ( 2.095 2.123 -0.057) 2.984 5.545 ( 1.111 2.522 -2.401) 3.655 5.605 ( -1.116 1.902 1.437) 2.632 5.880 ( 1.376 2.024 0.317) 2.468 5.949 ( 0.100 -4.155 0.825) 4.237 6.473 ( -2.046 3.337 -0.175) 3.918 6.550 ( -1.702 -3.985 1.162) 4.486 6.720 ( -2.107 4.031 -0.708) 4.603 6.814 ( -0.246 -3.943 -0.836) 4.038 7.430 ( -2.323 3.095 0.408) 3.891 7.458 ( -3.342 0.825 1.026) 3.592 7.699 ( 1.128 0.726 1.921) 2.343 7.731 ( 1.349 -2.561 1.078) 3.088 8.735 ( -1.903 4.395 -1.554) 5.035 8.898 ( -6.704 -9.699 -3.007) 12.167 9.029 ( -0.766 1.178 -0.845) 1.640 9.127 ( -7.165 -4.753 -1.363) 8.705 9.196 ( -1.845 -5.092 0.402) 5.431 9.230 ( -6.974 -6.796 0.665) 9.761 9.746 ( -2.607 2.307 -5.889) 6.841 9.801 ( -2.490 -3.435 -4.158) 5.940 10.063 ( 2.369 3.576 6.121) 7.475 10.128 ( 0.911 -2.082 6.189) 6.593 11.062 ( -0.787 1.542 -15.883) 15.977 11.137 ( -1.481 -5.392 -18.852) 19.664 11.649 ( 1.457 2.121 11.715) 11.994 11.686 ( 1.971 -1.406 4.999) 5.554 11.942 ( 0.336 2.666 1.585) 3.119 11.996 ( -0.077 -2.206 4.411) 4.933 12.383 ( 3.798 8.846 4.306) 10.546 12.521 ( 3.439 -3.807 3.951) 6.476 12.732 ( 5.018 4.990 -9.437) 11.796 12.805 ( 4.626 -2.074 -10.143) 11.339 13.187 ( 0.493 5.894 12.901) 14.192 13.270 ( 2.172 -1.342 9.674) 10.005 16.283 ( -1.936 -0.804 -0.877) 2.273 16.293 ( -1.430 -1.725 -1.376) 2.629 17.850 ( 13.778 13.602 -5.356) 20.089 17.924 ( 15.224 13.397 4.276) 20.725 18.133 ( 5.046 -0.233 -9.683) 10.922 18.311 ( 8.056 -6.905 9.492) 14.237 18.753 ( -21.465 -5.770 -4.714) 22.721 18.862 ( -19.504 -12.690 4.900) 23.779 ======================= Grid point 171 (90/215) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -3.547 1.231 -6.508) 7.513 2.817 ( -3.448 -2.346 -4.923) 6.452 3.096 ( 3.310 2.971 6.092) 7.543 3.143 ( 4.252 -1.444 8.866) 9.939 3.234 ( 5.280 5.805 -9.216) 12.104 3.309 ( 8.127 -1.088 -9.271) 12.377 3.573 ( -5.415 5.703 1.294) 7.970 3.658 ( -4.111 -1.792 -2.924) 5.354 3.716 ( 1.087 6.111 -1.956) 6.508 3.826 ( -1.309 -3.235 -4.018) 5.322 4.100 ( -5.370 2.732 9.959) 11.640 4.225 ( -3.395 -7.218 7.762) 11.130 4.636 ( -0.020 5.809 4.963) 7.641 4.689 ( 4.876 1.356 5.266) 7.303 4.982 ( 2.025 2.490 -0.528) 3.252 5.067 ( -0.159 -5.559 -0.094) 5.562 5.493 ( -1.563 3.596 -1.951) 4.380 5.507 ( -1.557 2.216 -2.712) 3.833 5.584 ( 2.240 3.917 1.762) 4.844 5.649 ( 1.332 1.062 2.631) 3.134 5.824 ( -3.705 0.263 -6.584) 7.560 5.869 ( -5.080 -3.591 -7.033) 9.390 6.534 ( 3.587 3.541 7.275) 8.850 6.614 ( 2.725 -3.633 8.171) 9.348 6.749 ( 3.698 4.328 4.444) 7.221 6.838 ( 2.364 -3.162 2.052) 4.449 7.376 ( -2.361 2.450 -3.429) 4.830 7.404 ( -2.954 0.708 -1.813) 3.537 7.722 ( -0.880 0.329 1.799) 2.030 7.747 ( -0.483 -2.309 0.802) 2.492 8.704 ( -0.050 1.743 -2.420) 2.983 8.791 ( 0.401 -6.329 -3.864) 7.426 9.025 ( -0.746 -0.661 -2.678) 2.857 9.059 ( 2.244 -4.676 -0.988) 5.280 9.187 ( 0.175 -5.090 3.167) 5.997 9.221 ( 2.807 -6.995 2.511) 7.945 9.606 ( -1.822 2.360 -10.757) 11.163 9.681 ( -2.354 -5.208 -8.966) 10.633 10.189 ( 0.624 2.345 8.863) 9.189 10.208 ( -1.019 0.825 7.353) 7.469 10.805 ( -0.730 -0.402 -25.263) 25.277 10.838 ( -1.925 -3.317 -26.634) 26.909 11.706 ( -1.804 1.525 -0.482) 2.411 11.736 ( -0.080 -1.582 -0.912) 1.828 12.063 ( 1.996 0.769 15.514) 15.660 12.076 ( -0.308 -0.074 12.224) 12.228 12.497 ( 0.531 7.876 5.158) 9.430 12.591 ( -0.064 -0.513 -1.792) 1.865 12.715 ( 2.995 2.514 -1.879) 4.338 12.764 ( 3.752 -2.451 -5.662) 7.221 13.350 ( -1.945 6.361 17.421) 18.648 13.424 ( -0.795 -0.234 14.651) 14.674 16.249 ( -0.254 -0.732 -2.135) 2.271 16.260 ( 0.158 -1.826 -2.595) 3.177 17.924 ( -0.666 13.813 -6.273) 15.186 18.036 ( 1.775 10.326 -6.622) 12.395 18.189 ( 4.786 6.710 -0.316) 8.248 18.410 ( -5.165 7.930 1.892) 9.651 18.556 ( 5.561 -20.780 2.081) 21.611 18.682 ( -6.982 -17.200 4.243) 19.042 ======================= Grid point 172 (91/215) ======================= q-point: (-0.42 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -1.715 2.186 -3.634) 4.575 2.742 ( -1.145 -4.399 -1.786) 4.884 3.096 ( -2.569 2.893 -4.301) 5.785 3.156 ( -2.112 -1.763 -9.716) 10.098 3.258 ( -0.496 7.562 -0.131) 7.580 3.358 ( 3.545 -0.358 6.375) 7.303 3.546 ( 2.710 1.287 -0.812) 3.108 3.586 ( -0.738 -1.315 -1.529) 2.148 3.726 ( -0.489 3.498 0.261) 3.542 3.769 ( -1.837 -0.746 -2.709) 3.356 4.109 ( -4.784 3.360 7.692) 9.661 4.245 ( -3.408 -7.959 5.689) 10.360 4.669 ( -4.502 9.201 6.890) 12.345 4.798 ( -1.277 -1.396 5.955) 6.249 5.045 ( 5.813 1.612 0.710) 6.074 5.065 ( 1.211 -0.936 -0.057) 1.531 5.468 ( -0.142 4.657 -1.985) 5.064 5.468 ( 0.355 1.504 -0.658) 1.679 5.580 ( -4.558 -0.041 -3.051) 5.485 5.610 ( -7.054 2.499 -2.249) 7.814 5.673 ( -1.739 1.247 -5.456) 5.860 5.775 ( 1.460 -4.836 -2.356) 5.574 6.646 ( -0.023 4.028 6.152) 7.353 6.740 ( -0.729 -4.366 7.233) 8.480 6.920 ( 4.662 4.200 5.484) 8.334 6.959 ( 9.189 0.555 8.292) 12.390 7.291 ( -0.300 1.457 -6.230) 6.405 7.319 ( -3.060 -0.626 -4.616) 5.573 7.724 ( -1.123 0.517 1.899) 2.266 7.751 ( -0.287 -2.002 1.721) 2.656 8.690 ( 1.919 2.270 -1.091) 3.166 8.806 ( 4.550 -7.439 -3.411) 9.364 9.003 ( 3.775 2.130 -4.363) 6.150 9.112 ( 7.036 -8.335 -4.015) 11.623 9.257 ( 4.084 1.801 2.558) 5.144 9.386 ( 12.522 -8.128 3.923) 15.436 9.497 ( 2.621 -0.485 -7.076) 7.562 9.556 ( -0.868 -7.302 -7.473) 10.484 10.210 ( -3.979 3.881 1.303) 5.709 10.270 ( -2.644 -1.339 5.344) 6.111 10.519 ( 0.320 -0.797 -23.116) 23.132 10.534 ( -0.997 -1.739 -21.967) 22.058 11.660 ( -1.801 1.843 -0.826) 2.706 11.697 ( -1.258 -1.746 -2.069) 2.985 12.224 ( -0.897 2.957 13.925) 14.264 12.265 ( -1.033 -0.559 15.260) 15.305 12.458 ( -2.453 4.178 -6.969) 8.488 12.506 ( 0.385 -1.527 -9.103) 9.238 12.764 ( -0.564 2.969 5.741) 6.488 12.807 ( -0.647 -1.445 5.036) 5.279 13.484 ( -6.237 6.998 16.650) 19.108 13.540 ( -5.850 1.767 14.175) 15.436 16.229 ( 1.404 -0.426 -2.923) 3.270 16.243 ( 1.686 -1.710 -2.991) 3.836 17.773 ( -8.055 9.127 -0.921) 12.208 17.937 ( -7.000 -4.513 -6.334) 10.464 18.106 ( -5.678 14.855 2.587) 16.112 18.471 ( -6.145 -19.707 -4.237) 21.074 18.607 ( 13.911 11.400 2.315) 18.134 18.838 ( 13.913 -12.326 1.408) 18.641 ======================= Grid point 173 (92/215) ======================= q-point: (-0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 0.103 4.582 -1.463) 4.811 2.733 ( -0.134 -4.826 1.109) 4.953 2.982 ( -5.617 0.430 -4.497) 7.208 3.024 ( -2.976 -3.459 -0.665) 4.612 3.209 ( -2.702 14.551 -3.661) 15.246 3.452 ( 1.959 -6.800 0.584) 7.100 3.563 ( -0.079 2.782 -2.360) 3.649 3.589 ( -0.434 1.597 2.555) 3.044 3.696 ( -3.250 -0.908 -0.356) 3.393 3.705 ( -2.761 -1.170 -1.437) 3.325 4.126 ( -4.013 3.158 6.901) 8.584 4.255 ( -5.117 -8.223 8.396) 12.818 4.664 ( -2.408 8.348 3.317) 9.300 4.772 ( -4.394 -0.745 0.618) 4.499 5.110 ( 2.119 6.435 0.784) 6.820 5.171 ( 6.983 0.539 1.533) 7.170 5.379 ( -3.323 2.836 -5.103) 6.718 5.404 ( -7.336 1.174 -4.687) 8.784 5.510 ( 1.653 0.290 -0.439) 1.735 5.548 ( 2.486 -3.692 0.694) 4.505 5.649 ( 0.689 4.930 -1.628) 5.237 5.779 ( 1.059 -5.208 -1.272) 5.465 6.666 ( -4.865 2.345 4.020) 6.733 6.719 ( -7.428 -2.678 1.423) 8.023 6.980 ( -0.571 10.163 -0.091) 10.180 7.188 ( 1.607 -7.949 6.331) 10.288 7.229 ( 3.078 4.892 -3.617) 6.818 7.305 ( 6.547 -1.505 0.164) 6.720 7.733 ( -0.817 1.923 2.212) 3.043 7.774 ( 0.014 -1.768 2.227) 2.843 8.752 ( 6.064 2.100 0.575) 6.443 8.838 ( 4.015 -4.759 -2.328) 6.647 9.052 ( 7.593 1.298 -3.398) 8.419 9.178 ( 8.420 -11.461 -6.288) 15.550 9.337 ( 5.020 6.566 -1.557) 8.410 9.510 ( 3.160 -7.789 -3.513) 9.110 9.565 ( 12.876 1.495 -1.582) 13.059 9.685 ( 16.101 -10.248 2.968) 19.316 10.112 ( -1.066 4.006 -7.954) 8.969 10.209 ( -1.785 -5.118 -6.354) 8.352 10.338 ( -2.663 1.716 -7.876) 8.489 10.368 ( 0.776 -1.156 -6.949) 7.087 11.641 ( -1.040 1.862 1.342) 2.520 11.676 ( -0.128 -1.385 0.682) 1.549 12.237 ( -6.206 3.934 -4.709) 8.727 12.280 ( -7.799 -0.017 -2.454) 8.176 12.369 ( -0.136 6.602 3.587) 7.515 12.526 ( 1.335 -8.352 6.556) 10.702 12.798 ( -3.503 2.672 6.165) 7.578 12.828 ( -3.392 -0.426 4.718) 5.826 13.495 ( -11.787 6.942 10.381) 17.172 13.526 ( -12.130 3.814 8.347) 15.210 16.229 ( 2.697 0.229 -2.927) 3.987 16.250 ( 3.027 -1.732 -2.402) 4.235 17.698 ( -5.585 2.557 6.063) 8.630 17.774 ( -7.714 -4.099 -1.357) 8.840 18.049 ( -6.270 10.213 4.101) 12.667 18.296 ( -10.495 -13.238 -1.262) 16.940 18.847 ( 17.334 11.899 -5.266) 21.674 19.074 ( 16.491 -10.474 -2.746) 19.728 ======================= Grid point 174 (93/215) ======================= q-point: (-0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -4.151 11.649 -1.752) 12.490 2.740 ( -1.340 -0.727 2.694) 3.095 2.926 ( -0.420 -2.708 3.001) 4.064 2.980 ( -3.784 -8.665 0.588) 9.474 3.129 ( -2.545 17.224 -1.568) 17.481 3.440 ( -0.873 -8.561 -4.926) 9.916 3.504 ( -5.852 4.922 3.040) 8.229 3.570 ( -1.584 3.983 -4.257) 6.041 3.631 ( -1.440 -5.477 -1.038) 5.758 3.679 ( -2.722 -5.495 3.813) 7.221 4.111 ( -6.388 5.392 4.926) 9.703 4.261 ( -6.524 -8.679 8.866) 14.018 4.661 ( 0.872 7.469 -3.482) 8.287 4.732 ( 1.436 1.440 -3.193) 3.785 5.075 ( -4.893 9.820 -1.349) 11.054 5.200 ( -4.313 -1.397 -1.262) 4.706 5.326 ( 4.044 2.546 -0.977) 4.877 5.382 ( 5.366 -2.315 -1.067) 5.941 5.543 ( 3.219 0.547 -0.899) 3.386 5.595 ( 2.574 -4.211 -0.256) 4.942 5.657 ( 1.596 5.757 0.450) 5.991 5.796 ( 1.951 -5.774 0.709) 6.136 6.565 ( -9.220 2.253 0.473) 9.503 6.615 ( -6.461 -2.822 1.727) 7.259 6.944 ( -0.950 9.729 -3.473) 10.374 7.127 ( -1.808 -5.275 -5.400) 7.762 7.337 ( 2.576 3.524 3.498) 5.594 7.422 ( 3.210 -3.228 3.471) 5.725 7.734 ( -2.178 3.279 1.904) 4.372 7.788 ( -1.409 -1.567 1.902) 2.839 8.865 ( 7.954 1.069 -2.364) 8.366 8.919 ( 6.717 -2.548 3.009) 7.789 9.158 ( 8.345 -0.235 -1.516) 8.485 9.233 ( 5.581 -5.618 -2.849) 8.416 9.439 ( 11.157 1.787 -2.611) 11.597 9.554 ( 5.336 -8.031 -2.174) 9.885 9.710 ( 5.977 5.384 -3.819) 8.905 9.847 ( 4.589 -6.522 -4.934) 9.378 10.148 ( 10.805 1.973 -0.269) 10.987 10.220 ( 3.290 -2.552 -3.428) 5.394 10.244 ( 1.028 4.181 2.139) 4.808 10.364 ( 9.189 -6.854 -1.152) 11.521 11.651 ( -0.408 3.836 1.966) 4.329 11.710 ( 2.232 -1.548 1.810) 3.264 12.056 ( -6.734 2.350 -7.373) 10.258 12.098 ( -6.118 -2.012 -6.920) 9.453 12.385 ( -5.799 8.567 5.245) 11.599 12.564 ( -5.897 -7.899 4.958) 11.034 12.794 ( -3.414 1.779 2.122) 4.396 12.827 ( -2.305 -2.122 4.971) 5.876 13.350 ( -15.554 5.406 2.958) 16.730 13.356 ( -14.887 4.945 2.209) 15.842 16.250 ( 3.432 1.277 -2.049) 4.196 16.285 ( 3.782 -1.963 -1.249) 4.440 17.617 ( -11.452 -0.951 -0.310) 11.495 17.665 ( -10.339 -5.639 5.513) 13.003 18.023 ( -3.698 6.736 5.815) 9.637 18.173 ( -4.377 -7.503 3.532) 9.377 19.040 ( 15.953 14.354 -6.970) 22.564 19.301 ( 16.865 -10.952 -3.832) 20.471 ======================= Grid point 175 (94/215) ======================= q-point: (-0.17 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -9.933 17.695 -0.813) 20.309 2.747 ( -3.478 -2.794 2.792) 5.263 2.898 ( -5.907 -3.212 0.763) 6.767 2.989 ( 1.437 -3.249 3.673) 5.110 3.094 ( 0.402 15.045 -3.175) 15.382 3.309 ( -6.820 2.832 -3.846) 8.326 3.461 ( -4.172 1.225 -0.789) 4.419 3.507 ( 3.922 -4.021 -4.920) 7.467 3.645 ( 0.621 -4.467 0.674) 4.560 3.711 ( 0.232 -10.907 8.034) 13.549 4.043 ( -6.873 9.465 2.592) 11.981 4.240 ( -6.109 -9.061 5.069) 12.047 4.616 ( 0.505 6.304 -4.501) 7.763 4.700 ( 0.538 -1.389 -5.751) 5.941 5.022 ( -1.102 8.962 1.991) 9.246 5.149 ( -1.203 -1.457 0.796) 2.051 5.344 ( -3.167 2.379 -1.236) 4.150 5.416 ( -0.917 -1.421 1.589) 2.320 5.613 ( 8.433 -0.320 -4.592) 9.607 5.649 ( 7.488 -1.996 -3.238) 8.399 5.713 ( 2.388 3.940 3.567) 5.827 5.840 ( 0.443 -6.068 2.247) 6.486 6.467 ( -3.710 4.715 1.765) 6.254 6.568 ( -2.093 -4.883 3.410) 6.313 6.873 ( -2.364 7.440 -4.432) 8.977 7.015 ( -3.896 -4.607 -6.901) 9.167 7.384 ( 0.123 3.578 1.776) 3.996 7.462 ( -1.500 -2.779 1.683) 3.579 7.711 ( -2.817 4.237 1.827) 5.406 7.772 ( -3.087 -1.576 1.905) 3.955 8.966 ( 7.852 1.525 -2.080) 8.264 9.064 ( 7.123 -7.519 0.848) 10.392 9.237 ( 3.171 4.906 0.781) 5.894 9.335 ( 6.484 -3.678 1.785) 7.665 9.597 ( 10.614 -0.146 -2.664) 10.944 9.610 ( 6.462 -2.640 -3.833) 7.963 9.743 ( 3.403 4.181 0.049) 5.391 9.862 ( 2.044 -5.402 0.980) 5.858 10.103 ( -5.916 4.828 -0.928) 7.692 10.181 ( -3.805 -2.733 -1.845) 5.035 10.569 ( 24.732 0.721 4.630) 25.172 10.648 ( 18.437 -4.886 3.883) 19.464 11.628 ( -5.313 6.703 -0.823) 8.593 11.748 ( -2.766 -3.339 0.714) 4.394 11.889 ( -1.620 4.641 -5.216) 7.167 12.014 ( 4.211 -6.933 -2.963) 8.636 12.300 ( -9.368 9.172 2.331) 13.316 12.464 ( -9.138 -6.073 0.675) 10.993 12.739 ( -2.860 4.007 -3.025) 5.778 12.848 ( -1.676 -7.135 3.036) 7.933 13.107 ( -14.737 5.375 -0.719) 15.703 13.141 ( -13.466 2.272 0.371) 13.661 16.291 ( 3.510 2.406 -0.591) 4.296 16.339 ( 3.718 -2.079 0.067) 4.260 17.400 ( -14.527 0.071 -0.182) 14.528 17.485 ( -14.641 -8.060 0.824) 16.734 18.036 ( -0.672 7.711 0.854) 7.787 18.204 ( 0.981 -8.329 2.045) 8.633 19.217 ( 12.810 17.406 -1.307) 21.651 19.529 ( 14.330 -12.656 0.208) 19.119 ======================= Grid point 176 (95/215) ======================= q-point: (-0.08 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -8.564 20.203 1.995) 22.034 2.676 ( -6.192 -12.460 1.103) 13.957 2.803 ( -3.986 13.783 -5.727) 15.448 3.027 ( 0.866 -7.253 -2.685) 7.783 3.046 ( 0.935 12.030 -5.414) 13.225 3.187 ( -3.767 3.155 -1.912) 5.273 3.409 ( -0.979 2.554 -1.879) 3.318 3.536 ( 6.069 -7.760 -6.750) 11.942 3.667 ( 0.424 -1.076 2.822) 3.050 3.785 ( -1.697 -12.917 2.476) 13.261 3.990 ( -3.605 10.928 5.471) 12.742 4.204 ( -3.776 -8.376 5.308) 10.611 4.615 ( 0.838 3.389 2.777) 4.461 4.680 ( 1.522 -2.139 1.636) 3.094 5.067 ( 2.796 6.244 2.709) 7.359 5.162 ( 2.017 -1.209 -0.151) 2.356 5.236 ( -7.345 7.144 -0.968) 10.292 5.385 ( -6.516 -3.970 4.034) 8.631 5.692 ( 6.579 2.624 -2.838) 7.630 5.736 ( 6.703 1.593 -2.639) 7.378 5.788 ( 3.773 -3.519 0.224) 5.164 5.845 ( -1.457 -5.299 0.592) 5.528 6.476 ( 1.066 7.312 0.829) 7.436 6.621 ( 2.895 -6.100 2.127) 7.079 6.784 ( -2.386 3.712 -2.745) 5.196 6.859 ( -5.432 -2.822 -5.634) 8.319 7.393 ( -0.621 2.985 0.924) 3.186 7.437 ( -2.396 -0.591 1.014) 2.668 7.698 ( -1.919 3.785 2.451) 4.901 7.744 ( -3.161 -1.173 2.470) 4.180 9.051 ( 4.861 0.419 -1.462) 5.093 9.147 ( 4.627 -7.631 -2.379) 9.236 9.302 ( 0.694 4.953 4.454) 6.697 9.429 ( 2.238 -5.426 2.354) 6.324 9.658 ( 5.422 2.863 -3.703) 7.163 9.712 ( 6.466 -0.624 -2.599) 6.997 9.831 ( 3.988 3.965 3.226) 6.483 9.898 ( -1.992 -0.329 3.056) 3.663 10.037 ( -1.590 1.264 1.254) 2.387 10.092 ( -2.770 -3.056 -2.608) 4.880 10.965 ( 13.657 4.989 5.741) 15.631 11.014 ( 22.418 -2.994 6.151) 23.439 11.483 ( -9.207 1.604 -1.415) 9.452 11.582 ( -14.033 -5.172 -0.545) 14.966 11.938 ( 6.720 6.977 -1.817) 9.856 12.079 ( 2.283 -4.865 -2.539) 5.944 12.208 ( -0.361 7.240 0.656) 7.279 12.358 ( -0.556 -6.328 -2.703) 6.904 12.624 ( -5.114 7.142 -6.720) 11.060 12.810 ( -5.312 -10.656 -2.090) 12.089 12.914 ( -8.823 4.836 2.682) 10.413 12.972 ( -6.847 -0.293 0.212) 6.857 16.345 ( 2.644 3.281 1.140) 4.365 16.399 ( 2.624 -1.921 1.466) 3.568 17.189 ( -10.691 0.620 0.085) 10.710 17.281 ( -10.012 -7.970 -0.331) 12.801 17.990 ( 0.127 8.671 -8.843) 12.385 18.180 ( 0.631 -9.514 -9.562) 13.504 19.420 ( 7.145 17.937 8.552) 21.117 19.748 ( 7.975 -13.513 6.274) 16.899 ======================= Grid point 225 (96/215) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.218 0.000 33.284) 33.285 1.420 ( 0.900 0.000 35.335) 35.346 2.113 ( 3.384 0.000 51.537) 51.648 2.705 ( 5.230 0.000 5.229) 7.396 2.721 ( -1.340 0.000 -9.941) 10.031 3.111 ( -0.273 0.000 -17.164) 17.166 3.231 ( -4.378 0.000 -9.340) 10.315 3.417 ( -1.723 0.000 4.309) 4.640 3.720 ( -2.512 0.000 1.461) 2.905 3.914 ( 5.383 0.000 -9.091) 10.565 3.919 ( 7.159 0.000 -5.959) 9.315 4.387 ( -6.807 0.000 1.903) 7.068 4.653 ( 0.833 0.000 -22.572) 22.588 4.704 ( -2.264 0.000 0.112) 2.267 4.886 ( -0.983 0.000 -0.038) 0.984 5.080 ( -1.267 0.000 -5.144) 5.298 5.219 ( -7.709 0.000 7.603) 10.827 5.594 ( 4.978 0.000 0.289) 4.987 5.739 ( 2.559 0.000 -5.952) 6.478 5.830 ( 4.284 0.000 -5.260) 6.784 6.003 ( 2.467 0.000 3.980) 4.682 6.239 ( -3.241 0.000 -3.189) 4.547 6.476 ( 2.111 0.000 0.701) 2.224 6.508 ( -2.770 0.000 -1.740) 3.271 6.833 ( -1.795 0.000 5.675) 5.952 6.926 ( -7.076 0.000 2.790) 7.606 7.221 ( 8.479 0.000 5.889) 10.324 7.357 ( -1.271 0.000 -1.514) 1.977 7.512 ( -1.233 0.000 2.466) 2.757 7.676 ( 0.781 0.000 -3.617) 3.700 9.027 ( -0.539 0.000 8.483) 8.500 9.101 ( 6.250 0.000 5.635) 8.415 9.346 ( -0.062 0.000 4.233) 4.234 9.415 ( 4.044 0.000 -1.562) 4.336 9.570 ( -3.671 0.000 4.032) 5.453 9.618 ( -4.432 0.000 1.270) 4.611 9.944 ( -5.812 0.000 15.514) 16.567 10.033 ( -0.734 0.000 1.331) 1.520 10.080 ( 1.500 0.000 -4.424) 4.671 10.152 ( 1.197 0.000 -1.633) 2.025 10.237 ( 0.500 0.000 -2.011) 2.073 11.382 ( 6.681 0.000 -19.535) 20.645 11.618 ( 0.279 0.000 0.756) 0.806 11.659 ( 0.689 0.000 0.060) 0.692 11.793 ( -3.707 0.000 4.995) 6.220 11.800 ( -7.251 0.000 4.192) 8.375 12.162 ( -0.009 0.000 -1.163) 1.163 12.185 ( -0.929 0.000 15.816) 15.843 12.264 ( 0.404 0.000 -5.272) 5.288 12.706 ( 3.205 0.000 -4.852) 5.815 12.879 ( 3.733 0.000 -7.488) 8.367 13.526 ( 0.949 0.000 -24.009) 24.027 16.270 ( -0.765 0.000 5.217) 5.273 16.447 ( 0.495 0.000 -0.128) 0.511 17.482 ( 1.902 0.000 3.681) 4.143 17.527 ( -4.498 0.000 4.560) 6.405 17.757 ( -1.656 0.000 -3.997) 4.327 17.844 ( 4.450 0.000 -4.498) 6.327 19.279 ( -5.243 0.000 18.607) 19.332 20.297 ( 4.149 0.000 -12.379) 13.056 ======================= Grid point 226 (97/215) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 2.588 0.000 31.165) 31.273 1.847 ( 4.444 0.000 31.917) 32.225 2.621 ( 5.416 0.000 -15.834) 16.735 2.749 ( 5.278 0.000 -5.842) 7.873 2.903 ( 10.594 0.000 21.757) 24.199 2.973 ( 9.981 0.000 12.412) 15.927 3.034 ( -5.505 0.000 -11.576) 12.818 3.443 ( -1.434 0.000 4.485) 4.708 3.675 ( -2.896 0.000 0.211) 2.904 3.913 ( 5.022 0.000 -6.792) 8.447 3.929 ( 1.752 0.000 -4.974) 5.273 4.083 ( -5.433 0.000 -22.836) 23.473 4.639 ( 1.405 0.000 4.519) 4.733 4.698 ( 1.534 0.000 -2.232) 2.708 4.854 ( -1.360 0.000 -2.422) 2.778 5.002 ( -1.498 0.000 -3.768) 4.055 5.165 ( -6.798 0.000 5.161) 8.535 5.590 ( -7.490 0.000 0.897) 7.543 5.658 ( -0.777 0.000 -6.741) 6.785 5.795 ( -1.677 0.000 -3.570) 3.945 6.115 ( 2.071 0.000 3.606) 4.158 6.152 ( -3.102 0.000 -2.188) 3.796 6.404 ( -13.468 0.000 4.051) 14.064 6.436 ( -0.153 0.000 -2.924) 2.928 6.865 ( -4.072 0.000 7.363) 8.414 6.930 ( 4.855 0.000 1.901) 5.214 7.265 ( -6.065 0.000 -5.399) 8.120 7.353 ( 1.359 0.000 3.187) 3.465 7.554 ( 3.653 0.000 2.644) 4.510 7.664 ( 2.360 0.000 -3.469) 4.196 9.118 ( -0.269 0.000 9.256) 9.260 9.220 ( 2.672 0.000 0.383) 2.699 9.373 ( 0.684 0.000 2.086) 2.195 9.407 ( 0.128 0.000 -6.464) 6.465 9.638 ( 3.986 0.000 0.683) 4.044 9.706 ( 9.226 0.000 6.799) 11.461 9.987 ( -4.130 0.000 0.841) 4.215 10.038 ( -0.954 0.000 1.370) 1.670 10.116 ( 1.002 0.000 16.009) 16.040 10.161 ( 3.008 0.000 -1.976) 3.599 10.245 ( 2.879 0.000 -0.973) 3.039 11.272 ( 8.988 0.000 -21.880) 23.654 11.579 ( -5.474 0.000 2.254) 5.920 11.637 ( -1.606 0.000 -0.794) 1.792 11.804 ( -4.008 0.000 7.222) 8.259 11.867 ( 6.414 0.000 6.584) 9.192 12.149 ( -0.157 0.000 -1.646) 1.653 12.236 ( 3.938 0.000 -6.656) 7.734 12.335 ( -3.017 0.000 12.950) 13.297 12.715 ( 3.560 0.000 0.057) 3.561 12.811 ( -2.532 0.000 -7.241) 7.671 13.269 ( 1.993 0.000 -24.123) 24.205 16.321 ( 0.178 0.000 4.652) 4.656 16.454 ( 0.976 0.000 -0.613) 1.152 17.448 ( -9.191 0.000 3.214) 9.736 17.533 ( -1.635 0.000 4.748) 5.021 17.675 ( -4.075 0.000 -3.727) 5.522 17.850 ( 2.490 0.000 -6.786) 7.229 19.437 ( -1.210 0.000 20.201) 20.237 20.218 ( 4.113 0.000 -13.572) 14.182 ======================= Grid point 227 (98/215) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 5.741 0.000 27.668) 28.257 2.244 ( 4.428 0.000 24.349) 24.748 2.471 ( 3.552 0.000 -24.159) 24.419 2.541 ( 1.189 0.000 -22.935) 22.966 2.842 ( -3.321 0.000 -7.290) 8.011 3.081 ( 4.257 0.000 8.559) 9.559 3.460 ( -2.676 0.000 4.134) 4.925 3.478 ( 3.649 0.000 2.555) 4.455 3.781 ( 8.019 0.000 13.082) 15.344 3.842 ( 3.958 0.000 -12.486) 13.099 3.918 ( 5.403 0.000 -11.387) 12.604 3.964 ( 12.209 0.000 6.415) 13.792 4.655 ( -0.374 0.000 -7.825) 7.834 4.668 ( -9.550 0.000 11.160) 14.688 4.809 ( 0.494 0.000 -2.996) 3.037 4.986 ( 1.507 0.000 1.763) 2.319 5.153 ( 1.445 0.000 0.942) 1.725 5.436 ( -9.018 0.000 -1.757) 9.187 5.547 ( -9.029 0.000 -0.445) 9.040 5.698 ( -5.148 0.000 -4.769) 7.018 6.055 ( -10.547 0.000 0.651) 10.567 6.103 ( -0.937 0.000 -0.376) 1.010 6.242 ( -10.616 0.000 3.804) 11.277 6.496 ( 8.101 0.000 -2.041) 8.354 6.857 ( -6.072 0.000 6.786) 9.106 7.033 ( -1.115 0.000 0.204) 1.133 7.091 ( -0.196 0.000 -6.885) 6.888 7.404 ( 2.255 0.000 3.532) 4.191 7.662 ( 1.979 0.000 -3.040) 3.628 7.665 ( 6.308 0.000 2.231) 6.691 9.183 ( -2.193 0.000 -5.028) 5.486 9.221 ( -0.156 0.000 9.355) 9.357 9.294 ( -1.914 0.000 -10.019) 10.200 9.452 ( 2.675 0.000 4.485) 5.222 9.713 ( 3.835 0.000 0.625) 3.886 9.769 ( -3.360 0.000 -3.254) 4.677 10.001 ( 2.105 0.000 2.115) 2.984 10.013 ( -5.335 0.000 2.592) 5.932 10.218 ( 8.176 0.000 -3.903) 9.060 10.269 ( 6.353 0.000 -1.704) 6.577 10.478 ( 9.785 0.000 25.941) 27.725 11.192 ( 11.114 0.000 -20.700) 23.495 11.552 ( -1.327 0.000 3.263) 3.523 11.636 ( 2.484 0.000 0.083) 2.485 11.795 ( -8.295 0.000 7.630) 11.271 12.057 ( 5.538 0.000 -0.154) 5.541 12.132 ( 2.171 0.000 3.970) 4.525 12.235 ( 5.298 0.000 -6.614) 8.475 12.339 ( -6.794 0.000 3.745) 7.758 12.628 ( -7.434 0.000 -10.335) 12.731 12.849 ( 4.172 0.000 10.595) 11.386 13.095 ( 5.305 0.000 -16.896) 17.709 16.378 ( 1.285 0.000 3.379) 3.615 16.465 ( 1.863 0.000 -1.476) 2.377 17.336 ( -8.521 0.000 2.335) 8.835 17.526 ( -5.710 0.000 3.848) 6.885 17.550 ( -7.161 0.000 -1.504) 7.317 17.749 ( -3.772 0.000 -8.451) 9.255 19.692 ( 4.576 0.000 19.531) 20.060 20.124 ( 3.504 0.000 -14.112) 14.541 ======================= Grid point 228 (99/215) ======================= q-point: ( 0.25 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 5.505 0.000 -24.201) 24.819 2.339 ( 6.130 0.000 -20.779) 21.665 2.507 ( 3.619 0.000 23.265) 23.545 2.593 ( 3.551 0.000 18.551) 18.888 2.768 ( 0.081 0.000 -2.128) 2.129 3.218 ( 0.476 0.000 7.439) 7.454 3.426 ( -3.343 0.000 -3.397) 4.766 3.449 ( -5.215 0.000 4.187) 6.688 3.782 ( -3.586 0.000 -1.494) 3.885 3.838 ( 4.680 0.000 -6.745) 8.210 3.944 ( 17.792 0.000 -17.209) 24.753 4.382 ( 7.656 0.000 4.279) 8.771 4.592 ( 3.847 0.000 4.467) 5.896 4.635 ( -8.211 0.000 11.073) 13.785 4.805 ( 2.036 0.000 -1.585) 2.580 5.084 ( 6.502 0.000 3.858) 7.560 5.218 ( 5.856 0.000 -0.676) 5.895 5.283 ( -7.797 0.000 -1.741) 7.989 5.404 ( -9.364 0.000 4.332) 10.318 5.514 ( -8.306 0.000 -8.702) 12.030 5.881 ( -11.888 0.000 2.087) 12.069 6.107 ( 1.716 0.000 -1.405) 2.218 6.164 ( -4.466 0.000 3.620) 5.749 6.543 ( 1.705 0.000 -4.495) 4.807 6.856 ( -9.420 0.000 -3.496) 10.047 6.873 ( -0.750 0.000 6.565) 6.608 7.141 ( 3.988 0.000 -2.548) 4.733 7.511 ( 5.009 0.000 4.112) 6.480 7.668 ( 3.116 0.000 -2.663) 4.099 7.797 ( 7.346 0.000 1.613) 7.521 9.070 ( -4.042 0.000 -5.517) 6.839 9.149 ( -2.280 0.000 -8.461) 8.763 9.314 ( -1.168 0.000 8.677) 8.755 9.507 ( -4.140 0.000 5.609) 6.972 9.686 ( 0.786 0.000 -4.368) 4.438 9.750 ( -0.928 0.000 0.018) 0.928 9.952 ( -3.815 0.000 2.491) 4.557 10.000 ( -2.450 0.000 -0.064) 2.451 10.312 ( 10.568 0.000 -7.179) 12.776 10.366 ( 7.562 0.000 -2.398) 7.933 10.944 ( 12.008 0.000 22.649) 25.635 11.170 ( 12.694 0.000 -16.933) 21.163 11.606 ( 2.130 0.000 4.303) 4.801 11.701 ( 1.584 0.000 -0.822) 1.784 11.711 ( -8.180 0.000 6.321) 10.338 11.978 ( -2.056 0.000 -9.156) 9.384 12.242 ( -7.203 0.000 3.194) 7.879 12.255 ( 4.209 0.000 -4.496) 6.159 12.353 ( 7.690 0.000 8.760) 11.657 12.393 ( -5.854 0.000 -9.735) 11.359 13.028 ( 1.074 0.000 12.507) 12.553 13.048 ( 6.551 0.000 -9.193) 11.288 16.435 ( 2.380 0.000 1.712) 2.932 16.475 ( 2.572 0.000 -3.396) 4.260 17.222 ( -8.238 0.000 0.605) 8.260 17.418 ( -9.097 0.000 -1.679) 9.250 17.454 ( -6.571 0.000 5.874) 8.814 17.607 ( -5.234 0.000 -1.877) 5.560 19.968 ( 4.741 0.000 14.341) 15.104 20.018 ( 3.704 0.000 -14.812) 15.268 ======================= Grid point 229 (100/215) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 14.806 0.000 -11.023) 18.459 2.265 ( 10.968 0.000 -16.172) 19.541 2.708 ( -0.777 0.000 1.302) 1.516 2.771 ( -0.655 0.000 19.000) 19.011 2.866 ( 1.721 0.000 13.117) 13.230 3.202 ( -8.514 0.000 2.682) 8.926 3.354 ( -12.149 0.000 3.217) 12.568 3.393 ( 0.751 0.000 0.702) 1.028 3.740 ( -0.804 0.000 1.662) 1.847 3.852 ( 6.253 0.000 -6.327) 8.896 4.026 ( 13.891 0.000 -15.512) 20.823 4.325 ( -1.659 0.000 -6.723) 6.924 4.659 ( -3.813 0.000 7.325) 8.258 4.748 ( 0.680 0.000 2.257) 2.358 4.857 ( 6.932 0.000 0.013) 6.932 5.129 ( -1.896 0.000 -2.231) 2.927 5.255 ( -2.771 0.000 7.286) 7.796 5.272 ( -5.576 0.000 -6.567) 8.615 5.317 ( 4.241 0.000 -1.859) 4.631 5.410 ( 5.474 0.000 4.748) 7.246 5.739 ( -8.029 0.000 1.074) 8.100 6.080 ( -0.229 0.000 -7.260) 7.264 6.192 ( 1.695 0.000 5.879) 6.118 6.487 ( -1.485 0.000 -4.223) 4.476 6.701 ( -9.085 0.000 1.827) 9.267 6.947 ( 0.505 0.000 5.564) 5.587 7.139 ( 0.374 0.000 -3.103) 3.126 7.609 ( 3.070 0.000 -0.465) 3.105 7.700 ( 4.532 0.000 -2.884) 5.371 7.918 ( 6.219 0.000 -0.077) 6.219 8.956 ( -4.583 0.000 -1.322) 4.770 9.062 ( -0.703 0.000 -1.891) 2.017 9.371 ( -3.147 0.000 7.648) 8.270 9.454 ( -7.665 0.000 4.396) 8.836 9.675 ( -6.734 0.000 -0.007) 6.734 9.703 ( 5.813 0.000 -4.379) 7.278 9.968 ( -2.373 0.000 2.456) 3.415 9.976 ( 3.552 0.000 0.244) 3.560 10.375 ( 9.787 0.000 -10.640) 14.457 10.428 ( 5.696 0.000 -5.701) 8.059 11.214 ( 12.275 0.000 -11.373) 16.734 11.291 ( 3.907 0.000 11.855) 12.482 11.597 ( -9.327 0.000 7.257) 11.818 11.641 ( -2.590 0.000 -2.878) 3.872 11.734 ( 1.675 0.000 -4.510) 4.811 11.893 ( 3.882 0.000 -2.419) 4.574 12.153 ( -6.543 0.000 0.966) 6.614 12.197 ( 0.840 0.000 -6.643) 6.696 12.341 ( 2.287 0.000 0.708) 2.394 12.563 ( 5.465 0.000 8.802) 10.360 13.083 ( 6.745 0.000 -4.203) 7.948 13.140 ( -3.254 0.000 10.228) 10.734 16.466 ( 2.605 0.000 -5.571) 6.150 16.487 ( 2.902 0.000 -0.356) 2.924 17.096 ( -7.156 0.000 -0.209) 7.159 17.261 ( -7.652 0.000 -0.368) 7.661 17.488 ( -4.319 0.000 15.127) 15.731 17.542 ( -3.959 0.000 3.454) 5.254 19.918 ( 5.183 0.000 -15.525) 16.367 20.122 ( -0.166 0.000 5.559) 5.561 ======================= Grid point 230 (101/215) ======================= q-point: ( 0.42 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 13.680 0.000 -9.191) 16.481 2.397 ( 18.252 0.000 3.304) 18.549 2.706 ( -1.665 0.000 1.403) 2.177 2.880 ( -9.189 0.000 12.017) 15.128 2.975 ( -3.031 0.000 6.084) 6.797 3.136 ( -1.877 0.000 5.646) 5.950 3.204 ( -10.705 0.000 8.433) 13.628 3.393 ( -2.278 0.000 0.301) 2.298 3.767 ( -0.027 0.000 2.451) 2.451 3.887 ( 6.051 0.000 -5.154) 7.948 4.028 ( 8.136 0.000 -15.017) 17.080 4.261 ( 1.277 0.000 -4.379) 4.562 4.610 ( -6.754 0.000 -1.351) 6.888 4.651 ( -5.033 0.000 -9.414) 10.675 5.003 ( 4.705 0.000 3.878) 6.098 5.137 ( 1.330 0.000 2.458) 2.795 5.181 ( 4.119 0.000 -0.375) 4.136 5.243 ( -6.403 0.000 5.899) 8.706 5.398 ( 4.153 0.000 1.502) 4.416 5.559 ( 5.335 0.000 1.482) 5.537 5.657 ( -0.433 0.000 -3.350) 3.378 5.944 ( -3.231 0.000 -10.554) 11.037 6.349 ( 8.375 0.000 6.806) 10.791 6.418 ( -2.076 0.000 -2.816) 3.498 6.577 ( -10.880 0.000 3.811) 11.528 6.999 ( -0.855 0.000 4.158) 4.245 7.110 ( 0.578 0.000 -2.317) 2.388 7.566 ( -2.885 0.000 -7.474) 8.011 7.740 ( 4.110 0.000 -2.581) 4.854 7.970 ( 2.047 0.000 -3.379) 3.951 8.923 ( -1.093 0.000 4.354) 4.489 9.087 ( 0.926 0.000 4.928) 5.014 9.389 ( -3.619 0.000 5.886) 6.909 9.402 ( -4.677 0.000 4.391) 6.416 9.585 ( -3.839 0.000 0.037) 3.839 9.741 ( 5.402 0.000 -5.250) 7.533 9.988 ( -0.823 0.000 5.148) 5.214 10.031 ( 3.378 0.000 -1.069) 3.543 10.388 ( 7.340 0.000 -11.442) 13.594 10.417 ( 2.449 0.000 -8.000) 8.367 11.288 ( -7.683 0.000 0.967) 7.743 11.290 ( 9.428 0.000 -6.669) 11.548 11.500 ( -2.909 0.000 -9.584) 10.016 11.503 ( -11.037 0.000 -1.585) 11.150 11.777 ( 6.243 0.000 1.751) 6.484 12.020 ( 8.388 0.000 2.421) 8.731 12.057 ( -6.440 0.000 1.351) 6.580 12.235 ( 6.809 0.000 2.338) 7.200 12.383 ( 0.812 0.000 1.483) 1.691 12.711 ( 1.853 0.000 7.096) 7.334 13.146 ( -7.613 0.000 6.163) 9.795 13.156 ( 6.472 0.000 -1.660) 6.681 16.438 ( 2.120 0.000 -5.853) 6.225 16.505 ( 1.298 0.000 -3.074) 3.337 17.015 ( -3.014 0.000 0.908) 3.147 17.175 ( -4.937 0.000 1.781) 5.248 17.584 ( 0.740 0.000 10.100) 10.127 17.630 ( -3.936 0.000 20.728) 21.098 19.845 ( 7.751 0.000 -15.502) 17.331 20.077 ( -6.521 0.000 -3.908) 7.603 ======================= Grid point 231 (102/215) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 11.196 0.000 -2.202) 11.411 2.516 ( -12.563 0.000 -3.800) 13.125 2.785 ( -14.028 0.000 7.891) 16.095 2.788 ( 9.344 0.000 9.179) 13.099 3.038 ( 6.573 0.000 6.553) 9.281 3.239 ( -1.581 0.000 14.496) 14.582 3.257 ( 5.105 0.000 7.336) 8.938 3.325 ( -4.435 0.000 -1.914) 4.831 3.775 ( -1.949 0.000 2.015) 2.803 3.926 ( 5.611 0.000 -5.021) 7.529 3.964 ( 5.718 0.000 -15.507) 16.527 4.221 ( -0.603 0.000 -8.138) 8.160 4.449 ( -8.655 0.000 -3.978) 9.526 4.470 ( -1.463 0.000 -8.766) 8.888 5.066 ( 0.183 0.000 3.804) 3.809 5.148 ( -3.422 0.000 -0.001) 3.422 5.228 ( -3.080 0.000 6.394) 7.097 5.352 ( 9.706 0.000 5.087) 10.959 5.481 ( 2.815 0.000 3.628) 4.592 5.551 ( -7.347 0.000 -1.962) 7.604 5.645 ( 4.666 0.000 -6.270) 7.816 5.788 ( -1.379 0.000 -8.334) 8.447 6.361 ( -1.762 0.000 -1.825) 2.536 6.446 ( -5.028 0.000 4.133) 6.509 6.605 ( 9.469 0.000 6.031) 11.227 7.015 ( -1.089 0.000 1.870) 2.164 7.126 ( 2.963 0.000 0.823) 3.076 7.377 ( -7.227 0.000 -10.406) 12.670 7.765 ( 1.829 0.000 -1.709) 2.503 7.909 ( -2.545 0.000 -5.747) 6.286 9.020 ( 5.196 0.000 6.277) 8.148 9.152 ( -0.170 0.000 3.552) 3.556 9.388 ( -3.820 0.000 3.697) 5.316 9.411 ( -1.885 0.000 6.057) 6.343 9.559 ( 0.677 0.000 -0.306) 0.743 9.763 ( 4.907 0.000 -4.828) 6.884 10.033 ( -1.572 0.000 5.107) 5.343 10.062 ( 0.813 0.000 1.392) 1.612 10.328 ( -1.901 0.000 -8.370) 8.583 10.350 ( 3.162 0.000 -10.407) 10.877 11.181 ( -6.165 0.000 -0.724) 6.208 11.264 ( -12.671 0.000 -3.613) 13.176 11.348 ( 3.615 0.000 -3.173) 4.810 11.397 ( 5.201 0.000 -9.406) 10.748 11.876 ( 4.282 0.000 0.383) 4.299 11.951 ( -4.223 0.000 -3.540) 5.510 12.197 ( 6.045 0.000 5.888) 8.439 12.395 ( 0.455 0.000 -0.155) 0.481 12.428 ( 7.559 0.000 8.652) 11.489 12.779 ( -1.444 0.000 4.575) 4.798 13.039 ( -11.319 0.000 2.026) 11.499 13.253 ( 7.140 0.000 -0.027) 7.140 16.409 ( 1.345 0.000 -4.115) 4.330 16.459 ( -1.507 0.000 -4.373) 4.625 17.030 ( 2.901 0.000 2.059) 3.557 17.130 ( -1.687 0.000 -0.403) 1.734 17.791 ( 5.669 0.000 16.610) 17.550 17.796 ( -5.267 0.000 20.964) 21.616 19.827 ( 10.483 0.000 -13.440) 17.045 19.838 ( -12.500 0.000 -11.215) 16.793 ======================= Grid point 232 (103/215) ======================= q-point: (-0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -21.256 0.000 -6.140) 22.125 2.495 ( -17.949 0.000 8.800) 19.990 2.729 ( 6.376 0.000 -1.093) 6.469 3.008 ( 3.551 0.000 11.529) 12.064 3.172 ( 3.572 0.000 3.220) 4.809 3.200 ( -6.827 0.000 -1.896) 7.086 3.443 ( 7.851 0.000 4.534) 9.066 3.528 ( 10.915 0.000 14.208) 17.917 3.780 ( 0.307 0.000 6.183) 6.191 3.862 ( -7.186 0.000 -15.363) 16.960 3.884 ( 5.997 0.000 -14.173) 15.390 4.065 ( 0.992 0.000 -8.686) 8.742 4.265 ( -8.940 0.000 -3.503) 9.602 4.469 ( 4.918 0.000 1.060) 5.031 5.059 ( -6.635 0.000 -0.646) 6.666 5.109 ( -0.662 0.000 4.486) 4.534 5.237 ( -4.525 0.000 3.144) 5.510 5.354 ( -8.732 0.000 -2.109) 8.983 5.529 ( 7.024 0.000 -2.525) 7.464 5.576 ( 4.073 0.000 3.203) 5.182 5.638 ( 1.446 0.000 -0.104) 1.450 5.733 ( 3.626 0.000 -4.903) 6.098 6.327 ( -0.630 0.000 -0.903) 1.101 6.484 ( 0.097 0.000 8.598) 8.598 6.785 ( 8.285 0.000 -1.135) 8.362 7.020 ( 1.198 0.000 -0.392) 1.260 7.136 ( -8.421 0.000 -9.156) 12.440 7.237 ( 5.933 0.000 6.335) 8.680 7.762 ( -0.519 0.000 -0.298) 0.598 7.792 ( -3.900 0.000 -5.116) 6.433 9.155 ( -1.332 0.000 -0.342) 1.375 9.182 ( 4.825 0.000 3.152) 5.763 9.363 ( -0.568 0.000 2.546) 2.609 9.442 ( -1.180 0.000 3.583) 3.772 9.581 ( 2.269 0.000 -1.690) 2.829 9.789 ( 3.053 0.000 -2.861) 4.185 10.032 ( -4.417 0.000 3.134) 5.416 10.104 ( -0.580 0.000 5.458) 5.488 10.187 ( -4.397 0.000 -7.036) 8.297 10.272 ( 0.552 0.000 -6.855) 6.877 10.936 ( -17.756 0.000 -2.226) 17.895 11.202 ( 2.601 0.000 1.000) 2.787 11.340 ( 2.452 0.000 -4.008) 4.699 11.455 ( 8.530 0.000 -3.233) 9.123 11.843 ( -3.623 0.000 -4.569) 5.831 11.915 ( -1.074 0.000 1.138) 1.565 12.326 ( 2.798 0.000 3.677) 4.621 12.405 ( 3.342 0.000 -1.928) 3.858 12.628 ( 5.129 0.000 7.313) 8.932 12.767 ( -1.687 0.000 -3.264) 3.674 12.852 ( -14.832 0.000 4.258) 15.431 13.390 ( 9.148 0.000 1.511) 9.272 16.371 ( -3.417 0.000 -3.848) 5.146 16.393 ( 0.838 0.000 -1.802) 1.988 17.118 ( 2.139 0.000 -2.164) 3.043 17.143 ( 7.650 0.000 2.402) 8.019 17.910 ( -6.183 0.000 15.338) 16.537 18.099 ( 8.238 0.000 17.424) 19.273 19.450 ( -17.575 0.000 -14.494) 22.780 19.881 ( 11.713 0.000 -8.494) 14.469 ======================= Grid point 233 (104/215) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -24.978 0.000 -3.849) 25.273 2.183 ( -29.554 0.000 5.570) 30.074 2.819 ( 3.769 0.000 -3.227) 4.962 3.095 ( -4.311 0.000 0.862) 4.396 3.116 ( -1.851 0.000 6.927) 7.170 3.330 ( 9.084 0.000 6.002) 10.888 3.378 ( -27.750 0.000 -13.772) 30.979 3.586 ( 4.556 0.000 1.923) 4.945 3.612 ( -3.490 0.000 -1.103) 3.660 3.831 ( 4.432 0.000 -12.911) 13.650 4.053 ( 4.637 0.000 -6.488) 7.975 4.096 ( 13.721 0.000 19.415) 23.774 4.113 ( -4.407 0.000 -1.766) 4.747 4.605 ( 9.583 0.000 1.808) 9.752 4.944 ( -6.846 0.000 1.006) 6.919 5.145 ( -0.330 0.000 3.272) 3.288 5.171 ( -0.308 0.000 -2.094) 2.117 5.307 ( 0.313 0.000 0.352) 0.471 5.443 ( -8.397 0.000 -3.909) 9.262 5.655 ( 5.870 0.000 -0.913) 5.941 5.782 ( 9.936 0.000 1.557) 10.058 5.793 ( 8.032 0.000 -1.160) 8.115 6.307 ( -1.538 0.000 -0.318) 1.570 6.594 ( 1.002 0.000 7.693) 7.758 6.849 ( 3.760 0.000 -3.217) 4.949 6.934 ( -6.230 0.000 -5.020) 8.001 7.048 ( 2.871 0.000 -0.882) 3.003 7.420 ( 6.528 0.000 6.533) 9.235 7.677 ( -4.497 0.000 -3.546) 5.726 7.752 ( -1.554 0.000 1.926) 2.475 9.106 ( -3.621 0.000 -1.335) 3.859 9.138 ( -6.714 0.000 -2.330) 7.107 9.446 ( -1.804 0.000 -0.092) 1.806 9.517 ( 10.941 0.000 2.918) 11.323 9.597 ( 4.016 0.000 -1.834) 4.415 9.762 ( -4.730 0.000 0.197) 4.734 9.981 ( -3.942 0.000 0.808) 4.024 10.057 ( -2.185 0.000 -5.890) 6.282 10.112 ( -0.357 0.000 -3.019) 3.040 10.274 ( 0.113 0.000 5.574) 5.575 10.640 ( -19.030 0.000 2.537) 19.198 11.307 ( 7.141 0.000 2.930) 7.719 11.350 ( 1.614 0.000 0.595) 1.721 11.566 ( 8.097 0.000 -2.569) 8.495 11.746 ( -1.839 0.000 -3.226) 3.714 11.861 ( -6.534 0.000 0.967) 6.606 12.334 ( -4.652 0.000 -1.373) 4.850 12.464 ( 6.530 0.000 -2.556) 7.012 12.615 ( -4.129 0.000 -8.979) 9.883 12.740 ( 2.509 0.000 2.226) 3.354 12.751 ( -9.498 0.000 8.383) 12.668 13.569 ( 10.781 0.000 1.273) 10.856 16.278 ( -3.798 0.000 -2.047) 4.314 16.395 ( 0.657 0.000 -0.073) 0.661 17.150 ( 5.053 0.000 -2.398) 5.593 17.304 ( 8.889 0.000 1.575) 9.027 17.941 ( -4.474 0.000 5.754) 7.289 18.410 ( 9.690 0.000 10.598) 14.360 18.990 ( -21.597 0.000 -9.609) 23.638 20.001 ( 10.355 0.000 -1.965) 10.540 ======================= Grid point 234 (105/215) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -26.588 0.000 3.627) 26.835 1.698 ( -33.616 0.000 -2.044) 33.678 2.644 ( -36.286 0.000 3.648) 36.469 2.818 ( -12.499 0.000 -2.220) 12.695 3.140 ( 1.970 0.000 1.993) 2.802 3.153 ( -2.789 0.000 6.214) 6.811 3.508 ( 3.852 0.000 2.596) 4.645 3.518 ( -6.096 0.000 -1.396) 6.254 3.641 ( 1.485 0.000 0.080) 1.488 3.706 ( 1.981 0.000 -11.901) 12.065 4.036 ( 4.112 0.000 -9.180) 10.059 4.128 ( 5.340 0.000 0.749) 5.392 4.508 ( 12.779 0.000 14.840) 19.584 4.784 ( 10.259 0.000 -0.995) 10.307 4.908 ( -1.726 0.000 7.044) 7.253 5.162 ( 0.910 0.000 -2.421) 2.586 5.191 ( 4.569 0.000 -2.395) 5.158 5.269 ( -9.840 0.000 1.660) 9.979 5.331 ( 4.956 0.000 -3.015) 5.801 5.729 ( 6.235 0.000 -3.720) 7.260 5.937 ( 7.738 0.000 0.078) 7.738 5.950 ( 11.120 0.000 0.980) 11.163 6.279 ( 0.166 0.000 -0.576) 0.599 6.650 ( -0.687 0.000 0.852) 1.094 6.837 ( -2.986 0.000 -0.044) 2.987 6.861 ( -0.131 0.000 1.184) 1.192 7.071 ( 0.519 0.000 -1.048) 1.170 7.549 ( 3.826 0.000 0.726) 3.895 7.574 ( -4.477 0.000 -1.479) 4.715 7.761 ( -1.420 0.000 3.741) 4.002 9.000 ( -6.386 0.000 -2.292) 6.785 9.018 ( -5.041 0.000 -1.358) 5.221 9.386 ( -4.843 0.000 0.811) 4.910 9.552 ( -6.517 0.000 -2.942) 7.150 9.684 ( 8.382 0.000 -1.798) 8.573 9.798 ( 3.701 0.000 6.683) 7.639 9.922 ( -5.303 0.000 2.003) 5.669 10.000 ( 3.441 0.000 -5.559) 6.538 10.073 ( 0.278 0.000 -2.879) 2.892 10.325 ( -1.522 0.000 3.289) 3.625 10.402 ( -16.063 0.000 5.175) 16.876 11.416 ( 2.184 0.000 6.171) 6.546 11.472 ( 7.477 0.000 4.627) 8.793 11.577 ( 0.382 0.000 -5.615) 5.628 11.758 ( -6.379 0.000 0.227) 6.383 11.785 ( 5.306 0.000 3.178) 6.185 12.162 ( -8.931 0.000 -6.269) 10.911 12.491 ( -2.835 0.000 -5.389) 6.089 12.518 ( 1.899 0.000 -1.579) 2.470 12.698 ( -7.434 0.000 6.087) 9.608 12.780 ( 5.018 0.000 -4.185) 6.534 13.734 ( 10.303 0.000 -2.962) 10.721 16.215 ( -2.951 0.000 0.750) 3.044 16.409 ( 0.553 0.000 0.729) 0.916 17.220 ( 6.286 0.000 -1.484) 6.459 17.428 ( 5.371 0.000 -0.949) 5.454 17.914 ( 0.352 0.000 -3.550) 3.567 18.417 ( -6.534 0.000 -21.580) 22.547 18.796 ( -6.252 0.000 23.292) 24.116 20.153 ( 7.346 0.000 3.330) 8.066 ======================= Grid point 235 (106/215) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -22.235 0.000 19.048) 29.278 1.132 ( -32.651 0.000 2.147) 32.722 2.098 ( -47.401 0.000 27.066) 54.584 2.679 ( -5.501 0.000 -2.270) 5.951 3.109 ( -9.635 0.000 0.186) 9.636 3.194 ( 2.596 0.000 0.947) 2.763 3.408 ( -6.404 0.000 3.450) 7.274 3.476 ( -2.716 0.000 -2.866) 3.948 3.661 ( 0.901 0.000 1.067) 1.397 3.740 ( 13.509 0.000 -10.662) 17.210 3.990 ( 4.603 0.000 -10.552) 11.512 4.240 ( 4.763 0.000 3.465) 5.890 4.791 ( 6.277 0.000 6.964) 9.375 4.856 ( 2.105 0.000 -2.848) 3.541 5.069 ( 6.497 0.000 11.691) 13.375 5.107 ( 0.835 0.000 -6.975) 7.024 5.204 ( -5.013 0.000 5.038) 7.108 5.221 ( 1.526 0.000 -0.152) 1.534 5.431 ( 14.988 0.000 -6.666) 16.404 5.762 ( 4.771 0.000 -5.613) 7.367 6.005 ( 0.675 0.000 0.121) 0.686 6.139 ( 10.671 0.000 0.361) 10.677 6.355 ( 8.788 0.000 1.221) 8.873 6.588 ( -4.489 0.000 -4.017) 6.024 6.813 ( -1.730 0.000 1.458) 2.263 6.880 ( -0.685 0.000 3.846) 3.907 7.035 ( -2.871 0.000 -0.430) 2.903 7.517 ( -2.683 0.000 1.527) 3.087 7.555 ( -0.618 0.000 -3.994) 4.041 7.763 ( -2.101 0.000 0.150) 2.106 8.914 ( -2.237 0.000 0.439) 2.279 8.939 ( -3.736 0.000 1.106) 3.896 9.342 ( -3.866 0.000 4.379) 5.841 9.414 ( -7.979 0.000 0.991) 8.041 9.781 ( 5.950 0.000 -3.337) 6.821 9.794 ( -8.168 0.000 1.813) 8.367 9.897 ( -4.548 0.000 5.532) 7.162 10.058 ( 5.554 0.000 -0.855) 5.619 10.060 ( -0.234 0.000 -0.056) 0.241 10.263 ( -6.139 0.000 2.519) 6.635 10.270 ( -4.940 0.000 -3.866) 6.273 11.526 ( 1.459 0.000 -4.556) 4.784 11.545 ( 2.713 0.000 6.174) 6.744 11.608 ( 2.008 0.000 3.036) 3.640 11.705 ( 0.323 0.000 2.195) 2.219 11.897 ( 1.821 0.000 3.534) 3.976 11.999 ( -3.758 0.000 -0.302) 3.771 12.375 ( -3.103 0.000 -7.495) 8.112 12.470 ( -4.860 0.000 -2.075) 5.284 12.655 ( -5.936 0.000 6.435) 8.755 12.826 ( 9.021 0.000 -7.957) 12.029 13.806 ( 7.681 0.000 -10.565) 13.062 16.203 ( -1.792 0.000 3.532) 3.961 16.426 ( 0.458 0.000 0.750) 0.879 17.310 ( 5.813 0.000 0.057) 5.814 17.446 ( 0.930 0.000 -2.911) 3.056 17.886 ( 3.269 0.000 -7.151) 7.863 18.067 ( -8.593 0.000 -14.062) 16.480 18.994 ( -1.931 0.000 19.732) 19.826 20.293 ( 5.036 0.000 3.039) 5.882 ======================= Grid point 236 (107/215) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -6.377 0.000 31.744) 32.378 1.085 ( -9.169 0.000 33.167) 34.411 1.824 ( -33.935 0.000 43.732) 55.354 2.616 ( -0.325 0.000 1.682) 1.713 2.900 ( -9.491 0.000 -6.121) 11.294 3.225 ( 4.208 0.000 -7.902) 8.952 3.369 ( -4.004 0.000 -1.722) 4.358 3.411 ( -2.430 0.000 1.271) 2.743 3.701 ( 0.487 0.000 3.603) 3.635 3.840 ( 12.421 0.000 -8.728) 15.181 3.950 ( 5.152 0.000 -11.161) 12.293 4.341 ( 1.470 0.000 5.860) 6.042 4.788 ( -4.785 0.000 -3.487) 5.921 4.871 ( 1.151 0.000 -1.173) 1.643 4.972 ( -3.382 0.000 -16.100) 16.451 5.145 ( -0.753 0.000 -3.161) 3.250 5.218 ( -3.852 0.000 8.555) 9.382 5.423 ( 11.559 0.000 8.174) 14.157 5.635 ( 17.201 0.000 -5.131) 17.950 5.785 ( 6.822 0.000 -5.616) 8.836 5.989 ( -2.465 0.000 1.127) 2.710 6.264 ( 4.860 0.000 -1.382) 5.053 6.465 ( -3.464 0.000 -2.551) 4.302 6.504 ( 5.568 0.000 0.388) 5.582 6.809 ( -1.640 0.000 3.167) 3.566 6.939 ( 1.808 0.000 3.763) 4.174 7.043 ( 3.694 0.000 3.916) 5.383 7.442 ( -6.607 0.000 -3.796) 7.620 7.509 ( -1.882 0.000 2.777) 3.355 7.713 ( -1.203 0.000 -2.500) 2.774 8.947 ( -0.307 0.000 5.795) 5.803 8.953 ( 3.407 0.000 4.709) 5.812 9.336 ( -4.912 0.000 3.700) 6.150 9.361 ( -0.628 0.000 4.899) 4.939 9.663 ( -9.900 0.000 2.106) 10.121 9.742 ( -5.735 0.000 -4.481) 7.278 9.896 ( -6.058 0.000 10.278) 11.931 10.042 ( -3.004 0.000 1.866) 3.537 10.088 ( 1.484 0.000 -2.085) 2.560 10.163 ( -1.116 0.000 -2.304) 2.560 10.248 ( 0.909 0.000 -0.931) 1.302 11.480 ( 3.629 0.000 -11.764) 12.311 11.601 ( 0.266 0.000 0.771) 0.815 11.632 ( 1.186 0.000 0.503) 1.288 11.775 ( 0.226 0.000 4.694) 4.700 11.894 ( -4.218 0.000 0.926) 4.318 12.051 ( -1.454 0.000 11.350) 11.443 12.226 ( -4.143 0.000 -6.117) 7.388 12.352 ( -4.579 0.000 -4.033) 6.102 12.680 ( 2.324 0.000 1.487) 2.759 12.873 ( 7.855 0.000 -8.357) 11.470 13.733 ( 3.811 0.000 -18.641) 19.027 16.229 ( -1.220 0.000 5.002) 5.149 16.439 ( 0.408 0.000 0.344) 0.534 17.401 ( 4.201 0.000 1.869) 4.598 17.473 ( 2.829 0.000 3.562) 4.549 17.836 ( -0.929 0.000 -5.476) 5.554 17.870 ( -1.249 0.000 -7.061) 7.171 19.155 ( -4.205 0.000 18.104) 18.585 20.348 ( 3.859 0.000 -6.527) 7.582 ======================= Grid point 237 (108/215) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 5.306 4.176 33.618) 34.289 1.455 ( -3.384 8.492 29.594) 30.974 2.512 ( 2.178 30.746 40.022) 50.515 2.685 ( 0.207 0.485 -4.953) 4.981 2.805 ( 3.538 5.450 0.608) 6.526 3.140 ( -1.241 1.077 -12.291) 12.400 3.243 ( -3.981 0.826 -9.259) 10.112 3.372 ( 0.389 -2.953 -1.027) 3.151 3.726 ( -2.428 -1.855 -2.041) 3.675 3.861 ( 3.803 -0.542 -4.049) 5.581 3.990 ( 5.166 4.120 -5.925) 8.875 4.325 ( -5.217 -5.035 -2.081) 7.544 4.635 ( 2.403 -0.246 -11.616) 11.864 4.757 ( -4.795 1.070 -4.369) 6.575 4.885 ( -0.818 1.736 0.697) 2.041 5.056 ( -1.182 -1.568 -3.728) 4.213 5.211 ( -6.466 -0.426 7.538) 9.941 5.619 ( 8.680 1.555 -1.284) 8.911 5.700 ( 0.670 -3.287 -2.535) 4.205 5.818 ( 5.658 -3.079 0.244) 6.447 5.894 ( -4.838 -2.853 1.467) 5.805 6.142 ( -1.256 -6.662 -2.836) 7.349 6.518 ( 1.169 -0.503 0.175) 1.285 6.615 ( 0.129 4.862 -2.882) 5.654 6.793 ( -3.379 -3.581 5.041) 7.047 6.848 ( -1.935 -3.365 1.726) 4.248 7.210 ( 6.281 0.491 3.654) 7.283 7.334 ( -2.929 -1.374 -1.783) 3.694 7.524 ( -0.907 1.537 2.716) 3.250 7.696 ( 0.292 1.849 -3.018) 3.551 8.971 ( -0.241 -1.838 7.577) 7.801 9.209 ( 4.251 4.866 3.836) 7.514 9.412 ( -0.009 5.323 4.101) 6.720 9.489 ( 3.957 4.915 -2.162) 6.670 9.573 ( -4.968 0.399 3.123) 5.882 9.698 ( 2.190 7.614 3.381) 8.614 9.962 ( -6.460 -2.500 2.914) 7.515 9.994 ( -0.018 -1.961 -0.882) 2.150 10.112 ( 0.444 2.360 1.406) 2.782 10.128 ( -1.743 -1.029 4.159) 4.626 10.275 ( 0.825 4.571 0.585) 4.681 11.402 ( 6.172 2.329 -15.416) 16.768 11.564 ( 0.455 -2.860 2.505) 3.829 11.671 ( -6.791 1.896 0.957) 7.115 11.804 ( 2.759 2.650 3.472) 5.167 11.914 ( -5.140 4.186 -0.713) 6.667 12.151 ( 1.080 -2.776 14.490) 14.793 12.215 ( -6.216 3.701 -3.219) 7.918 12.242 ( 4.215 -0.690 -4.010) 5.859 12.670 ( 4.318 -2.368 -2.967) 5.749 12.868 ( 4.144 -0.863 -7.196) 8.348 13.431 ( -0.715 -8.745 -21.561) 23.278 16.279 ( -0.465 0.927 5.117) 5.221 16.453 ( 0.269 0.626 -0.028) 0.682 17.418 ( -3.998 -3.581 1.724) 5.637 17.495 ( 3.535 -3.956 4.953) 7.258 17.727 ( 6.862 -4.225 -5.891) 9.982 17.857 ( -5.262 1.401 -7.232) 9.053 19.310 ( -3.790 3.413 20.080) 20.718 20.296 ( 1.866 -0.342 -9.521) 9.708 ======================= Grid point 238 (109/215) ======================= q-point: ( 0.08 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 1.136 3.296 29.750) 29.953 1.955 ( 12.204 7.404 28.923) 32.254 2.598 ( 4.119 -0.425 -15.290) 15.841 2.871 ( 2.624 7.018 -16.716) 18.318 2.949 ( 4.986 2.243 5.033) 7.432 3.054 ( -3.618 2.841 -8.592) 9.746 3.123 ( 9.402 12.846 26.254) 30.704 3.411 ( 1.922 -2.359 5.092) 5.932 3.684 ( -0.162 -0.260 1.094) 1.136 3.865 ( 0.766 -0.152 -3.320) 3.411 3.957 ( -0.855 1.902 -5.429) 5.815 4.122 ( -2.776 3.149 -14.647) 15.237 4.608 ( 0.157 -0.253 -0.519) 0.599 4.660 ( -0.596 -6.180 -6.162) 8.748 4.895 ( -0.544 5.211 2.195) 5.681 5.017 ( -0.171 0.819 -1.516) 1.732 5.170 ( -5.868 0.623 4.576) 7.467 5.578 ( -8.434 -3.275 -4.293) 10.014 5.650 ( -3.300 2.065 -0.591) 3.937 5.832 ( -1.580 0.951 -3.135) 3.637 5.939 ( 1.744 -9.201 4.145) 10.241 6.090 ( -0.904 -4.404 -1.540) 4.753 6.477 ( -6.225 3.725 0.907) 7.311 6.545 ( -2.715 4.091 -2.333) 5.436 6.805 ( -3.195 -5.125 6.261) 8.699 6.916 ( 7.224 0.404 1.162) 7.328 7.245 ( -4.928 -1.500 -4.745) 7.004 7.326 ( 2.904 -1.061 2.899) 4.238 7.567 ( 2.961 1.286 2.747) 4.239 7.673 ( 1.204 1.314 -3.000) 3.490 9.063 ( -0.236 -2.852 8.428) 8.900 9.268 ( -0.698 1.138 1.902) 2.323 9.322 ( -5.956 -0.285 -2.999) 6.674 9.501 ( 3.192 3.436 -7.669) 8.989 9.614 ( -1.188 0.151 5.253) 5.387 9.863 ( 11.983 11.041 4.383) 16.873 9.933 ( -1.328 -4.127 0.222) 4.341 10.024 ( 1.746 -0.178 4.884) 5.190 10.146 ( 0.058 0.003 4.023) 4.023 10.169 ( 1.845 -0.816 1.613) 2.583 10.306 ( 0.486 8.177 6.754) 10.617 11.318 ( 7.035 3.929 -18.107) 19.819 11.586 ( -5.198 0.581 2.902) 5.982 11.623 ( 1.157 -2.503 4.283) 5.094 11.801 ( -5.970 4.333 -1.419) 7.512 11.921 ( 5.529 0.922 6.083) 8.272 12.085 ( -3.581 -3.684 -4.227) 6.653 12.305 ( 6.185 4.830 -3.796) 8.717 12.337 ( 0.481 0.296 12.615) 12.627 12.689 ( 2.971 -2.279 -0.665) 3.803 12.814 ( -1.648 0.550 -6.496) 6.724 13.166 ( -0.232 -9.175 -22.262) 24.079 16.332 ( 0.269 1.108 4.596) 4.735 16.456 ( 0.567 0.209 -0.545) 0.814 17.334 ( -7.009 -5.514 1.714) 9.081 17.623 ( -0.486 2.668 1.426) 3.064 17.653 ( -3.570 -2.439 -4.249) 6.062 17.808 ( 7.190 -3.588 -5.349) 9.653 19.481 ( -2.750 4.274 20.608) 21.225 20.190 ( 0.202 -2.245 -11.648) 11.864 ======================= Grid point 239 (110/215) ======================= q-point: ( 0.17 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 5.196 1.155 25.863) 26.405 2.358 ( 3.900 3.563 -6.090) 8.061 2.476 ( 7.568 7.321 4.771) 11.560 2.702 ( 5.154 8.286 -21.006) 23.162 2.879 ( -3.272 3.506 -6.802) 8.322 3.112 ( 4.645 3.319 6.940) 8.987 3.389 ( 1.022 -5.492 5.392) 7.764 3.503 ( 0.050 0.403 -0.621) 0.742 3.787 ( 0.371 -2.647 -7.243) 7.720 3.848 ( 1.927 2.670 2.336) 4.038 3.992 ( 8.794 8.565 13.381) 18.158 4.018 ( 10.339 5.520 -7.597) 13.967 4.522 ( -3.263 -7.481 -6.828) 10.641 4.642 ( -5.342 -3.213 6.974) 9.354 4.885 ( -0.813 5.589 -0.471) 5.668 5.032 ( 1.616 3.020 1.832) 3.884 5.161 ( 1.672 0.577 0.053) 1.770 5.385 ( -9.164 -3.537 -3.668) 10.485 5.530 ( -11.501 -1.785 1.935) 11.798 5.754 ( -3.242 3.483 -4.939) 6.858 5.910 ( -6.172 -6.395 -0.189) 8.890 6.087 ( -0.326 -2.939 0.954) 3.108 6.371 ( -8.227 7.147 2.958) 11.292 6.549 ( 5.231 3.715 -3.117) 7.133 6.817 ( -3.422 -3.349 5.979) 7.660 7.043 ( 1.803 1.679 1.205) 2.743 7.083 ( -2.171 -0.930 -7.186) 7.564 7.393 ( 2.476 -0.622 3.295) 4.169 7.663 ( 1.907 0.642 -2.484) 3.197 7.669 ( 5.256 0.261 2.099) 5.666 9.108 ( -2.832 -4.669 0.676) 5.502 9.231 ( -0.889 -2.012 -0.692) 2.305 9.243 ( -2.534 -1.427 -0.916) 3.049 9.454 ( -1.320 -2.208 -1.793) 3.136 9.634 ( -0.315 0.043 0.481) 0.577 9.915 ( -1.169 -1.137 0.659) 1.759 9.980 ( -2.113 5.957 -0.479) 6.339 10.088 ( -1.762 4.156 1.978) 4.928 10.212 ( 7.056 -1.069 -1.429) 7.278 10.245 ( 8.613 -1.497 -1.147) 8.817 10.546 ( 8.286 6.901 22.881) 25.294 11.242 ( 8.411 3.946 -16.560) 18.988 11.565 ( -1.702 1.024 2.389) 3.107 11.679 ( -3.518 -5.207 6.183) 8.816 11.738 ( 0.879 6.214 0.118) 6.277 11.983 ( -1.535 -6.646 -6.495) 9.418 12.100 ( 5.255 -1.712 7.803) 9.562 12.330 ( 2.638 5.632 -4.425) 7.633 12.392 ( -2.452 4.731 1.889) 5.654 12.656 ( -4.621 2.770 -9.511) 10.932 12.817 ( 4.307 -2.891 9.919) 11.194 12.980 ( 3.680 -9.633 -14.860) 18.087 16.387 ( 1.061 0.933 3.401) 3.683 16.460 ( 1.280 -0.460 -1.380) 1.938 17.254 ( -5.582 -4.582 2.382) 7.605 17.416 ( -8.581 -5.456 -7.055) 12.376 17.722 ( -1.189 8.842 6.193) 10.861 17.814 ( 1.374 4.048 -6.949) 8.159 19.689 ( 0.715 -0.021 19.086) 19.099 20.055 ( 0.338 -5.843 -12.897) 14.163 ======================= Grid point 240 (111/215) ======================= q-point: ( 0.25 0.11 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 8.184 2.376 -21.029) 22.690 2.448 ( 4.753 0.122 19.598) 20.167 2.535 ( 4.287 12.453 -19.502) 23.533 2.767 ( 2.768 9.548 8.098) 12.821 2.843 ( 2.153 7.825 8.640) 11.853 3.235 ( 1.043 1.755 6.231) 6.557 3.416 ( -2.339 -2.206 1.905) 3.737 3.446 ( -3.307 0.537 -2.500) 4.181 3.741 ( 1.955 -4.684 -4.572) 6.831 3.830 ( -1.314 1.783 -1.495) 2.672 4.019 ( 13.835 5.805 -14.997) 21.213 4.376 ( -2.832 -1.849 -2.918) 4.467 4.437 ( 6.112 -6.129 11.077) 14.058 4.659 ( -1.793 -1.089 11.082) 11.279 4.888 ( 0.997 6.015 0.116) 6.098 5.110 ( 5.686 2.066 2.275) 6.463 5.184 ( -2.065 -4.339 -2.706) 5.515 5.245 ( 0.401 0.290 -2.451) 2.501 5.384 ( -9.080 -2.017 4.005) 10.127 5.607 ( -6.948 5.673 -6.115) 10.856 5.795 ( -7.285 -4.103 0.312) 8.367 6.099 ( 0.639 -1.902 0.663) 2.113 6.295 ( -5.080 8.866 1.895) 10.393 6.570 ( 1.510 3.200 -3.867) 5.242 6.851 ( -0.468 -1.704 4.078) 4.444 6.874 ( -9.091 0.861 -1.897) 9.327 7.150 ( 4.560 1.095 -1.255) 4.855 7.491 ( 4.502 -1.673 3.721) 6.076 7.661 ( 2.033 -0.266 -2.625) 3.331 7.788 ( 6.658 -0.920 1.320) 6.850 9.021 ( -3.720 -4.382 -4.417) 7.249 9.151 ( -1.357 0.389 -4.461) 4.679 9.292 ( -0.757 -1.960 6.688) 7.011 9.415 ( -3.985 -7.202 2.132) 8.502 9.621 ( 1.325 -0.942 -3.490) 3.850 9.881 ( -8.071 2.216 -0.077) 8.370 9.918 ( -1.066 0.696 2.940) 3.204 10.027 ( -3.976 0.902 -1.374) 4.302 10.307 ( 7.913 -1.093 -4.309) 9.076 10.355 ( 7.666 -0.669 -4.306) 8.818 10.965 ( 10.907 2.450 19.973) 22.889 11.232 ( 11.283 5.262 -12.974) 17.981 11.553 ( -6.272 -6.807 5.682) 10.861 11.665 ( -1.709 1.155 0.886) 2.245 11.771 ( 0.249 0.803 -2.398) 2.541 11.920 ( 3.011 -0.109 -3.244) 4.427 12.184 ( -3.842 -5.400 3.434) 7.464 12.291 ( 0.743 1.395 -7.894) 8.051 12.380 ( -2.312 4.300 2.961) 5.710 12.542 ( 4.625 10.501 -4.316) 12.260 12.934 ( 6.643 -8.726 -7.680) 13.389 13.004 ( 1.105 -2.259 12.540) 12.790 16.437 ( 1.422 0.143 1.726) 2.241 16.462 ( 2.059 -1.241 -3.197) 4.000 17.205 ( -4.514 -0.879 1.044) 4.716 17.257 ( -4.955 -5.030 1.433) 7.204 17.702 ( -5.273 10.922 -5.606) 13.361 17.742 ( -4.952 12.758 6.051) 14.964 19.895 ( 1.485 -6.757 8.255) 10.770 19.925 ( 1.957 -8.221 -8.728) 12.149 ======================= Grid point 241 (112/215) ======================= q-point: ( 0.33 0.11 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 16.095 6.520 -8.706) 19.426 2.422 ( 8.519 12.314 -16.339) 22.163 2.705 ( 1.069 -1.138 16.111) 16.186 2.782 ( -0.497 5.896 0.429) 5.932 3.045 ( 0.511 11.158 14.840) 18.574 3.230 ( -8.234 1.691 3.214) 8.999 3.344 ( -8.595 -0.249 0.422) 8.609 3.410 ( 1.098 1.305 0.329) 1.736 3.745 ( 2.211 -1.402 -0.791) 2.735 3.809 ( 2.139 0.170 -2.579) 3.355 4.066 ( 10.308 2.220 -13.616) 17.222 4.258 ( -2.937 -3.417 -4.043) 6.054 4.574 ( 0.765 -5.744 5.910) 8.277 4.781 ( 1.213 -2.275 4.970) 5.599 4.884 ( -1.986 4.027 -2.548) 5.163 5.091 ( -1.214 -2.046 -2.013) 3.117 5.193 ( 0.669 0.762 1.390) 1.720 5.303 ( 6.299 -0.206 -0.310) 6.310 5.413 ( 5.520 0.337 4.105) 6.887 5.447 ( -5.154 7.268 -1.942) 9.119 5.700 ( -5.145 -2.172 0.388) 5.598 6.101 ( 0.392 -0.366 -4.606) 4.637 6.246 ( -1.865 5.722 1.794) 6.280 6.527 ( -1.332 4.333 -3.283) 5.597 6.724 ( -8.582 1.780 2.167) 9.028 6.906 ( -0.370 -3.426 4.397) 5.586 7.178 ( 1.175 3.123 -1.222) 3.553 7.576 ( 2.094 -2.918 -0.801) 3.680 7.680 ( 4.123 -1.319 -1.677) 4.643 7.898 ( 5.821 -1.884 -0.095) 6.119 8.910 ( -4.045 -3.747 -3.324) 6.438 9.122 ( -0.859 4.367 2.002) 4.880 9.308 ( -5.175 -4.857 4.031) 8.162 9.405 ( -0.753 -4.770 3.802) 6.146 9.601 ( 0.800 -3.375 -3.733) 5.096 9.760 ( -5.073 0.730 -1.047) 5.231 9.938 ( 0.549 -2.806 1.055) 3.048 9.979 ( -2.086 0.702 2.388) 3.248 10.353 ( 6.593 -2.805 -8.282) 10.951 10.384 ( 4.054 -4.135 -6.665) 8.829 11.176 ( 2.951 -3.601 -5.707) 7.365 11.353 ( 10.921 5.812 1.957) 12.525 11.466 ( -10.206 -9.877 -1.328) 14.265 11.651 ( -0.193 1.192 2.667) 2.928 11.754 ( 2.776 2.142 -1.024) 3.653 11.962 ( 2.143 4.072 1.363) 4.799 12.124 ( -5.937 -2.990 1.677) 6.856 12.222 ( 3.872 2.347 -6.835) 8.199 12.383 ( 0.081 5.198 1.721) 5.476 12.667 ( 7.269 7.169 4.347) 11.096 12.988 ( 6.262 -5.951 -1.605) 8.787 13.123 ( -2.143 -1.484 9.707) 10.051 16.445 ( 1.741 -1.816 -4.601) 5.243 16.468 ( 1.293 -1.816 -1.125) 2.497 17.170 ( -0.798 5.247 2.823) 6.012 17.259 ( -3.499 1.203 6.327) 7.330 17.563 ( -5.757 8.563 -0.234) 10.321 17.726 ( -6.743 14.350 8.724) 18.097 19.800 ( 4.155 -10.908 -14.971) 18.983 20.015 ( -1.458 -9.896 5.033) 11.198 ======================= Grid point 242 (113/215) ======================= q-point: ( 0.42 0.11 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 11.629 7.531 -5.625) 14.953 2.484 ( 17.368 8.889 -0.649) 19.522 2.777 ( -2.124 5.280 0.903) 5.762 2.836 ( -2.870 1.200 10.719) 11.162 3.144 ( -5.160 5.054 5.369) 8.999 3.168 ( -9.491 4.622 5.305) 11.815 3.199 ( -3.109 2.925 7.139) 8.318 3.423 ( -1.686 2.509 1.117) 3.223 3.779 ( 1.291 1.532 0.892) 2.193 3.818 ( 3.172 -3.998 -4.371) 6.719 4.029 ( 3.957 -1.696 -11.968) 12.719 4.222 ( 2.515 -0.322 -2.666) 3.679 4.573 ( -2.459 -3.702 -4.836) 6.568 4.713 ( -6.937 4.172 -7.951) 11.347 4.878 ( 1.307 -8.125 7.211) 10.942 5.121 ( 2.206 1.488 2.985) 3.999 5.260 ( 4.078 3.688 4.105) 6.862 5.356 ( -4.407 6.400 1.174) 7.859 5.405 ( 6.594 1.093 -0.149) 6.686 5.554 ( 4.684 0.151 -0.083) 4.687 5.645 ( -0.265 -1.052 -1.964) 2.243 5.967 ( -4.373 1.725 -10.707) 11.694 6.348 ( 7.655 0.226 6.152) 9.823 6.458 ( -3.694 4.541 -1.900) 6.154 6.623 ( -8.086 3.513 3.209) 9.382 6.943 ( -0.605 -3.789 4.105) 5.619 7.172 ( 0.030 4.136 -1.213) 4.310 7.529 ( -2.664 -3.074 -6.005) 7.253 7.736 ( 3.985 -0.398 -1.381) 4.236 7.949 ( 1.997 -2.017 -2.915) 4.068 8.857 ( -0.465 -4.665 1.847) 5.039 9.139 ( -2.450 2.737 4.860) 6.092 9.260 ( -5.093 -7.092 3.112) 9.269 9.452 ( 1.523 -0.577 2.433) 2.928 9.562 ( -1.954 -1.779 -0.553) 2.699 9.723 ( 2.860 -2.663 -2.895) 4.864 9.963 ( 1.802 -5.963 0.135) 6.231 10.003 ( -1.010 1.930 5.303) 5.733 10.340 ( 5.014 -4.714 -9.965) 12.110 10.349 ( 1.108 -6.639 -6.558) 9.398 11.069 ( -3.417 -10.165 -9.181) 14.117 11.218 ( -9.769 -13.956 -11.646) 20.636 11.512 ( 7.701 9.794 -0.292) 12.462 11.634 ( -1.855 2.297 -0.938) 3.098 11.853 ( 3.460 6.279 2.771) 7.686 12.028 ( -4.273 -1.758 5.006) 6.812 12.064 ( 2.863 2.563 1.322) 4.064 12.293 ( 8.713 4.380 1.478) 9.863 12.406 ( -0.061 4.844 1.684) 5.129 12.816 ( 3.816 6.697 5.344) 9.379 13.076 ( 3.012 -4.183 2.547) 5.749 13.152 ( -3.493 0.402 4.582) 5.775 16.414 ( 1.764 -2.210 -5.496) 6.180 16.455 ( -0.341 -3.654 -2.531) 4.458 17.212 ( -0.052 16.185 1.122) 16.224 17.245 ( -2.871 6.007 3.709) 7.622 17.579 ( 0.110 1.150 11.446) 11.504 17.752 ( -5.637 10.347 14.395) 18.602 19.722 ( 7.255 -11.562 -14.998) 20.279 19.957 ( -6.689 -11.224 -3.876) 13.629 ======================= Grid point 243 (114/215) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.305 4.517 -2.221) 5.043 2.610 ( -0.547 7.799 -2.573) 8.230 2.834 ( 6.000 5.373 7.408) 10.943 2.869 ( -8.136 6.708 7.484) 12.931 3.094 ( 3.186 4.733 3.848) 6.882 3.193 ( -1.043 -3.656 11.266) 11.891 3.312 ( 3.757 4.880 7.207) 9.480 3.377 ( -4.329 4.276 0.191) 6.088 3.793 ( -0.613 -0.278 0.606) 0.906 3.816 ( 3.840 -5.566 -5.536) 8.739 3.946 ( 2.792 -1.853 -11.668) 12.139 4.231 ( 1.297 2.702 -5.561) 6.317 4.446 ( -1.060 -1.546 -7.649) 7.875 4.515 ( -7.342 4.017 -6.066) 10.336 4.993 ( 1.180 -4.732 8.241) 9.576 5.178 ( -0.214 1.083 2.742) 2.956 5.298 ( -5.285 5.637 3.356) 8.424 5.399 ( 5.392 1.639 5.194) 7.664 5.496 ( 4.555 2.795 -0.214) 5.348 5.547 ( -5.417 -0.122 -2.253) 5.868 5.626 ( 2.997 -1.418 -5.179) 6.150 5.793 ( -1.969 0.553 -8.353) 8.600 6.377 ( -4.110 3.413 0.165) 5.345 6.508 ( 1.774 3.465 0.715) 3.958 6.622 ( 6.030 2.552 6.595) 9.293 6.991 ( 0.223 -1.690 5.355) 5.620 7.160 ( 1.119 2.334 -2.204) 3.400 7.372 ( -6.129 -0.364 -7.951) 10.045 7.766 ( 1.560 0.081 -1.222) 1.984 7.897 ( -2.203 -1.172 -5.097) 5.675 8.945 ( 5.666 -5.832 5.707) 9.934 9.138 ( -2.920 -2.196 1.435) 3.925 9.234 ( -1.976 -7.934 3.668) 8.962 9.480 ( 1.342 -2.478 -1.638) 3.259 9.539 ( -2.896 0.248 2.542) 3.861 9.762 ( 5.302 -1.931 -3.361) 6.568 10.007 ( 1.258 -4.629 4.099) 6.310 10.040 ( -1.426 1.432 3.805) 4.308 10.276 ( -0.770 -5.857 -6.179) 8.548 10.300 ( 2.082 -4.193 -8.269) 9.502 10.907 ( -4.038 -15.713 -9.123) 18.613 10.951 ( -6.418 -17.156 -9.674) 20.715 11.575 ( -1.333 9.051 0.807) 9.184 11.619 ( 3.769 11.247 -3.369) 12.331 11.870 ( -1.382 -2.331 -0.744) 2.810 11.988 ( 0.991 3.687 -2.719) 4.687 12.183 ( 2.315 2.017 7.059) 7.698 12.416 ( -0.328 4.703 1.005) 4.821 12.504 ( 8.936 4.814 8.537) 13.263 12.891 ( -0.098 7.646 2.479) 8.039 13.049 ( -9.890 1.253 3.527) 10.575 13.205 ( 5.299 -2.015 1.517) 5.869 16.383 ( 1.102 -2.328 -4.037) 4.788 16.407 ( -1.310 -3.984 -3.423) 5.413 17.203 ( 0.052 13.046 1.558) 13.139 17.266 ( 1.593 13.034 -0.474) 13.140 17.782 ( 2.647 0.431 17.674) 17.876 17.860 ( -2.644 5.274 16.714) 17.725 19.701 ( 8.135 -11.729 -12.815) 19.182 19.724 ( -10.228 -10.652 -10.891) 18.349 ======================= Grid point 244 (115/215) ======================= q-point: (-0.42 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -18.086 8.224 -5.454) 20.603 2.598 ( -17.506 9.716 7.337) 21.323 2.813 ( 6.196 6.609 -1.126) 9.129 3.035 ( 3.376 1.941 10.503) 11.202 3.134 ( -1.969 -1.918 1.213) 3.004 3.281 ( -2.581 5.488 -0.326) 6.073 3.463 ( 7.545 -1.566 9.098) 11.923 3.476 ( 8.342 -0.386 7.228) 11.045 3.763 ( -1.490 -8.062 -7.026) 10.797 3.811 ( 6.376 -0.109 -7.461) 9.815 3.905 ( 2.761 3.079 -0.393) 4.154 4.064 ( -6.608 5.898 -12.515) 15.332 4.338 ( -7.498 3.964 -5.157) 9.926 4.463 ( 5.086 -0.359 2.212) 5.557 5.077 ( -1.514 0.655 5.654) 5.889 5.160 ( -2.883 2.508 0.072) 3.822 5.230 ( -8.721 0.016 2.292) 9.017 5.378 ( -7.202 2.041 -0.497) 7.502 5.546 ( 4.478 -1.240 2.314) 5.191 5.550 ( 4.226 0.535 -4.065) 5.888 5.622 ( 2.853 -0.626 -0.051) 2.921 5.744 ( 3.574 0.982 -3.946) 5.414 6.345 ( -1.248 2.839 0.606) 3.160 6.545 ( 1.170 4.796 4.429) 6.632 6.793 ( 7.254 1.360 0.486) 7.396 7.051 ( 0.736 2.192 2.913) 3.719 7.106 ( -4.517 -2.016 -7.826) 9.258 7.282 ( 3.727 3.264 3.159) 5.875 7.754 ( -2.158 -0.530 -1.170) 2.512 7.802 ( -2.025 0.736 -3.454) 4.071 9.078 ( -3.742 -5.681 -1.947) 7.075 9.127 ( 7.665 -5.816 5.389) 11.028 9.270 ( 1.471 -7.544 1.854) 7.907 9.461 ( -1.658 -1.137 -0.517) 2.075 9.523 ( 0.304 -3.299 -0.986) 3.456 9.788 ( 2.368 -2.541 -2.864) 4.502 10.026 ( -3.630 -0.671 1.502) 3.985 10.084 ( -1.407 -1.005 5.124) 5.408 10.192 ( -2.519 0.978 -5.212) 5.871 10.234 ( 2.013 -4.343 -4.433) 6.524 10.741 ( -6.052 -14.365 -3.726) 16.027 10.845 ( 1.429 -21.321 -4.648) 21.868 11.533 ( -1.300 8.827 -2.010) 9.146 11.646 ( 1.949 11.296 -0.652) 11.481 11.814 ( -2.866 -2.223 -2.537) 4.426 12.002 ( 1.538 5.388 -0.848) 5.667 12.265 ( 0.557 -1.686 4.016) 4.392 12.433 ( 1.617 5.018 0.497) 5.295 12.709 ( 4.285 4.568 6.074) 8.725 12.854 ( -2.847 5.981 -6.394) 9.207 12.914 ( -11.604 7.281 7.300) 15.523 13.321 ( 6.441 -5.023 2.613) 8.576 16.333 ( -2.508 -2.971 -3.098) 4.972 16.372 ( 1.050 -2.110 -1.986) 3.082 17.247 ( 3.246 11.708 -0.103) 12.150 17.318 ( 6.332 14.397 0.482) 15.735 17.928 ( -5.734 1.735 14.560) 15.745 18.101 ( 7.716 0.434 15.579) 17.391 19.347 ( -16.981 -9.598 -14.047) 24.037 19.755 ( 11.100 -11.606 -8.035) 17.957 ======================= Grid point 245 (116/215) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -21.144 13.177 -3.915) 25.220 2.290 ( -27.433 9.857 4.233) 29.456 2.899 ( 3.003 6.848 -2.821) 7.992 3.066 ( -3.648 -3.551 3.007) 5.912 3.158 ( -2.052 3.555 4.635) 6.191 3.346 ( 6.257 0.566 4.890) 7.961 3.445 ( -20.939 5.657 -9.704) 23.762 3.577 ( 0.156 1.627 -2.669) 3.129 3.622 ( 3.626 -1.250 1.202) 4.019 3.847 ( 0.964 2.374 -9.853) 10.180 3.921 ( 5.105 -6.213 -4.496) 9.213 4.094 ( 9.369 1.094 16.869) 19.328 4.175 ( -4.645 2.739 -4.025) 6.729 4.608 ( 9.417 0.031 2.456) 9.732 5.027 ( -6.827 6.845 0.295) 9.672 5.089 ( -2.741 -3.822 -1.033) 4.816 5.210 ( 1.444 1.133 3.348) 3.818 5.332 ( -1.107 1.663 -0.192) 2.007 5.470 ( -5.805 2.499 -2.161) 6.680 5.602 ( 4.711 -4.177 -2.716) 6.857 5.766 ( 9.038 -1.536 1.161) 9.241 5.814 ( 8.279 1.576 0.207) 8.431 6.325 ( -1.950 2.188 -0.331) 2.950 6.632 ( 1.700 3.350 5.688) 6.816 6.835 ( 0.122 -0.912 -3.680) 3.793 6.959 ( -3.122 1.893 -3.417) 5.001 7.095 ( 2.992 3.999 0.112) 4.995 7.443 ( 6.906 1.871 5.458) 8.999 7.670 ( -4.299 -0.215 -2.511) 4.983 7.773 ( -1.343 1.682 1.268) 2.498 8.986 ( -3.565 -6.306 -3.573) 8.077 9.214 ( -3.886 -0.514 2.302) 4.546 9.287 ( -0.893 -8.381 -0.398) 8.438 9.495 ( 6.277 -4.375 0.608) 7.675 9.541 ( 4.983 -4.740 -2.095) 7.189 9.784 ( -0.100 0.573 -0.366) 0.687 9.968 ( -4.800 -2.580 1.139) 5.567 10.033 ( -3.273 0.184 -3.037) 4.469 10.106 ( 0.675 -1.193 -6.307) 6.454 10.287 ( 0.210 0.752 5.188) 5.247 10.616 ( -10.472 -2.920 3.344) 11.374 10.890 ( 7.151 -24.912 1.545) 25.964 11.522 ( 3.136 4.399 -2.207) 5.836 11.665 ( 0.011 8.369 0.171) 8.371 11.747 ( -1.575 -0.815 -1.269) 2.181 11.960 ( -6.719 7.584 0.175) 10.134 12.304 ( 0.316 -2.553 -0.037) 2.573 12.473 ( 3.554 3.460 -0.343) 4.972 12.628 ( -5.591 2.026 -9.768) 11.436 12.813 ( -7.712 7.686 6.999) 12.944 12.851 ( -1.324 7.004 0.172) 7.130 13.469 ( 8.287 -8.447 2.581) 12.112 16.260 ( -2.857 -1.512 -1.749) 3.675 16.379 ( 1.116 -1.518 -0.089) 1.887 17.303 ( 5.523 12.864 -1.770) 14.111 17.456 ( 8.251 13.147 1.079) 15.559 17.963 ( -3.367 2.335 5.440) 6.811 18.387 ( 8.900 -2.101 10.337) 13.801 18.899 ( -21.020 -8.438 -9.971) 24.748 19.870 ( 9.783 -11.772 -1.536) 15.383 ======================= Grid point 246 (117/215) ======================= q-point: (-0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -21.553 17.909 2.489) 28.133 1.843 ( -29.618 13.176 -2.360) 32.502 2.778 ( -23.623 10.950 1.978) 26.113 2.895 ( -22.124 9.038 0.374) 23.901 3.110 ( -0.509 -4.064 4.046) 5.757 3.180 ( -1.780 2.299 4.497) 5.355 3.524 ( 1.401 1.905 -1.280) 2.689 3.540 ( 3.120 1.672 -1.110) 3.710 3.653 ( 2.971 -2.434 -7.660) 8.569 3.722 ( -2.651 4.599 -1.225) 5.448 3.917 ( 2.339 -6.887 -7.117) 10.176 4.165 ( 4.778 3.065 0.830) 5.737 4.459 ( 12.336 -4.833 13.608) 18.993 4.797 ( 11.081 0.297 0.475) 11.095 4.952 ( -4.344 4.741 3.086) 7.133 5.050 ( -0.421 -6.145 -2.757) 6.749 5.266 ( 3.009 1.888 -4.152) 5.465 5.291 ( -3.540 3.232 3.831) 6.136 5.408 ( 1.655 5.009 -1.658) 5.529 5.659 ( 6.858 -5.600 -3.787) 9.630 5.894 ( 7.309 -2.988 -0.560) 7.916 5.977 ( 8.369 0.194 1.793) 8.561 6.290 ( -0.119 1.307 -0.694) 1.485 6.695 ( 0.666 3.713 0.289) 3.783 6.780 ( -2.587 -2.730 1.469) 4.038 6.916 ( -1.096 2.718 -0.486) 2.970 7.130 ( 0.756 5.145 -0.212) 5.204 7.558 ( 0.952 -0.245 -0.100) 0.988 7.590 ( -0.913 2.507 -1.158) 2.909 7.772 ( -1.926 0.885 2.642) 3.387 8.903 ( -1.616 -4.404 -2.775) 5.451 9.119 ( -8.188 4.467 0.667) 9.352 9.262 ( -2.402 -8.514 2.382) 9.161 9.525 ( -1.606 -3.341 -3.655) 5.206 9.622 ( 4.665 -4.887 -1.041) 6.836 9.833 ( 3.992 1.505 4.414) 6.139 9.925 ( -1.210 -0.784 0.638) 1.576 9.973 ( 1.552 -0.691 -5.351) 5.615 10.074 ( 1.409 -2.195 -1.858) 3.202 10.301 ( -3.011 -1.629 1.142) 3.609 10.475 ( -13.945 6.482 6.760) 16.798 11.111 ( 11.689 -20.520 10.394) 25.802 11.569 ( 5.001 1.090 -2.532) 5.710 11.630 ( -2.101 6.515 -0.933) 6.909 11.772 ( 1.745 -1.827 3.852) 4.607 11.818 ( -9.378 5.228 -0.953) 10.779 12.223 ( -6.542 5.088 -4.383) 9.376 12.462 ( -3.485 0.047 -6.897) 7.727 12.530 ( 1.493 -0.108 0.807) 1.701 12.751 ( -3.954 4.958 1.276) 6.469 12.812 ( -1.403 3.731 -4.034) 5.671 13.618 ( 8.487 -10.144 -1.085) 13.271 16.212 ( -2.280 -0.272 0.715) 2.405 16.401 ( 1.013 -0.777 0.851) 1.535 17.380 ( 5.888 12.422 -1.408) 13.819 17.548 ( 3.416 9.597 -3.276) 10.700 17.965 ( 2.979 5.449 -3.858) 7.311 18.375 ( -9.113 -3.876 -19.110) 21.523 18.721 ( -4.030 -6.762 22.455) 23.795 20.023 ( 7.481 -11.056 4.116) 13.970 ======================= Grid point 247 (118/215) ======================= q-point: (-0.17 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -23.614 19.768 3.767) 31.026 1.383 ( -23.112 18.873 8.966) 31.157 2.332 ( -39.193 22.112 24.764) 51.364 2.728 ( -5.994 5.090 -1.265) 7.965 3.125 ( -6.912 -0.942 1.159) 7.072 3.175 ( -2.001 -2.303 2.688) 4.066 3.430 ( -5.464 3.017 -0.229) 6.246 3.481 ( 0.643 1.087 -7.181) 7.292 3.724 ( 6.658 3.352 -3.428) 8.205 3.754 ( 7.430 2.200 -0.732) 7.784 3.883 ( 4.617 -7.110 -8.231) 11.816 4.263 ( 3.510 2.183 3.132) 5.187 4.733 ( 8.819 -6.333 2.775) 11.206 4.900 ( -0.054 2.254 0.268) 2.270 4.953 ( -1.681 -3.238 1.922) 4.124 5.050 ( 4.104 -3.648 2.828) 6.176 5.252 ( -0.200 0.908 -2.919) 3.063 5.294 ( 0.058 4.345 2.691) 5.111 5.477 ( 11.411 2.987 -5.352) 12.953 5.722 ( 6.579 -3.499 -4.349) 8.628 5.971 ( 1.425 -2.820 0.425) 3.188 6.086 ( 5.623 -4.422 -0.589) 7.178 6.351 ( 6.588 -1.452 1.254) 6.862 6.657 ( -1.095 4.508 -3.687) 5.925 6.791 ( -2.514 -0.743 4.911) 5.567 6.897 ( -1.476 1.025 0.618) 1.900 7.113 ( -1.295 6.582 -1.133) 6.803 7.515 ( -3.000 -0.214 0.457) 3.042 7.572 ( -1.192 1.408 -3.909) 4.322 7.753 ( -2.273 -0.477 -0.085) 2.324 8.901 ( 2.510 -0.532 1.432) 2.938 9.006 ( -6.016 5.251 0.850) 8.030 9.288 ( 0.048 -3.059 5.823) 6.578 9.425 ( -5.540 0.094 -0.930) 5.618 9.652 ( 0.151 -5.651 0.317) 5.662 9.872 ( -4.223 3.528 -1.910) 5.825 9.951 ( 2.654 -3.845 1.819) 5.014 9.976 ( 2.082 1.148 1.087) 2.614 10.114 ( 4.595 -2.189 -1.240) 5.238 10.240 ( -3.278 -0.632 -0.748) 3.421 10.333 ( -12.845 7.849 5.301) 15.959 11.440 ( 11.495 -11.266 8.084) 18.011 11.585 ( 2.481 2.909 -0.961) 3.942 11.622 ( -1.702 3.643 0.785) 4.096 11.686 ( -3.304 1.841 0.522) 3.818 11.865 ( 2.297 -5.317 5.920) 8.282 12.071 ( -4.670 6.683 -4.351) 9.241 12.336 ( -4.331 -0.140 -4.999) 6.616 12.510 ( -4.144 -1.216 1.964) 4.744 12.666 ( -8.745 5.469 -0.350) 10.320 12.799 ( 9.466 -2.110 -8.830) 13.116 13.690 ( 6.488 -10.318 -8.117) 14.644 16.206 ( -1.424 0.356 3.265) 3.580 16.426 ( 0.734 -0.017 1.029) 1.264 17.428 ( 2.953 8.625 -5.723) 10.764 17.505 ( -1.141 3.626 -2.726) 4.678 17.919 ( -0.124 -0.066 -14.194) 14.194 18.080 ( -5.103 4.438 -5.546) 8.747 18.938 ( -0.478 -4.871 20.012) 20.602 20.191 ( 6.781 -7.963 4.992) 11.589 ======================= Grid point 248 (119/215) ======================= q-point: (-0.08 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -9.489 15.334 21.038) 27.709 1.317 ( -15.572 13.811 26.448) 33.656 2.199 ( -20.117 31.787 37.735) 53.283 2.670 ( -0.644 5.076 1.379) 5.299 2.922 ( -8.868 1.510 -7.123) 11.474 3.199 ( -0.713 -4.629 2.079) 5.124 3.374 ( -3.573 0.546 -2.304) 4.287 3.415 ( 2.364 2.575 -8.810) 9.478 3.756 ( -0.546 4.480 1.649) 4.805 3.857 ( 5.765 -6.445 -7.652) 11.547 3.912 ( 12.363 3.809 -6.701) 14.569 4.332 ( 0.028 -1.045 4.117) 4.248 4.755 ( 1.021 -5.927 -10.978) 12.518 4.888 ( -1.174 0.093 1.640) 2.019 4.899 ( -5.531 0.111 -2.129) 5.927 5.150 ( -2.733 -1.381 -6.781) 7.440 5.177 ( 0.056 -2.646 8.272) 8.685 5.427 ( 9.058 1.161 5.877) 10.860 5.617 ( 12.573 -1.072 -5.623) 13.815 5.773 ( 5.156 -0.655 -3.518) 6.276 5.952 ( -4.279 -2.118 1.644) 5.050 6.155 ( 3.527 -7.736 -1.700) 8.670 6.458 ( 4.748 -3.602 0.329) 5.968 6.624 ( 1.507 6.768 -2.358) 7.323 6.793 ( -3.037 -1.393 3.897) 5.134 6.880 ( -2.410 -2.370 1.317) 3.627 7.105 ( 2.479 5.030 0.406) 5.622 7.433 ( -5.889 -1.045 -3.347) 6.854 7.519 ( -2.429 1.281 2.681) 3.838 7.721 ( -0.140 1.019 -1.858) 2.124 8.928 ( -2.742 0.274 3.920) 4.792 9.052 ( 7.484 6.290 4.433) 10.735 9.366 ( -2.592 2.036 3.069) 4.504 9.387 ( 3.545 2.660 5.887) 7.369 9.656 ( -0.680 -2.337 1.811) 3.034 9.729 ( -10.683 4.032 -0.439) 11.427 9.990 ( 0.752 -2.851 0.088) 2.950 10.025 ( 1.760 1.274 0.631) 2.262 10.114 ( -3.781 0.078 -0.829) 3.871 10.182 ( -9.976 2.828 3.928) 11.088 10.241 ( 2.278 3.166 0.318) 3.914 11.473 ( 2.376 -0.418 -9.718) 10.013 11.562 ( -1.873 -0.830 0.244) 2.063 11.707 ( 1.477 4.818 2.053) 5.441 11.744 ( 1.931 -0.100 3.843) 4.302 11.947 ( -0.209 -2.676 3.495) 4.407 12.021 ( -0.500 0.547 5.178) 5.231 12.232 ( -1.600 1.268 -3.441) 4.000 12.423 ( -8.483 4.328 -5.280) 10.889 12.595 ( 2.499 -4.106 3.144) 5.743 12.852 ( 8.394 -1.565 -8.296) 11.905 13.630 ( 2.765 -9.489 -16.002) 18.808 16.234 ( -0.910 0.624 4.784) 4.910 16.445 ( 0.416 0.587 0.590) 0.931 17.381 ( 2.752 -0.140 -3.687) 4.603 17.492 ( -3.206 -0.327 3.059) 4.443 17.751 ( -0.321 -5.395 -9.309) 10.764 17.991 ( -2.043 7.588 -5.960) 9.863 19.139 ( -2.154 -0.876 19.624) 19.762 20.313 ( 5.594 -3.020 -2.811) 6.951 ======================= Grid point 249 (120/215) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 3.577 17.415 18.418) 25.598 1.700 ( -1.240 14.474 21.150) 25.659 2.704 ( -0.869 1.411 -8.827) 8.981 2.895 ( 2.429 3.462 2.962) 5.163 3.086 ( -1.573 -5.052 3.155) 6.161 3.142 ( -0.433 17.584 13.461) 22.149 3.247 ( -2.744 0.565 -8.980) 9.407 3.363 ( 2.315 1.755 -12.374) 12.711 3.632 ( 1.571 0.274 0.877) 1.820 3.946 ( 1.494 2.558 -1.896) 3.517 4.047 ( 0.768 3.056 1.267) 3.396 4.222 ( -1.317 -3.069 -1.178) 3.541 4.688 ( -2.644 2.546 -6.329) 7.316 4.709 ( -2.875 1.011 0.790) 3.148 4.989 ( 0.134 5.873 1.936) 6.185 5.024 ( -1.226 -1.227 -0.491) 1.803 5.216 ( -3.881 0.563 6.338) 7.453 5.604 ( -0.210 -3.711 -3.194) 4.901 5.638 ( 8.747 -0.117 2.185) 9.017 5.813 ( -4.589 1.767 -0.203) 4.922 5.867 ( 2.989 -1.473 -1.390) 3.610 6.012 ( 1.973 -5.577 -3.504) 6.876 6.383 ( 0.886 -8.627 2.319) 8.977 6.617 ( -3.640 -3.537 -4.455) 6.753 6.765 ( -3.132 0.185 3.020) 4.354 6.849 ( 5.089 1.736 -0.402) 5.392 7.277 ( 3.718 4.943 1.037) 6.272 7.328 ( -3.844 1.487 -1.142) 4.277 7.580 ( -1.463 3.737 3.883) 5.584 7.742 ( -0.367 2.274 -1.253) 2.622 8.953 ( -0.595 0.065 3.755) 3.802 9.294 ( 2.102 3.416 0.435) 4.034 9.457 ( 0.381 -2.179 0.413) 2.250 9.580 ( 2.670 3.677 -4.156) 6.158 9.607 ( -4.116 2.182 6.437) 7.946 9.804 ( 3.701 -2.958 0.881) 4.819 9.855 ( 1.179 -2.715 0.117) 2.962 9.984 ( -0.907 0.484 -2.703) 2.892 10.089 ( -4.218 -3.019 7.144) 8.828 10.133 ( 1.502 2.256 4.955) 5.648 10.503 ( -3.796 16.256 8.252) 18.622 11.483 ( 5.927 4.637 -10.028) 12.537 11.528 ( -5.985 -1.007 4.832) 7.758 11.729 ( -5.480 2.599 1.002) 6.148 11.819 ( -0.307 -3.407 3.184) 4.673 11.964 ( 4.499 3.947 -5.797) 8.333 12.102 ( 3.745 -1.578 11.943) 12.616 12.179 ( -4.757 -2.292 -4.622) 7.018 12.332 ( 4.416 2.880 -6.471) 8.347 12.656 ( 2.791 1.856 -1.330) 3.606 12.860 ( 4.001 0.565 -5.216) 6.598 13.197 ( -4.222 -12.760 -15.085) 20.204 16.314 ( 0.194 2.573 4.765) 5.419 16.473 ( -0.512 1.274 0.588) 1.494 17.356 ( -3.187 -5.581 1.784) 6.669 17.394 ( 5.056 -2.044 -1.908) 5.778 17.584 ( 6.005 -8.920 -4.532) 11.669 17.861 ( -6.318 -1.745 -15.010) 16.379 19.435 ( -1.336 8.600 21.430) 23.130 20.272 ( -0.679 -2.195 -3.996) 4.609 ======================= Grid point 250 (121/215) ======================= q-point: ( 0.08 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 3.688 12.032 20.259) 23.849 2.120 ( 16.013 8.514 23.628) 29.786 2.616 ( 4.042 1.873 -13.761) 14.464 2.879 ( -0.959 -3.452 -17.843) 18.199 3.049 ( 4.911 2.566 0.439) 5.558 3.118 ( 0.585 1.101 -4.002) 4.191 3.176 ( -1.242 -4.022 -0.991) 4.324 3.436 ( 5.171 -1.831 1.027) 5.581 3.741 ( 2.310 8.272 9.191) 12.579 3.920 ( -1.936 0.331 -1.844) 2.694 4.073 ( -0.494 13.122 6.290) 14.560 4.194 ( -0.715 2.530 -0.550) 2.686 4.536 ( -4.556 -1.461 -5.596) 7.363 4.686 ( -2.533 7.810 0.134) 8.212 5.015 ( -0.255 3.878 0.255) 3.895 5.036 ( 1.547 2.962 2.280) 4.045 5.189 ( -4.458 0.510 2.446) 5.111 5.503 ( -6.450 -2.469 -4.172) 8.068 5.648 ( -12.228 -4.362 1.059) 13.026 5.791 ( 5.390 0.813 -0.211) 5.456 5.892 ( 0.491 -0.250 -2.897) 2.948 6.011 ( 2.303 -3.059 -1.344) 4.058 6.423 ( -1.275 -7.650 3.498) 8.508 6.542 ( 1.915 -3.523 -3.094) 5.064 6.757 ( -1.860 1.262 2.900) 3.669 6.959 ( 8.770 2.003 -1.376) 9.100 7.237 ( -5.218 1.593 -2.325) 5.931 7.354 ( 2.700 3.694 1.645) 4.862 7.609 ( 0.651 2.738 3.094) 4.183 7.720 ( -0.556 2.873 -1.105) 3.128 9.013 ( -0.313 -2.155 6.506) 6.861 9.269 ( -3.294 -2.450 -4.579) 6.150 9.326 ( -7.649 1.380 -0.950) 7.830 9.529 ( -3.087 1.264 -5.627) 6.541 9.646 ( -2.458 0.732 3.007) 3.952 9.817 ( 2.254 -7.616 1.562) 8.095 9.982 ( 6.197 -0.132 -0.629) 6.230 10.005 ( 5.738 -4.599 1.759) 7.561 10.141 ( -1.369 2.102 8.117) 8.496 10.212 ( 2.020 6.887 4.200) 8.315 10.567 ( -0.754 15.527 10.945) 19.011 11.370 ( -6.811 -1.958 -3.191) 7.772 11.537 ( 0.476 1.527 0.150) 1.607 11.704 ( 0.875 5.237 1.261) 5.457 11.857 ( -0.156 -4.873 1.967) 5.257 11.919 ( 0.518 5.415 -6.826) 8.729 12.042 ( -2.367 -0.858 -2.757) 3.733 12.339 ( 6.461 -0.243 10.492) 12.324 12.407 ( 9.209 3.310 -3.127) 10.273 12.644 ( 0.746 -0.881 -4.682) 4.822 12.847 ( 0.685 2.701 -4.406) 5.213 12.941 ( -4.599 -10.668 -15.256) 19.175 16.369 ( 0.143 2.516 4.446) 5.111 16.465 ( -0.725 0.694 -0.082) 1.007 17.261 ( -3.585 -1.548 -2.711) 4.754 17.539 ( -7.273 -7.820 -10.057) 14.669 17.598 ( 10.800 -5.410 6.297) 13.622 17.730 ( 11.731 -3.847 -7.679) 14.539 19.608 ( -5.689 7.643 19.898) 22.062 20.145 ( -6.350 -1.895 -7.470) 9.986 ======================= Grid point 251 (122/215) ======================= q-point: ( 0.17 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 6.687 8.186 18.518) 21.323 2.422 ( 3.080 3.955 -18.909) 19.562 2.664 ( 15.419 7.892 18.089) 25.045 2.772 ( 8.627 -0.380 -12.746) 15.395 2.986 ( -1.678 5.723 -8.223) 10.158 3.196 ( 0.682 -3.196 3.910) 5.096 3.233 ( 7.091 -2.733 4.594) 8.880 3.475 ( 3.308 -3.457 -5.743) 7.475 3.771 ( -3.630 1.538 -0.419) 3.964 3.860 ( -1.750 -0.793 -1.929) 2.722 4.188 ( 3.279 8.094 -2.568) 9.103 4.196 ( 1.887 4.844 5.309) 7.431 4.456 ( -4.257 6.006 5.369) 9.112 4.656 ( -3.463 7.180 3.872) 8.862 4.997 ( -1.106 5.061 0.064) 5.181 5.089 ( 1.908 2.753 2.319) 4.074 5.155 ( -0.268 -1.840 -2.626) 3.218 5.350 ( -5.512 1.214 -3.618) 6.704 5.454 ( -12.552 -4.791 1.423) 13.511 5.812 ( -0.873 2.283 -4.186) 4.847 5.825 ( -3.658 -3.428 -1.902) 5.361 6.036 ( 0.504 -1.758 1.088) 2.128 6.420 ( -1.901 -1.523 2.073) 3.199 6.610 ( 6.768 -0.356 -0.516) 6.797 6.770 ( -0.917 0.901 3.066) 3.325 7.041 ( 1.891 -2.878 -7.197) 7.978 7.134 ( -1.712 6.695 1.927) 7.174 7.401 ( 1.280 1.858 2.130) 3.103 7.673 ( 3.225 0.166 2.246) 3.934 7.700 ( -0.412 2.689 -1.117) 2.941 9.021 ( -5.284 -3.555 0.962) 6.441 9.182 ( -1.302 -2.089 -0.165) 2.467 9.229 ( -3.903 -0.274 -0.392) 3.932 9.406 ( -5.817 -1.213 -2.478) 6.438 9.643 ( -0.412 -0.701 0.403) 0.908 9.826 ( -0.345 -5.947 -1.110) 6.060 10.013 ( -1.643 -3.888 -1.555) 4.498 10.106 ( 1.858 -4.114 0.193) 4.518 10.189 ( -0.629 1.225 4.600) 4.802 10.298 ( 5.288 5.404 -0.409) 7.572 10.758 ( 5.018 12.456 17.632) 22.163 11.277 ( -4.318 -2.913 4.174) 6.675 11.504 ( -1.626 -0.446 -4.876) 5.159 11.754 ( 4.289 6.090 -1.608) 7.620 11.800 ( -4.651 -3.206 -1.923) 5.967 11.906 ( 3.307 2.947 -1.105) 4.565 12.055 ( 3.390 -1.622 -0.785) 3.839 12.404 ( 2.697 0.652 -8.910) 9.332 12.504 ( -0.949 4.726 -1.108) 4.946 12.685 ( 7.309 -4.743 5.350) 10.225 12.733 ( 1.637 -1.762 -10.455) 10.728 12.853 ( 0.292 1.983 1.531) 2.522 16.413 ( 0.001 1.253 2.944) 3.199 16.452 ( -0.443 -0.008 -0.521) 0.684 17.202 ( -1.243 -0.360 -0.663) 1.454 17.315 ( -5.347 -3.913 -8.232) 10.567 17.834 ( 7.950 0.246 6.837) 10.488 17.850 ( 10.531 -0.835 -5.906) 12.102 19.706 ( -7.594 1.866 17.069) 18.775 19.929 ( -7.790 -5.170 -10.085) 13.752 ======================= Grid point 252 (123/215) ======================= q-point: ( 0.25 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 9.952 8.420 -14.492) 19.493 2.502 ( 6.302 5.013 14.777) 16.829 2.750 ( 7.544 6.270 -16.886) 19.529 2.911 ( -0.380 5.901 -0.545) 5.938 3.054 ( 6.136 9.624 16.959) 20.443 3.245 ( 0.928 -3.828 2.637) 4.740 3.383 ( 5.048 0.864 0.595) 5.156 3.420 ( -1.011 -3.333 -4.297) 5.531 3.675 ( -2.194 -0.256 -3.681) 4.293 3.875 ( 2.495 1.938 2.273) 3.892 4.133 ( -0.328 2.138 -7.148) 7.468 4.293 ( 4.520 0.560 0.353) 4.568 4.455 ( -5.693 3.241 6.385) 9.148 4.677 ( -2.298 4.802 6.174) 8.153 5.000 ( -0.108 4.362 0.981) 4.472 5.101 ( -0.963 -2.629 -3.121) 4.193 5.158 ( 3.992 1.989 1.088) 4.591 5.273 ( -0.256 1.821 -3.222) 3.710 5.343 ( -2.598 -0.401 3.388) 4.288 5.677 ( -7.617 0.096 -3.291) 8.299 5.767 ( -2.061 1.694 -2.423) 3.604 6.057 ( 0.393 -1.881 1.328) 2.336 6.410 ( -1.024 2.368 -0.462) 2.621 6.682 ( 1.885 4.747 -0.720) 5.158 6.793 ( -0.792 -2.003 3.537) 4.141 6.891 ( -7.226 -0.035 -4.723) 8.632 7.204 ( 3.657 4.613 1.367) 6.044 7.461 ( 2.777 -0.659 2.808) 4.004 7.672 ( -0.839 1.345 -1.472) 2.163 7.758 ( 4.872 -1.951 0.952) 5.333 8.920 ( -5.267 -4.530 -2.436) 7.362 9.170 ( -0.311 1.341 0.825) 1.605 9.227 ( 0.183 -4.462 3.476) 5.660 9.298 ( -5.819 -3.059 -0.383) 6.585 9.621 ( -0.030 0.103 -3.950) 3.951 9.789 ( -4.154 -6.873 0.062) 8.031 9.938 ( -5.474 -3.287 -0.682) 6.421 10.049 ( -5.148 1.716 -0.363) 5.439 10.232 ( 1.574 -6.604 -0.490) 6.806 10.332 ( 2.181 -2.138 -4.536) 5.468 11.058 ( 6.934 5.666 12.241) 15.166 11.329 ( 0.667 0.132 8.428) 8.455 11.415 ( 0.479 0.125 -5.869) 5.890 11.657 ( -4.930 -7.387 -5.825) 10.621 11.801 ( 4.169 8.156 -3.572) 9.832 11.994 ( 3.350 2.874 2.117) 4.895 12.069 ( -0.394 -4.585 0.556) 4.635 12.314 ( 2.218 1.943 -9.621) 10.062 12.460 ( -0.752 1.331 -0.689) 1.677 12.698 ( 6.008 3.095 -8.307) 10.709 12.868 ( 7.552 5.259 3.557) 9.866 12.949 ( 1.409 -1.918 11.802) 12.040 16.426 ( 0.563 -1.933 -1.921) 2.783 16.440 ( -1.237 -0.194 0.764) 1.467 17.212 ( 1.221 1.926 0.849) 2.434 17.224 ( 0.394 1.620 1.528) 2.261 17.884 ( 3.229 5.763 -7.480) 9.979 17.996 ( 1.282 9.147 8.159) 12.324 19.692 ( -5.549 -11.016 -12.324) 17.436 19.754 ( -6.642 -7.397 11.576) 15.259 ======================= Grid point 253 (124/215) ======================= q-point: ( 0.33 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 15.200 11.764 -4.148) 19.663 2.664 ( 6.841 9.103 -15.607) 19.319 2.729 ( 3.395 3.280 11.071) 12.036 2.931 ( 0.230 7.494 2.809) 8.006 3.184 ( -5.328 -1.575 2.867) 6.252 3.274 ( -4.221 5.843 9.568) 11.979 3.328 ( -0.268 -3.101 -6.344) 7.066 3.445 ( 2.948 2.209 0.542) 3.723 3.716 ( 6.493 0.886 1.377) 6.696 3.917 ( -2.716 7.921 2.968) 8.884 4.058 ( -1.325 -1.274 -4.176) 4.563 4.300 ( -0.686 5.494 -3.264) 6.427 4.471 ( 1.896 -2.462 2.285) 3.857 4.690 ( -1.690 -4.971 3.050) 6.072 4.946 ( -4.938 1.762 -4.466) 6.887 5.106 ( 2.731 2.121 1.196) 3.659 5.217 ( 1.322 1.403 3.589) 4.074 5.311 ( 8.514 1.354 -2.949) 9.111 5.425 ( 6.359 0.924 2.476) 6.886 5.542 ( -6.004 1.988 0.384) 6.336 5.710 ( -1.453 3.627 -2.776) 4.792 6.070 ( 0.678 -2.048 -1.593) 2.682 6.358 ( -2.611 4.165 -2.686) 5.602 6.663 ( -1.598 6.911 -1.133) 7.183 6.752 ( -7.651 0.325 2.045) 7.926 6.826 ( -0.752 -3.335 3.579) 4.949 7.254 ( 1.435 4.373 0.402) 4.620 7.509 ( -0.044 -2.832 -0.623) 2.900 7.671 ( 2.361 0.577 0.599) 2.503 7.844 ( 4.680 -3.257 0.159) 5.704 8.815 ( -3.373 -4.938 -3.376) 6.867 9.175 ( -2.589 -1.137 2.307) 3.650 9.198 ( -5.488 -5.471 0.298) 7.755 9.315 ( 3.786 -2.218 4.721) 6.445 9.555 ( -0.195 -0.791 -7.288) 7.333 9.694 ( -6.178 -6.232 -0.721) 8.805 9.846 ( -4.818 -6.270 0.208) 7.910 10.006 ( -1.802 0.512 3.095) 3.618 10.219 ( -1.210 -9.338 -2.573) 9.761 10.284 ( 0.092 -5.090 -5.734) 7.667 11.077 ( -2.375 -5.885 -10.953) 12.659 11.274 ( -7.326 -7.300 -12.169) 15.970 11.505 ( 10.903 7.771 1.674) 13.493 11.690 ( 1.099 1.624 10.026) 10.216 11.805 ( 3.573 3.226 0.813) 4.882 12.017 ( -1.964 -0.107 2.453) 3.144 12.072 ( 0.370 0.700 0.476) 0.924 12.314 ( 7.181 6.304 -5.823) 11.191 12.494 ( 0.545 3.491 6.029) 6.988 12.726 ( 7.291 0.131 -4.720) 8.686 13.021 ( 4.149 8.025 7.056) 11.463 13.097 ( 1.906 -0.062 8.883) 9.085 16.397 ( 0.593 -2.709 -4.342) 5.152 16.419 ( -1.664 -2.691 -0.616) 3.224 17.277 ( 3.341 5.695 4.875) 8.207 17.335 ( 5.059 5.868 8.416) 11.439 17.795 ( -3.747 11.443 -6.281) 13.580 18.056 ( -5.226 15.737 8.389) 18.583 19.496 ( -0.072 -17.262 -14.056) 22.261 19.745 ( -6.161 -14.917 4.354) 16.716 ======================= Grid point 254 (125/215) ======================= q-point: ( 0.42 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 7.616 8.656 -3.403) 12.021 2.676 ( 9.685 7.077 -3.019) 12.369 2.858 ( 3.633 4.538 2.597) 6.367 2.980 ( 1.011 8.465 5.097) 9.933 3.096 ( -6.114 -2.560 2.808) 7.199 3.234 ( -1.953 -1.044 -2.165) 3.097 3.352 ( -0.564 6.335 6.966) 9.433 3.495 ( -0.530 4.831 3.210) 5.824 3.809 ( 0.801 -1.547 -3.273) 3.708 3.833 ( -4.896 6.015 -0.731) 7.790 4.000 ( -1.700 2.817 -0.297) 3.303 4.269 ( 2.314 2.325 -3.513) 4.806 4.517 ( 2.602 0.516 -2.923) 3.947 4.703 ( -3.396 -5.268 2.417) 6.718 4.817 ( -1.178 3.261 -2.530) 4.292 5.170 ( 1.875 1.586 2.071) 3.212 5.292 ( 0.042 0.523 7.004) 7.024 5.432 ( 7.715 1.513 -3.002) 8.415 5.450 ( 0.623 2.859 -0.179) 2.931 5.575 ( 3.367 -0.437 1.681) 3.789 5.659 ( -0.021 4.648 -3.998) 6.131 5.984 ( -4.468 -0.517 -9.130) 10.178 6.374 ( 5.401 2.446 4.713) 7.574 6.609 ( -5.433 8.670 0.188) 10.233 6.684 ( -3.016 1.822 2.080) 4.092 6.869 ( -0.331 -3.012 6.096) 6.807 7.255 ( -0.681 3.907 -1.472) 4.230 7.459 ( -2.899 -3.218 -3.017) 5.279 7.732 ( 2.943 0.181 0.893) 3.081 7.890 ( 1.667 -3.534 -1.667) 4.248 8.759 ( 0.108 -4.635 -0.846) 4.713 9.110 ( -4.172 -7.279 -0.671) 8.416 9.146 ( -5.025 -2.257 2.153) 5.915 9.391 ( 0.784 -5.297 -1.691) 5.615 9.496 ( 2.365 -4.760 -3.628) 6.435 9.621 ( -1.199 -6.179 -0.437) 6.310 9.811 ( -2.084 -8.918 3.671) 9.867 10.054 ( 1.641 0.865 5.454) 5.761 10.145 ( -2.380 -11.074 -4.017) 12.018 10.227 ( -0.275 -4.027 -4.632) 6.144 10.868 ( -4.103 -9.233 -15.056) 18.132 10.959 ( -7.320 -10.122 -20.583) 24.077 11.658 ( 1.457 1.427 -1.825) 2.737 11.705 ( 5.988 7.314 2.256) 9.718 11.931 ( -4.225 -0.154 -3.571) 5.535 12.030 ( 4.282 4.942 11.488) 13.218 12.178 ( 3.083 7.796 9.134) 12.398 12.375 ( 8.216 3.055 -3.106) 9.300 12.553 ( -1.541 7.090 5.026) 8.826 12.830 ( 6.162 -3.478 2.187) 7.406 13.140 ( -1.267 7.758 9.453) 12.294 13.211 ( 3.208 6.822 4.670) 8.868 16.355 ( 0.770 -3.242 -4.798) 5.842 16.375 ( -1.824 -3.895 -2.022) 4.752 17.389 ( 1.998 7.692 5.953) 9.930 17.550 ( 8.194 12.042 8.536) 16.883 17.672 ( -4.600 10.040 -0.187) 11.045 18.036 ( -8.463 16.038 8.992) 20.241 19.387 ( 5.784 -19.989 -13.556) 24.835 19.642 ( -7.979 -18.085 -3.151) 20.016 ======================= Grid point 255 (126/215) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -4.157 2.728 -2.871) 5.741 2.755 ( 6.795 5.022 -0.157) 8.450 2.961 ( 4.414 4.801 1.902) 6.793 3.018 ( -6.823 3.336 4.900) 9.039 3.143 ( 3.969 2.718 8.054) 9.381 3.194 ( -0.082 4.539 -1.001) 4.649 3.438 ( 3.077 6.480 5.135) 8.822 3.486 ( -4.967 5.975 3.015) 8.334 3.647 ( -4.169 -6.057 -6.123) 9.569 3.821 ( 2.832 -2.101 -8.781) 9.462 4.008 ( 0.151 9.195 4.174) 10.099 4.292 ( 2.889 0.542 -0.846) 3.059 4.479 ( -0.754 7.253 -5.311) 9.021 4.593 ( -5.062 3.931 -4.250) 7.690 4.910 ( 4.245 -2.159 7.831) 9.165 5.189 ( -2.199 -1.324 1.312) 2.883 5.350 ( -3.373 0.724 5.642) 6.613 5.429 ( 1.296 1.946 1.066) 2.570 5.529 ( -1.844 -0.533 -1.147) 2.236 5.585 ( 2.345 0.418 -2.933) 3.778 5.632 ( 1.456 4.596 -3.497) 5.956 5.806 ( -2.727 0.333 -7.512) 7.999 6.510 ( -3.827 7.299 1.828) 8.442 6.569 ( 6.927 4.604 1.285) 8.417 6.713 ( 3.367 5.045 4.946) 7.826 6.957 ( 0.844 -1.576 8.901) 9.079 7.200 ( -1.350 1.557 -5.754) 6.112 7.362 ( -3.732 -0.672 -3.242) 4.989 7.768 ( 0.615 0.077 0.271) 0.676 7.860 ( -1.275 -2.356 -3.340) 4.282 8.817 ( 5.082 -6.025 3.642) 8.683 9.043 ( -3.808 -7.028 -0.820) 8.035 9.086 ( -2.780 -5.826 -0.168) 6.457 9.362 ( 3.455 -7.909 -6.372) 10.728 9.488 ( -2.397 -5.243 0.824) 5.823 9.633 ( 3.374 -9.869 -2.580) 10.745 9.869 ( 1.883 -10.961 6.637) 12.952 10.078 ( -0.289 -5.843 -3.864) 7.011 10.129 ( -4.995 -0.518 4.740) 6.906 10.194 ( 5.371 -3.798 -2.282) 6.963 10.623 ( -4.476 -10.648 -19.218) 22.422 10.646 ( -4.487 -11.414 -13.329) 18.113 11.648 ( -1.209 0.244 1.655) 2.064 11.792 ( -1.359 -3.019 -1.279) 3.549 11.860 ( 4.140 10.889 -2.677) 11.953 12.106 ( 1.101 7.712 -3.368) 8.487 12.312 ( -1.251 8.382 10.225) 13.280 12.548 ( 9.211 -0.125 4.935) 10.451 12.578 ( -1.591 7.408 7.039) 10.342 12.917 ( 1.642 -3.603 1.154) 4.125 13.187 ( -5.302 11.716 8.198) 15.251 13.296 ( 1.262 10.301 3.535) 10.964 16.319 ( -1.048 -3.787 -3.051) 4.975 16.322 ( 0.549 -3.731 -3.379) 5.063 17.454 ( 0.295 10.779 3.728) 11.409 17.605 ( 1.510 15.783 -1.627) 15.938 17.823 ( 4.780 4.528 13.627) 15.134 18.026 ( -4.687 10.535 9.928) 15.216 19.369 ( 6.749 -19.325 -10.723) 23.108 19.423 ( -8.967 -17.353 -8.988) 21.501 ======================= Grid point 256 (127/215) ======================= q-point: (-0.42 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -11.223 6.676 -4.128) 13.696 2.844 ( -12.703 11.482 2.317) 17.279 2.922 ( 4.286 2.799 0.496) 5.143 3.011 ( -3.068 -5.090 3.968) 7.146 3.151 ( 0.929 3.845 2.213) 4.532 3.371 ( 9.058 -1.894 5.269) 10.649 3.417 ( -6.327 5.633 1.364) 8.580 3.544 ( 3.456 2.437 1.368) 4.444 3.605 ( 4.245 -3.150 -0.980) 5.376 3.759 ( 5.133 -3.314 -10.591) 12.227 4.087 ( 1.496 11.398 6.093) 13.011 4.283 ( -0.817 9.388 -7.809) 12.239 4.384 ( -8.040 5.008 -0.293) 9.477 4.510 ( 0.437 5.723 -0.153) 5.741 5.052 ( 1.084 -2.076 5.414) 5.898 5.138 ( -3.329 -3.582 1.310) 5.063 5.297 ( -7.183 5.389 -0.429) 8.990 5.381 ( -7.921 -1.567 1.542) 8.221 5.501 ( 2.650 -2.265 -0.065) 3.486 5.604 ( 0.319 3.122 -3.430) 4.649 5.612 ( 3.750 -0.991 -0.719) 3.944 5.776 ( 3.866 1.905 -2.441) 4.953 6.468 ( -2.640 8.782 0.631) 9.192 6.651 ( 2.960 5.101 1.176) 6.014 6.854 ( 3.699 4.223 2.281) 6.060 7.043 ( -4.236 -2.227 3.822) 6.125 7.117 ( 3.883 2.480 -4.160) 6.207 7.339 ( 3.728 1.659 1.576) 4.374 7.745 ( -3.027 -0.276 -0.928) 3.178 7.814 ( -0.214 0.311 -1.306) 1.360 8.950 ( 0.607 -8.414 -0.471) 8.449 8.965 ( -0.421 -6.741 1.674) 6.958 9.095 ( 4.970 -8.199 1.155) 9.657 9.377 ( 6.954 -5.759 -5.774) 10.718 9.434 ( -5.169 -6.718 0.367) 8.484 9.665 ( 4.829 -8.123 -3.151) 9.961 9.990 ( -4.987 -8.223 2.385) 9.909 10.018 ( 6.064 -8.876 1.743) 10.890 10.079 ( -0.981 -4.258 -1.980) 4.797 10.245 ( -1.995 3.630 -1.779) 4.508 10.416 ( -0.611 -12.155 -7.146) 14.113 10.491 ( 1.559 -13.107 -7.825) 15.345 11.636 ( -2.757 1.811 0.932) 3.428 11.737 ( -3.009 -2.010 0.756) 3.697 11.899 ( 2.379 10.595 -3.311) 11.353 12.075 ( 3.799 3.551 -6.392) 8.240 12.339 ( -7.260 6.129 7.039) 11.824 12.605 ( 0.271 9.335 3.037) 9.821 12.753 ( 2.735 0.211 5.093) 5.785 12.931 ( 2.155 -1.330 0.234) 2.543 13.148 ( -9.329 15.038 5.672) 18.583 13.319 ( -2.700 7.635 2.663) 8.525 16.266 ( -1.357 -3.232 -2.516) 4.316 16.314 ( 1.715 -3.287 -1.803) 4.123 17.519 ( 3.449 12.393 2.061) 13.028 17.641 ( 4.249 14.287 0.949) 14.935 17.973 ( -4.006 2.183 12.511) 13.317 18.148 ( 6.895 5.200 7.146) 11.209 19.078 ( -15.693 -15.320 -11.790) 24.899 19.443 ( 10.438 -17.094 -6.100) 20.938 ======================= Grid point 257 (128/215) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -14.334 12.542 -3.973) 19.456 2.554 ( -21.853 14.432 1.037) 26.209 2.950 ( -4.041 -6.429 2.176) 7.899 3.045 ( 3.748 5.027 -0.449) 6.286 3.225 ( 1.932 0.195 2.209) 2.941 3.334 ( -3.341 1.190 -0.092) 3.547 3.522 ( 5.576 -4.085 -1.102) 6.999 3.566 ( -3.125 2.428 2.531) 4.698 3.640 ( 2.513 2.474 -3.948) 5.293 3.857 ( 11.041 -3.116 1.453) 11.564 4.000 ( -14.032 14.672 -4.947) 20.896 4.219 ( -2.505 1.950 -3.793) 4.946 4.251 ( -3.128 14.496 6.438) 16.166 4.606 ( 7.462 -0.241 3.674) 8.321 4.991 ( -4.455 -4.981 -2.127) 7.013 5.161 ( -4.924 4.824 -1.643) 7.087 5.215 ( 2.171 -0.224 4.350) 4.867 5.369 ( 0.046 2.351 3.788) 4.458 5.469 ( -2.471 -4.055 -1.766) 5.066 5.571 ( 1.153 2.394 -4.718) 5.415 5.720 ( 7.237 -2.775 0.667) 7.779 5.838 ( 5.368 0.398 0.691) 5.427 6.418 ( -3.389 7.015 -1.529) 7.940 6.713 ( 1.235 3.694 3.650) 5.338 6.813 ( -3.852 -1.222 -3.750) 5.513 7.005 ( -0.968 2.562 -1.427) 3.089 7.192 ( 4.121 4.978 1.870) 6.728 7.472 ( 6.469 0.243 2.911) 7.098 7.686 ( -2.452 1.880 -0.602) 3.148 7.807 ( -0.971 1.308 0.906) 1.865 8.865 ( -0.812 -5.532 -5.762) 8.029 9.020 ( -0.359 -9.711 4.881) 10.874 9.240 ( 4.927 -3.425 2.067) 6.346 9.360 ( -0.845 -7.614 -0.457) 7.675 9.444 ( 7.865 -3.812 -4.326) 9.752 9.718 ( 6.707 -7.205 -3.512) 10.451 9.893 ( -3.550 -4.202 -0.327) 5.511 10.026 ( -1.240 -4.873 -3.824) 6.318 10.107 ( -6.015 3.733 -5.084) 8.716 10.256 ( 8.644 -11.374 10.339) 17.634 10.359 ( 0.531 -10.869 -1.598) 10.998 10.547 ( 4.721 -8.868 2.960) 10.473 11.587 ( -1.992 2.811 -2.000) 3.983 11.712 ( -2.144 -0.922 1.730) 2.905 11.862 ( -2.700 9.047 -1.510) 9.561 12.082 ( 1.639 2.210 -3.335) 4.323 12.273 ( -5.446 2.004 1.890) 6.103 12.629 ( -1.290 8.557 2.143) 8.915 12.695 ( -4.525 4.130 -7.603) 9.764 12.986 ( -2.138 5.263 -2.432) 6.179 13.052 ( -7.466 13.530 6.233) 16.663 13.304 ( -1.475 -3.832 3.828) 5.614 16.224 ( -0.991 -1.747 -1.381) 2.437 16.335 ( 2.105 -2.582 0.049) 3.332 17.579 ( 3.366 11.419 -1.063) 11.953 17.749 ( 4.438 12.147 1.194) 12.988 18.047 ( 1.779 5.522 6.759) 8.908 18.335 ( 7.266 -2.038 5.144) 9.133 18.673 ( -19.373 -11.768 -9.209) 24.466 19.572 ( 10.346 -15.305 -0.258) 18.476 ======================= Grid point 258 (129/215) ======================= q-point: (-0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -15.797 17.012 1.183) 23.246 2.197 ( -21.579 19.886 -2.844) 29.482 2.911 ( -5.277 -1.381 3.153) 6.300 3.043 ( -2.722 3.799 0.263) 4.681 3.202 ( -13.589 6.458 2.048) 15.184 3.245 ( -8.724 7.002 2.728) 11.514 3.504 ( -1.979 -1.426 1.978) 3.140 3.535 ( 4.910 -3.903 -9.866) 11.691 3.646 ( -1.388 6.371 -2.244) 6.896 3.754 ( -1.537 1.020 -2.798) 3.351 3.996 ( -1.979 9.087 0.514) 9.314 4.249 ( 10.087 2.744 3.816) 11.128 4.337 ( 2.633 -2.070 6.151) 7.004 4.792 ( 9.948 -0.801 3.348) 10.527 4.910 ( -3.016 -6.063 -2.019) 7.067 5.076 ( -4.605 5.259 0.629) 7.018 5.287 ( 4.334 0.400 -3.462) 5.561 5.377 ( -3.027 3.457 4.611) 6.509 5.472 ( 2.419 1.094 -2.052) 3.355 5.556 ( 5.703 -2.601 -4.530) 7.734 5.815 ( 5.451 -4.394 -0.779) 7.044 5.951 ( 5.055 -2.015 2.198) 5.869 6.342 ( -2.700 3.850 -1.729) 5.010 6.734 ( -1.821 -0.611 -1.908) 2.707 6.763 ( -0.944 0.872 4.728) 4.900 6.965 ( -1.337 2.141 -2.305) 3.418 7.256 ( 1.310 6.248 1.378) 6.531 7.541 ( 0.675 -1.160 -0.851) 1.589 7.660 ( -1.144 3.309 -0.576) 3.548 7.792 ( -2.070 1.058 0.555) 2.390 8.828 ( 3.334 -2.842 -3.386) 5.537 9.092 ( 0.952 -4.571 7.080) 8.481 9.211 ( -4.085 1.754 0.411) 4.464 9.428 ( 4.467 -5.825 -2.160) 7.652 9.508 ( 5.050 -4.712 -2.523) 7.353 9.803 ( 6.527 -6.719 -0.611) 9.387 9.893 ( 3.806 -2.017 -1.210) 4.474 9.957 ( -2.416 -4.398 -5.205) 7.230 9.987 ( -3.514 -0.761 1.510) 3.899 10.279 ( -3.281 -0.075 0.169) 3.286 10.598 ( 0.438 1.030 9.447) 9.513 10.683 ( 14.103 -16.530 12.199) 24.919 11.557 ( 3.112 -1.394 -3.770) 5.083 11.696 ( -0.958 -0.273 -0.815) 1.287 11.801 ( -6.052 6.643 3.560) 9.666 11.997 ( -7.910 9.632 -1.179) 12.519 12.244 ( 0.133 -3.767 -1.751) 4.156 12.511 ( -4.310 5.536 -10.836) 12.909 12.606 ( -4.040 5.009 0.648) 6.467 12.853 ( -3.377 6.792 -7.301) 10.529 12.974 ( -9.201 10.381 1.804) 13.988 13.375 ( 3.548 -11.699 2.908) 12.567 16.207 ( -0.541 -0.095 0.614) 0.824 16.376 ( 2.053 -1.629 1.152) 2.863 17.599 ( -0.540 6.306 -0.105) 6.330 17.733 ( -1.167 7.527 -7.803) 10.904 18.105 ( 1.345 0.811 -15.608) 15.687 18.323 ( -7.528 5.545 -1.112) 9.416 18.547 ( 2.118 -8.914 18.412) 20.566 19.768 ( 10.943 -12.145 5.127) 17.133 ======================= Grid point 259 (130/215) ======================= q-point: (-0.17 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -15.561 19.809 6.435) 25.999 1.820 ( -20.918 24.852 -2.068) 32.550 2.832 ( -9.642 12.406 6.368) 16.954 2.945 ( -18.253 21.958 11.189) 30.668 3.023 ( -2.835 -4.637 3.694) 6.572 3.164 ( -8.234 -0.503 -1.830) 8.450 3.436 ( -2.998 -1.934 -1.861) 4.024 3.548 ( 4.200 2.056 -7.737) 9.040 3.607 ( 3.588 -5.092 -1.730) 6.465 3.794 ( 8.844 -1.407 -5.662) 10.595 3.989 ( 0.473 12.878 1.029) 12.927 4.317 ( -1.614 0.853 0.274) 1.846 4.546 ( 9.833 -8.081 4.291) 13.431 4.842 ( -2.311 -4.114 -0.115) 4.720 4.987 ( 8.049 -2.527 4.159) 9.406 5.030 ( -4.215 5.026 3.272) 7.330 5.251 ( -2.295 -0.630 -6.895) 7.294 5.383 ( -0.329 4.399 2.237) 4.946 5.510 ( 8.657 0.097 -4.336) 9.683 5.640 ( 8.324 -3.554 -2.769) 9.465 5.894 ( 4.844 -4.354 -0.163) 6.515 6.004 ( -0.283 -2.874 0.570) 2.943 6.320 ( 0.692 -0.222 0.255) 0.770 6.707 ( -0.837 1.117 0.703) 1.563 6.786 ( -2.036 -1.003 3.432) 4.115 6.910 ( -2.298 0.300 -2.448) 3.371 7.267 ( -0.588 7.198 -0.508) 7.240 7.505 ( -2.345 -0.905 -2.722) 3.705 7.597 ( -5.276 1.147 0.081) 5.400 7.767 ( -0.498 1.901 -0.825) 2.131 8.897 ( 6.129 0.165 0.446) 6.148 9.122 ( -3.449 4.996 3.649) 7.083 9.274 ( 6.388 2.005 6.890) 9.607 9.410 ( -0.697 -1.317 -3.941) 4.213 9.562 ( 4.591 -3.761 -1.264) 6.068 9.859 ( -1.076 -4.053 -3.527) 5.479 9.892 ( 0.238 -4.691 3.217) 5.693 9.955 ( 1.075 -1.407 1.697) 2.452 9.997 ( 3.778 -5.536 -0.597) 6.729 10.234 ( -3.002 -0.169 0.440) 3.039 10.582 ( -10.585 13.525 8.099) 18.988 11.147 ( 19.205 -15.157 14.414) 28.396 11.602 ( 6.850 -4.780 -3.581) 9.088 11.655 ( -2.781 1.714 -1.470) 3.583 11.758 ( -3.652 3.917 3.604) 6.455 11.882 ( -4.963 8.954 2.062) 10.443 12.185 ( -3.400 2.412 -4.279) 5.974 12.344 ( -3.423 1.715 -7.910) 8.788 12.518 ( -4.364 0.401 -2.348) 4.972 12.750 ( -1.560 2.974 -7.335) 8.068 12.851 ( -4.080 7.737 -0.894) 8.793 13.430 ( 2.787 -13.410 -3.125) 14.049 16.221 ( -0.117 1.203 2.723) 2.979 16.422 ( 1.616 -0.496 1.674) 2.379 17.525 ( -8.332 -1.793 -2.807) 8.973 17.598 ( -0.724 7.294 -9.511) 12.007 17.819 ( -8.092 -7.838 -14.137) 18.077 18.264 ( -0.496 8.379 -7.516) 11.267 18.849 ( 5.248 -0.801 22.624) 23.239 20.021 ( 11.652 -8.051 6.492) 15.580 ======================= Grid point 260 (131/215) ======================= q-point: (-0.08 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -8.975 27.240 3.943) 28.950 1.631 ( -15.113 16.655 17.989) 28.799 2.797 ( -2.440 8.241 0.516) 8.610 2.900 ( -9.035 17.227 13.196) 23.506 2.961 ( -5.862 11.864 6.282) 14.648 3.066 ( -3.122 -5.729 5.177) 8.329 3.375 ( -2.613 -0.323 -3.722) 4.559 3.496 ( 3.355 3.461 -13.099) 13.958 3.635 ( 2.674 -7.910 -4.250) 9.369 3.894 ( 9.443 -1.126 -4.191) 10.393 4.015 ( 0.686 9.884 1.592) 10.035 4.266 ( -2.209 -6.315 -2.118) 7.018 4.662 ( 2.253 0.321 1.580) 2.771 4.820 ( -0.859 -3.757 -2.931) 4.842 4.994 ( -5.219 4.878 3.847) 8.114 5.098 ( -4.130 -2.191 -6.044) 7.641 5.147 ( 3.296 -1.264 6.868) 7.723 5.471 ( 5.645 2.868 4.743) 7.911 5.594 ( 7.992 -1.209 -6.065) 10.105 5.748 ( 8.395 -2.225 -2.052) 8.924 5.921 ( -3.199 -0.841 0.612) 3.364 6.002 ( 2.241 -6.483 -1.474) 7.016 6.348 ( 1.399 -4.208 1.093) 4.567 6.698 ( -1.751 0.764 -0.825) 2.081 6.778 ( -1.754 -0.645 1.400) 2.335 6.842 ( -2.910 -1.414 -0.949) 3.372 7.240 ( 0.280 7.011 -1.339) 7.143 7.412 ( -4.426 -0.438 -2.453) 5.079 7.562 ( -2.500 2.935 4.306) 5.780 7.756 ( 0.159 2.021 -1.074) 2.294 8.951 ( -1.000 1.774 0.947) 2.246 9.190 ( 6.407 6.658 3.984) 10.062 9.380 ( 1.069 -1.326 0.407) 1.751 9.476 ( 7.562 5.279 6.874) 11.502 9.628 ( 5.560 -0.984 -1.861) 5.945 9.768 ( -6.845 -1.993 0.074) 7.130 9.910 ( -0.635 -5.335 -1.028) 5.470 9.984 ( -0.778 -2.246 3.729) 4.422 10.060 ( 3.582 -1.757 0.695) 4.049 10.165 ( -7.007 -2.882 0.294) 7.583 10.504 ( -8.784 17.285 8.402) 21.131 11.447 ( 6.729 -3.455 -0.826) 7.609 11.588 ( -4.686 2.964 0.973) 5.630 11.714 ( 8.041 -5.634 2.725) 10.190 11.789 ( 1.879 1.014 1.288) 2.494 11.883 ( -1.330 3.846 6.487) 7.658 12.079 ( -1.180 3.871 -6.360) 7.539 12.230 ( -1.733 -0.814 -3.257) 3.778 12.441 ( -1.272 -2.801 -7.370) 7.986 12.633 ( -4.230 6.166 1.399) 7.607 12.843 ( 5.296 1.491 -5.542) 7.809 13.378 ( -0.409 -13.754 -10.006) 17.013 16.261 ( 0.112 2.060 4.200) 4.680 16.460 ( 0.749 0.736 1.515) 1.843 17.357 ( -4.538 -3.767 -3.175) 6.698 17.489 ( -3.741 1.784 -4.873) 6.398 17.613 ( -1.432 -7.683 -8.391) 11.466 18.109 ( -4.404 2.002 -12.695) 13.585 19.174 ( 3.149 5.645 22.464) 23.375 20.232 ( 7.475 -4.821 1.747) 9.065 ======================= Grid point 261 (132/215) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -0.279 16.549 12.874) 20.968 2.062 ( 2.137 21.414 3.084) 21.741 2.719 ( -1.188 -0.572 -7.736) 7.848 2.885 ( -1.937 -3.180 -0.127) 3.726 2.979 ( -0.684 -7.753 -3.416) 8.499 3.158 ( -0.730 -1.147 -7.142) 7.270 3.252 ( 2.753 -4.317 -7.613) 9.175 3.321 ( 0.771 -5.082 -14.742) 15.612 3.835 ( -0.452 6.438 6.300) 9.019 3.906 ( 1.289 -3.356 2.668) 4.477 4.086 ( -0.306 3.428 9.502) 10.106 4.312 ( -0.497 6.966 2.841) 7.539 4.742 ( -1.375 8.515 4.951) 9.945 4.871 ( -3.892 8.780 2.082) 9.827 4.994 ( 0.216 -0.206 5.074) 5.082 5.117 ( 1.420 5.152 -0.181) 5.348 5.199 ( -2.249 -1.791 5.572) 6.270 5.550 ( -1.012 -2.432 1.754) 3.165 5.647 ( 2.617 1.122 -1.199) 3.089 5.818 ( -4.333 -1.102 -0.308) 4.481 5.833 ( 9.294 -1.392 -2.028) 9.614 5.926 ( 2.759 -2.785 -2.412) 4.603 6.276 ( -3.138 -1.176 -0.625) 3.409 6.526 ( -5.050 -4.761 -6.365) 9.417 6.772 ( 0.398 0.660 1.582) 1.760 6.871 ( 6.609 0.128 -1.153) 6.710 7.348 ( -1.775 3.301 1.833) 4.172 7.419 ( 0.501 4.844 0.334) 4.882 7.674 ( -2.022 5.114 4.633) 7.191 7.784 ( -1.175 1.658 1.357) 2.443 8.969 ( -0.377 1.080 -2.117) 2.406 9.265 ( -0.503 -8.490 -5.914) 10.359 9.409 ( 2.392 -0.110 3.517) 4.255 9.543 ( -2.981 -5.679 0.996) 6.491 9.646 ( 1.034 0.619 -4.845) 4.992 9.682 ( 2.241 -6.045 -3.384) 7.282 9.874 ( 1.387 4.564 2.989) 5.630 9.998 ( -3.915 0.771 0.564) 4.030 10.084 ( -0.668 3.071 12.555) 12.942 10.198 ( 4.249 2.756 7.860) 9.350 10.876 ( -6.033 18.097 8.133) 20.738 11.463 ( -13.805 -4.793 4.188) 15.201 11.540 ( 10.530 -1.660 -1.652) 10.787 11.686 ( 2.188 -6.809 3.092) 7.791 11.805 ( -2.367 5.406 -0.751) 5.949 12.056 ( 2.117 0.138 -3.191) 3.832 12.125 ( 1.936 4.538 3.661) 6.144 12.162 ( -0.276 3.007 -5.920) 6.646 12.318 ( 8.533 -3.000 -8.959) 12.731 12.717 ( 0.407 0.713 -4.358) 4.435 12.894 ( 2.120 2.262 -2.135) 3.764 12.954 ( -5.662 -8.149 -5.175) 11.191 16.383 ( 0.759 3.916 4.400) 5.939 16.500 ( -1.243 1.121 2.055) 2.650 17.205 ( 2.222 -6.937 2.753) 7.787 17.352 ( 0.770 -8.561 -3.730) 9.370 17.442 ( 1.313 1.208 -9.967) 10.126 17.782 ( -3.012 -5.514 -18.903) 19.920 19.650 ( -0.335 11.451 18.725) 21.951 20.201 ( -1.396 -4.691 1.680) 5.175 ======================= Grid point 262 (133/215) ======================= q-point: ( 0.08 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 6.195 15.921 8.370) 19.024 2.305 ( 13.355 9.030 15.569) 22.411 2.653 ( 4.136 1.013 -10.265) 11.113 2.791 ( 0.200 -4.445 -16.595) 17.181 2.902 ( -0.724 -9.538 2.933) 10.005 3.144 ( 3.612 1.874 -0.557) 4.107 3.200 ( 3.252 0.201 -10.233) 10.739 3.288 ( 8.237 -9.978 -6.598) 14.524 3.863 ( -2.360 2.572 2.747) 4.442 3.906 ( -3.769 -0.550 1.774) 4.202 4.194 ( -0.955 0.781 8.189) 8.282 4.297 ( -3.303 3.767 0.870) 5.085 4.753 ( -5.311 16.931 3.740) 18.134 4.867 ( -1.070 9.186 7.609) 11.976 5.067 ( 0.498 2.204 4.141) 4.717 5.142 ( 1.702 4.859 -1.099) 5.264 5.166 ( -5.117 -0.681 2.250) 5.631 5.509 ( -4.952 0.746 -2.245) 5.488 5.577 ( -7.118 0.619 -2.883) 7.704 5.774 ( -0.560 -3.595 -0.704) 3.705 5.887 ( -0.868 0.464 -2.310) 2.511 5.968 ( 4.872 -1.368 -0.189) 5.064 6.287 ( 2.436 -4.200 3.246) 5.840 6.449 ( 3.562 -4.910 -3.198) 6.857 6.796 ( 1.013 2.071 0.635) 2.392 6.961 ( 7.469 -1.549 -4.630) 8.923 7.320 ( -3.796 5.765 1.757) 7.122 7.445 ( 1.223 4.044 0.887) 4.317 7.683 ( -2.265 4.394 3.230) 5.906 7.778 ( -1.566 2.506 1.322) 3.237 8.971 ( 0.442 -1.981 1.813) 2.721 9.149 ( -3.174 -7.959 -6.252) 10.607 9.381 ( -7.074 2.281 -0.000) 7.432 9.546 ( -4.066 -3.963 0.870) 5.744 9.585 ( 0.945 -3.854 -3.128) 5.053 9.660 ( 1.936 -4.584 -3.633) 6.161 9.925 ( 0.048 -0.639 3.509) 3.567 9.979 ( 0.786 0.540 -0.991) 1.375 10.215 ( -1.860 4.239 11.978) 12.841 10.340 ( 2.415 4.079 6.122) 7.742 10.886 ( -4.174 13.694 9.879) 17.394 11.268 ( -16.235 -5.578 7.294) 18.652 11.634 ( 2.526 5.098 -6.529) 8.660 11.685 ( 1.014 -5.630 0.613) 5.753 11.822 ( 0.754 1.121 2.516) 2.856 12.020 ( -2.833 -1.262 -3.014) 4.325 12.058 ( 5.166 6.911 -7.446) 11.397 12.334 ( 7.924 0.422 7.484) 10.908 12.381 ( 10.485 -4.484 -6.805) 13.279 12.618 ( -1.112 -5.251 -11.879) 13.036 12.840 ( -2.824 3.346 -1.859) 4.757 12.919 ( 3.191 3.634 -1.960) 5.218 16.430 ( -1.157 3.119 3.998) 5.201 16.486 ( -2.248 1.326 1.318) 2.924 17.251 ( 1.481 -0.627 -5.618) 5.844 17.368 ( 0.557 -7.008 -6.373) 9.488 17.447 ( 11.138 -7.508 3.451) 13.868 17.633 ( 9.726 -5.569 -12.040) 16.449 19.780 ( -7.933 8.352 16.146) 19.834 20.107 ( -9.709 -2.052 -2.125) 10.149 ======================= Grid point 263 (134/215) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 7.917 11.241 9.271) 16.583 2.509 ( 3.920 3.755 -13.035) 14.120 2.726 ( 10.936 -0.696 -1.054) 11.009 2.816 ( 16.777 4.650 7.715) 19.042 2.958 ( 1.556 -10.522 5.243) 11.858 3.100 ( 1.262 3.562 -7.474) 8.375 3.276 ( 6.733 0.401 1.145) 6.841 3.350 ( 10.168 -8.297 -9.465) 16.180 3.815 ( -4.798 1.775 -1.592) 5.358 3.857 ( -3.854 0.866 2.403) 4.624 4.197 ( -3.282 -0.118 1.074) 3.455 4.283 ( -2.444 1.358 4.367) 5.185 4.669 ( -8.599 9.067 2.615) 12.767 4.931 ( -6.257 13.947 8.208) 17.350 5.054 ( -1.455 -3.106 -1.046) 3.586 5.140 ( 1.005 3.810 -4.292) 5.826 5.167 ( 2.057 6.498 1.365) 6.951 5.374 ( -7.663 -1.859 0.404) 7.895 5.444 ( -2.901 6.854 -4.645) 8.773 5.737 ( -3.923 -4.282 -0.184) 5.810 5.847 ( -1.443 0.975 -1.291) 2.168 6.007 ( 0.702 -1.422 0.729) 1.745 6.381 ( 4.110 -1.291 1.948) 4.728 6.543 ( 7.917 -4.349 0.371) 9.040 6.820 ( 1.363 2.226 0.182) 2.616 6.970 ( 1.840 -3.622 -7.842) 8.832 7.298 ( -1.348 8.332 3.065) 8.979 7.465 ( -0.231 3.430 1.327) 3.685 7.686 ( -0.676 1.517 2.116) 2.690 7.755 ( -2.692 2.168 0.266) 3.466 8.958 ( -4.296 -2.702 -0.044) 5.075 9.108 ( 1.078 -5.422 1.486) 5.724 9.257 ( -6.374 2.792 -0.285) 6.965 9.414 ( -8.439 1.694 -2.958) 9.102 9.587 ( 0.595 -4.638 -0.620) 4.717 9.662 ( 0.878 -8.948 -2.168) 9.249 9.941 ( -2.507 -1.765 0.580) 3.120 10.000 ( 2.760 -4.042 1.450) 5.104 10.224 ( -8.105 1.112 2.630) 8.593 10.365 ( -3.673 0.363 -0.532) 3.729 11.000 ( 0.541 9.116 15.220) 17.749 11.193 ( -8.416 -2.243 16.814) 18.936 11.542 ( -3.041 0.865 -6.523) 7.248 11.666 ( 1.301 -3.668 -10.475) 11.175 11.853 ( 0.763 0.334 3.907) 3.994 11.996 ( 1.574 -0.116 -1.110) 1.929 12.071 ( 5.897 7.013 -8.537) 12.523 12.389 ( 5.278 -1.779 -8.854) 10.460 12.476 ( 2.277 -2.952 -9.210) 9.936 12.611 ( 8.660 -3.623 8.119) 12.411 12.811 ( 1.040 8.204 0.053) 8.270 12.956 ( 3.637 5.151 -0.670) 6.341 16.426 ( -2.240 0.337 0.628) 2.351 16.468 ( -2.829 0.994 1.985) 3.596 17.226 ( 3.125 2.164 -3.376) 5.084 17.285 ( 1.702 2.038 -5.832) 6.408 17.733 ( 14.923 -8.278 2.579) 17.259 17.768 ( 15.868 -7.501 -2.164) 17.685 19.762 ( -14.101 3.100 12.335) 18.990 19.863 ( -14.966 -1.329 -5.422) 15.973 ======================= Grid point 264 (135/215) ======================= q-point: ( 0.25 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 10.258 8.552 -7.178) 15.162 2.635 ( 7.655 7.148 7.148) 12.680 2.823 ( 8.276 2.608 -6.083) 10.597 3.010 ( 0.092 3.068 -1.424) 3.383 3.055 ( 3.265 -9.514 3.204) 10.557 3.245 ( 10.113 6.032 10.719) 15.924 3.332 ( 2.963 -4.469 -5.464) 7.656 3.409 ( 7.304 0.455 -4.468) 8.574 3.714 ( -2.092 2.825 -1.792) 3.946 3.880 ( 3.211 -1.874 3.540) 5.134 4.149 ( -4.230 2.144 0.787) 4.807 4.323 ( 1.032 -0.842 6.070) 6.214 4.554 ( -8.447 6.143 1.204) 10.514 4.804 ( -12.396 3.421 -0.316) 12.863 5.050 ( 1.212 0.982 -3.166) 3.530 5.090 ( -0.522 0.807 -2.023) 2.240 5.228 ( 3.835 5.916 0.702) 7.085 5.320 ( -0.067 4.112 -0.025) 4.112 5.405 ( 2.283 4.673 -1.677) 5.465 5.657 ( -5.760 -0.227 0.731) 5.810 5.817 ( -0.685 2.150 -0.870) 2.419 6.022 ( -0.122 -1.636 1.181) 2.021 6.438 ( 2.143 1.026 -0.859) 2.526 6.647 ( 3.447 -4.681 1.007) 5.900 6.829 ( -1.753 1.678 -0.760) 2.543 6.868 ( -2.471 -1.600 -5.402) 6.152 7.340 ( 1.052 7.708 3.033) 8.350 7.481 ( 0.165 2.432 2.091) 3.211 7.704 ( -3.250 1.288 0.127) 3.498 7.716 ( 2.033 -1.694 1.296) 2.946 8.858 ( -6.937 -1.136 -1.237) 7.138 9.128 ( -1.278 -5.018 0.226) 5.183 9.210 ( -1.619 2.507 0.363) 3.006 9.264 ( -6.189 -0.539 0.909) 6.278 9.575 ( -2.488 -5.881 -0.545) 6.409 9.622 ( -1.864 -8.944 -2.556) 9.487 9.867 ( -4.929 -1.030 -3.101) 5.914 10.062 ( -6.539 -0.582 -0.014) 6.564 10.075 ( -3.209 -6.713 3.960) 8.429 10.249 ( -5.921 -5.797 -3.270) 8.908 11.119 ( -1.691 0.438 0.667) 1.870 11.372 ( 1.799 6.633 10.899) 12.885 11.427 ( -4.263 -7.221 4.693) 9.610 11.545 ( 5.217 1.931 -11.524) 12.797 11.927 ( 2.459 0.724 0.215) 2.572 12.000 ( 0.202 -2.637 -3.217) 4.164 12.059 ( 3.409 7.104 -1.085) 7.954 12.377 ( 5.966 2.337 -5.325) 8.331 12.468 ( 5.350 1.852 -5.489) 7.885 12.737 ( 2.753 -1.443 -2.056) 3.727 12.935 ( 6.107 4.659 10.034) 12.636 13.038 ( 5.313 6.056 3.383) 8.738 16.388 ( -1.637 -1.381 -1.648) 2.702 16.428 ( -3.806 -1.077 0.353) 3.971 17.302 ( 6.726 7.008 2.666) 10.072 17.312 ( 5.821 6.477 -0.255) 8.712 17.905 ( 12.627 -3.680 -7.678) 15.229 18.057 ( 11.794 -3.925 8.631) 15.133 19.522 ( -16.362 -4.251 -9.305) 19.296 19.632 ( -16.715 -4.294 8.300) 19.150 ======================= Grid point 265 (136/215) ======================= q-point: ( 0.33 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 13.389 9.092 -1.256) 16.233 2.788 ( 5.262 4.846 -4.854) 8.645 2.840 ( 3.591 7.135 -0.006) 7.988 3.027 ( 0.518 -1.433 1.241) 1.965 3.109 ( -0.253 -3.260 2.661) 4.216 3.238 ( -0.278 -3.378 -9.549) 10.133 3.392 ( -1.133 5.495 7.326) 9.228 3.511 ( 6.737 4.333 1.230) 8.104 3.734 ( 3.758 -0.005 -2.496) 4.511 4.026 ( 5.032 -3.055 5.022) 7.737 4.097 ( -4.653 7.264 3.808) 9.430 4.352 ( -7.975 1.950 1.613) 8.367 4.503 ( 4.559 1.031 2.174) 5.155 4.628 ( -6.846 -0.024 -0.539) 6.867 4.975 ( -3.611 1.104 -3.864) 5.403 5.112 ( 2.877 -1.853 0.019) 3.423 5.297 ( 2.829 6.903 1.533) 7.616 5.367 ( 6.901 4.029 -1.551) 8.140 5.454 ( 5.334 1.423 -1.200) 5.649 5.586 ( -4.874 3.397 1.934) 6.247 5.801 ( 0.455 3.929 -2.226) 4.539 6.024 ( -0.327 -2.399 -1.020) 2.627 6.428 ( -0.910 2.930 -1.928) 3.623 6.686 ( -0.907 -4.643 3.664) 5.984 6.731 ( -4.423 0.145 -0.739) 4.487 6.838 ( -0.881 1.464 0.161) 1.716 7.365 ( -0.852 6.032 0.959) 6.167 7.488 ( -2.178 1.099 0.086) 2.441 7.692 ( 0.581 1.035 2.411) 2.688 7.773 ( 2.861 -3.227 1.113) 4.454 8.737 ( -4.351 -1.667 -2.917) 5.497 9.093 ( -5.054 -3.422 0.047) 6.104 9.105 ( -2.692 -5.149 -3.787) 6.936 9.279 ( -1.438 -1.811 3.536) 4.225 9.458 ( -8.032 -10.196 -2.669) 13.251 9.581 ( -2.382 -8.842 0.221) 9.160 9.714 ( -7.228 -0.823 -6.020) 9.443 9.963 ( -4.291 -4.099 1.362) 6.088 10.052 ( -2.574 -4.620 -0.499) 5.312 10.208 ( -0.331 -2.115 3.743) 4.312 10.966 ( -3.117 -3.812 -16.909) 17.612 11.135 ( -5.131 -6.936 -22.407) 24.010 11.636 ( 6.470 4.104 3.831) 8.567 11.714 ( 2.972 1.065 16.189) 16.494 11.877 ( 0.981 3.224 -0.295) 3.383 12.003 ( 1.291 0.215 -2.167) 2.531 12.170 ( 5.452 7.445 7.176) 11.690 12.456 ( 6.381 6.851 -5.637) 10.928 12.521 ( 5.408 -0.238 4.793) 7.230 12.731 ( 1.187 -1.127 -3.107) 3.512 13.133 ( 3.529 4.970 11.312) 12.850 13.203 ( 7.139 6.666 7.287) 12.186 16.340 ( -0.960 -2.485 -3.290) 4.233 16.365 ( -3.426 -2.478 -1.017) 4.349 17.425 ( 6.838 8.590 2.816) 11.335 17.504 ( 9.944 10.455 7.366) 16.200 17.955 ( 4.734 2.852 -8.177) 9.870 18.298 ( 4.687 4.900 9.705) 11.839 19.160 ( -12.108 -12.193 -12.887) 21.480 19.446 ( -14.692 -12.917 3.769) 19.923 ======================= Grid point 266 (137/215) ======================= q-point: ( 0.42 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 1.768 2.378 -8.350) 8.861 2.812 ( 1.346 6.618 0.341) 6.762 2.944 ( 4.325 2.799 1.577) 5.388 3.038 ( 7.677 0.453 -2.393) 8.054 3.121 ( -1.184 -0.959 -6.864) 7.031 3.197 ( 2.422 1.893 7.988) 8.559 3.491 ( 1.866 7.209 6.884) 10.141 3.598 ( 1.367 4.405 2.772) 5.381 3.728 ( -0.794 -4.053 -4.339) 5.991 3.913 ( -10.053 -0.894 -6.254) 11.874 4.152 ( -2.122 8.644 7.689) 11.762 4.294 ( -0.209 2.053 -1.392) 2.489 4.586 ( 2.900 2.841 3.413) 5.304 4.640 ( 1.716 -0.209 5.497) 5.763 4.896 ( -1.227 3.875 -1.895) 4.485 5.154 ( 2.014 -2.917 -0.429) 3.570 5.346 ( -0.034 5.879 3.356) 6.770 5.477 ( 7.444 1.459 -2.183) 7.894 5.507 ( 1.277 2.700 -0.167) 2.991 5.558 ( 0.378 1.110 0.375) 1.231 5.771 ( 0.204 4.148 -4.275) 5.960 5.950 ( -3.931 -2.444 -7.350) 8.686 6.445 ( 3.553 4.218 4.977) 7.429 6.697 ( -2.450 0.741 3.622) 4.435 6.727 ( 0.114 -0.191 5.186) 5.191 6.843 ( 0.082 0.912 2.826) 2.971 7.334 ( -2.373 3.519 -2.403) 4.878 7.427 ( -4.124 0.826 -0.803) 4.282 7.740 ( 1.233 0.347 2.075) 2.438 7.812 ( 0.849 -3.533 0.043) 3.634 8.678 ( 0.731 -2.572 -2.091) 3.394 8.963 ( -5.454 -6.755 -3.236) 9.266 9.075 ( -1.950 -3.972 -0.823) 4.500 9.224 ( -5.459 -8.894 -1.641) 10.564 9.360 ( 1.782 -8.357 -3.734) 9.325 9.529 ( -8.829 -8.890 -1.555) 12.625 9.559 ( -1.242 -7.419 -0.208) 7.525 9.873 ( -4.755 -11.364 -2.332) 12.537 10.114 ( 5.551 3.863 3.437) 7.586 10.235 ( -2.134 2.675 3.237) 4.710 10.705 ( -3.000 -6.020 -19.687) 20.804 10.785 ( -4.351 -7.282 -25.161) 26.552 11.688 ( -0.870 1.503 -2.509) 3.051 11.764 ( -0.027 -0.745 0.985) 1.235 12.008 ( 4.696 6.691 -1.408) 8.295 12.118 ( 5.111 2.566 17.916) 18.807 12.355 ( 3.782 8.256 10.277) 13.715 12.441 ( 3.906 4.189 -9.331) 10.949 12.660 ( -0.063 3.138 5.974) 6.748 12.756 ( 4.219 -3.657 3.171) 6.421 13.311 ( 2.092 8.901 12.568) 15.542 13.394 ( 5.130 8.316 8.649) 13.049 16.288 ( -0.202 -2.967 -4.017) 4.998 16.301 ( -2.511 -3.101 -1.851) 4.399 17.566 ( 5.679 9.460 3.389) 11.543 17.745 ( 7.356 10.326 7.815) 14.893 17.906 ( 2.227 7.961 -6.074) 10.258 18.370 ( -9.077 15.178 7.310) 19.136 18.927 ( 2.680 -23.278 -11.635) 26.161 19.254 ( -11.779 -18.049 -0.704) 21.564 ======================= Grid point 267 (138/215) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -3.172 1.084 -3.731) 5.016 2.806 ( 2.541 -0.515 -1.031) 2.791 2.979 ( 1.394 0.301 -3.362) 3.652 3.044 ( 0.477 0.143 -3.360) 3.396 3.210 ( 8.891 2.093 0.499) 9.148 3.333 ( 1.129 6.234 9.576) 11.482 3.517 ( -7.513 -2.272 -8.630) 11.666 3.590 ( -0.848 5.987 5.446) 8.138 3.625 ( -1.454 4.764 0.730) 5.034 3.783 ( -0.887 -0.819 -3.959) 4.139 4.197 ( -1.865 5.202 5.534) 7.821 4.275 ( 1.229 0.558 -0.878) 1.610 4.686 ( -0.551 4.820 3.251) 5.840 4.689 ( 0.427 9.912 4.101) 10.735 4.921 ( 3.683 2.655 3.193) 5.551 5.149 ( -2.069 -2.007 -1.099) 3.085 5.374 ( -1.432 2.864 3.717) 4.906 5.468 ( -2.206 0.370 -0.091) 2.238 5.534 ( -0.954 2.391 -2.118) 3.334 5.584 ( 3.101 0.459 -3.562) 4.745 5.715 ( -3.029 2.148 -3.372) 5.016 5.794 ( -1.374 -1.745 -5.930) 6.332 6.600 ( 3.586 3.594 5.626) 7.578 6.739 ( 2.070 7.927 4.619) 9.405 6.811 ( 5.464 4.529 3.856) 8.077 6.915 ( 0.417 -2.978 8.992) 9.481 7.230 ( -3.376 1.610 -7.071) 7.999 7.356 ( -2.950 0.347 -1.261) 3.227 7.765 ( -0.752 -0.384 1.397) 1.633 7.804 ( -0.217 -2.715 -1.142) 2.953 8.710 ( 3.232 -3.882 1.374) 5.235 8.878 ( -1.283 -7.966 -1.272) 8.168 8.989 ( -3.908 -3.639 -4.523) 6.999 9.171 ( 4.138 -9.611 -5.706) 11.919 9.373 ( -2.991 -5.686 -2.962) 7.075 9.415 ( 3.781 -9.904 -1.295) 10.680 9.569 ( -0.114 -13.725 3.030) 14.056 9.805 ( -1.050 -15.191 -0.091) 15.227 10.177 ( -3.318 3.090 -4.534) 6.412 10.238 ( 4.696 4.645 -0.814) 6.655 10.455 ( -3.370 -6.907 -14.616) 16.513 10.485 ( -3.038 -4.350 -15.738) 16.608 11.657 ( -1.368 1.080 0.776) 1.908 11.739 ( -1.829 -1.641 -0.674) 2.548 12.082 ( 5.719 9.608 -2.493) 11.456 12.278 ( -1.419 8.027 -1.183) 8.237 12.455 ( -2.614 3.174 7.641) 8.677 12.481 ( 6.386 -3.535 5.813) 9.331 12.718 ( 0.242 5.315 6.573) 8.457 12.860 ( 1.534 -1.348 4.223) 4.691 13.458 ( -1.862 12.980 11.834) 17.663 13.537 ( 0.479 11.035 7.838) 13.544 16.245 ( -1.315 -3.021 -2.382) 4.066 16.251 ( 0.759 -3.042 -3.295) 4.549 17.651 ( 1.053 8.670 2.548) 9.097 17.814 ( -0.265 6.266 2.082) 6.608 18.005 ( 6.687 9.952 0.945) 12.027 18.253 ( -5.948 9.447 1.604) 11.278 18.951 ( 6.569 -19.201 -4.681) 20.826 19.053 ( -8.555 -16.960 -3.835) 19.379 ======================= Grid point 268 (139/215) ======================= q-point: (-0.42 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -4.748 3.921 -3.251) 6.963 2.876 ( 0.963 -6.717 3.518) 7.643 2.940 ( 3.423 0.077 -6.199) 7.082 3.020 ( -3.247 3.471 -0.332) 4.764 3.171 ( -8.412 -0.305 -1.966) 8.644 3.398 ( 6.255 3.711 -1.595) 7.446 3.509 ( 3.127 -0.469 6.033) 6.811 3.574 ( -4.851 5.588 0.287) 7.405 3.664 ( 2.717 4.470 1.432) 5.423 3.726 ( -0.233 1.026 -3.603) 3.753 4.211 ( -2.320 -0.716 3.519) 4.275 4.339 ( 6.067 2.350 0.884) 6.566 4.653 ( -7.610 9.968 5.444) 13.672 4.704 ( -3.467 14.191 -0.755) 14.628 5.027 ( -0.313 0.512 0.570) 0.828 5.089 ( -0.088 -0.610 3.221) 3.279 5.359 ( -5.231 0.446 1.012) 5.347 5.420 ( -5.361 6.539 -3.217) 9.048 5.453 ( 0.143 -1.935 -2.153) 2.898 5.572 ( 2.184 -2.779 -1.789) 3.961 5.639 ( -1.189 -0.235 -0.709) 1.404 5.800 ( 2.846 -0.040 -1.051) 3.034 6.659 ( -1.393 7.156 3.631) 8.144 6.772 ( -0.097 8.157 -1.031) 8.223 6.914 ( -5.759 -0.824 0.718) 5.861 7.034 ( 4.758 3.244 5.506) 7.967 7.169 ( 5.561 2.368 -1.340) 6.191 7.334 ( 2.595 -2.558 0.322) 3.658 7.745 ( -2.033 0.207 0.396) 2.082 7.808 ( 0.787 -0.993 0.322) 1.308 8.766 ( -0.018 -6.998 2.184) 7.331 8.866 ( -0.524 -4.077 -2.934) 5.050 8.955 ( 7.820 -4.985 -0.447) 9.284 9.213 ( 10.471 -10.596 -7.775) 16.804 9.288 ( -3.192 -5.280 -1.125) 6.272 9.485 ( 5.772 -8.163 -3.355) 10.545 9.639 ( 3.397 -14.266 5.505) 15.664 9.845 ( 5.021 -16.525 -0.204) 17.272 10.014 ( -3.701 0.475 -10.102) 10.769 10.233 ( 5.593 -6.431 -12.232) 14.908 10.325 ( -4.100 3.003 -1.690) 5.356 10.357 ( -2.440 -0.562 1.178) 2.767 11.655 ( -1.750 0.922 2.663) 3.317 11.717 ( -1.626 -0.174 1.680) 2.344 12.100 ( 1.257 8.260 -5.205) 9.844 12.179 ( -0.698 5.668 -9.045) 10.697 12.438 ( -8.028 3.129 7.132) 11.185 12.676 ( 5.563 -4.603 5.882) 9.313 12.796 ( -0.503 5.550 7.109) 9.033 12.892 ( -1.055 -0.275 1.782) 2.089 13.487 ( -8.335 15.821 7.381) 19.345 13.558 ( -6.857 12.557 4.307) 14.942 16.207 ( -0.143 -2.214 -2.151) 3.091 16.246 ( 2.043 -3.023 -1.621) 3.992 17.712 ( 2.077 6.061 4.387) 7.765 17.831 ( -0.073 3.830 1.824) 4.243 18.027 ( -4.028 3.307 5.365) 7.479 18.303 ( 11.024 6.769 -6.669) 14.554 18.773 ( -14.513 -11.522 -3.105) 18.788 19.107 ( 10.609 -13.935 -1.777) 17.604 ======================= Grid point 269 (140/215) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -6.900 10.008 -3.521) 12.655 2.831 ( -8.087 0.412 1.764) 8.288 2.869 ( -8.793 10.329 -0.371) 13.570 3.024 ( 5.305 -5.491 1.450) 7.771 3.143 ( 5.663 -7.024 -4.184) 9.946 3.434 ( -4.847 4.233 -0.232) 6.440 3.487 ( -1.675 3.860 -1.529) 4.477 3.589 ( -1.226 -1.190 1.972) 2.609 3.674 ( 1.990 0.006 0.620) 2.084 3.783 ( 6.761 -2.206 1.814) 7.340 4.185 ( -6.456 1.322 2.369) 7.003 4.424 ( -1.844 13.565 -2.363) 13.892 4.580 ( -4.399 -0.579 3.066) 5.393 4.583 ( -6.513 14.144 2.630) 15.792 4.954 ( -3.423 3.685 -1.682) 5.303 5.195 ( 3.882 -0.363 3.055) 4.953 5.250 ( -3.268 3.140 -3.199) 5.548 5.363 ( -1.021 -3.895 -1.960) 4.479 5.450 ( 2.220 3.774 1.951) 4.794 5.598 ( -0.381 -0.788 -1.097) 1.403 5.661 ( 3.908 -2.567 0.900) 4.762 5.833 ( 2.542 -0.929 0.620) 2.777 6.601 ( -6.918 9.525 -3.324) 12.232 6.747 ( -2.392 -0.639 1.829) 3.078 6.805 ( -3.190 1.227 -2.067) 3.994 7.072 ( -0.531 3.813 -2.487) 4.583 7.284 ( 4.356 3.257 3.302) 6.363 7.443 ( 6.071 -2.910 2.284) 7.109 7.731 ( -0.946 2.022 1.203) 2.536 7.820 ( -0.244 -0.074 0.718) 0.762 8.755 ( 2.580 -4.142 -4.956) 6.955 8.898 ( 3.310 -2.565 4.833) 6.395 9.122 ( 9.609 -7.089 1.743) 12.068 9.236 ( -0.544 -3.507 -2.346) 4.255 9.330 ( 12.930 -9.453 -6.100) 17.139 9.544 ( 5.461 -5.650 -1.297) 7.965 9.742 ( 1.952 -12.813 2.578) 13.215 9.853 ( 1.453 -6.519 -8.116) 10.511 10.002 ( 10.122 -6.382 4.281) 12.709 10.185 ( -2.243 0.490 -5.494) 5.954 10.314 ( -1.173 -2.728 3.793) 4.817 10.370 ( 5.625 -3.351 2.774) 7.110 11.645 ( -3.551 2.726 2.277) 5.023 11.718 ( -0.937 0.710 1.735) 2.096 12.012 ( -3.850 5.135 -4.443) 7.806 12.096 ( 1.168 0.976 -6.795) 6.963 12.371 ( -8.047 5.959 3.536) 10.619 12.730 ( -1.460 0.816 -1.026) 1.962 12.797 ( -4.955 4.642 -0.567) 6.813 12.943 ( 3.143 -5.344 3.851) 7.298 13.372 ( -12.235 15.347 3.052) 19.863 13.421 ( -13.072 11.178 0.783) 17.217 16.195 ( 0.929 -0.922 -1.118) 1.722 16.278 ( 2.902 -2.790 0.127) 4.028 17.728 ( -2.202 2.973 -1.446) 3.973 17.901 ( 0.482 2.671 4.082) 4.902 18.071 ( -1.747 -3.771 10.636) 11.419 18.318 ( 5.133 -4.457 -16.143) 17.516 18.571 ( -6.306 7.664 3.041) 10.381 19.284 ( 12.435 -11.949 1.216) 17.288 ======================= Grid point 270 (141/215) ======================= q-point: (-0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -10.171 15.529 -0.069) 18.563 2.626 ( -13.296 19.925 -1.886) 24.028 2.851 ( -0.375 -0.724 3.509) 3.602 3.101 ( 2.051 -3.698 0.484) 4.256 3.164 ( 1.631 -9.109 -3.601) 9.930 3.288 ( -8.942 5.710 -2.264) 10.849 3.454 ( 0.068 -0.938 -3.526) 3.650 3.540 ( -4.434 0.011 -0.209) 4.439 3.720 ( 1.863 -1.500 -0.495) 2.442 3.952 ( 4.370 -5.430 5.990) 9.190 4.010 ( -14.281 10.336 3.263) 17.928 4.314 ( -0.844 10.155 -2.054) 10.395 4.510 ( -3.841 9.364 0.434) 10.131 4.692 ( 5.267 -7.645 3.989) 10.104 4.897 ( -1.946 5.581 1.090) 6.011 5.171 ( -3.991 3.858 0.092) 5.552 5.286 ( 5.391 -0.265 -2.314) 5.873 5.360 ( 4.193 -2.581 -2.070) 5.342 5.526 ( 2.199 -1.208 -2.711) 3.694 5.550 ( -0.629 4.954 0.712) 5.045 5.727 ( 3.239 -3.926 1.343) 5.264 5.911 ( 3.688 -2.005 2.644) 4.961 6.446 ( -5.976 5.709 -3.034) 8.804 6.732 ( -2.801 -2.188 2.546) 4.372 6.757 ( -1.396 1.780 -0.678) 2.362 7.010 ( -1.477 1.919 -5.120) 5.663 7.355 ( 0.424 2.659 2.814) 3.895 7.517 ( 1.940 -0.921 -0.631) 2.238 7.711 ( -4.186 2.090 1.161) 4.820 7.816 ( -0.463 0.976 0.002) 1.081 8.787 ( 7.586 -0.880 -3.301) 8.320 9.053 ( 6.826 0.160 7.724) 10.309 9.200 ( 0.930 -5.045 -2.652) 5.775 9.281 ( 8.355 -4.380 -0.044) 9.434 9.466 ( 7.454 -2.424 -0.504) 7.854 9.620 ( 5.240 -6.301 -0.422) 8.206 9.763 ( 0.855 -10.540 -2.037) 10.769 9.853 ( 6.050 -1.761 -1.886) 6.577 10.069 ( -5.802 4.667 -2.483) 7.849 10.280 ( -2.982 -2.433 3.058) 4.916 10.354 ( 19.063 -8.351 10.727) 23.413 10.588 ( 10.549 -5.950 6.896) 13.937 11.584 ( -5.067 4.598 -0.175) 6.844 11.719 ( 0.528 1.695 -0.803) 1.948 11.905 ( -6.186 2.965 -0.521) 6.880 12.076 ( 2.815 -4.604 -1.839) 5.701 12.257 ( -8.312 8.634 -0.564) 11.998 12.620 ( -4.333 3.137 -9.640) 11.025 12.681 ( -7.858 3.135 -1.475) 8.588 12.972 ( -0.236 -0.848 -5.213) 5.287 13.201 ( -13.886 9.794 0.800) 17.011 13.234 ( -8.320 3.033 3.761) 9.621 16.212 ( 1.605 0.634 0.539) 1.808 16.335 ( 3.129 -2.278 1.329) 4.092 17.634 ( -8.607 -1.283 -0.182) 8.704 17.867 ( -1.966 3.476 -6.555) 7.676 17.946 ( -11.930 -8.472 -9.256) 17.314 18.339 ( 1.468 -8.428 2.064) 8.800 18.660 ( 10.387 18.358 8.103) 22.596 19.538 ( 14.842 -10.335 5.259) 18.834 ======================= Grid point 271 (142/215) ======================= q-point: (-0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -12.102 18.021 4.734) 22.218 2.367 ( -13.506 26.006 -6.420) 29.999 2.898 ( 0.283 -0.295 3.567) 3.590 3.056 ( -5.160 -0.254 -3.189) 6.071 3.100 ( -7.971 -3.076 -1.474) 8.670 3.159 ( -2.233 -1.123 -0.581) 2.566 3.422 ( -1.265 -0.133 -0.526) 1.376 3.508 ( 2.206 -1.301 -1.997) 3.248 3.720 ( 0.181 -1.406 -1.347) 1.955 3.819 ( -5.879 14.236 1.484) 15.473 4.108 ( 2.219 -10.958 2.302) 11.415 4.258 ( -3.477 6.354 -2.907) 7.804 4.568 ( 5.757 5.034 7.841) 10.954 4.745 ( -1.658 -4.994 2.528) 5.838 4.961 ( 4.354 1.846 5.198) 7.028 5.129 ( -2.750 4.237 1.610) 5.301 5.240 ( -4.110 0.196 -6.911) 8.043 5.450 ( 3.455 1.391 3.268) 4.955 5.504 ( 8.455 -0.011 -7.100) 11.040 5.605 ( 3.471 0.625 0.167) 3.531 5.805 ( 4.435 -4.075 1.083) 6.119 5.960 ( -0.885 -1.991 1.117) 2.449 6.366 ( -2.032 4.405 -0.404) 4.867 6.723 ( -1.306 -2.968 1.622) 3.625 6.741 ( -0.830 0.561 0.901) 1.347 6.913 ( -3.289 -0.258 -5.433) 6.356 7.369 ( -1.467 2.417 1.525) 3.212 7.491 ( -2.545 0.137 -2.485) 3.560 7.653 ( -3.910 4.493 2.512) 6.464 7.806 ( -1.042 1.240 0.146) 1.626 8.904 ( 8.997 0.461 -1.134) 9.080 9.197 ( 0.437 -0.157 2.314) 2.360 9.261 ( 8.075 -2.907 3.809) 9.389 9.405 ( 7.314 0.140 0.420) 7.328 9.537 ( 3.202 2.884 -0.616) 4.353 9.684 ( 3.016 -10.086 -2.286) 10.772 9.780 ( 1.794 -3.930 2.756) 5.124 9.943 ( 4.959 -1.045 0.684) 5.113 9.981 ( -2.696 3.151 0.850) 4.233 10.218 ( -5.527 -1.860 -0.202) 5.835 10.793 ( 3.425 4.480 8.355) 10.080 10.861 ( 23.152 -11.189 14.017) 29.286 11.517 ( -0.683 -0.011 -1.809) 1.934 11.722 ( 0.527 3.975 -1.564) 4.304 11.809 ( -5.415 0.454 2.003) 5.791 12.109 ( -8.586 10.738 -0.100) 13.748 12.129 ( 4.115 -6.156 -0.957) 7.466 12.421 ( -3.344 2.979 -13.104) 13.848 12.512 ( -7.566 1.679 -6.004) 9.804 12.864 ( -3.457 5.075 -5.651) 8.345 13.013 ( -10.064 6.768 0.421) 12.135 13.181 ( -3.872 -8.901 0.860) 9.744 16.256 ( 1.869 2.116 2.257) 3.615 16.403 ( 2.820 -1.387 2.219) 3.846 17.454 ( -13.647 -3.977 0.330) 14.218 17.636 ( -11.218 -9.049 -8.232) 16.598 17.745 ( -1.233 7.044 -12.560) 14.453 18.269 ( -2.498 -6.791 -10.794) 12.995 19.012 ( 11.656 14.797 18.474) 26.383 19.849 ( 14.179 -8.935 7.381) 18.313 ======================= Grid point 272 (143/215) ======================= q-point: (-0.08 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -10.461 18.451 10.179) 23.526 2.111 ( -7.464 27.130 -5.476) 28.666 2.860 ( -6.083 -1.849 -4.960) 8.064 2.940 ( -3.795 -1.922 -0.960) 4.361 2.995 ( -2.454 1.208 0.280) 2.749 3.160 ( 1.068 -5.227 1.065) 5.440 3.368 ( -2.993 -0.663 -4.745) 5.649 3.482 ( 2.904 -4.604 -13.977) 15.000 3.749 ( -0.779 10.248 8.447) 13.304 3.830 ( 4.039 -0.152 0.667) 4.097 4.060 ( -4.193 -6.097 0.455) 7.414 4.264 ( 2.016 7.990 2.568) 8.631 4.708 ( -1.356 0.796 5.862) 6.069 4.804 ( 4.037 2.845 7.037) 8.597 5.062 ( -7.512 2.598 -2.568) 8.353 5.106 ( 3.905 -1.703 5.431) 6.903 5.113 ( -0.678 3.950 -0.039) 4.008 5.530 ( -1.460 0.838 6.675) 6.884 5.575 ( 8.882 1.064 -5.662) 10.587 5.694 ( 9.383 -2.113 -2.223) 9.872 5.878 ( 4.350 -4.874 -0.651) 6.565 5.913 ( -4.511 -1.176 -0.667) 4.710 6.339 ( -1.958 3.002 -0.774) 3.667 6.680 ( -3.923 -2.755 -4.776) 6.767 6.752 ( 0.476 -0.954 1.022) 1.477 6.823 ( -1.178 -0.709 -0.449) 1.447 7.352 ( -1.603 3.563 0.917) 4.013 7.431 ( -1.869 2.105 -0.543) 2.867 7.651 ( -1.823 5.500 4.339) 7.239 7.791 ( -1.349 1.110 0.829) 1.934 8.991 ( 3.063 1.527 -2.581) 4.287 9.259 ( 3.236 -5.778 2.803) 7.191 9.336 ( 2.172 2.652 -1.428) 3.713 9.555 ( 3.820 -1.180 3.741) 5.475 9.593 ( 8.807 -2.382 -3.133) 9.647 9.670 ( -0.903 -2.931 -1.570) 3.445 9.840 ( 0.695 1.036 2.510) 2.803 9.986 ( -2.314 1.526 8.650) 9.084 10.056 ( 5.560 0.433 3.096) 6.379 10.101 ( -7.125 -2.529 -1.639) 7.736 10.872 ( -4.771 16.538 9.081) 19.461 11.309 ( 14.905 -8.497 8.466) 19.132 11.550 ( 5.621 -7.810 -0.264) 9.626 11.644 ( -8.163 1.058 1.924) 8.453 11.826 ( 2.936 2.632 -0.782) 4.020 12.010 ( -3.964 5.743 3.315) 7.726 12.155 ( 1.618 1.444 -3.922) 4.481 12.256 ( -1.358 4.302 -10.201) 11.154 12.353 ( 0.241 -3.408 -9.348) 9.953 12.762 ( -4.160 4.840 -0.843) 6.437 12.909 ( -1.793 3.948 -2.036) 4.790 13.097 ( -4.790 -12.278 -3.933) 13.753 16.318 ( 1.666 3.299 3.595) 5.156 16.469 ( 1.625 -0.125 2.727) 3.177 17.253 ( -10.143 -4.903 0.588) 11.281 17.427 ( -5.211 -8.666 -5.011) 11.285 17.579 ( -0.795 5.304 -13.492) 14.519 18.053 ( -4.375 -6.504 -17.058) 18.772 19.380 ( 6.732 13.145 19.966) 24.834 20.107 ( 7.968 -7.353 5.546) 12.178 ======================= Grid point 273 (144/215) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -1.590 15.494 5.818) 16.627 2.489 ( 1.515 18.322 -6.207) 19.404 2.640 ( -3.270 -9.079 -0.603) 9.669 2.759 ( -0.384 -9.285 -7.584) 11.995 2.867 ( 0.129 1.500 -7.866) 8.009 3.028 ( 4.562 -12.422 -12.987) 18.541 3.203 ( -0.529 2.133 -7.147) 7.477 3.252 ( -0.486 -2.406 -6.721) 7.155 3.849 ( 0.729 -1.012 5.588) 5.726 3.852 ( 0.666 -1.483 5.324) 5.567 4.227 ( -2.477 7.587 7.563) 10.995 4.346 ( -3.116 -2.924 4.007) 5.858 4.863 ( 2.410 3.277 7.018) 8.112 4.951 ( 2.070 -4.614 5.971) 7.825 5.113 ( 0.179 8.835 0.356) 8.844 5.174 ( 2.475 0.627 -0.195) 2.561 5.269 ( -4.950 9.778 9.417) 14.450 5.461 ( -3.879 -6.494 7.392) 10.576 5.694 ( -0.278 3.753 -1.888) 4.211 5.787 ( -2.610 -3.267 -1.583) 4.471 5.820 ( 8.520 0.702 0.913) 8.597 5.863 ( 4.686 -3.267 1.040) 5.806 6.315 ( -5.093 4.310 -5.856) 8.878 6.422 ( -5.464 -5.293 -7.203) 10.477 6.801 ( 3.558 2.151 0.015) 4.158 6.850 ( 5.787 -2.075 -1.198) 6.264 7.431 ( -1.128 3.963 2.727) 4.941 7.475 ( -0.046 0.261 1.937) 1.955 7.772 ( -2.197 3.570 4.356) 6.046 7.806 ( -1.610 0.155 3.519) 3.873 8.984 ( 0.103 0.926 -5.343) 5.424 9.068 ( -0.415 -7.843 -5.745) 9.731 9.387 ( -0.980 0.302 1.302) 1.657 9.453 ( -1.942 -4.641 -1.398) 5.221 9.603 ( 2.419 0.902 -4.671) 5.337 9.644 ( 3.072 -1.858 -5.669) 6.710 9.978 ( -1.408 4.032 3.653) 5.620 10.016 ( -2.290 0.191 3.640) 4.305 10.170 ( 0.398 4.133 12.776) 13.434 10.223 ( 3.346 -0.620 10.574) 11.108 11.197 ( -9.437 11.490 4.211) 15.454 11.356 ( -13.430 -5.483 2.297) 14.687 11.468 ( 10.850 -0.754 4.904) 11.930 11.559 ( 6.351 -6.415 4.975) 10.307 11.926 ( -0.165 5.365 -2.146) 5.780 12.019 ( 1.976 -3.429 -2.825) 4.863 12.167 ( -0.023 3.047 -3.910) 4.958 12.242 ( 4.474 -3.436 -6.911) 8.921 12.348 ( 2.126 10.190 -5.444) 11.747 12.575 ( -2.695 -11.062 -7.124) 13.431 12.926 ( -0.735 2.038 1.209) 2.481 12.939 ( 1.085 0.997 -0.250) 1.495 16.464 ( 0.650 3.426 4.262) 5.507 16.508 ( -0.654 -0.681 3.665) 3.785 17.111 ( 0.592 -1.254 0.672) 1.541 17.171 ( -0.555 -6.770 -1.255) 6.908 17.525 ( 0.701 5.444 -15.814) 16.739 17.652 ( -0.291 -6.519 -18.658) 19.767 19.883 ( -0.549 10.489 13.345) 16.983 20.073 ( -1.108 -7.679 7.434) 10.745 ======================= Grid point 274 (145/215) ======================= q-point: ( 0.08 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 7.263 7.679 5.519) 11.924 2.514 ( 5.487 12.532 -0.578) 13.692 2.619 ( 3.461 -4.667 -4.497) 7.348 2.690 ( 3.184 -5.109 -6.084) 8.558 2.817 ( 3.698 2.819 -4.486) 6.461 3.009 ( 10.046 -13.119 -8.955) 18.794 3.177 ( 3.146 1.432 -3.957) 5.254 3.209 ( 3.832 -1.422 -5.355) 6.737 3.884 ( -2.337 0.487 3.481) 4.221 3.896 ( -2.648 -0.597 4.164) 4.971 4.251 ( -4.247 3.966 6.182) 8.485 4.315 ( -4.826 -1.462 2.663) 5.702 4.891 ( -4.534 3.390 1.749) 5.925 4.986 ( -1.852 -5.329 0.764) 5.693 5.154 ( 1.813 7.350 1.113) 7.651 5.199 ( 1.642 1.301 -1.642) 2.662 5.301 ( -4.915 9.996 10.817) 15.527 5.454 ( -6.864 -4.584 3.131) 8.827 5.670 ( -1.275 4.294 0.766) 4.545 5.718 ( -3.610 -0.979 -2.168) 4.323 5.894 ( -1.199 0.493 0.442) 1.369 5.931 ( 1.975 -2.534 1.429) 3.516 6.261 ( 4.991 1.891 -0.967) 5.424 6.344 ( 4.585 -5.113 -2.973) 7.483 6.846 ( 3.249 2.851 -2.166) 4.835 6.910 ( 5.104 -3.045 -4.617) 7.526 7.440 ( -1.608 4.851 2.716) 5.787 7.492 ( -0.371 0.044 1.603) 1.646 7.775 ( -3.262 3.722 3.334) 5.968 7.812 ( -2.506 0.273 2.761) 3.739 8.935 ( 0.171 -0.757 -2.449) 2.569 8.986 ( -1.109 -6.139 -4.302) 7.578 9.381 ( -3.149 -1.213 0.293) 3.388 9.405 ( -0.787 -4.440 1.008) 4.620 9.582 ( 1.336 1.546 -4.790) 5.207 9.618 ( 0.942 -1.322 -6.493) 6.692 9.961 ( -4.646 2.734 3.193) 6.266 9.994 ( -3.961 -0.004 1.764) 4.336 10.302 ( -2.791 4.055 10.641) 11.724 10.367 ( -0.988 -1.439 8.465) 8.643 11.088 ( -10.393 5.697 8.926) 14.837 11.174 ( -14.568 -3.626 9.307) 17.663 11.618 ( 3.317 0.586 -1.209) 3.579 11.671 ( 4.832 -2.157 -4.560) 6.985 11.873 ( -2.696 4.439 0.155) 5.196 11.966 ( -2.425 -3.749 -2.920) 5.334 12.182 ( 6.825 4.674 -3.390) 8.940 12.278 ( 8.072 -4.942 -4.669) 10.554 12.382 ( 5.991 4.109 -1.588) 7.436 12.488 ( 1.882 -5.915 -7.426) 9.679 12.943 ( 2.055 4.037 -1.045) 4.649 12.974 ( 3.671 0.999 -1.259) 4.008 16.487 ( -3.467 2.146 3.208) 5.188 16.508 ( -3.354 0.310 3.013) 4.519 17.202 ( 7.382 -1.534 -1.807) 7.753 17.247 ( 12.302 -5.378 1.775) 13.543 17.405 ( 3.038 3.379 -10.674) 11.601 17.509 ( 6.355 -5.939 -13.216) 15.821 19.938 ( -9.320 6.582 10.347) 15.403 20.047 ( -10.124 -3.941 3.988) 11.573 ======================= Grid point 275 (146/215) ======================= q-point: ( 0.17 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 4.464 3.207 -4.463) 7.080 2.616 ( 5.913 4.870 2.405) 8.029 2.703 ( 8.050 -0.694 2.695) 8.517 2.774 ( 8.114 -4.458 0.325) 9.264 2.948 ( 15.554 6.823 1.024) 17.015 3.115 ( 12.887 -6.525 -8.492) 16.756 3.203 ( 5.669 -0.630 -2.630) 6.281 3.247 ( 5.616 -2.597 -0.837) 6.244 3.846 ( -4.383 1.415 -0.519) 4.635 3.867 ( -3.942 -0.355 0.938) 4.067 4.229 ( -5.471 2.687 4.868) 7.800 4.279 ( -5.030 -1.553 5.183) 7.387 4.805 ( -7.400 5.325 0.822) 9.154 4.922 ( -6.701 -5.984 0.499) 8.998 5.139 ( -1.679 4.429 -3.334) 5.792 5.181 ( -0.264 0.099 -5.307) 5.314 5.338 ( -1.995 5.213 2.323) 6.046 5.370 ( -3.215 0.807 3.699) 4.967 5.590 ( -4.504 6.111 -2.942) 8.142 5.682 ( -3.644 -1.995 3.047) 5.152 5.877 ( -1.269 3.155 1.472) 3.705 5.960 ( 0.377 -3.412 1.447) 3.725 6.384 ( 7.442 1.793 0.844) 7.701 6.452 ( 8.130 -4.246 0.155) 9.173 6.856 ( 1.892 1.671 -3.091) 3.991 6.902 ( 1.703 -2.805 -6.367) 7.163 7.448 ( -0.748 5.329 2.691) 6.017 7.504 ( -0.211 -0.170 1.761) 1.782 7.740 ( -4.217 3.095 1.774) 5.523 7.779 ( -4.307 -0.204 1.078) 4.445 8.918 ( -1.002 -0.274 -0.224) 1.062 8.978 ( 1.494 -5.810 0.844) 6.058 9.328 ( -3.620 3.942 1.365) 5.524 9.423 ( -0.824 -4.219 1.992) 4.738 9.492 ( -6.097 0.273 -5.065) 7.932 9.539 ( -2.069 -3.288 -5.062) 6.381 9.934 ( -3.645 0.520 3.493) 5.075 9.951 ( -1.914 -1.159 1.240) 2.558 10.250 ( -11.258 2.114 0.307) 11.459 10.320 ( -10.184 -3.870 -0.349) 10.900 11.110 ( -4.556 3.379 14.702) 15.759 11.176 ( -5.573 -1.998 19.276) 20.165 11.555 ( -1.610 3.156 -7.910) 8.667 11.634 ( 2.653 -2.473 -10.972) 11.556 11.865 ( -0.421 2.145 2.549) 3.358 11.937 ( 0.659 -3.942 -1.318) 4.208 12.231 ( 5.994 6.436 -8.020) 11.903 12.332 ( 6.719 -3.577 -7.267) 10.524 12.472 ( 6.257 1.926 -2.600) 7.044 12.533 ( 8.247 -3.604 2.860) 9.444 12.967 ( 3.005 5.572 -0.771) 6.378 13.020 ( 4.259 0.519 -1.164) 4.445 16.442 ( -4.225 1.269 0.640) 4.458 16.469 ( -4.770 -0.944 1.453) 5.075 17.313 ( 8.339 6.833 0.187) 10.782 17.384 ( 6.709 5.868 -6.135) 10.820 17.530 ( 16.647 -9.397 4.552) 19.651 17.583 ( 15.973 -9.106 -6.756) 19.588 19.820 ( -17.017 2.245 6.232) 18.261 19.849 ( -17.408 -0.666 0.518) 17.429 ======================= Grid point 276 (147/215) ======================= q-point: ( 0.25 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 8.223 5.899 -1.192) 10.190 2.748 ( 5.707 -0.550 4.475) 7.273 2.846 ( 7.433 1.059 0.676) 7.538 2.918 ( 8.305 -2.777 0.950) 8.809 3.071 ( 2.907 4.723 -6.650) 8.659 3.203 ( 2.919 -6.637 -6.242) 9.567 3.363 ( 14.706 3.834 6.862) 16.675 3.409 ( 12.470 -0.683 0.260) 12.491 3.766 ( -2.365 2.216 -2.105) 3.865 3.820 ( -0.832 -3.132 -0.561) 3.289 4.212 ( -4.021 3.243 5.780) 7.752 4.277 ( -3.138 -2.961 7.387) 8.555 4.679 ( -8.366 5.765 -1.079) 10.217 4.784 ( -9.950 -3.880 -1.111) 10.738 5.069 ( -1.531 0.883 -3.880) 4.264 5.088 ( -2.455 -0.791 -4.055) 4.806 5.341 ( 2.578 4.256 -0.606) 5.013 5.406 ( 2.935 -0.968 -0.282) 3.103 5.524 ( -0.853 9.278 -0.683) 9.342 5.661 ( -2.453 -2.305 2.390) 4.128 5.876 ( -1.242 4.590 1.528) 4.995 5.973 ( -0.938 -3.577 1.504) 3.992 6.472 ( 3.466 2.622 -0.599) 4.387 6.548 ( 3.723 -4.508 -0.314) 5.855 6.832 ( -1.963 -0.214 -4.299) 4.731 6.842 ( -0.032 -1.004 -2.996) 3.160 7.481 ( 0.498 4.901 2.524) 5.535 7.525 ( 0.041 0.598 1.778) 1.877 7.703 ( -2.266 0.557 1.888) 3.001 7.717 ( -4.302 -0.149 1.525) 4.567 8.879 ( -4.058 3.366 -0.739) 5.324 8.997 ( -0.227 -7.202 -0.603) 7.231 9.279 ( -8.329 4.106 -5.166) 10.626 9.292 ( -6.307 3.348 3.113) 7.790 9.423 ( -6.657 -6.851 -3.017) 10.018 9.436 ( -2.888 -7.655 0.762) 8.217 9.911 ( -3.277 3.848 2.031) 5.447 9.978 ( -4.751 -2.915 5.801) 8.045 10.050 ( -6.337 0.241 -1.733) 6.574 10.116 ( -8.365 -5.967 -3.776) 10.947 11.149 ( -3.222 3.060 -3.480) 5.644 11.254 ( -4.297 -7.096 -4.264) 9.328 11.522 ( 3.289 5.919 8.371) 10.767 11.586 ( 3.664 0.002 -1.282) 3.882 11.915 ( 1.719 -0.100 2.397) 2.952 11.943 ( 1.312 -2.440 0.492) 2.814 12.233 ( 4.753 7.843 -3.839) 9.942 12.357 ( 5.818 -3.780 -3.388) 7.721 12.556 ( 7.318 5.249 -4.388) 10.017 12.661 ( 5.711 -4.719 -2.147) 7.713 13.056 ( 4.894 5.093 6.291) 9.459 13.108 ( 5.542 0.394 3.972) 6.829 16.377 ( -3.567 0.327 -1.142) 3.759 16.398 ( -4.592 -1.517 -0.472) 4.859 17.470 ( 9.369 7.907 -1.569) 12.360 17.487 ( 10.468 8.622 3.895) 14.110 17.779 ( 16.717 -5.584 -5.000) 18.320 17.871 ( 16.965 -11.532 5.616) 21.268 19.509 ( -22.227 1.911 -3.303) 22.552 19.562 ( -21.885 -2.832 2.908) 22.258 ======================= Grid point 277 (148/215) ======================= q-point: ( 0.33 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 7.874 4.522 -2.887) 9.528 2.882 ( 4.723 -3.424 2.586) 6.381 2.936 ( 4.684 2.718 -3.569) 6.486 3.008 ( 2.961 6.817 -1.720) 7.629 3.046 ( 2.653 -2.833 0.644) 3.934 3.160 ( -0.728 -5.286 -1.668) 5.591 3.552 ( 6.342 8.396 0.785) 10.551 3.598 ( 7.591 3.051 -0.366) 8.190 3.730 ( 0.870 0.906 -3.709) 3.916 3.867 ( 3.212 -10.111 0.890) 10.647 4.240 ( -2.940 6.168 10.125) 12.215 4.350 ( -2.809 -3.827 10.927) 11.914 4.546 ( -1.637 4.519 -3.394) 5.884 4.621 ( -6.520 -1.911 -1.889) 7.052 5.001 ( -2.166 1.700 -1.630) 3.200 5.053 ( 0.438 -3.172 -0.746) 3.288 5.404 ( 6.329 3.133 -1.089) 7.145 5.454 ( 5.153 -1.468 -2.066) 5.743 5.528 ( 0.765 9.429 -0.266) 9.463 5.645 ( -2.100 -0.531 0.628) 2.256 5.871 ( -0.336 3.910 -0.778) 4.001 5.962 ( -1.374 -3.854 -0.555) 4.129 6.494 ( 0.143 3.662 0.575) 3.709 6.582 ( 0.104 -4.804 2.698) 5.511 6.753 ( -2.764 2.164 -1.073) 3.671 6.813 ( -0.523 -2.995 -0.742) 3.129 7.481 ( -2.829 4.334 0.527) 5.202 7.520 ( -2.706 0.606 0.144) 2.777 7.707 ( -0.075 0.494 3.162) 3.202 7.723 ( 0.790 -1.416 2.638) 3.097 8.774 ( -5.138 5.561 -3.400) 8.300 8.946 ( -3.087 -9.405 -4.534) 10.887 9.093 ( -7.982 3.367 -1.111) 8.734 9.232 ( -5.983 -8.721 -0.009) 10.576 9.270 ( -7.519 0.157 -0.558) 7.542 9.357 ( -7.480 -8.234 0.708) 11.147 9.767 ( -7.456 3.359 -7.126) 10.847 9.853 ( -8.587 -5.189 -3.851) 10.747 10.067 ( 3.739 4.240 6.449) 8.576 10.157 ( 2.911 -3.479 7.744) 8.975 10.934 ( -3.313 0.805 -21.467) 21.736 10.999 ( -3.858 -5.330 -23.958) 24.846 11.688 ( 2.378 1.736 5.969) 6.655 11.718 ( 1.610 -0.931 8.737) 8.933 11.950 ( 2.435 3.672 4.795) 6.512 12.004 ( 3.486 -1.053 2.341) 4.329 12.341 ( 6.652 8.073 6.059) 12.089 12.476 ( 7.029 -4.429 5.320) 9.865 12.586 ( 4.598 5.272 -6.347) 9.446 12.676 ( 2.361 -3.603 -4.925) 6.543 13.244 ( 5.248 4.491 11.892) 13.753 13.285 ( 6.375 0.958 9.847) 11.769 16.307 ( -2.567 -0.469 -2.419) 3.558 16.320 ( -3.550 -1.593 -1.690) 4.242 17.623 ( 10.883 9.760 -0.730) 14.637 17.724 ( 12.777 5.868 4.205) 14.675 17.952 ( 10.925 2.315 -4.610) 12.082 18.186 ( 14.140 -13.418 5.801) 20.338 19.087 ( -23.855 3.915 -5.472) 24.786 19.225 ( -22.122 -8.528 1.082) 23.733 ======================= Grid point 278 (149/215) ======================= q-point: ( 0.42 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -0.692 2.645 -5.918) 6.519 2.837 ( -3.410 -3.561 -4.769) 6.859 3.009 ( 6.333 4.009 -4.895) 8.953 3.077 ( 4.618 -2.332 -9.243) 10.592 3.111 ( 7.361 5.405 4.836) 10.334 3.206 ( 1.461 -2.566 9.639) 10.081 3.639 ( 0.362 5.173 3.350) 6.174 3.663 ( 2.893 1.564 -0.397) 3.312 3.688 ( -0.439 1.939 -5.051) 5.428 3.819 ( -2.767 -6.753 -5.712) 9.268 4.284 ( -7.798 4.419 9.634) 13.159 4.339 ( -5.408 0.056 2.018) 5.773 4.623 ( 6.520 1.769 3.987) 7.844 4.648 ( 6.093 -0.043 8.315) 10.309 4.974 ( -0.935 3.884 0.953) 4.107 5.067 ( 0.648 -4.868 1.075) 5.027 5.480 ( 2.833 2.039 -2.069) 4.058 5.502 ( 1.222 0.240 -1.897) 2.269 5.540 ( 3.437 6.146 -0.028) 7.042 5.627 ( 1.081 0.985 0.024) 1.462 5.819 ( -2.274 2.075 -5.810) 6.575 5.890 ( -3.952 -3.493 -5.913) 7.924 6.544 ( 2.451 5.204 7.011) 9.068 6.652 ( 1.457 -4.768 8.629) 9.965 6.745 ( 0.740 3.248 2.847) 4.382 6.823 ( 1.191 -3.301 1.406) 3.780 7.413 ( -4.704 3.790 -1.842) 6.315 7.454 ( -4.352 0.251 -1.310) 4.552 7.743 ( 0.238 0.127 1.881) 1.900 7.758 ( -0.010 -1.562 1.555) 2.204 8.682 ( -1.078 3.481 -3.054) 4.754 8.813 ( -5.328 -7.940 -4.158) 10.427 9.018 ( -1.726 0.186 -1.086) 2.048 9.086 ( -6.928 -4.905 -3.128) 9.046 9.217 ( -1.119 -3.668 -0.103) 3.837 9.261 ( -5.582 -8.594 2.975) 10.670 9.577 ( -4.986 3.137 -8.680) 10.490 9.680 ( -5.725 -7.017 -6.378) 11.077 10.218 ( 4.163 4.856 6.767) 9.311 10.272 ( 0.455 0.029 6.788) 6.804 10.625 ( -2.630 -1.491 -24.111) 24.300 10.657 ( -2.512 -4.498 -26.486) 26.983 11.716 ( -0.858 1.199 -1.418) 2.046 11.740 ( -1.086 -1.178 -0.556) 1.696 12.119 ( 5.107 3.250 6.733) 9.054 12.146 ( 4.468 0.282 13.942) 14.643 12.489 ( 3.018 4.793 -0.763) 5.716 12.531 ( 0.994 2.199 -4.749) 5.327 12.681 ( 2.818 -0.674 2.873) 4.081 12.696 ( 5.523 -1.352 8.820) 10.494 13.470 ( 3.841 5.333 14.899) 16.284 13.507 ( 4.831 2.005 13.004) 14.017 16.245 ( -1.284 -0.944 -3.023) 3.417 16.252 ( -2.141 -1.490 -2.353) 3.513 17.775 ( 9.179 10.104 -1.921) 13.785 17.940 ( 10.299 -4.154 -5.222) 12.272 18.025 ( 4.986 16.479 0.834) 17.237 18.424 ( 9.216 -20.420 -0.891) 22.421 18.681 ( -19.147 10.805 0.170) 21.986 18.929 ( -16.398 -13.188 2.274) 21.166 ======================= Grid point 279 (150/215) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -2.614 2.499 -3.151) 4.796 2.750 ( -1.685 -3.848 -2.423) 4.850 3.009 ( 4.237 1.661 -10.123) 11.099 3.034 ( 3.780 -0.780 -8.683) 9.503 3.255 ( 3.900 2.862 2.030) 5.247 3.335 ( 2.144 -4.181 4.638) 6.603 3.558 ( -4.949 5.305 -1.552) 7.419 3.641 ( -2.026 -1.491 2.439) 3.504 3.733 ( 1.468 4.138 2.136) 4.883 3.777 ( 0.050 -0.514 0.153) 0.538 4.236 ( -5.832 2.302 3.590) 7.225 4.293 ( -1.310 -1.660 0.104) 2.117 4.787 ( 1.888 4.737 8.317) 9.756 4.828 ( 3.757 2.389 8.105) 9.247 4.990 ( 1.069 3.856 2.327) 4.629 5.081 ( -1.427 -4.430 2.053) 5.087 5.461 ( -0.645 2.327 -1.350) 2.767 5.464 ( -1.539 0.265 -1.618) 2.249 5.600 ( 1.711 4.904 -0.436) 5.212 5.643 ( -1.840 4.487 -5.820) 7.575 5.707 ( -4.108 -3.135 -3.174) 6.065 5.733 ( -1.383 -3.844 -5.389) 6.763 6.689 ( 1.669 5.162 8.062) 9.718 6.804 ( 2.081 -4.546 10.194) 11.354 6.863 ( 7.109 2.040 6.794) 10.043 6.884 ( 5.656 1.138 3.437) 6.716 7.289 ( -5.473 3.893 -5.625) 8.761 7.353 ( -4.926 -1.506 -3.694) 6.339 7.755 ( -1.013 -0.399 1.311) 1.704 7.761 ( -0.005 -1.196 0.500) 1.297 8.672 ( 1.163 0.509 -0.300) 1.305 8.736 ( 0.319 -5.381 -1.207) 5.524 8.943 ( -1.996 -0.267 -5.892) 6.226 9.001 ( 1.757 -5.955 -5.310) 8.170 9.248 ( 1.415 -4.097 1.619) 4.627 9.257 ( 3.918 -4.692 2.073) 6.455 9.435 ( -1.558 0.404 -6.091) 6.300 9.539 ( -3.362 -9.369 -5.170) 11.217 10.249 ( -3.549 3.721 -9.184) 10.526 10.328 ( 1.522 1.398 -19.123) 19.235 10.339 ( -2.035 -1.987 2.154) 3.568 10.410 ( 0.275 -3.425 -9.318) 9.932 11.688 ( -1.655 1.583 0.884) 2.455 11.715 ( -1.501 -1.012 0.612) 1.911 12.248 ( 5.184 6.480 -0.147) 8.300 12.365 ( 5.782 -5.024 6.809) 10.249 12.420 ( -2.496 4.972 -4.083) 6.901 12.490 ( -4.525 -1.420 2.647) 5.431 12.805 ( 2.155 3.204 7.629) 8.550 12.846 ( 1.811 -0.790 6.756) 7.038 13.670 ( -0.521 6.430 14.493) 15.864 13.700 ( 0.179 3.668 12.736) 13.255 16.202 ( -0.490 -1.034 -2.417) 2.674 16.205 ( 0.116 -1.283 -2.728) 3.017 17.827 ( 0.255 7.971 -3.444) 8.687 17.916 ( 0.335 1.558 -5.191) 5.431 18.150 ( 5.043 5.764 -3.478) 8.411 18.310 ( -1.985 -6.081 -8.245) 10.435 18.693 ( 2.104 -2.471 8.244) 8.860 18.777 ( -6.544 -8.825 4.942) 12.047 ======================= Grid point 280 (151/215) ======================= q-point: (-0.42 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -0.917 4.449 -1.316) 4.729 2.737 ( 0.899 -6.283 1.009) 6.427 2.949 ( 1.761 1.140 -8.368) 8.627 2.994 ( 2.136 -3.067 -6.229) 7.264 3.247 ( -4.022 5.800 -1.196) 7.158 3.367 ( 3.866 -5.276 -3.436) 7.388 3.568 ( -0.174 5.088 4.670) 6.908 3.640 ( -1.597 -0.741 1.580) 2.365 3.745 ( -3.114 3.184 1.052) 4.576 3.768 ( -2.852 1.219 2.463) 3.961 4.215 ( -1.681 2.669 3.569) 4.763 4.306 ( 2.100 -4.664 1.456) 5.318 4.819 ( -7.608 6.358 6.731) 11.984 4.889 ( -4.851 1.393 2.086) 5.461 5.074 ( 3.659 2.741 2.853) 5.388 5.093 ( 2.021 0.394 3.190) 3.797 5.421 ( -5.415 5.127 -3.100) 8.076 5.444 ( -1.284 1.902 -2.523) 3.410 5.502 ( 1.682 -3.483 -1.929) 4.322 5.529 ( -6.801 -1.279 -3.601) 7.801 5.638 ( 0.776 4.570 -0.197) 4.640 5.759 ( 1.864 -4.293 -0.546) 4.712 6.754 ( -2.070 3.750 4.786) 6.423 6.841 ( -4.806 -4.460 2.555) 7.037 6.994 ( -1.623 11.150 0.470) 11.278 7.127 ( 10.112 2.919 7.560) 12.958 7.198 ( 4.712 -0.119 -0.999) 4.819 7.228 ( -3.014 -6.643 -4.497) 8.569 7.755 ( -0.237 0.832 1.185) 1.467 7.780 ( 0.980 -1.466 1.043) 2.049 8.698 ( 1.572 0.661 1.437) 2.230 8.772 ( 2.719 -5.104 -0.002) 5.783 8.904 ( 6.433 0.444 -4.552) 7.893 8.992 ( 6.537 -8.382 -7.740) 13.149 9.272 ( 1.534 4.627 -1.371) 5.064 9.385 ( 8.649 -1.285 -1.105) 8.813 9.440 ( 4.583 -6.082 -0.526) 7.634 9.496 ( 6.304 -14.173 -0.564) 15.522 10.049 ( -2.308 2.675 -12.058) 12.565 10.122 ( 0.250 -4.399 -13.250) 13.963 10.368 ( -2.378 1.015 0.567) 2.647 10.370 ( -0.968 0.743 1.724) 2.112 11.684 ( -1.929 1.647 3.172) 4.062 11.711 ( -1.841 -0.758 3.072) 3.661 12.234 ( -0.319 4.532 -8.679) 9.796 12.267 ( -1.960 1.801 -11.073) 11.388 12.484 ( -3.943 2.157 8.843) 9.919 12.559 ( 2.478 -5.183 9.422) 11.036 12.882 ( -1.375 2.476 4.953) 5.706 12.902 ( -1.760 0.328 3.417) 3.857 13.738 ( -8.121 7.157 8.912) 14.021 13.758 ( -7.960 5.188 7.604) 12.170 16.180 ( 0.945 -0.276 -1.835) 2.083 16.196 ( 1.782 -1.671 -1.598) 2.919 17.793 ( -1.550 2.664 2.052) 3.703 17.844 ( -3.057 -1.801 -2.454) 4.314 18.115 ( -1.542 5.878 -1.269) 6.208 18.273 ( 4.508 -8.082 -11.242) 14.561 18.731 ( -1.309 5.791 5.980) 8.426 18.882 ( 8.061 -8.345 2.987) 11.981 ======================= Grid point 281 (152/215) ======================= q-point: (-0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -0.000 9.273 -0.666) 9.297 2.774 ( -0.102 -4.702 2.819) 5.483 2.914 ( 2.688 -2.090 -2.175) 4.040 2.970 ( 1.903 -6.182 -4.417) 7.833 3.166 ( -3.995 12.431 -1.308) 13.123 3.392 ( 2.172 -8.426 -1.694) 8.864 3.558 ( -3.415 3.408 -1.376) 5.017 3.632 ( -0.727 -2.715 -0.156) 2.815 3.657 ( -7.128 5.864 0.955) 9.280 3.753 ( -2.570 -2.496 1.895) 4.053 4.240 ( -2.172 4.986 4.929) 7.340 4.383 ( 1.891 -7.901 5.141) 9.614 4.721 ( -10.366 6.553 0.783) 12.289 4.771 ( -7.808 2.532 -0.800) 8.248 5.129 ( 0.329 8.627 0.671) 8.659 5.193 ( 4.390 -0.010 0.993) 4.501 5.284 ( -0.775 0.622 -4.196) 4.313 5.323 ( -6.997 -0.146 -2.281) 7.361 5.508 ( 1.908 0.813 0.130) 2.078 5.561 ( 3.201 -3.454 0.789) 4.775 5.653 ( 0.626 4.814 1.913) 5.218 5.778 ( 1.479 -4.855 1.016) 5.176 6.716 ( -9.988 0.978 -1.572) 10.158 6.729 ( -5.705 -0.672 2.169) 6.140 6.919 ( -0.598 10.033 -5.260) 11.344 7.098 ( -1.594 -4.191 -7.112) 8.407 7.322 ( 4.167 1.912 5.485) 7.149 7.379 ( 6.952 -2.753 5.182) 9.097 7.770 ( -0.107 1.898 1.374) 2.346 7.806 ( 0.669 -1.308 0.930) 1.739 8.736 ( 4.695 2.805 -2.823) 6.154 8.843 ( 5.165 -4.927 2.484) 7.558 9.006 ( 8.525 -1.742 -1.954) 8.918 9.077 ( 11.385 -8.056 -1.261) 14.003 9.289 ( 4.803 5.569 -2.884) 7.899 9.468 ( 3.590 -9.942 -1.775) 10.719 9.548 ( 11.066 2.251 -0.222) 11.295 9.682 ( 11.744 -9.055 -1.497) 14.904 9.976 ( 4.763 2.632 -1.290) 5.593 10.074 ( 5.833 -6.538 -3.033) 9.272 10.331 ( -3.985 2.259 2.562) 5.248 10.359 ( -1.764 -0.385 1.199) 2.167 11.694 ( -1.712 1.833 3.628) 4.411 11.720 ( -1.130 -0.614 2.900) 3.173 12.089 ( -5.125 2.614 -7.606) 9.537 12.116 ( -4.038 0.115 -7.686) 8.683 12.506 ( -3.808 7.019 4.798) 9.316 12.655 ( -0.708 -6.804 4.056) 7.953 12.864 ( -4.318 1.978 -0.293) 4.759 12.888 ( -2.441 -0.707 1.299) 2.854 13.613 ( -14.474 6.546 1.979) 16.008 13.618 ( -14.943 5.799 1.568) 16.106 16.192 ( 2.343 0.750 -0.733) 2.567 16.225 ( 3.021 -2.217 -0.175) 3.752 17.752 ( -5.461 1.236 -0.213) 5.604 17.831 ( -4.060 -6.206 5.112) 9.007 18.079 ( -1.805 4.251 -1.170) 4.764 18.190 ( 0.408 -6.068 -6.669) 9.026 18.824 ( 7.511 12.771 1.798) 14.924 19.061 ( 11.852 -10.364 1.725) 15.838 ======================= Grid point 282 (153/215) ======================= q-point: (-0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -4.635 14.774 -0.684) 15.499 2.802 ( -0.625 -2.253 3.485) 4.197 2.940 ( 0.046 -7.141 -3.136) 7.799 2.976 ( 3.424 -5.895 1.124) 6.910 3.081 ( -3.859 16.702 -3.835) 17.566 3.351 ( -3.406 -5.588 -4.742) 8.082 3.478 ( -3.824 3.109 -1.665) 5.202 3.528 ( -5.467 0.004 -1.889) 5.784 3.660 ( -0.577 -1.620 2.650) 3.159 3.750 ( 0.560 -8.336 3.476) 9.049 4.223 ( -8.701 9.006 5.978) 13.876 4.411 ( -8.174 -7.643 5.379) 12.416 4.587 ( -0.889 6.095 -2.666) 6.711 4.661 ( -1.702 0.168 -3.691) 4.068 5.082 ( -4.125 9.544 1.376) 10.488 5.202 ( -3.998 -1.907 0.378) 4.446 5.299 ( 5.892 1.552 -1.883) 6.378 5.326 ( 8.047 -0.911 -2.729) 8.546 5.509 ( 0.152 1.599 -2.132) 2.669 5.597 ( 0.433 -4.240 0.817) 4.339 5.712 ( 1.850 5.723 4.195) 7.333 5.842 ( 2.339 -5.138 3.450) 6.616 6.556 ( -6.935 4.740 -1.192) 8.484 6.651 ( -5.478 -4.519 1.599) 7.279 6.856 ( -0.475 6.928 -4.792) 8.438 6.994 ( -1.404 -4.568 -7.830) 9.173 7.404 ( 0.194 3.588 3.522) 5.032 7.484 ( 1.188 -2.953 2.360) 3.963 7.768 ( -1.953 3.184 1.354) 3.973 7.817 ( -0.545 -1.147 0.850) 1.528 8.810 ( 8.298 3.707 -2.469) 9.418 8.953 ( 6.714 -9.328 -0.548) 11.506 9.156 ( 9.214 3.488 3.180) 10.353 9.243 ( 6.909 -3.336 2.361) 8.027 9.391 ( 11.501 0.649 -1.828) 11.664 9.507 ( 4.185 -8.426 -2.311) 9.687 9.690 ( 5.528 4.844 2.196) 7.671 9.801 ( 6.118 -4.121 0.565) 7.398 10.132 ( 0.976 1.108 -3.740) 4.021 10.160 ( 8.188 -3.473 3.340) 9.501 10.347 ( 5.624 2.696 5.503) 8.317 10.441 ( 10.853 -6.460 6.854) 14.370 11.699 ( -2.889 4.862 2.787) 6.306 11.745 ( 1.533 0.272 1.027) 1.865 11.933 ( -5.741 0.539 -4.417) 7.263 11.974 ( -4.094 -3.840 -4.193) 7.007 12.455 ( -7.131 9.157 1.213) 11.669 12.604 ( -7.456 -4.399 -1.708) 8.824 12.759 ( -4.501 3.984 -5.167) 7.926 12.858 ( -0.317 -6.071 -2.597) 6.610 13.356 ( -16.501 5.604 -0.898) 17.450 13.376 ( -15.412 4.024 -0.545) 15.938 16.237 ( 3.237 1.810 0.696) 3.774 16.284 ( 3.696 -2.536 1.103) 4.617 17.617 ( -11.727 1.053 0.294) 11.777 17.711 ( -12.431 -8.058 -1.579) 14.898 18.021 ( -0.890 6.666 -5.832) 8.902 18.170 ( 1.075 -7.649 -3.192) 8.358 19.026 ( 13.226 15.981 5.427) 21.442 19.314 ( 15.159 -11.904 5.062) 19.928 ======================= Grid point 283 (154/215) ======================= q-point: (-0.17 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -7.952 17.400 1.674) 19.204 2.778 ( -6.082 -1.803 0.117) 6.345 2.869 ( -7.232 0.329 -3.422) 8.007 2.979 ( 0.772 9.898 -6.188) 11.699 2.998 ( -0.281 -4.841 -2.861) 5.630 3.216 ( -3.943 -3.252 -7.156) 8.794 3.418 ( -0.251 0.250 -3.107) 3.127 3.446 ( -3.583 -2.151 -0.763) 4.248 3.676 ( 0.865 0.509 1.702) 1.976 3.811 ( -0.031 -11.769 1.271) 11.837 4.135 ( -7.592 11.723 6.703) 15.492 4.319 ( -5.863 -4.067 3.075) 7.770 4.618 ( 2.880 1.587 4.254) 5.377 4.670 ( 2.010 -2.544 3.104) 4.489 5.070 ( -0.190 6.259 2.532) 6.754 5.156 ( -1.369 -1.866 -1.074) 2.552 5.324 ( -2.125 7.317 0.279) 7.624 5.438 ( 5.938 -2.788 -0.239) 6.564 5.524 ( 7.522 2.779 -3.674) 8.820 5.611 ( 1.719 -3.232 0.167) 3.664 5.773 ( 0.511 3.388 2.535) 4.262 5.888 ( -1.405 -5.344 2.402) 6.025 6.482 ( -1.730 6.327 -0.480) 6.577 6.614 ( -0.924 -6.146 0.721) 6.256 6.797 ( -1.624 3.761 -2.735) 4.926 6.878 ( -2.959 -3.307 -6.220) 7.641 7.422 ( -1.433 3.471 2.223) 4.364 7.484 ( -2.319 -1.664 0.582) 2.914 7.754 ( -2.005 4.252 2.311) 5.238 7.809 ( -1.979 -1.067 1.554) 2.733 8.926 ( 8.279 2.484 -1.749) 8.819 9.042 ( 6.131 -8.559 -1.885) 10.696 9.313 ( 3.149 3.404 5.095) 6.889 9.373 ( 7.473 -2.432 1.405) 7.984 9.546 ( 6.422 -1.844 -2.879) 7.276 9.570 ( 8.104 -1.942 0.336) 8.340 9.804 ( 3.403 6.058 6.130) 9.266 9.911 ( 4.384 -2.834 3.657) 6.374 10.058 ( -2.807 3.784 -2.472) 5.320 10.146 ( -4.879 -4.640 -1.640) 6.930 10.721 ( 21.980 -1.440 10.674) 24.477 10.771 ( 16.952 -4.398 8.378) 19.413 11.620 ( -8.575 7.986 0.082) 11.718 11.765 ( -8.112 -4.822 0.862) 9.476 11.819 ( 3.743 5.571 -1.672) 6.917 11.962 ( 5.783 -8.098 -2.325) 10.218 12.313 ( -9.552 7.531 -1.179) 12.221 12.414 ( -8.966 -2.607 -6.044) 11.122 12.625 ( -3.135 7.935 -7.907) 11.632 12.811 ( -0.231 -8.790 -5.601) 10.426 13.112 ( -13.197 3.809 0.553) 13.747 13.143 ( -12.758 1.190 -0.622) 12.829 16.307 ( 3.485 2.723 2.114) 4.902 16.363 ( 3.729 -2.448 2.281) 5.010 17.404 ( -14.793 0.073 0.627) 14.807 17.471 ( -13.529 -6.120 -2.350) 15.034 17.902 ( -0.988 8.238 -12.986) 15.410 18.087 ( -1.263 -9.394 -11.747) 15.095 19.344 ( 13.100 15.638 12.198) 23.769 19.634 ( 14.072 -12.061 9.021) 20.612 ======================= Grid point 284 (155/215) ======================= q-point: (-0.08 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -7.373 17.940 4.936) 20.014 2.614 ( -5.750 18.805 -8.851) 21.564 2.726 ( -8.197 -12.128 1.929) 14.765 2.875 ( -2.206 -5.533 -9.128) 10.899 2.953 ( 0.256 1.796 -6.434) 6.685 3.099 ( 0.524 -5.453 -8.174) 9.840 3.344 ( -1.696 -1.987 -9.870) 10.210 3.358 ( -3.277 -2.867 -5.597) 7.092 3.747 ( 3.075 -0.571 4.993) 5.892 3.799 ( -0.056 -5.399 1.631) 5.641 4.163 ( -2.293 10.467 9.759) 14.493 4.323 ( -1.554 -3.389 5.709) 6.819 4.730 ( 2.266 1.978 7.618) 8.190 4.796 ( 4.974 -3.438 8.888) 10.749 5.118 ( 1.857 2.045 1.723) 3.256 5.133 ( 1.119 1.335 -1.943) 2.610 5.272 ( -6.174 11.640 4.700) 13.989 5.466 ( -3.528 -5.988 3.536) 7.798 5.649 ( 9.136 3.443 -0.580) 9.780 5.681 ( 8.046 0.537 -2.667) 8.494 5.794 ( 1.058 -1.678 0.556) 2.060 5.856 ( -4.001 -4.717 0.508) 6.206 6.444 ( -2.167 6.477 -3.762) 7.797 6.582 ( -2.623 -6.209 -5.713) 8.836 6.761 ( 0.182 1.559 0.173) 1.579 6.800 ( -0.138 -1.711 -0.710) 1.857 7.422 ( -1.348 3.306 2.140) 4.162 7.461 ( -1.179 0.009 1.429) 1.852 7.758 ( -1.775 3.849 3.533) 5.518 7.798 ( -2.116 -0.454 2.771) 3.516 9.004 ( 4.406 0.968 -3.385) 5.640 9.095 ( 3.540 -7.611 -3.302) 9.021 9.380 ( 0.218 2.266 2.443) 3.339 9.464 ( 1.856 -5.073 0.356) 5.414 9.591 ( 4.412 3.242 -3.448) 6.470 9.659 ( 3.513 -1.855 -3.172) 5.083 9.921 ( 2.253 4.908 5.310) 7.574 9.991 ( -1.924 -1.506 6.569) 7.008 10.073 ( 3.169 0.740 3.664) 4.900 10.075 ( -0.605 -0.110 2.897) 2.961 11.108 ( 11.879 4.601 8.646) 15.396 11.166 ( 18.064 -4.189 8.933) 20.583 11.477 ( -8.409 3.007 0.556) 8.947 11.599 ( -12.369 -5.423 1.783) 13.623 11.903 ( 5.596 4.889 -1.583) 7.597 12.016 ( 3.222 -4.941 -3.606) 6.914 12.196 ( -1.293 3.619 -1.901) 4.287 12.259 ( 0.324 -2.363 -6.879) 7.280 12.471 ( -4.902 11.300 -8.217) 14.807 12.714 ( -3.707 -10.334 -6.523) 12.770 12.966 ( -6.321 1.212 1.388) 6.584 12.976 ( -6.804 0.766 -0.132) 6.848 16.390 ( 2.919 3.399 3.333) 5.584 16.448 ( 2.760 -1.962 3.329) 4.749 17.196 ( -11.025 0.082 0.572) 11.040 17.264 ( -9.073 -6.209 -1.346) 11.076 17.715 ( -0.730 7.570 -17.044) 18.663 17.886 ( -2.141 -8.655 -18.020) 20.105 19.667 ( 7.616 13.551 14.526) 21.276 19.921 ( 7.868 -10.637 9.634) 16.367 ======================= Grid point 333 (156/215) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.224 0.000 28.551) 28.552 2.066 ( 0.723 0.000 31.702) 31.710 2.433 ( -0.033 0.000 -20.340) 20.340 2.602 ( 0.172 0.000 -20.883) 20.883 2.885 ( 6.035 0.000 5.086) 7.893 3.040 ( -6.258 0.000 -9.667) 11.516 3.085 ( 2.698 0.000 42.804) 42.889 3.512 ( -0.663 0.000 4.473) 4.522 3.686 ( 1.497 0.000 -5.443) 5.645 3.817 ( 1.003 0.000 0.067) 1.006 3.828 ( 3.095 0.000 -6.956) 7.614 3.953 ( -7.562 0.000 -31.863) 32.748 4.612 ( 5.269 0.000 6.604) 8.449 4.694 ( -2.962 0.000 -1.680) 3.406 4.892 ( -3.214 0.000 1.449) 3.526 4.966 ( 1.091 0.000 -5.939) 6.038 5.369 ( -9.192 0.000 7.817) 12.067 5.516 ( 9.305 0.000 -7.249) 11.795 5.702 ( -3.729 0.000 1.262) 3.937 5.746 ( 4.786 0.000 -3.300) 5.814 6.088 ( 3.100 0.000 4.598) 5.546 6.171 ( -3.337 0.000 -3.971) 5.187 6.479 ( 4.911 0.000 -0.038) 4.911 6.484 ( -4.730 0.000 -0.713) 4.783 6.929 ( 1.084 0.000 3.762) 3.915 6.962 ( -4.730 0.000 0.358) 4.744 7.300 ( 8.215 0.000 2.558) 8.604 7.332 ( -4.980 0.000 -1.223) 5.128 7.556 ( -1.061 0.000 2.287) 2.521 7.608 ( 0.618 0.000 -3.242) 3.300 9.185 ( 1.639 0.000 7.001) 7.190 9.203 ( 1.539 0.000 4.632) 4.881 9.352 ( -0.953 0.000 -3.685) 3.806 9.352 ( 0.436 0.000 -3.273) 3.302 9.653 ( 2.592 0.000 3.580) 4.420 9.662 ( -4.096 0.000 2.187) 4.644 10.009 ( -0.717 0.000 -1.967) 2.093 10.021 ( 1.074 0.000 -2.229) 2.475 10.149 ( -0.448 0.000 1.642) 1.702 10.192 ( 1.146 0.000 -2.458) 2.712 10.368 ( -8.704 0.000 27.025) 28.393 10.913 ( 8.251 0.000 -28.039) 29.228 11.633 ( 0.511 0.000 0.843) 0.986 11.650 ( -0.001 0.000 -0.825) 0.825 11.901 ( -2.033 0.000 5.116) 5.505 11.909 ( -4.553 0.000 5.094) 6.832 12.111 ( 2.911 0.000 -2.556) 3.873 12.150 ( 0.071 0.000 -5.910) 5.911 12.549 ( -5.941 0.000 20.391) 21.239 12.681 ( 2.606 0.000 3.597) 4.442 12.740 ( 5.556 0.000 -6.482) 8.538 13.039 ( -0.242 0.000 -25.666) 25.667 16.365 ( -1.021 0.000 4.313) 4.432 16.427 ( 0.903 0.000 -2.103) 2.289 17.563 ( 3.083 0.000 4.531) 5.480 17.613 ( -7.263 0.000 2.785) 7.779 17.682 ( 0.059 0.000 -2.119) 2.119 17.747 ( 4.279 0.000 -5.345) 6.847 19.654 ( -5.530 0.000 19.739) 20.499 20.011 ( 5.033 0.000 -17.142) 17.865 ======================= Grid point 334 (157/215) ======================= q-point: ( 0.08 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 1.964 0.000 -26.530) 26.603 2.278 ( 2.762 0.000 20.410) 20.597 2.317 ( 1.785 0.000 -23.108) 23.177 2.422 ( 2.187 0.000 26.041) 26.132 2.845 ( -5.100 0.000 -7.706) 9.241 3.070 ( 6.131 0.000 8.712) 10.653 3.470 ( 8.966 0.000 -34.945) 36.077 3.485 ( -0.202 0.000 7.293) 7.295 3.569 ( -4.679 0.000 6.248) 7.806 3.802 ( -1.021 0.000 -2.362) 2.573 3.856 ( 1.386 0.000 -4.200) 4.423 3.860 ( 13.400 0.000 26.290) 29.508 4.608 ( -1.785 0.000 -6.703) 6.937 4.747 ( 4.337 0.000 1.701) 4.659 4.873 ( -4.220 0.000 7.153) 8.305 4.954 ( 2.513 0.000 -1.491) 2.922 5.277 ( -11.486 0.000 6.442) 13.169 5.520 ( 0.067 0.000 -6.936) 6.936 5.618 ( -6.336 0.000 1.798) 6.586 5.728 ( -2.530 0.000 -3.670) 4.458 6.099 ( -0.405 0.000 -3.270) 3.294 6.181 ( -1.360 0.000 3.150) 3.431 6.404 ( -0.346 0.000 -0.444) 0.562 6.463 ( -8.759 0.000 2.164) 9.022 6.949 ( 3.972 0.000 -0.578) 4.013 6.974 ( -2.250 0.000 3.579) 4.227 7.172 ( -9.971 0.000 -4.165) 10.806 7.384 ( 2.409 0.000 0.586) 2.479 7.605 ( 2.218 0.000 -2.619) 3.431 7.606 ( 3.412 0.000 2.800) 4.414 9.181 ( -2.763 0.000 -4.406) 5.201 9.235 ( -0.757 0.000 -6.514) 6.558 9.303 ( -0.719 0.000 5.390) 5.438 9.408 ( 5.695 0.000 2.010) 6.039 9.666 ( 2.577 0.000 0.970) 2.753 9.751 ( 3.480 0.000 -1.947) 3.988 9.994 ( 0.651 0.000 2.891) 2.963 10.028 ( 2.106 0.000 -1.954) 2.873 10.156 ( -1.124 0.000 1.489) 1.866 10.185 ( 2.085 0.000 -2.601) 3.334 10.616 ( 0.369 0.000 28.529) 28.531 10.781 ( 14.172 0.000 -27.305) 30.764 11.613 ( -3.194 0.000 1.263) 3.435 11.621 ( -0.818 0.000 -0.768) 1.122 11.957 ( -2.315 0.000 8.182) 8.503 11.971 ( 4.886 0.000 0.122) 4.888 12.097 ( 3.245 0.000 -7.485) 8.158 12.131 ( 1.440 0.000 3.094) 3.413 12.535 ( -10.662 0.000 8.238) 13.474 12.653 ( -6.726 0.000 -11.488) 13.312 12.841 ( 8.911 0.000 -16.969) 19.167 12.901 ( 3.907 0.000 18.372) 18.783 16.396 ( -0.209 0.000 3.042) 3.049 16.417 ( 1.631 0.000 -3.278) 3.661 17.491 ( -8.364 0.000 -0.199) 8.367 17.627 ( -2.534 0.000 4.478) 5.145 17.643 ( -4.848 0.000 1.900) 5.207 17.719 ( 0.471 0.000 -6.405) 6.422 19.816 ( -0.789 0.000 18.833) 18.849 19.908 ( 6.450 0.000 -18.363) 19.462 ======================= Grid point 335 (158/215) ======================= q-point: ( 0.17 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.114 0.000 -29.629) 29.914 2.046 ( 5.979 0.000 -27.537) 28.179 2.638 ( 5.427 0.000 23.698) 24.312 2.672 ( 1.437 0.000 6.237) 6.401 2.776 ( 0.441 0.000 9.554) 9.564 3.248 ( 3.657 0.000 8.460) 9.217 3.381 ( 24.584 0.000 -28.790) 37.858 3.460 ( -3.321 0.000 -1.302) 3.567 3.581 ( -5.225 0.000 7.198) 8.894 3.735 ( 0.399 0.000 -7.158) 7.169 3.812 ( -0.842 0.000 -3.916) 4.005 4.334 ( 4.874 0.000 11.989) 12.942 4.558 ( 5.167 0.000 4.747) 7.016 4.773 ( -0.219 0.000 -0.410) 0.465 4.904 ( -8.458 0.000 12.313) 14.938 5.002 ( 4.867 0.000 -0.762) 4.927 5.197 ( -3.580 0.000 3.353) 4.905 5.393 ( -6.762 0.000 -3.150) 7.460 5.554 ( -5.482 0.000 2.300) 5.945 5.575 ( -8.149 0.000 -8.184) 11.549 6.075 ( 0.842 0.000 -2.381) 2.526 6.086 ( -10.929 0.000 2.374) 11.184 6.321 ( -11.014 0.000 3.849) 11.668 6.468 ( 4.716 0.000 -0.555) 4.749 6.944 ( -3.335 0.000 2.224) 4.009 6.947 ( -5.129 0.000 -6.532) 8.306 7.052 ( 3.164 0.000 0.188) 3.170 7.459 ( 4.806 0.000 2.346) 5.348 7.608 ( 1.937 0.000 -2.604) 3.245 7.706 ( 5.642 0.000 2.088) 6.016 9.077 ( -2.639 0.000 -5.535) 6.132 9.105 ( -1.701 0.000 -8.913) 9.074 9.390 ( 0.908 0.000 7.289) 7.345 9.515 ( 4.937 0.000 0.452) 4.957 9.706 ( -4.043 0.000 -1.723) 4.395 9.728 ( 2.814 0.000 0.772) 2.919 10.031 ( 0.111 0.000 -1.685) 1.688 10.038 ( -1.127 0.000 2.091) 2.375 10.140 ( 0.526 0.000 -2.825) 2.873 10.228 ( 6.730 0.000 -2.486) 7.175 10.759 ( 17.871 0.000 -22.332) 28.602 10.984 ( 6.721 0.000 24.716) 25.614 11.606 ( 0.523 0.000 2.079) 2.143 11.634 ( 2.801 0.000 -0.304) 2.817 11.924 ( -9.315 0.000 4.007) 10.141 11.943 ( -1.484 0.000 -7.794) 7.934 12.139 ( 6.773 0.000 -1.900) 7.034 12.288 ( 7.857 0.000 8.073) 11.266 12.394 ( -5.613 0.000 -13.383) 14.512 12.445 ( -11.550 0.000 8.170) 14.147 12.851 ( 8.552 0.000 -8.185) 11.837 13.148 ( 0.199 0.000 18.941) 18.942 16.404 ( 2.183 0.000 -4.771) 5.247 16.425 ( 0.640 0.000 1.533) 1.661 17.355 ( -8.035 0.000 -0.966) 8.093 17.527 ( -7.565 0.000 -4.910) 9.019 17.606 ( -5.294 0.000 7.663) 9.314 17.680 ( -3.333 0.000 2.514) 4.175 19.798 ( 6.186 0.000 -19.383) 20.346 20.030 ( 2.370 0.000 15.181) 15.365 ======================= Grid point 336 (159/215) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 16.823 0.000 -15.978) 23.201 1.916 ( 13.096 0.000 -22.174) 25.753 2.704 ( 2.131 0.000 0.124) 2.135 2.949 ( 0.953 0.000 21.603) 21.624 2.957 ( 1.089 0.000 13.410) 13.454 3.359 ( -6.384 0.000 5.222) 8.248 3.373 ( 0.629 0.000 0.046) 0.630 3.516 ( 16.635 0.000 -19.624) 25.726 3.552 ( 3.347 0.000 -0.320) 3.362 3.695 ( 5.704 0.000 -7.727) 9.605 3.771 ( -1.069 0.000 0.829) 1.353 4.294 ( -2.408 0.000 -6.954) 7.359 4.756 ( -2.190 0.000 0.348) 2.217 4.777 ( 1.116 0.000 7.983) 8.061 4.879 ( -7.906 0.000 10.468) 13.118 5.067 ( 5.025 0.000 -4.384) 6.668 5.237 ( 3.194 0.000 0.980) 3.341 5.305 ( -0.687 0.000 2.738) 2.823 5.328 ( -7.954 0.000 -9.652) 12.507 5.500 ( -6.673 0.000 5.985) 8.964 5.926 ( -12.221 0.000 2.162) 12.411 6.043 ( -1.222 0.000 -4.602) 4.761 6.240 ( -3.570 0.000 3.512) 5.007 6.491 ( -0.752 0.000 -0.066) 0.755 6.819 ( -4.917 0.000 -0.717) 4.969 6.960 ( 1.559 0.000 2.272) 2.755 7.097 ( 2.400 0.000 -1.795) 2.997 7.552 ( 3.771 0.000 0.275) 3.781 7.615 ( 3.017 0.000 -2.722) 4.064 7.820 ( 6.141 0.000 0.731) 6.185 8.994 ( -1.866 0.000 -2.169) 2.861 9.026 ( 1.610 0.000 -4.121) 4.425 9.474 ( -0.702 0.000 6.676) 6.713 9.570 ( 4.950 0.000 -3.971) 6.346 9.614 ( -7.259 0.000 1.365) 7.387 9.751 ( -1.611 0.000 0.706) 1.759 9.979 ( -4.161 0.000 0.213) 4.166 10.030 ( -2.325 0.000 2.889) 3.708 10.138 ( 7.991 0.000 -9.675) 12.548 10.300 ( 5.737 0.000 -3.193) 6.566 10.842 ( 19.175 0.000 -16.300) 25.167 11.318 ( 5.631 0.000 14.721) 15.761 11.652 ( 0.478 0.000 -0.335) 0.584 11.663 ( 2.106 0.000 -3.083) 3.734 11.807 ( -9.724 0.000 3.308) 10.272 11.820 ( -0.287 0.000 -6.304) 6.310 12.132 ( -0.541 0.000 -7.933) 7.951 12.302 ( 3.551 0.000 1.029) 3.697 12.337 ( -10.685 0.000 6.387) 12.449 12.516 ( 7.028 0.000 8.044) 10.681 12.920 ( 8.795 0.000 -4.740) 9.991 13.313 ( -4.344 0.000 15.875) 16.458 16.379 ( 2.399 0.000 -5.989) 6.451 16.450 ( 1.448 0.000 -0.182) 1.459 17.215 ( -8.001 0.000 -0.861) 8.047 17.369 ( -6.409 0.000 -1.474) 6.576 17.648 ( -5.066 0.000 4.676) 6.894 17.672 ( -2.668 0.000 15.648) 15.874 19.676 ( 6.613 0.000 -20.534) 21.572 20.179 ( -0.548 0.000 7.137) 7.158 ======================= Grid point 337 (160/215) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 18.520 0.000 -13.837) 23.118 2.070 ( 25.106 0.000 1.868) 25.175 2.740 ( 0.008 0.000 2.244) 2.244 3.069 ( -1.887 0.000 6.634) 6.897 3.131 ( -6.048 0.000 17.497) 18.513 3.248 ( -6.957 0.000 2.239) 7.309 3.415 ( -0.914 0.000 1.249) 1.548 3.416 ( -7.491 0.000 1.895) 7.727 3.696 ( 17.430 0.000 -15.560) 23.365 3.735 ( 7.604 0.000 -5.393) 9.323 3.796 ( -0.017 0.000 3.781) 3.781 4.200 ( 0.684 0.000 -5.963) 6.002 4.693 ( -8.687 0.000 -8.191) 11.939 4.694 ( -4.812 0.000 -2.169) 5.278 4.945 ( 3.647 0.000 7.970) 8.765 5.109 ( 3.766 0.000 0.877) 3.867 5.122 ( -1.794 0.000 -7.654) 7.861 5.328 ( 4.352 0.000 0.766) 4.419 5.378 ( -1.009 0.000 4.348) 4.464 5.500 ( 0.762 0.000 4.943) 5.001 5.758 ( -10.664 0.000 1.045) 10.715 5.926 ( -4.243 0.000 -7.537) 8.649 6.292 ( 4.284 0.000 3.749) 5.693 6.467 ( -3.669 0.000 2.472) 4.424 6.748 ( -6.540 0.000 2.716) 7.082 7.007 ( 1.906 0.000 0.044) 1.907 7.091 ( -0.052 0.000 -1.736) 1.737 7.552 ( -1.400 0.000 -4.227) 4.453 7.649 ( 4.553 0.000 -2.012) 4.978 7.896 ( 3.978 0.000 -2.370) 4.630 8.977 ( -1.019 0.000 3.029) 3.196 9.070 ( 4.932 0.000 1.997) 5.321 9.501 ( -4.239 0.000 4.456) 6.150 9.519 ( -6.424 0.000 2.323) 6.831 9.601 ( 6.006 0.000 -5.773) 8.330 9.687 ( -7.101 0.000 2.318) 7.469 9.959 ( 2.969 0.000 -1.926) 3.539 10.038 ( -0.895 0.000 3.085) 3.212 10.168 ( 8.861 0.000 -9.192) 12.767 10.335 ( 2.335 0.000 -2.243) 3.237 10.982 ( 17.967 0.000 -12.422) 21.843 11.411 ( -5.487 0.000 1.825) 5.783 11.523 ( -7.051 0.000 -7.277) 10.133 11.614 ( -3.857 0.000 -6.483) 7.544 11.734 ( -1.582 0.000 3.773) 4.091 11.885 ( 8.556 0.000 -0.151) 8.557 12.139 ( 6.998 0.000 1.970) 7.270 12.239 ( -10.556 0.000 7.035) 12.686 12.379 ( 1.919 0.000 3.051) 3.604 12.688 ( 5.312 0.000 4.557) 6.999 13.012 ( 8.674 0.000 -3.864) 9.496 13.358 ( -8.953 0.000 11.168) 14.314 16.353 ( 2.680 0.000 -5.490) 6.109 16.460 ( 1.296 0.000 -2.273) 2.616 17.096 ( -6.207 0.000 0.350) 6.217 17.284 ( -6.171 0.000 2.136) 6.530 17.666 ( -1.076 0.000 9.586) 9.646 17.851 ( -1.990 0.000 21.483) 21.575 19.563 ( 8.924 0.000 -20.899) 22.725 20.153 ( -6.034 0.000 -2.320) 6.465 ======================= Grid point 338 (161/215) ======================= q-point: ( 0.42 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 19.906 0.000 -6.036) 20.801 2.535 ( 20.185 0.000 9.528) 22.321 2.716 ( -3.950 0.000 -0.695) 4.010 3.069 ( -2.312 0.000 4.338) 4.916 3.103 ( -12.844 0.000 9.327) 15.873 3.274 ( -1.067 0.000 9.794) 9.852 3.365 ( -3.227 0.000 -3.786) 4.974 3.390 ( -4.137 0.000 9.593) 10.447 3.730 ( 8.585 0.000 -14.164) 16.562 3.791 ( 6.254 0.000 -4.821) 7.896 3.826 ( -1.773 0.000 3.739) 4.139 4.177 ( 0.879 0.000 -4.240) 4.330 4.430 ( -5.724 0.000 -12.897) 14.110 4.557 ( -7.999 0.000 -3.219) 8.623 5.061 ( 2.130 0.000 0.743) 2.255 5.166 ( 1.038 0.000 0.730) 1.269 5.191 ( 14.046 0.000 2.487) 14.265 5.357 ( -5.944 0.000 5.320) 7.977 5.405 ( 6.399 0.000 -1.791) 6.645 5.586 ( 1.985 0.000 1.368) 2.411 5.628 ( -6.581 0.000 0.915) 6.645 5.770 ( -4.189 0.000 -7.043) 8.195 6.413 ( 6.419 0.000 -0.632) 6.450 6.431 ( -5.309 0.000 3.818) 6.540 6.680 ( -6.808 0.000 7.578) 10.187 7.005 ( 0.808 0.000 -4.448) 4.521 7.089 ( 2.053 0.000 0.140) 2.058 7.426 ( -6.704 0.000 -5.519) 8.683 7.705 ( 4.047 0.000 -0.809) 4.127 7.884 ( 0.084 0.000 -5.264) 5.265 9.022 ( 0.835 0.000 5.347) 5.412 9.178 ( 2.288 0.000 3.488) 4.171 9.454 ( -2.167 0.000 -0.183) 2.175 9.475 ( -3.540 0.000 3.121) 4.719 9.623 ( -6.088 0.000 4.663) 7.668 9.630 ( 5.954 0.000 -5.873) 8.363 10.017 ( 5.282 0.000 0.381) 5.296 10.069 ( 0.915 0.000 2.206) 2.389 10.201 ( 6.189 0.000 -7.237) 9.522 10.316 ( -2.098 0.000 -1.975) 2.882 11.122 ( 15.197 0.000 -9.849) 18.110 11.293 ( -7.989 0.000 -0.316) 7.995 11.348 ( -4.303 0.000 -6.247) 7.586 11.428 ( -10.747 0.000 -3.863) 11.421 11.790 ( 5.312 0.000 -0.550) 5.340 11.973 ( 1.455 0.000 -2.323) 2.741 12.203 ( -2.464 0.000 8.038) 8.408 12.339 ( 8.375 0.000 5.929) 10.261 12.425 ( 0.484 0.000 4.290) 4.317 12.776 ( 2.060 0.000 0.262) 2.077 13.109 ( 9.049 0.000 -3.676) 9.768 13.284 ( -12.659 0.000 6.990) 14.461 16.347 ( 2.667 0.000 -3.263) 4.215 16.438 ( -0.049 0.000 -3.444) 3.444 17.039 ( -2.035 0.000 1.623) 2.603 17.195 ( -6.282 0.000 0.149) 6.284 17.836 ( 4.499 0.000 14.507) 15.189 18.043 ( -4.709 0.000 20.382) 20.919 19.517 ( 12.870 0.000 -17.240) 21.513 19.949 ( -11.329 0.000 -8.537) 14.185 ======================= Grid point 339 (162/215) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 17.255 0.000 -0.683) 17.268 2.451 ( -17.745 0.000 -2.315) 17.895 2.965 ( -18.445 0.000 8.545) 20.328 2.984 ( 14.454 0.000 8.200) 16.619 3.133 ( 2.293 0.000 4.086) 4.685 3.251 ( -3.208 0.000 -6.213) 6.992 3.385 ( 3.045 0.000 6.977) 7.613 3.484 ( 4.292 0.000 5.669) 7.111 3.700 ( 3.690 0.000 -6.446) 7.428 3.804 ( 1.808 0.000 -8.000) 8.201 3.840 ( -0.678 0.000 5.442) 5.484 4.007 ( -5.283 0.000 -11.805) 12.933 4.379 ( 6.563 0.000 -1.377) 6.706 4.389 ( -8.962 0.000 -2.025) 9.188 5.118 ( 2.791 0.000 1.678) 3.257 5.140 ( -3.824 0.000 -0.765) 3.900 5.337 ( -4.288 0.000 4.794) 6.432 5.400 ( 7.541 0.000 -0.800) 7.583 5.518 ( 10.020 0.000 -1.095) 10.080 5.520 ( -10.595 0.000 -1.089) 10.651 5.587 ( -0.317 0.000 2.593) 2.612 5.663 ( -0.155 0.000 -4.965) 4.967 6.386 ( -5.270 0.000 3.796) 6.494 6.464 ( 5.005 0.000 -2.826) 5.748 6.743 ( 0.391 0.000 9.528) 9.536 6.941 ( 1.333 0.000 -9.267) 9.363 7.179 ( 6.417 0.000 3.805) 7.460 7.244 ( -9.058 0.000 -3.518) 9.717 7.752 ( 1.977 0.000 0.792) 2.130 7.804 ( -2.438 0.000 -4.534) 5.147 9.123 ( 4.731 0.000 4.213) 6.335 9.175 ( -2.882 0.000 -1.045) 3.065 9.441 ( -4.951 0.000 2.186) 5.412 9.477 ( 4.070 0.000 -0.654) 4.122 9.579 ( -5.698 0.000 3.955) 6.936 9.671 ( 6.758 0.000 -4.838) 8.311 10.103 ( -0.506 0.000 2.296) 2.351 10.120 ( 3.179 0.000 3.102) 4.442 10.198 ( 3.064 0.000 -4.174) 5.178 10.223 ( -5.570 0.000 -3.318) 6.483 11.166 ( -10.809 0.000 0.357) 10.815 11.235 ( 8.984 0.000 -6.745) 11.234 11.239 ( -6.924 0.000 1.108) 7.012 11.284 ( 5.115 0.000 -3.187) 6.027 11.880 ( 5.499 0.000 0.416) 5.515 11.900 ( -5.708 0.000 -1.755) 5.972 12.303 ( 3.490 0.000 4.758) 5.901 12.372 ( -1.091 0.000 -2.359) 2.599 12.603 ( 6.113 0.000 8.857) 10.762 12.748 ( -2.022 0.000 -5.823) 6.164 13.137 ( -13.892 0.000 6.091) 15.169 13.227 ( 10.662 0.000 -2.967) 11.067 16.363 ( 1.871 0.000 -0.594) 1.963 16.386 ( -1.859 0.000 -2.858) 3.410 17.071 ( 3.357 0.000 2.134) 3.978 17.108 ( -2.991 0.000 -1.658) 3.420 18.089 ( 7.730 0.000 11.531) 13.882 18.118 ( -7.296 0.000 9.578) 12.041 19.605 ( 15.158 0.000 -7.003) 16.697 19.628 ( -16.136 0.000 -8.535) 18.255 ======================= Grid point 341 (163/215) ======================= q-point: (-0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -22.612 0.000 0.101) 22.613 2.657 ( -15.485 0.000 5.644) 16.481 2.685 ( 1.008 0.000 -4.042) 4.165 3.146 ( -2.534 0.000 -3.627) 4.424 3.185 ( 1.079 0.000 1.211) 1.622 3.234 ( 7.062 0.000 7.652) 10.413 3.512 ( 5.442 0.000 2.006) 5.800 3.546 ( 10.642 0.000 -16.099) 19.298 3.598 ( -11.743 0.000 -7.600) 13.988 3.697 ( -4.289 0.000 4.888) 6.502 3.927 ( 3.967 0.000 -6.502) 7.617 4.040 ( 10.180 0.000 13.008) 16.517 4.244 ( -7.977 0.000 2.981) 8.516 4.503 ( 7.236 0.000 2.326) 7.601 5.055 ( -5.633 0.000 0.325) 5.642 5.164 ( 0.408 0.000 1.216) 1.283 5.248 ( -11.543 0.000 -2.174) 11.746 5.355 ( -5.110 0.000 2.330) 5.617 5.446 ( 3.601 0.000 -4.483) 5.750 5.605 ( 0.958 0.000 -0.178) 0.974 5.667 ( 5.784 0.000 -2.537) 6.316 5.675 ( 5.769 0.000 3.259) 6.626 6.360 ( -3.507 0.000 3.472) 4.935 6.527 ( 6.921 0.000 -4.336) 8.167 6.852 ( -0.060 0.000 8.965) 8.965 6.860 ( 3.114 0.000 -10.757) 11.199 7.097 ( -5.684 0.000 -0.088) 5.685 7.348 ( 7.842 0.000 4.270) 8.930 7.718 ( -3.675 0.000 -2.308) 4.340 7.791 ( -0.054 0.000 3.618) 3.618 9.113 ( -1.136 0.000 -3.818) 3.984 9.208 ( -0.808 0.000 -0.004) 0.808 9.416 ( 2.068 0.000 2.796) 3.478 9.514 ( -1.403 0.000 2.187) 2.598 9.541 ( -0.916 0.000 -0.060) 0.918 9.723 ( 5.822 0.000 -4.576) 7.405 10.054 ( -6.846 0.000 -2.221) 7.197 10.105 ( -1.721 0.000 -2.790) 3.278 10.115 ( -4.687 0.000 1.297) 4.863 10.279 ( 3.884 0.000 3.553) 5.264 10.964 ( -16.857 0.000 5.479) 17.725 11.251 ( 3.046 0.000 3.916) 4.961 11.290 ( 5.584 0.000 -0.892) 5.655 11.405 ( 10.211 0.000 -1.321) 10.296 11.789 ( -5.533 0.000 -1.095) 5.640 11.939 ( -0.734 0.000 1.439) 1.615 12.335 ( 3.347 0.000 -5.415) 6.366 12.372 ( -0.230 0.000 1.033) 1.058 12.589 ( -4.866 0.000 -10.576) 11.642 12.738 ( 1.573 0.000 3.996) 4.294 13.005 ( -11.936 0.000 7.238) 13.959 13.380 ( 12.212 0.000 -2.749) 12.518 16.323 ( -3.177 0.000 -0.816) 3.280 16.389 ( 0.817 0.000 1.339) 1.569 17.075 ( 1.669 0.000 -2.146) 2.719 17.181 ( 7.409 0.000 1.476) 7.555 18.037 ( -6.374 0.000 -3.357) 7.204 18.291 ( 8.762 0.000 -1.586) 8.904 19.294 ( -19.069 0.000 2.061) 19.180 19.817 ( 13.301 0.000 2.905) 13.615 ======================= Grid point 342 (164/215) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -24.093 0.000 6.488) 24.951 2.177 ( -30.405 0.000 -6.225) 31.035 2.778 ( 1.339 0.000 -1.386) 1.927 3.120 ( 1.641 0.000 0.625) 1.756 3.219 ( 0.579 0.000 3.059) 3.113 3.308 ( -23.709 0.000 6.760) 24.654 3.390 ( 6.868 0.000 -0.182) 6.871 3.506 ( 6.243 0.000 -13.839) 15.182 3.593 ( 3.041 0.000 -0.990) 3.198 3.665 ( -5.099 0.000 1.218) 5.243 3.907 ( 2.919 0.000 -7.579) 8.121 4.115 ( -2.395 0.000 2.390) 3.383 4.452 ( 10.958 0.000 16.237) 19.589 4.645 ( 7.163 0.000 2.419) 7.560 5.000 ( -3.619 0.000 4.779) 5.995 5.090 ( -0.403 0.000 -6.262) 6.275 5.149 ( -1.779 0.000 -2.231) 2.853 5.323 ( -2.499 0.000 1.032) 2.704 5.410 ( -5.165 0.000 -0.149) 5.167 5.599 ( 4.130 0.000 -4.678) 6.240 5.779 ( 10.221 0.000 -0.881) 10.259 5.821 ( 7.418 0.000 3.263) 8.104 6.320 ( -4.404 0.000 0.489) 4.431 6.566 ( 5.438 0.000 -6.604) 8.555 6.819 ( 2.928 0.000 -5.114) 5.893 6.930 ( -2.050 0.000 7.443) 7.720 7.066 ( -0.128 0.000 1.184) 1.191 7.491 ( 5.016 0.000 2.148) 5.457 7.635 ( -4.477 0.000 -0.710) 4.533 7.826 ( -1.929 0.000 4.690) 5.071 9.050 ( -1.490 0.000 -3.988) 4.257 9.106 ( -7.878 0.000 -1.415) 8.004 9.490 ( -5.379 0.000 4.364) 6.927 9.534 ( 6.045 0.000 -0.333) 6.055 9.563 ( 4.980 0.000 -1.650) 5.247 9.755 ( 4.707 0.000 -2.457) 5.310 9.940 ( -2.812 0.000 -1.755) 3.314 10.049 ( -7.150 0.000 3.625) 8.017 10.062 ( -0.720 0.000 -0.929) 1.175 10.341 ( 0.899 0.000 -0.136) 0.910 10.762 ( -19.300 0.000 9.698) 21.600 11.394 ( 7.242 0.000 5.896) 9.338 11.395 ( 5.658 0.000 3.054) 6.430 11.531 ( 4.241 0.000 0.579) 4.281 11.739 ( 0.983 0.000 1.407) 1.716 11.877 ( -7.498 0.000 0.646) 7.526 12.251 ( -9.171 0.000 -7.118) 11.609 12.376 ( 9.441 0.000 -6.399) 11.406 12.458 ( -0.436 0.000 -5.737) 5.754 12.746 ( -1.983 0.000 -1.472) 2.470 12.911 ( -10.262 0.000 7.013) 12.429 13.527 ( 11.316 0.000 -5.772) 12.703 16.277 ( -3.244 0.000 2.096) 3.862 16.415 ( 0.040 0.000 2.006) 2.006 17.113 ( 5.368 0.000 -1.447) 5.560 17.314 ( 7.685 0.000 -0.584) 7.707 17.878 ( -2.736 0.000 -10.205) 10.565 18.264 ( 2.540 0.000 -19.791) 19.954 19.152 ( -13.668 0.000 20.260) 24.439 20.057 ( 9.552 0.000 6.139) 11.354 ======================= Grid point 343 (165/215) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -21.043 0.000 16.959) 27.026 1.639 ( -29.707 0.000 0.331) 29.708 2.727 ( -4.151 0.000 -1.572) 4.438 2.985 ( -33.794 0.000 19.282) 38.909 3.163 ( -0.457 0.000 1.410) 1.482 3.226 ( -4.741 0.000 -1.821) 5.079 3.422 ( 7.635 0.000 -11.642) 13.922 3.482 ( 3.250 0.000 -4.196) 5.308 3.572 ( -7.038 0.000 3.599) 7.905 3.620 ( 4.184 0.000 -2.377) 4.812 3.855 ( 1.999 0.000 -8.060) 8.304 4.179 ( 4.501 0.000 4.611) 6.443 4.760 ( 7.740 0.000 9.808) 12.494 4.765 ( 5.828 0.000 -0.865) 5.892 5.064 ( -3.061 0.000 -4.995) 5.859 5.066 ( 6.939 0.000 -3.299) 7.683 5.102 ( 5.564 0.000 5.469) 7.802 5.293 ( -0.542 0.000 -1.397) 1.498 5.320 ( -5.655 0.000 1.541) 5.861 5.626 ( 6.180 0.000 -6.555) 9.009 5.954 ( 12.196 0.000 -0.645) 12.213 5.964 ( 5.253 0.000 2.963) 6.031 6.278 ( 1.074 0.000 -0.432) 1.158 6.554 ( 2.081 0.000 -6.146) 6.489 6.822 ( 1.187 0.000 -0.882) 1.478 6.948 ( -3.087 0.000 3.666) 4.792 7.073 ( -1.357 0.000 0.814) 1.582 7.545 ( 0.040 0.000 0.175) 0.180 7.574 ( -3.253 0.000 1.316) 3.509 7.817 ( -3.770 0.000 1.401) 4.022 8.985 ( -5.547 0.000 0.527) 5.572 8.987 ( -1.965 0.000 -1.178) 2.291 9.458 ( -5.348 0.000 5.745) 7.849 9.530 ( -4.155 0.000 -0.138) 4.158 9.653 ( 7.555 0.000 -1.660) 7.736 9.813 ( 3.719 0.000 -4.872) 6.129 9.961 ( 5.024 0.000 1.683) 5.299 9.987 ( -5.198 0.000 5.467) 7.543 10.059 ( 0.534 0.000 0.311) 0.618 10.302 ( -3.021 0.000 -3.239) 4.429 10.568 ( -20.111 0.000 11.900) 23.368 11.480 ( 1.216 0.000 -2.999) 3.236 11.573 ( 0.041 0.000 5.888) 5.888 11.579 ( 6.124 0.000 5.980) 8.559 11.763 ( -5.923 0.000 0.629) 5.957 11.840 ( 7.056 0.000 0.942) 7.119 12.057 ( -5.252 0.000 -2.052) 5.639 12.373 ( -3.041 0.000 -5.484) 6.271 12.454 ( 6.888 0.000 -5.074) 8.555 12.664 ( -0.728 0.000 -7.334) 7.370 12.829 ( -9.056 0.000 5.683) 10.692 13.588 ( 8.252 0.000 -11.801) 14.400 16.270 ( -2.464 0.000 4.745) 5.347 16.432 ( -0.306 0.000 1.410) 1.443 17.205 ( 7.051 0.000 -0.053) 7.051 17.386 ( 3.875 0.000 -2.662) 4.701 17.771 ( 3.058 0.000 -8.200) 8.751 18.017 ( -2.537 0.000 -19.818) 19.980 19.249 ( -7.279 0.000 23.481) 24.583 20.228 ( 5.480 0.000 1.907) 5.803 ======================= Grid point 344 (166/215) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -15.328 0.000 22.699) 27.390 1.508 ( -12.681 0.000 27.668) 30.436 2.651 ( -5.586 0.000 3.476) 6.579 2.706 ( -32.451 0.000 28.435) 43.147 3.000 ( -10.229 0.000 -12.622) 16.247 3.118 ( -0.347 0.000 -8.386) 8.393 3.386 ( -2.123 0.000 -5.644) 6.030 3.474 ( 0.041 0.000 -1.204) 1.205 3.612 ( 6.972 0.000 2.321) 7.348 3.688 ( 5.472 0.000 -0.094) 5.473 3.802 ( 1.691 0.000 -6.673) 6.884 4.316 ( 5.579 0.000 4.427) 7.122 4.794 ( 0.534 0.000 -2.552) 2.607 4.827 ( -2.317 0.000 -10.710) 10.958 4.966 ( -3.955 0.000 -0.090) 3.956 5.107 ( 3.948 0.000 -7.525) 8.498 5.268 ( 9.568 0.000 -2.641) 9.926 5.310 ( 0.086 0.000 5.292) 5.293 5.394 ( 11.061 0.000 8.818) 14.146 5.642 ( 5.318 0.000 -6.203) 8.171 6.027 ( -0.454 0.000 2.167) 2.214 6.127 ( 10.463 0.000 -1.482) 10.567 6.369 ( 9.697 0.000 -0.709) 9.723 6.494 ( -2.618 0.000 -3.665) 4.504 6.847 ( 0.871 0.000 3.316) 3.429 6.945 ( 0.038 0.000 1.930) 1.930 7.047 ( -1.844 0.000 0.815) 2.016 7.499 ( -4.150 0.000 -2.066) 4.636 7.559 ( -1.771 0.000 2.512) 3.074 7.743 ( -4.526 0.000 -1.700) 4.835 8.969 ( -0.215 0.000 5.111) 5.116 8.986 ( 0.289 0.000 3.727) 3.739 9.450 ( -4.182 0.000 5.788) 7.141 9.453 ( -5.636 0.000 1.098) 5.742 9.724 ( 3.430 0.000 -2.535) 4.265 9.763 ( -3.227 0.000 -3.148) 4.508 9.970 ( -0.910 0.000 3.092) 3.223 10.073 ( 0.818 0.000 -0.388) 0.905 10.103 ( 5.383 0.000 2.723) 6.033 10.200 ( -5.544 0.000 -1.125) 5.657 10.402 ( -18.116 0.000 13.461) 22.570 11.366 ( -2.351 0.000 -14.099) 14.294 11.616 ( -1.051 0.000 1.845) 2.123 11.631 ( -1.279 0.000 -0.419) 1.346 11.798 ( 2.673 0.000 6.894) 7.394 11.926 ( 2.903 0.000 1.571) 3.301 12.104 ( 3.791 0.000 7.815) 8.686 12.248 ( -4.987 0.000 -3.590) 6.145 12.407 ( -5.892 0.000 -4.553) 7.446 12.639 ( 10.586 0.000 -10.887) 15.185 12.751 ( -7.100 0.000 3.690) 8.002 13.518 ( 4.162 0.000 -18.368) 18.834 16.297 ( -1.882 0.000 5.804) 6.101 16.437 ( -0.108 0.000 0.169) 0.201 17.326 ( 6.811 0.000 1.468) 6.968 17.438 ( 4.555 0.000 2.695) 5.293 17.764 ( 3.844 0.000 -5.407) 6.634 17.807 ( -0.151 0.000 -12.551) 12.551 19.400 ( -6.087 0.000 21.676) 22.515 20.253 ( 1.436 0.000 -7.434) 7.571 ======================= Grid point 345 (167/215) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.248 0.000 32.873) 32.874 1.722 ( -3.888 0.000 32.572) 32.803 2.632 ( -13.823 0.000 26.900) 30.244 2.692 ( -1.653 0.000 14.025) 14.123 2.692 ( -7.046 0.000 -16.249) 17.711 2.974 ( -1.591 0.000 -12.798) 12.897 3.240 ( -5.494 0.000 -8.614) 10.216 3.479 ( -0.630 0.000 2.903) 2.970 3.741 ( 4.450 0.000 -10.122) 11.057 3.756 ( 7.757 0.000 0.093) 7.757 3.777 ( 0.190 0.000 4.034) 4.038 4.438 ( 4.882 0.000 -10.946) 11.986 4.500 ( -10.028 0.000 -11.962) 15.609 4.751 ( -2.995 0.000 -0.530) 3.042 4.927 ( -3.150 0.000 1.539) 3.506 5.039 ( 0.094 0.000 -7.816) 7.817 5.379 ( -2.908 0.000 7.928) 8.444 5.409 ( 13.437 0.000 -6.698) 15.014 5.647 ( 7.529 0.000 4.591) 8.818 5.680 ( 7.478 0.000 -4.725) 8.846 6.034 ( -1.375 0.000 3.227) 3.508 6.232 ( 3.481 0.000 -2.112) 4.072 6.418 ( -0.271 0.000 -1.851) 1.871 6.494 ( 5.412 0.000 -1.202) 5.544 6.893 ( -1.996 0.000 4.709) 5.114 6.993 ( 1.398 0.000 1.384) 1.967 7.109 ( 8.558 0.000 2.866) 9.025 7.398 ( -4.463 0.000 -1.272) 4.641 7.559 ( -1.868 0.000 2.353) 3.004 7.661 ( -2.388 0.000 -2.899) 3.756 9.070 ( 2.450 0.000 6.617) 7.056 9.077 ( 3.582 0.000 7.876) 8.652 9.386 ( -2.788 0.000 -0.543) 2.841 9.425 ( -4.565 0.000 1.169) 4.712 9.667 ( -5.433 0.000 0.049) 5.434 9.708 ( -3.174 0.000 0.813) 3.276 10.006 ( 2.254 0.000 0.144) 2.259 10.054 ( -1.666 0.000 -1.868) 2.503 10.142 ( -1.303 0.000 1.053) 1.675 10.179 ( 1.119 0.000 2.090) 2.370 10.310 ( -14.597 0.000 17.516) 22.801 11.133 ( 1.130 0.000 -23.742) 23.769 11.611 ( 0.050 0.000 0.354) 0.358 11.630 ( 2.020 0.000 -0.542) 2.091 11.885 ( -1.803 0.000 6.245) 6.500 11.961 ( -5.536 0.000 5.767) 7.994 12.107 ( 1.818 0.000 -6.855) 7.093 12.249 ( -4.283 0.000 -6.575) 7.847 12.334 ( 1.608 0.000 17.577) 17.651 12.694 ( -4.185 0.000 2.033) 4.653 12.699 ( 10.115 0.000 -9.178) 13.659 13.319 ( 0.464 0.000 -23.236) 23.241 16.332 ( -1.613 0.000 5.321) 5.560 16.435 ( 0.359 0.000 -0.994) 1.057 17.449 ( 5.573 0.000 2.940) 6.301 17.574 ( 3.775 0.000 6.359) 7.396 17.737 ( 3.969 0.000 -6.574) 7.679 17.738 ( -0.106 0.000 -4.958) 4.960 19.532 ( -6.661 0.000 20.333) 21.396 20.139 ( 1.315 0.000 -14.429) 14.489 ======================= Grid point 346 (168/215) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 1.273 3.679 26.418) 26.704 2.064 ( -0.258 0.474 33.555) 33.559 2.435 ( -0.642 0.675 -18.730) 18.753 2.661 ( 0.458 3.708 -26.853) 27.112 2.906 ( 5.510 2.275 5.852) 8.354 3.055 ( -5.419 1.757 -8.712) 10.409 3.290 ( 0.260 14.676 31.337) 34.604 3.453 ( -0.506 -5.382 5.473) 7.693 3.650 ( 3.769 -2.034 -2.247) 4.836 3.847 ( 1.913 3.211 -0.730) 3.808 3.892 ( 0.204 5.890 -4.313) 7.303 4.041 ( -6.411 7.797 -23.083) 25.193 4.557 ( 5.442 -2.006 2.858) 6.466 4.651 ( -4.657 -4.487 -5.964) 8.797 4.931 ( -0.682 3.848 3.466) 5.224 4.996 ( -0.072 1.913 -3.088) 3.633 5.360 ( -8.243 -0.820 7.884) 11.436 5.510 ( 8.355 -0.793 -7.565) 11.299 5.720 ( -3.442 1.726 2.307) 4.489 5.770 ( 6.406 1.817 -2.966) 7.289 5.976 ( -1.577 -7.769 5.172) 9.465 6.071 ( -0.646 -7.246 -4.529) 8.570 6.534 ( 0.116 1.697 1.425) 2.219 6.568 ( 0.304 3.525 -2.115) 4.122 6.867 ( -0.360 -4.707 2.333) 5.266 6.879 ( -1.805 -5.438 0.934) 5.805 7.269 ( 6.565 -1.301 2.340) 7.090 7.303 ( -4.909 -1.516 -1.501) 5.353 7.574 ( -0.688 2.189 2.717) 3.556 7.633 ( 0.279 2.492 -3.366) 4.197 9.144 ( 0.278 -2.074 9.980) 10.197 9.300 ( 1.734 2.557 5.547) 6.349 9.330 ( 1.537 1.690 -8.541) 8.841 9.414 ( -2.500 2.943 -5.764) 6.938 9.687 ( 1.258 3.443 6.276) 7.268 9.748 ( -0.214 7.086 0.445) 7.103 9.963 ( -1.837 -2.826 -0.973) 3.508 9.968 ( 1.375 -4.595 -1.610) 5.059 10.159 ( 0.955 1.375 2.797) 3.260 10.206 ( -0.884 -0.011 -1.350) 1.613 10.488 ( -8.212 10.608 24.076) 27.561 10.994 ( 8.314 7.289 -25.849) 28.114 11.616 ( 2.613 -0.290 2.742) 3.799 11.662 ( -3.844 1.735 -1.846) 4.604 11.890 ( 2.880 -0.856 5.353) 6.139 11.944 ( -7.171 0.430 1.415) 7.322 12.124 ( -5.027 -0.409 -3.258) 6.005 12.153 ( 7.197 2.233 -4.580) 8.818 12.496 ( -2.946 -4.386 18.277) 19.025 12.650 ( 2.268 -2.460 0.794) 3.439 12.749 ( 5.185 0.856 -3.188) 6.147 12.991 ( -2.168 -4.190 -22.812) 23.295 16.372 ( -0.737 0.787 4.288) 4.421 16.434 ( 0.661 0.750 -2.090) 2.317 17.487 ( -5.711 -5.455 5.088) 9.394 17.589 ( 4.579 -3.407 -0.634) 5.743 17.618 ( 6.837 -5.291 0.234) 8.649 17.727 ( -5.339 -2.816 -6.469) 8.848 19.698 ( -3.812 4.213 19.743) 20.545 20.046 ( 3.128 2.936 -16.066) 16.629 ======================= Grid point 347 (169/215) ======================= q-point: ( 0.08 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -1.120 0.319 -26.859) 26.884 2.277 ( 0.946 0.490 25.369) 25.391 2.401 ( 7.596 4.349 -26.414) 27.826 2.495 ( 7.383 5.508 24.795) 26.451 2.879 ( -4.196 3.083 -7.032) 8.750 3.083 ( 6.026 1.844 7.528) 9.818 3.449 ( -1.364 -4.141 2.981) 5.282 3.507 ( 1.011 -3.757 -0.193) 3.895 3.634 ( 0.645 11.524 -21.386) 24.302 3.810 ( -0.015 0.699 -2.961) 3.042 3.908 ( 1.135 5.776 -0.044) 5.886 3.980 ( 9.493 11.326 21.202) 25.844 4.519 ( -3.573 -5.180 -5.690) 8.484 4.687 ( 4.440 -4.437 5.384) 8.270 4.925 ( -2.604 4.357 0.367) 5.089 5.010 ( 2.844 3.308 0.893) 4.453 5.277 ( -11.317 -0.071 6.510) 13.056 5.476 ( -3.611 -3.708 -6.178) 8.059 5.637 ( -5.163 2.081 -0.588) 5.597 5.764 ( -2.069 2.217 -3.612) 4.716 6.002 ( -2.753 -8.214 0.927) 8.712 6.071 ( 2.519 -6.000 0.804) 6.557 6.491 ( -1.355 5.268 -0.566) 5.469 6.527 ( -6.428 1.725 1.237) 6.769 6.887 ( -0.419 -6.430 1.855) 6.706 6.928 ( 6.061 -1.032 -0.257) 6.153 7.169 ( -8.228 -0.096 -3.060) 8.779 7.363 ( 3.618 -1.033 1.220) 3.956 7.613 ( 1.939 1.795 -0.866) 2.780 7.626 ( 2.213 1.695 1.185) 3.029 9.174 ( -5.248 -1.548 -4.074) 6.821 9.230 ( -2.537 -0.019 -1.715) 3.062 9.293 ( -1.829 -0.666 1.936) 2.746 9.438 ( 3.361 1.363 2.523) 4.418 9.655 ( -3.044 1.504 -1.733) 3.812 9.878 ( 8.460 7.399 -3.054) 11.647 9.936 ( 1.218 -4.271 2.606) 5.150 10.049 ( 7.118 1.469 -0.028) 7.268 10.165 ( -0.487 -0.144 -2.828) 2.873 10.182 ( -1.705 0.705 1.683) 2.497 10.690 ( -1.303 7.296 24.859) 25.940 10.881 ( 13.065 8.677 -23.687) 28.408 11.595 ( -1.888 1.787 -0.994) 2.783 11.698 ( 3.171 3.309 2.529) 5.234 11.835 ( -5.997 -4.602 2.897) 8.096 11.990 ( -3.963 -5.793 -3.295) 7.753 12.079 ( 5.193 2.356 8.156) 9.952 12.213 ( 5.574 3.988 -4.355) 8.121 12.517 ( -7.554 -0.782 4.248) 8.702 12.667 ( -6.100 1.184 -8.238) 10.319 12.741 ( 6.412 -7.712 -11.945) 15.597 12.893 ( 3.795 -1.351 13.442) 14.033 16.406 ( -0.072 0.904 2.616) 2.769 16.420 ( 1.248 0.422 -2.895) 3.181 17.405 ( -8.834 -6.309 4.593) 11.787 17.500 ( -8.069 -6.317 -5.518) 11.639 17.697 ( 6.309 -2.429 -5.312) 8.598 17.755 ( 3.441 3.178 6.050) 7.651 19.858 ( -2.663 3.658 18.134) 18.690 19.905 ( 2.810 0.023 -17.630) 17.852 ======================= Grid point 348 (170/215) ======================= q-point: ( 0.17 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 6.174 2.513 -26.725) 27.544 2.239 ( 8.266 11.680 -25.776) 29.482 2.592 ( 2.690 -1.711 23.727) 23.941 2.750 ( 1.432 6.122 -0.482) 6.306 2.887 ( 5.444 7.969 15.175) 17.984 3.236 ( 4.589 0.394 4.475) 6.422 3.440 ( 3.884 0.432 -5.017) 6.359 3.512 ( -2.605 -6.218 2.709) 7.266 3.539 ( 10.753 9.974 -14.349) 20.518 3.720 ( -1.322 -0.679 -7.197) 7.348 3.871 ( -1.468 5.614 -3.162) 6.609 4.401 ( 0.362 6.401 6.274) 8.970 4.415 ( 5.387 -9.203 7.521) 13.049 4.798 ( -0.255 -4.619 7.330) 8.668 4.903 ( -2.100 6.038 3.656) 7.364 5.062 ( 1.735 3.346 0.913) 3.878 5.194 ( -4.252 -0.741 3.498) 5.555 5.307 ( -7.971 -4.672 -4.859) 10.439 5.541 ( -6.383 -0.618 -0.969) 6.485 5.654 ( -5.488 3.533 -4.577) 7.971 5.933 ( -7.902 -7.435 2.325) 11.097 6.084 ( 0.415 -2.208 -1.044) 2.477 6.418 ( -7.164 3.002 0.145) 7.769 6.520 ( 1.966 6.516 1.460) 6.961 6.885 ( -1.045 -3.353 0.466) 3.543 6.967 ( -2.786 -0.689 -4.012) 4.933 7.068 ( 2.164 2.513 1.227) 3.536 7.444 ( 4.390 -1.232 2.125) 5.030 7.614 ( 1.441 1.269 -2.471) 3.129 7.707 ( 4.695 0.084 1.820) 5.036 9.047 ( -3.947 -2.404 -4.604) 6.524 9.124 ( -1.501 1.843 -5.954) 6.411 9.348 ( 0.656 -3.456 5.863) 6.838 9.498 ( -1.904 -4.305 5.121) 6.956 9.571 ( -1.328 -0.972 -6.015) 6.236 9.919 ( 2.880 7.483 -3.506) 8.751 9.983 ( -1.911 -4.431 3.104) 5.737 10.082 ( -2.912 2.581 -2.521) 4.637 10.171 ( 1.740 1.732 -2.371) 3.413 10.197 ( 7.883 -1.077 -2.461) 8.329 10.841 ( 16.167 7.343 -18.173) 25.408 11.028 ( 5.677 4.499 20.626) 21.861 11.587 ( 1.308 1.777 0.230) 2.219 11.742 ( 0.032 4.592 -0.407) 4.610 11.822 ( -7.492 -6.932 6.090) 11.886 11.859 ( -0.215 -4.130 -5.094) 6.561 12.205 ( 2.152 2.277 -6.972) 7.643 12.284 ( 1.938 -4.615 10.414) 11.554 12.420 ( 1.385 3.733 -6.964) 8.021 12.488 ( -8.421 4.883 0.903) 9.776 12.755 ( 7.755 -6.322 -6.520) 11.942 13.117 ( 0.470 -2.985 17.588) 17.845 16.399 ( 1.761 -0.390 -4.646) 4.984 16.435 ( 0.447 0.976 1.395) 1.760 17.295 ( -6.705 -4.174 -1.763) 8.092 17.383 ( -6.247 -6.720 6.778) 11.408 17.693 ( 0.529 4.099 -5.220) 6.658 17.846 ( -0.963 10.061 6.561) 12.050 19.746 ( 3.007 -4.397 -18.902) 19.639 20.010 ( -1.347 -1.692 13.804) 13.972 ======================= Grid point 349 (171/215) ======================= q-point: ( 0.25 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 18.744 7.712 -12.813) 23.979 2.117 ( 10.641 14.425 -21.070) 27.663 2.769 ( 2.558 5.675 0.154) 6.227 2.860 ( -0.891 -2.299 20.318) 20.467 3.131 ( 4.211 9.413 11.699) 15.595 3.348 ( 3.870 -1.288 3.915) 5.653 3.402 ( -6.751 3.177 0.159) 7.463 3.458 ( -5.678 -7.117 0.723) 9.133 3.610 ( 15.241 4.538 -14.104) 21.256 3.692 ( 11.002 2.194 -9.495) 14.698 3.816 ( -1.550 5.042 -0.777) 5.332 4.290 ( -4.773 -0.002 -4.308) 6.429 4.619 ( 0.633 -7.139 5.944) 9.311 4.837 ( -2.952 -1.871 5.589) 6.592 4.922 ( -4.211 5.721 3.434) 7.890 5.078 ( 0.522 0.309 -3.827) 3.875 5.157 ( -0.210 -4.777 -1.138) 4.915 5.251 ( 3.325 0.926 2.500) 4.262 5.440 ( -3.692 1.062 0.407) 3.863 5.521 ( -6.372 3.355 -0.622) 7.228 5.829 ( -8.415 -5.498 2.797) 10.434 6.069 ( -0.354 -0.132 -3.158) 3.181 6.310 ( -5.156 4.322 -0.570) 6.752 6.541 ( -1.368 5.878 1.380) 6.191 6.831 ( -3.936 0.766 -0.804) 4.089 6.940 ( 0.002 -2.055 2.787) 3.463 7.130 ( 3.332 3.177 -0.609) 4.644 7.531 ( 3.401 -1.907 0.603) 3.946 7.611 ( 2.229 0.310 -2.315) 3.228 7.807 ( 5.674 -1.280 0.617) 5.849 8.937 ( -3.321 -3.548 -3.989) 6.287 9.107 ( 3.316 5.610 -0.098) 6.517 9.417 ( 0.172 -5.230 4.414) 6.846 9.462 ( -6.007 -8.386 1.913) 10.491 9.529 ( 1.942 -3.102 -3.760) 5.247 9.864 ( -5.737 4.291 -1.572) 7.335 9.968 ( -3.912 -1.919 0.621) 4.401 10.017 ( 0.105 -0.843 -0.253) 0.886 10.169 ( 4.802 2.249 -7.678) 9.331 10.272 ( 5.248 -2.195 -3.167) 6.511 10.919 ( 16.097 6.242 -15.103) 22.938 11.302 ( 3.274 -1.069 10.641) 11.184 11.607 ( -5.969 -7.831 -3.481) 10.443 11.653 ( -2.534 -0.532 -1.269) 2.884 11.735 ( 0.758 2.551 1.362) 2.989 11.919 ( 3.167 3.801 2.031) 5.348 12.122 ( 1.067 -0.116 -7.733) 7.808 12.294 ( -7.417 -4.529 6.035) 10.580 12.397 ( -2.993 8.134 1.078) 8.734 12.558 ( 9.881 1.247 4.716) 11.019 12.846 ( 9.071 -2.539 -2.158) 9.664 13.274 ( -3.519 -3.490 14.401) 15.230 16.369 ( 1.980 -0.875 -5.798) 6.189 16.450 ( 0.515 -0.128 -0.435) 0.686 17.226 ( -2.732 1.391 3.546) 4.687 17.388 ( -5.102 0.113 7.399) 8.989 17.633 ( -2.870 4.756 0.889) 5.626 17.883 ( -3.787 13.223 8.268) 16.048 19.586 ( 4.611 -8.111 -20.146) 22.202 20.093 ( -2.836 -7.628 5.904) 10.054 ======================= Grid point 350 (172/215) ======================= q-point: ( 0.33 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 18.671 12.041 -11.799) 25.156 2.168 ( 21.153 9.154 0.586) 23.057 2.813 ( 0.312 6.401 2.476) 6.871 3.007 ( -4.927 -2.155 13.771) 14.784 3.258 ( -1.342 4.773 3.219) 5.911 3.291 ( -5.949 4.524 4.198) 8.573 3.357 ( -7.348 -5.094 3.241) 9.511 3.435 ( 0.866 0.943 2.375) 2.698 3.681 ( 9.135 0.609 -7.768) 12.007 3.779 ( 8.007 4.273 -5.346) 10.534 3.819 ( 3.222 4.090 -3.517) 6.283 4.187 ( -1.253 -0.263 -3.238) 3.482 4.594 ( -5.071 -6.753 -4.597) 9.615 4.769 ( -6.782 3.325 -7.292) 10.499 4.900 ( 1.723 -4.054 7.202) 8.442 5.081 ( 1.961 1.183 -0.027) 2.290 5.178 ( 4.511 2.296 -1.232) 5.210 5.344 ( 3.657 1.513 2.583) 4.726 5.434 ( -3.332 3.882 0.513) 5.142 5.484 ( 3.315 -1.003 2.863) 4.494 5.727 ( -7.912 -2.645 2.290) 8.651 5.964 ( -5.109 2.440 -7.523) 9.415 6.299 ( 3.006 1.124 2.583) 4.120 6.521 ( -3.833 5.535 2.629) 7.228 6.764 ( -5.774 1.020 1.704) 6.106 6.971 ( 0.334 -2.404 1.907) 3.087 7.150 ( 0.869 4.352 -1.794) 4.787 7.529 ( -1.777 -1.831 -2.748) 3.751 7.652 ( 4.677 0.407 -1.389) 4.896 7.881 ( 3.813 -1.405 -1.768) 4.431 8.879 ( -0.751 -5.704 0.351) 5.764 9.187 ( 2.304 6.977 3.664) 8.211 9.395 ( -5.707 -8.962 3.048) 11.053 9.434 ( -1.279 -6.020 0.006) 6.155 9.528 ( 3.302 -4.800 -2.775) 6.453 9.743 ( -6.494 0.900 -0.340) 6.564 9.938 ( 0.881 -1.956 -0.212) 2.156 10.042 ( 0.954 -0.300 1.537) 1.834 10.157 ( 5.993 -0.575 -9.263) 11.048 10.299 ( 1.479 -3.442 -1.201) 3.934 10.969 ( 7.944 -2.439 -12.104) 14.683 11.262 ( -8.303 -14.142 -11.830) 20.221 11.453 ( -1.988 -0.166 1.342) 2.404 11.644 ( -0.474 2.143 -1.433) 2.621 11.829 ( 3.222 7.509 3.124) 8.748 11.994 ( 6.041 6.194 -0.944) 8.703 12.137 ( 1.509 -1.039 2.505) 3.104 12.242 ( -4.278 -0.845 8.729) 9.758 12.405 ( 1.002 6.548 0.989) 6.698 12.757 ( 7.569 2.549 4.592) 9.212 12.970 ( 8.530 0.218 -1.131) 8.608 13.322 ( -7.328 -3.027 9.718) 12.542 16.338 ( 2.174 -1.365 -5.333) 5.919 16.439 ( -0.096 -1.810 -2.149) 2.811 17.246 ( -2.243 11.756 3.449) 12.455 17.353 ( -5.738 6.327 4.022) 9.441 17.670 ( -0.747 0.811 10.741) 10.797 17.948 ( -3.437 9.236 14.674) 17.676 19.456 ( 7.964 -10.070 -20.403) 24.106 20.036 ( -6.570 -10.619 -2.771) 12.791 ======================= Grid point 351 (173/215) ======================= q-point: ( 0.42 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 17.888 9.435 -6.023) 21.102 2.600 ( 19.270 5.923 9.027) 22.088 2.785 ( -5.673 5.444 -0.501) 7.879 3.047 ( -3.325 0.703 9.454) 10.046 3.182 ( -7.093 3.721 1.968) 8.248 3.299 ( -2.967 -3.121 5.569) 7.040 3.355 ( -2.440 3.374 6.971) 8.120 3.435 ( -2.244 3.949 1.569) 4.805 3.707 ( 4.522 -2.101 -7.650) 9.131 3.775 ( -0.568 -1.677 -6.785) 7.012 3.835 ( 3.264 5.303 -0.318) 6.235 4.186 ( 1.480 1.215 -1.720) 2.574 4.399 ( -3.848 -2.127 -11.255) 12.083 4.591 ( -7.150 2.395 -4.826) 8.953 5.028 ( 2.374 -4.269 6.966) 8.508 5.161 ( 5.934 1.752 1.113) 6.286 5.269 ( 8.421 5.078 -1.269) 9.915 5.388 ( -1.832 2.272 3.021) 4.201 5.436 ( 5.054 2.919 -0.836) 5.896 5.540 ( -1.353 -3.201 0.763) 3.558 5.647 ( -4.369 0.121 1.573) 4.645 5.786 ( -5.252 1.932 -7.810) 9.608 6.413 ( 6.828 0.326 0.120) 6.836 6.476 ( -6.158 4.844 3.369) 8.528 6.704 ( -5.020 1.904 6.135) 8.153 7.001 ( 1.557 -0.391 0.384) 1.651 7.126 ( 0.248 3.038 -2.813) 4.148 7.423 ( -6.194 -0.340 -4.229) 7.508 7.711 ( 3.985 0.601 -0.774) 4.104 7.876 ( 0.011 -0.815 -4.400) 4.475 8.925 ( 2.659 -6.930 4.684) 8.777 9.210 ( -3.631 0.504 1.847) 4.105 9.339 ( -6.494 -8.354 4.480) 11.491 9.412 ( 2.477 -6.466 -4.595) 8.310 9.579 ( 4.546 -1.841 -0.262) 4.912 9.675 ( -1.771 -0.603 -0.551) 1.950 9.990 ( 3.536 -2.504 3.064) 5.307 10.065 ( 0.637 -0.344 0.233) 0.761 10.160 ( 5.529 -3.339 -7.404) 9.826 10.298 ( -1.893 -1.723 1.439) 2.937 10.891 ( -2.062 -15.289 -9.168) 17.946 10.979 ( -7.239 -19.252 -11.700) 23.663 11.493 ( 5.160 10.030 -0.902) 11.315 11.629 ( -1.520 6.061 0.514) 6.269 11.852 ( 1.856 5.762 -2.560) 6.573 12.008 ( -3.900 -0.843 -2.174) 4.543 12.195 ( 2.552 3.440 7.799) 8.897 12.421 ( -0.134 5.385 -0.023) 5.386 12.434 ( 9.032 4.581 10.887) 14.869 12.873 ( 2.573 5.770 0.735) 6.360 13.090 ( 8.241 0.855 -1.238) 8.378 13.266 ( -10.110 -1.055 5.718) 11.663 16.325 ( 2.274 -1.994 -3.339) 4.505 16.402 ( -1.019 -2.890 -2.746) 4.115 17.219 ( -1.781 15.128 0.239) 15.234 17.308 ( -5.284 9.727 2.276) 11.301 17.842 ( 4.037 0.574 14.508) 15.070 18.075 ( -4.803 3.363 17.062) 18.042 19.405 ( 12.378 -10.461 -16.603) 23.201 19.831 ( -11.008 -10.920 -8.409) 17.639 ======================= Grid point 352 (174/215) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 1.201 5.927 0.455) 6.064 2.549 ( -1.599 7.903 -2.958) 8.589 3.008 ( 11.114 2.057 7.917) 13.799 3.033 ( -15.544 6.489 7.226) 18.329 3.148 ( 1.902 0.621 3.341) 3.895 3.272 ( -0.017 0.943 -5.278) 5.362 3.428 ( 1.959 3.839 6.755) 8.013 3.475 ( 1.709 -0.649 8.786) 8.974 3.649 ( 1.390 -3.641 -10.500) 11.200 3.693 ( 1.185 -8.554 -8.329) 11.998 3.900 ( 2.498 7.117 5.359) 9.252 4.055 ( -5.305 5.449 -10.312) 12.813 4.386 ( 6.329 0.880 0.528) 6.411 4.428 ( -7.669 2.617 -3.477) 8.817 5.128 ( 1.396 -0.475 5.171) 5.378 5.188 ( -1.587 1.903 -1.422) 2.857 5.357 ( -1.871 2.695 3.507) 4.802 5.435 ( 3.774 2.850 -3.692) 6.000 5.496 ( -2.231 -1.150 1.838) 3.111 5.531 ( 5.968 1.276 -1.017) 6.187 5.575 ( -5.551 -1.007 2.238) 6.070 5.663 ( 0.796 0.292 -5.616) 5.680 6.414 ( -5.605 3.369 3.389) 7.366 6.485 ( 5.860 2.109 -3.193) 6.999 6.775 ( 0.716 2.881 9.718) 10.161 6.972 ( 1.018 2.473 -9.217) 9.597 7.170 ( 2.510 -0.618 5.469) 6.050 7.268 ( -5.089 1.694 -4.186) 6.804 7.758 ( 1.838 0.502 0.766) 2.053 7.804 ( -2.249 -0.054 -4.013) 4.601 9.053 ( 6.053 -5.916 5.079) 9.871 9.128 ( -5.089 -4.495 -2.470) 7.226 9.315 ( -3.248 -8.582 4.530) 10.234 9.405 ( 3.280 -6.936 -4.760) 9.029 9.602 ( -5.236 -0.349 3.531) 6.324 9.681 ( 6.143 -1.393 -4.593) 7.796 10.064 ( 0.394 -3.600 0.579) 3.668 10.098 ( 1.274 -2.405 0.332) 2.742 10.171 ( 4.288 -1.918 1.148) 4.836 10.244 ( -5.647 2.313 -1.825) 6.369 10.773 ( -1.649 -22.276 -2.826) 22.515 10.811 ( -2.245 -20.534 -5.448) 21.363 11.572 ( 4.891 13.093 -0.667) 13.992 11.576 ( -3.934 11.782 -0.859) 12.451 11.875 ( -2.483 -2.207 1.270) 3.556 11.920 ( 2.242 0.480 -3.364) 4.071 12.314 ( 0.632 4.610 6.050) 7.633 12.400 ( 0.356 5.764 -2.739) 6.392 12.686 ( 6.889 5.726 9.410) 12.992 12.840 ( -2.850 6.117 -6.115) 9.107 13.149 ( -10.856 2.267 4.885) 12.118 13.209 ( 8.282 0.005 -1.317) 8.386 16.335 ( 1.759 -2.425 -0.861) 3.117 16.350 ( -1.808 -3.013 -2.187) 4.139 17.230 ( 1.563 13.306 1.278) 13.458 17.252 ( -1.050 12.777 -0.958) 12.855 18.083 ( 6.006 -0.513 11.639) 13.107 18.129 ( -5.716 1.081 7.820) 9.746 19.491 ( 13.597 -10.508 -6.404) 18.339 19.520 ( -14.577 -9.954 -8.442) 19.567 ======================= Grid point 354 (175/215) ======================= q-point: (-0.42 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -20.348 9.267 0.370) 22.362 2.725 ( -20.521 5.929 2.734) 21.535 2.764 ( 7.840 6.641 -3.035) 10.714 3.137 ( -2.529 -1.510 -0.998) 3.110 3.219 ( -0.590 1.860 4.811) 5.192 3.261 ( 7.061 3.120 0.956) 7.779 3.528 ( 3.541 1.907 -0.405) 4.042 3.543 ( 3.286 -1.598 -11.057) 11.646 3.592 ( -4.311 -4.385 -4.387) 7.554 3.664 ( 7.274 0.856 4.380) 8.534 3.897 ( -2.955 2.771 -5.193) 6.586 4.078 ( 7.603 4.121 10.918) 13.929 4.273 ( -7.990 2.142 -0.420) 8.283 4.516 ( 6.604 0.981 3.240) 7.421 5.109 ( -3.852 2.152 -1.568) 4.682 5.174 ( -4.533 0.144 0.113) 4.536 5.254 ( -8.187 1.437 0.701) 8.342 5.389 ( -4.653 3.216 1.972) 5.990 5.458 ( 1.992 1.082 -4.213) 4.784 5.569 ( 0.641 -3.144 -0.969) 3.352 5.660 ( 6.131 -1.086 3.445) 7.116 5.693 ( 6.182 2.459 -1.125) 6.748 6.378 ( -3.773 2.117 2.594) 5.045 6.555 ( 7.233 3.121 -3.537) 8.635 6.838 ( -1.339 0.117 -2.666) 2.986 6.925 ( 2.698 3.966 0.571) 4.830 7.119 ( -4.303 1.931 0.037) 4.716 7.357 ( 8.043 0.649 3.545) 8.813 7.719 ( -3.862 0.171 -1.675) 4.213 7.799 ( 0.387 0.729 2.815) 2.933 9.016 ( -3.924 -7.018 -4.366) 9.149 9.204 ( 5.990 -2.581 2.282) 6.910 9.322 ( -1.698 -8.104 4.012) 9.200 9.417 ( 4.491 -7.085 -3.394) 9.049 9.536 ( -5.894 -1.306 2.229) 6.436 9.721 ( 4.536 -2.368 -3.807) 6.378 10.052 ( -3.547 -2.861 1.294) 4.738 10.063 ( -0.986 -3.669 -3.227) 4.985 10.102 ( -6.517 2.139 -2.749) 7.390 10.296 ( 3.418 1.345 3.939) 5.386 10.751 ( -1.878 -17.463 4.365) 18.098 10.821 ( 3.883 -22.025 3.526) 22.641 11.497 ( -2.719 9.463 -1.341) 9.937 11.641 ( 3.006 11.402 -0.357) 11.797 11.798 ( -4.606 0.405 1.477) 4.854 11.992 ( 3.832 1.267 -0.107) 4.038 12.299 ( -2.587 1.400 -1.750) 3.423 12.420 ( 2.574 6.437 -0.689) 6.967 12.644 ( -7.402 4.180 -10.102) 13.202 12.848 ( 2.176 7.719 3.100) 8.598 13.032 ( -10.611 3.876 4.726) 12.246 13.336 ( 9.303 -3.206 -1.315) 9.928 16.296 ( -2.659 -2.299 -0.380) 3.536 16.363 ( 1.375 -2.274 0.959) 2.825 17.230 ( 1.860 13.291 -0.987) 13.456 17.329 ( 7.346 12.841 0.015) 14.793 18.044 ( -5.728 0.705 -3.673) 6.841 18.282 ( 8.177 -0.897 -0.700) 8.256 19.193 ( -18.600 -9.314 1.706) 20.871 19.698 ( 12.664 -10.845 3.129) 16.964 ======================= Grid point 355 (176/215) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -20.946 12.854 6.077) 25.316 2.270 ( -27.774 8.608 -6.014) 29.693 2.858 ( 0.778 6.934 -1.814) 7.209 3.124 ( 1.917 -1.250 1.741) 2.876 3.233 ( -0.589 0.712 2.450) 2.619 3.375 ( -6.910 1.182 1.181) 7.109 3.412 ( -4.476 5.506 1.617) 7.278 3.473 ( 2.542 -2.338 -7.483) 8.241 3.574 ( 1.128 0.935 -3.014) 3.352 3.746 ( -1.712 5.322 -1.039) 5.687 3.842 ( 1.782 -0.867 -3.027) 3.618 4.143 ( -1.735 1.852 0.751) 2.647 4.405 ( 9.306 -4.040 14.144) 17.406 4.663 ( 7.287 1.144 3.679) 8.243 5.023 ( -4.250 -3.346 -4.497) 7.034 5.054 ( -2.850 3.582 1.489) 4.814 5.206 ( -1.295 2.703 -2.980) 4.226 5.355 ( -2.952 3.539 1.717) 4.918 5.440 ( -1.372 2.070 -0.817) 2.614 5.546 ( 1.649 -4.491 -3.287) 5.805 5.766 ( 7.601 -1.958 -1.220) 7.943 5.852 ( 9.018 2.673 3.875) 10.173 6.326 ( -4.185 1.034 -0.167) 4.314 6.609 ( 5.388 4.388 -5.563) 8.901 6.800 ( 1.607 -1.344 -1.991) 2.890 6.955 ( -2.084 1.437 3.102) 4.004 7.117 ( 1.184 4.606 1.393) 4.956 7.494 ( 5.266 0.184 1.124) 5.388 7.640 ( -4.424 0.682 -0.427) 4.496 7.829 ( -1.724 0.230 3.530) 3.935 8.917 ( -2.581 -7.165 -3.227) 8.271 9.228 ( -3.928 5.836 -0.535) 7.055 9.341 ( -2.693 -10.490 4.689) 11.802 9.492 ( 6.536 -5.630 -1.998) 8.855 9.500 ( 1.433 -5.189 -0.709) 5.429 9.760 ( 5.664 -1.220 -1.761) 6.055 9.958 ( -3.442 1.410 -2.926) 4.733 10.009 ( -5.679 -3.711 3.190) 7.497 10.058 ( -0.353 -0.494 1.057) 1.219 10.328 ( -0.394 -1.109 -1.519) 1.921 10.752 ( -10.017 -1.884 10.013) 14.288 11.021 ( 10.276 -21.749 11.421) 26.628 11.480 ( 2.708 1.499 -1.854) 3.608 11.641 ( -0.514 5.808 -1.197) 5.952 11.801 ( -0.567 5.242 4.715) 7.074 11.962 ( -7.702 5.241 0.375) 9.324 12.255 ( -0.759 -0.482 -5.762) 5.832 12.427 ( 1.083 4.469 -8.175) 9.379 12.438 ( -0.302 2.430 -4.443) 5.073 12.828 ( -4.845 3.951 -2.603) 6.772 12.922 ( -9.211 4.620 4.139) 11.105 13.458 ( 9.075 -5.799 -3.958) 11.474 16.263 ( -2.582 -1.250 2.168) 3.595 16.397 ( 0.852 -1.584 1.825) 2.562 17.279 ( 5.058 13.871 -0.914) 14.793 17.434 ( 6.836 10.171 -3.281) 12.687 17.897 ( -1.579 1.831 -10.470) 10.746 18.266 ( 1.923 0.608 -16.747) 16.868 19.054 ( -12.928 -9.160 19.827) 25.381 19.933 ( 9.321 -11.134 6.483) 15.902 ======================= Grid point 356 (177/215) ======================= q-point: (-0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -23.153 13.973 8.479) 28.342 1.804 ( -22.165 14.276 5.659) 26.965 2.792 ( -4.677 5.937 -1.685) 7.744 3.089 ( -22.695 8.166 10.043) 26.126 3.201 ( -6.513 3.899 3.341) 8.294 3.232 ( -4.322 -1.812 3.466) 5.829 3.401 ( 2.046 -1.693 -4.523) 5.245 3.501 ( 7.613 1.838 -6.155) 9.961 3.512 ( -2.668 0.197 -3.207) 4.177 3.691 ( 1.305 -0.224 -3.535) 3.775 3.820 ( -0.505 2.173 -1.837) 2.890 4.212 ( 5.059 3.060 3.707) 6.978 4.648 ( 5.856 -7.904 3.812) 10.550 4.842 ( 9.052 3.147 5.194) 10.900 4.951 ( 0.152 -4.390 -4.040) 5.968 5.068 ( -0.401 -0.842 5.309) 5.390 5.151 ( 2.888 2.530 -6.843) 7.846 5.309 ( -2.627 2.651 -2.199) 4.332 5.411 ( -1.421 4.681 1.846) 5.228 5.578 ( 6.758 -3.993 -4.431) 9.014 5.877 ( 8.082 -4.327 -1.627) 9.311 6.011 ( 5.201 0.764 2.256) 5.721 6.293 ( 1.631 1.243 0.751) 2.184 6.608 ( 2.481 5.141 -5.127) 7.672 6.823 ( 1.242 0.076 0.566) 1.368 6.947 ( -2.466 -0.531 2.088) 3.274 7.129 ( -1.129 5.075 -0.194) 5.203 7.540 ( 0.242 -0.756 -1.052) 1.318 7.580 ( -2.958 1.176 0.854) 3.295 7.808 ( -3.925 -0.796 0.703) 4.066 8.886 ( 0.722 -4.133 1.018) 4.317 9.120 ( -7.114 7.056 -0.629) 10.040 9.359 ( -2.132 -6.769 6.412) 9.564 9.477 ( -2.246 -4.957 -1.163) 5.565 9.582 ( 7.170 -6.072 -3.828) 10.146 9.849 ( 3.279 1.798 -1.407) 3.995 9.939 ( 3.084 -1.777 3.157) 4.758 9.973 ( -2.155 -1.738 2.785) 3.927 10.079 ( 0.158 0.385 2.288) 2.326 10.275 ( -2.784 -1.735 -2.585) 4.176 10.657 ( -16.590 7.270 11.886) 21.665 11.331 ( 10.416 -13.591 8.749) 19.229 11.522 ( 4.491 -2.327 0.153) 5.060 11.644 ( 0.478 3.278 0.993) 3.458 11.773 ( -6.771 5.280 -2.194) 8.862 11.891 ( -1.332 -0.247 5.912) 6.065 12.106 ( -4.949 4.987 -6.145) 9.333 12.361 ( -1.996 -0.072 -3.032) 3.631 12.487 ( 9.583 1.762 -5.409) 11.144 12.673 ( -6.738 -1.543 -6.712) 9.635 12.814 ( -9.053 3.824 1.853) 10.001 13.513 ( 6.797 -6.617 -9.590) 13.489 16.265 ( -1.997 -0.495 4.541) 4.985 16.427 ( 0.424 -0.530 1.597) 1.735 17.330 ( 3.507 9.476 -5.190) 11.359 17.463 ( 3.586 6.423 -3.127) 7.994 17.784 ( 2.224 0.463 -12.038) 12.251 18.073 ( -1.878 6.208 -12.259) 13.869 19.165 ( -5.624 -7.653 23.196) 25.065 20.117 ( 6.559 -9.635 3.153) 12.074 ======================= Grid point 357 (178/215) ======================= q-point: (-0.17 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -17.326 10.194 17.198) 26.455 1.748 ( -12.921 15.335 24.293) 31.500 2.713 ( -3.699 5.393 0.953) 6.609 2.869 ( -25.320 14.962 23.830) 37.853 2.996 ( -8.839 0.205 -12.720) 15.491 3.195 ( -3.186 5.507 -4.021) 7.526 3.360 ( -2.305 -3.695 -1.606) 4.642 3.444 ( -4.482 -1.527 0.372) 4.750 3.614 ( 12.648 3.013 -4.531) 13.769 3.703 ( 5.330 -5.123 -6.122) 9.598 3.819 ( 0.698 6.286 2.332) 6.741 4.330 ( 3.878 0.856 3.680) 5.414 4.662 ( -0.224 -6.950 -8.403) 10.907 4.901 ( -1.379 -2.698 -4.069) 5.073 4.962 ( -1.461 5.422 1.341) 5.773 5.125 ( 0.772 0.462 -7.349) 7.404 5.182 ( 5.979 -6.051 7.653) 11.443 5.286 ( 8.081 1.306 -4.734) 9.456 5.467 ( 3.655 2.983 4.838) 6.757 5.645 ( 6.956 -0.516 -3.002) 7.593 5.972 ( 4.660 -4.995 -0.956) 6.898 6.070 ( 2.856 -3.190 -0.253) 4.289 6.387 ( 5.658 -1.305 2.154) 6.193 6.584 ( 0.889 8.066 -3.800) 8.960 6.846 ( -0.020 -0.205 2.415) 2.424 6.929 ( -2.050 -1.801 1.649) 3.188 7.091 ( -1.293 4.555 -1.150) 4.873 7.484 ( -3.946 -1.476 -2.403) 4.850 7.568 ( -1.380 1.530 2.195) 3.011 7.738 ( -3.624 -0.370 -1.300) 3.868 8.961 ( 3.804 -1.181 4.266) 5.836 9.037 ( -2.856 5.264 2.808) 6.615 9.413 ( -1.326 -2.857 0.693) 3.225 9.427 ( -1.737 -1.561 5.893) 6.339 9.627 ( 4.913 -6.288 -5.394) 9.631 9.825 ( -5.410 4.075 3.061) 7.432 10.002 ( 1.857 -0.159 1.710) 2.529 10.056 ( 2.884 -3.139 2.861) 5.134 10.094 ( -1.518 -0.557 1.556) 2.244 10.206 ( -1.005 1.466 -2.088) 2.742 10.515 ( -18.368 10.238 13.653) 25.072 11.367 ( -0.484 -0.149 -12.162) 12.172 11.593 ( -2.262 0.458 -0.534) 2.369 11.702 ( 2.758 1.975 4.361) 5.525 11.736 ( 3.358 -1.557 5.142) 6.335 11.933 ( 1.881 -3.210 -2.407) 4.431 12.062 ( 0.329 -0.481 6.331) 6.358 12.294 ( -4.802 4.073 1.686) 6.518 12.470 ( -6.015 -0.529 -6.352) 8.764 12.603 ( 11.262 -2.169 -8.724) 14.410 12.688 ( -7.474 0.081 1.157) 7.564 13.451 ( 3.268 -6.139 -16.010) 17.455 16.295 ( -1.522 -0.096 5.589) 5.794 16.444 ( 0.167 0.553 0.462) 0.740 17.304 ( 3.060 -0.299 -3.891) 4.959 17.504 ( 3.311 2.890 -1.598) 4.676 17.680 ( -0.239 -3.054 -7.453) 8.058 17.968 ( -0.292 9.696 -6.135) 11.478 19.350 ( -3.420 -4.140 21.836) 22.486 20.197 ( 4.560 -4.756 -5.086) 8.323 ======================= Grid point 358 (179/215) ======================= q-point: (-0.08 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.243 3.350 31.185) 31.365 1.859 ( -11.538 7.850 28.991) 32.175 2.663 ( -4.961 -0.106 -10.127) 11.277 2.761 ( 0.609 5.912 -2.424) 6.418 2.868 ( -6.948 16.022 16.133) 23.775 3.062 ( -5.595 9.287 -0.490) 10.853 3.249 ( -5.551 0.772 -6.528) 8.604 3.419 ( -2.432 -5.677 4.803) 7.824 3.671 ( 4.322 -5.543 -8.946) 11.376 3.774 ( 6.681 3.280 0.485) 7.459 3.875 ( 2.708 6.623 0.878) 7.209 4.382 ( -5.009 -8.181 -4.356) 10.535 4.490 ( 2.124 5.365 -12.333) 13.617 4.796 ( -4.777 -1.130 -5.656) 7.489 4.923 ( -1.809 3.068 0.495) 3.596 5.047 ( -1.739 0.470 -3.359) 3.811 5.337 ( 0.748 -3.447 7.646) 8.420 5.413 ( 12.815 0.376 -6.233) 14.256 5.607 ( 7.747 -1.268 3.247) 8.495 5.724 ( 4.599 1.870 -0.674) 5.010 5.984 ( -2.468 -3.390 1.649) 4.506 6.114 ( 2.401 -8.197 -2.515) 8.904 6.470 ( 3.151 0.121 0.994) 3.306 6.573 ( 2.831 5.394 -2.850) 6.725 6.866 ( -2.390 -2.536 3.380) 4.855 6.911 ( -2.803 -4.460 1.433) 5.459 7.127 ( 6.311 1.835 1.590) 6.762 7.387 ( -4.612 -0.854 -1.616) 4.961 7.570 ( -1.793 1.767 2.431) 3.500 7.678 ( -1.328 1.535 -2.664) 3.349 9.034 ( 0.300 -1.592 7.050) 7.234 9.151 ( 7.168 4.615 5.470) 10.129 9.370 ( -0.039 -0.674 -2.971) 3.046 9.496 ( -0.435 4.615 2.520) 5.277 9.618 ( 1.402 -3.077 -3.092) 4.582 9.777 ( -6.369 5.219 6.404) 10.431 10.007 ( -2.209 -2.403 -2.968) 4.412 10.036 ( -5.346 -3.708 1.556) 6.690 10.103 ( 1.601 1.994 2.071) 3.290 10.218 ( 2.005 0.281 -1.444) 2.487 10.422 ( -14.501 11.056 19.091) 26.400 11.177 ( 2.088 4.119 -21.130) 21.629 11.572 ( -0.089 0.086 0.994) 1.001 11.727 ( -1.194 5.791 -0.343) 5.923 11.818 ( -0.544 -2.496 3.722) 4.515 11.969 ( 3.570 -4.262 0.482) 5.581 12.133 ( 0.109 2.223 0.689) 2.330 12.252 ( -5.547 -0.014 -0.689) 5.590 12.340 ( -2.899 -0.480 6.844) 7.448 12.633 ( -1.370 -3.470 2.370) 4.420 12.692 ( 9.745 0.260 -7.674) 12.407 13.264 ( -0.443 -5.084 -20.927) 21.541 16.334 ( -1.235 0.325 5.247) 5.400 16.444 ( 0.246 0.969 -0.896) 1.342 17.384 ( 6.829 -4.780 3.096) 8.893 17.534 ( 4.829 -4.287 -2.713) 7.004 17.617 ( -3.414 -4.376 -0.318) 5.559 17.876 ( -3.308 4.965 -6.201) 8.605 19.533 ( -3.516 0.603 20.646) 20.952 20.157 ( 3.443 1.265 -12.558) 13.083 ======================= Grid point 359 (180/215) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -6.330 6.136 22.413) 24.085 2.116 ( 8.580 5.906 27.089) 29.023 2.469 ( 0.113 2.526 -15.695) 15.897 2.692 ( -2.729 -0.751 -29.705) 29.840 2.980 ( 5.313 3.925 4.850) 8.195 3.098 ( -4.424 1.702 -6.908) 8.378 3.257 ( -3.710 -9.935 6.158) 12.263 3.368 ( 2.950 -9.010 -3.551) 10.124 3.797 ( 1.114 10.596 10.929) 15.263 3.910 ( 1.636 2.147 -2.549) 3.713 4.103 ( 1.980 14.572 5.787) 15.804 4.197 ( -1.393 5.008 -2.231) 5.657 4.586 ( -4.669 3.555 -1.324) 6.016 4.662 ( 0.925 11.299 -6.583) 13.109 5.019 ( 0.932 4.130 1.476) 4.484 5.032 ( -1.058 1.702 0.294) 2.025 5.338 ( -5.541 -1.234 6.883) 8.922 5.479 ( 4.835 -1.866 -7.418) 9.049 5.744 ( 3.749 -0.921 6.006) 7.140 5.810 ( 2.093 1.898 -0.722) 2.916 5.845 ( -6.974 -3.502 0.230) 7.807 5.917 ( 3.774 -7.235 -5.859) 10.045 6.448 ( 1.335 -7.666 4.108) 8.799 6.530 ( -2.448 -5.709 -4.412) 7.619 6.817 ( -3.467 -0.475 2.012) 4.037 6.840 ( 4.128 0.492 -0.612) 4.202 7.298 ( 4.252 3.968 0.942) 5.892 7.312 ( -4.149 2.778 -0.614) 5.031 7.647 ( -1.614 4.557 3.180) 5.786 7.704 ( 0.766 4.025 -2.623) 4.865 9.079 ( 0.459 -4.044 8.942) 9.825 9.259 ( -1.284 -4.836 -7.536) 9.046 9.399 ( 0.445 3.270 1.016) 3.453 9.480 ( 1.150 3.312 -5.599) 6.606 9.743 ( -1.183 -0.995 5.097) 5.327 9.794 ( -0.489 -6.122 -0.871) 6.203 9.894 ( 7.043 -1.481 1.738) 7.404 9.932 ( -4.642 1.300 -2.423) 5.395 10.204 ( 0.313 3.778 4.817) 6.130 10.236 ( 0.001 4.190 2.250) 4.756 10.766 ( -8.165 15.140 19.730) 26.176 11.180 ( 7.691 9.561 -20.679) 24.046 11.639 ( -1.935 1.632 6.089) 6.595 11.729 ( -2.340 3.507 -2.279) 4.793 11.863 ( 1.871 -1.428 0.776) 2.478 11.884 ( -1.193 -4.212 -1.585) 4.655 12.108 ( -6.295 -1.235 0.119) 6.416 12.188 ( 7.759 -0.260 -6.717) 10.265 12.401 ( 3.568 -4.264 15.628) 16.587 12.612 ( -1.401 -0.848 -4.272) 4.575 12.785 ( 4.168 2.849 -1.514) 5.271 12.894 ( -4.625 -4.073 -14.000) 15.296 16.403 ( 0.044 2.255 4.125) 4.702 16.462 ( -0.158 1.998 -1.898) 2.760 17.375 ( -8.903 -4.974 3.665) 10.837 17.472 ( 10.064 -7.949 4.301) 13.527 17.481 ( 10.429 -7.141 -4.232) 13.329 17.623 ( -11.068 -6.800 -9.848) 16.301 19.817 ( -1.100 6.834 18.079) 19.359 20.112 ( 0.371 2.976 -12.267) 12.628 ======================= Grid point 360 (181/215) ======================= q-point: ( 0.08 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -1.327 5.170 -22.732) 23.350 2.321 ( 0.408 3.834 20.604) 20.961 2.451 ( 11.374 1.223 -21.335) 24.208 2.597 ( 13.011 3.829 23.323) 26.980 2.961 ( -2.660 4.292 -6.089) 7.910 3.141 ( 6.842 2.747 5.273) 9.065 3.281 ( -2.457 -11.255 6.680) 13.317 3.369 ( 4.041 -9.047 -5.867) 11.515 3.836 ( -4.333 4.180 0.328) 6.030 3.858 ( -1.295 4.199 -5.665) 7.170 4.128 ( -0.097 13.232 -5.269) 14.242 4.202 ( 1.427 5.788 2.507) 6.467 4.566 ( -2.213 12.979 8.247) 15.536 4.658 ( 3.245 4.687 -0.180) 5.703 5.012 ( -0.462 3.726 -0.399) 3.775 5.069 ( 2.774 2.583 0.580) 3.834 5.269 ( -11.050 -0.861 5.921) 12.566 5.406 ( -4.261 -2.126 -5.411) 7.208 5.656 ( -11.178 -2.932 -0.859) 11.588 5.780 ( -0.876 0.237 -3.107) 3.237 5.848 ( 0.298 -4.365 1.014) 4.492 5.988 ( 5.817 -2.605 -0.849) 6.429 6.452 ( -1.773 -5.639 -2.293) 6.341 6.537 ( 3.675 -3.217 3.973) 6.296 6.800 ( -0.734 -0.646 1.526) 1.813 6.917 ( 6.327 -1.276 -2.961) 7.101 7.215 ( -5.786 5.172 -0.139) 7.762 7.375 ( 3.379 2.455 0.577) 4.217 7.668 ( -0.035 2.840 2.934) 4.083 7.690 ( 0.627 4.529 -1.981) 4.983 9.104 ( -4.427 -4.545 -3.826) 7.409 9.204 ( 0.177 -3.682 5.568) 6.678 9.316 ( -7.941 3.306 -1.898) 8.809 9.456 ( -1.353 1.021 -0.143) 1.701 9.684 ( -4.821 -0.975 -0.108) 4.920 9.823 ( -0.714 -6.616 -0.192) 6.657 9.929 ( 7.338 -2.205 -2.911) 8.197 10.043 ( 8.153 -2.619 1.675) 8.726 10.221 ( -1.598 4.718 -2.634) 5.634 10.241 ( 0.699 6.455 -0.056) 6.493 10.903 ( -3.368 12.176 20.466) 24.052 11.096 ( 10.444 11.003 -18.579) 23.986 11.662 ( -7.060 -4.138 8.054) 11.482 11.696 ( 1.441 5.221 -2.407) 5.927 11.841 ( 1.145 3.593 -0.152) 3.774 11.864 ( -3.650 -5.716 -2.238) 7.141 12.067 ( -1.462 -2.743 5.839) 6.615 12.254 ( 7.417 -0.493 -6.744) 10.037 12.474 ( -1.620 -5.098 -11.355) 12.552 12.623 ( 5.376 -1.707 6.304) 8.459 12.713 ( -4.838 3.520 -3.748) 7.060 12.866 ( 2.680 -0.157 7.752) 8.204 16.427 ( -0.374 1.106 -1.526) 1.921 16.449 ( 0.410 2.502 1.314) 2.856 17.286 ( -6.973 -4.667 4.652) 9.594 17.365 ( -8.367 -6.443 -6.742) 12.528 17.607 ( 12.610 -5.986 -5.583) 15.033 17.738 ( 11.538 -4.914 7.966) 14.857 19.924 ( -4.377 2.204 -13.064) 13.953 19.950 ( -5.605 4.612 13.264) 15.120 ======================= Grid point 361 (182/215) ======================= q-point: ( 0.17 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 8.103 10.843 -18.515) 22.935 2.425 ( 13.182 6.371 -20.406) 25.115 2.588 ( 2.827 1.408 19.830) 20.080 2.897 ( 0.691 7.067 -1.360) 7.229 3.032 ( 11.398 5.092 16.374) 20.590 3.249 ( 2.067 -1.747 0.208) 2.715 3.338 ( 0.428 -9.613 0.274) 9.626 3.388 ( 4.384 -3.758 3.387) 6.694 3.718 ( -7.387 2.611 -3.437) 8.556 3.790 ( 5.159 8.514 -8.219) 12.909 4.073 ( 0.176 14.029 -6.131) 15.311 4.234 ( 2.196 -6.379 1.101) 6.836 4.610 ( -5.043 10.324 5.504) 12.740 4.730 ( 1.742 1.662 4.766) 5.339 5.020 ( 0.549 4.269 1.722) 4.636 5.118 ( 2.264 1.487 0.105) 2.711 5.152 ( -8.746 -1.939 2.348) 9.261 5.274 ( -4.204 1.175 -3.124) 5.368 5.485 ( -9.728 -4.548 1.447) 10.835 5.710 ( -1.790 2.385 -5.802) 6.524 5.821 ( -4.815 -3.231 1.474) 5.983 6.038 ( 2.219 -1.962 -0.730) 3.050 6.409 ( -0.462 -1.592 -2.792) 3.247 6.652 ( 3.649 2.091 4.125) 5.891 6.821 ( 0.355 -1.297 2.258) 2.628 6.919 ( -0.589 -3.407 -5.248) 6.284 7.179 ( 0.363 7.670 2.554) 8.092 7.431 ( 2.985 0.600 1.065) 3.225 7.671 ( -0.225 3.723 -2.062) 4.262 7.710 ( 1.990 0.331 1.732) 2.659 8.994 ( -5.445 -2.464 -2.790) 6.596 9.182 ( -2.498 3.683 -0.871) 4.535 9.265 ( -1.192 -4.596 4.178) 6.325 9.409 ( -6.491 -2.895 2.764) 7.626 9.592 ( -2.022 1.262 -5.878) 6.343 9.835 ( -0.376 -8.693 1.844) 8.894 9.965 ( 0.791 -4.220 -2.556) 4.997 10.121 ( -4.336 2.423 -4.078) 6.427 10.168 ( 5.523 -1.231 -1.225) 5.790 10.237 ( 2.286 2.696 -5.005) 6.127 11.032 ( 8.253 9.859 -7.498) 14.884 11.169 ( 6.263 8.580 8.063) 13.336 11.593 ( -11.172 -7.199 6.022) 14.591 11.714 ( 3.131 4.019 -1.103) 5.212 11.725 ( -6.336 -4.450 -4.145) 8.783 11.923 ( 5.645 5.588 1.261) 8.043 12.137 ( -1.736 -7.153 9.578) 12.080 12.212 ( 0.653 -0.525 -10.162) 10.196 12.388 ( 5.303 -5.576 -7.706) 10.890 12.630 ( -2.469 7.645 -1.076) 8.106 12.766 ( 7.727 6.356 3.027) 10.453 13.035 ( 1.344 -4.277 14.104) 14.800 16.392 ( 0.347 -0.169 -4.160) 4.178 16.463 ( -0.752 1.499 0.770) 1.845 17.228 ( -2.445 -1.580 0.596) 2.971 17.287 ( -3.014 -2.599 8.061) 8.990 17.724 ( 9.412 -1.641 -5.997) 11.280 17.985 ( 7.785 1.945 7.824) 11.208 19.663 ( -5.661 -2.298 -17.266) 18.315 19.973 ( -8.867 -1.655 10.264) 13.664 ======================= Grid point 362 (183/215) ======================= q-point: ( 0.25 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 17.984 15.089 -6.397) 24.332 2.395 ( 10.443 11.397 -17.840) 23.605 2.818 ( 0.522 -0.263 15.346) 15.357 2.939 ( 2.096 8.164 4.105) 9.376 3.232 ( 3.831 -3.688 -5.954) 7.983 3.296 ( -4.043 -7.960 1.600) 9.070 3.344 ( 6.228 3.016 7.579) 10.263 3.465 ( -6.127 2.142 4.763) 8.051 3.626 ( 4.094 1.422 -1.787) 4.688 3.856 ( 13.344 8.634 -7.588) 17.612 3.999 ( -1.545 11.191 -3.706) 11.890 4.296 ( 1.909 0.786 1.044) 2.314 4.523 ( -7.814 -0.596 -0.544) 7.856 4.773 ( -3.397 -3.150 4.807) 6.676 5.002 ( -6.407 1.098 -4.019) 7.643 5.072 ( 1.474 0.816 1.418) 2.202 5.153 ( 3.018 2.563 -0.316) 3.972 5.268 ( 2.353 0.777 3.655) 4.416 5.411 ( -2.286 -1.847 2.919) 4.142 5.607 ( -3.307 3.825 -4.123) 6.524 5.753 ( -5.261 -1.304 1.143) 5.539 6.047 ( 0.417 -1.485 -2.048) 2.564 6.364 ( -1.006 1.696 -3.033) 3.618 6.695 ( -1.778 5.931 1.053) 6.281 6.837 ( -2.206 0.104 -0.429) 2.250 6.868 ( -0.448 -4.649 3.241) 5.685 7.233 ( 1.725 6.759 1.853) 7.217 7.489 ( 2.355 -1.482 0.405) 2.812 7.648 ( 0.422 2.974 -0.979) 3.159 7.774 ( 4.128 -1.602 0.897) 4.518 8.860 ( -5.863 -3.416 -3.366) 7.575 9.218 ( 2.637 3.285 3.580) 5.528 9.280 ( -1.939 -6.638 1.740) 7.131 9.325 ( -5.645 -4.670 2.408) 7.712 9.499 ( -0.557 1.366 -7.172) 7.322 9.802 ( -6.463 -8.592 0.755) 10.778 9.913 ( -3.734 -4.852 -1.097) 6.220 10.016 ( 0.073 0.464 -5.796) 5.815 10.197 ( 2.274 -1.943 -8.202) 8.730 10.218 ( 0.566 -1.038 1.193) 1.679 11.015 ( 2.128 0.585 -11.856) 12.059 11.285 ( -2.987 -4.088 -9.137) 10.446 11.422 ( -3.775 -3.201 1.991) 5.335 11.704 ( 1.548 3.625 -1.082) 4.087 11.781 ( 4.742 2.314 8.737) 10.207 12.023 ( 4.305 5.329 4.357) 8.119 12.119 ( -1.680 -3.534 -4.012) 5.604 12.193 ( -0.521 0.488 1.719) 1.861 12.475 ( 8.274 -3.656 3.706) 9.776 12.617 ( 1.908 9.357 0.067) 9.550 12.941 ( 9.026 8.730 3.511) 13.039 13.186 ( -0.813 -4.334 11.510) 12.326 16.347 ( 0.648 -1.145 -5.155) 5.320 16.440 ( -1.720 -0.851 -1.042) 2.184 17.284 ( 2.448 4.317 8.095) 9.495 17.382 ( 0.035 0.244 12.544) 12.546 17.757 ( 2.730 4.527 -5.307) 7.491 18.148 ( 1.877 10.280 7.409) 12.809 19.383 ( -2.977 -9.654 -19.322) 21.803 19.903 ( -9.389 -9.659 3.480) 13.912 ======================= Grid point 363 (184/215) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 15.585 10.830 -10.909) 21.890 2.421 ( 15.837 14.576 1.350) 21.566 2.926 ( -3.128 1.311 7.113) 7.881 3.032 ( -0.197 6.159 8.081) 10.163 3.176 ( -0.875 -8.268 -5.347) 9.885 3.247 ( -3.917 -5.705 2.491) 7.355 3.408 ( -1.538 4.530 1.248) 4.944 3.497 ( 1.930 4.691 5.779) 7.690 3.703 ( 5.688 0.345 -3.182) 6.527 3.955 ( -0.793 9.000 -1.531) 9.164 3.985 ( 4.583 11.955 -0.767) 12.827 4.230 ( -4.934 4.367 -3.596) 7.506 4.450 ( 1.612 -4.351 -3.818) 6.009 4.773 ( -3.275 -5.428 2.304) 6.745 4.844 ( -4.177 2.404 -2.582) 5.468 5.125 ( 3.375 1.279 0.507) 3.644 5.226 ( 6.573 2.833 -0.211) 7.160 5.374 ( 2.091 0.463 6.231) 6.589 5.442 ( 1.889 -0.781 -0.011) 2.044 5.544 ( 0.777 4.573 -1.936) 5.027 5.681 ( -4.936 -0.427 0.698) 5.003 5.983 ( -3.444 -0.613 -5.945) 6.898 6.346 ( 1.759 3.279 1.200) 3.910 6.670 ( -2.424 6.539 1.521) 7.138 6.779 ( -5.093 0.877 0.860) 5.239 6.916 ( 0.350 -2.884 4.626) 5.462 7.252 ( -0.588 5.535 -0.490) 5.588 7.487 ( -2.182 -1.953 -0.870) 3.055 7.678 ( 3.517 2.176 -0.178) 4.140 7.842 ( 3.115 -2.163 -0.199) 3.798 8.766 ( -2.114 -5.116 -1.226) 5.670 9.207 ( -5.690 -8.181 0.775) 9.996 9.240 ( -4.650 -5.190 2.405) 7.372 9.367 ( 2.449 0.682 -0.045) 2.543 9.410 ( 0.799 -4.400 -5.779) 7.307 9.682 ( -6.618 -6.103 -0.716) 9.031 9.869 ( -1.906 -5.489 2.521) 6.334 9.998 ( 4.496 -3.437 -4.689) 7.350 10.132 ( 0.400 -4.907 -6.253) 7.958 10.231 ( -1.499 0.199 2.649) 3.050 10.848 ( -5.588 -8.478 -11.544) 15.374 10.944 ( -10.817 -15.169 -19.228) 26.774 11.534 ( 8.516 7.110 0.551) 11.107 11.682 ( 0.035 1.965 -1.131) 2.268 11.986 ( 0.310 2.036 3.005) 3.643 12.058 ( 0.004 2.690 2.490) 3.665 12.156 ( 6.705 5.426 3.207) 9.202 12.248 ( 5.163 2.603 6.554) 8.740 12.598 ( 0.535 7.818 3.866) 8.738 12.747 ( 8.648 0.559 6.131) 10.616 13.114 ( 8.041 10.573 2.803) 13.575 13.265 ( -2.064 -1.272 7.175) 7.574 16.302 ( 0.875 -2.002 -4.870) 5.338 16.392 ( -2.108 -2.603 -1.963) 3.882 17.436 ( 1.434 6.445 10.922) 12.763 17.535 ( 1.719 8.467 8.929) 12.425 17.728 ( -1.151 5.284 2.286) 5.871 18.210 ( -4.186 14.807 7.490) 17.113 19.170 ( 4.248 -16.515 -19.336) 25.781 19.755 ( -9.384 -15.157 -3.168) 18.106 ======================= Grid point 364 (185/215) ======================= q-point: ( 0.42 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 13.215 7.397 -5.757) 16.202 2.754 ( 10.550 7.581 7.596) 15.049 2.874 ( -3.804 2.924 -0.349) 4.810 3.089 ( 1.683 0.215 1.658) 2.372 3.145 ( -2.039 -7.225 3.613) 8.332 3.258 ( -1.208 3.341 5.654) 6.677 3.431 ( 1.467 4.118 2.184) 4.887 3.540 ( -0.792 5.475 0.582) 5.562 3.704 ( 1.248 -1.114 -7.181) 7.373 3.779 ( -13.508 2.682 -4.340) 14.439 4.032 ( 1.455 11.659 3.442) 12.243 4.233 ( 4.095 3.136 -0.668) 5.201 4.423 ( 1.622 7.016 -5.058) 8.800 4.643 ( -5.422 2.676 -5.244) 8.004 4.921 ( 3.256 -4.307 8.718) 10.255 5.186 ( 2.984 -0.509 -0.052) 3.028 5.349 ( 9.519 2.784 -1.467) 10.025 5.432 ( -1.173 1.378 1.607) 2.421 5.456 ( 1.211 -2.129 1.273) 2.760 5.564 ( 3.479 6.870 -3.064) 8.288 5.620 ( -3.937 -2.100 1.008) 4.575 5.827 ( -6.150 1.103 -6.395) 8.941 6.448 ( 6.778 3.482 2.422) 7.995 6.631 ( -6.103 9.083 1.886) 11.104 6.740 ( -0.923 1.371 4.420) 4.719 6.990 ( 2.302 -0.651 5.112) 5.644 7.198 ( -3.268 3.694 -3.543) 6.072 7.409 ( -5.150 -1.066 -2.479) 5.814 7.731 ( 3.409 1.296 -0.552) 3.689 7.851 ( -0.389 -1.547 -2.131) 2.662 8.780 ( 2.775 -6.582 3.058) 7.770 9.142 ( -6.127 -9.753 3.199) 11.954 9.155 ( -5.444 -5.698 -1.755) 8.074 9.277 ( -1.488 -6.038 -6.458) 8.965 9.473 ( 5.458 -8.535 -1.060) 10.187 9.600 ( -2.688 -5.892 -1.239) 6.593 9.898 ( -0.043 -8.293 4.052) 9.230 10.039 ( 5.624 -1.021 -3.947) 6.946 10.093 ( 0.714 -5.100 -1.704) 5.424 10.239 ( -2.800 -3.226 5.861) 7.253 10.558 ( -6.958 -12.861 -18.896) 23.893 10.647 ( -6.774 -12.964 -9.902) 17.663 11.647 ( 4.469 2.572 0.367) 5.169 11.714 ( 4.471 6.181 -0.026) 7.629 11.902 ( -6.888 -3.075 0.920) 7.599 12.049 ( 1.107 9.244 -7.255) 11.803 12.359 ( 6.855 9.005 7.697) 13.686 12.455 ( 6.642 0.698 9.500) 11.613 12.641 ( 0.163 9.603 4.721) 10.702 12.907 ( 2.425 -1.079 4.128) 4.908 13.250 ( 6.127 12.612 0.999) 14.057 13.296 ( -1.805 5.690 4.558) 7.510 16.272 ( 1.297 -2.833 -3.282) 4.525 16.334 ( -2.239 -3.472 -2.127) 4.647 17.516 ( -3.359 9.845 5.610) 11.819 17.574 ( 0.307 15.730 -0.485) 15.741 17.861 ( 3.549 1.309 13.926) 14.430 18.202 ( -6.701 9.070 7.370) 13.472 19.108 ( 11.479 -17.266 -14.026) 25.032 19.534 ( -11.016 -16.386 -7.345) 21.067 ======================= Grid point 365 (186/215) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -5.611 2.802 2.824) 6.878 2.696 ( 6.236 4.759 -4.931) 9.266 3.039 ( 3.351 -0.390 5.865) 6.766 3.113 ( -2.062 -4.606 0.394) 5.062 3.201 ( -2.283 5.662 4.016) 7.308 3.260 ( 1.730 1.819 1.761) 3.066 3.487 ( 3.247 -0.375 0.958) 3.406 3.513 ( -2.886 5.499 0.157) 6.213 3.563 ( -2.301 -0.151 -1.265) 2.630 3.638 ( 0.396 1.857 -8.543) 8.751 4.109 ( 1.477 10.933 6.026) 12.571 4.228 ( -0.123 7.927 -5.869) 9.864 4.444 ( 2.668 7.478 2.042) 8.198 4.511 ( -4.387 6.747 -4.228) 9.091 5.074 ( 3.125 -3.362 7.927) 9.160 5.179 ( -2.129 -2.590 -2.747) 4.335 5.400 ( -3.837 1.307 1.216) 4.232 5.445 ( 2.533 -1.164 -1.811) 3.325 5.515 ( 3.677 0.337 0.214) 3.699 5.539 ( -4.049 -1.533 -1.371) 4.541 5.610 ( -0.012 5.271 2.402) 5.793 5.690 ( 0.300 2.168 -5.001) 5.459 6.542 ( -5.295 8.304 1.544) 9.968 6.567 ( 5.925 6.347 -0.937) 8.734 6.848 ( 3.080 3.817 8.639) 9.934 7.025 ( -0.511 2.537 -8.675) 9.053 7.155 ( -0.756 -0.988 8.268) 8.361 7.294 ( -1.723 0.580 -5.145) 5.457 7.772 ( 1.115 0.714 0.561) 1.438 7.800 ( -1.479 -0.411 -2.470) 2.908 8.909 ( 6.610 -7.273 5.500) 11.263 9.007 ( -6.591 -6.489 -4.084) 10.110 9.116 ( -3.966 -10.317 4.290) 11.857 9.228 ( 4.754 -9.614 -6.869) 12.737 9.515 ( -2.851 -7.318 1.958) 8.094 9.569 ( 3.525 -8.734 -3.519) 10.054 9.955 ( 2.897 -8.575 2.442) 9.375 10.037 ( 0.303 -2.956 -6.474) 7.123 10.100 ( -3.060 -6.580 7.069) 10.130 10.304 ( 0.255 -14.266 -13.442) 19.603 10.312 ( 0.371 -3.471 8.054) 8.778 10.462 ( -3.704 -10.135 -7.589) 13.192 11.695 ( -1.555 0.685 3.150) 3.579 11.760 ( 2.071 0.932 -3.116) 3.856 11.853 ( -0.922 6.297 3.610) 7.317 11.975 ( 1.384 6.420 -7.990) 10.343 12.485 ( -2.802 8.833 7.170) 11.717 12.571 ( 3.738 7.030 -1.629) 8.127 12.772 ( 4.015 2.535 9.740) 10.836 12.903 ( -1.838 0.020 -3.517) 3.968 13.298 ( -4.448 12.526 3.438) 13.730 13.329 ( 2.965 12.175 0.004) 12.530 16.273 ( 1.642 -3.338 -1.088) 3.876 16.278 ( -1.860 -3.583 -1.510) 4.310 17.521 ( -1.312 13.128 3.091) 13.551 17.570 ( 2.396 15.428 -2.083) 15.751 18.071 ( 4.135 -0.489 10.820) 11.593 18.165 ( -4.434 2.347 2.225) 5.488 19.206 ( 10.795 -15.583 -4.009) 19.377 19.252 ( -11.708 -14.625 -7.525) 20.189 ======================= Grid point 367 (187/215) ======================= q-point: (-0.42 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -15.319 7.343 1.075) 17.022 2.860 ( 2.616 3.876 0.672) 4.724 2.895 ( -9.176 6.560 -5.101) 12.380 3.067 ( -4.797 -4.819 1.719) 7.013 3.185 ( 2.938 -5.813 1.160) 6.616 3.376 ( -0.290 7.348 -3.831) 8.292 3.463 ( 0.918 -3.248 0.030) 3.376 3.548 ( 3.055 3.867 -2.581) 5.563 3.593 ( 1.303 2.134 2.298) 3.396 3.681 ( 12.025 -0.224 4.770) 12.938 4.121 ( -4.411 15.595 -5.149) 17.005 4.205 ( 1.547 4.889 2.450) 5.684 4.373 ( -6.683 10.686 -0.059) 12.604 4.551 ( 4.200 3.341 3.954) 6.666 5.057 ( -5.748 -4.519 -4.275) 8.470 5.181 ( 0.716 -0.655 0.946) 1.355 5.303 ( -8.795 2.459 2.571) 9.487 5.422 ( -3.389 -0.107 1.931) 3.902 5.473 ( 0.877 -3.467 -1.400) 3.841 5.559 ( -2.539 5.682 -1.800) 6.479 5.626 ( 5.109 -2.349 1.196) 5.749 5.756 ( 6.181 2.716 0.817) 6.800 6.470 ( -4.552 7.026 -0.284) 8.376 6.660 ( 6.242 6.357 -0.676) 8.935 6.848 ( -4.489 0.643 -5.181) 6.885 7.002 ( 1.334 3.427 1.560) 3.995 7.169 ( -0.011 2.769 1.257) 3.041 7.363 ( 8.439 -0.412 1.710) 8.621 7.729 ( -3.454 0.790 -0.479) 3.576 7.815 ( 1.171 0.602 1.284) 1.839 8.863 ( -4.194 -7.341 -5.087) 9.867 9.072 ( 1.788 -9.097 5.988) 11.037 9.141 ( 4.955 -7.996 3.200) 9.937 9.268 ( 8.333 -7.654 -5.027) 12.382 9.446 ( -6.709 -7.619 1.183) 10.221 9.607 ( 4.459 -7.510 -2.169) 8.999 9.952 ( -2.374 -5.586 -2.004) 6.392 9.992 ( -1.279 -4.222 -1.712) 4.732 10.160 ( -3.323 0.870 -6.084) 6.987 10.223 ( 5.499 -20.468 13.287) 25.014 10.357 ( -1.104 -2.086 -3.772) 4.450 10.484 ( 6.933 -13.063 6.993) 16.359 11.647 ( -5.756 4.789 0.368) 7.497 11.741 ( -1.158 0.017 -1.989) 2.301 11.903 ( -0.745 8.609 5.398) 10.189 11.960 ( 6.417 -0.340 -4.741) 7.985 12.424 ( -9.188 6.689 1.121) 11.420 12.598 ( 2.235 7.902 -4.099) 9.178 12.744 ( -6.104 5.652 -5.032) 9.722 12.948 ( 4.210 0.660 0.243) 4.269 13.226 ( -8.079 14.288 2.844) 16.658 13.342 ( -0.605 6.578 -0.325) 6.614 16.240 ( -1.589 -2.867 0.054) 3.278 16.304 ( 2.208 -3.218 0.717) 3.968 17.534 ( 1.220 13.767 0.524) 13.831 17.633 ( 7.061 14.319 -2.854) 16.218 18.068 ( -3.419 1.569 -4.755) 6.063 18.256 ( 6.627 -1.565 2.913) 7.406 18.945 ( -17.376 -13.099 0.414) 21.764 19.412 ( 11.799 -15.289 3.527) 19.632 ======================= Grid point 368 (188/215) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -15.301 11.950 5.339) 20.135 2.512 ( -21.329 14.074 -5.064) 26.051 3.010 ( 0.968 4.916 -2.319) 5.522 3.028 ( 0.973 -6.182 4.866) 7.927 3.223 ( 2.340 -3.543 -4.047) 5.865 3.311 ( 0.833 -3.000 -2.890) 4.248 3.430 ( -0.332 0.522 -4.082) 4.128 3.582 ( 3.211 3.925 -2.788) 5.787 3.619 ( -3.871 4.196 4.002) 6.972 3.917 ( -7.647 10.834 0.943) 13.294 3.977 ( 3.116 10.507 2.471) 11.234 4.175 ( -0.205 1.240 0.629) 1.406 4.365 ( -0.250 4.229 4.901) 6.478 4.686 ( 6.691 0.825 5.296) 8.573 4.928 ( -2.773 -4.333 -4.904) 7.108 5.136 ( -3.073 2.879 -0.818) 4.290 5.240 ( -2.336 0.806 -1.056) 2.687 5.436 ( -0.697 -4.876 -0.925) 5.011 5.462 ( 0.178 2.774 4.716) 5.475 5.491 ( -2.585 5.249 -3.621) 6.881 5.713 ( 5.868 -2.718 -1.459) 6.630 5.884 ( 6.102 0.139 3.971) 7.282 6.382 ( -4.210 4.527 -2.110) 6.532 6.716 ( 1.677 3.959 -3.073) 5.285 6.783 ( 1.537 0.394 0.574) 1.687 6.976 ( -2.198 0.780 -1.726) 2.902 7.234 ( 3.103 6.254 1.632) 7.169 7.485 ( 5.038 -1.307 -0.409) 5.221 7.675 ( -2.686 2.703 -0.257) 3.819 7.832 ( -1.363 -0.035 1.078) 1.738 8.780 ( -0.120 -5.981 -2.755) 6.586 9.134 ( 0.189 -8.198 6.484) 10.454 9.281 ( 4.912 -3.754 0.801) 6.234 9.352 ( -1.699 -6.407 -0.199) 6.632 9.372 ( 6.264 -4.796 -1.892) 8.113 9.674 ( 6.590 -6.590 -0.588) 9.338 9.909 ( -3.199 -5.446 1.944) 6.608 9.941 ( -1.052 -5.168 -3.166) 6.151 10.062 ( -3.541 1.529 0.240) 3.864 10.300 ( -0.381 -1.602 -3.414) 3.790 10.554 ( 11.755 -17.496 17.995) 27.715 10.674 ( 5.048 -8.984 9.183) 13.803 11.549 ( -5.025 5.514 -1.478) 7.605 11.696 ( -0.914 0.818 -2.096) 2.428 11.938 ( -4.210 5.476 7.617) 10.283 12.028 ( 4.087 1.157 -1.838) 4.628 12.258 ( -7.601 2.664 -4.006) 8.995 12.479 ( -4.125 5.028 -12.833) 14.387 12.648 ( -1.695 9.692 -1.323) 9.928 12.887 ( -6.203 3.929 -7.141) 10.243 13.127 ( -8.317 12.544 1.555) 15.131 13.341 ( 1.809 -3.493 -0.657) 3.988 16.231 ( -1.034 -1.642 2.157) 2.901 16.354 ( 2.212 -2.502 1.727) 3.759 17.576 ( 2.523 12.091 0.612) 12.367 17.651 ( 2.527 9.263 -9.929) 13.812 17.943 ( 0.595 1.681 -14.052) 14.165 18.331 ( 2.853 7.150 -4.662) 9.000 18.795 ( -11.037 -14.911 17.795) 25.706 19.648 ( 10.482 -14.840 6.662) 19.352 ======================= Grid point 369 (189/215) ======================= q-point: (-0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -17.982 15.879 6.105) 24.754 2.148 ( -17.974 18.522 2.994) 25.982 2.942 ( -4.936 6.892 -1.120) 8.551 3.094 ( -1.228 -5.853 5.420) 8.071 3.156 ( -0.112 -1.715 -11.089) 11.221 3.318 ( -2.411 -4.239 1.371) 5.066 3.400 ( -0.047 0.317 -1.015) 1.065 3.549 ( -7.632 4.420 5.042) 10.159 3.593 ( 2.884 8.067 -4.546) 9.699 3.712 ( -11.352 8.613 1.159) 14.297 3.989 ( -0.402 10.275 -0.708) 10.307 4.316 ( 3.273 6.664 0.699) 7.457 4.445 ( 6.919 -9.908 5.908) 13.452 4.858 ( 2.992 -4.855 -3.019) 6.453 4.883 ( 5.833 1.506 5.767) 8.340 5.099 ( -2.048 2.679 0.881) 3.486 5.189 ( 0.842 1.298 -5.091) 5.321 5.378 ( -3.011 2.736 -6.313) 7.511 5.440 ( 1.512 -2.569 0.313) 2.997 5.536 ( 3.316 2.175 2.401) 4.636 5.790 ( 6.387 -3.369 -1.970) 7.485 5.998 ( 2.440 -1.485 2.670) 3.910 6.328 ( -0.862 2.378 0.508) 2.580 6.708 ( 0.928 2.977 -0.675) 3.190 6.827 ( 0.724 -0.266 1.521) 1.705 6.922 ( -1.791 -1.322 -2.246) 3.162 7.266 ( 0.318 7.707 -0.863) 7.762 7.506 ( -0.358 -2.133 -1.934) 2.901 7.639 ( -1.468 3.997 -0.347) 4.272 7.792 ( -3.296 -0.493 -0.714) 3.408 8.811 ( 4.924 -3.029 1.285) 5.922 9.238 ( -3.587 -0.563 5.141) 6.294 9.248 ( 0.838 -0.779 3.665) 3.839 9.367 ( 2.907 -5.607 -3.549) 7.245 9.454 ( 5.725 -2.777 -2.445) 6.817 9.805 ( 8.636 -7.846 0.558) 11.681 9.885 ( -2.677 -2.286 2.178) 4.139 9.920 ( 1.568 -3.802 0.491) 4.142 10.056 ( -2.658 -1.718 5.803) 6.610 10.260 ( -0.864 0.545 -2.007) 2.252 10.790 ( -3.678 3.145 10.974) 11.994 10.998 ( 15.347 -17.005 17.809) 29.015 11.486 ( 1.616 0.040 -3.461) 3.820 11.674 ( -0.570 0.813 -0.017) 0.993 11.896 ( -9.995 3.704 0.797) 10.689 11.983 ( -4.709 10.572 2.940) 11.941 12.183 ( -0.176 -1.261 -5.528) 5.672 12.288 ( 0.577 -1.105 -9.627) 9.707 12.586 ( -6.017 1.472 -4.106) 7.432 12.686 ( -3.450 8.241 -7.745) 11.824 12.986 ( -9.586 10.110 -0.894) 13.960 13.353 ( 2.647 -7.727 -5.255) 9.712 16.254 ( -0.566 -0.432 4.036) 4.098 16.408 ( 1.932 -1.324 1.974) 3.063 17.503 ( -2.345 6.581 -13.585) 15.276 17.600 ( 0.234 5.444 -3.106) 6.272 17.765 ( -2.503 -2.193 -12.803) 13.228 18.269 ( -2.869 10.415 -4.898) 11.861 18.972 ( 1.487 -9.021 22.989) 24.741 19.886 ( 10.937 -11.525 4.856) 16.614 ======================= Grid point 370 (190/215) ======================= q-point: (-0.17 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -15.469 20.259 6.676) 26.349 2.040 ( -15.730 13.102 18.457) 27.564 2.846 ( -4.535 5.941 -2.864) 8.004 2.978 ( -4.380 0.611 -11.704) 12.512 3.127 ( -2.704 -2.699 6.474) 7.517 3.282 ( -6.836 2.232 8.219) 10.921 3.320 ( -3.620 1.475 -8.262) 9.140 3.472 ( -7.026 3.831 0.268) 8.007 3.613 ( -2.917 4.442 2.672) 5.948 3.686 ( 11.463 2.615 -2.220) 11.966 4.008 ( 1.518 11.352 1.424) 11.541 4.279 ( -2.299 -6.979 -3.267) 8.041 4.619 ( 5.432 4.413 3.143) 7.672 4.823 ( -1.478 -3.536 -3.286) 5.049 5.065 ( 0.097 2.917 -0.721) 3.007 5.092 ( 6.514 -2.132 4.006) 7.939 5.132 ( -3.297 0.379 -1.106) 3.498 5.328 ( 7.813 2.369 -6.281) 10.301 5.496 ( 4.588 -0.518 0.752) 4.678 5.624 ( 4.799 -0.138 1.923) 5.172 5.866 ( 5.955 -4.125 -2.510) 7.667 6.018 ( -1.829 -2.146 1.051) 3.009 6.350 ( 0.474 -0.956 2.721) 2.923 6.713 ( -0.878 2.882 -1.207) 3.246 6.833 ( -1.699 -1.743 2.106) 3.218 6.870 ( -1.757 -2.688 -1.476) 3.534 7.232 ( -1.077 8.227 -2.807) 8.759 7.453 ( -3.105 -1.064 -1.709) 3.700 7.625 ( -1.430 3.440 2.388) 4.425 7.742 ( -0.833 1.235 -1.630) 2.208 8.935 ( 5.600 -1.219 3.032) 6.484 9.170 ( -2.043 6.631 0.941) 7.002 9.338 ( 2.200 -4.353 -3.096) 5.777 9.431 ( 6.284 1.195 7.176) 9.613 9.508 ( 5.115 -3.691 -3.629) 7.277 9.854 ( -2.793 -5.763 1.649) 6.613 9.913 ( 0.671 -3.726 1.556) 4.093 10.002 ( 4.565 -2.700 3.401) 6.300 10.081 ( -3.652 0.948 7.761) 8.630 10.222 ( -1.552 -0.910 -1.600) 2.408 10.778 ( -12.706 13.469 12.350) 22.258 11.331 ( 6.745 -4.678 0.156) 8.210 11.567 ( 11.737 -8.470 2.474) 14.684 11.657 ( -2.496 3.478 1.702) 4.606 11.773 ( -1.163 1.511 -1.979) 2.749 11.966 ( -4.182 7.378 1.544) 8.620 12.071 ( -1.705 0.868 -1.111) 2.212 12.284 ( -0.903 -4.810 0.645) 4.936 12.373 ( -4.531 -4.895 -11.139) 12.983 12.649 ( 2.653 6.921 -2.803) 7.924 12.821 ( -7.727 8.744 -2.421) 11.918 13.289 ( 0.624 -8.707 -11.135) 14.149 16.299 ( -0.255 0.550 4.959) 4.996 16.455 ( 1.353 0.356 1.421) 1.994 17.328 ( -1.348 2.508 -9.793) 10.199 17.500 ( 0.677 -2.548 -12.157) 12.440 17.635 ( -7.811 -2.435 1.894) 8.398 18.129 ( -6.606 3.733 -7.120) 10.405 19.284 ( 4.912 -0.430 21.846) 22.395 20.084 ( 10.554 -5.707 -1.051) 12.044 ======================= Grid point 371 (191/215) ======================= q-point: (-0.08 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -2.329 13.903 20.433) 24.824 2.025 ( -14.022 8.813 22.084) 27.604 2.670 ( -4.702 0.802 -13.625) 14.436 2.888 ( 0.666 5.414 1.401) 5.632 3.048 ( -3.685 2.665 -19.470) 19.994 3.196 ( -2.825 -6.249 0.545) 6.879 3.286 ( -3.933 -1.389 2.715) 4.978 3.361 ( -3.173 -0.904 0.448) 3.330 3.650 ( -0.300 12.578 9.461) 15.742 3.846 ( 8.633 2.229 -0.721) 8.945 4.044 ( 0.458 9.862 2.275) 10.131 4.226 ( -0.735 -5.234 -1.414) 5.472 4.675 ( 0.062 11.515 -2.512) 11.786 4.732 ( -2.458 -1.591 -4.792) 5.616 5.020 ( -1.261 3.460 -1.638) 4.031 5.058 ( -3.837 1.466 1.479) 4.366 5.272 ( 4.470 -2.363 5.890) 7.763 5.425 ( 11.309 0.832 -7.060) 13.358 5.601 ( 4.879 0.238 4.568) 6.688 5.727 ( 6.095 -1.908 0.630) 6.418 5.901 ( 1.535 -4.224 -2.788) 5.289 5.981 ( -3.497 -3.900 -0.225) 5.243 6.392 ( 0.732 -4.828 3.159) 5.816 6.630 ( -3.433 -1.249 -4.965) 6.164 6.817 ( -1.080 -0.937 -0.018) 1.430 6.851 ( -3.241 -2.327 3.225) 5.130 7.222 ( 3.197 6.955 -0.681) 7.685 7.384 ( -3.778 0.984 -0.670) 3.961 7.638 ( -1.527 4.323 3.348) 5.677 7.721 ( 0.624 2.669 -2.402) 3.644 9.001 ( -0.394 -1.592 4.405) 4.700 9.253 ( 5.922 4.627 3.312) 8.213 9.344 ( 5.271 -2.548 -5.349) 7.930 9.522 ( 2.567 -1.521 -5.412) 6.180 9.621 ( 7.205 2.588 5.442) 9.393 9.815 ( -3.269 -5.169 2.291) 6.531 9.892 ( -4.355 -4.254 0.283) 6.094 10.036 ( -6.068 2.489 2.573) 7.045 10.135 ( 1.479 0.644 4.374) 4.662 10.199 ( -0.989 -0.566 3.387) 3.573 10.727 ( -11.680 16.869 15.430) 25.672 11.289 ( 4.096 5.849 -15.030) 16.640 11.628 ( -3.314 4.518 3.180) 6.443 11.780 ( 1.212 -1.791 -0.882) 2.336 11.804 ( 7.814 -7.737 2.510) 11.279 11.879 ( -0.662 5.660 -4.091) 7.015 12.137 ( 0.738 -1.176 7.417) 7.546 12.199 ( -2.786 -4.271 -1.321) 5.267 12.281 ( -1.351 -4.852 -2.889) 5.806 12.650 ( -1.844 4.487 0.731) 4.906 12.746 ( 3.876 4.804 -4.457) 7.613 13.125 ( -2.390 -7.744 -15.370) 17.375 16.352 ( -0.051 1.454 4.850) 5.064 16.475 ( 0.282 1.956 -0.263) 1.994 17.293 ( 5.017 -3.599 -0.472) 6.192 17.427 ( 5.152 -5.474 -8.263) 11.171 17.517 ( -10.431 -5.426 3.170) 12.178 17.903 ( -9.967 -2.878 -9.317) 13.943 19.586 ( 3.157 4.996 20.065) 20.917 20.173 ( 6.366 -0.044 -7.774) 10.048 ======================= Grid point 372 (192/215) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.678 8.886 15.880) 18.210 2.289 ( 2.073 9.065 14.084) 16.876 2.531 ( 0.748 3.208 -11.535) 11.996 2.657 ( -5.009 -2.176 -22.085) 22.750 2.956 ( -1.947 -8.728 4.764) 10.133 3.063 ( 2.860 -5.336 -3.461) 6.974 3.136 ( 0.877 -5.508 -3.490) 6.579 3.165 ( -0.134 -2.328 -4.111) 4.726 3.911 ( -0.789 1.895 2.374) 3.138 3.933 ( 1.173 0.396 0.083) 1.241 4.249 ( 1.573 3.493 6.531) 7.572 4.334 ( -1.824 4.567 -1.857) 5.257 4.846 ( 0.377 16.443 5.894) 17.471 4.906 ( -1.950 6.419 0.198) 6.712 5.081 ( 1.234 3.289 3.090) 4.678 5.118 ( -0.530 5.752 -0.613) 5.809 5.319 ( -4.556 1.081 7.880) 9.167 5.483 ( 3.861 4.014 -7.494) 9.336 5.684 ( -5.113 -3.230 3.867) 7.178 5.763 ( 5.981 -4.755 -3.783) 8.526 5.835 ( 4.375 0.728 0.571) 4.471 5.864 ( -1.987 1.451 -2.916) 3.815 6.312 ( -0.520 -5.067 3.959) 6.452 6.408 ( -2.703 -5.617 -5.772) 8.495 6.805 ( -1.264 -0.595 1.849) 2.317 6.841 ( 3.886 -0.613 -1.824) 4.336 7.388 ( -2.330 4.815 2.007) 5.713 7.415 ( 1.843 5.522 -0.743) 5.869 7.751 ( -2.283 5.156 3.148) 6.459 7.790 ( 0.903 4.014 -0.835) 4.198 8.989 ( 0.329 -4.393 4.361) 6.198 9.119 ( -1.095 -8.163 -8.291) 11.687 9.455 ( -0.122 1.369 2.485) 2.840 9.526 ( 2.665 -0.307 -4.470) 5.214 9.589 ( -0.308 -8.031 1.248) 8.133 9.626 ( -1.218 -9.186 -2.366) 9.564 9.934 ( 1.587 4.597 3.020) 5.725 9.982 ( -2.090 3.266 -1.829) 4.287 10.313 ( 0.145 5.598 8.350) 10.054 10.345 ( 1.962 5.128 4.698) 7.226 11.072 ( -7.624 13.229 12.839) 19.949 11.343 ( 4.472 4.800 -13.375) 14.897 11.615 ( -4.636 -3.837 6.383) 8.773 11.701 ( 2.084 -5.889 -1.895) 6.528 11.840 ( -0.259 3.404 3.626) 4.980 11.931 ( 2.022 4.351 -6.062) 7.731 12.081 ( -5.556 -0.928 -0.597) 5.665 12.152 ( 8.430 -2.266 -7.099) 11.252 12.327 ( 5.021 -2.432 12.384) 13.582 12.563 ( -4.031 -5.004 -11.108) 12.833 12.863 ( 2.641 4.168 -0.864) 5.009 12.875 ( -3.377 2.296 -2.441) 4.758 16.465 ( 0.985 3.641 3.796) 5.351 16.514 ( -1.244 2.815 -0.967) 3.226 17.259 ( -2.194 -7.420 2.332) 8.081 17.301 ( 4.617 -8.238 -0.798) 9.477 17.342 ( 3.692 -4.077 -0.221) 5.505 17.477 ( -5.596 -6.476 -12.267) 14.958 19.963 ( 0.090 6.779 13.540) 15.142 20.157 ( -0.745 1.091 -6.366) 6.501 ======================= Grid point 373 (193/215) ======================= q-point: ( 0.08 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.160 6.213 -14.876) 16.122 2.433 ( 2.090 6.622 12.470) 14.273 2.495 ( 10.253 3.716 -11.509) 15.855 2.653 ( 14.197 1.584 16.902) 22.130 2.992 ( -0.192 -8.654 3.069) 9.184 3.043 ( 0.798 -5.105 -2.626) 5.796 3.142 ( 5.375 -4.759 -3.058) 7.803 3.206 ( 5.389 -2.708 0.841) 6.090 3.884 ( -4.521 1.403 -0.413) 4.751 3.915 ( -2.128 1.180 -0.749) 2.546 4.246 ( -3.259 3.438 -2.499) 5.357 4.331 ( -0.023 3.828 2.713) 4.692 4.809 ( -6.117 8.882 0.567) 10.800 4.951 ( 3.004 12.172 0.565) 12.550 5.094 ( 0.056 4.615 -3.474) 5.777 5.120 ( -0.097 2.340 1.820) 2.966 5.273 ( -10.442 4.134 6.506) 12.979 5.420 ( -1.060 4.492 -5.722) 7.352 5.556 ( -12.183 -3.351 1.450) 12.718 5.768 ( 0.512 -3.249 -1.654) 3.682 5.824 ( 0.852 2.373 -1.928) 3.174 5.952 ( 5.788 -1.295 -1.455) 6.106 6.344 ( 1.888 -4.235 0.353) 4.650 6.440 ( 6.415 -4.908 3.982) 9.006 6.806 ( 0.185 0.283 0.425) 0.543 6.872 ( 3.604 -2.496 -4.335) 6.165 7.355 ( -3.082 7.222 1.563) 8.007 7.448 ( 2.251 3.783 -0.683) 4.455 7.739 ( -2.883 4.107 2.617) 5.660 7.785 ( -0.579 4.116 -0.927) 4.259 9.002 ( -2.220 -5.070 -1.769) 5.810 9.091 ( 2.381 -6.776 3.461) 7.972 9.384 ( -8.470 1.925 -0.096) 8.687 9.486 ( -2.734 1.708 -2.095) 3.845 9.590 ( -0.686 -6.108 0.514) 6.168 9.632 ( 1.301 -10.385 0.252) 10.469 9.940 ( -0.376 3.198 -2.597) 4.136 9.995 ( 1.891 -0.624 3.574) 4.091 10.321 ( -3.770 4.085 -2.066) 5.930 10.373 ( 0.031 5.002 -3.504) 6.107 11.144 ( -3.753 9.647 15.084) 18.294 11.293 ( 6.049 6.865 -8.098) 12.218 11.560 ( -8.620 -3.172 3.533) 9.841 11.675 ( -3.526 -7.791 -2.587) 8.934 11.869 ( -0.119 3.824 1.039) 3.964 11.923 ( 4.671 4.555 -3.844) 7.573 12.017 ( -3.349 -0.786 2.966) 4.542 12.215 ( 7.906 -2.332 -6.189) 10.308 12.379 ( -0.983 -2.859 -11.885) 12.264 12.565 ( 6.985 -4.776 10.798) 13.719 12.822 ( -1.578 6.259 0.621) 6.484 12.909 ( 2.991 3.406 1.324) 4.722 16.459 ( -2.368 2.043 -1.764) 3.590 16.511 ( -0.557 2.960 1.582) 3.402 17.206 ( -2.415 -3.336 0.521) 4.151 17.260 ( -2.400 -2.627 -2.181) 4.174 17.469 ( 12.636 -6.754 -5.544) 15.363 17.571 ( 14.125 -10.228 8.293) 19.311 19.987 ( -8.638 3.488 -9.164) 13.067 20.034 ( -7.725 3.141 9.049) 12.305 ======================= Grid point 374 (194/215) ======================= q-point: ( 0.17 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 8.287 12.258 -8.803) 17.217 2.551 ( 12.433 6.818 -9.990) 17.345 2.652 ( 4.963 4.667 11.755) 13.587 2.977 ( 4.276 -0.697 1.588) 4.615 3.057 ( 1.304 -12.029 5.402) 13.251 3.130 ( 12.035 2.624 10.836) 16.406 3.176 ( 6.284 -5.459 -8.035) 11.569 3.342 ( 5.739 -1.967 5.791) 8.387 3.765 ( -6.577 1.988 -2.942) 7.475 3.879 ( -0.624 -0.061 0.000) 0.627 4.192 ( -0.914 3.023 -1.517) 3.504 4.325 ( -0.350 6.457 -0.997) 6.543 4.716 ( -7.479 4.462 1.885) 8.911 4.939 ( -4.413 10.042 -6.347) 12.673 5.036 ( -0.824 -3.193 -0.906) 3.420 5.104 ( -4.052 0.556 1.826) 4.479 5.210 ( -1.221 6.598 1.746) 6.934 5.341 ( -2.379 5.019 -4.355) 7.058 5.421 ( -6.539 -0.434 3.346) 7.358 5.733 ( -2.527 0.168 -1.588) 2.989 5.809 ( -0.630 1.652 -1.389) 2.249 6.001 ( 3.004 -1.708 -1.097) 3.625 6.388 ( 2.916 -0.201 -1.057) 3.108 6.596 ( 5.503 -5.043 4.868) 8.911 6.827 ( 1.524 0.026 0.506) 1.606 6.849 ( -0.062 -2.813 -4.717) 5.493 7.351 ( 0.132 8.042 2.524) 8.430 7.470 ( 1.764 2.566 -0.825) 3.222 7.725 ( -1.706 1.975 1.241) 2.890 7.754 ( -2.052 3.273 0.179) 3.867 8.945 ( -4.455 -2.356 -1.380) 5.226 9.146 ( -0.550 -6.937 2.252) 7.314 9.271 ( -4.862 4.347 1.759) 6.755 9.385 ( -7.988 0.544 0.401) 8.017 9.587 ( -0.369 -2.358 -0.576) 2.455 9.631 ( -0.924 -10.232 -0.409) 10.282 9.893 ( -2.105 -0.233 -3.106) 3.760 10.090 ( 3.168 -3.498 5.564) 7.296 10.174 ( -6.765 0.441 -7.263) 9.935 10.275 ( -2.895 0.341 -8.401) 8.893 11.172 ( -5.500 2.230 -3.727) 7.008 11.357 ( 8.801 8.033 -3.988) 12.566 11.455 ( -10.374 -5.865 -4.559) 12.760 11.579 ( -3.111 -3.798 12.787) 13.697 11.865 ( 2.401 5.234 -6.064) 8.363 11.976 ( 1.737 -0.821 3.120) 3.664 12.044 ( 0.095 -0.023 5.096) 5.097 12.244 ( 5.519 3.003 -3.939) 7.416 12.322 ( 6.354 0.178 -6.679) 9.220 12.716 ( 1.149 -1.804 2.695) 3.440 12.899 ( 6.871 6.116 7.200) 11.682 12.999 ( 3.918 1.846 5.231) 6.791 16.396 ( -1.882 0.667 -3.288) 3.846 16.485 ( -3.227 0.217 -0.601) 3.290 17.247 ( 4.164 3.588 5.234) 7.590 17.275 ( 1.510 1.667 4.870) 5.364 17.631 ( 14.232 -6.666 -5.345) 16.600 17.904 ( 14.951 -9.164 8.589) 19.526 19.679 ( -13.851 3.622 -12.994) 19.335 19.938 ( -14.269 -1.955 5.215) 15.317 ======================= Grid point 375 (195/215) ======================= q-point: ( 0.25 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 14.057 12.279 -3.311) 18.957 2.627 ( 9.928 12.447 -8.171) 17.896 2.832 ( 1.900 1.842 9.960) 10.306 3.044 ( 1.350 -2.681 2.421) 3.856 3.097 ( 0.685 -9.894 -0.757) 9.946 3.160 ( 2.719 1.379 -4.796) 5.683 3.394 ( 7.568 1.085 1.602) 7.812 3.481 ( 1.453 0.066 9.979) 10.084 3.671 ( -0.086 1.824 -3.629) 4.063 3.955 ( 7.590 -1.715 4.207) 8.846 4.150 ( -2.190 5.760 -0.808) 6.215 4.378 ( 9.021 4.647 -1.118) 10.209 4.563 ( -14.061 2.574 -1.132) 14.340 4.753 ( -7.792 1.244 -2.370) 8.239 5.023 ( -4.507 1.333 -1.088) 4.825 5.077 ( 1.442 -0.786 0.747) 1.805 5.232 ( 2.521 4.958 -0.214) 5.567 5.311 ( 2.192 4.769 1.196) 5.384 5.396 ( 0.188 0.066 -0.038) 0.203 5.667 ( -3.718 2.484 -0.613) 4.513 5.780 ( -0.538 2.885 -2.256) 3.701 6.015 ( 0.297 -1.577 -1.830) 2.434 6.406 ( 1.573 2.534 -1.542) 3.358 6.707 ( 2.142 -4.753 4.378) 6.808 6.781 ( -2.630 -1.521 -2.183) 3.741 6.850 ( 0.173 -0.336 1.142) 1.203 7.391 ( -0.153 7.517 2.570) 7.946 7.487 ( 1.468 1.201 -1.313) 2.307 7.710 ( -0.590 2.535 0.621) 2.675 7.755 ( 0.390 0.136 2.342) 2.378 8.812 ( -7.655 -0.956 -3.034) 8.290 9.130 ( -2.727 -7.884 0.580) 8.362 9.211 ( -8.187 -1.190 1.056) 8.340 9.303 ( -1.375 0.881 -0.102) 1.636 9.566 ( -4.519 -2.163 -1.316) 5.180 9.588 ( -1.227 -7.513 -0.224) 7.616 9.792 ( -6.127 -3.470 -2.980) 7.646 10.002 ( -3.323 -1.228 -6.349) 7.270 10.109 ( -4.899 -4.335 -4.195) 7.771 10.217 ( 2.755 -1.184 3.431) 4.556 10.944 ( -8.954 -5.279 -12.324) 16.122 11.082 ( -10.894 -10.554 -21.064) 25.958 11.541 ( 8.763 8.631 3.378) 12.755 11.756 ( 0.817 0.926 2.383) 2.684 11.848 ( 6.180 3.922 6.709) 9.929 11.997 ( -2.520 -4.910 -0.048) 5.519 12.145 ( 4.826 6.465 8.677) 11.848 12.315 ( 5.669 7.922 -5.427) 11.151 12.436 ( 9.821 -0.657 6.268) 11.670 12.740 ( -0.792 0.527 2.991) 3.139 13.115 ( 9.746 6.986 5.906) 13.367 13.144 ( 4.868 1.729 7.960) 9.490 16.328 ( -1.410 -0.538 -4.121) 4.389 16.413 ( -3.771 -1.823 -1.717) 4.527 17.392 ( 3.526 4.512 8.675) 10.395 17.438 ( 7.258 7.096 10.656) 14.717 17.772 ( 10.601 -2.922 -5.806) 12.435 18.217 ( 12.740 -4.996 7.553) 15.630 19.277 ( -15.873 0.922 -15.786) 22.405 19.718 ( -16.606 -8.032 0.608) 18.457 ======================= Grid point 376 (196/215) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 9.984 6.780 -8.792) 14.932 2.746 ( 9.882 15.670 3.316) 18.820 2.923 ( -1.272 -0.298 4.690) 4.868 3.021 ( -1.965 -6.637 -2.305) 7.295 3.047 ( -0.381 -6.064 -5.374) 8.112 3.239 ( 2.808 5.219 7.796) 9.793 3.483 ( 4.116 3.239 0.840) 5.304 3.591 ( 0.622 3.787 4.562) 5.961 3.670 ( 3.866 -2.952 -1.990) 5.256 4.001 ( -5.963 -5.679 -4.681) 9.472 4.235 ( 8.332 8.765 4.924) 13.057 4.301 ( -9.902 7.642 -2.209) 12.702 4.550 ( 7.703 8.299 1.461) 11.417 4.652 ( -3.837 -5.413 2.222) 6.998 4.929 ( -3.489 5.190 -1.313) 6.390 5.120 ( 1.703 -1.416 1.407) 2.624 5.300 ( 6.928 4.029 -1.585) 8.169 5.373 ( 2.595 1.223 0.779) 2.973 5.440 ( 4.313 0.159 1.234) 4.489 5.607 ( -3.256 2.380 -0.317) 4.046 5.737 ( -0.606 3.851 -3.722) 5.390 5.956 ( -3.156 -1.728 -4.995) 6.156 6.433 ( 2.446 5.015 2.466) 6.100 6.731 ( -0.893 1.018 0.834) 1.590 6.780 ( -0.174 -2.901 3.490) 4.542 6.875 ( -0.037 -0.986 4.539) 4.645 7.379 ( -3.823 6.197 0.642) 7.309 7.468 ( -1.791 0.513 -1.785) 2.580 7.727 ( 1.118 2.039 0.792) 2.456 7.801 ( 1.526 -1.613 1.749) 2.827 8.684 ( -3.846 -2.075 -1.896) 4.764 9.059 ( -7.691 -7.757 0.198) 10.925 9.104 ( -3.603 -4.817 -0.856) 6.076 9.274 ( 0.600 -4.194 -3.464) 5.472 9.381 ( -11.559 -6.149 -5.156) 14.072 9.574 ( -2.795 -2.256 -1.059) 3.744 9.671 ( -6.513 -11.969 1.433) 13.701 9.918 ( -1.533 -6.309 -4.992) 8.189 10.045 ( 1.634 1.224 -0.258) 2.058 10.279 ( -0.264 2.558 2.775) 3.784 10.662 ( -7.768 -9.140 -14.042) 18.468 10.677 ( -7.522 -9.525 -21.996) 25.123 11.669 ( 2.344 4.098 -0.333) 4.733 11.744 ( 3.648 3.343 -0.795) 5.012 11.939 ( -0.529 -0.278 -2.462) 2.533 12.136 ( 9.937 0.180 11.769) 15.404 12.286 ( 3.172 8.119 -4.322) 9.729 12.380 ( 5.440 8.200 9.513) 13.686 12.669 ( 6.713 1.047 7.819) 10.359 12.772 ( -1.003 -1.449 6.410) 6.647 13.320 ( 6.763 6.888 7.280) 12.091 13.333 ( 9.161 9.095 5.666) 14.098 16.263 ( -0.823 -1.492 -4.055) 4.398 16.334 ( -3.403 -2.852 -1.962) 4.854 17.554 ( 2.769 5.120 10.090) 11.649 17.686 ( 7.818 7.863 10.932) 15.571 17.827 ( 3.865 2.206 -4.583) 6.389 18.465 ( 7.028 4.002 7.271) 10.876 18.856 ( -11.157 -8.090 -18.311) 22.918 19.453 ( -14.587 -13.294 -2.757) 19.927 ======================= Grid point 377 (197/215) ======================= q-point: ( 0.42 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 7.184 4.215 -5.260) 9.850 2.820 ( -6.954 -0.972 0.925) 7.082 2.960 ( 2.109 0.954 -0.736) 2.429 3.003 ( 0.459 -5.400 -0.190) 5.423 3.049 ( 9.570 2.379 -0.436) 9.871 3.382 ( 2.737 4.742 9.509) 10.972 3.526 ( 0.076 3.889 -2.557) 4.655 3.621 ( 0.864 2.128 -1.074) 2.536 3.690 ( -3.069 0.806 0.279) 3.186 3.782 ( -6.230 -1.363 -6.006) 8.760 4.225 ( -0.192 5.638 0.693) 5.683 4.329 ( -4.207 5.065 3.750) 7.577 4.630 ( 4.644 7.653 1.793) 9.130 4.722 ( 3.324 6.399 2.187) 7.535 4.918 ( 0.983 4.627 3.977) 6.180 5.155 ( 0.769 -1.788 0.803) 2.106 5.397 ( 4.460 1.973 0.236) 4.883 5.425 ( 6.409 1.083 -2.916) 7.124 5.483 ( 1.010 2.436 -2.487) 3.625 5.557 ( -3.175 -2.525 0.129) 4.058 5.695 ( 0.863 3.455 -3.037) 4.680 5.823 ( -5.681 -1.154 -4.617) 7.411 6.557 ( 6.273 6.702 6.156) 11.053 6.765 ( 2.168 1.271 4.095) 4.805 6.788 ( -1.196 4.702 0.612) 4.890 6.967 ( 2.131 -2.028 8.526) 9.020 7.278 ( -7.469 4.123 -2.919) 9.017 7.394 ( -4.010 0.112 -2.970) 4.992 7.753 ( 1.871 0.531 -0.400) 1.985 7.817 ( -1.176 -1.614 0.342) 2.026 8.667 ( 2.245 -3.796 1.313) 4.602 8.950 ( -6.421 -8.476 1.904) 10.802 9.030 ( -2.933 -5.455 -4.435) 7.618 9.135 ( -8.510 -7.735 -6.460) 13.190 9.289 ( 4.582 -7.425 -2.111) 8.976 9.474 ( -5.934 -4.833 -1.973) 7.903 9.630 ( -3.417 -15.711 4.187) 16.615 9.842 ( -3.191 -14.474 -1.004) 14.855 10.077 ( 4.110 2.874 -6.735) 8.398 10.220 ( -4.720 0.203 -8.609) 9.820 10.410 ( -0.677 -3.509 -8.344) 9.077 10.451 ( -4.183 -5.803 -6.661) 9.775 11.680 ( -0.116 1.807 1.805) 2.557 11.769 ( -0.990 -1.076 -0.179) 1.473 11.961 ( 5.468 7.925 -1.609) 9.762 12.223 ( 2.264 5.371 -10.581) 12.080 12.414 ( 7.598 0.490 10.441) 12.922 12.563 ( 0.887 6.037 10.051) 11.758 12.772 ( -0.126 3.202 5.595) 6.448 12.868 ( 1.716 -1.747 5.595) 6.107 13.504 ( 5.659 12.313 6.874) 15.194 13.527 ( 7.048 12.609 4.858) 15.240 16.217 ( 0.121 -2.216 -2.897) 3.650 16.264 ( -2.748 -3.133 -1.836) 4.554 17.674 ( -0.232 5.911 6.847) 9.048 17.815 ( 1.411 5.901 -2.362) 6.511 17.916 ( 5.720 4.821 9.219) 11.873 18.410 ( -12.687 7.794 -5.906) 16.018 18.747 ( 12.432 -14.375 -4.101) 19.443 19.203 ( -12.061 -14.411 -4.157) 19.247 ======================= Grid point 378 (198/215) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -4.939 0.383 2.882) 5.731 2.736 ( 6.488 -0.396 -6.061) 8.887 2.955 ( -2.295 -5.776 1.937) 6.510 3.003 ( 1.646 -5.150 -2.083) 5.794 3.239 ( 9.552 1.625 2.771) 10.077 3.337 ( -10.549 0.681 -7.600) 13.019 3.528 ( 2.257 4.441 8.505) 9.857 3.628 ( -0.647 3.452 -1.454) 3.801 3.648 ( -0.418 6.946 1.814) 7.191 3.711 ( -0.880 5.633 -3.954) 6.938 4.262 ( 1.851 3.234 1.670) 4.083 4.278 ( -2.147 -0.775 0.262) 2.297 4.710 ( 2.083 13.178 1.751) 13.456 4.740 ( -1.689 13.253 -0.315) 13.364 5.035 ( 3.689 0.432 7.263) 8.157 5.133 ( -3.340 -0.731 -1.886) 3.905 5.419 ( 0.376 0.565 0.384) 0.780 5.439 ( -1.445 1.421 -3.054) 3.665 5.491 ( -3.647 -1.402 -0.058) 3.908 5.515 ( 3.310 -0.762 -2.546) 4.245 5.688 ( -4.544 1.311 0.662) 4.775 5.723 ( 3.621 0.357 -2.405) 4.362 6.694 ( 2.027 6.751 4.176) 8.193 6.755 ( -0.938 9.269 -1.906) 9.509 6.926 ( 7.695 3.647 7.665) 11.457 7.081 ( -6.379 2.784 -8.223) 10.773 7.121 ( 0.887 -2.127 10.865) 11.106 7.290 ( -1.356 -0.905 -6.151) 6.363 7.779 ( 0.131 -0.176 0.227) 0.316 7.785 ( -0.469 -0.969 -0.612) 1.238 8.773 ( 5.288 -5.417 4.872) 9.002 8.882 ( -5.575 -5.184 -5.872) 9.615 8.909 ( -3.227 -8.922 4.021) 10.304 9.029 ( 4.299 -9.008 -7.734) 12.627 9.353 ( -0.954 -7.084 0.367) 7.158 9.377 ( 1.396 -8.210 -2.031) 8.572 9.659 ( 0.165 -16.599 6.494) 17.825 9.789 ( -0.428 -19.035 -4.224) 19.503 10.010 ( -2.573 -0.889 -5.365) 6.016 10.068 ( 2.433 -3.584 -9.280) 10.241 10.370 ( -1.475 2.030 0.471) 2.553 10.385 ( -0.635 -0.168 -0.623) 0.905 11.705 ( -1.030 1.288 3.567) 3.929 11.748 ( -0.841 0.140 0.087) 0.857 12.028 ( 3.641 7.798 -0.296) 8.611 12.122 ( -0.856 6.177 -8.959) 10.916 12.600 ( -5.949 1.779 5.014) 7.981 12.615 ( 7.008 -1.322 3.913) 8.134 12.846 ( 0.739 4.434 5.884) 7.404 12.908 ( -0.369 1.252 -0.089) 1.309 13.614 ( -0.997 15.661 4.396) 16.297 13.634 ( 0.835 14.967 2.073) 15.133 16.207 ( 1.235 -2.731 -1.009) 3.163 16.210 ( -1.546 -2.780 -1.197) 3.398 17.725 ( -0.275 6.161 4.758) 7.790 17.808 ( 1.640 6.159 -2.977) 7.034 18.071 ( 2.765 0.757 6.222) 6.850 18.205 ( -3.352 0.379 -6.139) 7.005 18.918 ( 7.598 -10.201 1.358) 12.792 18.976 ( -8.553 -10.432 -3.945) 14.055 ======================= Grid point 380 (199/215) ======================= q-point: (-0.42 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -8.736 4.491 1.324) 9.912 2.852 ( 9.695 -2.398 -2.731) 10.354 2.937 ( -1.507 -6.558 2.003) 7.021 3.020 ( 1.255 -4.877 -0.118) 5.037 3.077 ( -11.164 5.425 -4.797) 13.307 3.429 ( 5.694 -1.870 4.162) 7.297 3.540 ( -4.322 6.066 -4.383) 8.642 3.620 ( -0.362 2.798 1.391) 3.146 3.661 ( 0.777 3.156 0.861) 3.362 3.704 ( 3.445 4.698 2.335) 6.276 4.237 ( -1.329 0.596 -0.296) 1.486 4.358 ( 6.211 3.372 0.481) 7.084 4.672 ( -5.113 14.256 -2.179) 15.301 4.720 ( -4.142 11.989 1.695) 12.797 5.006 ( -5.227 1.438 -3.339) 6.367 5.162 ( 2.823 -0.705 1.680) 3.360 5.344 ( -10.297 1.442 1.307) 10.479 5.408 ( -2.939 -1.308 -0.444) 3.247 5.432 ( 0.964 1.813 2.162) 2.982 5.563 ( 4.064 -3.509 0.003) 5.369 5.652 ( -1.474 1.856 1.656) 2.891 5.786 ( 4.348 0.117 -0.160) 4.353 6.660 ( -4.805 10.729 -3.794) 12.353 6.773 ( 1.133 3.734 1.495) 4.178 6.857 ( -6.826 0.043 -5.117) 8.532 7.073 ( -1.236 3.155 -1.128) 3.571 7.231 ( 6.197 3.016 3.339) 7.658 7.331 ( 8.171 -2.598 1.461) 8.698 7.748 ( -1.496 0.894 0.032) 1.743 7.816 ( 1.596 -0.690 0.426) 1.790 8.726 ( -3.415 -5.199 -4.327) 7.577 8.912 ( 0.727 -5.445 6.143) 8.241 8.988 ( 8.116 -6.715 1.837) 10.693 9.077 ( 11.193 -10.741 -4.014) 16.024 9.275 ( -4.418 -6.706 -0.255) 8.035 9.453 ( 5.539 -6.238 -0.064) 8.343 9.721 ( 1.402 -16.565 -3.786) 17.050 9.795 ( 3.899 -15.833 3.183) 16.614 9.945 ( -0.166 -1.192 3.845) 4.029 10.100 ( 5.828 -5.438 -1.075) 8.043 10.366 ( -0.695 0.483 3.685) 3.781 10.372 ( -1.277 0.981 0.221) 1.626 11.709 ( -2.008 1.981 1.396) 3.148 11.748 ( -0.565 0.829 0.874) 1.331 12.010 ( -1.816 5.042 -6.520) 8.439 12.070 ( -0.507 5.464 3.451) 6.482 12.513 ( -7.824 2.746 -0.087) 8.292 12.702 ( 2.483 1.433 -3.309) 4.378 12.854 ( -2.880 4.140 -2.283) 5.536 12.918 ( 1.871 -1.095 0.861) 2.333 13.559 ( -8.602 15.998 0.577) 18.173 13.588 ( -7.257 13.979 -1.119) 15.790 16.187 ( -0.372 -1.991 0.199) 2.036 16.238 ( 2.545 -2.982 0.660) 3.976 17.739 ( -0.816 5.428 0.076) 5.489 17.847 ( 5.269 5.309 -3.532) 8.271 18.093 ( -0.882 0.068 -6.816) 6.873 18.210 ( 4.317 -3.198 8.451) 10.014 18.745 ( -12.372 -3.591 -1.149) 12.933 19.122 ( 10.961 -11.595 3.300) 16.293 ======================= Grid point 381 (200/215) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -8.723 9.789 3.868) 13.670 2.825 ( -13.482 15.223 -3.370) 20.612 2.907 ( -1.827 -3.800 4.896) 6.461 3.003 ( 8.063 -5.232 -3.958) 10.395 3.065 ( 4.405 -8.623 -2.105) 9.909 3.378 ( -5.958 5.469 -5.783) 9.942 3.477 ( -3.713 3.209 0.467) 4.930 3.593 ( -1.921 -0.827 0.375) 2.125 3.699 ( 0.080 1.907 -0.764) 2.056 3.875 ( 9.930 -7.229 7.335) 14.306 4.218 ( -3.018 3.784 1.605) 5.100 4.364 ( -6.378 17.375 -3.781) 18.891 4.579 ( -4.353 10.549 -1.503) 11.510 4.650 ( -0.633 -3.721 2.595) 4.580 4.931 ( -0.937 6.171 -1.224) 6.361 5.172 ( 1.310 0.557 -3.694) 3.959 5.257 ( -4.049 1.295 2.519) 4.941 5.348 ( -3.626 -2.664 1.555) 4.760 5.490 ( 1.614 0.662 -0.560) 1.832 5.582 ( -1.099 1.579 0.551) 2.001 5.685 ( 2.790 0.411 1.719) 3.302 5.871 ( 4.349 -1.178 3.361) 5.621 6.509 ( -5.905 7.257 -5.074) 10.644 6.754 ( -1.306 1.476 -1.490) 2.471 6.796 ( -1.144 -0.766 0.923) 1.658 6.991 ( -1.709 0.188 -5.887) 6.133 7.360 ( 3.487 5.100 3.377) 7.041 7.450 ( 4.999 -1.281 -0.406) 5.176 7.735 ( -0.131 2.626 -0.409) 2.661 7.825 ( -0.698 -0.590 -0.482) 1.033 8.682 ( 2.785 -2.810 -1.922) 4.398 9.023 ( 4.330 -2.828 6.915) 8.635 9.100 ( 8.086 -10.819 -3.251) 13.893 9.225 ( -1.201 -4.039 0.925) 4.314 9.295 ( 13.512 -6.187 2.671) 15.099 9.548 ( 5.131 -3.465 1.345) 6.336 9.713 ( 2.929 -13.401 -2.855) 14.011 9.827 ( -1.435 -4.756 3.314) 5.972 10.070 ( 3.085 -1.720 -2.794) 4.503 10.228 ( 8.432 -4.784 13.094) 16.292 10.351 ( -2.358 -1.806 3.162) 4.338 10.489 ( 8.161 -7.536 7.536) 13.423 11.676 ( -3.605 5.089 0.007) 6.236 11.725 ( -2.978 2.085 0.318) 3.649 11.945 ( 0.804 -0.583 -2.900) 3.065 12.087 ( -4.392 1.713 6.076) 7.690 12.364 ( -7.134 7.027 -4.598) 11.019 12.604 ( -4.011 5.626 -10.839) 12.853 12.770 ( -4.742 2.872 -2.825) 6.222 12.916 ( 1.039 -2.897 -6.250) 6.967 13.396 ( -10.542 12.104 -0.656) 16.065 13.408 ( -11.370 9.632 -2.325) 15.082 16.203 ( 0.788 -0.898 1.932) 2.271 16.297 ( 3.157 -2.858 1.687) 4.581 17.718 ( -2.102 2.827 -1.197) 3.720 17.812 ( -0.324 4.816 -8.719) 9.966 17.941 ( -3.541 -0.627 -13.945) 14.401 18.464 ( -1.269 -13.897 17.881) 22.682 18.581 ( 1.622 13.177 -0.733) 13.297 19.362 ( 13.124 -12.281 5.731) 18.866 ======================= Grid point 382 (201/215) ======================= q-point: (-0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -11.054 12.769 5.489) 17.759 2.570 ( -14.334 21.050 -2.164) 25.559 2.944 ( -1.437 -3.444 5.226) 6.422 3.030 ( 2.738 -3.306 -6.691) 7.950 3.112 ( 3.578 -10.737 -1.896) 11.475 3.212 ( -6.752 5.365 -5.295) 10.119 3.413 ( -3.428 0.872 -0.978) 3.670 3.575 ( -3.997 -1.387 3.729) 5.640 3.657 ( 1.540 0.328 -5.932) 6.137 4.004 ( -8.192 3.590 -0.196) 8.947 4.105 ( -2.144 3.371 4.280) 5.855 4.328 ( -4.823 5.979 2.770) 8.166 4.509 ( 5.421 7.560 1.830) 9.481 4.746 ( 4.502 -5.629 0.699) 7.241 4.952 ( 2.049 5.670 4.323) 7.419 5.143 ( 0.312 0.956 -4.280) 4.397 5.229 ( -0.790 3.415 -0.464) 3.536 5.361 ( 2.990 -2.572 -0.600) 3.989 5.416 ( -2.098 0.356 -4.767) 5.220 5.618 ( 0.410 4.318 3.911) 5.840 5.751 ( 3.353 -0.708 1.064) 3.588 5.966 ( 1.895 -1.541 2.942) 3.824 6.402 ( -3.041 4.746 -1.215) 5.766 6.744 ( 0.280 1.315 0.321) 1.382 6.773 ( -2.320 -4.546 0.058) 5.105 6.906 ( -1.179 -0.980 -5.006) 5.235 7.411 ( -0.782 4.684 2.120) 5.201 7.479 ( 0.854 0.655 -2.207) 2.455 7.717 ( -1.986 3.225 -0.084) 3.788 7.798 ( -0.065 1.072 -1.824) 2.117 8.767 ( 7.805 -0.884 1.035) 7.923 9.152 ( 4.505 -9.259 -0.850) 10.332 9.215 ( 7.088 -0.988 5.326) 8.921 9.255 ( 5.053 -1.040 -1.012) 5.257 9.511 ( 6.509 0.210 3.955) 7.619 9.611 ( 2.421 -6.482 -1.320) 7.044 9.759 ( 4.115 -7.496 1.224) 8.638 9.870 ( 2.086 -0.844 4.509) 5.040 10.044 ( -1.185 0.352 0.938) 1.552 10.281 ( -2.921 0.518 -1.994) 3.575 10.673 ( 16.301 -12.995 20.298) 29.096 10.742 ( 10.675 -6.494 9.047) 15.426 11.576 ( -7.449 7.882 -0.727) 10.870 11.707 ( 0.310 2.043 0.977) 2.285 11.928 ( -5.064 -0.808 1.107) 5.246 12.060 ( -0.207 -6.151 -2.327) 6.580 12.226 ( -5.247 11.654 -0.193) 12.782 12.382 ( -5.394 6.130 -13.455) 15.739 12.599 ( -9.487 0.852 -7.668) 12.228 12.837 ( -0.226 1.947 -6.853) 7.127 13.189 ( -11.748 8.636 -2.216) 14.748 13.255 ( -6.176 0.388 -2.383) 6.632 16.251 ( 1.483 0.323 3.368) 3.694 16.372 ( 3.361 -2.186 2.273) 4.608 17.601 ( -4.642 2.036 -9.468) 10.740 17.687 ( -5.336 4.436 -13.962) 15.592 17.705 ( -7.862 -2.816 -1.947) 8.575 18.330 ( -11.280 -7.146 -3.673) 13.849 18.942 ( 15.310 8.317 18.109) 25.130 19.662 ( 15.769 -10.106 5.907) 19.639 ======================= Grid point 383 (202/215) ======================= q-point: (-0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -10.019 17.151 2.434) 20.012 2.349 ( -16.042 18.109 7.304) 25.271 2.887 ( -3.421 -0.740 -9.563) 10.183 2.994 ( -3.604 -3.550 0.452) 5.078 3.076 ( -5.296 1.572 0.742) 5.574 3.128 ( 1.748 -10.896 -2.265) 11.266 3.323 ( -3.791 -0.467 -8.300) 9.137 3.470 ( -6.451 -2.850 -5.322) 8.836 3.715 ( 6.898 0.360 1.790) 7.135 3.868 ( -4.822 6.858 1.594) 8.534 4.138 ( -2.847 -1.774 3.104) 4.570 4.265 ( -0.831 10.953 3.140) 11.424 4.719 ( 6.863 1.765 4.201) 8.238 4.799 ( 2.712 1.456 5.187) 6.031 5.072 ( 4.872 0.580 5.261) 7.194 5.081 ( -1.485 0.227 -4.971) 5.193 5.196 ( -4.475 5.987 1.604) 7.645 5.369 ( 8.285 1.539 -6.018) 10.355 5.470 ( 8.155 -0.876 -1.288) 8.303 5.660 ( -1.142 2.869 4.699) 5.623 5.809 ( 3.568 -1.915 -0.412) 4.070 5.979 ( -2.899 -1.608 1.021) 3.469 6.367 ( -1.808 2.570 0.669) 3.213 6.695 ( -3.343 -4.464 -4.476) 7.151 6.776 ( -0.318 -1.375 2.785) 3.123 6.845 ( -1.851 -1.125 -1.496) 2.632 7.389 ( -2.258 5.887 -0.606) 6.335 7.452 ( -1.573 1.246 -0.236) 2.021 7.702 ( -0.787 4.171 2.427) 4.889 7.787 ( 1.024 2.455 -1.955) 3.301 8.911 ( 6.558 -1.081 1.569) 6.829 9.196 ( 3.752 -8.475 -2.287) 9.546 9.299 ( 2.347 4.719 -0.321) 5.280 9.409 ( 10.966 -1.183 -0.779) 11.057 9.550 ( -0.525 3.183 1.945) 3.767 9.650 ( 2.380 -9.946 -1.396) 10.321 9.842 ( 2.551 -1.250 2.606) 3.855 10.002 ( 4.874 0.947 7.909) 9.338 10.092 ( 0.119 -0.285 9.059) 9.064 10.182 ( -5.346 -2.488 -3.563) 6.889 10.981 ( 3.756 3.602 11.036) 12.202 11.150 ( 15.653 -10.816 15.024) 24.243 11.473 ( -0.613 2.122 -2.971) 3.702 11.748 ( -0.235 4.250 4.296) 6.047 11.795 ( -4.766 0.074 -5.636) 7.381 12.052 ( 1.030 -4.182 -2.601) 5.031 12.164 ( -3.448 8.655 -7.111) 11.720 12.201 ( -2.334 1.030 1.070) 2.767 12.343 ( -8.700 1.607 -9.840) 13.233 12.774 ( -0.342 2.486 -3.757) 4.518 12.991 ( -9.349 7.076 -2.693) 12.030 13.128 ( -4.394 -5.335 -6.055) 9.189 16.320 ( 1.798 1.539 4.093) 4.728 16.451 ( 3.106 -0.871 2.502) 4.082 17.403 ( -7.796 4.189 -8.591) 12.334 17.438 ( -4.149 -2.741 -10.931) 12.009 17.569 ( -8.839 -2.832 -0.812) 9.317 18.075 ( -11.535 -8.329 -9.333) 17.016 19.376 ( 12.896 8.787 18.153) 23.939 19.960 ( 14.303 -6.524 2.893) 15.985 ======================= Grid point 384 (203/215) ======================= q-point: (-0.08 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -3.610 16.963 7.400) 18.855 2.242 ( -11.742 12.193 13.274) 21.511 2.694 ( -4.143 1.388 -11.870) 12.649 2.917 ( -4.219 -3.076 -2.633) 5.848 3.020 ( -6.811 -9.646 -1.531) 11.907 3.100 ( -2.654 2.298 -12.044) 12.546 3.131 ( 2.977 -10.667 -3.754) 11.694 3.298 ( -5.642 -2.210 -7.104) 9.337 3.856 ( 6.472 -0.424 2.109) 6.821 3.877 ( 0.492 2.600 3.505) 4.392 4.157 ( -0.486 4.586 6.596) 8.048 4.328 ( 1.550 8.726 3.165) 9.410 4.776 ( 1.112 5.978 2.525) 6.584 4.926 ( -0.069 10.849 3.651) 11.447 5.028 ( -0.242 -1.330 1.848) 2.290 5.135 ( -1.665 3.516 0.560) 3.930 5.235 ( 3.492 0.579 6.981) 7.827 5.454 ( 8.950 1.970 -6.166) 11.046 5.607 ( 11.353 0.369 -1.956) 11.526 5.687 ( -1.628 -0.329 4.191) 4.508 5.850 ( 2.453 -1.072 -2.494) 3.659 5.918 ( -5.226 -2.630 1.565) 6.056 6.332 ( -3.458 -0.767 0.330) 3.558 6.557 ( -5.405 -4.658 -6.894) 9.922 6.795 ( -1.032 -1.590 2.798) 3.379 6.819 ( -0.151 -0.768 -0.079) 0.787 7.369 ( 0.627 6.296 0.258) 6.333 7.429 ( -1.827 3.144 0.685) 3.700 7.733 ( -0.431 4.686 3.708) 5.991 7.785 ( 1.056 3.157 -1.356) 3.594 8.967 ( 0.043 -1.747 0.421) 1.798 9.201 ( 1.798 -8.523 -5.848) 10.491 9.366 ( 5.758 3.348 1.640) 6.860 9.504 ( 4.754 -0.882 -3.252) 5.827 9.613 ( 2.629 -2.720 -0.725) 3.852 9.636 ( -0.156 -9.376 -0.580) 9.396 9.888 ( 0.205 4.010 2.579) 4.772 10.057 ( -4.649 -1.021 -2.713) 5.479 10.172 ( 2.669 3.704 11.009) 11.918 10.226 ( 1.631 1.985 10.563) 10.871 11.072 ( -7.471 15.107 11.626) 20.475 11.366 ( 6.809 0.297 -5.200) 8.573 11.586 ( 7.214 -9.486 4.966) 12.911 11.665 ( -2.062 -3.090 -2.665) 4.572 11.805 ( 1.252 5.174 1.491) 5.529 11.999 ( -0.683 1.891 -6.953) 7.238 12.118 ( 3.227 -0.390 -1.135) 3.443 12.160 ( -3.319 1.114 -3.273) 4.793 12.197 ( -1.529 -0.207 2.852) 3.242 12.715 ( -3.149 -0.993 -4.517) 5.595 12.863 ( -1.583 5.667 -2.782) 6.508 12.985 ( -4.180 -3.917 -6.360) 8.560 16.396 ( 1.822 2.725 4.150) 5.289 16.514 ( 1.342 1.315 1.472) 2.387 17.235 ( -2.819 -2.261 -2.712) 4.518 17.319 ( 0.335 -4.601 -5.725) 7.352 17.418 ( -7.819 -3.088 -1.594) 8.557 17.767 ( -11.239 -9.231 -12.442) 19.139 19.734 ( 7.493 8.621 16.310) 19.911 20.147 ( 7.829 -2.603 -1.880) 8.461 ======================= Grid point 385 (204/215) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 1.721 8.725 3.741) 9.648 2.475 ( -0.475 9.226 4.577) 10.310 2.574 ( -2.431 -1.231 -5.076) 5.761 2.608 ( -1.922 -2.036 -9.366) 9.776 2.783 ( -1.645 -5.563 0.012) 5.801 2.834 ( 4.450 -10.400 -5.341) 12.510 3.123 ( 0.826 0.715 -1.808) 2.112 3.143 ( -0.772 -1.186 -3.914) 4.162 3.927 ( 0.132 0.322 2.586) 2.609 3.933 ( 1.010 -0.251 2.165) 2.402 4.334 ( -0.710 3.874 3.842) 5.502 4.378 ( -1.869 -0.028 -0.576) 1.956 4.950 ( 0.026 1.171 2.812) 3.046 4.989 ( 0.394 -1.407 -1.063) 1.807 5.146 ( 0.956 2.505 2.357) 3.570 5.173 ( 0.988 -0.058 -0.372) 1.057 5.492 ( -4.952 10.496 11.572) 16.389 5.583 ( 0.690 1.019 4.545) 4.709 5.651 ( -0.568 2.010 -2.551) 3.297 5.712 ( 1.188 -1.120 -5.864) 6.087 5.858 ( 4.497 1.390 2.206) 5.198 5.882 ( 1.510 -0.176 0.173) 1.530 6.242 ( -2.336 -0.812 -0.655) 2.558 6.297 ( -2.922 -4.951 -5.458) 7.927 6.802 ( 0.891 0.451 0.409) 1.079 6.821 ( 2.562 -1.140 -1.468) 3.165 7.480 ( -0.925 3.281 2.013) 3.959 7.498 ( 0.436 1.814 0.249) 1.882 7.843 ( -1.505 3.004 2.504) 4.190 7.855 ( -0.102 1.760 1.214) 2.140 8.914 ( 0.145 -1.879 -1.044) 2.155 8.956 ( -0.529 -6.079 -4.970) 7.870 9.404 ( 0.805 -3.044 0.819) 3.254 9.424 ( -1.862 -4.789 -1.360) 5.315 9.537 ( 1.075 0.604 -1.539) 1.972 9.554 ( 1.003 -0.569 -3.175) 3.378 10.028 ( -0.500 3.343 1.720) 3.792 10.045 ( -0.733 1.781 0.075) 1.927 10.406 ( 0.094 2.901 8.492) 8.974 10.420 ( 2.147 1.677 6.839) 7.361 11.272 ( -6.323 5.548 3.971) 9.302 11.349 ( -2.142 -2.911 -3.113) 4.770 11.564 ( 1.987 0.363 4.285) 4.737 11.609 ( 2.550 -2.870 -0.123) 3.841 11.927 ( -1.966 3.899 2.456) 5.010 11.976 ( 1.167 -0.443 -1.572) 2.007 12.081 ( -0.415 0.921 -3.475) 3.619 12.111 ( 5.557 -1.780 -5.759) 8.198 12.328 ( 1.673 2.868 3.031) 4.496 12.432 ( -2.537 -6.492 -7.134) 9.973 12.933 ( -0.757 2.032 -0.111) 2.171 12.933 ( 0.774 2.045 -0.169) 2.193 16.540 ( 1.020 2.953 3.113) 4.410 16.561 ( -0.944 1.077 1.164) 1.846 17.127 ( 1.502 -3.591 0.936) 4.003 17.146 ( -1.318 -5.242 -1.190) 5.535 17.317 ( 0.234 0.846 -4.695) 4.776 17.368 ( -0.405 -3.955 -9.758) 10.537 20.085 ( -0.039 4.663 7.234) 8.607 20.151 ( -0.589 -1.704 0.376) 1.842 ======================= Grid point 386 (205/215) ======================= q-point: ( 0.08 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 1.600 6.457 -4.647) 8.115 2.558 ( 4.261 3.207 1.927) 5.671 2.597 ( 7.715 4.864 3.178) 9.658 2.651 ( 9.823 -2.324 5.799) 11.641 2.793 ( 3.232 -4.352 0.508) 5.445 2.880 ( 8.190 -9.110 -4.938) 13.208 3.128 ( 2.509 1.449 -0.232) 2.906 3.167 ( 4.380 -2.090 1.314) 5.028 3.907 ( -3.739 0.885 -1.298) 4.055 3.921 ( -2.706 -0.380 -1.411) 3.076 4.326 ( -3.236 3.517 0.871) 4.858 4.367 ( -1.493 -0.122 3.126) 3.466 4.913 ( -5.220 3.006 -0.031) 6.024 4.983 ( -1.144 -3.479 -0.364) 3.681 5.149 ( -1.720 1.000 -1.754) 2.652 5.157 ( -0.920 0.450 -2.245) 2.468 5.451 ( -8.910 6.202 2.961) 11.253 5.502 ( -8.788 0.003 2.092) 9.033 5.620 ( -2.591 9.281 -4.496) 10.633 5.735 ( 1.136 -0.822 2.040) 2.475 5.865 ( 1.005 1.883 -2.938) 3.631 5.917 ( 3.664 -2.346 -2.677) 5.108 6.290 ( 5.641 -0.288 2.747) 6.281 6.341 ( 7.037 -4.406 3.636) 9.064 6.810 ( 0.998 0.380 -1.345) 1.717 6.829 ( 1.887 -1.502 -3.534) 4.278 7.478 ( -1.134 3.938 0.983) 4.215 7.505 ( 0.518 1.176 -0.393) 1.344 7.823 ( -3.559 3.229 1.600) 5.065 7.845 ( -2.374 1.275 0.388) 2.723 8.915 ( 0.348 -2.210 -0.235) 2.249 8.951 ( 2.274 -5.495 1.481) 6.129 9.380 ( -2.299 -0.396 0.146) 2.338 9.436 ( 0.915 -6.144 1.526) 6.397 9.519 ( -1.714 1.242 -1.983) 2.900 9.537 ( -0.446 -0.899 -0.500) 1.121 10.005 ( -3.400 2.184 0.239) 4.048 10.015 ( -3.320 1.330 1.665) 3.945 10.389 ( -6.596 2.678 -2.527) 7.555 10.425 ( -4.393 -0.087 -3.432) 5.576 11.271 ( -3.630 3.635 8.140) 9.625 11.345 ( 0.607 -2.247 5.777) 6.229 11.553 ( -2.788 0.761 -3.814) 4.785 11.557 ( -4.674 -1.351 -4.878) 6.889 11.912 ( -2.591 1.553 2.722) 4.066 11.948 ( -1.923 -1.493 -0.384) 2.465 12.084 ( 4.709 4.957 -3.609) 7.731 12.164 ( 7.247 -2.824 -4.633) 9.053 12.370 ( 3.113 2.040 -3.689) 5.240 12.452 ( 6.110 -5.339 5.618) 9.869 12.934 ( 1.238 3.769 0.435) 3.991 12.962 ( 2.788 0.997 0.192) 2.967 16.509 ( -4.162 2.571 -1.067) 5.007 16.545 ( -3.358 -0.231 0.221) 3.373 17.184 ( 7.883 2.271 0.703) 8.233 17.247 ( 8.268 -0.217 -1.237) 8.363 17.342 ( 6.854 -4.929 -1.924) 8.659 17.371 ( 7.599 -6.949 4.760) 11.344 20.051 ( -9.565 2.288 -3.233) 10.353 20.072 ( -8.950 0.400 3.030) 9.457 ======================= Grid point 387 (206/215) ======================= q-point: ( 0.17 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 5.981 10.641 -1.224) 12.268 2.686 ( 6.880 1.453 3.900) 8.041 2.777 ( 8.330 6.111 4.205) 11.154 2.805 ( 3.428 -7.055 3.012) 8.402 2.917 ( 8.583 -2.729 -3.278) 9.584 3.016 ( 13.719 -7.887 -1.685) 15.914 3.232 ( 8.166 3.642 5.463) 10.478 3.293 ( 6.760 -2.528 5.077) 8.824 3.801 ( -4.726 1.619 -3.675) 6.202 3.841 ( -3.028 -2.337 -2.704) 4.684 4.292 ( -2.358 4.973 1.168) 5.627 4.363 ( -2.616 -1.434 2.726) 4.041 4.803 ( -7.307 4.249 -1.800) 8.642 4.909 ( -6.485 -5.761 -3.434) 9.330 5.075 ( -2.298 2.490 -2.121) 3.997 5.107 ( -2.971 -0.697 -0.936) 3.192 5.353 ( -4.716 4.359 0.507) 6.442 5.414 ( -3.854 -1.442 -0.169) 4.118 5.528 ( -1.960 12.108 -2.899) 12.603 5.714 ( -2.789 -4.391 -0.528) 5.228 5.870 ( 2.093 4.674 -2.088) 5.530 5.958 ( 3.232 -2.967 -1.206) 4.550 6.408 ( 4.596 2.411 1.662) 5.449 6.488 ( 4.976 -4.916 3.724) 7.925 6.809 ( 0.831 -0.595 -2.909) 3.083 6.816 ( 1.126 -0.964 -1.349) 2.004 7.481 ( 0.641 3.890 0.771) 4.017 7.510 ( 1.340 0.746 -1.122) 1.900 7.779 ( -4.000 2.587 1.920) 5.136 7.800 ( -3.705 0.845 1.122) 3.962 8.913 ( -1.536 0.310 -0.497) 1.644 8.991 ( 0.209 -6.860 0.493) 6.881 9.344 ( -3.791 3.131 0.148) 4.919 9.435 ( -4.796 1.318 0.618) 5.012 9.445 ( -3.692 -4.113 -0.649) 5.565 9.522 ( -3.211 -3.689 2.857) 5.664 9.951 ( -2.363 4.175 -0.127) 4.799 10.024 ( 1.227 -2.920 4.338) 5.371 10.182 ( -10.698 1.316 -6.805) 12.747 10.240 ( -9.373 -3.323 -7.578) 12.503 11.186 ( -9.006 1.467 -9.215) 12.968 11.274 ( -8.729 -6.962 -13.891) 17.822 11.529 ( 4.984 5.356 5.269) 9.016 11.580 ( 2.423 0.379 12.493) 12.732 11.903 ( -0.108 0.497 -1.915) 1.981 11.930 ( -0.049 -2.193 0.046) 2.194 12.138 ( 5.067 6.053 1.004) 7.957 12.236 ( 7.017 -3.027 -0.742) 7.678 12.427 ( 5.790 7.712 -1.278) 9.728 12.594 ( 3.788 -7.937 3.744) 9.559 13.012 ( 5.895 3.958 4.633) 8.479 13.044 ( 5.916 0.918 2.925) 6.663 16.422 ( -3.984 1.881 -2.455) 5.044 16.465 ( -4.783 -1.879 -1.728) 5.422 17.339 ( 7.665 5.234 1.561) 9.412 17.398 ( 7.924 9.340 8.116) 14.694 17.480 ( 14.845 -6.660 -3.652) 16.676 17.656 ( 15.435 -13.250 8.089) 21.891 19.782 ( -16.684 5.429 -6.869) 18.842 19.880 ( -16.484 -3.785 -0.636) 16.925 ======================= Grid point 388 (207/215) ======================= q-point: ( 0.25 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 7.932 9.820 -1.708) 12.739 2.829 ( 4.649 -6.119 2.835) 8.191 2.865 ( 2.306 1.514 2.136) 3.489 2.934 ( 5.105 2.380 1.393) 5.802 2.982 ( 5.227 2.622 -3.317) 6.723 3.153 ( 4.696 -5.564 2.009) 7.553 3.435 ( 8.488 3.602 1.559) 9.351 3.484 ( 8.427 -0.448 5.194) 9.909 3.708 ( -1.748 2.847 -3.665) 4.959 3.826 ( 2.590 -7.917 0.980) 8.387 4.289 ( 1.014 6.411 2.321) 6.893 4.391 ( 3.318 -2.919 4.071) 6.008 4.635 ( -9.928 4.868 -3.293) 11.537 4.737 ( -8.270 -3.711 -4.159) 9.973 5.045 ( -3.224 0.731 2.104) 3.918 5.059 ( -1.562 -0.703 1.159) 2.068 5.322 ( 1.493 3.499 -1.207) 3.991 5.377 ( 1.268 -1.647 -2.382) 3.161 5.505 ( 1.302 10.965 -1.415) 11.133 5.672 ( -1.389 -3.913 -1.250) 4.336 5.863 ( 0.164 5.528 -2.645) 6.130 5.968 ( -0.123 -3.618 -1.914) 4.095 6.476 ( 2.645 4.335 1.326) 5.248 6.585 ( 2.679 -5.953 3.847) 7.577 6.780 ( -1.369 1.032 -1.008) 1.989 6.817 ( -0.097 -2.246 0.055) 2.248 7.506 ( 0.398 2.983 0.540) 3.058 7.519 ( 1.506 1.177 -1.878) 2.679 7.752 ( -2.177 1.686 2.575) 3.770 7.768 ( -2.906 0.340 3.012) 4.199 8.833 ( -5.517 3.386 -3.189) 7.216 8.958 ( -2.763 -8.070 -2.437) 8.871 9.230 ( -9.194 3.304 -0.337) 9.775 9.350 ( -6.997 2.342 1.940) 7.630 9.359 ( -5.861 -7.174 -2.539) 9.605 9.475 ( -6.211 -7.433 1.463) 9.797 9.865 ( -9.623 6.524 -5.028) 12.667 9.978 ( -9.014 -3.412 -5.599) 11.146 10.053 ( 0.598 1.787 1.127) 2.196 10.150 ( 5.002 -5.082 6.018) 9.331 10.869 ( -9.593 -1.085 -17.974) 20.403 10.912 ( -9.583 -5.292 -21.916) 24.498 11.686 ( 4.243 4.758 5.373) 8.337 11.748 ( 1.004 -1.592 4.555) 4.929 11.914 ( 6.358 1.915 1.725) 6.861 11.936 ( 2.953 -1.142 -1.616) 3.555 12.288 ( 6.716 6.516 8.180) 12.429 12.389 ( 8.318 -2.704 3.684) 9.491 12.497 ( 4.097 7.608 1.601) 8.788 12.655 ( 0.145 -6.966 2.825) 7.519 13.210 ( 8.862 3.130 7.962) 12.317 13.222 ( 9.667 2.295 6.535) 11.892 16.332 ( -3.378 1.055 -3.119) 4.717 16.368 ( -4.374 -2.215 -2.331) 5.429 17.494 ( 7.701 5.956 4.263) 10.627 17.605 ( 7.766 0.392 6.117) 9.893 17.716 ( 15.586 6.048 0.063) 16.719 17.988 ( 15.479 -14.544 5.998) 22.071 19.390 ( -20.832 7.991 -8.765) 23.972 19.558 ( -20.305 -7.807 -3.318) 22.006 ======================= Grid point 389 (208/215) ======================= q-point: ( 0.33 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 4.358 6.999 -4.661) 9.471 2.841 ( -1.466 -7.344 -2.441) 7.877 2.928 ( 1.434 -0.007 0.092) 1.437 2.956 ( 1.828 -2.492 -5.570) 6.370 3.066 ( 5.242 12.453 4.455) 14.227 3.258 ( 2.001 -4.799 7.540) 9.159 3.568 ( 7.514 4.336 0.813) 8.714 3.619 ( 4.866 -1.619 -1.153) 5.256 3.662 ( -0.359 4.404 0.228) 4.425 3.819 ( -2.419 -9.632 -4.884) 11.067 4.389 ( 1.291 7.035 0.191) 7.155 4.477 ( -7.673 4.434 4.744) 10.052 4.548 ( 6.311 -2.097 2.310) 7.040 4.617 ( 2.479 -2.231 4.283) 5.428 5.023 ( -2.789 3.202 3.486) 5.493 5.077 ( -0.413 -2.412 3.469) 4.245 5.368 ( 6.626 2.486 -2.913) 7.653 5.405 ( 6.133 -0.734 -3.165) 6.941 5.513 ( 0.821 7.691 -0.977) 7.796 5.631 ( -1.640 -2.009 -1.888) 3.207 5.809 ( -1.816 4.321 -4.876) 6.763 5.905 ( -3.258 -3.687 -4.581) 6.723 6.551 ( 3.322 6.294 5.038) 8.720 6.682 ( 2.973 -5.881 6.116) 8.991 6.764 ( -0.622 2.464 1.838) 3.136 6.829 ( -0.019 -3.310 2.727) 4.289 7.479 ( -3.905 2.892 -0.594) 4.896 7.495 ( -1.869 1.089 -2.558) 3.350 7.758 ( -0.844 1.116 1.800) 2.280 7.777 ( -0.450 -0.823 2.516) 2.685 8.706 ( -4.881 4.534 -2.732) 7.200 8.863 ( -4.748 -9.726 -2.810) 11.182 9.087 ( -7.667 2.740 -0.732) 8.175 9.201 ( -9.820 -7.187 -3.047) 12.545 9.255 ( -4.595 1.277 -1.602) 5.031 9.382 ( -6.504 -10.466 1.731) 12.444 9.641 ( -9.864 4.222 -5.074) 11.869 9.763 ( -9.528 -7.249 -4.396) 12.754 10.156 ( 6.359 7.484 0.241) 9.824 10.287 ( 4.004 -3.221 4.529) 6.850 10.516 ( -6.326 -2.969 -22.806) 23.852 10.541 ( -7.454 -4.188 -16.330) 18.433 11.721 ( -0.869 1.742 -0.421) 1.992 11.755 ( -0.783 -1.413 0.054) 1.616 12.017 ( 8.614 5.552 -1.387) 10.341 12.107 ( 9.443 -2.790 3.611) 10.488 12.448 ( 1.179 6.919 2.634) 7.497 12.513 ( 4.379 2.746 6.459) 8.273 12.670 ( 6.859 -0.752 9.709) 11.911 12.696 ( 0.561 -3.813 5.701) 6.881 13.457 ( 9.963 4.638 9.356) 14.432 13.472 ( 10.331 3.371 8.782) 13.972 16.250 ( -2.453 0.388 -3.102) 3.973 16.279 ( -3.487 -2.259 -2.327) 4.762 17.663 ( 6.436 5.580 4.811) 9.783 17.772 ( 8.044 -3.799 0.386) 8.904 17.929 ( 8.749 12.787 2.492) 15.693 18.250 ( 11.790 -16.745 0.124) 20.480 18.968 ( -19.543 11.464 -6.047) 23.450 19.204 ( -18.228 -11.173 -2.987) 21.588 ======================= Grid point 390 (209/215) ======================= q-point: ( 0.42 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 1.101 4.220 -3.602) 5.656 2.764 ( -4.009 -4.012 -2.363) 6.145 2.912 ( 0.580 -1.334 -4.216) 4.460 2.925 ( 1.939 -2.328 -4.613) 5.519 3.198 ( 5.100 8.185 2.487) 9.959 3.353 ( 0.302 -6.124 3.466) 7.043 3.599 ( -0.640 3.905 -1.800) 4.347 3.670 ( 0.094 -2.425 -0.885) 2.583 3.705 ( 3.308 4.254 2.505) 5.943 3.766 ( 2.150 -1.226 1.921) 3.133 4.312 ( -3.067 3.380 -2.797) 5.353 4.363 ( -7.842 -1.177 -0.218) 7.932 4.751 ( 8.187 5.048 7.670) 12.302 4.810 ( 6.314 0.301 6.307) 8.930 5.037 ( -1.341 4.793 5.080) 7.112 5.112 ( 0.019 -2.691 3.207) 4.186 5.437 ( 4.180 1.483 -2.334) 5.012 5.475 ( 2.745 -2.186 -1.127) 3.686 5.512 ( 3.788 6.612 -2.896) 8.152 5.585 ( 0.746 2.111 -4.401) 4.938 5.708 ( -3.066 0.330 -4.487) 5.444 5.780 ( -5.400 -3.644 -4.259) 7.783 6.710 ( 5.573 7.437 9.572) 13.341 6.795 ( 3.041 0.941 3.713) 4.891 6.824 ( 4.849 -0.080 2.840) 5.620 6.887 ( 0.641 -5.415 8.644) 10.220 7.364 ( -7.896 3.567 -3.404) 9.309 7.403 ( -4.866 -0.134 -4.298) 6.494 7.761 ( -0.238 0.602 0.334) 0.728 7.784 ( -1.266 -1.514 0.888) 2.164 8.650 ( 0.104 2.670 0.188) 2.678 8.774 ( -4.001 -8.323 0.372) 9.243 8.960 ( -4.626 -0.751 -5.052) 6.891 9.000 ( -8.226 -4.460 -5.723) 10.969 9.205 ( 0.293 0.310 -0.033) 0.428 9.325 ( -4.461 -10.929 3.535) 12.322 9.455 ( -6.501 2.463 -4.203) 8.124 9.584 ( -7.075 -9.623 -3.860) 12.552 10.144 ( 1.433 3.341 -14.622) 15.067 10.204 ( -3.514 -2.061 -17.812) 18.272 10.368 ( 1.224 -0.496 2.437) 2.772 10.382 ( -0.668 -1.672 0.059) 1.801 11.719 ( -0.431 1.691 2.135) 2.757 11.746 ( -0.929 -1.018 1.576) 2.094 12.121 ( 7.221 6.636 -3.905) 10.556 12.227 ( 6.817 -3.468 -6.734) 10.190 12.492 ( -0.439 5.590 7.258) 9.171 12.592 ( -2.720 -3.075 6.054) 7.315 12.818 ( 3.632 2.377 7.307) 8.499 12.854 ( 4.000 -0.671 6.605) 7.751 13.712 ( 7.650 6.087 9.479) 13.617 13.722 ( 7.879 5.092 8.642) 12.755 16.190 ( -1.102 -0.203 -2.279) 2.540 16.210 ( -2.256 -1.922 -1.843) 3.490 17.779 ( 2.577 4.430 1.902) 5.466 17.848 ( 3.518 -1.588 -2.925) 4.843 18.051 ( 4.346 8.472 1.277) 9.606 18.286 ( -0.744 -13.564 -10.110) 16.933 18.753 ( -4.263 9.193 4.433) 11.060 18.953 ( -11.060 -10.149 0.227) 15.013 ======================= Grid point 391 (210/215) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -2.637 1.462 0.694) 3.094 2.700 ( 2.095 -2.547 -3.207) 4.600 2.880 ( -0.186 -0.943 -2.137) 2.344 2.909 ( 2.399 -3.368 -4.299) 5.965 3.275 ( 2.229 1.789 0.859) 2.984 3.315 ( -2.227 -1.964 -3.351) 4.477 3.614 ( -0.376 3.455 3.960) 5.269 3.656 ( 0.020 -0.406 -0.683) 0.795 3.785 ( 0.793 4.813 3.153) 5.809 3.813 ( -0.281 2.391 1.121) 2.656 4.261 ( -2.228 -0.034 0.341) 2.254 4.277 ( -0.126 -0.900 -1.196) 1.502 4.892 ( 1.908 4.181 2.627) 5.294 4.909 ( 1.296 2.661 0.787) 3.062 5.094 ( 0.057 3.776 6.198) 7.258 5.138 ( -1.389 -0.257 2.123) 2.550 5.442 ( -1.391 -0.238 -0.631) 1.546 5.445 ( 0.257 -0.027 -0.543) 0.602 5.525 ( -4.549 5.164 -2.594) 7.355 5.561 ( 3.573 5.382 -4.345) 7.785 5.656 ( -5.765 -3.841 0.360) 6.936 5.689 ( 4.571 -3.819 -2.047) 6.299 6.817 ( -1.100 4.936 4.915) 7.052 6.874 ( 1.218 0.910 -0.944) 1.790 7.001 ( 11.346 3.472 8.396) 14.536 7.059 ( 3.044 -2.511 10.275) 11.006 7.165 ( -6.683 4.369 -6.728) 10.441 7.250 ( -5.671 -3.201 -7.396) 9.854 7.767 ( 0.683 -0.541 0.184) 0.891 7.768 ( -0.817 -0.586 0.158) 1.017 8.706 ( 2.541 -0.482 3.944) 4.716 8.759 ( -0.270 -5.265 3.619) 6.395 8.815 ( -2.896 -0.608 -6.656) 7.284 8.871 ( 0.778 -5.716 -7.195) 9.222 9.261 ( 5.146 -0.908 0.989) 5.318 9.284 ( -3.466 -0.913 -0.612) 3.636 9.390 ( 1.613 -7.100 1.755) 7.489 9.460 ( -2.643 -11.356 -4.095) 12.358 10.005 ( -1.761 0.334 -7.514) 7.724 10.023 ( 0.314 -1.374 -9.028) 9.138 10.392 ( -0.165 0.422 1.063) 1.156 10.394 ( -0.188 0.378 0.653) 0.777 11.742 ( -1.289 1.692 3.547) 4.136 11.758 ( -0.667 0.203 2.347) 2.448 12.153 ( 2.800 4.199 -4.092) 6.497 12.195 ( 0.950 0.551 -8.093) 8.167 12.586 ( 1.682 -0.409 5.713) 5.969 12.598 ( -3.097 -1.135 4.056) 5.228 12.920 ( 0.928 2.316 3.747) 4.502 12.936 ( 0.288 0.708 2.174) 2.305 13.866 ( -0.003 7.060 5.378) 8.875 13.872 ( 0.352 6.422 4.618) 7.918 16.168 ( 0.408 -0.939 -0.862) 1.338 16.169 ( -0.694 -1.068 -0.967) 1.599 17.799 ( 0.262 1.955 0.515) 2.039 17.838 ( 0.168 -1.575 -3.164) 3.538 18.102 ( 1.482 2.059 -0.233) 2.548 18.162 ( -0.334 -3.529 -6.183) 7.127 18.817 ( 1.926 -0.642 4.104) 4.578 18.843 ( -3.820 -3.062 1.353) 5.079 ======================= Grid point 393 (211/215) ======================= q-point: (-0.42 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -1.680 5.372 1.353) 5.789 2.754 ( 5.470 -6.875 -0.146) 8.786 2.860 ( -0.451 0.161 -0.150) 0.502 2.907 ( 1.999 -4.107 -2.218) 5.078 3.224 ( -4.127 6.689 -0.969) 7.919 3.348 ( 3.280 -5.302 1.325) 6.373 3.610 ( -3.197 2.356 -0.627) 4.020 3.647 ( -0.427 -1.045 0.514) 1.241 3.758 ( -5.128 5.114 -1.522) 7.400 3.796 ( -2.117 1.829 0.166) 2.803 4.264 ( 1.152 2.446 2.146) 3.452 4.334 ( 5.652 -3.555 1.845) 6.927 4.865 ( -5.558 4.050 -3.837) 7.875 4.878 ( -4.992 2.995 -0.747) 5.870 5.107 ( -0.543 4.424 -0.997) 4.568 5.151 ( 0.922 -0.758 0.696) 1.382 5.396 ( -9.565 3.969 1.639) 10.485 5.425 ( -4.651 2.331 1.636) 5.454 5.489 ( 0.751 -1.351 -0.352) 1.586 5.511 ( 1.848 1.463 1.968) 3.071 5.652 ( 1.397 0.993 1.760) 2.456 5.745 ( 3.648 -4.471 -0.255) 5.776 6.818 ( -3.866 1.530 1.677) 4.483 6.845 ( -4.849 -0.864 -1.587) 5.175 6.895 ( -6.015 10.672 -8.393) 14.850 7.075 ( -3.622 -4.851 -8.795) 10.677 7.278 ( 10.635 1.109 5.554) 12.049 7.289 ( 6.461 -0.330 7.129) 9.627 7.765 ( 0.592 0.919 -0.059) 1.095 7.790 ( 1.564 -1.472 0.142) 2.153 8.686 ( -1.156 2.018 -2.768) 3.616 8.804 ( 1.682 -7.660 0.637) 7.868 8.874 ( 6.308 -2.160 -0.212) 6.671 8.899 ( 10.620 -4.284 3.324) 11.924 9.229 ( 0.003 3.072 -2.271) 3.820 9.389 ( 8.665 -3.314 -0.263) 9.281 9.409 ( 1.863 -8.218 -1.866) 8.630 9.514 ( 8.620 -9.880 3.272) 13.514 9.956 ( -0.447 1.731 2.996) 3.488 10.009 ( 2.607 -3.394 2.015) 4.731 10.386 ( -1.444 0.663 0.507) 1.668 10.388 ( -1.126 0.451 0.123) 1.220 11.746 ( -1.659 1.602 1.594) 2.804 11.764 ( -1.120 0.133 0.812) 1.390 12.103 ( -3.482 3.252 -4.253) 6.387 12.132 ( -2.422 0.650 0.019) 2.508 12.575 ( -2.406 3.529 0.085) 4.272 12.658 ( 2.276 -4.111 0.472) 4.722 12.914 ( -2.922 1.878 -2.235) 4.130 12.928 ( -2.146 0.574 -0.767) 2.350 13.814 ( -9.239 7.019 -0.824) 11.632 13.818 ( -9.125 6.490 -1.222) 11.264 16.165 ( 0.846 0.009 0.279) 0.890 16.186 ( 2.004 -1.870 0.499) 2.786 17.794 ( -0.950 1.621 -0.165) 1.886 17.852 ( 2.397 -3.406 -0.615) 4.210 18.092 ( -1.566 1.089 -2.666) 3.278 18.138 ( 1.136 -3.084 1.848) 3.771 18.796 ( -0.792 6.077 0.496) 6.148 18.935 ( 7.135 -7.223 2.081) 10.364 ======================= Grid point 394 (212/215) ======================= q-point: (-0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -1.901 10.005 1.807) 10.343 2.825 ( 1.911 -8.528 1.176) 8.818 2.879 ( 2.561 -0.784 0.364) 2.704 2.927 ( 2.161 -4.454 0.024) 4.951 3.136 ( -5.181 13.608 -2.359) 14.751 3.366 ( -1.749 -7.421 -3.019) 8.200 3.549 ( -4.134 3.560 1.619) 5.691 3.607 ( -6.086 0.127 -1.596) 6.293 3.691 ( -0.791 0.223 1.270) 1.513 3.756 ( -0.094 -3.909 -0.315) 3.923 4.325 ( 0.925 6.453 4.226) 7.769 4.469 ( 6.284 -6.536 3.897) 9.869 4.654 ( -11.335 6.887 -6.656) 14.839 4.727 ( -9.056 0.889 -4.525) 10.162 5.101 ( 1.935 6.194 -3.618) 7.429 5.162 ( 3.227 -1.281 -4.389) 5.596 5.292 ( -5.901 2.620 4.380) 7.802 5.337 ( -7.098 -0.219 3.228) 7.800 5.506 ( 0.141 2.628 -0.279) 2.646 5.588 ( 2.318 -2.544 2.142) 4.054 5.715 ( 2.232 4.101 4.363) 6.390 5.821 ( 3.772 -4.196 3.555) 6.668 6.654 ( -7.910 5.908 -4.769) 10.964 6.748 ( -5.593 -3.422 -0.623) 6.586 6.820 ( 0.169 5.242 -4.218) 6.730 6.945 ( -0.783 -5.093 -8.413) 9.866 7.423 ( 2.134 2.103 4.768) 5.631 7.453 ( 5.340 0.056 2.457) 5.878 7.779 ( 1.032 1.706 -0.411) 2.036 7.808 ( 0.957 -1.088 -0.707) 1.613 8.690 ( 4.574 4.057 -1.144) 6.220 8.851 ( 5.119 -10.786 -1.053) 11.985 9.031 ( 9.103 2.288 4.374) 10.355 9.126 ( 11.228 -6.549 4.334) 13.702 9.244 ( 4.793 4.423 -1.236) 6.638 9.422 ( 4.377 -11.739 -2.551) 12.786 9.571 ( 10.500 3.613 2.569) 11.397 9.696 ( 9.039 -7.348 2.568) 11.929 10.060 ( 3.595 2.027 7.234) 8.328 10.137 ( 3.494 -4.562 11.574) 12.922 10.357 ( -1.467 1.336 -0.450) 2.034 10.393 ( 2.179 -2.345 2.786) 4.244 11.734 ( 0.034 1.450 -0.955) 1.737 11.752 ( -0.965 -0.113 1.030) 1.416 11.993 ( -6.533 4.384 -1.159) 7.953 12.073 ( -7.279 -2.640 2.753) 8.218 12.523 ( -2.163 7.706 -2.828) 8.489 12.649 ( -1.652 -2.774 -4.789) 5.775 12.803 ( -5.257 1.321 -5.318) 7.594 12.841 ( -2.879 -2.560 -6.273) 7.362 13.587 ( -14.224 5.856 -4.167) 15.937 13.597 ( -13.678 5.185 -3.889) 15.136 16.202 ( 2.327 0.940 1.658) 3.008 16.240 ( 3.202 -2.514 1.595) 4.373 17.752 ( -4.971 1.485 -0.538) 5.216 17.803 ( -3.963 -3.179 -6.079) 7.922 18.010 ( -3.696 6.488 -4.908) 8.936 18.189 ( -3.161 -11.037 5.028) 12.534 18.877 ( 10.362 13.449 3.540) 17.343 19.128 ( 13.315 -11.028 4.446) 17.851 ======================= Grid point 395 (213/215) ======================= q-point: (-0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -5.312 12.885 1.629) 14.032 2.845 ( -1.011 -11.096 0.182) 11.144 2.916 ( 0.298 -0.349 1.433) 1.505 2.948 ( 0.408 0.271 -3.810) 3.841 2.996 ( -6.556 12.801 -4.065) 14.946 3.243 ( -6.060 -5.929 -6.022) 10.399 3.462 ( -6.245 4.130 -1.222) 7.587 3.525 ( -5.237 -2.333 1.084) 5.834 3.671 ( 0.315 2.502 -0.409) 2.555 3.817 ( 1.067 -10.868 2.521) 11.207 4.302 ( -8.126 9.450 1.495) 12.553 4.438 ( -8.198 -0.803 -1.140) 8.316 4.585 ( 4.110 1.796 1.060) 4.608 4.651 ( 4.392 -3.368 3.624) 6.615 5.087 ( 0.630 5.181 -1.458) 5.419 5.142 ( 1.350 -0.889 -5.641) 5.868 5.300 ( 1.755 1.927 1.117) 2.835 5.324 ( 1.888 -0.988 2.448) 3.245 5.485 ( -1.739 7.047 0.052) 7.259 5.630 ( 0.158 -4.681 2.467) 5.294 5.794 ( 0.730 5.671 4.130) 7.053 5.912 ( 1.433 -4.352 3.578) 5.813 6.519 ( -4.088 6.351 -2.589) 7.985 6.654 ( -3.954 -6.352 -1.983) 7.740 6.788 ( 0.270 2.903 -1.947) 3.506 6.859 ( -0.580 -3.400 -5.017) 6.089 7.469 ( -1.384 2.706 3.126) 4.360 7.509 ( 0.076 -0.102 0.358) 0.380 7.780 ( -0.018 2.766 -0.281) 2.780 7.813 ( 1.308 -0.224 -1.350) 1.893 8.791 ( 7.518 3.731 0.690) 8.421 8.935 ( 5.774 -9.759 -0.275) 11.343 9.228 ( 10.459 2.319 1.526) 10.821 9.288 ( 4.700 0.831 3.374) 5.846 9.379 ( 10.737 -3.204 -0.295) 11.209 9.484 ( 5.372 -8.438 -0.065) 10.003 9.772 ( 9.255 5.420 4.807) 11.753 9.855 ( 5.806 -1.839 5.467) 8.184 10.081 ( -2.794 4.293 -1.719) 5.403 10.219 ( -5.455 -6.970 -0.042) 8.851 10.527 ( 14.589 -0.300 15.406) 21.220 10.599 ( 13.080 -6.048 10.497) 17.828 11.732 ( -2.390 4.682 -0.362) 5.270 11.751 ( 0.625 2.055 0.947) 2.347 11.892 ( -4.237 -0.260 0.357) 4.260 11.958 ( -8.520 -4.474 0.452) 9.633 12.434 ( -6.206 7.258 -2.486) 9.867 12.482 ( -7.021 2.427 -10.167) 12.592 12.629 ( -6.180 2.960 -8.100) 10.610 12.754 ( 0.831 -7.391 -6.621) 9.958 13.317 ( -13.431 4.150 -3.539) 14.496 13.334 ( -13.085 2.938 -4.159) 14.040 16.272 ( 3.272 1.744 2.768) 4.627 16.320 ( 3.960 -2.638 2.446) 5.350 17.609 ( -8.417 0.121 -5.555) 10.086 17.635 ( -11.360 -2.535 -0.684) 11.660 17.849 ( -5.650 9.946 -10.407) 15.465 18.091 ( -8.664 -12.878 -4.702) 16.218 19.195 ( 17.295 13.254 10.691) 24.271 19.448 ( 17.490 -10.974 7.470) 21.957 ======================= Grid point 396 (214/215) ======================= q-point: (-0.17 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -5.579 14.775 1.007) 15.825 2.736 ( -12.104 13.238 -2.593) 18.124 2.833 ( -4.129 -10.528 -1.005) 11.354 2.878 ( -3.682 0.222 -4.558) 5.864 2.924 ( -1.624 -2.081 -3.596) 4.460 3.064 ( -7.012 -8.450 -6.857) 12.945 3.341 ( -5.949 3.064 -5.061) 8.390 3.406 ( -6.781 -2.803 -4.925) 8.837 3.723 ( 3.649 1.427 3.756) 5.428 3.807 ( -0.436 -6.326 0.198) 6.344 4.258 ( -1.822 8.168 4.750) 9.623 4.369 ( -0.685 -1.103 1.807) 2.225 4.728 ( 5.822 1.015 5.708) 8.216 4.783 ( 4.664 -3.187 7.712) 9.559 5.102 ( 1.176 1.272 -2.287) 2.869 5.104 ( 1.461 1.197 -0.583) 1.976 5.360 ( 1.789 5.690 2.108) 6.326 5.394 ( 6.057 0.609 -1.857) 6.364 5.499 ( 4.937 6.132 0.259) 7.877 5.661 ( -0.227 -5.410 4.041) 6.757 5.819 ( -2.010 4.666 2.590) 5.703 5.928 ( -3.132 -4.122 1.835) 5.492 6.450 ( -2.143 5.245 -2.405) 6.155 6.574 ( -2.293 -6.369 -4.401) 8.074 6.777 ( -0.915 1.042 0.436) 1.453 6.811 ( -1.392 -1.968 -0.960) 2.595 7.468 ( -2.106 2.538 2.350) 4.049 7.490 ( -1.525 0.905 0.170) 1.782 7.788 ( 0.727 3.383 0.975) 3.595 7.820 ( 0.953 0.329 -0.499) 1.125 8.906 ( 5.461 1.565 -0.176) 5.684 9.009 ( 4.113 -8.084 -1.472) 9.189 9.353 ( 4.869 1.240 -0.628) 5.063 9.408 ( 4.923 -2.782 2.251) 6.086 9.492 ( 6.104 1.598 -2.967) 6.972 9.573 ( 4.862 -3.293 -1.381) 6.032 9.928 ( 2.009 7.648 3.690) 8.726 10.019 ( 6.207 0.462 7.886) 10.047 10.072 ( 0.910 -1.303 4.951) 5.200 10.109 ( -2.492 -4.748 -1.386) 5.538 10.957 ( 15.555 -2.425 12.091) 19.850 10.976 ( 16.579 -4.761 14.728) 22.681 11.613 ( -8.401 8.450 -1.882) 12.063 11.753 ( -6.088 -4.388 -3.959) 8.485 11.831 ( 0.979 4.012 3.110) 5.169 11.930 ( 3.121 -5.741 -0.688) 6.571 12.247 ( -6.946 3.011 -7.499) 10.656 12.281 ( -8.173 0.354 -4.137) 9.167 12.473 ( -3.437 10.494 -6.547) 12.837 12.691 ( -0.523 -9.087 -6.125) 10.971 13.096 ( -10.175 2.662 -2.627) 10.840 13.104 ( -9.628 1.211 -3.259) 10.236 16.363 ( 3.667 2.498 3.376) 5.576 16.416 ( 4.195 -2.382 3.016) 5.689 17.403 ( -9.717 -0.221 -4.192) 10.585 17.427 ( -15.293 -1.861 1.780) 15.508 17.623 ( -4.293 8.468 -14.320) 17.181 17.847 ( -9.360 -12.041 -11.807) 19.288 19.593 ( 15.149 10.982 12.289) 22.385 19.802 ( 15.376 -8.830 7.194) 19.135 ======================= Grid point 397 (215/215) ======================= q-point: (-0.08 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -1.933 14.709 0.096) 14.836 2.527 ( -11.250 14.093 1.903) 18.133 2.710 ( -5.044 -2.492 -7.441) 9.329 2.773 ( -8.276 -11.331 1.072) 14.072 2.839 ( -2.558 -3.739 -4.507) 6.390 2.885 ( -0.740 -9.921 -11.047) 14.866 3.184 ( -3.708 3.359 -5.750) 7.622 3.245 ( -4.662 -2.724 -6.003) 8.074 3.845 ( 4.515 -0.131 4.675) 6.501 3.861 ( 2.595 -1.637 4.075) 5.101 4.298 ( -0.241 6.925 3.983) 7.992 4.393 ( -0.017 -1.444 1.075) 1.801 4.863 ( 4.034 2.888 5.279) 7.245 4.949 ( 3.865 -5.217 5.260) 8.356 5.098 ( 1.462 4.513 0.271) 4.752 5.145 ( 2.086 -0.750 0.526) 2.278 5.407 ( -1.300 10.245 8.428) 13.330 5.485 ( 6.689 0.426 -0.809) 6.751 5.622 ( 9.969 2.704 -2.592) 10.650 5.712 ( -0.822 -0.701 4.381) 4.512 5.818 ( 0.590 -0.606 1.867) 2.050 5.868 ( -5.644 -2.902 1.292) 6.477 6.359 ( -5.054 3.325 -4.479) 7.527 6.454 ( -5.224 -5.173 -6.904) 10.085 6.779 ( 0.034 0.201 1.641) 1.653 6.798 ( 0.474 -1.239 0.195) 1.341 7.467 ( -0.821 3.088 2.105) 3.827 7.486 ( -0.113 1.390 1.100) 1.776 7.819 ( 0.486 2.943 2.423) 3.843 7.835 ( 0.658 1.269 0.901) 1.690 8.939 ( 0.937 0.038 -2.767) 2.921 9.017 ( 0.889 -7.519 -4.465) 8.790 9.390 ( 1.197 0.546 -0.607) 1.449 9.454 ( 0.361 -5.723 -0.761) 5.785 9.528 ( 3.045 2.622 -2.585) 4.778 9.582 ( 0.966 -1.875 -4.206) 4.706 9.987 ( 2.492 4.173 1.847) 5.199 10.039 ( 0.405 -1.018 -0.359) 1.153 10.237 ( 5.458 2.197 11.253) 12.698 10.256 ( 3.555 0.542 12.190) 12.710 11.275 ( 7.333 2.713 8.044) 11.218 11.318 ( 7.723 -3.219 5.204) 9.854 11.490 ( -2.192 3.358 1.052) 4.146 11.600 ( -5.030 -4.229 -3.173) 7.298 11.898 ( 2.141 3.303 1.868) 4.357 11.961 ( 2.521 -3.136 -1.886) 4.444 12.121 ( 0.380 1.248 -5.565) 5.716 12.151 ( -3.106 -1.102 -2.966) 4.434 12.354 ( -4.358 10.783 -2.780) 11.958 12.579 ( -4.254 -10.104 -7.213) 13.123 12.955 ( -3.687 2.827 -1.403) 4.853 12.974 ( -4.418 0.658 -0.615) 4.509 16.460 ( 3.491 3.199 3.565) 5.927 16.513 ( 3.285 -1.527 3.059) 4.741 17.205 ( -10.908 -0.026 -0.218) 10.911 17.240 ( -8.347 -3.048 -0.550) 8.903 17.425 ( -2.094 3.917 -11.389) 12.225 17.566 ( -6.527 -9.100 -14.196) 18.081 19.915 ( 8.607 8.257 10.502) 15.892 20.061 ( 8.451 -5.640 4.271) 11.022 =================== 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 3/45360 10.0 3846.730 2760.090 4977.291 0.000 187.803 0.000 3/45360 20.0 358.678 298.181 398.508 0.000 15.339 0.000 3/45360 30.0 96.581 84.653 106.418 0.000 4.688 0.000 3/45360 40.0 44.054 39.051 48.585 0.000 2.232 0.000 3/45360 50.0 25.976 23.083 28.633 0.000 1.335 0.000 3/45360 60.0 17.615 15.653 19.362 0.000 0.912 0.000 3/45360 70.0 12.996 11.541 14.227 0.000 0.675 0.000 3/45360 80.0 10.141 8.998 11.054 0.000 0.527 0.000 3/45360 90.0 8.237 7.305 8.943 0.000 0.429 0.000 3/45360 100.0 6.899 6.116 7.465 0.000 0.359 0.000 3/45360 110.0 5.917 5.246 6.386 0.000 0.307 0.000 3/45360 120.0 5.174 4.589 5.573 0.000 0.268 0.000 3/45360 130.0 4.596 4.078 4.944 0.000 0.238 0.000 3/45360 140.0 4.136 3.672 4.445 0.000 0.214 0.000 3/45360 150.0 3.763 3.343 4.042 0.000 0.194 0.000 3/45360 160.0 3.454 3.072 3.711 0.000 0.177 0.000 3/45360 170.0 3.196 2.845 3.434 0.000 0.163 0.000 3/45360 180.0 2.976 2.652 3.199 0.000 0.152 0.000 3/45360 190.0 2.787 2.487 2.997 0.000 0.141 0.000 3/45360 200.0 2.623 2.343 2.822 0.000 0.133 0.000 3/45360 210.0 2.478 2.217 2.669 0.000 0.125 0.000 3/45360 220.0 2.351 2.105 2.533 0.000 0.118 0.000 3/45360 230.0 2.237 2.005 2.412 0.000 0.112 0.000 3/45360 240.0 2.135 1.916 2.303 0.000 0.106 0.000 3/45360 250.0 2.042 1.835 2.205 0.000 0.101 0.000 3/45360 260.0 1.958 1.761 2.116 0.000 0.097 0.000 3/45360 270.0 1.881 1.694 2.034 0.000 0.093 0.000 3/45360 280.0 1.811 1.632 1.960 0.000 0.089 0.000 3/45360 290.0 1.746 1.575 1.890 0.000 0.085 0.000 3/45360 300.0 1.686 1.522 1.826 0.000 0.082 0.000 3/45360 310.0 1.630 1.472 1.767 0.000 0.079 0.000 3/45360 320.0 1.578 1.426 1.711 0.000 0.077 0.000 3/45360 330.0 1.529 1.384 1.660 0.000 0.074 0.000 3/45360 340.0 1.483 1.343 1.611 0.000 0.072 0.000 3/45360 350.0 1.441 1.305 1.565 0.000 0.069 0.000 3/45360 360.0 1.400 1.270 1.522 0.000 0.067 0.000 3/45360 370.0 1.362 1.236 1.482 0.000 0.065 0.000 3/45360 380.0 1.326 1.204 1.443 0.000 0.063 0.000 3/45360 390.0 1.292 1.174 1.407 0.000 0.062 0.000 3/45360 400.0 1.260 1.145 1.372 0.000 0.060 0.000 3/45360 410.0 1.230 1.118 1.339 0.000 0.059 0.000 3/45360 420.0 1.200 1.092 1.308 0.000 0.057 0.000 3/45360 430.0 1.173 1.067 1.278 0.000 0.056 0.000 3/45360 440.0 1.146 1.043 1.250 0.000 0.054 0.000 3/45360 450.0 1.121 1.021 1.223 0.000 0.053 0.000 3/45360 460.0 1.097 0.999 1.197 0.000 0.052 0.000 3/45360 470.0 1.074 0.978 1.172 0.000 0.051 0.000 3/45360 480.0 1.051 0.959 1.148 0.000 0.050 0.000 3/45360 490.0 1.030 0.940 1.125 0.000 0.048 0.000 3/45360 500.0 1.010 0.921 1.103 0.000 0.047 0.000 3/45360 510.0 0.990 0.904 1.082 0.000 0.046 0.000 3/45360 520.0 0.971 0.887 1.061 0.000 0.046 0.000 3/45360 530.0 0.953 0.870 1.042 0.000 0.045 0.000 3/45360 540.0 0.936 0.855 1.023 0.000 0.044 0.000 3/45360 550.0 0.919 0.839 1.005 0.000 0.043 0.000 3/45360 560.0 0.903 0.825 0.987 0.000 0.042 0.000 3/45360 570.0 0.887 0.811 0.970 0.000 0.041 0.000 3/45360 580.0 0.872 0.797 0.954 0.000 0.041 0.000 3/45360 590.0 0.857 0.784 0.938 0.000 0.040 0.000 3/45360 600.0 0.843 0.771 0.923 0.000 0.039 0.000 3/45360 610.0 0.830 0.759 0.908 0.000 0.039 0.000 3/45360 620.0 0.816 0.747 0.893 0.000 0.038 0.000 3/45360 630.0 0.804 0.735 0.879 0.000 0.037 0.000 3/45360 640.0 0.791 0.724 0.866 0.000 0.037 0.000 3/45360 650.0 0.779 0.713 0.853 0.000 0.036 0.000 3/45360 660.0 0.767 0.702 0.840 0.000 0.036 0.000 3/45360 670.0 0.756 0.692 0.828 0.000 0.035 0.000 3/45360 680.0 0.745 0.682 0.816 0.000 0.035 0.000 3/45360 690.0 0.734 0.672 0.804 0.000 0.034 0.000 3/45360 700.0 0.724 0.663 0.793 0.000 0.034 0.000 3/45360 710.0 0.714 0.654 0.782 0.000 0.033 0.000 3/45360 720.0 0.704 0.645 0.771 0.000 0.033 0.000 3/45360 730.0 0.695 0.636 0.761 0.000 0.032 0.000 3/45360 740.0 0.685 0.628 0.751 0.000 0.032 0.000 3/45360 750.0 0.676 0.620 0.741 0.000 0.031 0.000 3/45360 760.0 0.667 0.612 0.731 0.000 0.031 0.000 3/45360 770.0 0.659 0.604 0.722 0.000 0.030 0.000 3/45360 780.0 0.650 0.596 0.713 0.000 0.030 0.000 3/45360 790.0 0.642 0.589 0.704 0.000 0.030 0.000 3/45360 800.0 0.634 0.582 0.695 0.000 0.029 0.000 3/45360 810.0 0.627 0.574 0.687 0.000 0.029 0.000 3/45360 820.0 0.619 0.568 0.679 0.000 0.029 0.000 3/45360 830.0 0.612 0.561 0.671 0.000 0.028 0.000 3/45360 840.0 0.604 0.554 0.663 0.000 0.028 0.000 3/45360 850.0 0.597 0.548 0.655 0.000 0.027 0.000 3/45360 860.0 0.590 0.542 0.647 0.000 0.027 0.000 3/45360 870.0 0.584 0.535 0.640 0.000 0.027 0.000 3/45360 880.0 0.577 0.529 0.633 0.000 0.027 0.000 3/45360 890.0 0.571 0.524 0.626 0.000 0.026 0.000 3/45360 900.0 0.564 0.518 0.619 0.000 0.026 0.000 3/45360 910.0 0.558 0.512 0.612 0.000 0.026 0.000 3/45360 920.0 0.552 0.507 0.606 0.000 0.025 0.000 3/45360 930.0 0.546 0.501 0.599 0.000 0.025 0.000 3/45360 940.0 0.541 0.496 0.593 0.000 0.025 0.000 3/45360 950.0 0.535 0.491 0.587 0.000 0.025 0.000 3/45360 960.0 0.529 0.486 0.581 0.000 0.024 0.000 3/45360 970.0 0.524 0.481 0.575 0.000 0.024 0.000 3/45360 980.0 0.519 0.476 0.569 0.000 0.024 0.000 3/45360 990.0 0.513 0.471 0.563 0.000 0.024 0.000 3/45360 1000.0 0.508 0.467 0.558 0.000 0.023 0.000 3/45360 Thermal conductivity related properties were written into "kappa-m1297.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:57:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|