----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:56:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.804097990005694 -2.753084115000000 0.000000000000000 b 5.804097990005694 2.753084115000000 0.000000000000000 c -1.071332246942136 0.000000000000000 8.362083850660188 Atomic positions (fractional): *1 Na 0.33627760595916 0.33627760595916 0.57203385415713 22.990 *2 Na 0.77782376751883 0.77782376751883 0.84558731524459 22.990 *3 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 4 Na 0.22217623248117 0.22217623248117 0.15441268475541 22.990 5 Na 0.66372239404084 0.66372239404084 0.42796614584287 22.990 *6 Zr 0.92675476974787 0.92675476974787 0.25589756411170 91.224 7 Zr 0.07324523025213 0.07324523025213 0.74410243588830 91.224 *8 F 0.41859632217764 0.94421061327098 0.64300557709813 18.998 *9 F 0.70050620888693 0.17631092722400 0.75017019751530 18.998 10 F 0.94421061327098 0.41859632217764 0.64300557709813 18.998 *11 F 0.09199153599758 0.64041578239174 0.07023945597195 18.998 12 F 0.29949379111307 0.82368907277600 0.24982980248470 18.998 13 F 0.58140367782236 0.05578938672902 0.35699442290187 18.998 14 F 0.05578938672902 0.58140367782236 0.35699442290187 18.998 15 F 0.64041578239174 0.09199153599758 0.07023945597195 18.998 16 F 0.35958421760826 0.90800846400242 0.92976054402805 18.998 17 F 0.90800846400242 0.35958421760826 0.92976054402805 18.998 18 F 0.17631092722400 0.70050620888693 0.75017019751530 18.998 19 F 0.82368907277600 0.29949379111307 0.24982980248470 18.998 *20 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.608195980011388 0.000000000000000 0.000000000000000 b 0.000000000000000 5.506168230000000 0.000000000000000 c -1.071332246942136 0.000000000000000 8.362083850660188 Atomic positions (fractional): *1 Na 0.33627760595916 0.00000000000000 0.57203385415713 22.990 > 1 *2 Na 0.27782376751883 0.50000000000000 0.84558731524459 22.990 > 2 *3 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 3 4 Na 0.22217623248117 0.00000000000000 0.15441268475541 22.990 > 4 5 Na 0.16372239404084 0.50000000000000 0.42796614584287 22.990 > 5 6 Na 0.83627760595916 0.50000000000000 0.57203385415713 22.990 > 1 7 Na 0.77782376751883 0.00000000000000 0.84558731524459 22.990 > 2 8 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 3 9 Na 0.72217623248117 0.50000000000000 0.15441268475541 22.990 > 4 10 Na 0.66372239404084 0.00000000000000 0.42796614584287 22.990 > 5 *11 Zr 0.42675476974787 0.50000000000000 0.25589756411170 91.224 > 6 12 Zr 0.07324523025213 0.00000000000000 0.74410243588830 91.224 > 7 13 Zr 0.92675476974787 0.00000000000000 0.25589756411170 91.224 > 6 14 Zr 0.57324523025213 0.50000000000000 0.74410243588830 91.224 > 7 *15 F 0.18140346772431 0.76280714554667 0.64300557709813 18.998 > 8 *16 F 0.43840856805546 0.73790235916854 0.75017019751530 18.998 > 9 17 F 0.18140346772431 0.23719285445333 0.64300557709813 18.998 > 10 *18 F 0.36620365919466 0.27421212319708 0.07023945597195 18.998 > 11 19 F 0.06159143194454 0.76209764083146 0.24982980248470 18.998 > 12 20 F 0.31859653227569 0.73719285445333 0.35699442290187 18.998 > 13 21 F 0.31859653227569 0.26280714554667 0.35699442290187 18.998 > 14 22 F 0.36620365919466 0.72578787680292 0.07023945597195 18.998 > 15 23 F 0.13379634080534 0.77421212319708 0.92976054402805 18.998 > 16 24 F 0.13379634080534 0.22578787680292 0.92976054402805 18.998 > 17 25 F 0.43840856805546 0.26209764083146 0.75017019751530 18.998 > 18 26 F 0.06159143194454 0.23790235916854 0.24982980248470 18.998 > 19 *27 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 20 28 F 0.68140346772431 0.26280714554667 0.64300557709813 18.998 > 8 29 F 0.93840856805546 0.23790235916854 0.75017019751530 18.998 > 9 30 F 0.68140346772431 0.73719285445333 0.64300557709813 18.998 > 10 31 F 0.86620365919466 0.77421212319708 0.07023945597195 18.998 > 11 32 F 0.56159143194454 0.26209764083146 0.24982980248470 18.998 > 12 33 F 0.81859653227569 0.23719285445333 0.35699442290187 18.998 > 13 34 F 0.81859653227569 0.76280714554667 0.35699442290187 18.998 > 14 35 F 0.86620365919466 0.22578787680292 0.07023945597195 18.998 > 15 36 F 0.63379634080534 0.27421212319708 0.92976054402805 18.998 > 16 37 F 0.63379634080534 0.72578787680292 0.92976054402805 18.998 > 17 38 F 0.93840856805546 0.76209764083146 0.75017019751530 18.998 > 18 39 F 0.56159143194454 0.73790235916854 0.24982980248470 18.998 > 19 40 F 0.50000000000000 0.50000000000000 0.50000000000000 18.998 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.608195980011388 0.000000000000000 0.000000000000000 b 0.000000000000000 11.012336460000000 0.000000000000000 c -1.071332246942136 0.000000000000000 8.362083850660188 Atomic positions (fractional): *1 Na 0.33627760595916 0.00000000000000 0.57203385415713 22.990 > 1 2 Na 0.33627760595916 0.50000000000000 0.57203385415713 22.990 > 1 *3 Na 0.27782376751883 0.25000000000000 0.84558731524459 22.990 > 2 4 Na 0.27782376751883 0.75000000000000 0.84558731524459 22.990 > 2 *5 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 3 6 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 3 7 Na 0.22217623248117 0.00000000000000 0.15441268475541 22.990 > 4 8 Na 0.22217623248117 0.50000000000000 0.15441268475541 22.990 > 4 9 Na 0.16372239404084 0.25000000000000 0.42796614584287 22.990 > 5 10 Na 0.16372239404084 0.75000000000000 0.42796614584287 22.990 > 5 11 Na 0.83627760595916 0.25000000000000 0.57203385415713 22.990 > 1 12 Na 0.83627760595916 0.75000000000000 0.57203385415713 22.990 > 1 13 Na 0.77782376751883 0.00000000000000 0.84558731524459 22.990 > 2 14 Na 0.77782376751883 0.50000000000000 0.84558731524459 22.990 > 2 15 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 3 16 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 3 17 Na 0.72217623248117 0.25000000000000 0.15441268475541 22.990 > 4 18 Na 0.72217623248117 0.75000000000000 0.15441268475541 22.990 > 4 19 Na 0.66372239404084 0.00000000000000 0.42796614584287 22.990 > 5 20 Na 0.66372239404084 0.50000000000000 0.42796614584287 22.990 > 5 *21 Zr 0.42675476974787 0.25000000000000 0.25589756411170 91.224 > 6 22 Zr 0.42675476974787 0.75000000000000 0.25589756411170 91.224 > 6 23 Zr 0.07324523025213 0.00000000000000 0.74410243588830 91.224 > 7 24 Zr 0.07324523025213 0.50000000000000 0.74410243588830 91.224 > 7 25 Zr 0.92675476974787 0.00000000000000 0.25589756411170 91.224 > 6 26 Zr 0.92675476974787 0.50000000000000 0.25589756411170 91.224 > 6 27 Zr 0.57324523025213 0.25000000000000 0.74410243588830 91.224 > 7 28 Zr 0.57324523025213 0.75000000000000 0.74410243588830 91.224 > 7 *29 F 0.18140346772431 0.38140357277333 0.64300557709813 18.998 > 8 30 F 0.18140346772431 0.88140357277333 0.64300557709813 18.998 > 8 *31 F 0.43840856805546 0.36895117958427 0.75017019751530 18.998 > 9 32 F 0.43840856805546 0.86895117958427 0.75017019751530 18.998 > 9 33 F 0.18140346772431 0.11859642722666 0.64300557709813 18.998 > 10 34 F 0.18140346772431 0.61859642722666 0.64300557709813 18.998 > 10 *35 F 0.36620365919466 0.13710606159854 0.07023945597195 18.998 > 11 36 F 0.36620365919466 0.63710606159854 0.07023945597195 18.998 > 11 37 F 0.06159143194454 0.38104882041573 0.24982980248470 18.998 > 12 38 F 0.06159143194454 0.88104882041573 0.24982980248470 18.998 > 12 39 F 0.31859653227569 0.36859642722667 0.35699442290187 18.998 > 13 40 F 0.31859653227569 0.86859642722667 0.35699442290187 18.998 > 13 41 F 0.31859653227569 0.13140357277334 0.35699442290187 18.998 > 14 42 F 0.31859653227569 0.63140357277334 0.35699442290187 18.998 > 14 43 F 0.36620365919466 0.36289393840146 0.07023945597195 18.998 > 15 44 F 0.36620365919466 0.86289393840146 0.07023945597195 18.998 > 15 45 F 0.13379634080534 0.38710606159854 0.92976054402805 18.998 > 16 46 F 0.13379634080534 0.88710606159854 0.92976054402805 18.998 > 16 47 F 0.13379634080534 0.11289393840146 0.92976054402805 18.998 > 17 48 F 0.13379634080534 0.61289393840146 0.92976054402805 18.998 > 17 49 F 0.43840856805546 0.13104882041573 0.75017019751530 18.998 > 18 50 F 0.43840856805546 0.63104882041573 0.75017019751530 18.998 > 18 51 F 0.06159143194454 0.11895117958427 0.24982980248470 18.998 > 19 52 F 0.06159143194454 0.61895117958427 0.24982980248470 18.998 > 19 *53 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 20 54 F 0.00000000000000 0.50000000000000 0.50000000000000 18.998 > 20 55 F 0.68140346772431 0.13140357277334 0.64300557709813 18.998 > 8 56 F 0.68140346772431 0.63140357277334 0.64300557709813 18.998 > 8 57 F 0.93840856805546 0.11895117958427 0.75017019751530 18.998 > 9 58 F 0.93840856805546 0.61895117958427 0.75017019751530 18.998 > 9 59 F 0.68140346772431 0.36859642722667 0.64300557709813 18.998 > 10 60 F 0.68140346772431 0.86859642722667 0.64300557709813 18.998 > 10 61 F 0.86620365919466 0.38710606159854 0.07023945597195 18.998 > 11 62 F 0.86620365919466 0.88710606159854 0.07023945597195 18.998 > 11 63 F 0.56159143194454 0.13104882041573 0.24982980248470 18.998 > 12 64 F 0.56159143194454 0.63104882041573 0.24982980248470 18.998 > 12 65 F 0.81859653227569 0.11859642722666 0.35699442290187 18.998 > 13 66 F 0.81859653227569 0.61859642722666 0.35699442290187 18.998 > 13 67 F 0.81859653227569 0.38140357277333 0.35699442290187 18.998 > 14 68 F 0.81859653227569 0.88140357277333 0.35699442290187 18.998 > 14 69 F 0.86620365919466 0.11289393840146 0.07023945597195 18.998 > 15 70 F 0.86620365919466 0.61289393840146 0.07023945597195 18.998 > 15 71 F 0.63379634080534 0.13710606159854 0.92976054402805 18.998 > 16 72 F 0.63379634080534 0.63710606159854 0.92976054402805 18.998 > 16 73 F 0.63379634080534 0.36289393840146 0.92976054402805 18.998 > 17 74 F 0.63379634080534 0.86289393840146 0.92976054402805 18.998 > 17 75 F 0.93840856805546 0.38104882041573 0.75017019751530 18.998 > 18 76 F 0.93840856805546 0.88104882041573 0.75017019751530 18.998 > 18 77 F 0.56159143194454 0.36895117958427 0.24982980248470 18.998 > 19 78 F 0.56159143194454 0.86895117958427 0.24982980248470 18.998 > 19 79 F 0.50000000000000 0.25000000000000 0.50000000000000 18.998 > 20 80 F 0.50000000000000 0.75000000000000 0.50000000000000 18.998 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1052081 0.0000000 0.0059851 0.0000000 2.1259471 0.0000000 0.0059841 0.0000000 2.1401592 -------------------------- Born effective charges -------------------------- 1 Na 1.1415829 0.0000000 0.0028646 0.0000000 1.1440916 -0.0000000 -0.0207042 -0.0000000 1.0848975 2 Na 1.2275002 0.0000000 0.0587327 0.0000000 1.0391170 -0.0000000 0.0964606 -0.0000000 1.0600268 3 Na 0.8966299 0.0000000 -0.1604339 0.0000000 1.2715542 -0.0000000 -0.1907889 -0.0000000 1.1150434 4 Na 1.2275002 0.0000000 0.0587327 0.0000000 1.0391170 -0.0000000 0.0964606 -0.0000000 1.0600268 5 Na 1.1415829 0.0000000 0.0028646 0.0000000 1.1440916 -0.0000000 -0.0207042 -0.0000000 1.0848975 6 Zr 4.0427536 0.0000000 0.0750175 0.0000000 4.2270719 -0.0000000 0.0699221 -0.0000000 4.4370924 7 Zr 4.0427536 0.0000000 0.0750175 0.0000000 4.2270719 -0.0000000 0.0699221 -0.0000000 4.4370924 8 F -1.1861847 0.3956970 0.2718441 0.4530209 -1.1598730 -0.2573589 0.2312907 -0.1898352 -0.9058915 9 F -1.2869334 0.4407300 -0.0140866 0.5114753 -1.1615092 0.0053102 0.0668290 -0.0515723 -0.7655857 10 F -1.1861847 -0.3956970 0.2718441 -0.4530209 -1.1598730 0.2573589 0.2312907 0.1898352 -0.9058915 11 F -0.7713848 -0.1404814 -0.1452506 -0.1651276 -1.0718764 -0.4024212 -0.1890574 -0.4377799 -1.2778140 12 F -1.2869334 0.4407300 -0.0140866 0.5114753 -1.1615092 0.0053102 0.0668290 -0.0515723 -0.7655857 13 F -1.1861847 0.3956970 0.2718441 0.4530209 -1.1598730 -0.2573589 0.2312907 -0.1898352 -0.9058915 14 F -1.1861847 -0.3956970 0.2718441 -0.4530209 -1.1598730 0.2573589 0.2312907 0.1898352 -0.9058915 15 F -0.7713848 0.1404814 -0.1452506 0.1651276 -1.0718764 0.4024212 -0.1890574 0.4377799 -1.2778140 16 F -0.7713848 0.1404814 -0.1452506 0.1651276 -1.0718764 0.4024212 -0.1890574 0.4377799 -1.2778140 17 F -0.7713848 -0.1404814 -0.1452506 -0.1651276 -1.0718764 -0.4024212 -0.1890574 -0.4377799 -1.2778140 18 F -1.2869334 -0.4407300 -0.0140866 -0.5114753 -1.1615092 -0.0053102 0.0668290 0.0515723 -0.7655857 19 F -1.2869334 -0.4407300 -0.0140866 -0.5114753 -1.1615092 -0.0053102 0.0668290 0.0515723 -0.7655857 20 F -0.7422919 0.0000000 -0.5628233 0.0000000 -0.5190811 -0.0000000 -0.5368177 -0.0000000 -2.4819122 ---------------------------------------------------------------------------- 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: 9042/9042 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 249 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1866), data: False |-- (249, 241), data: True |-- (249, 241), data: True |-- (249, 241), data: True |-- (366, 360), data: True |-- (366, 360), data: True |-- (438, 423), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.227 Solver_block: 200 / 640 - Time: 2.239 Solver_block: 300 / 640 - Time: 2.226 Solver_block: 400 / 640 - Time: 2.229 Solver_block: 500 / 640 - Time: 2.232 Solver_block: 600 / 640 - Time: 2.228 Solver_block: 640 / 640 - Time: 0.966 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.394 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 9042/9042 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 249 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1866), data: False |-- (249, 241), data: True |-- (249, 241), data: True |-- (249, 241), data: True |-- (366, 360), data: True |-- (366, 360), data: True |-- (438, 423), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:57:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:57:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.804097990005694 -2.753084115000000 0.000000000000000 b 5.804097990005694 2.753084115000000 0.000000000000000 c -1.071332246942136 0.000000000000000 8.362083850660188 Atomic positions (fractional): 1 Na 0.33627760595916 0.33627760595916 0.57203385415713 22.990 2 Na 0.77782376751883 0.77782376751883 0.84558731524459 22.990 3 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 4 Na 0.22217623248117 0.22217623248117 0.15441268475541 22.990 5 Na 0.66372239404084 0.66372239404084 0.42796614584287 22.990 6 Zr 0.92675476974787 0.92675476974787 0.25589756411170 91.224 7 Zr 0.07324523025213 0.07324523025213 0.74410243588830 91.224 8 F 0.41859632217764 0.94421061327098 0.64300557709813 18.998 9 F 0.70050620888693 0.17631092722400 0.75017019751530 18.998 10 F 0.94421061327098 0.41859632217764 0.64300557709813 18.998 11 F 0.09199153599758 0.64041578239174 0.07023945597195 18.998 12 F 0.29949379111307 0.82368907277600 0.24982980248470 18.998 13 F 0.58140367782236 0.05578938672902 0.35699442290187 18.998 14 F 0.05578938672902 0.58140367782236 0.35699442290187 18.998 15 F 0.64041578239174 0.09199153599758 0.07023945597195 18.998 16 F 0.35958421760826 0.90800846400242 0.92976054402805 18.998 17 F 0.90800846400242 0.35958421760826 0.92976054402805 18.998 18 F 0.17631092722400 0.70050620888693 0.75017019751530 18.998 19 F 0.82368907277600 0.29949379111307 0.24982980248470 18.998 20 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.608195980011388 0.000000000000000 0.000000000000000 b 0.000000000000000 11.012336460000000 0.000000000000000 c -1.071332246942136 0.000000000000000 8.362083850660188 Atomic positions (fractional): 1 Na 0.33627760595916 0.00000000000000 0.57203385415713 22.990 > 1 2 Na 0.33627760595916 0.50000000000000 0.57203385415713 22.990 > 1 3 Na 0.27782376751883 0.25000000000000 0.84558731524459 22.990 > 3 4 Na 0.27782376751883 0.75000000000000 0.84558731524459 22.990 > 3 5 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 5 6 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 5 7 Na 0.22217623248117 0.00000000000000 0.15441268475541 22.990 > 7 8 Na 0.22217623248117 0.50000000000000 0.15441268475541 22.990 > 7 9 Na 0.16372239404084 0.25000000000000 0.42796614584287 22.990 > 9 10 Na 0.16372239404084 0.75000000000000 0.42796614584287 22.990 > 9 11 Na 0.83627760595916 0.25000000000000 0.57203385415713 22.990 > 1 12 Na 0.83627760595916 0.75000000000000 0.57203385415713 22.990 > 1 13 Na 0.77782376751883 0.00000000000000 0.84558731524459 22.990 > 3 14 Na 0.77782376751883 0.50000000000000 0.84558731524459 22.990 > 3 15 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 5 16 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 5 17 Na 0.72217623248117 0.25000000000000 0.15441268475541 22.990 > 7 18 Na 0.72217623248117 0.75000000000000 0.15441268475541 22.990 > 7 19 Na 0.66372239404084 0.00000000000000 0.42796614584287 22.990 > 9 20 Na 0.66372239404084 0.50000000000000 0.42796614584287 22.990 > 9 21 Zr 0.42675476974787 0.25000000000000 0.25589756411170 91.224 > 21 22 Zr 0.42675476974787 0.75000000000000 0.25589756411170 91.224 > 21 23 Zr 0.07324523025213 0.00000000000000 0.74410243588830 91.224 > 23 24 Zr 0.07324523025213 0.50000000000000 0.74410243588830 91.224 > 23 25 Zr 0.92675476974787 0.00000000000000 0.25589756411170 91.224 > 21 26 Zr 0.92675476974787 0.50000000000000 0.25589756411170 91.224 > 21 27 Zr 0.57324523025213 0.25000000000000 0.74410243588830 91.224 > 23 28 Zr 0.57324523025213 0.75000000000000 0.74410243588830 91.224 > 23 29 F 0.18140346772431 0.38140357277333 0.64300557709813 18.998 > 29 30 F 0.18140346772431 0.88140357277333 0.64300557709813 18.998 > 29 31 F 0.43840856805546 0.36895117958427 0.75017019751530 18.998 > 31 32 F 0.43840856805546 0.86895117958427 0.75017019751530 18.998 > 31 33 F 0.18140346772431 0.11859642722666 0.64300557709813 18.998 > 33 34 F 0.18140346772431 0.61859642722666 0.64300557709813 18.998 > 33 35 F 0.36620365919466 0.13710606159854 0.07023945597195 18.998 > 35 36 F 0.36620365919466 0.63710606159854 0.07023945597195 18.998 > 35 37 F 0.06159143194454 0.38104882041573 0.24982980248470 18.998 > 37 38 F 0.06159143194454 0.88104882041573 0.24982980248470 18.998 > 37 39 F 0.31859653227569 0.36859642722667 0.35699442290187 18.998 > 39 40 F 0.31859653227569 0.86859642722667 0.35699442290187 18.998 > 39 41 F 0.31859653227569 0.13140357277334 0.35699442290187 18.998 > 41 42 F 0.31859653227569 0.63140357277334 0.35699442290187 18.998 > 41 43 F 0.36620365919466 0.36289393840146 0.07023945597195 18.998 > 43 44 F 0.36620365919466 0.86289393840146 0.07023945597195 18.998 > 43 45 F 0.13379634080534 0.38710606159854 0.92976054402805 18.998 > 45 46 F 0.13379634080534 0.88710606159854 0.92976054402805 18.998 > 45 47 F 0.13379634080534 0.11289393840146 0.92976054402805 18.998 > 47 48 F 0.13379634080534 0.61289393840146 0.92976054402805 18.998 > 47 49 F 0.43840856805546 0.13104882041573 0.75017019751530 18.998 > 49 50 F 0.43840856805546 0.63104882041573 0.75017019751530 18.998 > 49 51 F 0.06159143194454 0.11895117958427 0.24982980248470 18.998 > 51 52 F 0.06159143194454 0.61895117958427 0.24982980248470 18.998 > 51 53 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 53 54 F 0.00000000000000 0.50000000000000 0.50000000000000 18.998 > 53 55 F 0.68140346772431 0.13140357277334 0.64300557709813 18.998 > 29 56 F 0.68140346772431 0.63140357277334 0.64300557709813 18.998 > 29 57 F 0.93840856805546 0.11895117958427 0.75017019751530 18.998 > 31 58 F 0.93840856805546 0.61895117958427 0.75017019751530 18.998 > 31 59 F 0.68140346772431 0.36859642722667 0.64300557709813 18.998 > 33 60 F 0.68140346772431 0.86859642722667 0.64300557709813 18.998 > 33 61 F 0.86620365919466 0.38710606159854 0.07023945597195 18.998 > 35 62 F 0.86620365919466 0.88710606159854 0.07023945597195 18.998 > 35 63 F 0.56159143194454 0.13104882041573 0.24982980248470 18.998 > 37 64 F 0.56159143194454 0.63104882041573 0.24982980248470 18.998 > 37 65 F 0.81859653227569 0.11859642722666 0.35699442290187 18.998 > 39 66 F 0.81859653227569 0.61859642722666 0.35699442290187 18.998 > 39 67 F 0.81859653227569 0.38140357277333 0.35699442290187 18.998 > 41 68 F 0.81859653227569 0.88140357277333 0.35699442290187 18.998 > 41 69 F 0.86620365919466 0.11289393840146 0.07023945597195 18.998 > 43 70 F 0.86620365919466 0.61289393840146 0.07023945597195 18.998 > 43 71 F 0.63379634080534 0.13710606159854 0.92976054402805 18.998 > 45 72 F 0.63379634080534 0.63710606159854 0.92976054402805 18.998 > 45 73 F 0.63379634080534 0.36289393840146 0.92976054402805 18.998 > 47 74 F 0.63379634080534 0.86289393840146 0.92976054402805 18.998 > 47 75 F 0.93840856805546 0.38104882041573 0.75017019751530 18.998 > 49 76 F 0.93840856805546 0.88104882041573 0.75017019751530 18.998 > 49 77 F 0.56159143194454 0.36895117958427 0.24982980248470 18.998 > 51 78 F 0.56159143194454 0.86895117958427 0.24982980248470 18.998 > 51 79 F 0.50000000000000 0.25000000000000 0.50000000000000 18.998 > 53 80 F 0.50000000000000 0.75000000000000 0.50000000000000 18.998 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1052081 0.0000000 0.0059851 0.0000000 2.1259471 0.0000000 0.0059841 0.0000000 2.1401592 -------------------------- Born effective charges -------------------------- 1 Na 1.1415829 0.0000000 0.0028646 0.0000000 1.1440916 -0.0000000 -0.0207042 -0.0000000 1.0848975 2 Na 1.2275002 0.0000000 0.0587327 0.0000000 1.0391170 -0.0000000 0.0964606 -0.0000000 1.0600268 3 Na 0.8966299 0.0000000 -0.1604339 0.0000000 1.2715542 -0.0000000 -0.1907889 -0.0000000 1.1150434 4 Na 1.2275002 0.0000000 0.0587327 0.0000000 1.0391170 -0.0000000 0.0964606 -0.0000000 1.0600268 5 Na 1.1415829 0.0000000 0.0028646 0.0000000 1.1440916 -0.0000000 -0.0207042 -0.0000000 1.0848975 6 Zr 4.0427536 0.0000000 0.0750175 0.0000000 4.2270719 -0.0000000 0.0699221 -0.0000000 4.4370924 7 Zr 4.0427536 0.0000000 0.0750175 0.0000000 4.2270719 -0.0000000 0.0699221 -0.0000000 4.4370924 8 F -1.1861847 0.3956970 0.2718441 0.4530209 -1.1598730 -0.2573589 0.2312907 -0.1898352 -0.9058915 9 F -1.2869334 0.4407300 -0.0140866 0.5114753 -1.1615092 0.0053102 0.0668290 -0.0515723 -0.7655857 10 F -1.1861847 -0.3956970 0.2718441 -0.4530209 -1.1598730 0.2573589 0.2312907 0.1898352 -0.9058915 11 F -0.7713848 -0.1404814 -0.1452506 -0.1651276 -1.0718764 -0.4024212 -0.1890574 -0.4377799 -1.2778140 12 F -1.2869334 0.4407300 -0.0140866 0.5114753 -1.1615092 0.0053102 0.0668290 -0.0515723 -0.7655857 13 F -1.1861847 0.3956970 0.2718441 0.4530209 -1.1598730 -0.2573589 0.2312907 -0.1898352 -0.9058915 14 F -1.1861847 -0.3956970 0.2718441 -0.4530209 -1.1598730 0.2573589 0.2312907 0.1898352 -0.9058915 15 F -0.7713848 0.1404814 -0.1452506 0.1651276 -1.0718764 0.4024212 -0.1890574 0.4377799 -1.2778140 16 F -0.7713848 0.1404814 -0.1452506 0.1651276 -1.0718764 0.4024212 -0.1890574 0.4377799 -1.2778140 17 F -0.7713848 -0.1404814 -0.1452506 -0.1651276 -1.0718764 -0.4024212 -0.1890574 -0.4377799 -1.2778140 18 F -1.2869334 -0.4407300 -0.0140866 -0.5114753 -1.1615092 -0.0053102 0.0668290 0.0515723 -0.7655857 19 F -1.2869334 -0.4407300 -0.0140866 -0.5114753 -1.1615092 -0.0053102 0.0668290 0.0515723 -0.7655857 20 F -0.7422919 0.0000000 -0.5628233 0.0000000 -0.5190811 -0.0000000 -0.5368177 -0.0000000 -2.4819122 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 3, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 5, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 21, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 31, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 35, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 53, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:57:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:57:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.804097990005694 -2.753084115000000 0.000000000000000 b 5.804097990005694 2.753084115000000 0.000000000000000 c -1.071332246942136 0.000000000000000 8.362083850660188 Atomic positions (fractional): 1 Na 0.33627760595916 0.33627760595916 0.57203385415713 22.990 2 Na 0.77782376751883 0.77782376751883 0.84558731524459 22.990 3 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 4 Na 0.22217623248117 0.22217623248117 0.15441268475541 22.990 5 Na 0.66372239404084 0.66372239404084 0.42796614584287 22.990 6 Zr 0.92675476974787 0.92675476974787 0.25589756411170 91.224 7 Zr 0.07324523025213 0.07324523025213 0.74410243588830 91.224 8 F 0.41859632217764 0.94421061327098 0.64300557709813 18.998 9 F 0.70050620888693 0.17631092722400 0.75017019751530 18.998 10 F 0.94421061327098 0.41859632217764 0.64300557709813 18.998 11 F 0.09199153599758 0.64041578239174 0.07023945597195 18.998 12 F 0.29949379111307 0.82368907277600 0.24982980248470 18.998 13 F 0.58140367782236 0.05578938672902 0.35699442290187 18.998 14 F 0.05578938672902 0.58140367782236 0.35699442290187 18.998 15 F 0.64041578239174 0.09199153599758 0.07023945597195 18.998 16 F 0.35958421760826 0.90800846400242 0.92976054402805 18.998 17 F 0.90800846400242 0.35958421760826 0.92976054402805 18.998 18 F 0.17631092722400 0.70050620888693 0.75017019751530 18.998 19 F 0.82368907277600 0.29949379111307 0.24982980248470 18.998 20 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.608195980011388 0.000000000000000 0.000000000000000 b 0.000000000000000 11.012336460000000 0.000000000000000 c -1.071332246942136 0.000000000000000 8.362083850660188 Atomic positions (fractional): 1 Na 0.33627760595916 0.00000000000000 0.57203385415713 22.990 > 1 2 Na 0.33627760595916 0.50000000000000 0.57203385415713 22.990 > 1 3 Na 0.27782376751883 0.25000000000000 0.84558731524459 22.990 > 3 4 Na 0.27782376751883 0.75000000000000 0.84558731524459 22.990 > 3 5 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 5 6 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 5 7 Na 0.22217623248117 0.00000000000000 0.15441268475541 22.990 > 7 8 Na 0.22217623248117 0.50000000000000 0.15441268475541 22.990 > 7 9 Na 0.16372239404084 0.25000000000000 0.42796614584287 22.990 > 9 10 Na 0.16372239404084 0.75000000000000 0.42796614584287 22.990 > 9 11 Na 0.83627760595916 0.25000000000000 0.57203385415713 22.990 > 1 12 Na 0.83627760595916 0.75000000000000 0.57203385415713 22.990 > 1 13 Na 0.77782376751883 0.00000000000000 0.84558731524459 22.990 > 3 14 Na 0.77782376751883 0.50000000000000 0.84558731524459 22.990 > 3 15 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 5 16 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 5 17 Na 0.72217623248117 0.25000000000000 0.15441268475541 22.990 > 7 18 Na 0.72217623248117 0.75000000000000 0.15441268475541 22.990 > 7 19 Na 0.66372239404084 0.00000000000000 0.42796614584287 22.990 > 9 20 Na 0.66372239404084 0.50000000000000 0.42796614584287 22.990 > 9 21 Zr 0.42675476974787 0.25000000000000 0.25589756411170 91.224 > 21 22 Zr 0.42675476974787 0.75000000000000 0.25589756411170 91.224 > 21 23 Zr 0.07324523025213 0.00000000000000 0.74410243588830 91.224 > 23 24 Zr 0.07324523025213 0.50000000000000 0.74410243588830 91.224 > 23 25 Zr 0.92675476974787 0.00000000000000 0.25589756411170 91.224 > 21 26 Zr 0.92675476974787 0.50000000000000 0.25589756411170 91.224 > 21 27 Zr 0.57324523025213 0.25000000000000 0.74410243588830 91.224 > 23 28 Zr 0.57324523025213 0.75000000000000 0.74410243588830 91.224 > 23 29 F 0.18140346772431 0.38140357277333 0.64300557709813 18.998 > 29 30 F 0.18140346772431 0.88140357277333 0.64300557709813 18.998 > 29 31 F 0.43840856805546 0.36895117958427 0.75017019751530 18.998 > 31 32 F 0.43840856805546 0.86895117958427 0.75017019751530 18.998 > 31 33 F 0.18140346772431 0.11859642722666 0.64300557709813 18.998 > 33 34 F 0.18140346772431 0.61859642722666 0.64300557709813 18.998 > 33 35 F 0.36620365919466 0.13710606159854 0.07023945597195 18.998 > 35 36 F 0.36620365919466 0.63710606159854 0.07023945597195 18.998 > 35 37 F 0.06159143194454 0.38104882041573 0.24982980248470 18.998 > 37 38 F 0.06159143194454 0.88104882041573 0.24982980248470 18.998 > 37 39 F 0.31859653227569 0.36859642722667 0.35699442290187 18.998 > 39 40 F 0.31859653227569 0.86859642722667 0.35699442290187 18.998 > 39 41 F 0.31859653227569 0.13140357277334 0.35699442290187 18.998 > 41 42 F 0.31859653227569 0.63140357277334 0.35699442290187 18.998 > 41 43 F 0.36620365919466 0.36289393840146 0.07023945597195 18.998 > 43 44 F 0.36620365919466 0.86289393840146 0.07023945597195 18.998 > 43 45 F 0.13379634080534 0.38710606159854 0.92976054402805 18.998 > 45 46 F 0.13379634080534 0.88710606159854 0.92976054402805 18.998 > 45 47 F 0.13379634080534 0.11289393840146 0.92976054402805 18.998 > 47 48 F 0.13379634080534 0.61289393840146 0.92976054402805 18.998 > 47 49 F 0.43840856805546 0.13104882041573 0.75017019751530 18.998 > 49 50 F 0.43840856805546 0.63104882041573 0.75017019751530 18.998 > 49 51 F 0.06159143194454 0.11895117958427 0.24982980248470 18.998 > 51 52 F 0.06159143194454 0.61895117958427 0.24982980248470 18.998 > 51 53 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 53 54 F 0.00000000000000 0.50000000000000 0.50000000000000 18.998 > 53 55 F 0.68140346772431 0.13140357277334 0.64300557709813 18.998 > 29 56 F 0.68140346772431 0.63140357277334 0.64300557709813 18.998 > 29 57 F 0.93840856805546 0.11895117958427 0.75017019751530 18.998 > 31 58 F 0.93840856805546 0.61895117958427 0.75017019751530 18.998 > 31 59 F 0.68140346772431 0.36859642722667 0.64300557709813 18.998 > 33 60 F 0.68140346772431 0.86859642722667 0.64300557709813 18.998 > 33 61 F 0.86620365919466 0.38710606159854 0.07023945597195 18.998 > 35 62 F 0.86620365919466 0.88710606159854 0.07023945597195 18.998 > 35 63 F 0.56159143194454 0.13104882041573 0.24982980248470 18.998 > 37 64 F 0.56159143194454 0.63104882041573 0.24982980248470 18.998 > 37 65 F 0.81859653227569 0.11859642722666 0.35699442290187 18.998 > 39 66 F 0.81859653227569 0.61859642722666 0.35699442290187 18.998 > 39 67 F 0.81859653227569 0.38140357277333 0.35699442290187 18.998 > 41 68 F 0.81859653227569 0.88140357277333 0.35699442290187 18.998 > 41 69 F 0.86620365919466 0.11289393840146 0.07023945597195 18.998 > 43 70 F 0.86620365919466 0.61289393840146 0.07023945597195 18.998 > 43 71 F 0.63379634080534 0.13710606159854 0.92976054402805 18.998 > 45 72 F 0.63379634080534 0.63710606159854 0.92976054402805 18.998 > 45 73 F 0.63379634080534 0.36289393840146 0.92976054402805 18.998 > 47 74 F 0.63379634080534 0.86289393840146 0.92976054402805 18.998 > 47 75 F 0.93840856805546 0.38104882041573 0.75017019751530 18.998 > 49 76 F 0.93840856805546 0.88104882041573 0.75017019751530 18.998 > 49 77 F 0.56159143194454 0.36895117958427 0.24982980248470 18.998 > 51 78 F 0.56159143194454 0.86895117958427 0.24982980248470 18.998 > 51 79 F 0.50000000000000 0.25000000000000 0.50000000000000 18.998 > 53 80 F 0.50000000000000 0.75000000000000 0.50000000000000 18.998 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1052081 0.0000000 0.0059851 0.0000000 2.1259471 0.0000000 0.0059841 0.0000000 2.1401592 -------------------------- Born effective charges -------------------------- 1 Na 1.1415829 0.0000000 0.0028646 0.0000000 1.1440916 -0.0000000 -0.0207042 -0.0000000 1.0848975 2 Na 1.2275002 0.0000000 0.0587327 0.0000000 1.0391170 -0.0000000 0.0964606 -0.0000000 1.0600268 3 Na 0.8966299 0.0000000 -0.1604339 0.0000000 1.2715542 -0.0000000 -0.1907889 -0.0000000 1.1150434 4 Na 1.2275002 0.0000000 0.0587327 0.0000000 1.0391170 -0.0000000 0.0964606 -0.0000000 1.0600268 5 Na 1.1415829 0.0000000 0.0028646 0.0000000 1.1440916 -0.0000000 -0.0207042 -0.0000000 1.0848975 6 Zr 4.0427536 0.0000000 0.0750175 0.0000000 4.2270719 -0.0000000 0.0699221 -0.0000000 4.4370924 7 Zr 4.0427536 0.0000000 0.0750175 0.0000000 4.2270719 -0.0000000 0.0699221 -0.0000000 4.4370924 8 F -1.1861847 0.3956970 0.2718441 0.4530209 -1.1598730 -0.2573589 0.2312907 -0.1898352 -0.9058915 9 F -1.2869334 0.4407300 -0.0140866 0.5114753 -1.1615092 0.0053102 0.0668290 -0.0515723 -0.7655857 10 F -1.1861847 -0.3956970 0.2718441 -0.4530209 -1.1598730 0.2573589 0.2312907 0.1898352 -0.9058915 11 F -0.7713848 -0.1404814 -0.1452506 -0.1651276 -1.0718764 -0.4024212 -0.1890574 -0.4377799 -1.2778140 12 F -1.2869334 0.4407300 -0.0140866 0.5114753 -1.1615092 0.0053102 0.0668290 -0.0515723 -0.7655857 13 F -1.1861847 0.3956970 0.2718441 0.4530209 -1.1598730 -0.2573589 0.2312907 -0.1898352 -0.9058915 14 F -1.1861847 -0.3956970 0.2718441 -0.4530209 -1.1598730 0.2573589 0.2312907 0.1898352 -0.9058915 15 F -0.7713848 0.1404814 -0.1452506 0.1651276 -1.0718764 0.4024212 -0.1890574 0.4377799 -1.2778140 16 F -0.7713848 0.1404814 -0.1452506 0.1651276 -1.0718764 0.4024212 -0.1890574 0.4377799 -1.2778140 17 F -0.7713848 -0.1404814 -0.1452506 -0.1651276 -1.0718764 -0.4024212 -0.1890574 -0.4377799 -1.2778140 18 F -1.2869334 -0.4407300 -0.0140866 -0.5114753 -1.1615092 -0.0053102 0.0668290 0.0515723 -0.7655857 19 F -1.2869334 -0.4407300 -0.0140866 -0.5114753 -1.1615092 -0.0053102 0.0668290 0.0515723 -0.7655857 20 F -0.7422919 0.0000000 -0.5628233 0.0000000 -0.5190811 -0.0000000 -0.5368177 -0.0000000 -2.4819122 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 6 ] 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: 0.64, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.482 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.206 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.330 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 10.624 ( 0.000 0.000 0.000) 0.000 11.379 ( 0.000 0.000 0.000) 0.000 12.345 ( 0.000 0.000 0.000) 0.000 12.847 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 13.679 ( 0.000 0.000 0.000) 0.000 13.743 ( 0.000 0.000 0.000) 0.000 13.744 ( 0.000 0.000 0.000) 0.000 14.154 ( 0.000 0.000 0.000) 0.000 14.635 ( 0.000 0.000 0.000) 0.000 15.335 ( 0.000 0.000 0.000) 0.000 16.327 ( 0.000 0.000 0.000) 0.000 17.015 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 18.533 -15.563 -2.003) 24.284 0.553 ( 15.360 -21.694 5.946) 27.238 0.990 ( 12.260 -43.279 8.063) 45.699 1.674 ( 0.785 -20.847 -0.146) 20.862 2.278 ( -1.020 -15.783 0.544) 15.825 2.445 ( -13.968 -18.319 -4.452) 23.463 2.700 ( -0.928 4.976 2.573) 5.678 2.786 ( -2.224 1.355 -4.631) 5.313 2.992 ( -1.086 -8.992 1.319) 9.153 3.081 ( -0.752 -1.399 -2.729) 3.157 3.376 ( -3.001 -3.049 11.484) 12.255 3.464 ( 1.706 -6.057 -3.546) 7.223 3.525 ( 3.719 -7.554 -2.304) 8.729 4.127 ( -4.686 -0.360 -4.967) 6.838 4.386 ( 0.611 2.821 3.288) 4.376 4.525 ( 0.063 -1.612 -0.134) 1.619 4.611 ( 0.803 1.985 -1.050) 2.385 4.774 ( 1.246 2.013 -4.568) 5.145 4.931 ( 1.189 3.755 -0.930) 4.047 4.971 ( 1.333 7.487 0.160) 7.607 5.165 ( 0.598 0.444 -0.812) 1.102 5.194 ( 0.276 1.142 -1.688) 2.056 5.366 ( -0.339 -6.647 -3.870) 7.699 5.588 ( -1.235 0.351 -8.239) 8.338 5.628 ( 4.280 0.961 10.645) 11.513 5.882 ( -1.493 -6.907 3.148) 7.736 6.071 ( 19.445 10.686 6.812) 23.210 6.171 ( -3.512 3.082 -4.476) 6.471 6.218 ( -0.159 0.232 -0.081) 0.293 6.503 ( 0.186 -1.970 0.020) 1.979 7.166 ( -7.002 2.455 -3.026) 8.013 7.280 ( 6.445 10.718 -7.018) 14.341 7.464 ( -2.012 6.239 7.225) 9.755 7.539 ( -4.891 -0.486 3.438) 5.998 7.624 ( -4.987 -6.215 1.022) 8.034 7.728 ( 6.909 -5.481 -1.191) 8.899 8.169 ( -8.999 -5.729 2.542) 10.966 8.175 ( -1.445 1.423 0.276) 2.047 8.279 ( -0.949 -7.581 5.847) 9.621 8.340 ( 5.196 1.253 -5.208) 7.462 8.522 ( -10.651 -7.054 -7.177) 14.653 8.932 ( 24.903 11.970 9.474) 29.210 9.438 ( -1.094 1.221 -1.279) 2.079 9.637 ( 0.552 2.711 -1.538) 3.165 9.738 ( 2.953 3.584 6.118) 7.680 10.326 ( -1.703 1.452 -2.433) 3.306 10.395 ( 0.857 6.267 1.831) 6.585 10.860 ( -3.436 -8.559 -0.329) 9.229 11.474 ( 0.493 -9.422 1.664) 9.580 12.434 ( -3.429 -5.146 -0.634) 6.216 12.901 ( 0.299 -5.567 0.042) 5.576 12.925 ( 0.628 3.824 0.850) 3.967 13.712 ( 3.334 4.400 -4.408) 7.064 13.775 ( 3.079 -7.809 1.783) 8.581 14.099 ( -2.361 4.445 1.820) 5.352 14.512 ( -14.159 -8.201 -9.906) 19.127 15.248 ( -2.325 8.489 1.832) 8.991 16.312 ( 0.175 1.694 0.371) 1.743 16.779 ( -10.394 -3.778 -24.546) 26.923 17.130 ( 11.546 9.745 30.549) 34.081 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 15.914 -17.309 -1.213) 23.544 1.045 ( 9.787 -19.254 4.373) 22.037 1.669 ( 10.830 -19.919 8.147) 24.092 2.262 ( -0.150 -38.827 -0.275) 38.828 2.539 ( -3.841 -12.356 -0.549) 12.951 2.598 ( -0.273 4.558 -0.274) 4.575 2.729 ( -2.951 -13.380 -1.434) 13.777 2.812 ( 1.238 -14.235 -4.934) 15.117 3.074 ( -3.058 -0.929 -3.538) 4.768 3.190 ( -0.868 -11.621 -0.645) 11.671 3.403 ( 0.413 -0.938 13.146) 13.186 3.618 ( -3.111 -10.279 6.989) 12.813 3.740 ( 3.742 -10.288 -6.248) 12.604 4.095 ( -5.484 -2.517 -10.256) 11.899 4.357 ( -1.573 -0.050 5.480) 5.701 4.530 ( -3.874 -0.112 -1.057) 4.017 4.572 ( -0.737 2.050 -1.842) 2.853 4.725 ( -1.423 3.129 -0.442) 3.466 4.866 ( 3.178 5.062 -0.641) 6.012 4.873 ( 0.708 2.208 -1.585) 2.809 5.144 ( 2.334 3.329 -1.967) 4.517 5.167 ( -1.488 0.892 -0.856) 1.935 5.438 ( 0.833 -1.051 -3.372) 3.629 5.565 ( -1.485 -1.375 1.123) 2.314 5.713 ( 5.174 -2.464 4.935) 7.563 5.969 ( -3.390 -1.032 4.113) 5.429 6.063 ( 8.471 2.098 4.409) 9.777 6.082 ( -0.135 1.714 -9.183) 9.343 6.223 ( 0.278 -1.067 -0.020) 1.103 6.558 ( -0.045 -4.014 0.508) 4.046 7.053 ( -4.195 4.382 1.912) 6.361 7.109 ( 2.998 10.614 -9.122) 14.313 7.307 ( -4.213 8.337 1.396) 9.445 7.471 ( -6.129 3.073 6.682) 9.574 7.716 ( -2.580 -6.130 -1.257) 6.768 7.900 ( 6.109 -6.462 -1.850) 9.083 8.128 ( -4.509 -0.752 4.426) 6.363 8.188 ( 0.029 2.073 -1.466) 2.540 8.365 ( 3.066 -2.621 1.470) 4.294 8.427 ( -2.261 -8.088 -1.379) 8.510 8.595 ( -1.082 -7.420 -2.877) 8.032 8.956 ( 10.168 2.825 7.296) 12.829 9.389 ( -1.857 2.455 -2.376) 3.888 9.569 ( 0.730 5.036 -2.621) 5.724 9.691 ( 2.540 4.741 5.099) 7.411 10.212 ( -1.648 8.603 -2.732) 9.176 10.317 ( 0.211 3.259 2.022) 3.841 11.045 ( -0.211 -13.508 -0.929) 13.541 11.701 ( 0.117 -14.139 3.434) 14.551 12.528 ( -3.856 -8.682 -1.008) 9.553 12.843 ( 0.023 4.783 -0.879) 4.863 13.064 ( -2.680 -12.804 -0.633) 13.097 13.635 ( 4.511 6.745 -6.019) 10.103 13.951 ( 6.209 4.205 2.988) 8.072 14.008 ( 2.600 -4.433 0.788) 5.200 14.511 ( 0.103 1.138 -5.255) 5.377 15.000 ( -3.946 15.711 4.533) 16.822 16.276 ( 0.345 2.445 0.445) 2.509 16.707 ( -8.427 0.618 -11.303) 14.112 17.072 ( 3.716 6.308 12.977) 14.900 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 12.885 -15.386 -0.585) 20.077 1.410 ( 3.064 -14.213 2.558) 14.763 2.060 ( 11.566 -13.602 7.136) 19.229 2.505 ( -8.438 -3.281 -3.178) 9.595 2.517 ( 0.324 4.055 0.364) 4.084 2.859 ( 3.798 -4.401 -3.358) 6.713 2.974 ( -1.001 -12.883 1.435) 13.001 3.090 ( -4.229 -11.753 -0.314) 12.494 3.257 ( 3.423 -26.970 -2.613) 27.312 3.343 ( 0.028 -8.078 1.818) 8.280 3.528 ( 0.960 -11.415 8.842) 14.470 3.741 ( -0.604 -2.910 10.450) 10.865 3.883 ( 3.566 -2.419 -4.729) 6.398 4.105 ( -5.097 -4.828 -13.457) 15.178 4.352 ( -8.182 -0.470 2.345) 8.524 4.479 ( -6.999 -0.801 -1.489) 7.200 4.534 ( 0.011 -0.863 -2.537) 2.680 4.674 ( 1.014 0.626 1.222) 1.707 4.817 ( -2.697 1.438 -3.892) 4.949 4.896 ( 3.989 -2.128 1.127) 4.659 5.083 ( 1.439 4.699 -2.999) 5.757 5.144 ( -0.731 0.373 -0.635) 1.038 5.441 ( 3.976 2.801 8.753) 10.014 5.593 ( -1.119 -2.654 -6.081) 6.728 5.763 ( 5.885 3.107 2.036) 6.960 5.898 ( -6.293 1.636 2.097) 6.832 6.096 ( 1.970 -3.396 -7.936) 8.854 6.151 ( 3.651 -2.608 5.728) 7.276 6.273 ( 1.383 -4.026 0.395) 4.275 6.647 ( 0.726 -5.057 0.093) 5.110 6.885 ( 1.295 11.389 -0.762) 11.488 7.002 ( -1.696 2.277 -5.540) 6.226 7.109 ( -6.363 7.525 -0.581) 9.871 7.351 ( -5.530 4.922 5.476) 9.209 7.751 ( -1.199 0.758 -0.425) 1.481 8.035 ( 2.218 -4.976 -0.071) 5.449 8.065 ( 2.190 8.238 -2.972) 9.027 8.212 ( -2.691 -7.565 5.408) 9.681 8.473 ( 2.802 -5.135 3.776) 6.963 8.530 ( -1.018 -5.570 -4.641) 7.321 8.757 ( 1.125 -10.013 -0.376) 10.083 9.021 ( 4.762 -1.853 6.001) 7.882 9.316 ( -1.883 3.295 -3.195) 4.961 9.464 ( 0.281 6.454 -3.205) 7.211 9.626 ( 1.876 4.968 4.138) 6.732 10.021 ( -1.041 10.379 -1.746) 10.577 10.258 ( -0.905 3.157 1.108) 3.467 11.331 ( 1.474 -16.878 -1.275) 16.990 11.968 ( -1.017 -14.084 5.142) 15.027 12.675 ( -4.568 -11.293 -1.308) 12.252 12.752 ( 0.330 5.029 -1.537) 5.269 13.306 ( -5.403 -17.034 -0.781) 17.887 13.552 ( 5.740 5.664 -7.770) 11.198 13.818 ( 3.029 9.508 3.734) 10.655 14.190 ( 18.234 1.563 1.278) 18.345 14.452 ( -4.457 3.185 -10.322) 11.685 14.658 ( -3.443 16.586 11.764) 20.624 16.235 ( 0.344 2.265 0.260) 2.305 16.592 ( -8.406 2.697 -6.090) 10.724 17.004 ( 1.267 4.425 6.171) 7.698 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 2.382 -7.963 -1.421) 8.432 1.646 ( 5.897 -9.199 2.507) 11.211 2.359 ( 5.473 -6.726 7.018) 11.156 2.467 ( -0.845 0.817 -0.494) 1.275 2.505 ( -0.093 -4.020 -2.477) 4.723 2.912 ( 1.822 1.055 -2.974) 3.643 2.991 ( 1.816 0.198 -3.055) 3.560 3.181 ( -6.745 -1.348 5.433) 8.766 3.482 ( -1.567 -2.324 -0.577) 2.861 3.643 ( 0.988 -8.042 -1.874) 8.316 3.794 ( 2.080 -5.864 11.556) 13.125 3.870 ( 0.486 -14.502 5.474) 15.509 3.952 ( 6.923 -6.368 -3.111) 9.908 4.131 ( -4.182 -3.834 -12.468) 13.698 4.250 ( -8.479 1.028 -0.368) 8.549 4.435 ( -4.594 -2.405 -1.488) 5.395 4.615 ( 0.368 -4.477 1.672) 4.793 4.704 ( -1.965 -0.249 -0.900) 2.175 4.763 ( -0.437 -0.164 -2.047) 2.099 4.967 ( 2.242 2.196 1.621) 3.532 5.017 ( 2.101 -0.056 -4.390) 4.867 5.126 ( -1.524 0.810 -0.431) 1.779 5.420 ( 1.127 3.110 7.847) 8.516 5.629 ( 4.249 -0.963 -6.742) 8.027 5.751 ( 2.854 1.493 2.229) 3.917 5.819 ( -4.604 2.277 1.128) 5.259 6.186 ( -0.015 -4.998 -5.401) 7.359 6.208 ( 0.823 -1.270 4.183) 4.448 6.396 ( 2.934 -6.664 2.040) 7.561 6.660 ( 0.291 6.495 -1.378) 6.646 6.792 ( 2.504 -2.234 0.251) 3.365 6.868 ( -5.203 7.855 -2.130) 9.660 7.013 ( -1.970 -0.072 -2.083) 2.868 7.230 ( -3.656 3.849 2.958) 6.078 7.699 ( -1.169 2.675 0.712) 3.005 7.925 ( 1.767 7.530 -1.452) 7.870 8.137 ( 1.031 -4.206 -0.525) 4.363 8.318 ( -1.784 -4.396 3.846) 6.107 8.581 ( 2.274 -3.361 1.692) 4.397 8.620 ( 0.050 -5.175 -2.434) 5.719 8.955 ( 1.432 -9.867 0.371) 9.977 9.104 ( 2.233 -2.758 4.494) 5.726 9.236 ( -1.172 3.641 -2.867) 4.780 9.344 ( -0.459 5.806 -2.995) 6.550 9.563 ( 0.879 3.265 2.363) 4.125 9.831 ( -0.899 8.668 -1.269) 8.807 10.197 ( -0.897 2.447 0.677) 2.693 11.650 ( 2.087 -15.508 -1.382) 15.709 12.150 ( -2.786 -5.430 4.670) 7.685 12.673 ( 1.708 3.265 -0.121) 3.687 12.849 ( -4.129 -11.038 -1.846) 11.929 13.502 ( 3.124 0.890 -4.743) 5.749 13.549 ( 0.238 -6.498 -1.624) 6.702 13.749 ( -4.970 -6.317 0.579) 8.059 14.141 ( 4.683 16.922 0.111) 17.559 14.225 ( 13.052 18.283 0.086) 22.464 14.562 ( -4.754 -5.266 4.105) 8.197 16.204 ( 0.200 1.363 0.078) 1.380 16.471 ( -6.025 2.535 -2.807) 7.114 16.953 ( 0.409 2.307 2.477) 3.409 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.000 -0.000 -0.000) 0.000 1.772 ( 0.000 -0.000 0.000) 0.000 2.400 ( 0.000 -0.000 -0.000) 0.000 2.460 ( 0.000 -0.000 0.000) 0.000 2.607 ( 0.000 -0.000 0.000) 0.000 2.880 ( 0.000 -0.000 0.000) 0.000 3.029 ( -0.000 -0.000 0.000) 0.000 3.139 ( 0.000 -0.000 -0.000) 0.000 3.454 ( 0.000 -0.000 0.000) 0.000 3.717 ( 0.000 -0.000 -0.000) 0.000 3.865 ( 0.000 -0.000 0.000) 0.000 3.958 ( 0.000 -0.000 0.000) 0.000 4.098 ( -0.000 0.000 -0.000) 0.000 4.119 ( 0.000 -0.000 0.000) 0.000 4.249 ( 0.000 -0.000 0.000) 0.000 4.515 ( 0.000 -0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 -0.000 -0.000) 0.000 4.795 ( 0.000 -0.000 0.000) 0.000 4.913 ( 0.000 -0.000 -0.000) 0.000 5.057 ( 0.000 -0.000 -0.000) 0.000 5.104 ( 0.000 -0.000 -0.000) 0.000 5.391 ( 0.000 -0.000 0.000) 0.000 5.670 ( 0.000 -0.000 0.000) 0.000 5.757 ( -0.000 -0.000 0.000) 0.000 5.761 ( 0.000 0.000 -0.000) 0.000 6.218 ( 0.000 -0.000 0.000) 0.000 6.241 ( 0.000 -0.000 -0.000) 0.000 6.500 ( 0.000 -0.000 -0.000) 0.000 6.594 ( 0.000 -0.000 -0.000) 0.000 6.732 ( -0.000 -0.000 0.000) 0.000 6.841 ( 0.000 -0.000 -0.000) 0.000 7.005 ( 0.000 -0.000 0.000) 0.000 7.178 ( 0.000 -0.000 0.000) 0.000 7.666 ( 0.000 -0.000 -0.000) 0.000 7.856 ( 0.000 -0.000 0.000) 0.000 8.183 ( 0.000 -0.000 -0.000) 0.000 8.349 ( 0.000 -0.000 0.000) 0.000 8.623 ( 0.000 -0.000 0.000) 0.000 8.676 ( 0.000 -0.000 -0.000) 0.000 9.090 ( 0.000 -0.000 0.000) 0.000 9.148 ( 0.000 -0.000 -0.000) 0.000 9.169 ( 0.000 -0.000 0.000) 0.000 9.276 ( 0.000 0.000 -0.000) 0.000 9.537 ( 0.000 -0.000 0.000) 0.000 9.734 ( 0.000 -0.000 -0.000) 0.000 10.169 ( 0.000 -0.000 0.000) 0.000 11.838 ( 0.000 -0.000 0.000) 0.000 12.151 ( 0.000 -0.000 0.000) 0.000 12.660 ( 0.000 -0.000 0.000) 0.000 12.948 ( 0.000 -0.000 0.000) 0.000 13.466 ( 0.000 -0.000 -0.000) 0.000 13.666 ( 0.000 -0.000 -0.000) 0.000 13.814 ( 0.000 -0.000 -0.000) 0.000 13.999 ( -0.000 -0.000 -0.000) 0.000 14.042 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 -0.000 -0.000) 0.000 16.192 ( 0.000 -0.000 -0.000) 0.000 16.416 ( 0.000 -0.000 0.000) 0.000 16.935 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 19.923 -0.000 11.726) 23.118 0.478 ( 26.783 -0.000 5.199) 27.283 0.843 ( 46.182 -0.000 14.798) 48.495 1.498 ( 1.743 -0.000 -0.188) 1.753 1.993 ( -2.840 0.000 -1.023) 3.019 2.145 ( 1.705 -0.000 -2.557) 3.074 2.744 ( -4.007 0.000 -1.502) 4.279 2.778 ( -1.870 0.000 -5.267) 5.589 2.882 ( -2.435 0.000 2.020) 3.164 3.058 ( -1.167 0.000 -1.951) 2.273 3.277 ( -5.230 0.000 11.298) 12.449 3.427 ( 3.941 -0.000 -9.283) 10.085 3.525 ( 0.998 -0.000 6.809) 6.882 4.069 ( -7.531 0.000 -5.344) 9.235 4.431 ( -1.210 0.000 2.471) 2.751 4.483 ( -2.142 0.000 0.655) 2.240 4.651 ( 2.785 -0.000 -1.446) 3.138 4.817 ( -3.693 0.000 -11.256) 11.846 4.979 ( -0.447 0.000 3.490) 3.518 5.073 ( 4.992 -0.000 -7.726) 9.199 5.156 ( -1.678 0.000 0.032) 1.678 5.202 ( 0.962 -0.000 -4.064) 4.177 5.315 ( 4.435 -0.000 -0.933) 4.532 5.552 ( -5.285 0.000 -9.709) 11.054 5.743 ( 1.660 -0.000 1.549) 2.270 5.757 ( 4.755 -0.000 13.054) 13.894 6.167 ( -5.042 0.000 -4.018) 6.448 6.188 ( -3.300 0.000 -4.598) 5.660 6.454 ( -2.203 0.000 11.901) 12.103 6.650 ( 0.006 -0.000 -0.164) 0.165 6.967 ( -3.588 0.000 -24.439) 24.701 7.455 ( 0.171 -0.000 -9.477) 9.479 7.466 ( -5.948 0.000 1.793) 6.212 7.484 ( -5.722 0.000 2.664) 6.311 7.702 ( 6.377 -0.000 0.732) 6.419 7.707 ( -0.897 0.000 31.713) 31.726 7.911 ( 2.766 -0.000 0.726) 2.859 8.160 ( -2.912 0.000 -2.079) 3.578 8.169 ( -3.539 0.000 -0.154) 3.542 8.356 ( 2.366 -0.000 1.321) 2.710 8.432 ( 2.798 -0.000 -5.817) 6.455 9.369 ( -1.631 0.000 -13.537) 13.635 9.440 ( -2.024 0.000 1.895) 2.772 9.691 ( 2.351 -0.000 6.822) 7.215 9.919 ( -1.628 0.000 23.807) 23.863 10.334 ( -0.752 0.000 -1.966) 2.104 10.475 ( 1.304 -0.000 1.961) 2.355 10.655 ( 3.740 -0.000 -1.714) 4.114 11.394 ( 1.316 -0.000 2.133) 2.507 12.321 ( -2.676 0.000 -0.151) 2.681 12.804 ( -4.785 0.000 -0.710) 4.838 13.085 ( -4.548 0.000 13.077) 13.846 13.548 ( -6.081 0.000 -1.136) 6.187 13.813 ( 3.035 -0.000 -22.355) 22.560 13.942 ( 13.780 -0.000 1.249) 13.836 14.285 ( 13.890 -0.000 -5.804) 15.054 15.294 ( -5.033 0.000 3.024) 5.872 16.330 ( 0.280 -0.000 0.321) 0.425 16.678 ( 3.103 -0.000 -20.965) 21.193 17.405 ( -4.840 0.000 35.817) 36.143 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 22.701 -8.997 1.783) 24.484 0.852 ( 14.605 -19.091 6.630) 24.934 1.436 ( 31.763 -20.070 14.834) 40.395 1.695 ( 2.142 -20.974 -1.769) 21.157 2.226 ( -3.232 -20.885 2.047) 21.233 2.299 ( -2.318 -15.830 -5.593) 16.948 2.668 ( -2.588 2.349 -3.365) 4.852 2.730 ( -1.986 1.443 -7.195) 7.602 2.961 ( -2.770 -8.728 1.560) 9.289 3.063 ( -1.071 -2.170 -0.631) 2.501 3.326 ( -3.992 -6.757 11.126) 13.615 3.496 ( 1.693 -3.163 -0.530) 3.627 3.578 ( 1.944 -6.619 3.383) 7.684 3.995 ( -8.120 -0.974 -8.183) 11.569 4.373 ( -3.920 2.451 1.530) 4.870 4.479 ( -5.088 -0.927 -0.887) 5.248 4.637 ( 2.393 3.844 -1.802) 4.874 4.762 ( 0.134 2.282 -2.291) 3.237 4.926 ( -0.016 3.814 2.598) 4.615 5.016 ( 0.421 6.561 -2.943) 7.203 5.148 ( -2.732 -0.831 -0.481) 2.896 5.233 ( 5.487 2.690 -2.716) 6.687 5.365 ( 1.557 -4.061 -6.956) 8.204 5.512 ( -4.995 -2.120 -3.374) 6.390 5.746 ( 5.275 0.380 8.842) 10.303 5.897 ( 0.896 -5.550 6.324) 8.461 6.073 ( -4.778 2.375 -5.322) 7.536 6.182 ( -2.962 -2.117 -4.340) 5.664 6.339 ( 7.687 14.090 2.301) 16.215 6.505 ( -0.289 -0.274 0.232) 0.461 7.012 ( -9.229 -2.896 -3.992) 10.464 7.335 ( 1.615 8.973 -20.421) 22.364 7.426 ( -5.581 3.752 16.890) 18.180 7.473 ( -2.601 3.206 1.723) 4.474 7.560 ( -1.961 -1.768 5.868) 6.434 7.833 ( 5.453 -5.434 -2.138) 7.990 8.074 ( -3.176 -3.510 3.052) 5.633 8.151 ( -0.827 -2.924 0.025) 3.039 8.230 ( -4.084 -9.562 1.471) 10.502 8.414 ( 3.748 0.541 -1.552) 4.093 8.453 ( 0.485 -4.615 -1.478) 4.870 9.208 ( 6.001 11.375 0.766) 12.884 9.402 ( -2.374 1.467 -2.005) 3.436 9.672 ( 3.139 4.647 4.326) 7.082 9.825 ( 4.262 6.617 7.844) 11.113 10.286 ( -1.611 3.134 -3.216) 4.771 10.420 ( 1.471 5.737 2.201) 6.318 10.829 ( 1.375 -10.498 -1.758) 10.732 11.495 ( 0.949 -8.847 3.954) 9.737 12.358 ( -4.524 -5.771 -1.127) 7.419 12.821 ( -7.145 -6.026 -1.113) 9.413 12.963 ( 0.635 4.930 1.685) 5.248 13.735 ( -3.724 -11.059 4.740) 12.595 13.792 ( 0.620 -1.209 -13.657) 13.725 14.095 ( 8.893 0.606 2.557) 9.273 14.491 ( 11.124 -7.155 -6.808) 14.876 15.173 ( -7.000 7.865 5.173) 11.731 16.319 ( 0.519 1.593 0.720) 1.824 16.662 ( -1.106 1.782 -11.900) 12.083 17.272 ( 1.012 10.512 17.933) 20.812 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 16.604 -12.434 0.517) 20.750 1.251 ( 12.444 -12.232 5.832) 18.398 1.910 ( 11.941 -14.375 5.529) 19.489 2.269 ( 2.153 -22.394 1.686) 22.561 2.499 ( -0.047 -19.311 1.230) 19.350 2.596 ( 0.519 1.231 0.969) 1.650 2.681 ( -1.923 -16.438 -1.419) 16.611 2.833 ( 3.148 -19.197 -8.076) 21.063 3.042 ( -1.135 -1.798 -0.801) 2.272 3.171 ( -0.270 -9.244 -1.717) 9.406 3.423 ( -1.008 -5.065 14.688) 15.570 3.598 ( -1.008 -8.433 6.611) 10.763 3.775 ( 1.506 -11.037 -3.509) 11.679 3.967 ( -5.924 -3.822 -12.528) 14.376 4.291 ( -6.909 1.569 1.189) 7.184 4.419 ( -7.846 0.906 -0.914) 7.951 4.564 ( 0.298 4.213 -1.427) 4.458 4.714 ( -0.432 2.761 0.095) 2.796 4.864 ( -2.072 5.712 1.206) 6.195 4.911 ( 2.544 1.380 -2.474) 3.807 5.123 ( -3.284 0.669 -0.549) 3.396 5.197 ( 4.255 4.648 -4.389) 7.679 5.466 ( 2.702 -5.392 -1.549) 6.227 5.518 ( -4.203 -1.846 0.640) 4.635 5.806 ( 3.182 -1.141 5.520) 6.473 5.887 ( -4.948 2.476 1.862) 5.838 6.094 ( 2.817 -3.283 -0.587) 4.366 6.208 ( 0.338 1.335 1.474) 2.017 6.209 ( 4.542 2.000 -7.034) 8.608 6.552 ( -0.995 -4.933 1.329) 5.204 6.962 ( -5.385 -0.180 -1.285) 5.539 7.142 ( 1.618 10.959 -15.745) 19.252 7.237 ( -3.085 11.980 9.426) 15.553 7.380 ( -5.628 3.155 4.914) 8.111 7.666 ( -3.213 -7.670 -0.197) 8.318 7.981 ( 3.018 -4.154 0.113) 5.136 8.066 ( -2.584 -3.832 1.646) 4.906 8.188 ( 0.091 1.935 -0.013) 1.937 8.373 ( -3.199 -8.633 0.164) 9.208 8.436 ( 4.212 -1.981 0.967) 4.754 8.596 ( 1.391 -8.977 -1.199) 9.162 9.111 ( 5.213 5.261 5.573) 9.269 9.343 ( -2.431 2.265 -3.988) 5.191 9.594 ( 2.500 6.911 0.474) 7.364 9.753 ( 2.978 6.013 4.675) 8.178 10.173 ( -1.764 7.397 -2.713) 8.074 10.328 ( 0.644 5.181 1.980) 5.583 11.067 ( 3.367 -13.890 -2.218) 14.463 11.711 ( -0.368 -13.352 5.745) 14.540 12.448 ( -4.607 -8.695 -1.884) 10.019 12.814 ( -3.358 1.675 -1.122) 3.917 12.994 ( -5.042 -9.736 -0.241) 10.966 13.709 ( 5.556 6.547 -8.591) 12.146 13.944 ( -4.580 -7.160 1.318) 8.601 14.153 ( 12.150 -0.356 -0.657) 12.173 14.631 ( 13.210 3.430 -4.879) 14.494 14.920 ( -6.295 13.219 9.699) 17.563 16.285 ( 0.606 2.650 0.830) 2.843 16.567 ( -5.577 3.988 -7.055) 9.838 17.125 ( 0.205 7.704 8.467) 11.449 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 7.917 -9.430 3.020) 12.677 1.564 ( 13.178 -9.633 2.632) 16.534 2.233 ( 3.596 -11.567 0.747) 12.136 2.393 ( -1.227 -3.390 3.117) 4.766 2.541 ( 2.581 2.758 -0.805) 3.862 2.857 ( -1.161 -6.360 -2.425) 6.905 2.971 ( -4.656 -15.388 3.965) 16.559 3.059 ( 3.016 -1.332 -2.451) 4.108 3.323 ( 1.980 -16.459 -0.593) 16.588 3.342 ( 3.065 -20.080 -3.001) 20.533 3.584 ( 3.310 -10.049 10.614) 14.987 3.764 ( -0.565 -8.418 7.588) 11.347 3.924 ( 2.211 -2.660 -0.978) 3.595 3.985 ( -4.226 -5.449 -13.170) 14.866 4.204 ( -8.104 0.847 -0.580) 8.169 4.343 ( -8.088 -1.476 -0.415) 8.232 4.540 ( 0.042 -2.389 -0.123) 2.393 4.674 ( -1.418 0.564 -0.156) 1.534 4.757 ( -2.377 2.020 -2.731) 4.146 4.957 ( 2.185 -2.830 1.375) 3.831 5.064 ( -2.608 2.632 -4.411) 5.761 5.148 ( 1.650 3.141 -3.135) 4.735 5.477 ( -3.191 2.222 3.559) 5.272 5.594 ( 2.200 -4.649 2.480) 5.710 5.775 ( -3.308 3.031 2.996) 5.395 5.886 ( 3.946 -0.842 0.206) 4.040 6.125 ( 3.262 0.796 -6.853) 7.632 6.198 ( -0.087 -1.125 3.549) 3.724 6.294 ( 1.529 -6.252 -1.596) 6.632 6.654 ( -0.294 -5.742 0.065) 5.750 6.904 ( 1.028 7.257 -3.010) 7.923 6.983 ( 1.036 3.493 -7.846) 8.650 7.001 ( -5.075 9.536 3.870) 11.475 7.270 ( -5.034 4.138 4.755) 8.067 7.722 ( -2.030 -0.658 -2.224) 3.082 8.024 ( -2.829 -3.957 5.320) 7.208 8.087 ( -0.273 7.706 0.391) 7.720 8.213 ( 2.304 -8.220 -1.113) 8.609 8.485 ( -2.838 -7.129 -3.031) 8.250 8.542 ( 3.657 -4.188 3.257) 6.444 8.790 ( 2.752 -10.263 -0.085) 10.626 9.107 ( 2.957 0.302 6.603) 7.241 9.276 ( -1.624 2.496 -5.073) 5.882 9.470 ( 1.146 8.085 -1.845) 8.371 9.666 ( 1.687 6.105 3.349) 7.165 9.996 ( -1.279 9.917 -1.601) 10.127 10.247 ( -0.548 3.983 1.245) 4.209 11.378 ( 4.566 -16.423 -2.518) 17.230 11.955 ( -2.162 -12.902 7.195) 14.930 12.591 ( -4.218 -11.462 -2.655) 12.498 12.747 ( -0.562 3.322 -0.612) 3.425 13.166 ( -10.263 -15.749 -0.687) 18.810 13.631 ( 5.164 5.265 -9.123) 11.731 13.907 ( 6.216 9.819 3.123) 12.033 14.295 ( -2.188 -3.531 -11.162) 11.909 14.523 ( 1.781 10.960 8.418) 13.934 14.730 ( 17.509 13.461 7.540) 23.337 16.238 ( -0.445 2.700 0.279) 2.751 16.431 ( -8.890 2.387 -3.702) 9.921 17.017 ( -0.704 4.700 3.266) 5.767 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 6.109 -3.861 4.206) 8.362 1.779 ( 7.123 -2.849 0.501) 7.687 2.349 ( -3.446 -4.775 -2.243) 6.301 2.441 ( -0.507 0.145 4.923) 4.951 2.601 ( 5.015 -3.649 -0.963) 6.276 2.863 ( -3.091 0.954 -3.448) 4.728 3.066 ( -4.591 -0.030 1.927) 4.979 3.102 ( 5.549 -2.772 -2.593) 6.723 3.456 ( -1.293 -1.197 3.627) 4.033 3.649 ( 0.336 -7.511 -5.223) 9.155 3.818 ( -0.672 -6.646 11.050) 12.912 3.897 ( -1.591 -5.922 -8.813) 10.736 4.016 ( -0.672 -6.321 3.428) 7.222 4.092 ( 6.291 -7.915 -1.587) 10.235 4.172 ( -0.835 -4.558 2.359) 5.199 4.354 ( -4.474 -6.342 0.407) 7.772 4.624 ( -0.174 -5.315 -0.382) 5.331 4.657 ( -1.907 -0.205 -2.075) 2.826 4.754 ( -1.150 -2.081 1.121) 2.628 4.972 ( -0.782 4.863 -5.141) 7.120 5.025 ( -0.998 -2.578 -2.309) 3.602 5.103 ( -0.432 1.499 -1.649) 2.270 5.399 ( -4.080 2.304 0.709) 4.739 5.656 ( -5.709 -1.392 5.554) 8.086 5.713 ( 3.303 2.106 4.157) 5.713 5.909 ( 8.187 4.007 -3.828) 9.887 6.172 ( -0.047 -4.692 -4.829) 6.733 6.210 ( -1.453 -0.568 2.098) 2.615 6.447 ( 2.528 -7.523 1.634) 8.103 6.667 ( 0.342 4.272 -6.390) 7.694 6.767 ( -4.069 7.623 10.130) 13.315 6.854 ( 2.991 1.060 -5.506) 6.355 6.995 ( 0.860 -1.530 -4.909) 5.214 7.178 ( -3.241 1.721 4.171) 5.556 7.685 ( -0.398 1.793 -1.561) 2.410 7.933 ( -0.713 7.657 0.632) 7.716 8.094 ( -4.932 -5.383 4.345) 8.496 8.349 ( 3.908 -3.720 -1.903) 5.721 8.582 ( -2.286 -5.875 -1.209) 6.419 8.627 ( 1.067 -2.194 1.832) 3.051 8.998 ( 3.205 -8.976 -0.007) 9.531 9.143 ( 0.933 -0.913 4.733) 4.910 9.218 ( -0.066 2.705 -3.078) 4.098 9.334 ( 0.107 6.312 -2.233) 6.696 9.579 ( 0.373 4.347 1.416) 4.587 9.812 ( -0.863 8.108 -0.861) 8.200 10.184 ( -0.688 2.147 0.675) 2.354 11.706 ( 4.998 -14.154 -3.084) 15.325 12.109 ( -3.663 -5.001 7.113) 9.435 12.688 ( -0.333 2.261 -0.852) 2.439 12.780 ( -2.313 -11.755 -2.015) 12.149 13.362 ( -13.791 -16.206 -1.006) 21.303 13.623 ( 5.043 -1.732 -8.851) 10.333 13.753 ( 5.250 11.792 4.452) 13.654 14.059 ( -5.608 15.064 -4.949) 16.819 14.475 ( -0.938 6.695 7.655) 10.213 14.681 ( 24.428 10.800 1.987) 26.783 16.189 ( -2.608 0.650 -0.651) 2.765 16.359 ( -5.958 -2.338 -0.539) 6.423 16.949 ( -1.048 2.170 0.398) 2.443 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.782 4.720 3.092) 5.697 1.786 ( 5.048 5.807 0.754) 7.731 2.381 ( -2.483 0.404 -6.767) 7.220 2.438 ( -1.663 -0.716 3.443) 3.890 2.581 ( -4.492 3.892 0.056) 5.944 2.840 ( -3.694 -1.503 -2.377) 4.643 3.031 ( 3.359 1.473 5.194) 6.359 3.202 ( 5.074 -2.970 -7.160) 9.265 3.472 ( 1.337 -2.401 5.891) 6.501 3.706 ( -1.017 0.362 -5.091) 5.204 3.847 ( -2.032 1.188 7.853) 8.198 3.876 ( -5.638 1.249 -14.572) 15.674 4.098 ( 2.851 -1.026 9.117) 9.607 4.225 ( 0.546 3.258 2.388) 4.076 4.287 ( 8.641 -4.701 2.470) 10.142 4.518 ( 0.559 -5.000 0.824) 5.098 4.613 ( 0.593 -0.009 -1.350) 1.475 4.691 ( 1.638 -0.016 -0.371) 1.679 4.764 ( -3.894 -1.027 1.898) 4.452 4.895 ( -1.265 -0.385 -3.963) 4.177 5.014 ( -4.365 0.843 -0.519) 4.475 5.110 ( 1.024 -2.112 -1.262) 2.665 5.354 ( -3.930 -0.932 -3.821) 5.560 5.586 ( -6.349 1.272 5.202) 8.306 5.737 ( 1.543 0.869 4.368) 4.714 5.901 ( 8.315 3.127 -3.541) 9.564 6.194 ( -2.539 0.277 -1.030) 2.754 6.241 ( 0.297 -1.736 -1.081) 2.067 6.483 ( -1.585 5.287 -2.526) 6.070 6.612 ( 1.722 2.273 2.203) 3.604 6.730 ( -1.208 -6.943 5.307) 8.822 6.858 ( 2.279 1.034 -3.011) 3.915 7.026 ( 2.715 -0.587 -3.816) 4.720 7.181 ( -0.092 -3.232 2.236) 3.931 7.680 ( 1.689 -0.840 -1.963) 2.723 7.832 ( -2.792 0.724 1.743) 3.370 8.123 ( -5.177 -1.942 2.942) 6.264 8.410 ( 5.619 1.427 -3.586) 6.817 8.612 ( -1.036 1.502 -0.613) 1.925 8.650 ( -3.067 -0.941 1.776) 3.667 9.097 ( 0.810 4.204 -2.253) 4.838 9.141 ( -0.264 2.405 -0.793) 2.546 9.183 ( 0.932 -2.278 2.227) 3.320 9.284 ( 0.686 -1.077 1.040) 1.647 9.533 ( -0.395 0.648 -0.474) 0.895 9.736 ( 0.096 -1.266 0.158) 1.280 10.169 ( 0.066 -0.857 0.019) 0.860 11.856 ( 2.161 4.975 -1.850) 5.731 12.157 ( 0.054 -4.982 3.391) 6.027 12.641 ( -1.921 1.792 -1.134) 2.861 12.938 ( -0.099 -5.281 -1.468) 5.482 13.434 ( -7.218 -1.114 3.644) 8.162 13.646 ( -1.205 2.553 -3.502) 4.498 13.722 ( -4.890 -3.390 -4.013) 7.177 13.892 ( -0.723 -9.683 1.904) 9.895 14.231 ( 6.637 20.678 2.820) 21.899 14.704 ( 10.598 5.298 0.557) 11.862 16.177 ( -1.526 -1.146 -0.489) 1.970 16.416 ( -0.179 -6.532 1.721) 6.758 16.920 ( -1.344 -0.115 -1.558) 2.061 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -5.835 14.552 0.070) 15.679 1.684 ( 6.593 13.260 3.046) 15.119 2.175 ( -11.652 10.806 -7.563) 17.599 2.452 ( -0.531 -2.160 0.680) 2.326 2.577 ( 3.298 -2.110 0.281) 3.925 2.818 ( -4.826 -0.770 0.385) 4.903 3.075 ( 6.095 0.526 6.960) 9.267 3.264 ( 4.017 -0.200 -5.930) 7.165 3.494 ( -0.938 10.006 -1.522) 10.165 3.623 ( -0.093 1.931 -1.869) 2.689 3.750 ( 0.354 5.498 -5.220) 7.590 3.840 ( -6.669 6.180 3.721) 9.824 3.865 ( 0.213 18.822 -3.188) 19.092 4.208 ( 2.021 0.471 8.061) 8.324 4.426 ( 10.472 -0.628 1.064) 10.545 4.509 ( 2.889 -0.974 3.718) 4.809 4.618 ( 1.533 4.703 -3.122) 5.849 4.688 ( -3.652 2.237 3.091) 5.282 4.801 ( 2.429 -4.387 0.578) 5.048 4.895 ( -4.702 0.709 -1.801) 5.085 4.988 ( -1.950 -3.448 1.028) 4.092 5.155 ( 2.013 -0.032 -0.185) 2.022 5.330 ( -6.129 -2.712 -6.501) 9.337 5.569 ( -3.932 -4.159 4.371) 7.202 5.702 ( -0.905 2.750 1.473) 3.248 5.941 ( 7.203 0.260 -0.647) 7.237 6.151 ( -3.692 1.294 -2.636) 4.717 6.217 ( 1.823 5.862 2.244) 6.536 6.335 ( -3.555 5.765 -2.541) 7.234 6.674 ( 1.578 -4.963 0.349) 5.219 6.746 ( -2.610 0.997 1.370) 3.111 6.956 ( 3.522 -5.816 2.928) 7.403 7.064 ( 3.439 -2.351 -1.122) 4.314 7.282 ( 2.587 -6.048 -1.726) 6.801 7.718 ( 1.282 -2.083 -2.713) 3.653 7.887 ( -2.721 -8.203 3.246) 9.232 8.082 ( -3.928 2.264 1.955) 4.937 8.372 ( 4.068 7.064 -4.703) 9.411 8.542 ( -0.799 4.173 -4.244) 6.005 8.602 ( -2.915 2.935 5.751) 7.084 8.948 ( 0.452 10.826 -0.551) 10.849 9.056 ( -2.119 4.341 -2.635) 5.503 9.264 ( 1.316 -4.019 1.619) 4.528 9.359 ( 0.532 -5.343 2.423) 5.890 9.542 ( -0.886 -2.319 -2.120) 3.264 9.846 ( 0.527 -9.038 0.909) 9.099 10.210 ( 0.690 -2.879 -0.389) 2.986 11.636 ( -0.004 16.540 0.327) 16.544 12.184 ( 1.893 6.892 -2.296) 7.507 12.637 ( -2.267 -5.029 0.621) 5.551 12.914 ( 3.063 8.801 0.630) 9.340 13.420 ( -4.904 -3.159 5.624) 8.103 13.570 ( 1.923 2.685 -5.281) 6.229 13.750 ( -9.413 -1.075 -0.133) 9.475 13.929 ( -2.558 5.802 1.875) 6.612 14.251 ( 2.592 -21.026 0.393) 21.189 14.662 ( 6.272 6.899 -1.435) 9.434 16.195 ( -0.542 -1.783 -0.166) 1.871 16.570 ( 4.471 -7.191 3.724) 9.251 16.924 ( -1.888 -2.073 -3.586) 4.552 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -5.757 19.767 0.202) 20.589 1.389 ( 0.111 21.998 0.148) 21.999 1.883 ( -5.870 12.315 -3.931) 14.197 2.508 ( -0.221 -4.307 -0.098) 4.314 2.653 ( 6.755 -0.317 0.996) 6.835 2.777 ( -4.987 1.808 1.680) 5.564 3.006 ( 1.360 26.776 0.000) 26.811 3.151 ( 1.606 10.505 1.986) 10.811 3.239 ( 1.189 24.695 -0.824) 24.738 3.319 ( -1.755 1.944 -2.159) 3.394 3.504 ( -0.359 12.538 -3.076) 12.915 3.759 ( 3.665 0.885 -7.757) 8.624 3.822 ( -4.619 2.064 6.487) 8.226 4.194 ( 2.209 3.108 5.623) 6.793 4.437 ( 2.351 7.134 -3.384) 8.238 4.563 ( 3.170 -0.121 -0.289) 3.185 4.576 ( 1.888 -0.160 3.830) 4.273 4.648 ( -1.309 -2.430 0.424) 2.793 4.826 ( -1.651 -1.219 0.364) 2.084 4.858 ( -0.102 2.657 0.687) 2.746 5.054 ( -1.491 -4.800 0.346) 5.038 5.159 ( 0.621 -0.639 -0.058) 0.893 5.370 ( -2.016 -5.413 -2.649) 6.355 5.621 ( 0.928 1.495 2.550) 3.099 5.660 ( -4.182 -2.754 -1.146) 5.137 5.992 ( 3.697 0.198 1.053) 3.849 6.068 ( -2.055 4.762 -8.037) 9.565 6.104 ( -0.625 4.190 7.036) 8.213 6.243 ( -1.456 2.355 -1.298) 3.058 6.637 ( -0.286 4.695 0.044) 4.704 6.872 ( -0.346 -10.921 0.342) 10.932 7.041 ( 1.190 -2.647 2.473) 3.813 7.197 ( 2.991 -7.327 0.612) 7.938 7.420 ( 2.908 -6.223 -3.281) 7.612 7.766 ( 0.571 -1.753 -0.851) 2.030 7.965 ( -3.743 4.351 3.539) 6.743 8.057 ( -0.032 -7.717 -0.345) 7.725 8.241 ( 1.128 7.621 -2.694) 8.161 8.445 ( 0.175 5.962 -2.523) 6.477 8.538 ( -0.704 2.797 3.287) 4.373 8.749 ( -0.060 10.305 0.073) 10.305 8.943 ( -2.432 5.507 -2.598) 6.557 9.347 ( 0.929 -3.662 1.135) 3.945 9.470 ( 0.063 -5.893 1.933) 6.202 9.591 ( -0.955 -4.040 -2.300) 4.746 10.036 ( 0.353 -10.777 0.738) 10.808 10.269 ( 0.475 -2.794 -0.417) 2.864 11.324 ( 0.093 16.800 0.343) 16.804 11.971 ( 0.321 14.965 -1.950) 15.095 12.739 ( 2.141 9.350 -0.124) 9.593 12.743 ( -0.616 -4.194 1.510) 4.500 13.356 ( 0.583 14.919 0.936) 14.960 13.499 ( -1.258 -3.213 1.995) 3.986 13.779 ( -0.908 -9.695 -2.233) 9.990 13.931 ( -8.935 -5.043 0.173) 10.262 14.568 ( 4.218 3.994 6.799) 8.942 14.680 ( 1.124 -19.793 -6.892) 20.989 16.229 ( -0.189 -2.284 -0.095) 2.293 16.736 ( 5.766 -5.195 5.967) 9.790 16.947 ( -2.943 -3.069 -6.080) 7.419 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 21.929 0.000) 21.929 0.944 ( 0.000 25.345 0.000) 25.345 1.562 ( 0.000 22.471 0.000) 22.471 2.262 ( 0.000 41.850 0.000) 41.850 2.580 ( 0.000 11.660 0.000) 11.660 2.605 ( -0.000 -2.932 -0.000) 2.932 2.756 ( -0.000 -0.193 -0.000) 0.193 2.816 ( 0.000 17.159 0.000) 17.159 3.128 ( 0.000 2.568 0.000) 2.568 3.197 ( 0.000 11.912 0.000) 11.912 3.370 ( 0.000 0.410 0.000) 0.410 3.658 ( 0.000 10.722 0.000) 10.722 3.694 ( 0.000 9.866 0.000) 9.866 4.166 ( 0.000 1.488 0.000) 1.488 4.355 ( 0.000 1.037 0.000) 1.037 4.552 ( 0.000 1.556 0.000) 1.556 4.583 ( -0.000 -0.604 -0.000) 0.604 4.772 ( -0.000 -8.883 -0.000) 8.883 4.792 ( 0.000 2.499 0.000) 2.499 4.884 ( -0.000 -4.285 -0.000) 4.285 5.124 ( -0.000 -3.324 -0.000) 3.324 5.179 ( -0.000 -0.824 -0.000) 0.824 5.441 ( -0.000 -1.150 -0.000) 1.150 5.574 ( 0.000 1.110 0.000) 1.110 5.650 ( 0.000 3.107 0.000) 3.107 5.958 ( 0.000 1.725 0.000) 1.725 5.986 ( 0.000 4.228 0.000) 4.228 6.122 ( -0.000 -4.041 -0.000) 4.041 6.211 ( 0.000 0.427 0.000) 0.427 6.557 ( 0.000 3.848 0.000) 3.848 7.069 ( -0.000 -10.579 -0.000) 10.579 7.112 ( -0.000 -4.581 -0.000) 4.581 7.345 ( -0.000 -7.351 -0.000) 7.351 7.529 ( -0.000 -3.914 -0.000) 3.914 7.754 ( 0.000 3.946 0.000) 3.946 7.823 ( 0.000 8.095 0.000) 8.095 8.165 ( 0.000 0.828 0.000) 0.828 8.198 ( -0.000 -6.434 -0.000) 6.434 8.330 ( 0.000 6.086 0.000) 6.086 8.450 ( 0.000 8.156 0.000) 8.156 8.632 ( 0.000 1.566 0.000) 1.566 8.820 ( 0.000 5.650 0.000) 5.650 9.409 ( -0.000 -2.542 -0.000) 2.542 9.569 ( -0.000 -4.709 -0.000) 4.709 9.659 ( -0.000 -3.961 -0.000) 3.961 10.231 ( -0.000 -10.096 -0.000) 10.096 10.312 ( -0.000 -1.767 -0.000) 1.767 11.054 ( 0.000 12.617 0.000) 12.617 11.696 ( 0.000 14.472 0.000) 14.472 12.567 ( 0.000 8.411 0.000) 8.411 12.836 ( -0.000 -4.412 -0.000) 4.412 13.088 ( 0.000 12.822 0.000) 12.822 13.598 ( -0.000 -6.532 -0.000) 6.532 13.887 ( 0.000 4.968 0.000) 4.968 13.967 ( -0.000 -9.549 -0.000) 9.549 14.552 ( -0.000 -1.430 -0.000) 1.430 15.028 ( -0.000 -16.260 -0.000) 16.260 16.272 ( -0.000 -2.406 -0.000) 2.406 16.856 ( -0.000 -3.366 -0.000) 3.366 16.969 ( -0.000 -2.201 -0.000) 2.201 ======================= Grid point 23 (16/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 16.855 -0.000 12.103) 20.751 0.940 ( 25.342 -0.000 4.301) 25.705 1.519 ( 1.041 -0.000 -2.896) 3.078 1.639 ( 41.983 -0.000 12.970) 43.941 1.974 ( 1.085 -0.000 0.047) 1.086 2.144 ( -0.912 0.000 -4.596) 4.686 2.649 ( -3.618 0.000 -10.994) 11.574 2.751 ( -1.097 0.000 0.069) 1.099 2.835 ( -3.597 0.000 1.830) 4.036 2.994 ( -6.964 0.000 5.320) 8.763 3.266 ( 2.548 -0.000 4.050) 4.785 3.449 ( 0.929 -0.000 -7.733) 7.788 3.568 ( 1.438 -0.000 13.447) 13.524 3.898 ( -10.299 0.000 -6.110) 11.975 4.343 ( -8.226 0.000 -4.209) 9.240 4.429 ( -4.461 0.000 1.176) 4.613 4.700 ( 2.040 -0.000 1.057) 2.297 4.796 ( 2.395 -0.000 -3.410) 4.167 4.976 ( -0.907 0.000 3.741) 3.850 5.087 ( -0.887 0.000 -4.163) 4.257 5.105 ( -3.999 0.000 1.208) 4.177 5.218 ( 1.838 -0.000 -6.420) 6.678 5.410 ( -0.269 0.000 -13.264) 13.267 5.439 ( 0.487 -0.000 4.308) 4.336 5.786 ( 2.490 -0.000 3.057) 3.943 5.870 ( 4.617 -0.000 11.932) 12.794 6.056 ( -5.810 0.000 -5.647) 8.102 6.105 ( -4.206 0.000 -5.778) 7.147 6.433 ( -2.626 0.000 6.198) 6.732 6.647 ( -0.229 0.000 -0.664) 0.703 6.810 ( -9.739 0.000 -9.471) 13.584 7.369 ( -5.701 0.000 2.709) 6.312 7.376 ( -5.437 0.000 -8.610) 10.183 7.437 ( -1.254 0.000 1.993) 2.354 7.752 ( 0.639 -0.000 8.556) 8.580 7.805 ( 5.299 -0.000 -0.670) 5.341 7.977 ( 4.029 -0.000 2.893) 4.960 8.103 ( -2.785 0.000 -2.487) 3.734 8.105 ( -3.513 0.000 0.230) 3.521 8.404 ( 2.720 -0.000 1.118) 2.941 8.468 ( 2.117 -0.000 -0.788) 2.259 9.304 ( -2.560 0.000 -10.527) 10.833 9.397 ( -3.077 0.000 0.939) 3.217 9.755 ( 2.666 -0.000 9.154) 9.534 9.949 ( 0.682 -0.000 9.212) 9.237 10.315 ( -0.672 0.000 -2.369) 2.462 10.511 ( 2.073 -0.000 2.844) 3.519 10.741 ( 6.729 -0.000 -3.272) 7.483 11.426 ( 1.272 -0.000 4.250) 4.436 12.262 ( -3.566 0.000 -1.155) 3.748 12.686 ( -8.362 0.000 -0.088) 8.362 13.032 ( -3.287 0.000 3.761) 4.995 13.489 ( -0.773 0.000 -1.561) 1.742 13.849 ( 5.079 -0.000 -8.904) 10.250 14.180 ( 13.062 -0.000 1.272) 13.124 14.545 ( 16.566 -0.000 -5.716) 17.524 15.181 ( -8.967 0.000 6.331) 10.977 16.340 ( 0.758 -0.000 0.658) 1.003 16.686 ( 1.588 -0.000 -9.023) 9.162 17.399 ( -2.372 0.000 15.202) 15.386 ======================= Grid point 24 (17/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 10.712 -15.891 9.476) 21.379 1.193 ( 21.851 -5.548 2.299) 22.662 1.698 ( 3.422 -16.303 -3.467) 17.015 2.016 ( 20.965 -10.827 7.819) 24.858 2.235 ( 0.225 -12.318 -0.275) 12.323 2.289 ( 9.772 -20.845 1.035) 23.046 2.620 ( -0.582 -2.064 -6.398) 6.748 2.696 ( -0.903 2.678 -1.249) 3.089 2.898 ( -5.328 -7.549 0.128) 9.241 3.022 ( -4.086 -8.488 5.638) 10.978 3.335 ( 3.477 -3.195 4.561) 6.565 3.508 ( 0.319 -5.598 -4.801) 7.382 3.620 ( 2.020 -3.819 9.287) 10.243 3.827 ( -8.764 -3.024 -7.366) 11.841 4.252 ( -8.787 0.796 -5.361) 10.324 4.374 ( -6.898 1.301 1.588) 7.197 4.663 ( 0.114 5.130 0.074) 5.132 4.772 ( 0.816 3.618 -1.733) 4.094 4.935 ( -0.860 3.231 5.196) 6.179 4.991 ( -0.904 5.798 -5.202) 7.842 5.087 ( -4.066 -0.930 0.598) 4.214 5.306 ( 1.531 -2.763 -1.928) 3.700 5.381 ( 0.113 -1.417 -10.780) 10.874 5.424 ( -1.370 -0.093 1.480) 2.019 5.829 ( 1.910 -0.181 4.585) 4.970 5.905 ( -0.873 1.816 3.810) 4.310 6.035 ( 0.764 -4.471 0.805) 4.606 6.115 ( -2.593 -3.960 -4.321) 6.409 6.401 ( 0.884 6.472 -1.644) 6.736 6.482 ( -2.716 2.410 1.024) 3.772 6.853 ( -7.910 -5.854 -2.408) 10.131 7.262 ( -4.083 6.181 -11.459) 13.646 7.351 ( -5.079 -0.654 1.547) 5.349 7.445 ( -1.578 -0.151 3.759) 4.080 7.579 ( 0.998 9.713 5.468) 11.191 7.907 ( 3.939 -5.366 -2.943) 7.279 8.040 ( -1.702 1.079 1.277) 2.386 8.145 ( -1.090 -4.933 -0.931) 5.137 8.180 ( -1.052 -10.206 3.022) 10.696 8.464 ( 2.352 -0.660 -0.312) 2.463 8.481 ( 2.332 -3.248 0.892) 4.097 9.232 ( -0.822 4.115 -3.618) 5.541 9.353 ( -2.666 1.688 -1.696) 3.583 9.742 ( 2.969 4.934 7.700) 9.615 9.899 ( 2.582 6.043 4.279) 7.842 10.262 ( -0.482 4.389 -2.382) 5.017 10.457 ( 2.226 6.533 2.063) 7.203 10.893 ( 6.144 -8.944 -3.348) 11.356 11.515 ( -0.114 -8.042 5.671) 9.841 12.283 ( -3.482 -5.147 -2.212) 6.596 12.672 ( -9.493 -6.077 0.054) 11.272 12.958 ( -0.989 3.742 0.845) 3.962 13.649 ( -2.918 -14.343 -1.357) 14.700 13.852 ( 6.394 3.917 -7.121) 10.341 14.309 ( 12.635 -0.039 1.013) 12.675 14.710 ( 13.975 -3.595 -6.617) 15.875 15.041 ( -9.756 6.882 9.797) 15.444 16.333 ( 0.897 1.596 0.892) 2.036 16.638 ( 0.102 5.409 -6.302) 8.305 17.298 ( -0.880 9.115 9.469) 13.173 ======================= Grid point 25 (18/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 10.596 -9.835 6.520) 15.859 1.513 ( 15.674 -9.664 1.898) 18.511 2.030 ( 3.497 -13.929 -2.060) 14.509 2.326 ( 0.938 -7.366 1.068) 7.501 2.500 ( -1.606 -16.819 0.324) 16.899 2.644 ( -0.316 -4.753 1.729) 5.068 2.706 ( 9.663 -9.727 6.222) 15.056 2.912 ( 7.515 -23.119 -5.220) 24.864 2.973 ( -5.975 -8.920 -1.004) 10.783 3.196 ( 2.826 -8.079 -0.253) 8.563 3.453 ( 0.953 -8.239 10.055) 13.035 3.611 ( 1.619 -5.272 0.958) 5.598 3.785 ( 0.805 -10.980 -2.158) 11.219 3.853 ( -4.052 -6.274 -6.861) 10.142 4.153 ( -7.930 1.616 -3.754) 8.921 4.271 ( -9.246 1.663 2.034) 9.612 4.556 ( -1.548 4.374 -0.326) 4.651 4.701 ( -0.791 3.481 -2.025) 4.105 4.816 ( -2.850 6.386 -0.291) 6.999 4.942 ( 0.510 0.031 1.691) 1.767 5.053 ( -4.456 0.547 -1.965) 4.901 5.255 ( 3.067 5.862 -3.496) 7.483 5.428 ( -4.821 -2.552 -3.350) 6.401 5.509 ( 1.268 -7.508 2.594) 8.044 5.809 ( -0.509 1.722 0.691) 1.924 5.884 ( 1.229 0.423 5.143) 5.305 6.139 ( 0.573 -4.013 2.602) 4.817 6.178 ( -0.221 -3.686 -1.386) 3.944 6.270 ( 2.665 5.540 -7.343) 9.577 6.528 ( -2.073 -6.403 1.536) 6.904 6.877 ( -4.038 -3.520 -1.311) 5.514 7.085 ( -2.494 8.091 -10.307) 13.339 7.260 ( 1.737 12.847 2.575) 13.217 7.301 ( -4.394 4.662 4.170) 7.644 7.604 ( -3.904 -7.154 1.034) 8.215 7.995 ( -0.759 1.121 2.897) 3.198 8.067 ( 2.001 -8.099 -2.486) 8.705 8.190 ( 0.067 1.532 0.717) 1.692 8.317 ( -3.073 -7.604 -0.505) 8.217 8.505 ( 2.932 -3.040 1.582) 4.510 8.633 ( 2.885 -9.370 0.540) 9.819 9.163 ( 0.432 2.783 2.778) 3.956 9.293 ( -2.150 2.095 -4.684) 5.563 9.648 ( 2.787 8.731 3.429) 9.786 9.806 ( 2.107 6.773 2.404) 7.489 10.146 ( -0.856 7.640 -1.653) 7.863 10.348 ( 1.137 6.790 1.453) 7.036 11.148 ( 6.534 -13.400 -3.442) 15.300 11.705 ( -2.238 -12.513 6.981) 14.502 12.377 ( -2.464 -8.369 -3.138) 9.271 12.713 ( -8.121 -5.893 0.087) 10.034 12.918 ( -3.005 -1.749 0.100) 3.478 13.777 ( 4.270 4.833 -7.141) 9.623 13.902 ( 0.194 -10.228 -1.505) 10.340 14.354 ( 10.803 6.392 -2.181) 12.741 14.739 ( -4.374 11.455 0.852) 12.291 14.962 ( 11.724 -3.461 7.981) 14.599 16.299 ( 0.692 3.197 1.127) 3.460 16.472 ( -4.228 9.815 -4.268) 11.508 17.130 ( -1.014 8.313 4.368) 9.445 ======================= Grid point 26 (19/172) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 10.435 -6.426 6.667) 13.951 1.777 ( 10.237 -6.117 0.190) 11.927 2.218 ( -0.850 -6.762 -0.746) 6.856 2.415 ( -1.172 -3.226 3.021) 4.572 2.591 ( 2.016 -1.359 -2.723) 3.650 2.830 ( -6.201 -3.352 0.782) 7.092 2.900 ( 1.940 -10.802 2.467) 11.248 3.092 ( 0.501 -7.158 -3.522) 7.993 3.345 ( 2.116 -10.175 3.071) 10.837 3.429 ( 5.540 -17.657 -2.432) 18.665 3.672 ( -0.755 -12.159 10.846) 16.311 3.720 ( 0.917 -4.961 -11.726) 12.765 3.917 ( -0.365 -6.753 -2.494) 7.208 3.993 ( 3.789 -6.490 4.651) 8.838 4.095 ( -4.380 -4.007 0.476) 5.955 4.209 ( -7.163 -3.546 0.057) 7.993 4.511 ( -3.293 -2.191 0.147) 3.958 4.649 ( 0.083 0.840 -4.055) 4.142 4.728 ( -1.528 1.017 2.333) 2.968 4.961 ( -2.251 -2.087 -2.575) 4.007 5.000 ( -2.780 0.935 -1.787) 3.434 5.177 ( 2.366 5.133 -2.814) 6.314 5.388 ( -6.098 1.266 -2.653) 6.770 5.604 ( -2.032 -2.014 6.355) 6.969 5.793 ( 3.467 2.113 5.505) 6.840 5.945 ( 2.965 -4.892 -2.313) 6.170 6.159 ( -0.505 1.956 -2.975) 3.596 6.186 ( 1.063 0.106 1.272) 1.662 6.317 ( 1.364 -7.103 -2.439) 7.633 6.627 ( -2.504 -4.900 -0.956) 5.585 6.911 ( 0.737 0.421 -2.963) 3.082 6.940 ( -0.926 3.127 -3.076) 4.484 7.021 ( 2.209 12.991 0.889) 13.207 7.201 ( -3.914 3.459 3.367) 6.215 7.670 ( -3.255 -2.991 -1.830) 4.784 7.990 ( -1.806 -1.847 4.913) 5.550 8.080 ( -0.678 7.943 1.924) 8.201 8.252 ( 2.338 -8.649 -3.492) 9.615 8.430 ( -2.755 -7.508 -0.715) 8.030 8.595 ( 1.701 -3.474 1.245) 4.063 8.849 ( 3.623 -10.527 1.000) 11.178 9.148 ( 0.528 0.103 6.004) 6.028 9.239 ( -1.206 1.305 -6.517) 6.755 9.493 ( 1.481 10.059 -0.017) 10.168 9.695 ( 1.003 7.049 1.749) 7.332 9.974 ( -0.855 9.814 -0.773) 9.882 10.245 ( -0.073 5.007 0.880) 5.085 11.472 ( 6.731 -15.821 -3.641) 17.575 11.917 ( -4.328 -12.060 7.746) 14.973 12.536 ( -0.778 -10.869 -3.980) 11.601 12.725 ( -2.441 -0.636 0.604) 2.593 12.982 ( -9.661 -10.852 0.169) 14.530 13.698 ( 4.929 5.920 -7.132) 10.498 14.006 ( 2.804 3.009 2.486) 4.806 14.251 ( 1.356 11.182 -12.264) 16.652 14.500 ( -4.143 6.390 12.756) 14.856 15.142 ( 24.472 5.051 3.902) 25.291 16.177 ( -8.826 6.735 -1.060) 11.153 16.303 ( -3.318 1.802 -0.979) 3.900 17.003 ( -1.179 4.922 1.037) 5.167 ======================= Grid point 27 (20/172) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 4.922 0.937 4.119) 6.487 1.908 ( 9.328 -0.469 1.696) 9.493 2.313 ( -0.550 -4.418 -0.850) 4.532 2.432 ( -2.633 -0.957 2.772) 3.941 2.574 ( -6.186 3.638 -4.285) 8.358 2.800 ( -3.194 -1.250 -2.348) 4.157 3.059 ( 3.758 -3.362 4.682) 6.880 3.173 ( 2.544 -2.986 -6.766) 7.821 3.467 ( 1.091 -0.806 7.941) 8.056 3.631 ( -0.813 -5.810 -3.023) 6.600 3.771 ( -6.610 -5.349 -12.561) 15.168 3.846 ( 1.033 -3.465 5.138) 6.283 4.063 ( 2.523 -4.679 7.563) 9.244 4.171 ( 2.108 -10.620 0.603) 10.844 4.248 ( 7.688 -7.709 3.116) 11.324 4.291 ( -2.572 -11.615 0.070) 11.897 4.578 ( -4.557 -8.022 -0.739) 9.256 4.654 ( 1.557 -0.043 -3.591) 3.914 4.727 ( -2.339 -0.644 3.808) 4.515 4.934 ( -1.387 1.991 -10.068) 10.356 4.978 ( -3.554 0.225 2.758) 4.504 5.108 ( 1.174 2.851 -0.929) 3.220 5.306 ( -5.353 0.542 -2.262) 5.837 5.587 ( -2.808 1.581 3.983) 5.123 5.797 ( 3.767 2.089 6.208) 7.556 6.017 ( 4.917 1.731 -4.870) 7.134 6.164 ( 0.182 -3.246 -3.423) 4.720 6.179 ( -2.203 -0.259 2.605) 3.421 6.488 ( 1.728 -8.045 1.001) 8.289 6.622 ( -2.723 0.583 -4.219) 5.055 6.772 ( 1.122 11.619 5.975) 13.114 6.884 ( 1.393 0.832 -2.686) 3.138 7.018 ( 2.921 -3.352 -6.234) 7.657 7.134 ( -3.160 0.296 4.808) 5.761 7.673 ( -0.577 -0.660 -1.724) 1.934 7.913 ( -1.487 8.606 1.428) 8.850 8.031 ( -2.816 -3.562 3.146) 5.525 8.410 ( 3.450 -5.833 -3.174) 7.484 8.534 ( -2.899 -6.288 1.723) 7.135 8.638 ( 0.032 0.087 -0.039) 0.101 9.052 ( 2.689 -8.008 -0.101) 8.448 9.161 ( 0.471 0.438 3.270) 3.332 9.213 ( -0.194 0.981 -2.232) 2.446 9.337 ( 0.445 6.677 -0.941) 6.757 9.583 ( -0.041 5.286 0.420) 5.303 9.799 ( -0.473 7.646 -0.260) 7.665 10.177 ( -0.338 2.069 0.401) 2.134 11.804 ( 7.056 -13.288 -5.009) 15.857 12.046 ( -5.826 -5.532 8.210) 11.487 12.665 ( -0.822 0.164 -2.254) 2.405 12.777 ( 1.736 -9.388 -0.973) 9.596 13.119 ( -12.562 -14.123 0.234) 18.903 13.682 ( 4.155 -2.146 -6.590) 8.081 13.859 ( 2.365 13.572 9.987) 17.016 13.970 ( -1.444 15.480 -10.233) 18.612 14.454 ( -2.082 1.773 5.372) 6.028 15.106 ( 21.470 21.261 2.154) 30.293 16.083 ( -8.839 -6.315 -1.092) 10.918 16.292 ( -1.762 -3.141 0.515) 3.638 16.929 ( -1.060 2.384 -0.496) 2.656 ======================= Grid point 28 (21/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.917 10.155 0.378) 10.203 1.971 ( 13.394 6.391 6.257) 16.105 2.233 ( -12.748 8.527 -7.299) 16.985 2.434 ( 0.241 0.427 0.230) 0.542 2.497 ( -2.870 -5.391 0.261) 6.113 2.796 ( -0.913 0.354 -1.058) 1.442 3.132 ( 4.655 -0.527 5.707) 7.384 3.240 ( 0.838 -3.097 -6.536) 7.281 3.519 ( 1.880 -4.367 5.318) 7.133 3.663 ( -1.862 3.229 -4.239) 5.645 3.758 ( -3.702 -2.147 -4.201) 5.997 3.852 ( 0.178 3.203 1.690) 3.625 4.160 ( 1.731 -0.671 4.147) 4.544 4.222 ( -0.246 4.046 0.554) 4.091 4.464 ( 9.247 -5.735 3.873) 11.549 4.540 ( 1.248 -9.556 -0.556) 9.653 4.610 ( -0.104 5.161 -2.705) 5.828 4.675 ( -5.842 -6.501 -0.754) 8.773 4.699 ( -1.172 -0.982 2.065) 2.570 4.875 ( 0.369 2.556 -2.705) 3.740 4.935 ( -3.629 -0.559 0.082) 3.673 5.134 ( 1.641 -3.855 -0.156) 4.192 5.266 ( -3.798 0.666 -2.176) 4.428 5.530 ( -1.472 2.019 1.643) 2.990 5.769 ( 0.780 3.748 2.344) 4.489 6.019 ( 5.591 1.669 -0.573) 5.863 6.134 ( -3.679 1.069 -1.153) 4.001 6.247 ( 0.449 -3.187 -0.404) 3.244 6.448 ( -1.294 8.071 -1.359) 8.286 6.648 ( 1.391 2.540 0.717) 2.983 6.717 ( -0.996 -5.687 2.603) 6.333 6.892 ( 1.530 -2.281 -0.653) 2.823 7.068 ( 2.491 0.005 -3.654) 4.423 7.175 ( -1.106 -6.211 2.264) 6.703 7.713 ( 2.648 -2.670 -2.120) 4.316 7.779 ( -3.441 2.382 1.977) 4.629 8.061 ( -2.149 -1.463 1.427) 2.965 8.496 ( 4.827 1.078 -3.171) 5.876 8.589 ( -4.119 -1.606 3.427) 5.594 8.594 ( -0.594 2.832 -1.305) 3.174 9.101 ( 0.155 3.670 -1.189) 3.861 9.140 ( 0.137 6.984 -0.316) 6.992 9.201 ( 0.510 -4.100 1.041) 4.260 9.298 ( 0.470 -1.587 0.670) 1.785 9.525 ( -0.277 1.061 -0.327) 1.145 9.737 ( 0.056 -2.014 0.094) 2.017 10.170 ( 0.043 -1.415 0.013) 1.416 11.891 ( 1.721 9.394 -1.482) 9.665 12.160 ( -0.474 -10.184 2.654) 10.534 12.606 ( -1.207 3.378 -0.901) 3.699 12.958 ( 2.312 -5.971 -1.318) 6.537 13.263 ( -8.548 -11.446 1.091) 14.327 13.655 ( 0.459 8.263 8.546) 11.897 13.681 ( 0.231 10.285 -11.005) 15.065 13.901 ( 0.551 -15.970 1.054) 16.014 14.286 ( 0.671 17.398 1.125) 17.447 14.880 ( 6.658 13.672 0.458) 15.214 16.149 ( -1.164 -3.470 -0.262) 3.669 16.417 ( -0.136 -10.843 1.089) 10.898 16.895 ( -0.861 0.393 -1.037) 1.404 ======================= Grid point 29 (22/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 16.642 0.000) 16.642 1.793 ( 0.000 20.487 0.000) 20.487 2.015 ( 0.000 6.297 0.000) 6.297 2.449 ( -0.000 -2.027 -0.000) 2.027 2.602 ( -0.000 -5.885 -0.000) 5.885 2.780 ( 0.000 0.635 0.000) 0.635 3.156 ( 0.000 1.009 0.000) 1.009 3.286 ( -0.000 -2.089 -0.000) 2.089 3.466 ( 0.000 15.141 0.000) 15.141 3.642 ( -0.000 -3.627 -0.000) 3.627 3.755 ( 0.000 5.305 0.000) 5.305 3.769 ( 0.000 7.989 0.000) 7.989 3.862 ( 0.000 20.437 0.000) 20.437 4.235 ( -0.000 -0.440 -0.000) 0.440 4.533 ( -0.000 -0.362 -0.000) 0.362 4.565 ( 0.000 2.378 0.000) 2.378 4.630 ( -0.000 -2.143 -0.000) 2.143 4.636 ( 0.000 4.094 0.000) 4.094 4.817 ( 0.000 2.182 0.000) 2.182 4.845 ( -0.000 -6.919 -0.000) 6.919 4.968 ( -0.000 -3.404 -0.000) 3.404 5.187 ( 0.000 3.808 0.000) 3.808 5.246 ( -0.000 -6.271 -0.000) 6.271 5.537 ( -0.000 -3.986 -0.000) 3.986 5.700 ( 0.000 3.869 0.000) 3.869 6.030 ( 0.000 0.903 0.000) 0.903 6.089 ( 0.000 1.339 0.000) 1.339 6.265 ( 0.000 10.317 0.000) 10.317 6.270 ( 0.000 1.051 0.000) 1.051 6.702 ( -0.000 -6.959 -0.000) 6.959 6.714 ( 0.000 3.350 0.000) 3.350 6.990 ( -0.000 -4.655 -0.000) 4.655 7.100 ( -0.000 -3.828 -0.000) 3.828 7.302 ( -0.000 -7.356 -0.000) 7.356 7.727 ( -0.000 -1.148 -0.000) 1.148 7.864 ( -0.000 -8.934 -0.000) 8.934 8.047 ( 0.000 2.039 0.000) 2.039 8.405 ( 0.000 8.930 0.000) 8.930 8.542 ( 0.000 4.109 0.000) 4.109 8.567 ( 0.000 1.232 0.000) 1.232 8.955 ( 0.000 11.508 0.000) 11.508 9.031 ( 0.000 4.589 0.000) 4.589 9.279 ( -0.000 -4.133 -0.000) 4.133 9.368 ( -0.000 -5.164 -0.000) 5.164 9.530 ( -0.000 -1.893 -0.000) 1.893 9.852 ( -0.000 -9.143 -0.000) 9.143 10.216 ( -0.000 -3.095 -0.000) 3.095 11.639 ( 0.000 16.919 0.000) 16.919 12.199 ( 0.000 7.760 0.000) 7.760 12.614 ( -0.000 -6.077 -0.000) 6.077 12.947 ( 0.000 8.298 0.000) 8.298 13.376 ( -0.000 -4.249 -0.000) 4.249 13.607 ( -0.000 -5.074 -0.000) 5.074 13.615 ( 0.000 1.026 0.000) 1.026 13.932 ( 0.000 15.783 0.000) 15.783 14.273 ( -0.000 -22.498 -0.000) 22.498 14.723 ( 0.000 8.099 0.000) 8.099 16.190 ( -0.000 -2.045 -0.000) 2.045 16.620 ( -0.000 -9.975 -0.000) 9.975 16.897 ( -0.000 -1.151 -0.000) 1.151 ======================= Grid point 34 (23/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 11.005 -0.000 11.991) 16.276 1.359 ( 21.994 -0.000 2.886) 22.182 1.550 ( 4.494 -0.000 -4.653) 6.469 2.011 ( 2.114 -0.000 -0.131) 2.118 2.111 ( -0.584 0.000 -4.472) 4.510 2.290 ( 27.310 -0.000 4.613) 27.697 2.614 ( 2.565 -0.000 -2.316) 3.456 2.740 ( -9.164 0.000 0.985) 9.217 2.758 ( 3.660 -0.000 3.123) 4.811 2.880 ( -6.066 0.000 8.166) 10.173 3.343 ( 3.221 -0.000 -3.045) 4.433 3.460 ( 4.252 -0.000 -2.795) 5.088 3.635 ( 3.145 -0.000 6.124) 6.885 3.711 ( -8.931 0.000 -0.885) 8.975 4.165 ( -10.173 0.000 -6.602) 12.128 4.334 ( -6.879 0.000 1.269) 6.995 4.708 ( -1.621 0.000 2.674) 3.127 4.830 ( 1.138 -0.000 -5.041) 5.167 4.963 ( -1.172 0.000 1.604) 1.987 5.036 ( -4.180 0.000 2.101) 4.678 5.052 ( -2.861 0.000 2.635) 3.889 5.228 ( 0.800 -0.000 -5.728) 5.783 5.272 ( -6.756 0.000 -9.433) 11.602 5.541 ( 5.081 -0.000 -1.662) 5.346 5.834 ( 2.073 -0.000 3.714) 4.254 5.931 ( -0.303 0.000 3.998) 4.009 5.964 ( -3.173 0.000 -5.006) 5.927 6.066 ( 1.368 -0.000 1.463) 2.003 6.392 ( -3.288 0.000 3.302) 4.660 6.614 ( -10.399 0.000 -4.488) 11.326 6.640 ( -0.354 0.000 -0.958) 1.022 7.275 ( -3.703 0.000 -8.402) 9.182 7.286 ( -4.539 0.000 2.540) 5.202 7.424 ( -0.580 0.000 0.697) 0.907 7.760 ( -1.089 0.000 2.628) 2.845 7.879 ( 3.740 -0.000 -2.096) 4.288 8.034 ( 0.068 -0.000 2.628) 2.629 8.058 ( -1.960 0.000 0.509) 2.025 8.073 ( 1.226 -0.000 -0.553) 1.345 8.453 ( 2.620 -0.000 0.662) 2.702 8.499 ( 1.396 -0.000 0.847) 1.633 9.242 ( -2.276 0.000 -6.895) 7.261 9.347 ( -2.714 0.000 -0.037) 2.715 9.817 ( 2.199 -0.000 8.837) 9.106 9.975 ( 0.604 -0.000 2.621) 2.690 10.305 ( -0.030 0.000 -1.588) 1.588 10.554 ( 2.081 -0.000 2.479) 3.237 10.865 ( 8.307 -0.000 -4.378) 9.391 11.443 ( -0.915 0.000 5.877) 5.948 12.209 ( -1.623 0.000 -2.731) 3.177 12.533 ( -9.113 0.000 1.224) 9.195 12.995 ( -1.668 0.000 1.463) 2.219 13.496 ( 1.456 -0.000 -1.602) 2.164 13.940 ( 7.091 -0.000 -6.481) 9.606 14.384 ( 10.019 -0.000 1.027) 10.071 14.797 ( 13.654 -0.000 -8.515) 16.092 15.026 ( -10.666 0.000 11.697) 15.830 16.358 ( 1.088 -0.000 0.828) 1.367 16.691 ( 0.799 -0.000 -4.729) 4.796 17.391 ( -1.407 0.000 7.453) 7.585 ======================= Grid point 35 (24/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 7.446 -14.475 9.440) 18.817 1.540 ( 17.320 -2.942 0.619) 17.579 1.781 ( 6.538 -16.291 -2.631) 17.750 2.119 ( -0.915 -9.351 -2.750) 9.790 2.233 ( 1.195 -11.948 -0.114) 12.008 2.558 ( 5.362 -9.596 -3.085) 11.417 2.643 ( 1.328 -2.440 -0.281) 2.792 2.713 ( -2.779 -7.415 4.276) 9.000 2.839 ( 9.592 -1.147 6.548) 11.670 2.980 ( -1.594 -12.129 5.304) 13.333 3.412 ( 2.439 -4.108 -2.669) 5.473 3.511 ( 2.633 -3.017 -2.471) 4.706 3.691 ( 0.899 -5.454 -8.913) 10.488 3.705 ( 0.742 -2.355 12.487) 12.728 4.078 ( -9.081 -0.664 -7.092) 11.542 4.245 ( -8.466 2.770 2.212) 9.178 4.636 ( -3.103 5.419 0.549) 6.268 4.769 ( -0.390 4.404 -3.203) 5.460 4.902 ( -3.088 5.205 -0.313) 6.060 4.973 ( -1.813 3.255 2.728) 4.618 5.014 ( -4.492 -0.167 -0.644) 4.541 5.254 ( -4.197 -4.733 -3.495) 7.227 5.352 ( 0.142 -9.192 -2.844) 9.623 5.468 ( 3.085 7.930 -2.939) 9.002 5.841 ( 0.557 1.740 0.404) 1.871 5.920 ( 0.245 1.142 4.012) 4.178 6.027 ( -0.942 -7.264 -1.100) 7.407 6.118 ( 1.960 -3.115 2.235) 4.306 6.389 ( -0.964 1.862 -4.835) 5.270 6.422 ( -4.254 2.026 2.811) 5.487 6.741 ( -4.489 -6.646 -1.480) 8.155 7.182 ( -2.492 5.651 -6.533) 8.990 7.274 ( -3.759 -0.855 0.107) 3.857 7.434 ( -0.310 -1.183 1.343) 1.816 7.591 ( -0.724 11.693 2.692) 12.020 7.959 ( 2.827 -5.094 -3.052) 6.577 8.022 ( -0.633 1.377 0.554) 1.613 8.113 ( -1.673 -6.723 -0.177) 6.930 8.190 ( 0.321 -6.667 2.787) 7.234 8.495 ( 1.318 -0.747 -0.088) 1.518 8.527 ( 2.440 -4.047 1.492) 4.955 9.200 ( -1.524 1.770 -2.941) 3.756 9.308 ( -2.027 1.724 -1.450) 3.030 9.802 ( 2.030 4.724 7.081) 8.751 9.933 ( 0.889 4.812 0.406) 4.910 10.257 ( 0.172 4.878 -1.176) 5.020 10.499 ( 1.973 7.048 1.599) 7.492 11.008 ( 7.708 -7.967 -4.207) 11.857 11.505 ( -2.759 -7.380 6.286) 10.079 12.243 ( -0.007 -4.611 -3.441) 5.753 12.509 ( -9.302 -5.432 1.628) 10.894 12.945 ( -0.625 3.355 0.434) 3.440 13.629 ( 0.265 -11.549 -1.317) 11.627 13.956 ( 6.876 4.121 -5.893) 9.949 14.499 ( 8.787 -1.537 0.348) 8.928 14.851 ( -2.302 5.103 -10.271) 11.698 14.952 ( 2.945 -2.156 14.946) 15.385 16.352 ( 0.927 1.747 0.809) 2.137 16.629 ( 0.040 7.171 -3.308) 7.897 17.296 ( -0.893 8.907 4.542) 10.038 ======================= Grid point 36 (25/172) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 8.922 -12.336 7.177) 16.831 1.750 ( 10.634 -5.397 -0.774) 11.951 2.090 ( 4.075 -9.923 0.699) 10.750 2.277 ( -5.370 -9.989 -3.153) 11.771 2.467 ( -1.898 -11.813 -0.691) 11.984 2.646 ( 0.642 -5.417 3.148) 6.298 2.817 ( -7.939 -12.124 -2.818) 14.764 2.892 ( 9.091 -6.912 4.114) 12.139 3.065 ( 4.786 -16.452 -0.033) 17.134 3.241 ( 1.451 -15.067 2.048) 15.275 3.482 ( 1.620 -3.247 -0.229) 3.636 3.660 ( 4.168 -8.781 0.939) 9.765 3.806 ( 0.877 -6.653 -4.310) 7.975 3.836 ( 4.237 -7.945 1.707) 9.165 4.020 ( -6.019 -0.508 -4.514) 7.541 4.114 ( -9.583 1.332 3.605) 10.325 4.511 ( -3.094 4.243 0.097) 5.253 4.689 ( 0.579 3.550 -3.581) 5.075 4.770 ( -3.027 4.794 2.241) 6.096 4.920 ( -3.063 0.603 -0.897) 3.248 4.981 ( -2.683 0.012 -0.214) 2.691 5.267 ( -1.186 0.905 -0.972) 1.780 5.372 ( -0.088 3.811 -4.468) 5.873 5.523 ( -0.082 -7.441 2.440) 7.832 5.835 ( 2.561 -0.551 1.336) 2.940 5.899 ( -0.421 0.334 2.505) 2.562 6.117 ( -1.796 -2.856 1.100) 3.548 6.203 ( 1.363 -4.316 1.193) 4.681 6.289 ( 1.547 4.080 -5.734) 7.206 6.492 ( -2.154 -6.959 0.586) 7.308 6.819 ( -2.275 -5.923 -1.156) 6.449 7.041 ( -0.766 6.892 -4.725) 8.391 7.229 ( -2.817 2.393 0.346) 3.712 7.307 ( 1.549 14.274 2.073) 14.507 7.544 ( -3.054 -5.730 0.851) 6.549 7.994 ( 0.058 1.374 1.613) 2.120 8.095 ( 1.598 -7.522 -2.268) 8.018 8.195 ( 0.323 1.269 1.504) 1.994 8.268 ( -2.414 -6.888 -0.461) 7.314 8.538 ( 0.857 -3.415 0.279) 3.531 8.688 ( 2.677 -9.969 1.436) 10.422 9.161 ( -0.706 0.950 1.302) 1.759 9.253 ( -1.319 2.242 -3.428) 4.304 9.694 ( 1.572 9.372 3.008) 9.968 9.834 ( 0.875 6.730 0.454) 6.802 10.135 ( -0.167 8.240 -0.654) 8.268 10.370 ( 0.929 8.002 0.827) 8.098 11.261 ( 6.737 -13.026 -3.682) 15.121 11.661 ( -4.205 -11.839 6.021) 13.932 12.363 ( 2.036 -8.076 -3.860) 9.179 12.561 ( -9.001 -8.413 1.973) 12.477 12.888 ( -0.813 1.893 0.073) 2.062 13.829 ( 2.955 -3.814 -2.039) 5.238 13.920 ( 1.691 -0.798 -4.270) 4.662 14.499 ( 6.508 9.370 -4.162) 12.144 14.641 ( -6.010 10.376 6.877) 13.823 15.177 ( 9.612 -13.233 2.709) 16.578 16.313 ( 0.647 3.863 1.250) 4.112 16.400 ( -3.119 16.065 -2.584) 16.568 17.119 ( -0.857 8.774 1.681) 8.975 ======================= Grid point 37 (26/172) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 7.006 -3.130 5.798) 9.618 1.899 ( 4.035 -6.728 -2.184) 8.143 2.240 ( 3.013 -4.887 1.670) 5.979 2.345 ( -6.112 -3.569 -1.142) 7.170 2.590 ( -0.441 -2.915 -1.907) 3.511 2.717 ( -4.142 -1.920 -0.028) 4.565 2.986 ( 4.174 -9.205 2.757) 10.477 3.072 ( -1.409 -7.680 -2.742) 8.275 3.410 ( 4.131 -13.498 5.791) 15.258 3.492 ( 1.216 -10.335 -0.647) 10.426 3.561 ( -5.532 -6.165 -7.617) 11.254 3.815 ( 4.833 0.059 0.161) 4.836 3.942 ( 3.447 -12.169 2.250) 12.846 4.021 ( -2.413 -5.476 1.503) 6.170 4.045 ( -3.211 -11.899 -0.563) 12.338 4.134 ( 0.067 -8.417 0.804) 8.456 4.454 ( -2.417 -1.095 0.127) 2.656 4.663 ( 2.180 0.440 -3.570) 4.206 4.704 ( -2.191 0.375 3.815) 4.415 4.898 ( -2.397 -0.958 -3.726) 4.533 4.966 ( -1.328 -0.036 1.019) 1.674 5.218 ( 2.981 5.185 -0.427) 5.996 5.285 ( -4.649 2.684 -2.503) 5.923 5.585 ( -0.991 -0.662 2.323) 2.611 5.863 ( 2.276 1.030 4.550) 5.191 5.976 ( 1.290 -6.638 -3.118) 7.447 6.121 ( -1.845 -0.839 0.320) 2.051 6.224 ( 1.569 3.800 -0.047) 4.111 6.328 ( 0.420 -7.965 -1.304) 8.082 6.585 ( -1.487 -3.888 -0.723) 4.225 6.918 ( 0.599 -4.761 -1.695) 5.089 6.932 ( 0.017 3.400 -0.737) 3.479 7.052 ( 1.001 14.219 0.466) 14.262 7.156 ( -1.630 3.220 1.240) 3.816 7.619 ( -1.733 -4.169 -0.520) 4.545 7.984 ( -0.165 -0.356 1.839) 1.881 8.073 ( -0.363 8.616 0.767) 8.658 8.273 ( 0.789 -9.312 -1.805) 9.518 8.396 ( -1.043 -7.453 0.304) 7.531 8.611 ( 0.248 -3.228 0.122) 3.240 8.902 ( 1.810 -10.530 0.745) 10.710 9.165 ( 0.212 -1.120 4.742) 4.877 9.206 ( -0.899 1.140 -5.381) 5.574 9.513 ( 0.638 11.079 0.294) 11.102 9.708 ( 0.303 7.562 0.464) 7.582 9.964 ( -0.264 9.927 -0.173) 9.933 10.246 ( 0.048 5.717 0.315) 5.726 11.573 ( 4.757 -15.857 -2.837) 16.797 11.851 ( -3.963 -11.318 4.506) 12.811 12.557 ( 4.222 -10.104 -3.926) 11.633 12.649 ( -6.357 -7.766 2.443) 10.329 12.875 ( -2.584 -2.867 0.242) 3.867 13.763 ( 3.250 6.986 -3.312) 8.387 14.001 ( -2.080 -0.171 1.297) 2.457 14.288 ( 3.612 16.685 -6.763) 18.362 14.459 ( -2.740 4.227 7.299) 8.869 15.532 ( 18.049 -8.892 2.441) 20.268 15.963 ( -13.124 18.791 -1.582) 22.975 16.282 ( -0.226 1.641 -0.052) 1.657 16.989 ( -0.523 5.091 0.138) 5.120 ======================= Grid point 38 (27/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.000 4.540 0.000) 4.540 2.049 ( -0.000 -4.702 -0.000) 4.702 2.300 ( 0.000 3.905 0.000) 3.905 2.367 ( -0.000 -6.173 -0.000) 6.173 2.510 ( 0.000 7.332 0.000) 7.332 2.767 ( -0.000 -3.610 -0.000) 3.610 3.131 ( -0.000 -3.052 -0.000) 3.052 3.164 ( -0.000 -4.895 -0.000) 4.895 3.502 ( 0.000 1.197 0.000) 1.197 3.619 ( -0.000 -4.963 -0.000) 4.963 3.682 ( -0.000 -6.881 -0.000) 6.881 3.862 ( -0.000 -2.087 -0.000) 2.087 4.098 ( -0.000 -4.770 -0.000) 4.770 4.193 ( -0.000 -7.108 -0.000) 7.108 4.268 ( -0.000 -16.927 -0.000) 16.927 4.350 ( -0.000 -11.968 -0.000) 11.968 4.508 ( -0.000 -5.661 -0.000) 5.661 4.677 ( -0.000 -0.890 -0.000) 0.890 4.700 ( 0.000 1.039 0.000) 1.039 4.899 ( -0.000 -0.590 -0.000) 0.590 4.949 ( 0.000 2.230 0.000) 2.230 5.125 ( 0.000 3.913 0.000) 3.913 5.248 ( -0.000 -0.488 -0.000) 0.488 5.569 ( 0.000 1.847 0.000) 1.847 5.842 ( 0.000 3.063 0.000) 3.063 6.053 ( -0.000 -1.235 -0.000) 1.235 6.158 ( 0.000 3.462 0.000) 3.462 6.165 ( -0.000 -4.576 -0.000) 4.576 6.505 ( -0.000 -7.945 -0.000) 7.945 6.590 ( 0.000 0.004 0.000) 0.004 6.793 ( 0.000 11.807 0.000) 11.807 6.892 ( 0.000 0.860 0.000) 0.860 7.049 ( -0.000 -6.437 -0.000) 6.437 7.100 ( 0.000 1.995 0.000) 1.995 7.665 ( -0.000 -2.263 -0.000) 2.263 7.899 ( 0.000 9.440 0.000) 9.440 8.012 ( -0.000 -2.515 -0.000) 2.515 8.442 ( -0.000 -8.024 -0.000) 8.024 8.505 ( -0.000 -4.985 -0.000) 4.985 8.636 ( 0.000 0.860 0.000) 0.860 9.077 ( -0.000 -7.224 -0.000) 7.224 9.174 ( 0.000 1.333 0.000) 1.333 9.203 ( -0.000 -0.626 -0.000) 0.626 9.340 ( 0.000 6.787 0.000) 6.787 9.582 ( 0.000 5.690 0.000) 5.690 9.795 ( 0.000 7.482 0.000) 7.482 10.174 ( 0.000 2.074 0.000) 2.074 11.893 ( -0.000 -16.403 -0.000) 16.403 11.971 ( -0.000 -2.541 -0.000) 2.541 12.658 ( 0.000 1.202 0.000) 1.202 12.805 ( -0.000 -11.123 -0.000) 11.123 12.991 ( -0.000 -11.634 -0.000) 11.634 13.721 ( -0.000 -2.840 -0.000) 2.840 13.859 ( 0.000 11.676 0.000) 11.676 13.972 ( 0.000 18.514 0.000) 18.514 14.439 ( 0.000 1.035 0.000) 1.035 15.327 ( 0.000 29.423 0.000) 29.423 15.972 ( -0.000 -15.680 -0.000) 15.680 16.280 ( -0.000 -2.523 -0.000) 2.523 16.918 ( 0.000 2.568 0.000) 2.568 ======================= Grid point 45 (28/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 5.801 -0.000 8.509) 10.298 1.633 ( 4.221 -0.000 -3.485) 5.474 1.687 ( 14.495 -0.000 1.243) 14.549 2.041 ( 3.188 -0.000 -1.849) 3.685 2.131 ( 3.390 -0.000 -2.362) 4.132 2.501 ( 3.500 -0.000 -3.168) 4.720 2.533 ( -13.853 0.000 2.414) 14.062 2.661 ( 0.632 -0.000 1.188) 1.346 2.830 ( -2.106 0.000 4.324) 4.809 2.991 ( 14.588 -0.000 8.124) 16.697 3.334 ( -1.179 0.000 -4.452) 4.605 3.595 ( 9.019 -0.000 0.270) 9.023 3.597 ( 0.669 -0.000 -4.076) 4.130 3.732 ( 3.159 -0.000 8.842) 9.389 3.985 ( -8.425 0.000 -6.743) 10.791 4.206 ( -7.521 0.000 0.930) 7.578 4.662 ( -3.741 0.000 1.421) 4.002 4.813 ( -0.591 0.000 -4.879) 4.914 4.947 ( -0.531 0.000 -0.933) 1.073 4.958 ( -8.684 0.000 1.672) 8.844 4.979 ( -2.919 0.000 2.797) 4.043 5.197 ( -0.172 0.000 -3.542) 3.546 5.223 ( -0.020 0.000 -3.280) 3.280 5.585 ( 0.996 -0.000 -3.072) 3.230 5.868 ( 1.001 -0.000 2.150) 2.371 5.924 ( -0.717 0.000 -2.459) 2.561 5.933 ( 0.812 -0.000 1.195) 1.445 6.113 ( 2.080 -0.000 3.449) 4.028 6.341 ( -2.863 0.000 1.599) 3.279 6.456 ( -6.512 0.000 -2.395) 6.938 6.633 ( -0.254 0.000 -0.700) 0.744 7.219 ( -1.106 0.000 -4.934) 5.057 7.229 ( -2.521 0.000 1.514) 2.941 7.421 ( 0.197 -0.000 -0.318) 0.374 7.733 ( -2.099 0.000 0.933) 2.297 7.927 ( 2.272 -0.000 -2.057) 3.065 8.018 ( -1.058 0.000 0.478) 1.161 8.038 ( -0.573 0.000 0.363) 0.679 8.108 ( 1.390 -0.000 1.592) 2.113 8.493 ( 1.746 -0.000 0.309) 1.773 8.519 ( 0.703 -0.000 0.855) 1.107 9.200 ( -1.267 0.000 -3.267) 3.504 9.309 ( -1.555 0.000 -0.348) 1.593 9.868 ( 1.584 -0.000 6.507) 6.697 9.979 ( -0.215 0.000 -1.101) 1.121 10.306 ( 0.304 -0.000 -0.571) 0.647 10.588 ( 1.286 -0.000 1.408) 1.907 10.994 ( 7.218 -0.000 -4.154) 8.328 11.417 ( -3.300 0.000 5.373) 6.306 12.207 ( 2.375 -0.000 -3.618) 4.328 12.388 ( -8.059 0.000 2.449) 8.423 12.979 ( -0.574 0.000 0.615) 0.842 13.519 ( 1.267 -0.000 -0.996) 1.611 14.048 ( 6.165 -0.000 -4.547) 7.661 14.520 ( 5.416 -0.000 0.570) 5.446 14.858 ( -5.960 0.000 -4.090) 7.229 14.988 ( 5.211 -0.000 7.390) 9.042 16.377 ( 0.830 -0.000 0.601) 1.025 16.693 ( 0.296 -0.000 -2.164) 2.184 17.384 ( -0.695 0.000 3.111) 3.188 ======================= Grid point 46 (29/172) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 3.799 -15.459 4.616) 16.574 1.753 ( 5.948 -5.266 -1.219) 8.037 1.865 ( 2.975 -12.496 -0.363) 12.851 2.120 ( 1.821 -4.260 -0.976) 4.735 2.265 ( 2.864 -9.527 -1.105) 10.010 2.483 ( -8.771 -8.169 0.994) 12.027 2.664 ( -0.510 -0.520 -0.345) 0.806 2.668 ( 1.928 -14.963 0.103) 15.087 2.943 ( -0.600 -12.490 2.452) 12.742 3.070 ( 4.891 1.210 2.551) 5.647 3.408 ( -0.500 -8.028 -2.362) 8.383 3.603 ( 7.654 0.388 0.173) 7.666 3.695 ( -0.081 -3.235 3.282) 4.609 3.808 ( 5.092 -4.527 0.894) 6.871 3.935 ( -4.748 -1.940 -5.384) 7.436 4.109 ( -6.510 4.320 1.580) 7.971 4.579 ( -2.555 5.130 0.115) 5.733 4.764 ( 1.233 3.790 -2.826) 4.886 4.829 ( -5.022 4.670 1.036) 6.936 4.931 ( -1.921 2.631 -0.765) 3.347 4.961 ( -1.332 -0.246 1.187) 1.801 5.205 ( -0.982 -3.412 -1.441) 3.832 5.355 ( 0.314 -9.862 -0.468) 9.878 5.497 ( 0.923 7.253 -1.538) 7.471 5.863 ( 1.233 1.255 0.618) 1.865 5.914 ( -0.861 0.919 0.134) 1.266 6.026 ( 0.340 -6.465 0.916) 6.538 6.148 ( 0.778 -2.236 1.195) 2.651 6.362 ( -0.150 0.388 -7.188) 7.201 6.368 ( -2.638 -1.095 5.940) 6.591 6.690 ( -1.334 -5.465 -0.574) 5.655 7.147 ( -0.613 5.489 -2.036) 5.886 7.229 ( -1.285 -0.337 -0.089) 1.331 7.438 ( 0.337 -2.050 0.066) 2.079 7.575 ( -0.991 12.168 0.940) 12.244 7.989 ( 1.206 -4.829 -1.611) 5.232 8.018 ( -0.060 0.784 0.275) 0.833 8.093 ( -0.636 -6.939 0.326) 6.975 8.195 ( -0.075 -4.787 1.068) 4.905 8.509 ( 0.413 -0.421 -0.022) 0.590 8.562 ( 1.049 -5.045 0.684) 5.198 9.176 ( -0.628 1.212 -1.034) 1.712 9.281 ( -0.752 1.749 -0.606) 1.998 9.840 ( 0.864 4.952 3.319) 6.023 9.938 ( 0.009 3.939 -0.874) 4.035 10.259 ( 0.172 5.083 -0.293) 5.095 10.526 ( 0.766 7.143 0.607) 7.210 11.115 ( 4.496 -7.693 -2.630) 9.290 11.460 ( -2.807 -6.946 3.493) 8.265 12.273 ( 4.275 -4.376 -3.645) 7.122 12.368 ( -7.432 -4.692 2.904) 9.257 12.939 ( -0.159 3.258 0.149) 3.266 13.636 ( 0.403 -10.661 -0.484) 10.679 14.042 ( 3.448 4.875 -2.741) 6.570 14.603 ( 3.125 -2.469 -0.048) 3.983 14.754 ( -3.993 6.032 0.751) 7.273 15.050 ( 3.175 -4.057 1.829) 5.467 16.365 ( 0.402 1.890 0.337) 1.962 16.625 ( -0.019 8.025 -1.058) 8.094 17.291 ( -0.355 9.033 1.332) 9.138 ======================= Grid point 47 (30/172) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.000 -14.956 -0.000) 14.956 1.844 ( -0.000 -2.378 -0.000) 2.378 2.155 ( -0.000 -14.272 -0.000) 14.272 2.189 ( -0.000 -3.474 -0.000) 3.474 2.443 ( -0.000 -9.436 -0.000) 9.436 2.676 ( -0.000 -1.776 -0.000) 1.776 2.718 ( -0.000 -18.284 -0.000) 18.284 3.034 ( 0.000 1.667 0.000) 1.667 3.044 ( -0.000 -22.919 -0.000) 22.919 3.248 ( -0.000 -17.098 -0.000) 17.098 3.501 ( -0.000 -1.219 -0.000) 1.219 3.750 ( -0.000 -12.542 -0.000) 12.542 3.781 ( -0.000 -7.737 -0.000) 7.737 3.932 ( -0.000 -5.142 -0.000) 5.142 3.950 ( 0.000 8.130 0.000) 8.130 3.988 ( -0.000 -6.215 -0.000) 6.215 4.478 ( 0.000 4.032 0.000) 4.032 4.710 ( 0.000 2.970 0.000) 2.970 4.723 ( 0.000 3.588 0.000) 3.588 4.882 ( 0.000 1.003 0.000) 1.003 4.959 ( -0.000 -0.153 -0.000) 0.153 5.249 ( -0.000 -1.405 -0.000) 1.405 5.373 ( 0.000 6.864 0.000) 6.864 5.524 ( -0.000 -6.841 -0.000) 6.841 5.871 ( -0.000 -2.911 -0.000) 2.911 5.889 ( 0.000 0.934 0.000) 0.934 6.102 ( -0.000 -1.511 -0.000) 1.511 6.216 ( -0.000 -4.785 -0.000) 4.785 6.297 ( 0.000 3.314 0.000) 3.314 6.471 ( -0.000 -6.964 -0.000) 6.964 6.797 ( -0.000 -6.871 -0.000) 6.871 7.030 ( 0.000 6.386 0.000) 6.386 7.204 ( 0.000 2.376 0.000) 2.376 7.325 ( 0.000 14.412 0.000) 14.412 7.515 ( -0.000 -5.541 -0.000) 5.541 7.998 ( 0.000 1.266 0.000) 1.266 8.107 ( -0.000 -7.248 -0.000) 7.248 8.204 ( 0.000 3.418 0.000) 3.418 8.241 ( -0.000 -8.818 -0.000) 8.818 8.544 ( -0.000 -3.385 -0.000) 3.385 8.715 ( -0.000 -10.352 -0.000) 10.352 9.155 ( 0.000 0.354 0.000) 0.354 9.237 ( 0.000 2.458 0.000) 2.458 9.711 ( 0.000 9.578 0.000) 9.578 9.842 ( 0.000 6.530 0.000) 6.530 10.133 ( 0.000 8.494 0.000) 8.494 10.379 ( 0.000 8.444 0.000) 8.444 11.326 ( -0.000 -13.044 -0.000) 13.044 11.620 ( -0.000 -11.439 -0.000) 11.439 12.421 ( -0.000 -7.988 -0.000) 7.988 12.439 ( -0.000 -8.433 -0.000) 8.433 12.882 ( 0.000 2.494 0.000) 2.494 13.857 ( -0.000 -11.947 -0.000) 11.947 13.929 ( 0.000 8.426 0.000) 8.426 14.554 ( 0.000 9.813 0.000) 9.813 14.591 ( 0.000 9.368 0.000) 9.368 15.268 ( -0.000 -17.478 -0.000) 17.478 16.323 ( 0.000 2.642 0.000) 2.642 16.366 ( 0.000 20.854 0.000) 20.854 17.113 ( 0.000 8.955 0.000) 8.955 ======================= Grid point 58 (31/172) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 -0.000 -0.000) 0.000 1.657 ( 0.000 -0.000 0.000) 0.000 1.822 ( 0.000 -0.000 0.000) 0.000 2.086 ( 0.000 -0.000 -0.000) 0.000 2.202 ( -0.000 0.000 0.000) 0.000 2.355 ( 0.000 -0.000 -0.000) 0.000 2.523 ( 0.000 -0.000 0.000) 0.000 2.664 ( 0.000 -0.000 -0.000) 0.000 2.817 ( 0.000 -0.000 0.000) 0.000 3.113 ( 0.000 -0.000 0.000) 0.000 3.317 ( 0.000 -0.000 0.000) 0.000 3.662 ( 0.000 -0.000 -0.000) 0.000 3.692 ( 0.000 -0.000 0.000) 0.000 3.759 ( 0.000 -0.000 0.000) 0.000 3.889 ( 0.000 -0.000 -0.000) 0.000 4.126 ( 0.000 -0.000 -0.000) 0.000 4.621 ( 0.000 -0.000 -0.000) 0.000 4.823 ( 0.000 -0.000 -0.000) 0.000 4.842 ( 0.000 -0.000 -0.000) 0.000 4.944 ( 0.000 -0.000 -0.000) 0.000 4.953 ( -0.000 0.000 0.000) 0.000 5.199 ( 0.000 -0.000 0.000) 0.000 5.219 ( 0.000 -0.000 -0.000) 0.000 5.586 ( 0.000 -0.000 -0.000) 0.000 5.879 ( 0.000 -0.000 0.000) 0.000 5.917 ( 0.000 -0.000 -0.000) 0.000 5.947 ( 0.000 -0.000 0.000) 0.000 6.136 ( 0.000 -0.000 -0.000) 0.000 6.315 ( 0.000 -0.000 -0.000) 0.000 6.395 ( 0.000 -0.000 0.000) 0.000 6.630 ( 0.000 -0.000 0.000) 0.000 7.206 ( 0.000 -0.000 0.000) 0.000 7.208 ( 0.000 -0.000 -0.000) 0.000 7.424 ( 0.000 -0.000 -0.000) 0.000 7.712 ( 0.000 -0.000 0.000) 0.000 7.945 ( 0.000 -0.000 0.000) 0.000 8.008 ( 0.000 -0.000 -0.000) 0.000 8.035 ( 0.000 -0.000 -0.000) 0.000 8.122 ( 0.000 -0.000 0.000) 0.000 8.509 ( 0.000 -0.000 0.000) 0.000 8.526 ( 0.000 -0.000 -0.000) 0.000 9.185 ( 0.000 -0.000 -0.000) 0.000 9.294 ( 0.000 -0.000 0.000) 0.000 9.892 ( 0.000 -0.000 -0.000) 0.000 9.972 ( 0.000 -0.000 0.000) 0.000 10.308 ( 0.000 -0.000 0.000) 0.000 10.601 ( 0.000 -0.000 -0.000) 0.000 11.062 ( 0.000 -0.000 -0.000) 0.000 11.384 ( 0.000 -0.000 -0.000) 0.000 12.271 ( 0.000 -0.000 -0.000) 0.000 12.274 ( -0.000 0.000 0.000) 0.000 12.975 ( 0.000 -0.000 0.000) 0.000 13.530 ( 0.000 -0.000 -0.000) 0.000 14.102 ( 0.000 -0.000 0.000) 0.000 14.568 ( 0.000 -0.000 0.000) 0.000 14.791 ( 0.000 -0.000 0.000) 0.000 15.046 ( 0.000 -0.000 -0.000) 0.000 16.385 ( 0.000 -0.000 -0.000) 0.000 16.693 ( 0.000 -0.000 0.000) 0.000 17.382 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 105 (32/172) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 10.549 -0.000 19.135) 21.850 0.455 ( 17.988 -0.000 23.251) 29.397 0.982 ( 1.610 -0.000 47.641) 47.668 1.449 ( 1.072 -0.000 -3.300) 3.470 1.976 ( -1.062 0.000 -6.743) 6.826 2.066 ( -2.473 0.000 -4.209) 4.882 2.586 ( -8.945 0.000 -18.108) 20.197 2.858 ( 2.693 -0.000 -3.492) 4.410 3.006 ( 6.304 -0.000 -0.243) 6.308 3.070 ( -2.277 0.000 -0.313) 2.298 3.194 ( 6.200 -0.000 -3.818) 7.281 3.561 ( -4.214 0.000 8.003) 9.044 3.611 ( -0.504 0.000 1.755) 1.826 4.137 ( -5.783 0.000 -0.502) 5.805 4.467 ( 1.954 -0.000 1.253) 2.321 4.521 ( -0.032 0.000 1.541) 1.542 4.542 ( -0.437 0.000 -8.562) 8.573 4.817 ( -6.716 0.000 -4.390) 8.024 4.940 ( 3.377 -0.000 -3.078) 4.569 4.950 ( -13.111 0.000 1.528) 13.200 5.142 ( -3.228 0.000 -11.519) 11.963 5.189 ( 0.625 -0.000 0.370) 0.727 5.279 ( -4.811 0.000 8.436) 9.711 5.453 ( 2.990 -0.000 -3.448) 4.564 5.750 ( 1.672 -0.000 2.560) 3.057 5.836 ( 4.407 -0.000 6.658) 7.984 6.026 ( 6.447 -0.000 -0.512) 6.467 6.182 ( -4.330 0.000 -3.506) 5.572 6.261 ( 9.728 -0.000 2.867) 10.141 6.661 ( -0.311 0.000 0.988) 1.036 6.858 ( -5.080 0.000 6.312) 8.102 7.254 ( 0.069 -0.000 -4.307) 4.307 7.455 ( 2.091 -0.000 -7.908) 8.180 7.655 ( 2.006 -0.000 3.672) 4.184 7.658 ( 0.465 -0.000 8.710) 8.722 7.911 ( -0.311 0.000 1.883) 1.908 8.170 ( 11.138 -0.000 -2.293) 11.372 8.174 ( -2.117 0.000 -1.432) 2.556 8.253 ( -3.404 0.000 2.343) 4.133 8.342 ( 1.487 -0.000 0.774) 1.676 8.621 ( -9.199 0.000 2.127) 9.441 9.062 ( -0.513 0.000 -3.867) 3.901 9.462 ( -1.076 0.000 -0.912) 1.411 9.614 ( 9.037 -0.000 -2.161) 9.292 10.048 ( 8.448 -0.000 3.958) 9.329 10.322 ( -1.182 0.000 -1.821) 2.171 10.470 ( 1.323 -0.000 0.841) 1.568 10.635 ( -1.889 0.000 1.061) 2.166 11.337 ( 2.542 -0.000 -3.736) 4.518 12.394 ( -0.373 0.000 4.390) 4.406 12.840 ( -1.024 0.000 -0.701) 1.241 12.983 ( 6.290 -0.000 -0.578) 6.317 13.672 ( -6.527 0.000 -0.573) 6.552 13.736 ( 6.966 -0.000 -0.658) 6.997 14.162 ( 4.175 -0.000 0.755) 4.243 14.488 ( -31.547 0.000 -4.093) 31.811 15.415 ( 3.708 -0.000 7.283) 8.172 16.247 ( -4.571 0.000 -5.726) 7.326 16.406 ( 0.042 -0.000 3.055) 3.055 17.595 ( 19.416 -0.000 -1.087) 19.446 ======================= Grid point 106 (33/172) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 15.417 -12.183 15.877) 25.263 0.828 ( 7.256 -15.585 20.693) 26.902 1.361 ( 17.337 -22.968 25.020) 38.132 1.641 ( 0.321 -21.985 -2.824) 22.168 2.160 ( -0.463 -16.248 -10.690) 19.455 2.266 ( -3.022 -22.490 -4.826) 23.200 2.501 ( -7.708 -1.649 -17.882) 19.542 2.820 ( -3.718 9.058 1.743) 9.945 2.970 ( 2.264 -6.211 -3.301) 7.389 3.079 ( -1.795 -0.906 2.148) 2.943 3.328 ( 3.105 -8.752 -4.616) 10.370 3.604 ( 0.574 -3.565 7.731) 8.533 3.663 ( 1.846 -6.456 6.989) 9.692 4.033 ( -8.953 2.748 -2.034) 9.584 4.436 ( -6.686 -0.383 -10.406) 12.375 4.516 ( -0.678 -0.017 6.322) 6.358 4.548 ( 3.687 0.915 -2.699) 4.660 4.768 ( -0.561 1.618 0.404) 1.759 4.877 ( 1.163 3.393 0.010) 3.587 4.935 ( 5.134 4.009 -2.853) 7.111 5.104 ( -2.832 0.367 -9.821) 10.227 5.209 ( -5.533 0.034 0.726) 5.580 5.285 ( 0.513 -3.944 5.225) 6.567 5.500 ( 0.966 -3.256 -2.620) 4.289 5.792 ( 3.566 -0.940 4.109) 5.521 5.934 ( 2.540 -4.397 0.171) 5.080 6.054 ( 2.353 -0.094 -1.451) 2.766 6.079 ( -2.828 4.718 -3.061) 6.295 6.286 ( 3.576 5.329 3.815) 7.466 6.622 ( -0.786 0.528 7.009) 7.073 6.931 ( 0.481 -3.615 -6.848) 7.758 7.116 ( -1.788 8.322 -4.515) 9.635 7.542 ( -2.536 -2.437 -1.068) 3.676 7.658 ( 0.302 -1.598 2.268) 2.791 7.715 ( 3.622 -2.726 3.136) 5.513 7.843 ( -4.070 8.445 8.720) 12.803 8.126 ( -0.777 -4.276 -2.070) 4.814 8.217 ( 3.087 2.062 0.169) 3.716 8.265 ( 0.236 -0.006 -0.795) 0.829 8.407 ( 1.429 -4.977 1.016) 5.277 8.518 ( -12.647 -2.527 7.357) 14.848 9.019 ( 5.685 3.432 -3.186) 7.365 9.439 ( -1.729 1.328 -0.543) 2.247 9.617 ( 8.917 7.509 1.184) 11.717 9.933 ( 2.888 9.407 8.857) 13.239 10.262 ( -1.719 3.273 -2.684) 4.569 10.424 ( 1.042 5.279 0.458) 5.400 10.779 ( -0.193 -10.422 -3.950) 11.147 11.500 ( 2.339 -12.538 -1.507) 12.843 12.436 ( -2.390 -4.812 2.889) 6.100 12.879 ( -3.435 -6.316 -1.707) 7.389 12.926 ( 2.507 6.975 -0.981) 7.477 13.669 ( -5.482 -1.660 0.720) 5.773 13.814 ( 6.546 -1.800 0.511) 6.808 14.157 ( 2.506 5.218 3.657) 6.847 14.349 ( -15.952 -9.446 -6.517) 19.652 15.378 ( 1.358 7.473 10.010) 12.565 16.277 ( -0.030 -1.497 -6.255) 6.432 16.437 ( 1.889 -1.316 -6.459) 6.857 17.484 ( 4.854 15.292 5.523) 16.968 ======================= Grid point 107 (34/172) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 11.619 -14.488 15.139) 23.961 1.193 ( 8.909 -13.800 10.928) 19.729 1.789 ( 11.316 -12.312 1.017) 16.753 2.227 ( -3.237 -25.084 -7.373) 26.344 2.465 ( 2.665 -22.953 0.832) 23.122 2.553 ( -0.765 -12.404 -10.144) 16.042 2.617 ( -0.730 -2.253 -2.810) 3.675 2.755 ( -1.484 -19.678 0.300) 19.736 3.045 ( 1.004 1.443 0.439) 1.812 3.161 ( -1.295 -10.079 -2.219) 10.402 3.509 ( 2.811 -7.070 -3.084) 8.210 3.684 ( 2.949 -4.041 4.334) 6.619 3.842 ( -2.906 -7.729 5.319) 9.822 3.945 ( -7.654 -5.027 1.203) 9.236 4.366 ( -8.707 -0.324 -12.090) 14.902 4.509 ( -2.195 0.710 1.439) 2.719 4.544 ( 1.165 1.109 2.912) 3.327 4.728 ( 2.323 3.193 -1.042) 4.084 4.819 ( -1.848 2.521 1.186) 3.343 4.904 ( 5.657 3.960 0.683) 6.939 5.054 ( -2.310 1.175 -6.073) 6.603 5.150 ( -2.886 1.611 -0.369) 3.325 5.383 ( 3.079 -3.514 -0.355) 4.685 5.568 ( -1.147 -4.213 -0.377) 4.382 5.857 ( 4.646 -2.088 2.270) 5.577 5.930 ( 4.982 7.433 -0.834) 8.987 6.004 ( -6.206 -1.374 -0.725) 6.398 6.125 ( 2.127 -3.868 1.635) 4.707 6.228 ( -0.372 0.856 0.704) 1.169 6.642 ( -0.420 -1.985 6.199) 6.523 6.880 ( 2.487 8.289 -8.742) 12.301 6.987 ( -4.285 2.731 -3.298) 6.058 7.502 ( -2.630 7.735 9.826) 12.779 7.523 ( -4.678 7.796 -2.260) 9.368 7.771 ( -6.862 -5.517 4.807) 10.032 7.874 ( 5.632 -6.193 1.024) 8.433 8.160 ( -1.007 2.915 -0.807) 3.188 8.210 ( 0.694 -0.899 -1.847) 2.168 8.305 ( 2.554 -4.969 1.536) 5.795 8.509 ( -3.587 -4.214 4.976) 7.442 8.558 ( 0.545 -8.360 -0.644) 8.403 9.032 ( 4.085 -0.161 -2.386) 4.734 9.382 ( -2.762 2.657 0.458) 3.860 9.530 ( 6.082 8.960 2.318) 11.075 9.828 ( 1.463 6.122 5.923) 8.643 10.157 ( -1.096 6.845 -1.771) 7.154 10.332 ( 0.557 5.058 -0.788) 5.149 10.996 ( 0.917 -14.054 -2.799) 14.359 11.780 ( 1.269 -15.994 2.130) 16.185 12.530 ( -4.040 -8.251 2.411) 9.499 12.813 ( -0.677 4.953 -2.057) 5.406 13.026 ( -3.048 -11.916 -2.869) 12.630 13.576 ( -2.521 6.124 1.050) 6.705 13.967 ( 7.692 -5.699 -1.945) 9.769 14.052 ( 1.033 6.790 3.883) 7.890 14.382 ( 1.374 0.623 -6.578) 6.749 15.204 ( -0.490 12.924 14.032) 19.083 16.257 ( 0.769 2.881 -2.494) 3.888 16.443 ( -2.167 -0.434 -13.569) 13.748 17.276 ( 0.361 10.368 6.457) 12.220 ======================= Grid point 108 (35/172) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 10.613 -12.952 8.476) 18.768 1.473 ( 4.708 -10.330 7.035) 13.356 2.102 ( 12.278 -11.043 -4.673) 17.162 2.343 ( -7.646 -6.039 -10.962) 14.666 2.532 ( -0.199 3.466 0.589) 3.522 2.768 ( 1.941 -8.172 -3.919) 9.268 2.983 ( 2.180 2.314 0.046) 3.179 3.124 ( -2.810 -18.133 2.509) 18.520 3.165 ( 3.360 -27.058 -4.131) 27.577 3.342 ( -1.853 -13.343 -2.628) 13.725 3.603 ( 1.425 -2.100 -2.828) 3.800 3.810 ( 2.233 -4.383 -5.617) 7.467 3.870 ( -2.638 -5.994 5.907) 8.819 4.087 ( -2.008 -7.028 9.712) 12.155 4.290 ( -8.609 -1.950 -6.245) 10.813 4.447 ( -3.278 1.734 -1.557) 4.022 4.573 ( -0.502 -3.156 4.821) 5.784 4.714 ( 2.292 -0.017 0.849) 2.445 4.758 ( -5.679 0.694 -0.488) 5.742 4.898 ( 2.446 0.980 -2.198) 3.431 5.019 ( 1.529 2.286 0.627) 2.821 5.113 ( -1.769 -0.505 -2.228) 2.890 5.435 ( 1.215 -0.551 -7.689) 7.804 5.635 ( 3.778 -1.281 8.384) 9.284 5.833 ( 4.004 6.802 1.599) 8.054 5.949 ( 2.177 -1.707 -1.077) 2.969 5.971 ( -5.169 -2.935 1.412) 6.109 6.207 ( 2.974 -2.556 -0.881) 4.019 6.263 ( -0.194 -4.812 -0.908) 4.901 6.686 ( -1.724 0.787 -0.063) 1.896 6.731 ( 1.375 4.694 -3.513) 6.022 6.922 ( -1.394 0.927 -2.077) 2.667 7.235 ( -6.633 11.984 3.686) 14.185 7.417 ( -3.555 5.071 3.434) 7.081 7.803 ( -6.028 -2.306 4.797) 8.041 7.977 ( 6.137 2.665 -0.988) 6.763 8.091 ( 0.559 1.249 0.889) 1.632 8.298 ( 0.016 -8.527 -1.653) 8.685 8.408 ( -0.060 -3.852 0.643) 3.906 8.564 ( 0.271 -3.379 2.107) 3.991 8.747 ( 1.397 -10.905 -0.527) 11.007 9.081 ( 2.595 -2.167 -2.969) 4.500 9.302 ( -2.996 3.294 1.320) 4.644 9.412 ( 3.385 8.496 2.181) 9.402 9.736 ( 0.496 5.473 4.435) 7.061 9.998 ( -0.503 9.372 0.355) 9.393 10.250 ( -0.150 4.089 -2.066) 4.584 11.294 ( 2.043 -17.110 -1.805) 17.326 12.082 ( -0.496 -15.332 4.305) 15.933 12.665 ( -5.075 -10.297 1.477) 11.575 12.724 ( 0.390 4.282 -1.331) 4.501 13.231 ( -3.357 -12.514 -6.389) 14.446 13.468 ( -2.451 1.337 0.213) 2.800 13.898 ( 3.675 10.026 4.366) 11.537 14.145 ( 8.388 -2.444 -5.963) 10.577 14.311 ( 7.747 10.518 -3.104) 13.427 14.968 ( -2.362 12.315 17.810) 21.782 16.200 ( 0.800 3.383 -3.166) 4.702 16.393 ( -4.334 0.832 -13.384) 14.092 17.126 ( -1.349 6.442 5.260) 8.425 ======================= Grid point 109 (36/172) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 3.985 -3.368 -4.213) 6.707 1.750 ( 5.808 -8.816 13.170) 16.879 2.308 ( 3.832 -1.349 -17.287) 17.758 2.421 ( 0.311 -8.623 1.341) 8.733 2.497 ( 0.455 0.035 1.331) 1.407 2.839 ( -3.387 -0.975 -2.420) 4.275 2.960 ( 6.868 1.433 -0.181) 7.018 3.229 ( -3.185 -3.177 0.160) 4.502 3.400 ( -6.110 3.524 -5.655) 9.041 3.572 ( -1.392 -9.100 -6.647) 11.355 3.710 ( 2.016 -9.101 -10.515) 14.052 3.871 ( 2.316 -1.212 -1.865) 3.211 4.067 ( 1.915 -12.228 5.620) 13.593 4.195 ( 0.131 -6.933 9.003) 11.364 4.261 ( -3.628 -0.180 4.374) 5.685 4.452 ( -1.966 -5.200 2.544) 6.113 4.641 ( -0.737 -3.717 0.581) 3.834 4.704 ( -3.136 1.440 1.445) 3.741 4.760 ( -0.391 -2.648 0.717) 2.771 4.866 ( -1.292 1.235 -4.753) 5.077 5.023 ( 3.570 0.070 3.324) 4.878 5.117 ( -2.163 -1.151 -0.002) 2.450 5.420 ( -2.691 0.239 -7.415) 7.892 5.685 ( 9.543 3.212 7.895) 12.795 5.767 ( 3.149 3.863 1.928) 5.344 5.906 ( -6.200 0.066 5.326) 8.174 6.067 ( -0.009 -5.269 -5.666) 7.737 6.243 ( 2.510 0.190 0.056) 2.518 6.413 ( 2.098 -9.469 -2.666) 10.058 6.536 ( -2.527 6.564 -5.964) 9.222 6.768 ( 1.810 -0.364 1.384) 2.308 6.912 ( -0.283 1.342 1.555) 2.073 7.006 ( -6.022 4.701 -1.015) 7.707 7.296 ( -2.918 4.991 4.222) 7.159 7.758 ( -4.479 1.930 4.299) 6.502 7.908 ( 3.727 6.062 0.446) 7.130 8.147 ( 3.045 -2.794 0.738) 4.198 8.407 ( -5.817 -2.662 4.639) 7.903 8.492 ( 3.390 -6.539 -6.606) 9.894 8.624 ( 0.962 -1.551 -0.370) 1.863 8.959 ( 1.444 -10.534 -0.159) 10.634 9.135 ( 2.420 -1.269 -4.534) 5.294 9.221 ( -2.813 2.838 1.406) 4.236 9.301 ( 1.629 5.889 3.343) 6.965 9.657 ( -0.592 3.307 4.616) 5.709 9.829 ( -0.457 8.127 1.726) 8.321 10.178 ( -0.255 3.086 -2.580) 4.031 11.619 ( 2.133 -15.704 -1.361) 15.907 12.261 ( -2.478 -2.829 5.265) 6.470 12.666 ( 1.538 2.055 -0.495) 2.614 12.824 ( -4.381 -11.294 -0.607) 12.129 13.329 ( 3.789 -0.866 -8.508) 9.354 13.564 ( -8.989 -13.942 0.826) 16.610 13.785 ( -0.815 1.938 3.085) 3.733 14.077 ( -4.308 8.951 -4.957) 11.102 14.219 ( 25.556 16.934 -0.322) 30.659 14.802 ( -4.812 4.067 16.944) 18.077 16.151 ( 0.183 1.784 -4.508) 4.851 16.329 ( -2.523 0.742 -11.436) 11.734 17.030 ( -1.813 3.387 4.560) 5.963 ======================= Grid point 110 (37/172) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 3.186 2.872 -7.557) 8.689 1.874 ( -0.320 -0.411 14.170) 14.180 2.261 ( -1.845 3.661 -15.701) 16.228 2.507 ( 2.410 1.686 2.072) 3.598 2.525 ( -0.693 -1.154 -3.019) 3.306 2.861 ( -2.773 -6.342 -1.969) 7.196 3.021 ( 5.293 -1.148 1.990) 5.770 3.155 ( -8.002 6.728 -1.100) 10.512 3.334 ( 5.981 -2.226 -7.298) 9.695 3.597 ( -2.959 0.778 -10.200) 10.649 3.816 ( -0.057 -0.290 -6.042) 6.049 3.864 ( 2.942 3.814 -1.153) 4.953 4.153 ( -2.663 -0.263 -1.263) 2.959 4.279 ( 0.033 1.292 3.789) 4.003 4.345 ( 5.069 -3.725 12.422) 13.924 4.553 ( 0.900 1.409 2.727) 3.199 4.619 ( 1.048 0.305 -1.035) 1.505 4.664 ( -2.952 -0.329 2.682) 4.002 4.817 ( 1.491 -3.962 1.952) 4.662 4.882 ( -3.455 -3.531 0.638) 4.981 5.049 ( 0.782 0.380 1.111) 1.411 5.124 ( -0.885 -1.674 2.987) 3.536 5.370 ( -4.223 1.089 -4.350) 6.159 5.691 ( 6.236 4.241 -2.706) 8.012 5.758 ( 4.709 1.274 6.904) 8.454 5.873 ( -7.071 -2.285 7.004) 10.212 6.109 ( -1.157 -0.409 -8.550) 8.638 6.263 ( 0.521 -0.776 1.369) 1.658 6.422 ( -1.155 2.295 -7.699) 8.116 6.573 ( 2.272 -1.421 0.431) 2.714 6.743 ( 3.144 0.819 -0.197) 3.255 6.892 ( -2.697 -3.187 3.658) 5.551 6.980 ( -2.487 -1.902 -2.383) 3.934 7.222 ( 1.005 2.109 4.167) 4.777 7.701 ( -1.806 0.870 2.523) 3.223 7.879 ( 0.705 -0.896 2.236) 2.510 8.193 ( 5.178 2.354 0.279) 5.694 8.371 ( -6.386 0.513 2.215) 6.779 8.600 ( -0.035 0.055 -2.069) 2.070 8.620 ( 2.309 -0.108 -4.712) 5.249 9.095 ( -2.025 1.940 -0.784) 2.912 9.114 ( 0.296 1.204 -2.301) 2.614 9.206 ( 1.293 -2.541 -0.308) 2.868 9.249 ( 0.613 -0.531 3.132) 3.235 9.625 ( -1.111 0.627 6.431) 6.557 9.749 ( 0.023 -1.081 1.609) 1.938 10.138 ( 0.350 0.720 -3.003) 3.108 11.823 ( -1.389 -3.082 -1.269) 3.611 12.190 ( 2.776 7.221 3.598) 8.532 12.648 ( -0.946 0.343 -1.116) 1.503 12.965 ( -1.755 -4.223 1.379) 4.777 13.359 ( 4.398 -0.361 -8.774) 9.821 13.685 ( -7.058 -5.045 1.735) 8.847 13.849 ( -4.067 -7.043 2.776) 8.593 13.962 ( -6.866 -7.297 -2.522) 10.332 14.058 ( 15.879 17.347 0.515) 23.522 14.745 ( -1.637 2.515 13.105) 13.445 16.134 ( 0.028 -0.335 -4.876) 4.888 16.320 ( 2.690 -1.422 -10.075) 10.524 16.980 ( -1.839 1.002 4.193) 4.687 ======================= Grid point 111 (38/172) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 1.238 8.765 -6.640) 11.066 1.781 ( -4.996 9.960 13.612) 17.591 2.117 ( -7.235 6.438 -14.905) 17.775 2.484 ( 3.261 1.801 -2.746) 4.628 2.513 ( -0.056 0.702 2.825) 2.912 2.908 ( -7.726 -1.277 -4.105) 8.841 3.042 ( 5.364 2.313 -3.111) 6.618 3.082 ( 2.202 -1.535 2.137) 3.431 3.429 ( 7.061 4.985 -3.921) 9.491 3.496 ( -3.585 4.214 -9.782) 11.238 3.650 ( -2.759 10.765 -5.724) 12.501 3.813 ( 4.151 10.550 -0.326) 11.341 4.042 ( -5.598 8.449 1.605) 10.262 4.228 ( 5.023 1.349 -3.171) 6.091 4.415 ( 3.604 0.642 11.334) 11.910 4.501 ( 5.638 5.444 4.710) 9.144 4.596 ( -2.349 0.243 2.109) 3.166 4.742 ( 3.176 -2.066 2.624) 4.609 4.844 ( 0.257 0.542 3.449) 3.501 4.926 ( -2.927 -2.163 -0.075) 3.641 5.012 ( -3.797 -0.268 -1.079) 3.956 5.160 ( -0.148 -0.376 2.881) 2.910 5.320 ( -2.441 -0.562 -2.997) 3.906 5.648 ( 2.637 3.811 -5.093) 6.886 5.798 ( 0.129 -2.285 6.695) 7.075 5.886 ( -1.773 -1.637 6.308) 6.754 6.060 ( -3.426 1.747 -10.572) 11.249 6.254 ( -0.729 2.143 0.814) 2.405 6.368 ( -2.298 2.823 -0.281) 3.651 6.596 ( 2.323 -4.066 -4.649) 6.599 6.758 ( 1.197 3.112 0.552) 3.379 6.999 ( 0.519 -4.600 2.621) 5.320 7.024 ( 0.138 -8.963 -0.146) 8.965 7.243 ( 4.302 -0.764 5.624) 7.122 7.718 ( -1.155 -3.679 2.054) 4.369 7.945 ( -0.195 -4.961 0.558) 4.996 8.149 ( 7.526 7.611 -1.616) 10.825 8.294 ( -6.934 1.862 2.728) 7.681 8.503 ( -2.529 5.756 -3.660) 7.275 8.650 ( 3.299 1.616 -0.540) 3.713 8.940 ( -2.148 9.863 -1.275) 10.174 9.054 ( -0.812 4.102 -0.580) 4.222 9.285 ( 1.018 -3.739 -2.454) 4.587 9.333 ( -0.968 -6.422 2.877) 7.103 9.629 ( -0.969 -1.786 6.398) 6.713 9.859 ( 0.120 -8.941 1.399) 9.051 10.156 ( 1.309 -2.130 -3.251) 4.101 11.664 ( -4.747 14.005 -0.033) 14.787 12.099 ( 6.390 10.076 -0.324) 11.935 12.668 ( -0.484 -3.617 -0.587) 3.696 12.907 ( 2.336 9.163 4.187) 10.342 13.410 ( 1.405 -0.414 -9.068) 9.185 13.670 ( -6.220 -4.041 4.456) 8.653 13.755 ( 5.296 13.590 1.376) 14.650 14.110 ( -15.768 -15.572 -1.968) 22.248 14.173 ( 0.014 -17.208 -3.173) 17.498 14.693 ( 3.211 4.603 14.561) 15.605 16.150 ( 0.265 -1.814 -4.430) 4.794 16.404 ( 7.171 -3.930 -10.247) 13.110 16.968 ( -1.618 -0.762 4.177) 4.544 ======================= Grid point 112 (39/172) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -3.571 13.343 -1.641) 13.910 1.483 ( -7.591 17.116 9.354) 20.930 1.871 ( -9.243 10.691 -7.803) 16.143 2.501 ( 2.965 -1.033 -2.582) 4.065 2.537 ( 4.614 0.054 2.718) 5.355 2.839 ( -5.830 1.447 -6.796) 9.070 2.929 ( 5.767 24.999 -1.785) 25.718 3.114 ( 0.869 1.865 -2.173) 2.993 3.157 ( -4.544 12.621 -6.568) 14.936 3.307 ( 2.031 15.661 -1.874) 15.903 3.422 ( -0.394 15.431 -0.775) 15.455 3.624 ( 3.956 6.286 -0.734) 7.463 3.997 ( 0.130 -1.156 4.179) 4.338 4.227 ( 1.495 3.567 -5.914) 7.066 4.395 ( 2.383 5.534 5.650) 8.260 4.468 ( 5.186 0.796 2.484) 5.805 4.615 ( 2.011 1.137 5.008) 5.516 4.702 ( 0.692 3.167 2.568) 4.135 4.843 ( -2.456 0.424 -3.214) 4.067 4.928 ( -2.863 -1.907 5.461) 6.454 5.069 ( -0.546 -6.105 -0.948) 6.202 5.131 ( -0.577 -0.044 -2.393) 2.462 5.364 ( -0.534 -4.183 -0.155) 4.220 5.595 ( 1.568 3.295 -3.452) 5.023 5.830 ( -5.683 0.076 6.229) 8.432 5.878 ( 4.362 2.471 -2.095) 5.433 5.993 ( -4.932 -0.671 -6.488) 8.178 6.203 ( 0.993 2.697 -0.528) 2.922 6.308 ( -4.393 0.266 6.240) 7.636 6.678 ( 1.342 3.548 0.179) 3.798 6.733 ( -0.117 -6.269 -6.118) 8.760 7.070 ( -1.363 -4.963 -1.941) 5.501 7.245 ( 6.647 -8.809 2.126) 11.239 7.330 ( 3.356 -4.976 10.259) 11.885 7.782 ( -1.064 -2.159 1.961) 3.104 7.971 ( 3.638 4.242 -3.802) 6.759 8.121 ( 4.342 1.542 -2.954) 5.473 8.206 ( -6.069 -0.580 5.856) 8.454 8.368 ( -1.992 6.043 -3.270) 7.154 8.607 ( 3.146 6.697 1.264) 7.506 8.752 ( -2.476 7.274 -0.355) 7.691 8.970 ( -1.399 3.724 1.093) 4.125 9.351 ( 0.888 -3.159 -3.848) 5.057 9.440 ( -2.419 -6.355 1.806) 7.036 9.682 ( -0.804 -3.693 6.177) 7.241 10.039 ( -0.358 -10.383 -0.220) 10.392 10.220 ( 1.733 -3.381 -2.290) 4.436 11.336 ( -4.031 16.466 -0.489) 16.960 11.912 ( 4.975 14.894 -0.734) 15.720 12.690 ( 2.458 6.685 0.047) 7.123 12.797 ( 0.578 0.089 3.177) 3.230 13.283 ( 6.315 15.316 -3.099) 16.854 13.677 ( -5.046 -4.003 1.543) 6.623 13.760 ( -5.805 -9.932 0.095) 11.505 14.152 ( -16.909 -4.209 -1.403) 17.481 14.437 ( 1.955 -8.497 -6.459) 10.851 14.770 ( 5.032 -9.640 16.897) 20.094 16.191 ( 0.339 -2.760 -3.553) 4.512 16.537 ( 7.069 -4.409 -12.529) 15.046 16.988 ( -0.420 -1.921 5.525) 5.864 ======================= Grid point 113 (40/172) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -9.355 18.583 0.080) 20.805 1.101 ( -8.768 16.844 13.507) 23.304 1.570 ( -4.713 15.949 1.113) 16.668 2.278 ( -0.743 40.190 1.198) 40.214 2.469 ( 3.366 12.687 -4.805) 13.978 2.605 ( 0.794 -5.596 0.448) 5.670 2.729 ( 1.526 13.260 -2.761) 13.630 2.761 ( -5.994 12.060 -8.061) 15.696 3.071 ( -0.475 5.331 -10.468) 11.757 3.190 ( -0.332 7.421 0.288) 7.434 3.234 ( 8.913 4.035 3.140) 10.275 3.539 ( 5.580 6.953 0.387) 8.923 3.928 ( -1.902 10.987 9.135) 14.414 4.146 ( -1.171 0.731 -4.789) 4.984 4.377 ( 5.364 1.150 0.234) 5.490 4.507 ( 2.428 -0.350 2.945) 3.833 4.580 ( -1.086 0.963 -0.229) 1.470 4.739 ( 1.634 -3.786 0.178) 4.128 4.833 ( -3.638 -2.384 -5.837) 7.280 4.910 ( -3.407 -1.261 2.852) 4.619 5.167 ( -1.484 -3.311 -0.862) 3.730 5.189 ( 2.267 -4.498 2.863) 5.794 5.399 ( -2.954 -0.672 -6.309) 6.998 5.562 ( 0.501 1.673 2.491) 3.042 5.730 ( 0.188 4.260 0.735) 4.327 5.874 ( -2.792 -0.365 -0.961) 2.975 5.999 ( 0.108 -1.604 -1.027) 1.908 6.175 ( 0.712 1.766 -2.692) 3.298 6.281 ( -5.166 -0.690 7.674) 9.277 6.623 ( 0.169 2.205 5.072) 5.533 6.834 ( 1.748 -4.702 -11.760) 12.786 7.141 ( -2.594 -4.426 -4.346) 6.724 7.412 ( 5.625 -4.925 5.534) 9.301 7.532 ( 3.742 -9.978 9.813) 14.487 7.731 ( 2.255 6.230 -0.578) 6.651 7.905 ( -1.971 5.463 -1.585) 6.020 8.096 ( 1.320 -0.651 1.205) 1.902 8.236 ( -0.032 4.912 2.519) 5.520 8.277 ( -0.778 -2.695 -3.127) 4.201 8.478 ( 2.735 8.391 -0.085) 8.826 8.644 ( -0.242 4.082 2.180) 4.634 8.918 ( -3.770 -0.804 4.258) 5.743 9.408 ( 1.520 -2.483 -4.218) 5.125 9.516 ( -3.906 -4.684 0.138) 6.101 9.756 ( 0.178 -4.014 6.618) 7.742 10.214 ( -1.099 -9.006 -2.695) 9.465 10.294 ( 1.697 -3.552 0.259) 3.945 11.028 ( -2.584 13.653 -1.656) 13.994 11.674 ( 3.906 14.845 -0.394) 15.355 12.552 ( 2.117 8.480 1.781) 8.919 12.847 ( -0.561 -3.471 -0.355) 3.534 13.056 ( 3.764 12.839 -1.324) 13.445 13.724 ( -3.934 -3.485 1.576) 5.486 13.892 ( -4.586 -7.406 -2.370) 9.028 14.019 ( -6.435 3.741 2.165) 7.752 14.547 ( -1.871 -5.455 -1.707) 6.014 15.067 ( 4.616 -13.548 10.252) 17.606 16.245 ( 0.458 -3.086 -2.167) 3.798 16.620 ( 0.045 -2.032 -17.656) 17.773 17.057 ( 4.655 -3.522 10.212) 11.762 ======================= Grid point 114 (41/172) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -6.586 19.966 5.529) 21.739 0.751 ( -2.717 20.469 15.793) 25.996 1.176 ( -4.341 22.798 27.444) 35.941 1.649 ( -1.187 22.726 -2.465) 22.890 2.177 ( 1.286 16.738 -7.528) 18.398 2.322 ( -1.228 20.822 -5.987) 21.700 2.672 ( -7.505 -0.755 -13.615) 15.565 2.783 ( 6.966 -7.818 2.469) 10.758 2.930 ( 3.166 7.565 -5.305) 9.768 3.112 ( -2.809 1.177 -0.165) 3.051 3.218 ( 9.440 7.260 -1.442) 11.996 3.539 ( 4.928 -1.914 3.580) 6.385 3.694 ( -3.001 10.402 7.860) 13.379 4.148 ( -3.501 -2.277 -1.890) 4.584 4.423 ( 6.535 0.077 2.770) 7.098 4.519 ( -0.126 -0.036 0.829) 0.839 4.559 ( -2.295 -0.073 -4.972) 5.477 4.838 ( -4.539 -3.086 -7.781) 9.522 4.847 ( 1.637 -5.676 -0.094) 5.908 4.955 ( -4.549 -6.307 0.062) 7.776 5.164 ( -2.055 0.615 -6.167) 6.530 5.265 ( 0.063 -0.940 5.565) 5.644 5.337 ( -5.863 1.978 -3.330) 7.027 5.496 ( -2.404 3.905 -1.695) 4.889 5.742 ( 0.942 -1.897 3.658) 4.227 5.856 ( 3.445 3.192 3.057) 5.604 5.992 ( -1.009 1.958 1.988) 2.967 6.142 ( -1.894 -1.455 -4.725) 5.294 6.267 ( -1.121 0.589 3.577) 3.794 6.623 ( -0.807 -1.646 6.511) 6.764 6.910 ( 3.107 -1.212 -9.633) 10.194 7.174 ( -3.065 -3.936 -4.677) 6.838 7.535 ( 3.104 0.361 2.785) 4.185 7.599 ( 5.410 2.288 0.586) 5.903 7.716 ( -3.877 3.984 1.117) 5.670 7.846 ( 1.354 -7.264 9.311) 11.887 8.092 ( 3.681 4.978 -1.385) 6.344 8.179 ( -0.049 -1.179 -0.032) 1.181 8.277 ( 0.510 1.976 2.050) 2.893 8.393 ( -0.306 3.681 -0.194) 3.699 8.618 ( 5.149 0.912 0.712) 5.278 8.962 ( -5.884 -8.312 7.907) 12.893 9.454 ( 1.182 -1.396 -2.775) 3.324 9.548 ( -2.143 -2.629 -1.775) 3.828 9.859 ( 2.799 -5.976 9.970) 11.956 10.301 ( -1.925 -3.056 -2.954) 4.666 10.401 ( 1.470 -5.500 0.953) 5.772 10.796 ( -1.184 10.192 -2.964) 10.680 11.456 ( 3.117 11.878 -2.285) 12.491 12.442 ( 0.993 5.269 2.178) 5.787 12.889 ( 0.100 2.668 -0.329) 2.690 12.914 ( 1.446 0.542 -0.996) 1.838 13.710 ( 4.277 4.685 -0.824) 6.397 13.816 ( -11.475 1.642 1.227) 11.657 14.081 ( 4.506 -4.601 -0.273) 6.446 14.607 ( -4.721 -3.803 -2.113) 6.420 15.309 ( 3.787 -7.424 7.302) 11.080 16.296 ( 0.105 -1.723 -1.825) 2.512 16.534 ( -10.978 4.344 -17.141) 20.813 17.259 ( 15.401 -8.926 14.177) 22.757 ======================= Grid point 116 (42/172) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 15.986 -0.000 15.378) 22.182 0.810 ( 16.016 -0.000 20.770) 26.228 1.393 ( 30.723 -0.000 34.580) 46.257 1.460 ( 0.145 -0.000 -4.033) 4.035 1.934 ( -0.537 0.000 -6.164) 6.187 2.032 ( -0.678 0.000 -6.567) 6.602 2.404 ( -5.862 0.000 -19.722) 20.575 2.882 ( 0.339 -0.000 -1.890) 1.921 2.900 ( -10.011 0.000 3.340) 10.553 3.055 ( 0.523 -0.000 1.944) 2.013 3.241 ( 0.478 -0.000 -6.916) 6.932 3.501 ( -4.419 0.000 8.517) 9.596 3.725 ( 9.070 -0.000 7.530) 11.789 3.979 ( -11.011 0.000 -2.189) 11.226 4.352 ( -8.898 0.000 -12.302) 15.183 4.505 ( -2.051 0.000 1.022) 2.291 4.595 ( 4.726 -0.000 1.207) 4.878 4.793 ( 1.772 -0.000 2.725) 3.250 4.950 ( 5.251 -0.000 -2.788) 5.945 4.987 ( 2.493 -0.000 -3.092) 3.972 5.107 ( 2.275 -0.000 -14.347) 14.527 5.168 ( -3.389 0.000 0.067) 3.390 5.233 ( -2.120 0.000 8.544) 8.803 5.478 ( -0.106 0.000 -0.909) 0.915 5.803 ( 3.351 -0.000 4.555) 5.655 5.889 ( 0.914 -0.000 -3.143) 3.273 6.057 ( 0.155 -0.000 -0.769) 0.785 6.070 ( -6.714 0.000 -5.266) 8.533 6.496 ( 11.131 -0.000 -3.828) 11.771 6.654 ( -0.679 0.000 0.473) 0.828 6.767 ( -7.100 0.000 7.384) 10.243 7.233 ( -1.329 0.000 -4.795) 4.976 7.437 ( -1.999 0.000 -5.221) 5.591 7.659 ( -2.982 0.000 7.621) 8.184 7.719 ( 3.683 -0.000 2.034) 4.207 7.948 ( 3.988 -0.000 2.052) 4.485 8.120 ( -3.328 0.000 -1.466) 3.636 8.157 ( -9.479 0.000 3.334) 10.048 8.308 ( -3.227 0.000 1.132) 3.420 8.353 ( -5.674 0.000 11.948) 13.227 8.376 ( 2.023 -0.000 0.366) 2.055 9.066 ( 0.966 -0.000 -12.743) 12.779 9.439 ( -1.489 0.000 -1.626) 2.205 9.782 ( 8.297 -0.000 1.152) 8.376 10.107 ( -1.055 0.000 0.834) 1.345 10.302 ( -0.996 0.000 -1.636) 1.915 10.506 ( 2.373 -0.000 0.966) 2.562 10.638 ( 1.951 -0.000 0.083) 1.953 11.387 ( 3.916 -0.000 -2.659) 4.734 12.367 ( -3.949 0.000 4.365) 5.886 12.781 ( -5.113 0.000 -1.545) 5.341 13.069 ( 2.166 -0.000 -5.309) 5.734 13.545 ( -5.220 0.000 0.848) 5.289 13.931 ( -21.902 0.000 11.770) 24.864 13.940 ( 13.516 -0.000 -1.397) 13.588 14.280 ( 9.642 -0.000 1.719) 9.794 15.460 ( -1.138 0.000 11.981) 12.035 16.262 ( 3.607 -0.000 -7.598) 8.410 16.482 ( 5.731 -0.000 -1.119) 5.839 17.663 ( -5.337 0.000 -1.685) 5.596 ======================= Grid point 117 (43/172) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 16.496 -7.511 14.403) 23.151 1.052 ( 12.464 -14.664 13.636) 23.586 1.609 ( -0.079 -15.947 -5.024) 16.720 1.817 ( 23.513 -14.920 14.565) 31.426 2.155 ( 3.665 -18.100 -3.602) 18.815 2.225 ( -0.383 -21.857 -1.230) 21.895 2.368 ( -2.048 -3.080 -18.366) 18.734 2.746 ( -3.745 5.757 2.189) 7.208 2.977 ( -1.945 -8.128 -0.756) 8.392 3.074 ( 1.570 -0.228 2.463) 2.930 3.327 ( -1.096 -9.825 -7.743) 12.557 3.557 ( -4.633 -8.252 8.939) 13.017 3.798 ( 6.776 -0.069 7.723) 10.274 3.853 ( -10.749 1.788 -2.396) 11.157 4.265 ( -9.312 -0.556 -13.020) 16.017 4.489 ( -3.203 -0.246 1.826) 3.695 4.602 ( 2.080 2.914 -0.863) 3.683 4.792 ( 1.672 2.044 2.915) 3.933 4.910 ( 2.069 6.340 -1.160) 6.769 4.999 ( -0.462 1.001 -1.847) 2.151 5.090 ( 6.024 3.088 -10.002) 12.077 5.138 ( -3.083 0.204 -1.257) 3.335 5.309 ( 0.964 -6.548 5.947) 8.898 5.476 ( -3.133 -2.025 -2.202) 4.332 5.866 ( 3.505 -1.757 2.548) 4.676 5.912 ( -3.626 -2.549 -4.125) 6.054 6.018 ( -1.709 -0.462 -3.884) 4.268 6.083 ( 1.592 -2.448 1.288) 3.192 6.356 ( 1.962 12.835 -0.138) 12.985 6.626 ( -0.949 -0.167 7.991) 8.049 6.877 ( -4.646 -6.814 -4.254) 9.279 7.095 ( -0.233 9.683 -5.164) 10.976 7.479 ( -4.149 -3.946 -1.495) 5.918 7.632 ( -4.436 -1.112 3.869) 5.990 7.751 ( -4.729 14.453 8.435) 17.389 7.804 ( 2.786 -4.133 0.951) 5.074 8.098 ( -1.907 -3.703 -0.710) 4.225 8.207 ( -1.235 -3.329 3.879) 5.259 8.280 ( -4.087 -2.232 1.391) 4.860 8.405 ( 1.372 -3.456 4.277) 5.667 8.439 ( 1.790 -4.760 -0.447) 5.105 9.054 ( 1.156 0.352 -10.542) 10.611 9.404 ( -2.034 1.880 -0.977) 2.937 9.776 ( 7.510 8.049 3.817) 11.651 9.981 ( 0.486 8.971 5.842) 10.716 10.238 ( -0.396 3.995 -1.163) 4.180 10.445 ( 1.526 6.071 0.366) 6.270 10.785 ( 2.125 -10.104 -1.856) 10.490 11.538 ( 2.437 -11.439 -0.776) 11.722 12.374 ( -5.434 -4.589 3.199) 7.799 12.783 ( -6.572 -5.043 -2.476) 8.646 12.961 ( 1.099 6.307 -1.613) 6.602 13.622 ( -0.254 -3.133 -1.982) 3.716 13.822 ( -6.740 -5.232 2.688) 8.946 14.134 ( 6.360 -2.824 1.346) 7.088 14.390 ( 11.249 -3.110 -3.378) 12.150 15.393 ( -2.538 6.936 14.936) 16.663 16.282 ( 1.737 0.195 -5.776) 6.034 16.483 ( 3.709 4.233 -5.046) 7.558 17.480 ( -4.067 11.422 3.104) 12.515 ======================= Grid point 118 (44/172) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 13.478 -11.529 13.104) 22.051 1.379 ( 10.090 -9.082 5.174) 14.528 1.941 ( 5.459 -16.151 -0.994) 17.077 2.192 ( 3.610 -7.676 -12.132) 14.804 2.510 ( -0.184 -18.262 -5.201) 18.990 2.535 ( 0.650 -11.755 -5.666) 13.066 2.682 ( 9.604 -11.937 7.967) 17.268 2.745 ( 0.681 -23.438 0.104) 23.449 3.054 ( -2.630 -1.160 0.650) 2.947 3.146 ( 1.933 -6.520 -0.245) 6.805 3.504 ( -1.341 -9.366 -8.797) 12.919 3.692 ( -2.639 -8.473 10.424) 13.690 3.759 ( -6.457 -1.684 -5.527) 8.665 3.919 ( 2.013 -8.439 9.810) 13.096 4.183 ( -8.766 -0.761 -11.474) 14.459 4.445 ( -5.452 1.700 1.082) 5.812 4.556 ( -0.183 1.316 1.456) 1.971 4.759 ( -1.604 2.818 4.145) 5.263 4.784 ( -0.270 5.842 -3.611) 6.873 4.967 ( 1.164 3.234 0.861) 3.544 5.074 ( 4.999 2.969 -6.305) 8.576 5.101 ( -2.107 0.575 0.486) 2.238 5.407 ( -1.363 -2.085 -4.641) 5.268 5.555 ( 1.043 -8.857 4.525) 10.001 5.895 ( -5.006 -1.369 1.152) 5.316 5.920 ( 0.735 -0.855 1.503) 1.879 6.014 ( 5.849 3.709 -5.585) 8.897 6.159 ( 1.280 -1.927 1.246) 2.628 6.221 ( -0.668 -0.020 -0.036) 0.669 6.640 ( -1.666 -1.866 6.045) 6.542 6.872 ( -1.301 4.554 -6.336) 7.911 6.928 ( -1.891 4.647 -2.813) 5.752 7.420 ( -6.239 9.880 1.051) 11.732 7.471 ( -3.261 7.143 8.064) 11.255 7.671 ( -5.135 -6.421 0.428) 8.233 7.955 ( 3.686 -6.949 -0.257) 7.870 8.116 ( -2.844 -1.607 1.225) 3.488 8.233 ( 0.969 2.256 1.469) 2.861 8.316 ( -1.476 -5.329 -0.297) 5.537 8.499 ( 1.141 -4.636 3.011) 5.645 8.582 ( 2.541 -8.972 -0.241) 9.328 9.059 ( 0.872 -1.163 -7.849) 7.983 9.338 ( -2.310 3.079 0.155) 3.852 9.648 ( 5.626 11.921 5.343) 14.223 9.858 ( 0.728 6.452 4.250) 7.760 10.141 ( -0.471 6.545 -0.082) 6.563 10.340 ( 0.717 6.113 -0.809) 6.208 11.027 ( 3.377 -14.202 -1.300) 14.655 11.798 ( 0.485 -15.196 1.502) 15.278 12.443 ( -6.306 -8.196 2.184) 10.570 12.779 ( -2.997 1.008 -2.310) 3.916 12.965 ( -3.375 -7.861 -2.380) 8.879 13.573 ( 2.472 6.632 -3.127) 7.738 13.962 ( -4.830 -11.196 -0.359) 12.198 14.147 ( 9.165 7.199 1.259) 11.722 14.534 ( 13.440 -0.180 -4.644) 14.221 15.213 ( -1.860 12.090 17.624) 21.454 16.266 ( 0.978 2.372 -3.370) 4.236 16.391 ( -1.200 5.597 -9.742) 11.299 17.257 ( -3.183 9.509 4.138) 10.848 ======================= Grid point 119 (45/172) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 7.260 -5.939 -0.191) 9.382 1.660 ( 10.800 -10.060 11.194) 18.524 2.223 ( -1.271 -9.472 -0.579) 9.574 2.295 ( 8.828 -5.301 -13.719) 17.154 2.538 ( 0.789 2.136 0.540) 2.340 2.763 ( -0.912 -6.314 -3.733) 7.391 3.010 ( -2.462 -7.117 -1.095) 7.610 3.067 ( -2.261 -7.510 3.039) 8.411 3.229 ( 5.128 -19.714 -5.975) 21.229 3.335 ( 2.092 -13.324 -1.148) 13.536 3.551 ( -4.414 -2.197 -9.216) 10.452 3.818 ( 0.871 -6.939 -4.865) 8.520 3.870 ( 0.042 -10.951 8.429) 13.820 4.103 ( -0.236 -4.576 3.329) 5.664 4.159 ( -4.443 -8.070 1.252) 9.297 4.372 ( -5.100 -0.323 3.223) 6.042 4.571 ( -0.818 -2.707 2.496) 3.772 4.659 ( -4.817 1.629 0.970) 5.177 4.753 ( 1.544 0.503 1.786) 2.414 4.900 ( -1.293 3.283 -4.760) 5.925 5.063 ( 2.044 1.184 2.330) 3.318 5.093 ( 0.491 0.005 -0.684) 0.842 5.389 ( -3.848 0.031 -7.447) 8.382 5.746 ( 4.742 -6.580 8.091) 11.457 5.858 ( -3.631 1.825 3.062) 5.089 5.888 ( 0.206 4.213 -0.344) 4.232 6.017 ( 4.784 -0.587 -2.855) 5.602 6.240 ( -0.940 -8.083 -3.748) 8.959 6.260 ( 2.157 -1.215 2.309) 3.386 6.630 ( -3.609 4.177 -3.665) 6.626 6.767 ( 3.106 1.405 -0.930) 3.533 6.902 ( -0.997 -1.327 -1.238) 2.071 7.148 ( -3.776 13.218 2.502) 13.972 7.352 ( -4.719 4.432 4.828) 8.076 7.724 ( -4.007 -2.744 2.334) 5.389 8.063 ( 3.934 3.691 -1.563) 5.617 8.086 ( -1.353 -1.343 0.628) 2.007 8.264 ( -3.595 -7.293 3.603) 8.894 8.405 ( 0.488 -5.103 -2.684) 5.787 8.587 ( 1.019 -3.539 0.398) 3.704 8.790 ( 3.674 -10.333 -0.008) 10.967 9.096 ( 0.468 -3.095 -6.102) 6.858 9.260 ( -1.919 3.394 0.683) 3.958 9.480 ( 3.065 10.786 4.763) 12.183 9.751 ( 0.245 6.275 3.734) 7.306 9.992 ( -0.529 9.189 1.500) 9.326 10.242 ( -0.196 4.701 -1.850) 5.056 11.344 ( 4.070 -16.619 -0.735) 17.126 12.074 ( -1.338 -14.116 3.078) 14.510 12.562 ( -6.669 -10.600 0.768) 12.547 12.731 ( 0.365 2.248 -1.092) 2.526 13.119 ( -8.116 -13.965 -3.869) 16.610 13.472 ( 3.522 5.774 -5.165) 8.510 13.990 ( 5.913 10.064 4.954) 12.680 14.114 ( -2.950 -0.568 -5.947) 6.663 14.626 ( 18.792 3.946 0.281) 19.204 14.981 ( 1.403 15.283 17.316) 23.138 16.198 ( -0.949 4.750 -3.735) 6.117 16.281 ( -5.019 0.762 -11.277) 12.367 17.097 ( -2.857 5.828 4.154) 7.706 ======================= Grid point 120 (46/172) ======================= q-point: ( 0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 7.352 -0.752 -7.213) 10.327 1.868 ( 4.234 -3.884 13.687) 14.844 2.278 ( -0.426 0.294 -10.162) 10.176 2.466 ( 0.597 -5.858 -8.073) 9.992 2.529 ( 2.821 0.304 5.038) 5.782 2.769 ( -3.207 -0.662 -3.537) 4.821 3.063 ( 4.337 -0.444 0.683) 4.413 3.135 ( -5.839 -2.189 2.118) 6.586 3.352 ( 1.209 1.367 -8.853) 9.039 3.528 ( -0.832 -5.793 -10.374) 11.911 3.691 ( -1.157 -11.778 -4.195) 12.556 3.917 ( 2.993 -1.908 -3.095) 4.710 4.072 ( -1.557 -6.360 -0.229) 6.552 4.187 ( 0.250 -9.805 1.384) 9.906 4.316 ( 3.891 -5.928 12.594) 14.453 4.405 ( -4.510 -6.631 4.474) 9.182 4.618 ( -1.694 -2.606 0.451) 3.141 4.664 ( -2.138 -4.838 4.633) 7.031 4.764 ( 1.078 1.091 -3.054) 3.417 4.842 ( -0.833 0.571 0.848) 1.319 5.055 ( -0.910 0.776 2.051) 2.374 5.105 ( 0.718 -0.811 2.261) 2.507 5.337 ( -4.763 0.417 -5.424) 7.230 5.778 ( -5.344 2.028 2.411) 6.204 5.812 ( -0.610 3.746 -1.067) 3.942 5.869 ( 7.857 0.249 6.902) 10.461 6.084 ( 3.142 -2.348 -2.591) 4.701 6.267 ( -0.768 0.422 3.481) 3.589 6.427 ( 1.235 -7.040 -10.984) 13.104 6.504 ( 0.011 1.226 -0.167) 1.237 6.809 ( 2.577 -0.661 -0.640) 2.736 6.902 ( -1.818 9.312 3.154) 9.998 6.934 ( -1.157 -1.627 -2.024) 2.843 7.258 ( -2.435 2.214 4.243) 5.370 7.714 ( -1.848 0.762 4.162) 4.617 7.938 ( -0.245 6.710 -0.295) 6.721 8.168 ( -1.782 -4.917 1.685) 5.495 8.335 ( -2.065 -2.286 1.240) 3.320 8.526 ( 1.954 -6.970 -4.182) 8.361 8.629 ( -0.122 -0.277 -1.319) 1.353 8.997 ( 2.757 -8.579 -0.183) 9.013 9.155 ( 1.104 -2.505 -5.071) 5.763 9.184 ( -1.510 3.186 0.305) 3.539 9.339 ( 1.515 6.998 4.785) 8.612 9.655 ( -0.691 3.897 4.639) 6.098 9.825 ( -0.528 7.911 2.313) 8.259 10.166 ( -0.422 2.814 -2.505) 3.791 11.664 ( 3.377 -13.668 -1.050) 14.118 12.242 ( -1.278 -4.374 5.208) 6.920 12.652 ( -3.345 -1.082 -1.858) 3.976 12.763 ( -1.488 -8.989 0.109) 9.112 13.294 ( -8.985 -13.032 -6.119) 16.971 13.455 ( 0.834 -3.164 -6.066) 6.892 13.825 ( 3.860 11.052 2.944) 12.071 14.016 ( -1.787 7.344 1.176) 7.650 14.671 ( 24.237 23.358 0.691) 33.668 14.756 ( -3.345 0.345 14.759) 15.137 16.118 ( -3.563 0.180 -6.073) 7.043 16.256 ( -2.656 -2.803 -9.567) 10.317 17.002 ( -2.193 2.902 4.401) 5.710 ======================= Grid point 121 (47/172) ======================= q-point: (-0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 5.170 5.811 -7.595) 10.871 1.915 ( 2.152 3.473 14.983) 15.530 2.168 ( -5.461 7.236 -15.685) 18.116 2.489 ( -2.315 -0.203 -3.139) 3.906 2.547 ( 0.908 0.332 3.298) 3.437 2.789 ( -3.684 -3.340 -2.385) 5.515 3.072 ( -0.460 1.682 -5.447) 5.719 3.127 ( 5.151 -0.638 3.804) 6.435 3.415 ( 3.319 -5.863 -5.914) 8.965 3.548 ( 1.351 1.049 -8.988) 9.149 3.753 ( -2.641 2.853 -1.989) 4.367 3.947 ( 3.164 1.490 1.238) 3.709 4.098 ( -2.174 0.763 -9.937) 10.201 4.305 ( 1.223 1.043 4.443) 4.725 4.439 ( 3.304 -3.431 10.331) 11.376 4.559 ( -0.303 -7.650 2.404) 8.025 4.613 ( -3.071 -0.684 1.080) 3.326 4.675 ( 4.339 3.563 1.324) 5.769 4.784 ( -5.366 -4.678 -1.726) 7.325 4.864 ( 0.877 -2.363 4.870) 5.484 5.021 ( -4.168 1.578 2.927) 5.332 5.152 ( 2.752 -2.307 4.564) 5.807 5.288 ( -4.026 0.327 -3.556) 5.382 5.697 ( -5.995 1.257 2.650) 6.674 5.741 ( -1.567 2.823 -2.105) 3.854 5.924 ( 6.411 0.633 4.226) 7.705 6.101 ( 1.936 3.219 -5.406) 6.583 6.261 ( -0.426 -0.735 1.897) 2.078 6.387 ( -1.466 2.185 -6.284) 6.812 6.602 ( 1.144 0.454 -0.646) 1.390 6.821 ( 2.548 1.695 -1.103) 3.253 6.851 ( 0.750 -7.517 3.316) 8.250 6.949 ( -0.902 -1.346 -2.073) 2.632 7.256 ( 1.382 -1.478 4.652) 5.073 7.692 ( 0.138 0.805 2.399) 2.535 7.870 ( -2.042 -1.071 1.926) 3.004 8.207 ( -5.504 -2.179 4.583) 7.486 8.332 ( 3.559 3.068 -3.901) 6.108 8.581 ( -0.788 4.320 -1.231) 4.561 8.646 ( 0.837 -4.033 -2.804) 4.983 9.066 ( -0.758 4.103 -1.461) 4.421 9.116 ( 0.391 2.587 -1.542) 3.037 9.223 ( 0.700 -3.754 -1.392) 4.064 9.271 ( 0.736 0.835 3.450) 3.625 9.621 ( -1.053 0.453 6.583) 6.682 9.753 ( -0.068 -1.403 1.723) 2.223 10.137 ( 0.329 -0.223 -3.212) 3.237 11.804 ( -0.103 2.275 -2.524) 3.400 12.268 ( 4.148 1.741 6.375) 7.803 12.614 ( -2.515 0.292 -1.204) 2.804 12.925 ( -2.057 -7.825 0.450) 8.104 13.379 ( -1.811 -1.835 -9.651) 9.990 13.528 ( -9.093 -6.741 -3.442) 11.831 13.742 ( -1.933 -0.647 2.811) 3.472 13.950 ( 1.162 -5.173 3.889) 6.575 14.318 ( 9.778 26.913 3.854) 28.892 14.794 ( 4.667 1.816 9.065) 10.356 16.114 ( -0.887 -1.822 -5.125) 5.512 16.324 ( 0.420 -6.969 -10.932) 12.971 16.959 ( -1.342 0.723 5.043) 5.268 ======================= Grid point 122 (48/172) ======================= q-point: (-0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.084 12.527 1.773) 12.652 1.775 ( 0.917 16.165 4.904) 16.917 1.950 ( -6.715 6.449 -9.811) 13.526 2.475 ( -0.629 -0.603 -0.281) 0.915 2.579 ( 3.738 -1.482 1.176) 4.189 2.779 ( -5.242 -0.586 -4.972) 7.249 3.064 ( -0.409 -1.309 -8.705) 8.812 3.197 ( 7.280 0.314 3.115) 7.924 3.409 ( -0.740 9.946 -4.912) 11.118 3.548 ( 4.650 7.847 -2.188) 9.380 3.643 ( 2.614 3.078 -4.356) 5.940 3.857 ( 0.372 19.254 -2.615) 19.434 3.963 ( -3.144 -0.411 3.891) 5.019 4.261 ( -0.262 1.829 -2.564) 3.161 4.490 ( 0.918 2.750 6.182) 6.829 4.541 ( 1.043 1.938 -1.301) 2.557 4.641 ( 4.937 0.060 7.533) 9.007 4.747 ( -5.293 -1.229 -1.226) 5.570 4.823 ( 1.099 -6.874 -0.462) 6.977 4.885 ( -4.459 5.286 5.049) 8.562 4.965 ( -0.910 -3.801 -0.279) 3.918 5.170 ( 0.529 3.839 -0.248) 3.883 5.289 ( -0.419 -3.919 2.190) 4.509 5.648 ( -1.349 1.924 -3.719) 4.399 5.695 ( -7.003 -3.361 5.226) 9.362 5.970 ( 4.657 -0.066 0.352) 4.670 6.018 ( 1.104 6.038 -7.149) 9.422 6.262 ( 1.571 2.014 0.859) 2.695 6.311 ( -3.915 3.096 0.233) 4.997 6.622 ( 1.504 -3.726 -3.665) 5.439 6.764 ( -0.777 3.931 2.355) 4.648 6.978 ( -1.147 -3.275 -4.543) 5.717 7.092 ( 4.812 -12.105 4.108) 13.658 7.317 ( 2.486 -2.378 5.577) 6.553 7.713 ( 0.178 -2.930 1.386) 3.246 7.939 ( -0.645 -6.453 2.042) 6.799 8.164 ( -7.502 1.137 5.120) 9.154 8.274 ( 6.549 7.261 -6.070) 11.509 8.468 ( -0.726 6.437 -0.523) 6.499 8.679 ( -0.347 0.449 0.920) 1.081 8.918 ( 0.251 10.777 -2.026) 10.969 9.043 ( -0.257 3.889 0.373) 3.915 9.288 ( 0.173 -3.399 -4.139) 5.358 9.325 ( -0.947 -4.712 3.535) 5.966 9.632 ( -0.430 -1.889 6.977) 7.241 9.857 ( -0.514 -8.628 0.345) 8.650 10.172 ( 1.321 -2.933 -3.266) 4.584 11.607 ( -1.654 15.283 -2.388) 15.556 12.209 ( 5.674 11.360 3.410) 13.148 12.652 ( -1.757 -5.847 0.574) 6.132 12.933 ( 0.023 6.421 2.269) 6.811 13.414 ( 1.797 -4.361 -7.285) 8.679 13.525 ( -8.759 -3.515 1.403) 9.542 13.759 ( -5.621 -0.163 0.874) 5.691 13.953 ( -1.118 11.410 1.028) 11.510 14.214 ( 2.903 -16.186 -2.747) 16.672 14.793 ( 3.901 2.502 12.879) 13.688 16.143 ( 0.186 -2.264 -4.342) 4.900 16.464 ( 2.645 -7.299 -13.501) 15.574 16.965 ( 0.231 -1.260 6.463) 6.589 ======================= Grid point 123 (49/172) ======================= q-point: (-0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -3.712 17.670 8.998) 20.173 1.417 ( -2.474 20.266 3.214) 20.668 1.789 ( 2.125 9.580 -3.576) 10.444 2.511 ( 0.170 -3.566 -0.748) 3.648 2.635 ( 5.100 1.350 -1.318) 5.438 2.701 ( -7.623 2.690 -8.889) 12.015 3.022 ( 2.114 30.806 1.561) 30.917 3.060 ( -0.167 5.220 -6.934) 8.680 3.157 ( 1.869 14.097 -5.127) 15.116 3.380 ( 5.573 6.795 4.872) 10.048 3.408 ( -0.204 14.297 -3.456) 14.710 3.699 ( 4.309 5.046 -1.062) 6.720 3.989 ( -2.746 -1.520 6.957) 7.632 4.202 ( -2.832 4.830 -2.493) 6.129 4.435 ( 2.488 1.742 -4.804) 5.684 4.532 ( 1.279 1.480 3.554) 4.056 4.634 ( -3.764 3.942 3.752) 6.617 4.716 ( -0.677 1.715 2.589) 3.179 4.761 ( -1.014 -0.853 -4.261) 4.462 4.893 ( -2.385 0.625 2.680) 3.642 5.063 ( -1.051 -6.359 1.365) 6.588 5.138 ( 1.048 -1.669 -1.787) 2.660 5.358 ( 0.550 -2.043 -1.490) 2.587 5.592 ( -0.779 1.711 -1.276) 2.272 5.749 ( -3.426 -5.374 7.740) 10.026 5.887 ( 0.955 7.521 -8.738) 11.569 6.011 ( 4.139 -0.281 -0.414) 4.170 6.222 ( -1.029 2.813 -0.000) 2.995 6.241 ( -2.576 1.066 4.795) 5.546 6.689 ( -0.320 3.976 4.095) 5.717 6.728 ( 1.104 -6.369 -7.971) 10.263 7.028 ( -2.601 -4.387 -4.377) 6.721 7.352 ( 2.195 -12.156 6.181) 13.813 7.398 ( 3.480 -3.224 5.029) 6.913 7.780 ( 1.007 -2.207 1.950) 3.112 8.010 ( 0.484 4.288 -0.135) 4.318 8.086 ( -5.704 -2.413 3.012) 6.887 8.212 ( 4.593 2.083 -3.754) 6.287 8.353 ( 0.642 6.062 0.115) 6.097 8.637 ( -1.343 3.422 3.521) 5.091 8.718 ( -0.122 10.027 -1.875) 10.202 8.973 ( 1.280 4.374 3.311) 5.633 9.356 ( 0.913 -4.096 -5.151) 6.644 9.399 ( -2.822 -4.650 2.319) 5.913 9.692 ( 0.250 -3.800 6.426) 7.469 10.025 ( -0.813 -10.113 -1.328) 10.232 10.243 ( 1.332 -3.566 -2.151) 4.373 11.290 ( -1.114 16.799 -2.698) 17.051 11.997 ( 4.356 15.980 2.809) 16.799 12.714 ( 0.364 2.867 -1.869) 3.442 12.792 ( -1.877 2.816 3.478) 4.853 13.344 ( 0.364 14.455 -1.883) 14.582 13.567 ( -4.466 -6.028 3.686) 8.359 13.734 ( 1.642 -7.681 -2.114) 8.134 13.929 ( -7.728 -5.251 0.429) 9.352 14.447 ( -0.376 -6.426 -7.889) 10.182 14.886 ( 3.626 -9.325 15.918) 18.802 16.190 ( 0.464 -2.996 -3.347) 4.516 16.564 ( -0.008 -3.341 -17.066) 17.390 17.033 ( 3.464 -3.956 8.650) 10.123 ======================= Grid point 124 (50/172) ======================= q-point: (-0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.883 19.554 10.739) 22.327 1.066 ( 1.345 17.998 14.990) 23.461 1.608 ( 7.404 15.269 3.231) 17.274 2.269 ( -0.726 40.635 -0.189) 40.642 2.475 ( -1.117 15.301 -7.218) 16.955 2.590 ( -1.674 -0.500 -3.627) 4.026 2.655 ( -2.276 3.181 -7.630) 8.574 2.771 ( 0.904 17.438 -1.838) 17.558 3.047 ( -0.343 1.705 -5.296) 5.574 3.179 ( -0.511 10.004 -1.719) 10.164 3.405 ( 8.811 3.282 2.950) 9.855 3.616 ( 3.486 5.986 0.392) 6.938 3.893 ( -4.292 11.090 9.989) 15.530 4.074 ( -5.762 1.055 -4.109) 7.155 4.473 ( 4.682 -1.428 -2.932) 5.706 4.507 ( -2.091 1.391 -4.437) 5.098 4.543 ( -3.340 1.158 5.379) 6.436 4.731 ( -2.460 -4.240 -4.354) 6.556 4.807 ( 4.217 -1.602 -0.121) 4.513 4.859 ( -3.229 -1.643 1.975) 4.127 5.128 ( -3.020 -1.948 -4.059) 5.421 5.202 ( -2.781 -4.597 3.036) 6.171 5.346 ( 0.401 2.831 -4.435) 5.276 5.565 ( 0.687 2.974 0.872) 3.174 5.775 ( 3.904 2.886 2.865) 5.638 5.858 ( 2.156 -4.772 0.638) 5.275 6.043 ( 3.045 0.504 0.394) 3.111 6.136 ( -4.490 4.013 -0.370) 6.033 6.238 ( -1.370 -1.567 3.370) 3.961 6.634 ( -0.237 2.123 5.889) 6.264 6.849 ( 2.933 -6.492 -10.322) 12.541 7.072 ( -4.091 -3.705 -4.871) 7.361 7.494 ( 1.580 -4.309 6.989) 8.361 7.581 ( -1.072 -10.927 3.793) 11.616 7.773 ( 4.353 5.332 1.370) 7.018 7.863 ( -4.072 6.779 3.030) 8.469 8.131 ( 2.915 -3.021 -1.898) 4.607 8.238 ( -1.032 3.370 -4.653) 5.838 8.263 ( 0.578 0.824 4.443) 4.556 8.519 ( 1.556 8.555 1.214) 8.780 8.605 ( -4.666 1.071 1.722) 5.088 8.939 ( 4.516 1.611 6.181) 7.823 9.422 ( -0.549 -2.300 -0.760) 2.483 9.465 ( 0.070 -5.282 -1.996) 5.648 9.787 ( 1.430 -5.069 6.898) 8.679 10.185 ( -1.396 -7.823 -2.955) 8.479 10.320 ( 1.104 -4.305 -0.315) 4.455 11.000 ( -0.352 13.661 -3.565) 14.123 11.739 ( 3.078 15.696 1.749) 16.090 12.568 ( -0.832 8.282 1.408) 8.441 12.827 ( -0.999 -4.143 -0.913) 4.359 13.074 ( -1.286 12.621 -1.372) 12.761 13.648 ( -5.881 -6.691 4.176) 9.838 13.859 ( 3.698 3.085 -2.294) 5.335 13.990 ( 1.887 -8.309 2.244) 8.811 14.481 ( -6.013 -2.649 -6.097) 8.964 15.157 ( 2.777 -13.022 11.160) 17.373 16.250 ( 0.609 -3.248 -2.007) 3.866 16.532 ( -3.932 2.541 -18.185) 18.778 17.197 ( 6.605 -8.529 9.853) 14.610 ======================= Grid point 127 (51/172) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 14.400 -0.000 10.894) 18.056 1.138 ( 17.880 -0.000 12.896) 22.045 1.434 ( -0.742 0.000 -5.845) 5.892 1.940 ( 1.549 -0.000 -6.845) 7.018 2.016 ( 0.962 -0.000 -3.358) 3.493 2.020 ( 31.544 -0.000 22.079) 38.503 2.334 ( 2.961 -0.000 -16.882) 17.139 2.791 ( -3.244 0.000 2.439) 4.059 2.852 ( -3.644 0.000 -0.481) 3.675 3.075 ( -1.164 0.000 3.445) 3.637 3.206 ( -0.319 0.000 -8.148) 8.154 3.458 ( -2.060 0.000 6.171) 6.506 3.771 ( -11.223 0.000 1.559) 11.331 3.863 ( 3.617 -0.000 6.695) 7.609 4.166 ( -8.918 0.000 -12.888) 15.673 4.455 ( -4.164 0.000 1.016) 4.287 4.657 ( 2.206 -0.000 -3.475) 4.116 4.830 ( 0.779 -0.000 4.075) 4.149 4.999 ( -0.590 0.000 -2.554) 2.621 5.022 ( 4.163 -0.000 -2.591) 4.904 5.094 ( -4.357 0.000 -2.226) 4.893 5.142 ( 3.613 -0.000 -12.157) 12.682 5.234 ( -0.348 0.000 9.040) 9.046 5.453 ( -1.763 0.000 -1.302) 2.191 5.863 ( 1.004 -0.000 2.652) 2.836 5.869 ( -0.835 0.000 -7.813) 7.858 5.967 ( -2.578 0.000 -1.157) 2.825 6.074 ( 1.397 -0.000 1.209) 1.847 6.581 ( -0.183 0.000 -6.679) 6.682 6.642 ( -0.729 0.000 0.075) 0.733 6.652 ( -7.370 0.000 10.857) 13.122 7.188 ( -2.648 0.000 -4.330) 5.076 7.372 ( -4.217 0.000 -2.868) 5.100 7.587 ( -6.779 0.000 6.685) 9.521 7.784 ( 3.761 -0.000 -0.656) 3.818 7.972 ( -10.116 0.000 7.058) 12.335 8.030 ( 3.155 -0.000 0.606) 3.212 8.070 ( -0.942 0.000 0.612) 1.123 8.189 ( -5.227 0.000 8.649) 10.106 8.410 ( 2.023 -0.000 -0.594) 2.109 8.437 ( 4.731 -0.000 -0.803) 4.799 9.049 ( 0.570 -0.000 -11.823) 11.836 9.404 ( -1.964 0.000 -1.324) 2.369 9.897 ( 4.623 -0.000 3.887) 6.040 10.068 ( -3.277 0.000 2.172) 3.931 10.290 ( 0.060 -0.000 -0.196) 0.205 10.546 ( 1.997 -0.000 0.482) 2.054 10.700 ( 5.193 -0.000 -0.681) 5.237 11.454 ( 4.062 -0.000 -1.566) 4.354 12.284 ( -6.219 0.000 3.172) 6.981 12.669 ( -7.163 0.000 -1.554) 7.329 13.046 ( -2.481 0.000 -2.220) 3.329 13.503 ( -0.398 0.000 2.901) 2.929 13.775 ( -1.266 0.000 1.408) 1.893 14.167 ( 12.874 -0.000 -2.482) 13.111 14.468 ( 10.651 -0.000 -1.879) 10.816 15.444 ( -3.852 0.000 17.415) 17.836 16.300 ( 2.592 -0.000 -5.332) 5.928 16.565 ( 4.285 -0.000 -3.155) 5.321 17.548 ( -6.454 0.000 0.380) 6.465 ======================= Grid point 128 (52/172) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 7.799 -12.680 6.227) 16.136 1.320 ( 16.435 -4.812 9.073) 19.380 1.627 ( 5.155 -18.750 -3.008) 19.677 2.036 ( 2.326 -9.919 -7.156) 12.450 2.223 ( 1.499 -18.303 1.582) 18.433 2.370 ( 7.293 -1.770 -15.921) 17.601 2.411 ( 16.456 -13.644 8.779) 23.109 2.736 ( 3.680 2.119 4.684) 6.323 2.900 ( -6.713 -6.587 -0.188) 9.407 3.102 ( -1.032 -4.523 1.944) 5.030 3.293 ( 0.844 -8.748 -7.416) 11.500 3.518 ( -1.265 -6.886 6.552) 9.589 3.676 ( -8.324 -0.076 -1.295) 8.424 3.890 ( 1.841 -0.132 9.242) 9.425 4.085 ( -7.798 -0.600 -11.055) 13.542 4.414 ( -5.847 0.298 1.668) 6.088 4.611 ( -0.315 4.461 -4.202) 6.137 4.808 ( -1.138 2.676 4.316) 5.205 4.897 ( -2.141 7.117 -3.091) 8.049 5.011 ( 0.277 2.419 -2.907) 3.792 5.086 ( -0.641 -0.832 3.441) 3.597 5.171 ( 3.118 -0.306 -9.990) 10.470 5.327 ( -2.139 -4.288 2.280) 5.307 5.427 ( 0.764 -3.097 2.122) 3.831 5.846 ( -2.401 -0.099 -1.797) 3.000 5.886 ( -0.926 -2.076 -5.276) 5.745 6.025 ( 3.037 -4.256 2.079) 5.626 6.118 ( 1.625 -3.714 0.335) 4.068 6.346 ( -2.239 12.260 -2.741) 12.761 6.614 ( -2.911 -0.037 9.158) 9.610 6.782 ( -5.006 -7.106 -1.671) 8.852 7.068 ( -1.393 8.226 -4.900) 9.675 7.390 ( -5.976 -3.468 0.071) 6.909 7.535 ( -6.262 -1.443 2.683) 6.963 7.702 ( -2.341 14.570 5.116) 15.618 7.863 ( 3.406 -5.108 -0.705) 6.180 8.064 ( -1.500 -2.285 -0.163) 2.738 8.190 ( -3.240 -3.768 6.180) 7.930 8.233 ( -0.109 -6.925 1.659) 7.122 8.451 ( 1.879 -2.004 -0.574) 2.806 8.485 ( 3.383 -3.348 0.007) 4.760 9.043 ( 0.693 -0.116 -10.073) 10.098 9.368 ( -1.849 1.957 -0.500) 2.738 9.880 ( 3.367 6.708 4.563) 8.784 9.978 ( -1.507 5.857 2.953) 6.730 10.242 ( 0.785 4.746 0.453) 4.831 10.477 ( 1.957 7.121 -0.034) 7.385 10.847 ( 5.286 -9.237 -1.048) 10.694 11.577 ( 1.871 -9.526 -0.161) 9.709 12.275 ( -6.144 -4.468 1.754) 7.797 12.654 ( -7.607 -5.051 -1.772) 9.301 12.959 ( -0.654 4.603 -0.789) 4.715 13.633 ( 1.294 -8.096 0.275) 8.204 13.764 ( 1.265 -0.295 -0.997) 1.637 14.306 ( 10.644 -0.684 -0.829) 10.698 14.560 ( 8.413 -3.023 -6.428) 11.011 15.375 ( -3.457 6.010 19.877) 21.051 16.303 ( 1.796 1.376 -4.603) 5.129 16.530 ( 2.914 6.905 -4.340) 8.660 17.405 ( -4.588 8.869 1.263) 10.065 ======================= Grid point 129 (53/172) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 6.975 -9.197 0.088) 11.543 1.601 ( 12.618 -8.773 7.598) 17.144 2.029 ( 6.224 -15.113 3.118) 16.639 2.243 ( 1.786 -8.582 -8.776) 12.405 2.497 ( -1.009 -9.837 -0.531) 9.903 2.542 ( 5.363 -11.166 -13.089) 18.021 2.751 ( 0.726 -16.317 1.818) 16.433 2.863 ( 0.792 -7.773 -0.757) 7.850 2.992 ( 0.978 -11.837 2.692) 12.178 3.211 ( 3.709 -5.947 -0.699) 7.044 3.449 ( -1.376 -6.539 -6.707) 9.467 3.669 ( -1.711 -6.878 -2.276) 7.444 3.690 ( 0.184 -9.581 8.031) 12.503 3.956 ( -0.763 -6.678 6.138) 9.103 4.039 ( -4.839 -1.737 -6.807) 8.531 4.341 ( -6.757 1.418 3.702) 7.834 4.541 ( -1.662 0.913 -0.769) 2.046 4.705 ( -3.264 5.829 2.883) 7.276 4.796 ( 0.540 2.801 0.320) 2.870 4.936 ( -3.577 3.372 -4.131) 6.421 5.089 ( -0.745 0.449 5.905) 5.968 5.157 ( 5.176 3.955 -5.553) 8.560 5.326 ( -4.997 -2.116 -5.463) 7.700 5.612 ( 2.400 -10.073 7.288) 12.663 5.837 ( -1.564 -1.083 2.048) 2.795 5.910 ( -1.100 -1.690 -4.135) 4.600 6.106 ( 5.399 1.092 -4.642) 7.203 6.156 ( -1.794 3.650 -1.466) 4.323 6.225 ( 1.536 -4.865 2.723) 5.783 6.604 ( -3.792 -1.060 5.390) 6.675 6.833 ( -2.610 -3.171 -1.020) 4.232 6.902 ( 0.771 7.820 -5.082) 9.358 7.317 ( -5.867 5.513 1.343) 8.162 7.444 ( -1.636 11.179 7.049) 13.316 7.590 ( -4.295 -6.929 -2.110) 8.421 8.005 ( 2.449 -6.534 -1.094) 7.063 8.080 ( -1.714 -1.828 2.736) 3.710 8.240 ( -0.734 2.948 2.924) 4.217 8.288 ( -1.131 -6.378 -0.646) 6.510 8.519 ( 0.656 -4.093 -0.350) 4.160 8.642 ( 3.646 -9.574 0.195) 10.247 9.047 ( 0.279 -1.203 -8.068) 8.162 9.307 ( -1.322 3.034 0.444) 3.340 9.723 ( 1.632 11.854 4.151) 12.665 9.876 ( 0.590 6.112 3.591) 7.113 10.139 ( 0.019 7.165 0.955) 7.229 10.353 ( 0.934 7.394 -0.889) 7.506 11.105 ( 5.763 -13.790 -0.740) 14.963 11.799 ( -1.101 -13.938 1.456) 14.057 12.339 ( -5.304 -7.850 0.093) 9.475 12.695 ( -6.075 -5.477 -1.790) 8.373 12.910 ( -2.235 -1.110 -0.784) 2.616 13.645 ( 6.773 7.227 -4.779) 10.997 13.912 ( -1.192 -11.838 2.074) 12.077 14.287 ( 6.305 9.842 -1.800) 11.826 14.725 ( 8.486 -5.135 -3.587) 10.548 15.242 ( 1.073 8.124 18.212) 19.970 16.273 ( 0.730 2.361 -4.942) 5.525 16.353 ( -1.073 12.627 -6.502) 14.243 17.205 ( -3.428 8.585 2.730) 9.638 ======================= Grid point 130 (54/172) ======================= q-point: ( 0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 7.380 -5.781 -7.366) 11.922 1.838 ( 7.066 -6.089 10.415) 13.981 2.248 ( 3.597 -4.454 1.810) 6.005 2.348 ( -0.677 -4.948 -10.248) 11.400 2.566 ( 2.212 -1.420 0.966) 2.801 2.729 ( -2.432 -0.500 -6.195) 6.674 2.929 ( -2.760 -14.227 0.893) 14.519 3.050 ( -1.751 -7.267 -0.322) 7.482 3.318 ( 6.661 -14.505 -4.952) 16.711 3.359 ( -0.723 -6.781 -11.225) 13.134 3.484 ( 0.616 -3.883 -1.444) 4.188 3.823 ( 0.939 -8.663 -4.608) 9.857 3.906 ( 1.869 -11.045 7.190) 13.311 4.047 ( -1.986 -4.125 -5.505) 7.160 4.142 ( -3.037 -13.086 4.779) 14.259 4.305 ( -3.815 -2.512 9.807) 10.819 4.544 ( -3.109 -2.879 2.357) 4.849 4.620 ( -0.164 1.382 3.343) 3.621 4.777 ( 1.071 0.243 1.782) 2.093 4.856 ( -2.238 1.650 -2.220) 3.558 5.070 ( -2.187 0.962 2.262) 3.290 5.128 ( 3.399 2.556 -0.666) 4.305 5.301 ( -3.824 0.119 -3.769) 5.370 5.722 ( -5.692 -1.909 5.071) 7.859 5.871 ( -0.393 1.146 -6.030) 6.151 5.921 ( 5.158 -1.458 6.474) 8.405 6.088 ( 3.063 -1.027 -1.862) 3.729 6.207 ( -0.893 -5.398 -3.067) 6.272 6.310 ( 2.648 -3.025 2.370) 4.667 6.564 ( -2.745 2.959 -2.936) 4.991 6.827 ( 4.033 1.657 -1.433) 4.590 6.879 ( -1.044 -3.375 -1.074) 3.692 7.113 ( -1.417 12.344 1.703) 12.541 7.287 ( -3.764 4.501 4.838) 7.604 7.669 ( -3.081 -4.589 1.986) 5.873 8.044 ( -2.996 1.865 -0.172) 3.533 8.107 ( 0.990 3.154 -0.384) 3.328 8.222 ( -1.363 -7.119 1.757) 7.458 8.412 ( 0.672 -6.757 -0.757) 6.833 8.594 ( 0.176 -3.373 -1.342) 3.634 8.857 ( 3.480 -10.062 -0.343) 10.653 9.080 ( -0.468 -3.393 -6.002) 6.910 9.244 ( -0.066 3.206 0.327) 3.223 9.525 ( 0.930 11.072 4.136) 11.856 9.762 ( 0.021 6.939 3.952) 7.985 9.986 ( -0.581 9.289 1.822) 9.484 10.236 ( -0.098 5.552 -1.780) 5.831 11.428 ( 5.659 -15.655 -0.770) 16.664 12.041 ( -3.853 -13.814 3.669) 14.803 12.465 ( -3.356 -9.974 -2.304) 10.772 12.724 ( -1.228 -1.371 -0.726) 1.979 12.965 ( -7.982 -9.658 -1.653) 12.638 13.556 ( 7.432 7.726 -6.144) 12.356 14.050 ( -3.347 0.992 -2.465) 4.273 14.120 ( 7.236 9.159 4.099) 12.371 14.775 ( -1.817 3.527 11.483) 12.149 15.201 ( 19.361 8.964 3.993) 21.706 16.080 ( -10.231 8.165 -9.230) 16.017 16.230 ( 0.235 1.875 -5.229) 5.560 17.059 ( -2.301 5.114 3.983) 6.878 ======================= Grid point 131 (55/172) ======================= q-point: ( 0.60 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 5.048 0.262 -9.850) 11.071 1.967 ( 4.168 -1.932 10.961) 11.885 2.239 ( -2.440 5.279 -12.345) 13.646 2.415 ( -2.737 -4.670 -1.996) 5.769 2.569 ( -0.341 2.495 5.774) 6.299 2.735 ( 0.519 -2.866 -2.277) 3.697 3.065 ( -1.120 -2.091 -3.641) 4.345 3.141 ( 3.142 -2.995 0.970) 4.448 3.341 ( -0.575 -2.177 -7.923) 8.236 3.524 ( 2.511 -3.527 -8.807) 9.813 3.685 ( 1.507 -9.578 -0.937) 9.741 3.928 ( -1.735 -3.436 -1.259) 4.050 4.053 ( 1.722 -4.412 -9.308) 10.443 4.221 ( 2.518 -12.140 4.358) 13.142 4.319 ( -6.425 -9.229 4.468) 12.100 4.393 ( 1.520 -7.510 9.141) 11.927 4.577 ( -3.407 -2.562 0.595) 4.304 4.647 ( -0.830 -3.162 3.853) 5.053 4.793 ( 3.279 1.283 -2.646) 4.404 4.840 ( -1.126 -1.301 6.308) 6.539 5.018 ( -2.584 2.514 0.480) 3.637 5.136 ( 1.815 -1.253 4.292) 4.825 5.264 ( -1.930 0.430 -0.709) 2.101 5.671 ( -6.270 1.194 3.658) 7.357 5.795 ( -1.435 3.856 -6.843) 7.984 5.995 ( 5.587 0.357 2.152) 5.998 6.158 ( 4.595 -1.005 3.640) 5.948 6.230 ( -3.583 -0.267 1.020) 3.735 6.419 ( 1.148 -0.769 -11.192) 11.276 6.519 ( 0.665 -5.051 1.851) 5.420 6.844 ( 0.993 2.318 0.699) 2.617 6.894 ( 1.639 3.811 -3.369) 5.344 6.935 ( 0.652 1.803 2.449) 3.110 7.230 ( -2.051 -0.863 4.563) 5.077 7.707 ( -0.268 -1.063 4.775) 4.900 7.907 ( -2.591 6.928 -1.767) 7.604 8.108 ( -4.730 -3.049 3.419) 6.585 8.342 ( 2.236 -4.427 -2.834) 5.712 8.539 ( 0.162 -6.645 -1.505) 6.815 8.623 ( 0.067 0.396 -1.283) 1.345 9.040 ( 1.993 -6.341 -1.095) 6.736 9.143 ( -1.163 -4.701 -3.352) 5.890 9.183 ( 1.413 4.221 -1.641) 4.744 9.367 ( 0.412 7.243 4.503) 8.539 9.655 ( -0.614 4.288 5.287) 6.835 9.820 ( -0.596 7.567 2.294) 7.930 10.154 ( -0.302 2.681 -2.629) 3.767 11.729 ( 4.607 -11.070 -2.428) 12.233 12.210 ( -5.283 -8.316 7.758) 12.540 12.596 ( -0.335 -3.765 -3.997) 5.501 12.764 ( 1.235 -5.748 -0.368) 5.891 13.097 ( -10.422 -13.253 -2.384) 17.028 13.506 ( 5.819 3.386 -9.632) 11.752 13.854 ( -1.599 8.998 -1.642) 9.285 14.062 ( 5.536 10.206 10.260) 15.494 14.671 ( -7.449 5.210 15.218) 17.726 15.091 ( 20.325 22.510 -3.660) 30.548 15.989 ( -8.315 -8.496 -8.514) 14.622 16.213 ( -0.384 -1.435 -7.228) 7.379 16.983 ( -1.132 2.399 5.073) 5.725 ======================= Grid point 132 (56/172) ======================= q-point: (-0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 1.578 7.217 0.063) 7.387 1.976 ( -7.456 4.830 -8.277) 12.142 2.055 ( 6.600 9.694 -1.626) 11.840 2.458 ( -0.239 -1.263 0.140) 1.293 2.554 ( -0.991 -2.153 5.065) 5.592 2.760 ( 0.820 1.172 -2.739) 3.090 3.039 ( -1.952 0.748 -8.791) 9.036 3.222 ( 4.227 -2.166 -0.070) 4.750 3.428 ( 1.451 -5.070 -2.308) 5.757 3.590 ( 2.878 -3.776 -6.099) 7.729 3.740 ( 1.213 3.913 -0.403) 4.117 3.938 ( -3.164 -0.618 -3.104) 4.475 4.075 ( 1.779 4.055 -5.924) 7.396 4.316 ( -1.660 1.970 7.473) 7.904 4.500 ( -1.300 -8.690 -0.094) 8.788 4.552 ( 0.156 1.661 -1.825) 2.472 4.570 ( -0.586 -8.241 3.289) 8.892 4.692 ( -2.848 -3.897 2.836) 5.598 4.767 ( 4.067 3.484 2.106) 5.754 4.872 ( -1.705 -1.991 3.869) 4.674 4.947 ( -3.103 2.256 1.631) 4.169 5.215 ( -0.414 -4.060 4.640) 6.179 5.245 ( 3.006 1.778 2.202) 4.129 5.605 ( -4.707 0.474 4.566) 6.575 5.704 ( -2.034 3.614 -6.624) 7.815 6.017 ( 4.160 1.696 -1.500) 4.737 6.119 ( 0.110 4.469 -0.518) 4.500 6.270 ( -0.023 -2.237 1.423) 2.652 6.362 ( 1.665 3.979 -5.226) 6.776 6.603 ( -1.040 -0.478 -1.568) 1.941 6.788 ( -2.691 -0.021 2.938) 3.984 6.931 ( -0.417 -0.742 -3.229) 3.339 6.961 ( 6.578 -5.812 0.526) 8.794 7.275 ( -0.865 -3.701 5.652) 6.811 7.710 ( 1.293 1.481 0.623) 2.062 7.834 ( -2.170 -2.606 3.737) 5.047 8.111 ( -5.512 -1.414 3.616) 6.743 8.399 ( 4.836 1.247 -5.759) 7.623 8.571 ( -0.507 4.154 0.382) 4.202 8.639 ( -0.804 -3.521 -0.433) 3.638 9.066 ( 1.206 3.583 -2.656) 4.621 9.120 ( 0.458 4.986 -1.215) 5.153 9.222 ( -0.428 -4.485 -1.556) 4.766 9.281 ( -0.519 1.611 3.142) 3.569 9.620 ( -0.699 0.188 6.783) 6.821 9.753 ( -0.337 -1.277 1.654) 2.117 10.136 ( 0.416 -1.093 -3.377) 3.574 11.811 ( 1.698 6.041 -4.433) 7.684 12.315 ( -2.382 -5.966 10.290) 12.131 12.582 ( 0.365 2.262 -1.418) 2.694 12.928 ( 2.738 -6.472 -1.241) 7.136 13.247 ( -7.609 -11.921 -2.890) 14.435 13.452 ( 0.464 3.079 -10.813) 11.252 13.773 ( 2.889 5.239 3.322) 6.844 13.975 ( -0.098 -3.753 6.209) 7.256 14.391 ( -1.477 22.461 7.088) 23.599 14.904 ( 4.085 7.365 3.098) 8.974 16.090 ( -0.111 -4.365 -5.218) 6.804 16.295 ( -0.358 -9.234 -11.809) 14.995 16.962 ( 0.109 0.062 6.255) 6.257 ======================= Grid point 133 (57/172) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.252 14.887 10.452) 18.192 1.697 ( -6.710 13.014 -9.311) 17.351 1.993 ( 10.196 8.578 -1.673) 13.429 2.472 ( 0.061 -1.139 1.164) 1.629 2.620 ( -1.217 -3.036 1.094) 3.449 2.716 ( 1.136 2.720 -5.923) 6.616 3.009 ( -3.393 -0.878 -7.866) 8.612 3.271 ( 1.365 0.270 -3.537) 3.801 3.475 ( 7.207 4.570 1.722) 8.706 3.591 ( 1.488 12.680 -2.508) 13.011 3.670 ( -0.590 3.460 -2.780) 4.477 3.829 ( 0.020 10.978 -5.987) 12.505 3.960 ( 0.308 3.957 6.852) 7.919 4.229 ( -2.905 3.300 2.849) 5.239 4.478 ( -0.747 2.486 -2.166) 3.381 4.546 ( -6.110 -0.660 -2.889) 6.790 4.618 ( -1.079 1.394 2.658) 3.190 4.761 ( 0.673 0.649 6.348) 6.416 4.827 ( 0.855 4.159 1.961) 4.677 4.833 ( -0.713 -5.615 -1.350) 5.819 4.949 ( -1.135 -4.301 -0.142) 4.450 5.174 ( 0.050 3.877 -0.816) 3.962 5.324 ( 3.701 -2.937 3.929) 6.145 5.602 ( -3.039 -0.617 -0.568) 3.152 5.645 ( 0.226 -1.895 3.486) 3.974 5.993 ( 0.217 2.949 -4.642) 5.504 6.066 ( 3.522 3.121 -2.055) 5.135 6.234 ( -3.462 2.584 -0.991) 4.432 6.317 ( 3.170 4.291 1.395) 5.514 6.625 ( -0.260 -4.217 -3.961) 5.791 6.752 ( -1.160 2.523 3.478) 4.450 6.945 ( -1.444 -2.014 -4.186) 4.865 7.157 ( 0.601 -10.253 2.608) 10.596 7.348 ( -0.171 -4.548 4.895) 6.684 7.738 ( 2.834 -3.177 0.860) 4.344 7.926 ( -2.930 -7.382 5.105) 9.441 8.068 ( -3.032 2.261 2.551) 4.562 8.365 ( 5.708 6.431 -7.816) 11.620 8.474 ( 0.709 6.139 2.960) 6.852 8.649 ( -2.911 0.615 1.948) 3.556 8.932 ( 1.370 11.342 -1.788) 11.564 9.053 ( 1.499 2.570 -0.015) 2.975 9.278 ( -0.257 -3.286 -2.951) 4.424 9.308 ( -1.842 -3.827 2.588) 4.974 9.643 ( -0.149 -2.298 6.647) 7.034 9.846 ( -0.704 -8.245 0.001) 8.275 10.184 ( 0.785 -3.455 -3.170) 4.754 11.590 ( 0.276 16.212 -3.534) 16.595 12.293 ( 2.007 10.284 7.061) 12.635 12.617 ( -1.454 -6.509 0.276) 6.675 12.926 ( -1.107 6.945 -0.876) 7.087 13.352 ( -5.657 -4.313 -2.391) 7.505 13.531 ( 9.690 -8.930 -3.887) 13.739 13.707 ( -1.400 2.442 4.869) 5.624 13.922 ( -3.359 15.462 0.234) 15.824 14.232 ( -0.468 -12.818 -4.159) 13.484 14.856 ( -0.218 0.821 12.364) 12.394 16.141 ( 0.718 -2.395 -4.203) 4.891 16.444 ( -0.771 -7.433 -14.681) 16.474 17.000 ( 1.629 -2.791 7.242) 7.931 ======================= Grid point 134 (58/172) ======================= q-point: (-0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 3.542 17.855 11.660) 21.617 1.411 ( 1.152 15.232 3.720) 15.721 1.905 ( 10.608 10.560 -2.632) 15.197 2.491 ( -3.903 1.600 -6.240) 7.532 2.559 ( -4.942 -0.222 -3.806) 6.241 2.713 ( 4.672 4.170 -3.422) 7.136 2.984 ( -1.901 2.794 -2.077) 3.966 3.111 ( 2.894 34.030 -0.160) 34.153 3.160 ( -0.334 14.246 -3.624) 14.703 3.380 ( -1.557 13.459 -2.569) 13.790 3.516 ( 7.329 2.123 2.915) 8.169 3.762 ( 3.789 5.417 -3.457) 7.459 3.933 ( -5.090 -0.078 6.356) 8.144 4.135 ( -4.493 6.195 3.408) 8.377 4.444 ( -3.398 0.169 -8.275) 8.947 4.490 ( -3.726 -1.043 -4.655) 6.053 4.574 ( -1.552 3.023 7.520) 8.252 4.687 ( -0.246 2.019 1.516) 2.537 4.814 ( 2.094 0.252 -0.014) 2.109 4.859 ( -0.882 1.206 0.784) 1.688 5.028 ( -2.213 -4.690 -0.633) 5.224 5.141 ( -0.510 -0.529 -1.924) 2.060 5.391 ( 3.739 0.115 -3.282) 4.976 5.593 ( 0.713 -0.652 2.490) 2.671 5.761 ( 2.317 -6.727 6.469) 9.616 5.905 ( 2.736 6.433 -5.237) 8.735 6.047 ( -1.535 0.083 -0.072) 1.539 6.174 ( -0.636 2.384 1.850) 3.084 6.256 ( 1.023 3.636 -0.173) 3.782 6.692 ( -0.370 3.470 4.577) 5.755 6.729 ( 0.885 -7.078 -7.227) 10.154 6.968 ( -2.955 -3.046 -3.993) 5.827 7.332 ( -4.989 -11.059 6.299) 13.670 7.446 ( 0.107 -5.234 1.272) 5.387 7.840 ( 3.915 -1.979 5.494) 7.031 7.938 ( -5.677 2.882 1.534) 6.549 8.071 ( 1.326 -3.906 0.508) 4.156 8.273 ( 3.478 6.139 -5.666) 9.049 8.383 ( 2.068 5.584 2.388) 6.416 8.591 ( -3.535 2.404 3.364) 5.439 8.730 ( 1.082 11.226 -1.013) 11.323 9.024 ( 3.579 2.793 1.903) 4.923 9.352 ( -2.964 -3.964 1.768) 5.256 9.368 ( 1.594 -5.307 -2.645) 6.140 9.715 ( 0.670 -4.536 5.675) 7.295 10.009 ( -0.703 -9.729 -0.986) 9.804 10.253 ( 0.401 -3.792 -2.198) 4.401 11.279 ( 0.480 17.037 -3.040) 17.313 12.062 ( 1.915 16.259 4.792) 17.058 12.706 ( -0.387 1.332 -1.611) 2.126 12.752 ( -3.230 3.562 1.777) 5.127 13.293 ( -3.313 9.898 -4.646) 11.425 13.526 ( -3.634 2.099 4.167) 5.915 13.829 ( 5.878 -11.111 2.797) 12.878 13.905 ( 8.415 -4.695 -2.124) 9.868 14.376 ( -5.159 -4.575 -8.876) 11.239 14.954 ( 0.085 -10.582 16.386) 19.506 16.193 ( 0.765 -3.154 -3.209) 4.564 16.491 ( -3.337 -1.603 -15.887) 16.312 17.107 ( 2.133 -6.209 7.239) 9.773 ======================= Grid point 138 (59/172) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 5.796 -0.000 3.172) 6.607 1.465 ( 6.453 -0.000 -3.701) 7.439 1.471 ( 17.525 -0.000 7.263) 18.971 1.935 ( 1.000 -0.000 -6.859) 6.932 2.060 ( 3.275 -0.000 0.855) 3.385 2.410 ( 9.425 -0.000 1.564) 9.554 2.471 ( 13.111 -0.000 -7.226) 14.970 2.746 ( -8.809 0.000 -0.441) 8.820 2.828 ( 6.941 -0.000 3.617) 7.827 2.991 ( -7.107 0.000 0.380) 7.117 3.230 ( 2.793 -0.000 -3.474) 4.457 3.482 ( 4.298 -0.000 2.574) 5.010 3.610 ( -5.924 0.000 2.436) 6.405 3.911 ( 0.020 -0.000 9.035) 9.035 4.009 ( -5.808 0.000 -7.481) 9.471 4.364 ( -6.681 0.000 1.485) 6.844 4.655 ( -0.621 0.000 -6.993) 7.020 4.825 ( -2.324 0.000 4.101) 4.714 4.960 ( -2.929 0.000 -1.334) 3.218 5.020 ( -3.169 0.000 -4.761) 5.719 5.066 ( -0.395 0.000 -9.928) 9.936 5.135 ( -1.651 0.000 3.922) 4.255 5.256 ( 0.503 -0.000 9.335) 9.348 5.460 ( 4.254 -0.000 -4.584) 6.254 5.833 ( -1.974 0.000 -3.377) 3.912 5.849 ( 0.468 -0.000 -6.614) 6.630 5.992 ( 2.139 -0.000 6.914) 7.237 6.097 ( 1.224 -0.000 -2.677) 2.944 6.464 ( -8.511 0.000 -4.122) 9.457 6.596 ( -4.325 0.000 11.364) 12.159 6.633 ( -0.285 0.000 0.208) 0.353 7.136 ( -1.651 0.000 -3.551) 3.916 7.289 ( -4.569 0.000 -2.411) 5.166 7.483 ( -5.858 0.000 3.379) 6.762 7.846 ( 3.624 -0.000 -1.100) 3.787 7.866 ( -4.215 0.000 4.431) 6.116 8.017 ( -1.028 0.000 -2.023) 2.269 8.116 ( 2.228 -0.000 2.663) 3.472 8.142 ( -2.749 0.000 7.741) 8.214 8.444 ( 2.184 -0.000 -1.496) 2.647 8.493 ( 2.046 -0.000 -0.678) 2.156 9.042 ( 1.415 -0.000 -9.087) 9.197 9.371 ( -1.463 0.000 -0.261) 1.486 9.959 ( 0.949 -0.000 3.887) 4.001 10.014 ( -2.516 0.000 1.614) 2.990 10.302 ( 0.944 -0.000 1.264) 1.577 10.574 ( 1.209 -0.000 -0.564) 1.334 10.808 ( 7.359 -0.000 -1.166) 7.451 11.505 ( 1.514 -0.000 -0.083) 1.516 12.187 ( -4.805 0.000 0.762) 4.865 12.539 ( -7.419 0.000 -0.673) 7.449 13.003 ( -1.868 0.000 -0.772) 2.021 13.528 ( 1.831 -0.000 4.659) 5.006 13.825 ( 6.476 -0.000 -3.883) 7.551 14.359 ( 9.835 -0.000 -3.443) 10.420 14.593 ( 4.213 -0.000 -7.411) 8.525 15.423 ( -3.352 0.000 22.221) 22.472 16.329 ( 1.910 -0.000 -3.945) 4.383 16.619 ( 3.010 -0.000 -2.718) 4.055 17.454 ( -4.495 0.000 -1.015) 4.608 ======================= Grid point 139 (60/172) ======================= q-point: ( 0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 1.945 -12.580 -2.872) 13.050 1.594 ( 12.828 -5.353 4.180) 14.516 1.766 ( 9.072 -16.912 1.411) 19.243 2.043 ( 2.493 -9.024 -2.913) 9.805 2.246 ( 0.631 -15.293 1.016) 15.339 2.525 ( 12.244 -3.043 -6.880) 14.371 2.539 ( 1.293 -2.475 -5.861) 6.492 2.745 ( -9.820 -7.478 0.330) 12.347 2.878 ( 4.210 -1.186 -0.370) 4.389 3.040 ( -4.815 -10.125 -1.641) 11.331 3.329 ( 3.462 -7.542 -1.970) 8.530 3.558 ( 4.189 -3.412 5.158) 7.469 3.605 ( 0.703 -2.237 -1.263) 2.663 3.913 ( -0.451 0.128 6.293) 6.311 3.976 ( -2.409 -0.930 -0.045) 2.583 4.301 ( -7.612 0.448 3.023) 8.203 4.581 ( -1.389 4.846 -5.472) 7.440 4.772 ( -3.435 3.566 3.247) 5.921 4.862 ( -1.226 4.601 -1.428) 4.971 4.954 ( -4.184 2.616 -4.285) 6.535 5.089 ( -5.009 0.158 3.739) 6.252 5.157 ( 1.248 -5.676 -4.761) 7.513 5.298 ( 0.524 0.762 -0.372) 0.997 5.506 ( 5.161 -3.608 5.797) 8.559 5.822 ( -0.254 -0.060 -1.698) 1.718 5.855 ( -0.538 -1.495 -6.462) 6.654 6.088 ( 2.650 -4.819 3.945) 6.769 6.130 ( -0.212 -3.945 -3.074) 5.005 6.290 ( -2.643 7.921 -2.975) 8.865 6.567 ( -4.759 -0.076 10.209) 11.264 6.709 ( -3.056 -5.941 -0.242) 6.685 7.051 ( 1.259 7.019 -4.377) 8.367 7.287 ( -5.548 -2.205 -0.021) 5.970 7.451 ( -3.745 -2.198 -0.690) 4.397 7.682 ( -1.279 12.895 4.190) 13.618 7.917 ( 3.090 -4.540 -0.918) 5.568 8.053 ( 0.149 -2.479 0.988) 2.672 8.154 ( -2.198 -3.949 5.481) 7.104 8.233 ( -0.969 -5.508 1.405) 5.767 8.478 ( 1.524 -1.364 -1.419) 2.489 8.528 ( 1.525 -4.185 -1.396) 4.668 9.042 ( 1.570 0.400 -7.331) 7.508 9.343 ( -0.873 1.851 0.504) 2.108 9.894 ( -2.505 6.260 1.281) 6.863 9.977 ( 0.890 3.604 4.030) 5.479 10.260 ( 0.896 5.192 1.369) 5.444 10.504 ( 1.151 7.257 -1.060) 7.424 10.955 ( 7.223 -8.424 -1.066) 11.147 11.583 ( -1.774 -8.067 1.067) 8.328 12.194 ( -2.548 -4.196 -0.979) 5.006 12.521 ( -7.282 -4.833 -0.402) 8.749 12.945 ( -0.699 3.665 -0.446) 3.758 13.663 ( 1.472 -10.456 4.492) 11.475 13.845 ( 8.009 4.039 -4.326) 9.958 14.449 ( 5.457 1.955 -3.634) 6.841 14.634 ( 2.679 -6.237 -8.778) 11.097 15.373 ( -2.332 5.014 22.297) 22.972 16.320 ( 1.246 2.055 -4.072) 4.728 16.566 ( 2.397 8.411 -3.202) 9.313 17.337 ( -3.442 7.905 -0.407) 8.631 ======================= Grid point 140 (61/172) ======================= q-point: ( 0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 2.483 -11.625 -8.731) 14.749 1.803 ( 8.683 -5.885 6.445) 12.311 2.150 ( 3.597 -14.498 2.688) 15.178 2.214 ( -0.001 -6.944 -0.563) 6.967 2.469 ( -1.329 -8.825 0.613) 8.946 2.653 ( 7.404 -9.284 -12.384) 17.157 2.741 ( -7.504 -1.431 0.155) 7.641 2.776 ( 1.443 -14.908 -6.340) 16.264 3.037 ( 0.547 -15.544 -0.419) 15.559 3.218 ( -1.066 -10.956 -6.849) 12.965 3.476 ( 3.839 -2.591 0.628) 4.674 3.673 ( 1.649 -7.211 -5.995) 9.521 3.740 ( 3.141 -10.574 4.677) 11.981 3.932 ( -3.179 -3.891 2.647) 5.679 3.997 ( 1.510 -1.112 3.113) 3.634 4.241 ( -6.311 -0.941 8.469) 10.604 4.500 ( -2.238 1.269 -1.587) 3.023 4.674 ( -1.310 3.989 2.719) 5.002 4.802 ( -0.069 1.772 1.379) 2.246 4.864 ( -3.168 2.416 -1.914) 4.420 5.052 ( -3.910 -0.062 3.106) 4.994 5.225 ( 3.602 1.002 -3.524) 5.138 5.268 ( 0.013 0.843 -2.023) 2.192 5.640 ( -1.084 -4.582 7.502) 8.857 5.843 ( 0.846 -2.511 -1.843) 3.228 5.879 ( -0.915 -3.586 -2.257) 4.335 6.107 ( -2.605 3.676 -4.010) 6.031 6.165 ( 2.503 -2.520 -3.750) 5.165 6.285 ( 3.898 -3.453 4.433) 6.838 6.548 ( -3.584 -0.830 4.993) 6.201 6.783 ( -2.104 -5.240 -0.962) 5.728 6.940 ( 4.215 6.302 -3.185) 8.223 7.228 ( -4.566 3.474 0.723) 5.783 7.442 ( -0.576 12.774 5.274) 13.832 7.517 ( -3.134 -7.470 -1.941) 8.331 8.034 ( 0.562 -2.228 0.481) 2.348 8.075 ( 0.771 -3.913 1.642) 4.314 8.222 ( -1.911 3.965 0.501) 4.430 8.277 ( -0.367 -8.206 1.775) 8.403 8.527 ( 0.556 -3.427 -1.142) 3.655 8.683 ( 0.979 -10.567 -2.349) 10.869 9.043 ( 1.095 -0.234 -5.507) 5.620 9.298 ( 0.197 2.640 1.072) 2.856 9.725 ( -1.692 9.830 1.382) 10.070 9.895 ( 0.373 6.539 4.206) 7.784 10.144 ( 0.241 8.058 1.376) 8.178 10.363 ( 0.360 8.195 -1.415) 8.324 11.215 ( 6.842 -13.164 -0.903) 14.863 11.750 ( -5.486 -12.958 2.346) 14.266 12.289 ( 0.555 -7.464 -2.991) 8.060 12.578 ( -6.656 -7.867 -0.139) 10.305 12.884 ( -0.806 2.007 -0.475) 2.214 13.779 ( 9.507 7.508 -3.408) 12.584 13.913 ( 0.007 -10.703 3.824) 11.365 14.339 ( 0.628 9.374 -5.534) 10.903 14.807 ( 1.826 -4.378 2.191) 5.225 15.312 ( 1.760 -0.576 12.143) 12.283 16.264 ( -0.141 6.119 -7.060) 9.343 16.334 ( 0.396 16.163 -2.939) 16.433 17.159 ( -2.435 7.702 2.052) 8.335 ======================= Grid point 141 (62/172) ======================= q-point: ( 0.60 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.302 -6.696 -12.730) 14.387 1.955 ( 3.544 -4.006 7.571) 9.270 2.254 ( -3.718 -1.170 -10.094) 10.820 2.329 ( 2.222 -3.223 6.698) 7.759 2.612 ( 2.375 -3.324 2.720) 4.908 2.661 ( -2.182 -0.821 -4.713) 5.258 2.926 ( -0.181 -11.840 -5.980) 13.266 3.019 ( -0.024 -12.676 -0.207) 12.678 3.295 ( -1.455 -3.709 -10.860) 11.568 3.425 ( 5.971 -14.019 -3.827) 15.711 3.525 ( 2.427 -3.729 -1.428) 4.673 3.835 ( 1.665 -6.732 -3.460) 7.750 3.930 ( -0.266 -7.814 -3.823) 8.703 4.052 ( -5.702 -11.477 1.802) 12.941 4.068 ( 3.220 -7.256 5.297) 9.543 4.271 ( -3.873 -5.751 10.928) 12.942 4.492 ( -2.734 -2.460 2.214) 4.292 4.632 ( 0.135 0.434 1.367) 1.441 4.791 ( -2.303 -1.137 4.652) 5.314 4.835 ( 2.210 0.157 -1.242) 2.540 5.038 ( -0.165 0.006 3.893) 3.896 5.191 ( 3.540 4.398 -2.059) 6.010 5.265 ( 0.007 0.105 2.226) 2.229 5.638 ( -4.959 0.451 3.047) 5.838 5.819 ( -3.485 2.014 -7.232) 8.276 6.024 ( 4.833 -4.084 4.745) 7.909 6.085 ( -2.198 -5.754 -2.842) 6.783 6.221 ( 2.104 -1.095 -0.956) 2.558 6.355 ( 1.793 -2.044 2.344) 3.590 6.533 ( -0.123 1.213 -2.070) 2.402 6.866 ( 0.436 -4.375 -3.015) 5.332 6.901 ( 4.148 2.324 0.691) 4.805 7.088 ( -2.060 9.004 1.564) 9.368 7.249 ( -1.937 6.375 4.521) 8.052 7.633 ( -1.201 -6.742 2.317) 7.229 7.993 ( -2.709 3.451 -0.655) 4.435 8.096 ( -1.977 5.643 0.600) 6.009 8.231 ( 2.096 -8.315 -1.408) 8.689 8.420 ( 0.100 -6.949 1.376) 7.085 8.594 ( 0.286 -3.159 -1.507) 3.512 8.886 ( -0.019 -11.029 -2.804) 11.380 9.064 ( 0.016 -2.142 -3.917) 4.464 9.260 ( 1.736 2.692 0.397) 3.228 9.532 ( -0.881 9.948 2.790) 10.369 9.767 ( -0.648 7.352 4.264) 8.524 9.982 ( -0.226 9.648 1.884) 9.833 10.229 ( -0.241 6.054 -1.985) 6.376 11.529 ( 6.154 -14.729 -1.465) 16.030 11.941 ( -8.621 -13.638 4.172) 16.665 12.466 ( 4.591 -9.678 -4.823) 11.748 12.678 ( -3.870 -7.387 0.541) 8.357 12.867 ( -2.816 -2.671 -1.038) 4.018 13.693 ( 9.422 9.320 -4.107) 13.875 13.975 ( -4.460 5.834 -3.124) 7.981 14.248 ( 5.837 1.042 5.876) 8.347 14.718 ( -6.891 8.985 14.250) 18.201 15.523 ( 13.768 -10.249 -2.760) 17.384 15.861 ( -10.008 22.750 -8.651) 26.317 16.228 ( 0.637 2.713 -4.456) 5.256 17.038 ( -1.194 4.314 4.115) 6.080 ======================= Grid point 142 (63/172) ======================= q-point: (-0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -3.689 -1.624 -10.327) 11.085 1.995 ( -3.700 2.242 4.257) 6.069 2.204 ( 3.254 2.527 -11.267) 11.997 2.412 ( 1.564 -4.359 3.907) 6.059 2.557 ( -0.969 3.533 2.376) 4.366 2.774 ( 3.465 -3.335 1.352) 4.996 3.029 ( -1.973 -0.916 -5.451) 5.869 3.188 ( 2.688 -4.706 -6.054) 8.126 3.325 ( -0.199 -4.851 -0.154) 4.858 3.544 ( 1.923 -2.717 -8.518) 9.146 3.721 ( 1.514 -7.011 -2.783) 7.694 3.887 ( -0.509 -1.382 -5.243) 5.446 4.090 ( 3.329 -4.533 1.257) 5.763 4.201 ( -7.639 -13.531 0.959) 15.568 4.271 ( 1.053 -8.853 4.087) 9.807 4.389 ( -3.647 -9.194 3.925) 10.641 4.541 ( 0.269 -4.072 1.686) 4.416 4.651 ( 0.757 -1.338 1.669) 2.269 4.800 ( -4.021 -1.423 6.079) 7.427 4.869 ( 5.266 0.231 -0.839) 5.337 5.021 ( 2.300 4.993 1.725) 5.761 5.167 ( 0.200 -0.900 5.411) 5.489 5.284 ( 3.495 -0.628 4.744) 5.926 5.585 ( -4.405 0.962 1.020) 4.622 5.731 ( -3.575 2.731 -8.096) 9.263 6.085 ( 4.537 0.414 0.827) 4.630 6.160 ( -4.371 -0.347 -1.118) 4.525 6.229 ( 2.047 -0.649 5.693) 6.084 6.430 ( 2.589 -1.339 -9.963) 10.381 6.522 ( -0.339 -2.561 0.823) 2.711 6.829 ( -2.761 6.337 1.927) 7.176 6.943 ( 3.629 0.396 -4.205) 5.568 6.962 ( 2.078 0.691 2.958) 3.680 7.203 ( -2.516 -2.025 5.397) 6.290 7.726 ( 1.162 -2.395 5.678) 6.271 7.864 ( -1.204 6.515 -2.731) 7.166 8.037 ( -3.921 -1.464 1.679) 4.509 8.387 ( 3.639 -5.845 -3.599) 7.769 8.526 ( -1.367 -4.827 0.766) 5.075 8.626 ( 0.262 -0.243 -1.374) 1.420 9.055 ( 0.052 -6.662 -2.365) 7.069 9.111 ( -1.424 -4.506 -3.082) 5.642 9.212 ( 1.982 4.663 -1.163) 5.199 9.373 ( -0.695 7.191 3.906) 8.213 9.656 ( -0.802 3.995 5.668) 6.981 9.818 ( -0.146 7.534 2.210) 7.853 10.145 ( -0.021 2.473 -2.797) 3.733 11.810 ( 5.590 -8.801 -4.497) 11.355 12.087 ( -10.179 -11.201 7.753) 17.005 12.629 ( 3.596 -1.144 -2.784) 4.690 12.804 ( 2.745 -9.564 0.006) 9.951 12.970 ( -1.918 -11.441 -2.019) 11.775 13.595 ( 6.503 9.957 -10.236) 15.691 13.801 ( -3.284 3.209 0.202) 4.596 14.189 ( 4.586 15.197 13.734) 20.991 14.561 ( -8.225 1.766 11.263) 14.058 15.264 ( -2.557 28.128 -6.174) 28.911 15.895 ( 3.131 -15.887 -7.742) 17.948 16.201 ( 0.613 -0.242 -6.501) 6.534 16.984 ( -0.246 1.727 5.404) 5.678 ======================= Grid point 143 (64/172) ======================= q-point: (-0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -4.590 2.661 -7.164) 8.914 1.833 ( -3.026 10.532 4.237) 11.749 2.205 ( 8.515 3.417 -8.765) 12.689 2.483 ( 2.488 1.841 0.994) 3.251 2.537 ( -2.318 -4.464 5.215) 7.245 2.797 ( 4.238 3.370 -1.619) 5.652 2.973 ( -3.089 1.726 -7.231) 8.050 3.261 ( 1.303 -1.776 -4.701) 5.191 3.444 ( -2.497 -8.113 3.229) 9.082 3.611 ( 3.471 -2.930 -8.129) 9.312 3.747 ( -1.515 2.338 -2.927) 4.041 3.900 ( 1.335 0.243 -9.640) 9.735 4.113 ( 2.629 4.667 8.650) 10.174 4.287 ( -3.345 0.446 6.466) 7.294 4.390 ( -7.167 -5.821 -2.755) 9.635 4.558 ( -2.323 -7.593 1.038) 8.008 4.587 ( 2.833 1.166 -3.206) 4.435 4.693 ( 1.098 -2.097 2.879) 3.727 4.789 ( -1.837 -1.315 6.945) 7.303 4.901 ( 5.319 1.455 -0.382) 5.527 4.932 ( -0.251 3.921 0.960) 4.044 5.190 ( -1.985 -0.641 2.545) 3.291 5.360 ( 7.488 -0.866 7.024) 10.303 5.539 ( -4.401 -0.725 0.760) 4.525 5.663 ( -0.265 1.410 -4.018) 4.266 6.047 ( -1.550 4.675 0.213) 4.930 6.126 ( 2.227 0.651 -1.940) 3.024 6.248 ( -1.428 1.258 -2.135) 2.860 6.425 ( 5.025 2.726 -2.492) 6.236 6.560 ( -3.140 -1.592 -2.646) 4.404 6.751 ( -2.403 -0.469 2.880) 3.780 6.921 ( -0.295 0.628 0.119) 0.704 7.040 ( 2.283 -3.625 -2.183) 4.809 7.252 ( -3.002 -4.721 6.165) 8.325 7.737 ( 1.926 0.393 -1.635) 2.556 7.819 ( -1.245 -1.629 7.010) 7.303 8.058 ( -0.592 -2.113 1.388) 2.597 8.472 ( 5.159 0.730 -5.882) 7.858 8.545 ( -3.120 0.756 1.661) 3.615 8.631 ( -0.057 -0.365 -0.004) 0.370 9.090 ( 2.091 1.895 -3.397) 4.416 9.125 ( 0.358 6.112 -1.262) 6.251 9.205 ( -1.088 -5.171 -0.509) 5.309 9.267 ( -1.753 2.476 2.785) 4.118 9.625 ( -0.552 -0.053 6.741) 6.764 9.749 ( -0.432 -0.740 1.479) 1.709 10.137 ( 0.490 -1.505 -3.263) 3.627 11.834 ( 1.897 8.803 -4.809) 10.208 12.245 ( -6.418 -11.888 8.429) 15.924 12.617 ( 2.647 3.168 0.167) 4.131 12.970 ( 0.621 -3.457 -0.306) 3.526 13.211 ( 4.863 -8.952 -3.775) 10.865 13.474 ( 5.463 -0.523 -8.622) 10.220 13.828 ( 2.574 3.097 2.355) 4.665 13.955 ( -4.381 2.226 7.792) 9.212 14.338 ( -5.664 19.351 3.837) 20.525 14.897 ( -5.503 6.024 3.635) 8.932 16.099 ( 2.320 -3.826 -4.845) 6.595 16.275 ( 1.204 -8.150 -11.559) 14.195 16.982 ( 0.402 -0.844 6.102) 6.173 ======================= Grid point 144 (65/172) ======================= q-point: (-0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.909 9.195 -5.390) 10.697 1.634 ( 3.240 11.660 12.192) 17.178 2.178 ( 11.438 8.004 -8.162) 16.171 2.473 ( -0.930 -0.167 1.165) 1.500 2.532 ( -5.997 2.462 -3.491) 7.363 2.802 ( 7.316 1.133 -0.120) 7.404 2.932 ( -3.229 -1.615 -5.142) 6.283 3.262 ( -0.911 1.571 -3.636) 4.064 3.529 ( -5.303 -2.040 1.636) 5.913 3.596 ( -0.015 11.399 -3.643) 11.967 3.659 ( 4.646 7.579 -8.421) 12.245 3.846 ( 2.083 4.291 -5.083) 6.971 3.999 ( 2.762 9.743 7.626) 12.677 4.190 ( -2.609 5.404 8.941) 10.768 4.383 ( -8.873 -1.553 -2.293) 9.295 4.471 ( -0.757 3.645 -0.236) 3.730 4.635 ( 1.052 2.699 0.531) 2.945 4.741 ( -2.093 0.067 4.779) 5.218 4.793 ( -3.021 -0.652 -0.124) 3.093 4.890 ( 1.600 1.271 -5.418) 5.790 4.947 ( 2.553 -2.684 3.451) 5.063 5.157 ( -1.901 1.983 -0.406) 2.777 5.423 ( 5.585 0.349 -3.758) 6.741 5.564 ( -0.011 -3.461 5.916) 6.854 5.697 ( 3.790 -3.503 4.058) 6.565 5.972 ( -2.192 1.368 -0.219) 2.593 6.091 ( -0.414 5.364 -3.336) 6.330 6.205 ( 1.168 0.766 -2.262) 2.658 6.372 ( 2.845 6.817 0.224) 7.391 6.594 ( -2.205 -5.812 -5.317) 8.180 6.747 ( 0.003 1.249 2.938) 3.193 6.919 ( -0.759 -0.660 -1.362) 1.693 7.113 ( -5.430 -7.012 0.758) 8.901 7.335 ( -2.396 -5.969 4.212) 7.688 7.819 ( 5.696 -4.667 1.231) 7.467 7.845 ( -6.401 -3.823 4.817) 8.876 8.086 ( 3.153 0.867 1.608) 3.644 8.437 ( 4.614 6.688 -7.720) 11.208 8.477 ( -2.340 3.725 4.547) 6.327 8.614 ( -0.735 1.879 1.048) 2.274 8.945 ( 0.572 11.279 -0.679) 11.314 9.093 ( 3.073 1.446 -2.147) 4.017 9.265 ( -2.069 -2.832 2.206) 4.143 9.281 ( -0.309 -4.658 -0.339) 4.680 9.653 ( -0.286 -2.788 5.542) 6.210 9.835 ( -0.595 -8.136 0.660) 8.184 10.185 ( 0.178 -3.413 -2.879) 4.468 11.596 ( 1.147 16.519 -2.793) 16.793 12.298 ( -2.761 5.160 7.309) 9.363 12.628 ( 2.343 -3.288 -0.420) 4.059 12.889 ( -2.793 8.982 -1.406) 9.510 13.298 ( 0.500 -2.386 -5.649) 6.153 13.669 ( -2.887 4.302 4.531) 6.883 13.773 ( 10.294 0.448 2.123) 10.520 13.879 ( 4.592 -0.251 -2.646) 5.306 14.175 ( -4.526 -10.138 -6.031) 12.635 14.845 ( -3.982 -2.202 14.783) 15.468 16.148 ( 1.030 -2.065 -4.176) 4.771 16.391 ( -1.637 -4.815 -13.211) 14.156 17.034 ( 0.178 -3.647 5.887) 6.927 ======================= Grid point 149 (66/172) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -2.425 0.000 -7.360) 7.749 1.590 ( 6.936 -0.000 -0.736) 6.975 1.744 ( 11.558 -0.000 4.578) 12.432 1.999 ( 8.091 -0.000 -0.970) 8.149 2.108 ( 2.077 -0.000 0.370) 2.110 2.521 ( 0.971 -0.000 1.196) 1.540 2.551 ( -13.181 0.000 -0.078) 13.181 2.631 ( 12.356 -0.000 -6.842) 14.123 2.875 ( -5.706 0.000 -1.980) 6.040 2.879 ( -2.831 0.000 -8.768) 9.213 3.271 ( 2.787 -0.000 0.184) 2.793 3.587 ( -0.657 0.000 -2.058) 2.160 3.598 ( 7.501 -0.000 -0.416) 7.513 3.923 ( -0.764 0.000 6.621) 6.665 3.972 ( 2.394 -0.000 9.666) 9.958 4.239 ( -7.739 0.000 1.968) 7.985 4.633 ( 0.568 -0.000 -4.710) 4.744 4.776 ( -3.602 0.000 2.076) 4.157 4.911 ( -1.980 0.000 -2.128) 2.906 4.949 ( -7.403 0.000 -3.044) 8.005 4.963 ( -2.104 0.000 -4.752) 5.196 5.154 ( 1.613 -0.000 -0.516) 1.694 5.291 ( 0.979 -0.000 10.094) 10.141 5.558 ( 6.407 -0.000 0.777) 6.454 5.810 ( -0.018 0.000 -3.014) 3.014 5.851 ( 1.301 -0.000 -6.980) 7.100 6.031 ( 0.341 -0.000 7.367) 7.375 6.099 ( 0.142 -0.000 -6.903) 6.904 6.319 ( -6.961 0.000 -1.680) 7.161 6.538 ( -4.644 0.000 9.969) 10.998 6.635 ( 0.333 -0.000 0.875) 0.936 7.136 ( 2.611 -0.000 -3.063) 4.025 7.212 ( -3.372 0.000 -3.021) 4.527 7.410 ( -3.018 0.000 -0.378) 3.041 7.829 ( -1.597 0.000 5.503) 5.730 7.900 ( 2.808 -0.000 -0.572) 2.866 8.009 ( 0.493 -0.000 -1.693) 1.763 8.122 ( -1.672 0.000 7.636) 7.817 8.132 ( -0.767 0.000 1.287) 1.498 8.475 ( 1.602 -0.000 -2.063) 2.612 8.506 ( -0.075 0.000 -2.057) 2.058 9.058 ( 2.365 -0.000 -5.784) 6.249 9.356 ( -0.338 0.000 0.887) 0.949 9.917 ( -4.244 0.000 -0.743) 4.309 10.024 ( 0.920 -0.000 4.535) 4.627 10.320 ( 0.608 -0.000 1.773) 1.875 10.583 ( 0.093 -0.000 -1.918) 1.920 10.940 ( 7.975 -0.000 -1.220) 8.068 11.487 ( -3.944 0.000 1.354) 4.170 12.146 ( 0.670 -0.000 -2.128) 2.231 12.418 ( -6.404 0.000 0.566) 6.429 12.978 ( -0.983 0.000 -0.722) 1.220 13.573 ( 1.663 -0.000 6.106) 6.328 13.961 ( 9.742 -0.000 -3.796) 10.456 14.482 ( 5.274 -0.000 -4.280) 6.792 14.578 ( -2.846 0.000 -11.757) 12.097 15.425 ( -2.708 0.000 23.758) 23.912 16.346 ( 0.939 -0.000 -3.564) 3.686 16.661 ( 2.482 -0.000 -1.461) 2.880 17.386 ( -3.008 0.000 -2.617) 3.987 ======================= Grid point 150 (67/172) ======================= q-point: ( 0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -4.430 -15.222 -11.432) 19.546 1.766 ( 6.522 -8.637 2.212) 11.047 1.886 ( 3.589 -9.957 2.838) 10.958 2.137 ( 5.561 -5.745 2.744) 8.453 2.261 ( 3.159 -12.305 0.172) 12.705 2.458 ( -8.757 -5.313 -2.774) 10.612 2.614 ( -2.975 -6.171 -3.503) 7.694 2.746 ( 12.393 -2.623 -6.567) 14.268 2.824 ( -6.449 -3.103 -4.817) 8.627 2.960 ( -3.421 -11.667 -4.085) 12.826 3.390 ( 3.640 -8.785 1.350) 9.604 3.580 ( -3.128 -2.400 -8.374) 9.256 3.659 ( 3.304 -1.223 -0.385) 3.544 3.913 ( -0.534 0.274 3.582) 3.632 4.027 ( 4.555 -0.554 13.527) 14.284 4.179 ( -6.964 -0.001 5.003) 8.574 4.565 ( 0.936 6.064 -1.936) 6.434 4.728 ( -0.968 2.875 0.121) 3.036 4.840 ( -1.477 2.932 0.054) 3.283 4.884 ( -1.821 1.952 -2.169) 3.440 5.003 ( -2.887 -2.651 -0.037) 3.919 5.189 ( 2.096 -3.135 -0.890) 3.875 5.323 ( 1.684 0.318 2.011) 2.642 5.595 ( 2.896 -0.460 8.243) 8.749 5.820 ( 0.458 -0.840 -3.126) 3.269 5.842 ( 0.283 0.393 -5.220) 5.242 6.089 ( -3.084 -2.415 -0.822) 4.002 6.122 ( 0.504 -3.048 -3.322) 4.537 6.268 ( 0.713 -1.579 -0.158) 1.740 6.510 ( -3.705 -0.141 8.670) 9.430 6.681 ( -0.251 -4.001 0.171) 4.012 7.097 ( 4.792 6.253 -2.486) 8.261 7.208 ( -3.195 -1.418 -1.368) 3.754 7.399 ( -1.828 -2.102 -3.375) 4.375 7.677 ( -0.542 12.112 5.928) 13.496 7.966 ( 2.801 -4.365 -0.644) 5.227 8.065 ( 0.365 -1.601 2.895) 3.328 8.136 ( -1.170 -4.908 4.441) 6.722 8.203 ( -2.437 -4.371 0.391) 5.020 8.494 ( 0.504 -0.758 -1.428) 1.694 8.531 ( -0.277 -4.923 -3.973) 6.332 9.064 ( 2.336 1.024 -4.237) 4.945 9.342 ( 0.462 1.593 1.366) 2.148 9.834 ( -3.867 4.822 -1.048) 6.270 9.999 ( 0.102 3.813 4.343) 5.780 10.275 ( 0.459 5.277 1.675) 5.555 10.509 ( -0.249 6.936 -2.240) 7.293 11.080 ( 7.096 -7.820 -0.825) 10.592 11.511 ( -6.641 -7.264 1.425) 9.945 12.199 ( 3.712 -4.067 -3.350) 6.445 12.408 ( -5.695 -4.467 1.118) 7.323 12.934 ( -0.395 3.190 -0.599) 3.270 13.697 ( 0.837 -10.366 6.302) 12.160 13.995 ( 9.371 5.018 -2.077) 10.831 14.454 ( -2.348 5.322 -10.190) 11.733 14.651 ( 1.387 -10.723 -6.234) 12.481 15.375 ( -3.590 4.819 21.284) 22.116 16.325 ( 0.398 2.387 -3.997) 4.672 16.601 ( 2.303 9.248 -1.779) 9.696 17.284 ( -2.467 7.305 -1.701) 7.896 ======================= Grid point 151 (68/172) ======================= q-point: (-0.40 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -5.370 -13.558 -13.619) 19.953 1.898 ( -0.634 -4.500 3.645) 5.826 2.133 ( -1.556 -8.739 -1.162) 8.952 2.278 ( 2.984 -7.029 6.947) 10.324 2.482 ( 1.553 -9.820 2.871) 10.348 2.606 ( -3.964 -9.602 -4.816) 11.450 2.716 ( -0.177 -8.797 -14.432) 16.903 2.770 ( 0.702 -6.322 -5.090) 8.147 3.073 ( 3.699 -16.865 1.775) 17.356 3.192 ( 0.034 -15.187 -5.505) 16.154 3.522 ( 0.569 -0.705 -0.214) 0.931 3.639 ( -5.116 -9.052 -9.677) 14.205 3.776 ( 0.684 -12.954 1.522) 13.061 3.917 ( 3.963 2.042 -0.903) 4.549 4.081 ( 4.043 0.042 9.784) 10.586 4.148 ( -7.143 -3.371 11.343) 13.822 4.484 ( 1.054 2.981 0.146) 3.165 4.667 ( 0.653 3.266 -1.214) 3.545 4.781 ( -2.047 1.947 2.793) 3.973 4.856 ( 2.023 0.517 -1.051) 2.338 5.030 ( 0.765 -1.701 5.253) 5.574 5.261 ( 1.648 -1.807 1.853) 3.068 5.300 ( 3.048 3.683 -4.766) 6.750 5.617 ( -3.084 0.418 5.639) 6.441 5.813 ( -2.143 1.247 -4.928) 5.517 5.889 ( 0.553 -6.943 1.154) 7.059 6.066 ( -0.530 0.328 -3.542) 3.597 6.182 ( 0.327 -3.855 -3.457) 5.188 6.360 ( 3.319 -1.936 4.961) 6.275 6.514 ( -1.392 -2.183 3.794) 4.593 6.768 ( 0.647 -5.541 -2.007) 5.928 7.020 ( 5.250 6.171 0.130) 8.103 7.170 ( -1.940 3.139 -0.422) 3.714 7.421 ( -2.261 7.344 -0.554) 7.704 7.501 ( 0.871 -2.062 3.686) 4.313 8.028 ( -1.303 2.337 2.644) 3.762 8.108 ( 2.210 -6.649 0.135) 7.008 8.181 ( -2.153 3.740 -1.521) 4.575 8.281 ( 0.103 -8.598 2.717) 9.017 8.531 ( -0.077 -3.301 -1.174) 3.505 8.669 ( -1.251 -10.600 -4.596) 11.621 9.056 ( 1.332 0.864 -3.144) 3.522 9.317 ( 1.590 2.050 1.443) 2.969 9.686 ( -2.734 7.950 -0.139) 8.408 9.899 ( -1.140 6.972 3.941) 8.090 10.153 ( 0.407 8.483 1.760) 8.673 10.357 ( -0.649 8.227 -2.102) 8.516 11.325 ( 5.513 -12.732 -0.207) 13.876 11.628 ( -8.201 -12.102 0.857) 14.645 12.350 ( 7.052 -7.850 -4.298) 11.394 12.480 ( -4.563 -8.068 1.590) 9.404 12.876 ( -0.064 2.618 -0.636) 2.695 13.915 ( -0.821 -9.266 5.104) 10.610 13.940 ( 8.463 8.117 0.370) 11.733 14.303 ( -1.850 5.823 -9.725) 11.485 14.815 ( -1.800 -1.487 6.315) 6.733 15.312 ( -4.768 -4.639 6.049) 8.991 16.249 ( 0.382 8.596 -6.128) 10.563 16.353 ( 2.381 16.802 -2.019) 17.089 17.129 ( -1.600 6.611 1.509) 6.967 ======================= Grid point 152 (69/172) ======================= q-point: (-0.30 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -7.298 -7.310 -12.640) 16.324 1.957 ( -4.956 -3.773 4.644) 7.770 2.197 ( -0.215 -2.348 -6.737) 7.138 2.368 ( -0.227 -1.740 3.680) 4.077 2.618 ( -0.172 2.016 -5.002) 5.396 2.693 ( 4.219 -8.623 1.288) 9.685 2.868 ( -2.897 -12.840 -4.643) 13.958 3.060 ( 3.987 -13.497 -2.615) 14.314 3.280 ( 1.079 -2.991 -5.062) 5.978 3.476 ( 0.193 -7.315 -4.587) 8.636 3.534 ( -0.595 -10.319 -4.894) 11.436 3.818 ( -5.955 -15.156 -7.611) 17.975 3.908 ( 2.657 -0.017 1.119) 2.883 4.028 ( 2.417 -8.774 1.595) 9.240 4.137 ( 1.268 -4.600 8.719) 9.940 4.213 ( -3.263 -7.017 8.480) 11.480 4.485 ( 1.536 -1.894 2.329) 3.372 4.641 ( 1.547 -0.077 -1.014) 1.851 4.754 ( -1.834 -0.469 4.311) 4.709 4.893 ( 3.496 -1.497 -0.532) 3.840 5.088 ( 2.863 -1.382 8.506) 9.080 5.220 ( 0.638 5.018 -1.080) 5.172 5.308 ( 3.489 -0.214 1.256) 3.715 5.567 ( -3.585 0.980 0.552) 3.757 5.740 ( -3.019 2.967 -6.357) 7.638 6.027 ( -3.354 -6.859 -2.031) 7.901 6.109 ( 3.929 -3.350 2.481) 5.729 6.240 ( -0.116 -2.109 0.360) 2.142 6.381 ( 0.502 0.064 2.825) 2.870 6.548 ( 2.305 -0.050 -2.789) 3.618 6.859 ( -0.983 -2.320 -3.441) 4.265 6.977 ( 3.991 2.328 2.514) 5.260 7.065 ( -0.051 7.029 1.455) 7.178 7.229 ( -1.850 7.318 4.456) 8.766 7.650 ( 2.531 -8.236 2.560) 8.989 7.947 ( -2.370 4.209 -0.964) 4.925 8.059 ( -1.888 5.992 -0.990) 6.360 8.275 ( 3.034 -8.155 -1.272) 8.793 8.423 ( -0.103 -6.451 2.117) 6.790 8.590 ( -0.710 -3.092 -1.600) 3.554 8.856 ( -1.996 -11.518 -3.854) 12.309 9.058 ( -0.138 -1.036 -2.646) 2.845 9.296 ( 2.085 2.599 0.193) 3.338 9.515 ( -1.494 8.506 2.182) 8.907 9.755 ( -1.787 7.111 4.052) 8.378 9.989 ( 0.540 9.898 2.235) 10.161 10.218 ( -0.430 5.845 -2.370) 6.322 11.619 ( 3.432 -15.012 0.576) 15.410 11.790 ( -7.913 -12.509 -0.243) 14.804 12.580 ( 8.395 -8.957 -4.128) 12.952 12.620 ( -2.187 -9.862 2.264) 10.352 12.857 ( 2.072 -1.669 -1.481) 3.044 13.833 ( 3.556 7.318 3.349) 8.798 13.901 ( 0.286 11.158 -8.717) 14.162 14.333 ( 2.013 -7.870 5.702) 9.925 14.624 ( -6.963 15.726 15.207) 22.957 15.416 ( -18.819 -5.428 -9.161) 21.623 15.932 ( 13.996 16.985 -4.311) 22.427 16.232 ( 1.066 3.162 -4.253) 5.406 17.032 ( -0.723 3.488 3.798) 5.207 ======================= Grid point 153 (70/172) ======================= q-point: (-0.20 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -6.443 -3.414 -10.296) 12.616 1.935 ( -4.574 2.269 8.021) 9.508 2.235 ( 3.046 -2.072 -13.411) 13.908 2.426 ( -1.852 -5.280 4.301) 7.057 2.569 ( 1.433 3.013 -3.779) 5.041 2.843 ( 3.890 -2.992 2.656) 5.580 2.999 ( 0.070 -1.114 -0.822) 1.386 3.213 ( 2.847 -2.154 -12.684) 13.177 3.292 ( -4.730 -3.588 4.075) 7.201 3.573 ( 3.690 -5.737 -9.663) 11.828 3.700 ( -1.401 -4.535 -3.794) 6.077 3.883 ( -1.369 -1.877 -7.127) 7.496 4.091 ( -3.025 -13.549 0.170) 13.884 4.172 ( 4.079 -4.329 8.459) 10.341 4.252 ( -3.563 -6.158 4.151) 8.237 4.348 ( -0.409 -8.498 5.382) 10.067 4.583 ( 3.357 -5.028 -0.350) 6.056 4.681 ( 1.557 -1.812 1.776) 2.977 4.764 ( -0.960 -0.896 5.049) 5.217 4.945 ( 3.066 -0.709 0.276) 3.159 5.064 ( 1.790 7.128 -0.615) 7.375 5.176 ( -0.626 0.239 6.285) 6.320 5.370 ( 3.431 -3.618 5.841) 7.680 5.528 ( -1.060 1.626 -3.301) 3.829 5.671 ( -0.759 1.247 -3.981) 4.240 6.071 ( -4.928 -1.291 -2.706) 5.769 6.155 ( 2.250 1.660 2.443) 3.713 6.259 ( 0.424 -0.109 4.636) 4.656 6.428 ( -0.806 -4.422 -8.035) 9.207 6.539 ( 2.600 2.214 -2.525) 4.246 6.771 ( -3.760 5.058 1.105) 6.398 6.966 ( -0.060 3.601 4.290) 5.601 7.029 ( 4.576 -0.769 -3.812) 6.005 7.166 ( -3.098 -1.396 6.503) 7.338 7.755 ( -0.066 0.914 4.737) 4.825 7.874 ( 3.286 3.512 -0.797) 4.875 7.991 ( -1.047 -2.980 -1.100) 3.344 8.435 ( 1.175 -6.645 -1.743) 6.969 8.510 ( 0.516 -2.628 0.547) 2.733 8.616 ( -1.086 -1.175 -2.215) 2.733 9.030 ( -2.008 -9.408 -2.650) 9.978 9.089 ( -0.644 -2.945 -2.296) 3.790 9.241 ( 1.640 5.048 -0.841) 5.374 9.363 ( -1.286 7.464 3.312) 8.266 9.650 ( -1.329 3.096 5.469) 6.424 9.827 ( 0.643 8.012 2.432) 8.397 10.141 ( 0.334 2.079 -2.971) 3.642 11.895 ( 3.495 -4.154 -6.591) 8.538 11.926 ( -7.720 -16.059 7.006) 19.146 12.672 ( 1.595 1.485 -1.275) 2.525 12.812 ( -0.415 -11.448 2.485) 11.722 13.084 ( 13.575 -14.046 -3.416) 19.830 13.641 ( 0.588 14.004 -10.763) 17.672 13.783 ( 1.264 -0.047 3.759) 3.966 14.231 ( -4.349 20.526 14.106) 25.283 14.480 ( -2.272 -1.237 7.349) 7.791 15.017 ( -20.248 16.947 -5.930) 27.062 16.033 ( 10.847 -5.974 -6.124) 13.815 16.207 ( 2.137 -0.228 -6.818) 7.149 16.991 ( -0.387 1.111 4.800) 4.942 ======================= Grid point 154 (71/172) ======================= q-point: (-0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -2.081 0.329 -7.937) 8.212 1.845 ( 0.417 6.139 11.312) 12.877 2.285 ( 3.704 -1.648 -15.159) 15.692 2.494 ( -2.167 -1.551 4.602) 5.318 2.526 ( 1.264 2.605 -2.669) 3.938 2.884 ( 2.370 1.223 2.492) 3.650 2.930 ( 2.309 5.096 -4.504) 7.183 3.273 ( 2.053 0.415 -5.403) 5.795 3.329 ( -9.535 -9.482 -0.788) 13.470 3.665 ( -0.780 -0.699 -8.711) 8.773 3.724 ( 5.403 -0.611 -5.650) 7.841 3.899 ( -0.731 -0.039 -5.660) 5.707 4.210 ( 3.435 5.331 7.058) 9.488 4.223 ( -2.983 -3.770 7.714) 9.090 4.299 ( -2.772 -0.755 2.615) 3.885 4.534 ( -0.194 -7.490 1.851) 7.718 4.617 ( 0.888 2.118 -2.191) 3.174 4.697 ( -1.350 0.505 2.646) 3.013 4.791 ( 0.486 -0.901 3.481) 3.629 4.921 ( -1.309 4.813 0.507) 5.014 4.995 ( 4.855 1.342 -0.373) 5.051 5.156 ( -2.632 0.782 2.388) 3.639 5.454 ( -4.625 -0.901 -3.538) 5.893 5.527 ( 9.871 -2.361 6.125) 11.854 5.686 ( 2.840 -1.695 0.985) 3.451 5.982 ( -5.673 3.405 2.629) 7.120 6.149 ( -0.458 1.417 -3.844) 4.123 6.237 ( 1.428 2.245 -2.116) 3.399 6.468 ( -1.018 -2.815 -8.468) 8.981 6.526 ( 1.864 3.132 2.098) 4.206 6.725 ( -0.846 -2.033 1.582) 2.711 6.915 ( -1.015 1.692 2.884) 3.494 7.032 ( -2.009 0.953 -3.150) 3.856 7.217 ( -1.828 -4.936 5.172) 7.380 7.737 ( -2.202 -1.983 1.057) 3.146 7.840 ( 2.307 1.782 4.321) 5.212 8.100 ( 4.626 -3.770 0.465) 5.986 8.473 ( -5.617 -0.219 2.564) 6.178 8.549 ( 4.944 1.645 -5.195) 7.358 8.627 ( -0.420 -0.922 -1.603) 1.896 9.110 ( 0.766 1.891 -2.747) 3.422 9.125 ( -0.247 1.151 -2.360) 2.637 9.191 ( -0.203 -2.304 1.540) 2.779 9.245 ( -0.983 2.547 2.377) 3.620 9.628 ( -0.822 -0.414 6.533) 6.598 9.747 ( -0.200 0.214 1.452) 1.481 10.138 ( 0.450 -1.356 -3.033) 3.353 11.843 ( -0.089 8.476 -2.683) 8.891 12.176 ( -2.441 -12.133 4.792) 13.272 12.650 ( 0.970 1.145 -0.271) 1.525 12.971 ( 0.079 -1.791 1.451) 2.307 13.299 ( 5.038 3.174 -8.344) 10.250 13.641 ( 13.706 -12.206 -1.859) 18.447 13.863 ( -4.732 -5.235 3.176) 7.738 13.879 ( 1.445 9.832 5.380) 11.301 14.196 ( -11.619 20.100 -2.611) 23.363 14.790 ( -6.576 -1.353 9.835) 11.908 16.129 ( 1.793 -0.802 -4.481) 4.893 16.289 ( 3.106 -4.657 -10.739) 12.111 16.993 ( -0.723 -1.192 4.896) 5.091 ======================= Grid point 160 (72/172) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -7.406 0.000 -14.992) 16.722 1.689 ( 4.094 -0.000 2.559) 4.829 1.844 ( -1.933 0.000 2.329) 3.027 2.096 ( -0.443 0.000 0.898) 1.001 2.215 ( 11.613 -0.000 0.386) 11.620 2.326 ( -10.822 0.000 -1.113) 10.879 2.519 ( 0.248 -0.000 -4.305) 4.312 2.746 ( -4.403 0.000 4.584) 6.356 2.793 ( -3.124 0.000 -3.274) 4.525 2.834 ( 6.097 -0.000 -13.836) 15.120 3.332 ( 3.923 -0.000 2.043) 4.423 3.504 ( -6.007 0.000 -11.224) 12.731 3.679 ( 0.176 -0.000 -1.336) 1.347 3.892 ( -3.808 0.000 5.516) 6.703 4.065 ( 2.328 -0.000 13.745) 13.940 4.150 ( -1.244 0.000 2.141) 2.476 4.643 ( -0.808 0.000 2.525) 2.651 4.789 ( 7.457 -0.000 -1.030) 7.528 4.871 ( -1.142 0.000 0.950) 1.485 4.885 ( -0.369 0.000 -3.989) 4.006 4.933 ( -0.128 0.000 -3.448) 3.451 5.178 ( 1.901 -0.000 -1.895) 2.684 5.335 ( 1.364 -0.000 11.154) 11.237 5.653 ( 3.250 -0.000 6.088) 6.902 5.810 ( 0.464 -0.000 -2.387) 2.431 5.850 ( -0.150 0.000 -7.522) 7.524 6.039 ( -0.925 0.000 6.796) 6.858 6.074 ( -0.771 0.000 -9.171) 9.203 6.238 ( -1.081 0.000 -1.685) 2.002 6.499 ( -1.831 0.000 6.758) 7.002 6.647 ( 0.679 -0.000 1.702) 1.833 7.165 ( -1.090 0.000 -4.021) 4.166 7.206 ( 5.684 -0.000 -0.337) 5.694 7.372 ( -1.070 0.000 -3.461) 3.623 7.833 ( 0.190 -0.000 8.543) 8.545 7.937 ( 1.542 -0.000 -0.657) 1.676 8.021 ( 0.901 -0.000 -0.256) 0.937 8.103 ( -2.367 0.000 -0.304) 2.386 8.114 ( -1.263 0.000 7.522) 7.628 8.485 ( 0.002 -0.000 -2.353) 2.353 8.487 ( -1.157 0.000 -4.171) 4.329 9.095 ( 3.012 -0.000 -3.180) 4.380 9.364 ( 0.899 -0.000 1.502) 1.750 9.840 ( -4.241 0.000 -1.723) 4.578 10.037 ( -0.754 0.000 3.672) 3.748 10.330 ( 0.201 -0.000 1.936) 1.947 10.568 ( -1.130 0.000 -3.146) 3.343 11.063 ( 5.861 -0.000 0.107) 5.862 11.385 ( -7.277 0.000 0.057) 7.278 12.200 ( 5.999 -0.000 -3.648) 7.021 12.326 ( -4.430 0.000 1.986) 4.855 12.964 ( -0.446 0.000 -1.004) 1.099 13.605 ( 0.165 -0.000 7.086) 7.087 14.113 ( 6.535 -0.000 0.850) 6.590 14.490 ( -1.513 0.000 -16.491) 16.560 14.518 ( -0.018 0.000 -4.913) 4.913 15.413 ( -5.124 0.000 22.970) 23.535 16.345 ( -0.066 0.000 -3.596) 3.596 16.701 ( 2.285 -0.000 0.112) 2.288 17.333 ( -2.388 0.000 -4.192) 4.824 ======================= Grid point 161 (73/172) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -7.117 -16.680 -14.929) 23.489 1.790 ( -7.366 -3.434 1.691) 8.301 1.902 ( -0.725 -13.997 3.323) 14.404 2.163 ( -0.716 -7.274 2.516) 7.730 2.288 ( -6.782 -7.531 0.364) 10.141 2.427 ( 11.212 -8.352 -2.578) 14.217 2.563 ( -2.626 -4.246 -11.735) 12.753 2.723 ( -1.730 -1.590 -4.379) 4.970 2.875 ( 0.247 -8.803 4.962) 10.108 2.909 ( -1.819 -10.389 -5.163) 11.743 3.442 ( -0.310 -5.475 -3.785) 6.664 3.478 ( -2.373 -5.025 -7.287) 9.164 3.644 ( -3.717 -0.782 0.125) 3.801 3.914 ( -2.243 -4.458 4.052) 6.429 4.103 ( 2.399 -0.280 9.917) 10.207 4.139 ( 2.733 2.383 4.836) 6.045 4.590 ( 1.544 4.932 1.484) 5.377 4.764 ( 3.803 5.642 -2.761) 7.343 4.829 ( 0.423 3.381 0.572) 3.455 4.893 ( 3.402 0.911 -1.488) 3.823 4.999 ( 1.535 -3.199 2.264) 4.209 5.227 ( 3.068 -3.460 -1.632) 4.904 5.360 ( 1.544 0.924 4.669) 5.004 5.629 ( -1.225 2.878 8.100) 8.682 5.818 ( -0.351 0.659 -4.658) 4.717 5.833 ( -0.085 -0.823 -2.341) 2.483 6.047 ( -0.776 -0.787 -0.926) 1.442 6.097 ( -1.861 -3.824 -5.012) 6.573 6.316 ( 4.805 -6.087 1.639) 7.927 6.486 ( -1.231 0.377 5.669) 5.813 6.693 ( 1.342 -3.649 -0.006) 3.888 7.174 ( 0.106 -0.147 -1.116) 1.131 7.198 ( 6.593 5.247 -0.245) 8.430 7.370 ( -0.534 -1.725 -5.509) 5.797 7.687 ( -0.330 11.986 7.864) 14.339 8.011 ( 2.290 -4.737 0.229) 5.266 8.066 ( -1.299 0.461 4.116) 4.341 8.130 ( -0.772 -6.503 3.891) 7.618 8.164 ( -1.585 -4.071 -0.808) 4.443 8.478 ( -1.526 -1.279 -4.542) 4.959 8.515 ( -0.484 -4.458 -2.720) 5.244 9.099 ( 2.515 1.948 -2.629) 4.127 9.364 ( 1.569 1.258 1.448) 2.478 9.766 ( -3.638 3.992 -1.317) 5.559 9.991 ( -2.067 4.010 2.949) 5.390 10.286 ( 0.388 5.105 2.118) 5.540 10.487 ( -1.547 6.576 -3.123) 7.443 11.172 ( 2.135 -7.572 2.485) 8.251 11.389 ( -5.793 -6.891 -2.865) 9.447 12.298 ( 8.321 -4.596 -3.918) 10.282 12.336 ( -3.096 -4.314 2.595) 5.910 12.928 ( -0.063 2.870 -0.825) 2.987 13.715 ( -0.455 -10.424 7.117) 12.630 14.103 ( 0.606 4.422 3.154) 5.465 14.402 ( 2.179 5.950 -15.280) 16.542 14.639 ( -1.048 -11.224 -5.901) 12.724 15.329 ( -7.172 5.756 19.926) 21.946 16.318 ( -0.242 2.347 -3.837) 4.504 16.639 ( 2.379 9.454 -0.406) 9.757 17.240 ( -2.259 6.534 -3.075) 7.567 ======================= Grid point 162 (74/172) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -6.877 -13.343 -12.147) 19.310 1.782 ( -12.105 -6.679 1.329) 13.889 2.122 ( 0.187 -7.557 3.077) 8.162 2.317 ( -2.697 -3.500 0.615) 4.461 2.467 ( -0.816 -18.001 -1.197) 18.060 2.591 ( -1.816 -3.108 -8.854) 9.558 2.622 ( -0.372 -10.057 -8.023) 12.871 2.854 ( 7.506 -10.823 0.479) 13.180 3.091 ( -2.625 -15.271 0.339) 15.499 3.192 ( -0.433 -18.909 -1.541) 18.977 3.467 ( -7.500 1.573 -1.295) 7.772 3.507 ( -4.219 -8.756 -11.581) 15.119 3.815 ( 2.742 -13.708 2.253) 14.160 3.987 ( 1.482 -2.370 -0.520) 2.843 4.104 ( 2.729 1.340 11.832) 12.217 4.169 ( 4.656 -0.611 5.690) 7.378 4.526 ( 2.835 3.647 1.569) 4.878 4.696 ( 2.617 3.997 -2.741) 5.508 4.772 ( 0.259 2.652 2.044) 3.359 4.906 ( 3.935 0.594 0.438) 4.004 5.067 ( 0.846 -2.979 5.587) 6.388 5.306 ( 2.337 2.140 4.122) 5.200 5.327 ( 2.084 0.132 -7.035) 7.338 5.567 ( -3.535 2.218 2.746) 4.996 5.778 ( -0.328 2.867 -3.433) 4.485 5.882 ( -1.606 -5.356 1.732) 5.854 6.079 ( 2.398 -2.731 -2.074) 4.185 6.161 ( -1.595 -4.714 -3.550) 6.113 6.415 ( 1.391 0.780 6.057) 6.263 6.518 ( 0.972 -4.146 2.832) 5.114 6.784 ( 1.654 -4.492 -4.098) 6.301 7.112 ( 4.316 7.064 4.698) 9.518 7.170 ( 2.545 3.961 -2.689) 5.422 7.387 ( -1.322 6.053 -0.227) 6.200 7.536 ( 1.990 -2.075 3.915) 4.858 8.007 ( -1.741 4.015 2.862) 5.229 8.111 ( -1.732 -1.442 -1.257) 2.581 8.182 ( 2.414 -2.867 0.012) 3.748 8.289 ( 0.277 -8.450 1.716) 8.627 8.507 ( -2.285 -3.930 -3.124) 5.516 8.640 ( -0.781 -9.622 -2.714) 10.027 9.067 ( 0.496 2.276 -2.849) 3.680 9.352 ( 1.917 1.798 0.766) 2.738 9.639 ( -2.452 6.610 0.176) 7.052 9.870 ( -3.074 6.784 2.945) 8.008 10.168 ( 0.854 8.417 2.363) 8.784 10.333 ( -1.393 7.589 -2.613) 8.147 11.357 ( -4.616 -12.903 5.725) 14.852 11.528 ( -0.237 -11.551 -6.856) 13.434 12.432 ( -1.164 -7.970 2.973) 8.586 12.502 ( 10.750 -8.776 -3.807) 14.390 12.880 ( 0.756 2.068 -0.784) 2.337 13.898 ( -2.002 -2.794 4.021) 5.290 14.026 ( -0.933 -0.837 5.716) 5.851 14.283 ( 3.399 6.764 -12.549) 14.655 14.780 ( -3.428 -0.977 6.354) 7.285 15.177 ( -11.625 0.952 4.438) 12.480 16.247 ( 0.574 5.604 -4.509) 7.215 16.408 ( 4.483 16.254 -2.276) 17.014 17.105 ( -1.604 5.309 0.614) 5.580 ======================= Grid point 163 (75/172) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -6.384 -7.733 -9.112) 13.549 1.825 ( -10.677 -7.505 4.544) 13.819 2.223 ( 3.737 -0.532 -7.755) 8.625 2.309 ( -6.106 -5.764 0.566) 8.416 2.576 ( -2.910 -0.309 -4.602) 5.453 2.772 ( 4.608 -10.056 -1.635) 11.181 2.860 ( 2.325 -11.898 -0.691) 12.142 3.129 ( 3.698 -12.060 -0.860) 12.644 3.282 ( -0.559 1.069 -1.623) 2.022 3.393 ( -5.636 -10.210 -9.538) 15.066 3.512 ( -2.191 -15.440 -2.632) 15.815 3.678 ( -6.798 -13.370 -6.703) 16.429 3.950 ( 1.016 -1.676 -0.688) 2.077 4.084 ( 4.353 -4.722 -0.867) 6.481 4.195 ( 4.318 -4.557 16.904) 18.032 4.253 ( 4.709 -4.719 2.828) 7.241 4.535 ( 2.840 -2.258 2.514) 4.414 4.673 ( 1.316 0.370 0.338) 1.408 4.761 ( 1.970 -0.082 3.301) 3.845 4.941 ( 1.973 -1.191 0.581) 2.377 5.125 ( -0.919 -1.671 5.384) 5.711 5.218 ( -0.977 4.815 -0.516) 4.940 5.360 ( 2.141 0.378 -1.945) 2.918 5.530 ( 0.009 -0.666 -2.289) 2.384 5.716 ( 1.628 3.503 -1.217) 4.050 5.964 ( -3.490 -5.127 -1.371) 6.352 6.163 ( 1.181 -2.964 1.593) 3.566 6.223 ( -1.503 -3.870 -0.619) 4.197 6.381 ( -1.408 1.802 4.482) 5.032 6.592 ( 3.342 -0.971 -3.867) 5.202 6.814 ( -2.794 2.328 -4.184) 5.544 7.036 ( 1.914 4.130 6.030) 7.555 7.106 ( 3.935 4.449 -2.102) 6.300 7.209 ( -1.282 7.751 6.931) 10.476 7.722 ( 4.630 -8.808 2.389) 10.234 7.910 ( -1.287 3.435 -1.750) 4.064 8.038 ( 0.158 5.672 -1.997) 6.015 8.310 ( 0.314 -7.027 1.293) 7.151 8.433 ( 1.103 -6.527 -0.591) 6.646 8.558 ( -2.205 -3.653 -1.595) 4.556 8.816 ( -1.633 -10.695 -2.099) 11.021 9.041 ( -1.212 -0.705 -2.653) 3.001 9.326 ( 1.333 2.971 -0.656) 3.321 9.494 ( -1.427 7.527 2.228) 7.978 9.726 ( -2.513 6.058 4.022) 7.694 10.010 ( 1.178 9.963 2.485) 10.336 10.206 ( -0.236 4.999 -2.780) 5.725 11.568 ( -8.707 -15.843 5.680) 18.949 11.761 ( 4.357 -12.029 -7.276) 14.718 12.606 ( 0.613 -10.800 2.883) 11.196 12.704 ( 5.027 -1.528 -1.289) 5.410 12.953 ( 9.849 -10.143 -2.652) 14.384 13.781 ( -4.372 6.831 -1.366) 8.224 13.969 ( 2.165 11.854 -0.451) 12.059 14.334 ( -1.677 -8.271 0.429) 8.450 14.586 ( -1.069 15.846 18.089) 24.072 15.019 ( -23.738 5.557 -8.417) 25.792 16.134 ( 8.539 5.967 -4.706) 11.431 16.263 ( 5.180 4.758 -4.867) 8.553 17.025 ( -1.139 2.724 2.945) 4.170 ======================= Grid point 164 (76/172) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -2.368 -5.613 -7.844) 9.932 1.860 ( -6.418 -3.617 10.769) 13.048 2.232 ( -1.093 -2.562 -16.775) 17.005 2.414 ( 1.438 -5.426 3.976) 6.879 2.551 ( -2.136 0.040 -3.457) 4.064 2.920 ( 4.258 -1.359 2.902) 5.329 3.019 ( 1.390 -4.126 -1.904) 4.752 3.135 ( -8.343 3.137 -2.885) 9.368 3.308 ( 6.790 -1.499 -6.053) 9.219 3.570 ( -1.514 -7.409 -10.947) 13.305 3.727 ( 3.657 -6.832 0.624) 7.774 3.771 ( -6.661 -8.266 -8.605) 13.665 4.119 ( 1.514 -12.428 1.894) 12.662 4.147 ( -1.767 -2.808 -0.288) 3.331 4.315 ( 5.222 -1.108 12.106) 13.231 4.398 ( 4.145 -5.787 6.547) 9.672 4.621 ( 0.259 -2.996 -0.030) 3.007 4.697 ( 0.815 -0.559 2.863) 3.029 4.796 ( 2.767 -0.915 4.160) 5.079 4.966 ( -0.789 0.142 0.384) 0.889 5.066 ( -1.324 4.190 -2.914) 5.273 5.168 ( -1.582 1.673 5.149) 5.640 5.372 ( -2.475 -2.234 -2.040) 3.909 5.578 ( 5.893 -1.897 -2.550) 6.695 5.702 ( 4.392 0.743 3.305) 5.547 5.976 ( -5.862 0.481 1.009) 5.968 6.149 ( -3.460 1.586 -2.253) 4.423 6.267 ( -0.694 -1.396 2.804) 3.209 6.394 ( -0.843 -3.014 -4.618) 5.579 6.572 ( 1.927 3.352 -5.345) 6.597 6.737 ( 0.085 1.324 0.815) 1.557 6.975 ( 0.166 4.598 5.312) 7.028 7.058 ( -1.239 3.793 -3.220) 5.127 7.163 ( 2.393 -1.146 6.631) 7.142 7.741 ( -1.873 3.629 2.637) 4.862 7.935 ( 1.699 5.796 1.195) 6.157 8.025 ( 6.161 -9.040 -2.209) 11.161 8.394 ( -4.947 -3.429 2.142) 6.389 8.546 ( 0.662 -5.165 -4.423) 6.832 8.594 ( 1.270 -1.254 -0.829) 1.968 8.985 ( -2.494 -9.797 -1.601) 10.235 9.071 ( -0.879 -3.435 -1.703) 3.933 9.266 ( 1.500 4.484 -0.986) 4.830 9.347 ( -1.334 7.512 2.697) 8.092 9.637 ( -1.422 2.212 5.617) 6.202 9.846 ( 0.768 8.674 2.299) 9.006 10.144 ( 0.815 1.803 -3.153) 3.723 11.771 ( -7.850 -12.385 2.357) 14.852 11.996 ( 6.050 -9.169 -3.061) 11.404 12.678 ( -0.264 2.315 -1.364) 2.699 12.845 ( 3.033 -11.063 4.155) 12.200 13.323 ( 12.391 -12.893 -5.394) 18.678 13.622 ( 1.991 5.059 -6.594) 8.547 13.797 ( -3.178 3.737 6.945) 8.503 14.158 ( -3.534 17.799 4.839) 18.780 14.438 ( -10.551 16.202 -0.644) 19.346 14.687 ( -10.937 -2.465 6.853) 13.140 16.143 ( 2.561 0.866 -4.433) 5.193 16.281 ( 8.534 -0.213 -8.630) 12.138 16.987 ( -1.290 0.807 3.840) 4.131 ======================= Grid point 171 (77/172) ======================= q-point: (-0.40 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -7.577 0.000 -16.923) 18.542 1.686 ( -15.761 0.000 0.552) 15.770 1.713 ( -2.847 0.000 3.798) 4.746 2.057 ( -3.452 0.000 -0.305) 3.466 2.168 ( -4.136 0.000 1.283) 4.331 2.461 ( 13.990 -0.000 -3.628) 14.453 2.514 ( -0.781 0.000 -12.222) 12.247 2.681 ( -5.004 0.000 4.075) 6.453 2.753 ( -0.573 0.000 -3.521) 3.567 2.788 ( -8.714 0.000 2.845) 9.167 3.399 ( 2.213 -0.000 2.268) 3.168 3.404 ( -1.164 0.000 -15.905) 15.947 3.597 ( -6.934 0.000 0.033) 6.934 3.843 ( -2.080 0.000 8.595) 8.843 4.138 ( 4.731 -0.000 7.723) 9.057 4.214 ( 6.510 -0.000 1.753) 6.742 4.641 ( 0.377 -0.000 -0.231) 0.442 4.876 ( 0.458 -0.000 -5.512) 5.531 4.892 ( 1.841 -0.000 1.386) 2.305 4.937 ( 7.534 -0.000 2.048) 7.807 4.949 ( 2.658 -0.000 -2.212) 3.458 5.232 ( 5.014 -0.000 -1.929) 5.373 5.382 ( 0.957 -0.000 11.792) 11.831 5.680 ( -2.120 0.000 7.277) 7.579 5.805 ( -2.748 0.000 -8.780) 9.200 5.806 ( -0.549 0.000 -1.761) 1.845 6.035 ( -0.666 0.000 -6.856) 6.888 6.043 ( 0.123 -0.000 6.224) 6.225 6.308 ( 8.949 -0.000 -0.476) 8.962 6.498 ( 0.341 -0.000 1.544) 1.581 6.662 ( 0.490 -0.000 2.173) 2.228 7.161 ( 1.787 -0.000 -4.820) 5.141 7.309 ( 3.538 -0.000 4.526) 5.745 7.367 ( 3.551 -0.000 -5.747) 6.756 7.865 ( 0.630 -0.000 10.829) 10.847 7.939 ( -1.550 0.000 -2.403) 2.860 8.028 ( -0.591 0.000 2.521) 2.590 8.071 ( -0.319 0.000 -1.440) 1.475 8.113 ( -0.642 0.000 7.606) 7.633 8.454 ( -1.164 0.000 -6.001) 6.113 8.465 ( -1.626 0.000 -2.375) 2.878 9.145 ( 3.359 -0.000 -2.518) 4.198 9.391 ( 1.779 -0.000 0.948) 2.016 9.769 ( -3.492 0.000 -0.732) 3.568 10.009 ( -3.224 0.000 1.490) 3.552 10.339 ( 0.405 -0.000 2.510) 2.542 10.532 ( -2.066 0.000 -3.942) 4.451 11.097 ( -4.406 0.000 5.879) 7.347 11.289 ( -0.956 0.000 -6.932) 6.997 12.276 ( -1.536 0.000 2.889) 3.272 12.327 ( 8.956 -0.000 -3.235) 9.522 12.957 ( 0.021 -0.000 -1.318) 1.319 13.608 ( -1.624 0.000 7.397) 7.574 14.121 ( -5.352 0.000 1.805) 5.648 14.461 ( -5.221 0.000 -5.239) 7.396 14.530 ( 9.704 -0.000 -15.764) 18.512 15.345 ( -8.343 0.000 22.147) 23.666 16.331 ( -0.546 0.000 -3.368) 3.412 16.741 ( 2.264 -0.000 1.710) 2.837 17.279 ( -2.780 0.000 -6.194) 6.789 ======================= Grid point 172 (78/172) ======================= q-point: (-0.30 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -5.692 -17.985 -12.978) 22.898 1.552 ( -18.206 -3.465 0.610) 18.543 1.859 ( -5.519 -16.440 4.296) 17.866 2.139 ( -3.704 -11.602 -0.895) 12.212 2.224 ( -1.009 -6.321 -0.893) 6.463 2.438 ( -10.123 -2.459 -13.217) 16.828 2.588 ( 5.939 -0.594 -2.391) 6.429 2.725 ( -0.229 -10.300 1.606) 10.427 2.820 ( -0.378 -7.580 7.957) 10.996 2.881 ( 0.287 -13.006 -3.490) 13.469 3.378 ( -2.269 -0.773 -15.837) 16.017 3.423 ( -6.855 -0.957 -0.050) 6.922 3.624 ( 1.913 -8.762 3.172) 9.513 3.901 ( 1.659 -4.794 8.612) 9.995 4.205 ( 6.500 -0.965 4.635) 8.042 4.240 ( 6.838 3.755 2.748) 8.271 4.617 ( 1.242 2.892 -1.123) 3.342 4.805 ( 1.851 5.985 -3.258) 7.062 4.840 ( 0.459 4.115 0.126) 4.143 4.980 ( 5.531 -0.713 -1.524) 5.782 5.038 ( 2.366 0.106 3.775) 4.457 5.292 ( 4.353 -3.295 -4.610) 7.145 5.388 ( 0.231 2.405 6.753) 7.172 5.597 ( -3.620 4.120 6.275) 8.334 5.774 ( -2.773 -1.109 -7.339) 7.924 5.839 ( 0.245 -1.387 1.738) 2.238 6.051 ( -0.091 -1.816 1.754) 2.527 6.072 ( 2.090 -2.557 -5.332) 6.272 6.434 ( 7.504 -3.261 4.144) 9.172 6.475 ( -1.624 1.202 2.835) 3.482 6.723 ( 2.547 -4.278 -2.579) 5.607 7.196 ( 2.867 -0.561 -2.503) 3.847 7.322 ( 5.769 2.880 3.922) 7.547 7.362 ( 2.479 1.215 -6.180) 6.769 7.690 ( -1.617 11.944 8.503) 14.750 8.010 ( -3.220 -4.246 1.325) 5.491 8.067 ( 0.985 1.262 3.854) 4.173 8.127 ( -0.036 -8.193 2.057) 8.447 8.155 ( 0.404 -3.877 0.860) 3.992 8.436 ( -1.480 -0.687 -6.568) 6.768 8.498 ( -1.074 -5.279 -0.890) 5.460 9.134 ( 2.016 3.645 -3.224) 5.267 9.396 ( 1.842 1.165 -0.014) 2.180 9.709 ( -2.641 3.467 0.617) 4.402 9.940 ( -4.380 3.923 1.051) 5.973 10.301 ( 0.744 4.841 2.869) 5.676 10.445 ( -2.261 6.215 -3.527) 7.495 11.115 ( -8.644 -7.481 6.141) 12.977 11.357 ( 2.468 -7.311 -7.908) 11.049 12.315 ( -0.054 -4.606 3.520) 5.797 12.459 ( 10.933 -5.603 -3.287) 12.717 12.928 ( 0.289 2.577 -1.081) 2.809 13.715 ( -1.286 -11.380 6.918) 13.379 14.033 ( -6.640 3.603 0.440) 7.568 14.411 ( -2.826 2.036 -7.092) 7.901 14.637 ( 4.638 -5.925 -9.569) 12.173 15.226 ( -9.018 7.264 19.503) 22.682 16.304 ( -0.369 2.100 -3.271) 3.905 16.682 ( 2.608 9.217 0.537) 9.594 17.187 ( -3.057 5.401 -4.733) 7.805 ======================= Grid point 173 (79/172) ======================= q-point: (-0.20 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -5.342 -12.335 -7.678) 15.481 1.537 ( -15.715 -10.817 1.808) 19.163 2.075 ( -12.880 -10.343 0.689) 16.533 2.224 ( 0.845 -4.176 -3.644) 5.606 2.451 ( -2.134 -22.765 -5.049) 23.416 2.548 ( 1.419 -3.023 -3.964) 5.183 2.659 ( 2.658 -11.386 0.669) 11.711 2.979 ( 5.338 -11.065 -2.004) 12.447 3.017 ( -4.524 -15.639 3.355) 16.623 3.162 ( -1.588 -16.632 -3.637) 17.099 3.323 ( -7.874 1.309 -2.141) 8.264 3.427 ( -1.646 -7.419 -9.807) 12.407 3.868 ( 2.652 -11.365 4.538) 12.521 4.037 ( 4.827 -5.679 2.111) 7.746 4.218 ( 5.190 2.927 7.643) 9.691 4.282 ( 7.585 -0.096 1.132) 7.670 4.570 ( 1.718 2.981 0.845) 3.543 4.722 ( 0.591 3.739 -0.285) 3.796 4.795 ( 2.146 1.358 -0.287) 2.555 4.986 ( 3.812 3.710 4.063) 6.693 5.071 ( -0.339 -2.901 0.498) 2.963 5.287 ( -3.096 4.405 -3.490) 6.416 5.403 ( 5.539 0.029 1.627) 5.772 5.515 ( -2.519 1.129 -1.345) 3.071 5.783 ( 0.728 -0.211 -3.844) 3.918 5.854 ( -1.501 -2.020 4.631) 5.271 6.105 ( -0.709 -3.629 -0.080) 3.698 6.137 ( 1.240 -3.332 -5.223) 6.318 6.419 ( -2.641 2.475 6.344) 7.304 6.556 ( 2.320 -3.984 3.822) 5.988 6.805 ( 2.290 -1.820 -7.066) 7.647 7.172 ( 1.733 5.200 2.001) 5.835 7.237 ( 4.632 8.437 0.032) 9.625 7.384 ( 0.799 7.639 4.152) 8.731 7.589 ( 3.633 -6.697 1.879) 7.848 7.981 ( -1.819 4.154 1.749) 4.861 8.082 ( -0.982 -1.340 -0.950) 1.914 8.221 ( 1.249 -3.079 2.788) 4.337 8.299 ( 0.793 -8.700 -1.644) 8.889 8.452 ( -2.298 -4.119 -3.718) 6.006 8.631 ( -0.151 -8.961 0.429) 8.973 9.054 ( -1.432 3.964 -3.511) 5.486 9.380 ( 1.283 2.062 -1.148) 2.686 9.605 ( -1.803 5.850 1.659) 6.342 9.812 ( -4.000 5.622 2.721) 7.417 10.193 ( 1.415 8.248 2.622) 8.769 10.301 ( -1.473 6.402 -2.878) 7.173 11.232 ( -8.859 -12.943 4.429) 16.298 11.560 ( 3.811 -12.320 -6.610) 14.491 12.445 ( 1.752 -8.316 3.506) 9.193 12.689 ( 10.790 -7.307 -2.413) 13.253 12.903 ( 2.442 -1.027 -1.342) 2.969 13.867 ( -2.354 5.211 0.513) 5.741 13.968 ( -4.878 -10.137 4.508) 12.119 14.302 ( -1.728 5.118 -4.053) 6.753 14.738 ( -2.688 -1.674 -3.383) 4.634 14.982 ( -10.156 12.064 11.671) 19.618 16.246 ( 0.319 3.566 -3.434) 4.961 16.492 ( 5.857 12.492 -3.455) 14.223 17.072 ( -2.351 3.789 -0.112) 4.461 ======================= Grid point 174 (80/172) ======================= q-point: (-0.10 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -3.556 -9.481 -6.131) 11.838 1.638 ( -11.740 -12.024 7.570) 18.431 2.088 ( -11.943 -7.180 -10.732) 17.589 2.371 ( 8.415 -4.175 2.211) 9.650 2.531 ( -1.333 1.198 -1.348) 2.242 2.845 ( 4.651 -15.500 -3.415) 16.539 2.898 ( 1.010 -7.169 -2.804) 7.764 3.130 ( -3.473 -4.351 2.891) 6.273 3.244 ( -1.929 -4.712 -8.397) 9.819 3.325 ( -1.940 -17.000 -4.994) 17.824 3.437 ( -2.733 -16.298 -3.484) 16.889 3.597 ( -1.124 -10.352 -2.188) 10.641 3.973 ( 1.731 -0.816 0.614) 2.010 4.172 ( 5.469 -2.188 -3.371) 6.787 4.315 ( 4.298 -6.223 15.151) 16.934 4.359 ( 6.699 -2.004 0.551) 7.014 4.578 ( 1.495 -2.279 3.230) 4.226 4.685 ( 0.348 -0.040 2.152) 2.180 4.823 ( 3.520 -0.601 1.685) 3.948 4.957 ( -0.820 1.364 3.081) 3.468 5.095 ( -2.271 0.981 -0.237) 2.485 5.177 ( -3.120 2.195 -2.435) 4.526 5.371 ( -0.081 3.565 -1.051) 3.717 5.558 ( 3.250 -3.562 -4.302) 6.462 5.782 ( 5.215 2.005 2.479) 6.112 5.901 ( -3.814 -3.939 0.856) 5.550 6.125 ( -5.860 -0.230 -2.876) 6.532 6.201 ( -0.436 -3.712 -1.531) 4.039 6.356 ( -2.846 1.045 6.432) 7.111 6.641 ( 3.157 -1.880 -3.560) 5.116 6.762 ( -1.893 5.094 -4.249) 6.898 7.076 ( 0.772 5.216 4.389) 6.860 7.157 ( 3.423 5.839 -3.600) 7.666 7.245 ( 3.046 6.499 11.047) 13.174 7.785 ( 1.026 -2.604 2.927) 4.050 7.915 ( 3.042 -2.830 -4.326) 5.998 8.059 ( 2.781 4.029 -1.657) 5.169 8.284 ( -3.781 -4.031 4.241) 6.966 8.423 ( -2.291 -6.269 -5.238) 8.484 8.551 ( 2.231 -5.838 0.968) 6.324 8.787 ( -1.621 -8.880 -0.381) 9.035 9.005 ( -2.189 -1.572 -1.770) 3.224 9.341 ( 0.938 3.017 -1.927) 3.701 9.472 ( -1.773 7.200 1.914) 7.658 9.694 ( -2.045 4.578 5.002) 7.082 10.034 ( 0.791 10.248 1.654) 10.411 10.203 ( 0.737 3.869 -2.805) 4.835 11.433 ( -7.339 -15.949 2.445) 17.726 11.832 ( 4.967 -13.458 -4.407) 15.007 12.642 ( 2.528 -9.570 2.056) 10.109 12.763 ( 2.441 1.462 1.321) 3.137 13.141 ( 10.968 -15.642 -3.372) 19.399 13.719 ( -2.073 6.360 -2.823) 7.260 13.909 ( -8.782 9.563 4.601) 13.775 14.327 ( 0.234 -2.614 -2.976) 3.968 14.591 ( -19.559 9.589 -5.658) 22.506 14.658 ( 1.673 13.456 16.879) 21.651 16.189 ( 1.085 2.715 -3.832) 4.820 16.402 ( 10.238 4.907 -7.582) 13.652 17.004 ( -1.815 2.070 2.690) 3.849 ======================= Grid point 182 (81/172) ======================= q-point: (-0.30 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -8.665 0.000 -13.892) 16.373 1.349 ( -22.372 0.000 0.239) 22.373 1.631 ( -6.080 0.000 2.199) 6.466 1.994 ( -3.174 0.000 -1.273) 3.420 2.158 ( 1.219 -0.000 0.661) 1.387 2.202 ( -30.922 0.000 -3.599) 31.131 2.634 ( 1.450 -0.000 0.497) 1.533 2.678 ( 12.079 -0.000 -6.268) 13.609 2.756 ( 1.775 -0.000 -2.127) 2.771 2.787 ( 4.115 -0.000 7.771) 8.793 3.344 ( -1.956 0.000 -16.399) 16.515 3.347 ( -7.614 0.000 -0.227) 7.617 3.557 ( 1.591 -0.000 3.982) 4.288 3.903 ( 6.199 -0.000 10.357) 12.071 4.258 ( 6.857 -0.000 2.805) 7.409 4.335 ( 6.410 -0.000 1.695) 6.631 4.640 ( -0.127 0.000 -3.968) 3.970 4.875 ( 0.766 -0.000 -5.731) 5.782 4.895 ( -1.383 0.000 0.924) 1.663 5.010 ( 4.669 -0.000 -1.640) 4.949 5.075 ( 7.713 -0.000 5.120) 9.258 5.297 ( 1.892 -0.000 -8.569) 8.776 5.409 ( -1.037 0.000 11.459) 11.506 5.636 ( -3.751 0.000 6.423) 7.438 5.722 ( -3.784 0.000 -7.921) 8.779 5.783 ( -1.643 0.000 -1.138) 1.999 6.053 ( 3.634 -0.000 -3.266) 4.885 6.082 ( 2.974 -0.000 5.734) 6.459 6.447 ( 0.601 -0.000 7.521) 7.545 6.554 ( 11.137 -0.000 -10.084) 15.024 6.671 ( -0.066 0.000 1.980) 1.981 7.205 ( 4.527 -0.000 -5.018) 6.758 7.315 ( -0.798 0.000 -2.640) 2.758 7.493 ( 8.351 -0.000 4.941) 9.703 7.870 ( -5.125 0.000 -4.235) 6.648 7.884 ( -1.557 0.000 11.095) 11.203 8.013 ( -1.819 0.000 2.716) 3.269 8.090 ( 2.274 -0.000 0.239) 2.286 8.135 ( 1.354 -0.000 8.754) 8.858 8.423 ( -2.494 0.000 -2.130) 3.280 8.427 ( -0.188 0.000 -6.723) 6.725 9.195 ( 3.081 -0.000 -4.385) 5.359 9.423 ( 1.819 -0.000 -1.668) 2.468 9.723 ( -1.940 0.000 3.023) 3.592 9.934 ( -5.348 0.000 -0.605) 5.382 10.356 ( 0.716 -0.000 3.175) 3.255 10.484 ( -2.261 0.000 -4.196) 4.766 10.969 ( -9.864 0.000 5.513) 11.300 11.298 ( 2.122 -0.000 -7.723) 8.009 12.278 ( 0.922 -0.000 3.785) 3.895 12.493 ( 10.722 -0.000 -2.653) 11.045 12.958 ( 0.319 -0.000 -1.907) 1.934 13.585 ( -2.600 0.000 6.861) 7.337 14.015 ( -5.409 0.000 -0.269) 5.416 14.320 ( -9.526 0.000 -5.157) 10.832 14.666 ( 6.731 -0.000 -8.080) 10.516 15.250 ( -6.746 0.000 19.916) 21.028 16.316 ( -0.367 0.000 -2.635) 2.660 16.789 ( 2.736 -0.000 3.055) 4.101 17.203 ( -4.405 0.000 -8.610) 9.672 ======================= Grid point 183 (82/172) ======================= q-point: (-0.20 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -5.485 -21.084 -7.506) 23.043 1.207 ( -21.358 -7.003 0.447) 22.481 1.751 ( -8.682 -14.093 1.604) 16.631 1.912 ( -23.079 -8.917 -0.111) 24.742 2.168 ( -2.472 -13.218 -2.809) 13.737 2.316 ( 0.216 -15.756 0.708) 15.773 2.625 ( 1.648 1.650 -1.565) 2.809 2.782 ( 4.777 -3.536 0.748) 5.991 2.893 ( 1.674 -11.215 -2.111) 11.534 2.914 ( 6.488 -7.099 -0.201) 9.619 3.274 ( -6.439 0.771 -4.360) 7.814 3.331 ( -0.396 -2.114 -8.340) 8.613 3.677 ( 2.240 -10.265 5.182) 11.715 4.008 ( 7.234 -3.228 8.174) 11.383 4.305 ( 3.644 1.453 -0.092) 3.925 4.369 ( 7.141 1.548 1.783) 7.521 4.623 ( 0.164 1.313 -3.698) 3.928 4.818 ( 0.186 5.856 -1.412) 6.027 4.848 ( 1.107 2.675 0.101) 2.897 5.038 ( 1.903 -0.164 -1.913) 2.703 5.115 ( 4.366 4.223 3.560) 7.041 5.299 ( -1.617 -0.443 -6.472) 6.686 5.419 ( 0.899 -1.883 5.897) 6.256 5.553 ( -2.185 4.396 0.819) 4.977 5.710 ( -2.326 -2.254 -1.990) 3.801 5.836 ( -0.741 -4.044 1.261) 4.301 6.077 ( 2.615 0.748 2.013) 3.384 6.119 ( 3.402 -0.728 -3.603) 5.009 6.425 ( -4.930 1.254 0.419) 5.105 6.559 ( 4.565 1.881 6.863) 8.454 6.779 ( 5.574 -4.174 -7.712) 10.390 7.239 ( 1.728 1.537 -3.302) 4.031 7.370 ( 4.169 -7.111 -5.892) 10.132 7.465 ( 4.955 9.713 5.114) 12.044 7.678 ( -1.070 9.924 10.003) 14.131 7.938 ( -5.005 -4.253 0.094) 6.568 8.077 ( -1.100 -1.210 4.901) 5.167 8.144 ( 1.512 -5.355 0.515) 5.588 8.183 ( 2.433 -4.069 2.634) 5.424 8.410 ( 0.207 0.692 -5.874) 5.919 8.478 ( -0.956 -7.437 0.808) 7.541 9.144 ( -0.185 6.487 -5.083) 8.243 9.421 ( 1.295 1.382 -2.880) 3.447 9.679 ( -1.760 3.638 3.487) 5.338 9.856 ( -5.005 3.063 1.088) 5.968 10.323 ( 0.972 4.277 3.290) 5.483 10.399 ( -2.028 5.992 -3.551) 7.254 10.969 ( -8.662 -8.008 3.724) 12.370 11.387 ( 2.401 -8.390 -6.266) 10.744 12.344 ( 2.302 -5.074 3.627) 6.649 12.648 ( 11.349 -6.533 -2.327) 13.301 12.930 ( 0.124 2.248 -1.649) 2.791 13.704 ( -1.509 -12.762 4.374) 13.575 13.942 ( -2.499 3.946 0.147) 4.673 14.264 ( -11.327 -2.299 -3.197) 11.992 14.691 ( 0.425 -0.192 -4.427) 4.452 15.154 ( -2.151 8.189 15.979) 18.084 16.293 ( -0.070 1.938 -2.390) 3.078 16.731 ( 2.923 9.036 -0.583) 9.515 17.110 ( -4.462 3.423 -4.809) 7.400 ======================= Grid point 184 (83/172) ======================= q-point: (-0.10 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -7.161 -12.656 -3.256) 14.902 1.281 ( -13.961 -15.283 4.889) 21.270 1.775 ( -17.283 -11.170 -2.641) 20.747 2.274 ( 1.754 -26.123 2.472) 26.298 2.423 ( 1.512 -16.355 -4.859) 17.129 2.577 ( 2.091 2.004 -1.174) 3.125 2.698 ( 1.737 -17.912 0.197) 17.997 2.906 ( -7.444 -11.313 -2.313) 13.738 3.074 ( 5.905 -6.037 -7.435) 11.252 3.129 ( -1.154 -11.536 -1.633) 11.708 3.218 ( -3.076 -1.687 -0.657) 3.569 3.443 ( 4.804 -8.418 -3.112) 10.180 3.916 ( 1.065 -10.662 7.004) 12.802 4.126 ( 4.149 -3.365 -1.183) 5.471 4.299 ( 3.581 -0.201 2.386) 4.308 4.417 ( 6.922 0.639 2.007) 7.235 4.587 ( 0.201 1.663 0.148) 1.681 4.724 ( 0.143 3.750 0.415) 3.776 4.838 ( 2.416 0.400 -0.166) 2.455 4.985 ( -4.320 2.272 2.561) 5.512 5.117 ( 4.729 1.655 -0.452) 5.030 5.218 ( -3.498 5.030 -1.803) 6.387 5.454 ( -2.012 3.982 -1.847) 4.829 5.512 ( 3.990 -3.160 0.330) 5.101 5.755 ( -2.158 -5.324 -2.870) 6.421 5.873 ( 1.545 0.578 3.844) 4.183 6.064 ( -3.818 0.386 -3.095) 4.930 6.156 ( 1.644 -1.547 -3.496) 4.162 6.360 ( -5.501 1.295 7.375) 9.292 6.600 ( 1.415 -2.572 4.432) 5.316 6.827 ( 2.183 2.004 -10.214) 10.635 7.179 ( -0.833 4.914 -2.299) 5.488 7.314 ( 4.215 8.273 3.480) 9.916 7.440 ( 3.865 8.341 8.609) 12.595 7.668 ( 4.698 -8.736 0.307) 9.924 7.948 ( -2.265 0.729 -0.962) 2.567 8.077 ( 0.402 -1.306 1.056) 1.727 8.234 ( -0.390 -2.536 4.197) 4.919 8.296 ( -0.384 -3.828 -4.775) 6.132 8.438 ( 1.463 -6.419 -1.356) 6.722 8.634 ( 0.232 -8.161 2.378) 8.503 8.998 ( -4.311 4.482 -1.967) 6.522 9.394 ( 1.099 2.224 -3.133) 3.996 9.574 ( -2.708 5.730 1.477) 6.508 9.761 ( -2.407 3.997 4.609) 6.559 10.222 ( 0.880 9.239 0.873) 9.321 10.277 ( -0.197 4.075 -1.915) 4.507 11.105 ( -6.302 -13.384 1.434) 14.862 11.613 ( 3.679 -13.566 -3.638) 14.519 12.498 ( 3.145 -8.545 2.960) 9.575 12.823 ( 4.282 0.855 -0.244) 4.374 12.969 ( 5.763 -10.103 -2.621) 11.923 13.802 ( -4.956 3.847 -0.374) 6.285 13.929 ( -0.514 -1.613 -0.096) 1.696 14.185 ( -10.662 -3.645 3.035) 11.669 14.625 ( -7.008 5.556 -5.037) 10.264 14.966 ( 3.160 14.217 13.038) 19.547 16.244 ( 0.288 2.982 -2.703) 4.035 16.586 ( 5.977 7.835 -7.950) 12.662 17.031 ( -2.081 2.219 2.332) 3.833 ======================= Grid point 193 (84/172) ======================= q-point: (-0.20 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -12.286 0.000 -6.628) 13.960 0.934 ( -25.648 0.000 -0.620) 25.655 1.536 ( -4.838 0.000 -2.011) 5.240 1.612 ( -36.025 0.000 12.755) 38.216 1.962 ( -0.002 0.000 -0.904) 0.904 2.171 ( -0.382 0.000 -1.112) 1.176 2.678 ( 3.769 -0.000 -1.859) 4.203 2.774 ( 2.943 -0.000 -5.327) 6.086 2.857 ( 0.017 -0.000 2.366) 2.366 2.879 ( 10.862 -0.000 -3.350) 11.366 3.220 ( -6.314 0.000 -0.222) 6.318 3.330 ( 5.882 -0.000 -7.353) 9.416 3.596 ( 0.873 -0.000 5.383) 5.453 4.060 ( 8.251 -0.000 9.065) 12.258 4.347 ( 2.723 -0.000 -2.908) 3.984 4.434 ( 4.529 -0.000 1.908) 4.915 4.624 ( -0.364 0.000 -5.386) 5.399 4.878 ( 1.147 -0.000 -5.127) 5.254 4.884 ( 0.468 -0.000 1.751) 1.813 5.091 ( 4.690 -0.000 -1.133) 4.824 5.189 ( 1.448 -0.000 2.168) 2.607 5.258 ( -0.639 0.000 -8.065) 8.090 5.394 ( -3.444 0.000 10.482) 11.034 5.560 ( -3.776 0.000 -11.987) 12.568 5.713 ( 2.039 -0.000 11.854) 12.028 5.752 ( -1.531 0.000 -0.414) 1.587 6.112 ( 2.947 -0.000 -3.520) 4.590 6.160 ( 4.138 -0.000 4.223) 5.912 6.385 ( -7.246 0.000 -4.774) 8.677 6.669 ( -0.478 0.000 1.420) 1.498 6.757 ( 11.971 -0.000 -6.571) 13.656 7.288 ( -1.385 0.000 -3.976) 4.211 7.290 ( 6.362 -0.000 -4.873) 8.014 7.627 ( 3.901 -0.000 8.194) 9.076 7.761 ( -5.877 0.000 -4.349) 7.311 7.877 ( -0.348 0.000 10.887) 10.893 7.979 ( -2.778 0.000 2.843) 3.975 8.139 ( 2.974 -0.000 0.778) 3.074 8.198 ( 3.247 -0.000 10.743) 11.223 8.374 ( -2.514 0.000 -1.610) 2.986 8.426 ( 2.055 -0.000 -5.156) 5.551 9.220 ( 0.941 -0.000 -7.919) 7.974 9.442 ( 1.402 -0.000 -5.000) 5.193 9.707 ( -2.332 0.000 4.104) 4.721 9.844 ( -3.620 0.000 2.903) 4.641 10.371 ( -0.103 0.000 2.538) 2.540 10.445 ( -0.876 0.000 -3.234) 3.350 10.816 ( -8.640 0.000 3.674) 9.389 11.310 ( 1.096 -0.000 -6.373) 6.467 12.318 ( 2.402 -0.000 3.893) 4.574 12.671 ( 9.967 -0.000 -1.583) 10.092 12.954 ( -0.292 0.000 -2.853) 2.868 13.561 ( -1.249 0.000 5.305) 5.451 13.974 ( 1.350 -0.000 1.115) 1.751 14.120 ( -12.205 0.000 -4.574) 13.034 14.678 ( -4.231 0.000 5.120) 6.642 15.248 ( 2.420 -0.000 11.785) 12.030 16.309 ( 0.169 -0.000 -1.609) 1.618 16.844 ( 2.028 -0.000 -1.684) 2.636 17.091 ( -5.487 0.000 -4.884) 7.346 ======================= Grid point 194 (85/172) ======================= q-point: (-0.10 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -9.172 -19.319 1.179) 21.418 0.842 ( -17.437 -18.448 -1.496) 25.428 1.403 ( -25.382 -9.518 15.757) 31.355 1.703 ( -4.754 -22.943 -1.074) 23.455 2.159 ( 1.417 -17.178 -3.164) 17.525 2.332 ( 0.708 -17.498 -1.557) 17.581 2.672 ( 4.308 3.592 -0.138) 5.611 2.800 ( -3.526 1.547 -4.266) 5.747 2.901 ( 1.406 -9.516 -6.799) 11.779 3.050 ( 9.744 -6.687 -1.702) 11.940 3.175 ( -4.274 -0.248 -1.704) 4.607 3.399 ( 8.397 -1.369 0.282) 8.513 3.708 ( -0.364 -10.527 6.611) 12.436 4.139 ( 4.731 -0.419 4.580) 6.598 4.340 ( 2.337 1.456 -2.598) 3.785 4.475 ( 4.426 -0.239 1.656) 4.731 4.606 ( -1.432 0.858 -3.692) 4.052 4.820 ( 0.873 5.688 -0.976) 5.837 4.879 ( 1.799 1.593 -2.064) 3.168 5.022 ( -3.381 6.714 -2.020) 7.784 5.173 ( 2.221 0.085 -2.508) 3.351 5.272 ( -1.136 2.389 3.655) 4.512 5.397 ( -3.011 -3.555 -2.486) 5.281 5.533 ( -0.410 -0.733 -1.408) 1.639 5.710 ( 1.434 1.614 4.599) 5.080 5.833 ( 0.053 -5.219 2.722) 5.886 6.096 ( -3.314 4.370 -4.110) 6.854 6.154 ( 1.493 0.606 -4.669) 4.939 6.312 ( -6.432 -1.010 1.639) 6.714 6.614 ( 0.464 2.431 6.931) 7.359 6.863 ( 5.548 -0.220 -11.007) 12.328 7.227 ( -1.653 2.626 -4.672) 5.609 7.459 ( 6.345 -7.581 -4.933) 11.049 7.516 ( 1.568 8.139 6.480) 10.521 7.728 ( 2.839 6.776 10.995) 13.224 7.846 ( -4.932 -3.667 0.290) 6.152 8.067 ( -0.528 -5.420 2.754) 6.102 8.171 ( 1.118 0.528 1.059) 1.628 8.238 ( 2.867 -4.409 2.446) 5.800 8.407 ( -0.166 0.113 -3.132) 3.138 8.497 ( 4.035 -7.689 3.257) 9.275 9.088 ( -5.585 9.909 -3.470) 11.892 9.434 ( 1.497 1.403 -4.482) 4.929 9.631 ( -4.986 3.778 0.431) 6.271 9.812 ( -0.263 2.693 7.117) 7.614 10.334 ( -0.967 2.794 -0.153) 2.960 10.376 ( 0.661 6.490 -0.539) 6.546 10.851 ( -5.204 -9.204 0.827) 10.605 11.415 ( 2.387 -10.123 -3.981) 11.137 12.400 ( 2.867 -5.435 2.993) 6.835 12.819 ( 8.237 -6.712 -1.359) 10.712 12.919 ( -1.067 2.164 -1.943) 3.098 13.683 ( -0.722 -9.531 -0.004) 9.558 13.978 ( 5.300 2.168 2.063) 6.087 14.040 ( -12.997 -1.576 -2.093) 13.259 14.640 ( -3.819 1.248 5.021) 6.430 15.218 ( 4.557 7.892 8.986) 12.799 16.292 ( 0.389 1.994 -1.461) 2.502 16.735 ( -3.707 7.089 -13.762) 15.918 17.061 ( 1.865 1.506 8.099) 8.446 ======================= Grid point 204 (86/172) ======================= q-point: (-0.10 -0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -8.186 0.000 8.111) 11.524 0.481 ( -24.083 0.000 2.543) 24.217 1.112 ( -25.253 0.000 35.734) 43.757 1.465 ( -2.239 0.000 -3.923) 4.517 1.977 ( 1.522 -0.000 -2.951) 3.320 2.132 ( -3.304 0.000 -2.989) 4.456 2.743 ( -1.428 0.000 -9.180) 9.290 2.814 ( 3.877 -0.000 1.375) 4.114 2.815 ( 3.112 -0.000 -4.288) 5.298 3.052 ( 9.718 -0.000 -5.068) 10.960 3.133 ( -3.855 0.000 1.090) 4.006 3.507 ( 12.211 -0.000 1.999) 12.374 3.600 ( -1.986 0.000 6.636) 6.927 4.177 ( 1.735 -0.000 3.687) 4.075 4.376 ( 3.927 -0.000 -1.573) 4.230 4.498 ( 2.331 -0.000 1.992) 3.066 4.591 ( -2.333 0.000 -5.271) 5.764 4.897 ( -0.477 0.000 -6.260) 6.278 4.897 ( 2.308 -0.000 -3.995) 4.613 5.141 ( -1.833 0.000 -8.658) 8.849 5.157 ( 3.022 -0.000 -0.486) 3.060 5.267 ( -1.538 0.000 0.342) 1.576 5.344 ( -4.746 0.000 9.392) 10.523 5.494 ( -2.567 0.000 -9.912) 10.239 5.735 ( -0.288 0.000 0.782) 0.834 5.787 ( 1.786 -0.000 10.239) 10.393 6.046 ( -12.344 0.000 -9.437) 15.538 6.216 ( 0.967 -0.000 0.602) 1.139 6.227 ( -3.637 0.000 -3.738) 5.215 6.664 ( -0.368 0.000 1.141) 1.199 6.886 ( 2.966 -0.000 -2.809) 4.085 7.259 ( -0.413 0.000 -3.555) 3.579 7.392 ( 6.332 -0.000 -5.752) 8.555 7.644 ( -1.873 0.000 9.511) 9.693 7.667 ( -3.602 0.000 -1.411) 3.868 7.936 ( -2.643 0.000 2.589) 3.699 7.977 ( 8.980 -0.000 7.911) 11.967 8.183 ( 1.457 -0.000 -0.089) 1.460 8.266 ( 1.010 -0.000 7.367) 7.436 8.337 ( -1.170 0.000 -0.430) 1.246 8.513 ( 9.808 -0.000 1.700) 9.955 9.171 ( -5.226 0.000 -7.921) 9.490 9.459 ( 1.962 -0.000 -5.006) 5.377 9.612 ( -6.724 0.000 -1.934) 6.997 9.885 ( 5.633 -0.000 12.431) 13.648 10.354 ( -1.766 0.000 -0.782) 1.931 10.448 ( 1.178 -0.000 -0.161) 1.189 10.697 ( -5.667 0.000 2.236) 6.092 11.315 ( 1.249 -0.000 -4.979) 5.133 12.367 ( 2.029 -0.000 4.021) 4.504 12.806 ( 5.298 -0.000 -0.630) 5.336 12.938 ( -0.370 0.000 -1.351) 1.401 13.588 ( 4.010 -0.000 2.793) 4.887 13.893 ( -12.549 0.000 -3.415) 13.005 14.068 ( 7.596 -0.000 0.235) 7.600 14.637 ( 0.188 -0.000 10.292) 10.294 15.337 ( 4.163 -0.000 6.708) 7.895 16.313 ( 0.335 -0.000 -1.160) 1.207 16.675 ( -19.548 0.000 -20.367) 28.230 17.177 ( 16.074 -0.000 17.543) 23.793 ======================= Grid point 205 (87/172) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 8.398 -0.000 17.202) 19.142 0.928 ( 16.949 -0.000 23.948) 29.339 1.349 ( 1.669 -0.000 -5.779) 6.015 1.761 ( -5.312 0.000 17.109) 17.914 1.762 ( -3.291 0.000 -13.299) 13.700 1.995 ( -2.382 0.000 -2.465) 3.427 2.292 ( -6.371 0.000 2.033) 6.687 2.816 ( 2.340 -0.000 -0.388) 2.372 2.978 ( 4.043 -0.000 -2.242) 4.623 3.075 ( 2.107 -0.000 1.429) 2.546 3.162 ( 0.227 -0.000 -1.188) 1.210 3.585 ( 1.944 -0.000 -4.135) 4.569 3.669 ( -2.074 0.000 3.173) 3.790 3.974 ( -0.269 0.000 -21.203) 21.204 4.343 ( -11.861 0.000 1.240) 11.926 4.532 ( 7.245 -0.000 0.200) 7.247 4.546 ( -0.785 0.000 0.887) 1.184 4.758 ( 1.337 -0.000 -1.908) 2.330 4.869 ( 2.443 -0.000 -3.590) 4.342 4.917 ( -1.531 0.000 -6.459) 6.639 5.081 ( -8.376 0.000 7.732) 11.399 5.201 ( 1.009 -0.000 0.767) 1.268 5.395 ( 3.882 -0.000 -4.012) 5.582 5.469 ( -3.545 0.000 8.976) 9.651 5.830 ( 3.546 -0.000 5.104) 6.215 5.845 ( -1.769 0.000 -2.190) 2.815 6.063 ( 1.195 -0.000 1.689) 2.069 6.092 ( -6.315 0.000 -5.159) 8.154 6.294 ( 6.857 -0.000 0.567) 6.880 6.682 ( -0.677 0.000 1.006) 1.213 7.007 ( -2.098 0.000 7.622) 7.905 7.194 ( 0.736 -0.000 -2.133) 2.256 7.279 ( 2.283 -0.000 -8.368) 8.674 7.739 ( 2.786 -0.000 4.045) 4.912 7.834 ( -1.635 0.000 8.415) 8.572 7.940 ( -0.925 0.000 0.828) 1.242 8.108 ( 5.640 -0.000 -4.184) 7.022 8.152 ( -1.744 0.000 -0.677) 1.871 8.300 ( -2.597 0.000 2.087) 3.332 8.348 ( 1.195 -0.000 -0.209) 1.213 8.681 ( 3.214 -0.000 3.649) 4.863 8.974 ( -8.661 0.000 -4.536) 9.777 9.393 ( 2.423 -0.000 -4.224) 4.870 9.624 ( 4.149 -0.000 1.857) 4.546 10.111 ( 1.592 -0.000 1.832) 2.427 10.288 ( -0.976 0.000 -1.197) 1.545 10.487 ( 1.280 -0.000 0.745) 1.481 10.661 ( -2.162 0.000 1.291) 2.519 11.257 ( 2.676 -0.000 -3.607) 4.491 12.493 ( -0.033 0.000 4.721) 4.721 12.818 ( -1.235 0.000 -1.361) 1.838 12.970 ( 2.307 -0.000 -0.590) 2.382 13.661 ( -7.244 0.000 -0.466) 7.259 13.720 ( 7.689 -0.000 -0.781) 7.729 14.181 ( 5.962 -0.000 1.113) 6.065 14.404 ( -16.431 0.000 -3.681) 16.838 15.585 ( 4.424 -0.000 8.772) 9.825 16.113 ( -3.845 0.000 -7.208) 8.169 16.464 ( 0.777 -0.000 2.425) 2.547 17.570 ( 5.936 -0.000 -1.226) 6.062 ======================= Grid point 206 (88/172) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 12.740 -9.843 14.046) 21.365 1.229 ( 6.487 -13.146 18.461) 23.574 1.494 ( 0.169 -11.356 -5.540) 12.636 1.662 ( 1.389 -10.028 -8.032) 12.923 2.026 ( -2.876 -16.364 -13.824) 21.614 2.192 ( -0.049 -21.240 -0.041) 21.241 2.341 ( 0.473 -9.272 17.419) 19.739 2.835 ( -0.663 5.666 0.566) 5.733 2.934 ( 2.503 -5.083 -0.194) 5.669 3.106 ( 0.170 1.114 0.167) 1.139 3.264 ( -1.306 -10.313 -2.172) 10.619 3.617 ( 5.156 -0.568 -5.454) 7.527 3.766 ( -3.010 -11.573 3.756) 12.534 3.940 ( -0.611 0.342 -15.501) 15.517 4.229 ( -12.319 0.770 0.093) 12.344 4.480 ( 2.674 3.927 -3.064) 5.653 4.642 ( -0.264 -3.749 4.637) 5.969 4.735 ( 2.455 3.467 -2.255) 4.810 4.860 ( 2.741 2.038 -4.256) 5.458 4.918 ( -0.031 -0.840 -3.520) 3.619 5.006 ( -1.924 1.994 6.328) 6.908 5.221 ( -4.352 -0.538 0.490) 4.412 5.395 ( 2.040 2.455 -1.693) 3.613 5.501 ( -1.144 -4.737 7.316) 8.791 5.843 ( -0.180 -1.476 -0.753) 1.667 5.886 ( 3.693 1.052 0.983) 3.963 5.993 ( -3.790 -1.111 -4.587) 6.053 6.119 ( -0.610 -2.457 3.425) 4.259 6.314 ( 2.382 3.918 -0.586) 4.623 6.687 ( 0.806 -1.013 0.127) 1.300 6.923 ( -0.004 6.806 2.383) 7.211 7.074 ( -1.649 5.875 0.498) 6.122 7.449 ( -2.134 -10.376 -5.981) 12.165 7.709 ( 1.765 4.442 2.789) 5.534 7.818 ( 0.816 3.045 4.721) 5.677 7.930 ( -3.560 1.291 1.434) 4.050 8.106 ( 1.074 -3.008 0.089) 3.196 8.192 ( 2.659 1.373 -1.434) 3.318 8.282 ( -2.234 -2.165 0.883) 3.233 8.406 ( 1.214 -4.869 -0.339) 5.029 8.682 ( -3.323 0.979 8.297) 8.992 8.903 ( -4.377 -0.944 -6.763) 8.111 9.397 ( -1.073 -0.093 -2.781) 2.982 9.646 ( 8.320 4.038 1.043) 9.306 10.045 ( 0.732 7.620 2.545) 8.067 10.235 ( -0.425 3.725 -0.113) 3.751 10.423 ( 0.865 6.695 -0.252) 6.755 10.746 ( 0.261 -8.868 0.120) 8.873 11.430 ( 2.776 -14.494 -4.260) 15.359 12.530 ( -1.999 -4.473 5.060) 7.043 12.840 ( -4.534 -3.746 -1.971) 6.202 12.905 ( 1.121 4.909 -0.892) 5.113 13.702 ( -4.491 -6.529 2.038) 8.182 13.801 ( 6.448 0.060 -1.341) 6.587 14.212 ( 1.467 -1.652 -2.436) 3.289 14.261 ( -7.475 3.333 2.074) 8.444 15.595 ( 5.475 5.243 10.553) 12.994 16.090 ( -0.943 -0.613 -10.068) 10.131 16.411 ( 1.362 6.587 0.491) 6.744 17.510 ( 0.906 8.192 -0.826) 8.283 ======================= Grid point 207 (89/172) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 9.477 -7.569 4.489) 12.933 1.473 ( -0.234 -11.819 11.759) 16.674 1.659 ( 10.765 -5.323 -10.208) 15.762 2.033 ( -3.909 -18.652 -5.097) 19.727 2.305 ( 0.820 -22.487 -11.656) 25.342 2.573 ( -1.714 -6.635 3.183) 7.556 2.662 ( 3.289 -24.908 3.616) 25.383 2.826 ( 3.582 -10.727 10.370) 15.344 3.061 ( 0.790 3.010 -0.495) 3.151 3.106 ( 0.788 -8.911 -2.306) 9.238 3.437 ( -3.062 -10.065 -3.106) 10.970 3.672 ( 3.613 -2.365 -2.936) 5.222 3.922 ( -1.481 -2.367 -4.850) 5.597 3.995 ( -4.464 -10.322 0.005) 11.246 4.139 ( -8.878 -5.135 -1.719) 10.399 4.440 ( 1.552 1.888 -2.801) 3.718 4.658 ( -2.891 0.573 2.743) 4.026 4.715 ( 3.211 0.640 1.099) 3.454 4.839 ( 1.106 2.175 -0.677) 2.532 4.917 ( 1.266 1.862 0.285) 2.270 4.989 ( -2.313 -1.800 1.245) 3.184 5.170 ( -1.625 1.903 1.585) 2.962 5.339 ( -0.467 3.597 -3.357) 4.942 5.626 ( 1.924 -7.294 5.446) 9.304 5.827 ( 4.773 6.876 -4.425) 9.468 5.887 ( -0.501 -3.659 -1.697) 4.065 6.035 ( -4.306 -4.250 1.671) 6.277 6.179 ( 2.374 -1.445 4.272) 5.097 6.222 ( -1.656 3.344 -1.688) 4.096 6.714 ( 1.291 0.368 -0.918) 1.627 6.803 ( 0.780 5.993 0.687) 6.082 6.975 ( -1.826 3.597 1.897) 4.457 7.459 ( -4.865 6.777 -2.586) 8.734 7.654 ( -2.848 6.102 4.760) 8.246 7.761 ( -2.121 -5.904 -2.586) 6.786 7.979 ( -0.995 -6.671 5.180) 8.505 8.118 ( 3.565 5.359 -3.568) 7.359 8.150 ( -1.820 0.678 -0.422) 1.988 8.379 ( 2.410 -6.374 2.616) 7.299 8.527 ( -0.451 -7.365 -1.711) 7.575 8.642 ( -3.319 -0.320 7.581) 8.282 8.918 ( -0.160 -2.844 -6.981) 7.540 9.370 ( -3.400 0.692 -0.959) 3.599 9.616 ( 7.719 7.382 3.531) 11.249 9.899 ( 0.435 8.108 1.490) 8.255 10.158 ( 0.115 5.095 1.378) 5.280 10.296 ( 0.737 7.313 -2.225) 7.680 10.966 ( 2.187 -14.023 -0.056) 14.193 11.751 ( 1.110 -18.415 -4.023) 18.882 12.631 ( -4.145 -8.761 6.310) 11.565 12.768 ( -0.859 4.576 -2.073) 5.096 12.972 ( -4.279 -9.769 -2.079) 10.866 13.649 ( -5.533 6.407 5.031) 9.847 13.901 ( 5.583 -5.348 -3.922) 8.669 14.142 ( 0.785 7.623 4.172) 8.725 14.274 ( 6.298 0.099 -3.359) 7.139 15.505 ( 3.027 10.031 15.207) 18.467 16.085 ( -0.133 -0.487 -14.888) 14.897 16.275 ( 0.440 8.344 -2.562) 8.740 17.347 ( -1.637 8.346 1.167) 8.585 ======================= Grid point 208 (90/172) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 3.927 -2.833 -4.002) 6.282 1.739 ( 2.634 -13.728 -6.384) 15.368 1.828 ( 11.296 -4.269 0.742) 12.098 2.260 ( -1.577 -11.961 1.100) 12.114 2.529 ( 0.459 -0.360 -1.190) 1.325 2.767 ( 2.350 -14.792 3.551) 15.393 2.953 ( -0.199 4.994 -3.139) 5.902 3.066 ( 1.077 -16.805 -5.203) 17.625 3.183 ( -0.870 -11.786 3.121) 12.223 3.277 ( 0.749 -12.659 -3.782) 13.234 3.525 ( -5.095 -2.957 -2.764) 6.507 3.779 ( 1.895 -5.438 2.155) 6.148 3.966 ( -0.863 -4.658 -5.597) 7.333 3.995 ( -6.197 -4.686 -6.960) 10.430 4.338 ( -2.937 -13.453 5.672) 14.893 4.448 ( 1.389 -1.680 3.108) 3.796 4.630 ( -1.747 -0.055 1.619) 2.382 4.760 ( 2.294 -3.197 2.304) 4.560 4.805 ( -1.367 0.975 5.023) 5.296 4.854 ( -1.514 4.194 -0.863) 4.541 5.048 ( -1.052 -5.689 0.536) 5.810 5.145 ( 2.495 2.245 6.594) 7.399 5.278 ( -0.777 1.301 -7.632) 7.781 5.729 ( 3.396 6.267 -8.199) 10.864 5.784 ( 4.070 -5.017 4.265) 7.741 5.960 ( 2.021 -3.211 1.024) 3.930 6.039 ( -5.145 -0.580 2.435) 5.722 6.154 ( -0.080 -0.327 -2.799) 2.819 6.264 ( 3.325 -2.303 1.933) 4.483 6.629 ( -1.168 6.993 -1.438) 7.235 6.781 ( -0.472 -1.174 2.263) 2.593 6.923 ( 0.109 1.222 1.722) 2.114 7.218 ( -6.475 11.471 -1.718) 13.284 7.516 ( -3.844 6.371 4.249) 8.569 7.854 ( -4.971 -4.913 0.132) 6.991 8.016 ( 2.013 4.974 1.086) 5.474 8.084 ( 0.048 -0.705 0.572) 0.909 8.199 ( 3.401 -7.721 -3.873) 9.283 8.496 ( -1.169 -3.901 3.685) 5.492 8.574 ( -1.452 -0.554 -0.828) 1.760 8.744 ( 1.345 -9.932 0.608) 10.041 8.972 ( 1.400 -3.105 -5.477) 6.450 9.316 ( -4.040 1.473 0.551) 4.335 9.521 ( 4.329 8.914 5.349) 11.261 9.784 ( 0.867 5.218 1.080) 5.398 10.043 ( 0.006 7.869 3.433) 8.585 10.180 ( 0.473 5.413 -4.560) 7.094 11.277 ( 3.523 -16.840 0.249) 17.206 12.081 ( -1.522 -17.835 -3.906) 18.321 12.693 ( 0.873 3.440 -1.033) 3.697 12.772 ( -6.619 -9.785 7.788) 14.150 13.111 ( -3.822 -8.402 -4.815) 10.411 13.516 ( -6.877 -0.076 3.409) 7.676 13.988 ( 4.708 7.439 2.521) 9.158 14.023 ( 6.193 3.145 -3.270) 7.677 14.274 ( 12.532 8.285 -1.224) 15.073 15.338 ( -0.893 10.575 18.767) 21.560 16.061 ( -1.608 0.511 -18.629) 18.705 16.139 ( -0.021 5.643 -2.989) 6.386 17.204 ( -2.203 5.561 2.291) 6.406 ======================= Grid point 209 (91/172) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 1.765 0.186 -9.328) 9.496 1.865 ( 4.791 -1.194 -22.876) 23.403 2.086 ( 5.564 -10.324 17.498) 21.065 2.418 ( -1.551 -5.139 -0.842) 5.434 2.565 ( 3.246 -3.297 4.652) 6.561 2.830 ( -3.755 3.622 -0.603) 5.252 2.982 ( 6.068 -4.430 4.773) 8.901 3.218 ( 1.313 1.123 -8.573) 8.746 3.261 ( -5.516 -1.820 -3.388) 6.725 3.412 ( -6.069 -1.909 -3.847) 7.435 3.589 ( 3.133 -9.470 -3.568) 10.593 3.827 ( -1.467 -1.084 -2.379) 2.997 4.004 ( -6.267 -4.001 -14.597) 16.381 4.200 ( 1.955 -13.762 2.684) 14.157 4.475 ( -0.827 -2.660 7.828) 8.309 4.518 ( 1.906 -3.124 4.488) 5.791 4.644 ( -0.467 -1.605 0.653) 1.794 4.768 ( -1.897 1.645 0.678) 2.600 4.820 ( -0.487 -3.506 7.153) 7.981 4.877 ( 1.420 -4.968 5.424) 7.492 5.123 ( 1.911 1.392 2.519) 3.455 5.158 ( -0.006 -4.360 8.126) 9.222 5.264 ( -1.142 -1.167 -7.349) 7.528 5.643 ( 1.831 4.150 -8.376) 9.526 5.860 ( 3.592 0.876 0.355) 3.714 6.000 ( -2.788 0.985 -1.953) 3.544 6.010 ( 0.676 -0.205 5.807) 5.850 6.208 ( 4.286 -3.145 -3.029) 6.119 6.336 ( -0.607 -2.647 0.085) 2.717 6.521 ( -0.066 1.623 1.016) 1.916 6.770 ( -0.806 2.936 -2.052) 3.672 6.936 ( 0.127 -1.464 0.597) 1.586 6.993 ( -5.357 5.195 1.989) 7.723 7.374 ( -3.306 5.670 2.703) 7.099 7.809 ( -0.258 5.127 0.503) 5.158 7.960 ( -1.645 1.818 3.713) 4.449 8.142 ( 0.938 -4.382 -1.478) 4.719 8.377 ( 3.894 -7.491 -3.777) 9.249 8.479 ( -4.640 1.427 1.941) 5.229 8.594 ( 0.226 -0.671 -2.179) 2.292 8.950 ( 1.709 -10.302 -0.621) 10.461 9.032 ( 2.161 -1.888 -3.800) 4.762 9.255 ( -3.427 1.707 1.579) 4.141 9.402 ( 1.986 7.046 4.623) 8.658 9.728 ( 0.128 1.475 3.003) 3.348 9.896 ( -0.446 7.821 4.227) 8.901 10.097 ( 0.351 3.451 -5.279) 6.317 11.606 ( 3.479 -14.724 0.154) 15.130 12.306 ( -3.879 -7.480 -1.466) 8.552 12.654 ( 0.953 1.854 -0.656) 2.186 12.851 ( -3.723 -4.618 4.167) 7.249 13.199 ( -0.445 -4.576 -4.730) 6.596 13.587 ( -12.578 -14.713 1.552) 19.419 13.864 ( 0.509 5.251 4.554) 6.969 13.987 ( 5.673 7.243 -4.001) 10.033 14.202 ( 20.414 15.456 -1.214) 25.634 15.176 ( -4.170 6.540 19.740) 21.209 16.008 ( -2.535 0.076 -17.268) 17.453 16.074 ( 1.396 2.238 -5.118) 5.758 17.113 ( -1.889 2.858 3.220) 4.702 ======================= Grid point 210 (92/172) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 2.465 2.349 -10.641) 11.173 1.846 ( 0.516 3.391 -20.980) 21.259 2.247 ( 1.202 -2.021 20.448) 20.583 2.440 ( -2.105 0.018 -1.842) 2.798 2.621 ( 1.309 2.702 4.847) 5.701 2.812 ( -2.870 -5.505 -3.000) 6.895 3.062 ( -5.001 8.758 -4.772) 11.157 3.118 ( 5.653 -3.013 5.199) 8.250 3.241 ( 4.384 -1.458 -4.322) 6.326 3.425 ( -2.637 -1.878 -5.191) 6.118 3.723 ( 4.755 0.551 -3.514) 5.938 3.795 ( -1.771 2.957 -4.762) 5.878 3.967 ( -5.798 -0.234 -13.867) 15.032 4.344 ( 0.519 1.513 2.521) 2.986 4.494 ( 4.549 2.024 2.566) 5.602 4.596 ( 0.833 -4.224 1.286) 4.493 4.669 ( 1.493 -1.159 5.179) 5.513 4.747 ( -3.352 -0.584 4.020) 5.267 4.905 ( -4.003 -4.459 4.265) 7.355 4.952 ( 1.936 -0.903 6.961) 7.281 5.103 ( 3.038 2.459 3.599) 5.313 5.242 ( 1.258 -2.213 1.184) 2.807 5.257 ( -4.747 -0.869 0.867) 4.903 5.601 ( 1.835 1.582 -4.700) 5.287 5.849 ( 1.241 1.674 -2.999) 3.652 5.925 ( -4.731 2.415 -6.580) 8.457 6.020 ( 1.047 0.489 7.340) 7.431 6.298 ( 2.582 -2.367 -2.429) 4.263 6.316 ( -1.360 1.069 2.535) 3.069 6.580 ( 1.645 -1.458 -0.209) 2.208 6.678 ( 0.985 2.121 -5.250) 5.748 6.944 ( -3.424 -3.912 1.061) 5.306 6.987 ( -0.257 -1.839 3.069) 3.587 7.292 ( 0.848 1.466 2.072) 2.676 7.738 ( -0.140 1.501 1.042) 1.833 7.937 ( -1.288 -0.567 3.152) 3.452 8.184 ( 3.121 2.923 -0.652) 4.325 8.414 ( -5.015 0.837 1.316) 5.252 8.512 ( 3.355 -4.087 -5.019) 7.290 8.570 ( -0.336 2.448 -1.017) 2.672 9.047 ( 0.225 1.652 -2.307) 2.846 9.083 ( -0.267 -0.321 -0.868) 0.963 9.212 ( 0.011 -0.470 0.797) 0.925 9.345 ( 0.136 -0.368 4.492) 4.509 9.737 ( -0.747 -0.691 4.161) 4.284 9.805 ( -0.132 0.061 3.999) 4.002 10.054 ( 0.436 0.802 -5.166) 5.246 11.798 ( -0.760 -2.451 -1.009) 2.757 12.272 ( 2.024 7.684 3.964) 8.880 12.624 ( -0.808 0.334 -1.003) 1.331 12.974 ( -0.428 -9.029 -1.436) 9.153 13.208 ( 1.390 3.839 -4.427) 6.022 13.725 ( -7.796 -6.017 2.036) 10.056 13.856 ( -8.032 -7.376 -2.292) 11.144 13.962 ( 1.935 -4.190 2.628) 5.312 14.051 ( 13.629 15.175 -1.065) 20.424 15.081 ( -2.380 3.346 19.424) 19.853 16.004 ( -0.017 -2.852 -14.493) 14.771 16.060 ( 2.687 0.412 -7.782) 8.243 17.072 ( -1.202 0.742 4.109) 4.345 ======================= Grid point 211 (93/172) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 4.307 4.987 -7.559) 10.028 1.699 ( -4.095 8.704 -15.145) 17.942 2.211 ( -7.106 6.852 17.584) 20.165 2.416 ( 0.757 -0.154 -2.300) 2.426 2.597 ( 1.921 0.403 5.329) 5.679 2.767 ( -6.130 4.800 -8.310) 11.388 2.974 ( -1.071 -0.669 -2.974) 3.231 3.160 ( 4.685 3.291 3.703) 6.818 3.350 ( 7.047 4.241 -3.348) 8.880 3.414 ( 1.793 0.106 -0.313) 1.823 3.557 ( -1.858 12.177 -2.977) 12.672 3.742 ( 0.592 5.045 -6.631) 8.353 3.930 ( -0.153 -1.482 -9.387) 9.505 4.207 ( 1.852 12.115 1.592) 12.359 4.479 ( 3.993 4.703 0.645) 6.203 4.649 ( 0.705 0.992 4.572) 4.731 4.692 ( 1.093 0.571 3.232) 3.460 4.775 ( 0.844 -3.460 1.326) 3.801 4.862 ( -5.596 2.316 0.726) 6.100 4.991 ( 0.244 -0.173 3.652) 3.664 5.085 ( -0.315 0.994 8.442) 8.506 5.181 ( -3.662 3.591 -1.374) 5.310 5.290 ( -0.609 -1.284 -1.896) 2.370 5.584 ( 2.790 1.821 0.778) 3.422 5.808 ( -1.085 1.686 -11.878) 12.046 5.879 ( -1.966 -1.140 1.191) 2.566 6.025 ( -3.463 -0.698 6.078) 7.030 6.244 ( 0.403 4.369 -1.092) 4.521 6.378 ( -2.207 -3.627 0.811) 4.323 6.557 ( 1.181 0.083 -0.417) 1.255 6.734 ( 4.048 -1.402 -2.839) 5.140 6.957 ( -3.579 -1.708 -0.419) 3.987 7.094 ( 2.776 -8.173 1.367) 8.739 7.349 ( 4.234 -4.127 3.663) 6.955 7.767 ( -1.289 -4.670 2.409) 5.411 7.961 ( 0.625 -1.116 1.344) 1.855 8.094 ( 4.117 8.360 -1.969) 9.525 8.345 ( -4.171 3.455 0.856) 5.484 8.494 ( 0.071 4.006 2.396) 4.669 8.598 ( 2.457 -1.719 -4.244) 5.197 8.925 ( -1.991 9.347 0.031) 9.556 9.033 ( -0.529 2.701 -1.908) 3.349 9.250 ( 1.294 -1.232 0.455) 1.844 9.419 ( -1.452 -6.397 3.769) 7.565 9.741 ( -0.493 -1.230 4.022) 4.235 9.895 ( -1.054 -7.420 2.661) 7.953 10.076 ( 1.281 -3.242 -4.475) 5.672 11.651 ( -5.915 12.851 -1.175) 14.196 12.133 ( 7.445 13.185 3.472) 15.535 12.654 ( 0.238 -2.989 -0.728) 3.086 13.009 ( 2.467 8.158 5.633) 10.216 13.196 ( 2.426 -3.368 -11.296) 12.035 13.681 ( 9.782 10.619 -2.067) 14.585 13.822 ( -13.199 -2.465 4.459) 14.148 14.045 ( -10.109 -12.757 -4.222) 16.815 14.159 ( -3.042 -12.449 0.988) 12.853 15.059 ( 1.605 0.657 20.935) 21.007 16.057 ( -0.021 -3.444 -6.328) 7.205 16.103 ( 5.557 -3.034 -16.256) 17.446 17.074 ( -0.074 -1.058 5.102) 5.211 ======================= Grid point 212 (94/172) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 2.633 10.778 -1.407) 11.184 1.455 ( -3.071 11.537 -7.419) 14.056 1.973 ( -11.516 10.062 11.540) 19.158 2.437 ( 1.824 -0.528 -2.758) 3.348 2.601 ( -2.901 3.183 -5.141) 6.707 2.655 ( -1.396 2.717 -0.794) 3.155 2.909 ( 5.193 13.115 -2.039) 14.253 3.004 ( 1.190 16.259 -0.537) 16.312 3.121 ( -1.245 15.845 1.147) 15.935 3.323 ( 0.334 8.548 -2.932) 9.043 3.429 ( 3.946 9.136 3.645) 10.599 3.640 ( 0.158 3.378 1.034) 3.537 3.999 ( 3.477 0.091 -3.721) 5.093 4.070 ( 3.754 -0.142 -7.832) 8.687 4.370 ( 1.569 10.763 -0.416) 10.885 4.597 ( 0.447 4.784 1.429) 5.013 4.690 ( 1.853 1.292 0.987) 2.465 4.765 ( -2.920 1.299 1.207) 3.417 4.795 ( -2.007 2.710 3.182) 4.637 5.004 ( -4.929 0.089 1.199) 5.073 5.086 ( 1.092 -0.827 -1.109) 1.762 5.135 ( 0.608 -3.685 6.689) 7.661 5.262 ( -1.800 1.407 -9.168) 9.449 5.626 ( 2.587 -2.977 2.806) 4.840 5.748 ( -1.030 3.497 -3.603) 5.126 5.909 ( 2.443 -1.829 -1.321) 3.326 5.980 ( -7.018 0.276 4.382) 8.278 6.181 ( 2.682 3.882 -1.311) 4.897 6.400 ( -6.505 -3.132 1.138) 7.309 6.603 ( 1.889 -2.279 -1.814) 3.472 6.753 ( 1.507 1.244 2.159) 2.912 6.987 ( -2.453 -4.499 -3.196) 6.039 7.298 ( 5.826 -9.446 0.296) 11.102 7.494 ( 4.379 -6.821 5.186) 9.623 7.821 ( 0.132 3.745 1.585) 4.068 7.920 ( 2.108 1.835 -0.134) 2.798 8.075 ( 2.344 -2.101 -1.183) 3.363 8.229 ( -3.042 4.274 -1.003) 5.341 8.422 ( -0.358 4.526 5.302) 6.980 8.588 ( 3.176 6.415 -1.904) 7.407 8.764 ( -2.239 4.588 0.894) 5.183 8.978 ( -0.632 1.877 -2.200) 2.960 9.284 ( 2.220 -0.963 0.009) 2.420 9.522 ( -3.310 -6.128 4.204) 8.135 9.781 ( -0.945 -3.386 3.012) 4.630 10.030 ( -1.081 -8.242 0.373) 8.321 10.174 ( 1.318 -5.947 -2.395) 6.545 11.322 ( -5.835 16.032 -0.904) 17.085 11.922 ( 6.615 16.657 1.659) 17.999 12.682 ( 0.456 1.285 -0.545) 1.468 12.871 ( 1.950 7.190 3.772) 8.350 13.182 ( 8.460 10.798 -6.533) 15.194 13.632 ( 2.534 -3.027 -2.985) 4.950 13.824 ( -12.469 -6.960 4.038) 14.840 14.135 ( -14.300 -7.348 -0.907) 16.104 14.334 ( 0.429 -8.482 -4.180) 9.466 15.153 ( 2.221 -6.503 20.822) 21.926 16.119 ( 0.174 -4.012 -4.117) 5.751 16.201 ( 3.616 -4.705 -18.003) 18.956 17.124 ( 1.975 -3.017 6.313) 7.270 ======================= Grid point 213 (95/172) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -2.836 16.489 4.713) 17.382 1.259 ( 5.978 12.966 3.485) 14.697 1.725 ( -10.176 7.360 9.225) 15.583 2.230 ( -3.486 30.335 -7.712) 31.493 2.417 ( -1.178 10.434 -10.103) 14.571 2.556 ( -2.916 4.970 3.404) 6.692 2.658 ( -0.068 5.280 5.694) 7.765 2.708 ( 0.388 25.388 -1.064) 25.413 2.929 ( 4.392 1.889 -1.510) 5.014 3.157 ( -0.979 6.774 -2.493) 7.285 3.346 ( 6.883 8.157 4.907) 11.747 3.588 ( 1.480 2.982 3.390) 4.752 3.975 ( 0.144 -0.052 -12.339) 12.340 4.065 ( 0.116 14.261 4.343) 14.908 4.251 ( 6.718 -3.296 -7.891) 10.875 4.521 ( -3.846 2.105 -2.394) 4.996 4.697 ( 1.621 -0.058 2.037) 2.603 4.716 ( -4.388 2.001 1.397) 5.021 4.760 ( -0.203 -1.102 1.994) 2.287 4.935 ( -1.891 0.501 -1.263) 2.329 5.086 ( -1.548 2.344 -5.338) 6.032 5.245 ( 3.928 -2.780 0.496) 4.838 5.289 ( -2.618 -7.303 -1.638) 7.929 5.650 ( -2.361 4.616 0.469) 5.206 5.697 ( 0.721 -2.713 3.808) 4.731 5.917 ( -1.480 0.602 -1.636) 2.287 6.021 ( 3.579 -4.570 5.785) 8.194 6.123 ( 0.725 4.475 -2.513) 5.183 6.366 ( -6.124 1.030 -0.252) 6.215 6.647 ( 1.385 -1.339 -1.524) 2.457 6.764 ( 0.698 -2.443 3.440) 4.277 7.052 ( -2.282 -4.813 -2.946) 6.087 7.511 ( 5.515 -7.194 -0.333) 9.071 7.615 ( 5.362 4.617 1.857) 7.316 7.735 ( 0.296 -3.549 1.646) 3.923 7.900 ( -0.589 4.147 2.115) 4.692 8.125 ( 0.310 -2.540 0.765) 2.671 8.201 ( -0.370 -1.261 -2.363) 2.704 8.331 ( -0.732 4.960 4.183) 6.530 8.459 ( 3.642 8.357 -0.208) 9.118 8.696 ( 0.001 3.358 2.860) 4.411 8.970 ( -1.460 -2.301 -2.579) 3.752 9.323 ( 4.126 -0.366 -0.890) 4.237 9.579 ( -5.566 -3.890 3.869) 7.815 9.867 ( 0.314 -6.196 3.876) 7.315 10.167 ( -0.849 -7.181 -1.068) 7.309 10.291 ( 0.380 -6.330 -0.786) 6.390 11.003 ( -4.512 13.377 -0.891) 14.145 11.659 ( 4.557 17.270 -0.685) 17.874 12.606 ( 1.908 6.857 3.425) 7.899 12.833 ( -0.830 -1.613 -1.093) 2.118 13.011 ( 5.793 12.051 -3.038) 13.712 13.733 ( -0.436 -2.600 0.477) 2.679 13.854 ( -3.723 -5.050 -1.661) 6.490 14.074 ( -6.778 2.055 2.938) 7.668 14.463 ( -4.067 -7.466 -6.179) 10.510 15.341 ( 1.359 -9.010 16.055) 18.461 16.179 ( -0.803 -2.646 -8.233) 8.685 16.292 ( -0.760 -6.291 -10.062) 11.891 17.239 ( 5.214 -5.608 7.043) 10.404 ======================= Grid point 214 (96/172) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 6.487 11.057 15.917) 20.438 1.040 ( 8.972 19.692 14.695) 26.157 1.521 ( -2.347 14.235 -1.370) 14.492 1.718 ( -6.247 8.908 3.009) 11.288 2.104 ( -4.101 18.807 0.996) 19.275 2.229 ( -2.962 20.276 -3.425) 20.775 2.396 ( -8.058 4.129 -2.099) 9.295 2.791 ( 6.051 -7.535 -1.123) 9.729 2.874 ( 3.880 5.953 0.574) 7.128 3.100 ( 0.932 0.806 -0.673) 1.404 3.232 ( 4.518 9.009 0.958) 10.124 3.578 ( 1.074 0.225 0.632) 1.267 3.797 ( -1.242 11.877 2.691) 12.241 3.979 ( -0.055 -1.599 -17.733) 17.805 4.394 ( 7.127 -5.034 -3.417) 9.371 4.436 ( -9.797 0.265 -1.744) 9.954 4.628 ( 0.015 5.479 4.773) 7.267 4.726 ( 0.067 -2.316 -2.444) 3.368 4.819 ( 2.264 -3.047 -1.922) 4.255 4.942 ( -1.637 -1.012 -4.458) 4.855 5.045 ( -2.185 -2.379 0.362) 3.250 5.297 ( -4.792 2.070 0.260) 5.227 5.339 ( 3.978 -1.951 -1.142) 4.575 5.541 ( -4.960 3.934 5.254) 8.227 5.782 ( 3.341 -2.870 2.620) 5.125 5.888 ( -0.570 2.096 -1.721) 2.771 6.031 ( -0.345 1.732 -1.451) 2.286 6.127 ( -0.245 -2.438 4.438) 5.070 6.289 ( -0.364 3.180 -1.136) 3.397 6.676 ( 0.452 -0.873 0.174) 0.998 6.889 ( 2.742 -8.656 3.308) 9.663 7.110 ( -2.195 -4.182 -1.091) 4.848 7.441 ( 5.200 12.284 -6.532) 14.853 7.711 ( -3.081 -8.331 4.638) 10.021 7.765 ( 3.032 3.193 4.595) 6.365 7.934 ( 2.582 -6.296 1.181) 6.907 8.104 ( -2.158 6.129 1.670) 6.709 8.178 ( 0.359 0.359 -0.372) 0.630 8.305 ( -0.111 -0.739 0.080) 0.751 8.377 ( 2.111 4.058 -0.044) 4.575 8.658 ( 3.634 2.223 3.541) 5.540 9.004 ( -4.497 -3.443 -3.650) 6.738 9.365 ( 5.250 0.141 -2.979) 6.038 9.594 ( -3.503 -2.331 3.428) 5.427 10.011 ( 1.986 -7.255 4.727) 8.884 10.256 ( -1.690 -4.094 -1.349) 4.630 10.410 ( 0.638 -6.003 0.260) 6.042 10.770 ( -3.193 8.348 -0.361) 8.945 11.391 ( 2.652 14.319 -3.029) 14.874 12.520 ( 1.483 4.252 4.576) 6.420 12.872 ( 2.191 5.759 -2.222) 6.550 12.892 ( 0.306 -4.293 -0.342) 4.318 13.712 ( 2.564 3.318 0.855) 4.280 13.810 ( -7.767 5.472 -1.265) 9.585 14.089 ( 6.753 -2.934 1.275) 7.472 14.499 ( -10.800 -3.929 -6.952) 13.431 15.503 ( 1.926 -5.098 11.126) 12.389 16.165 ( -4.650 -0.084 -10.150) 11.164 16.400 ( -0.745 -6.087 -0.044) 6.132 17.425 ( 7.999 -6.966 4.435) 11.497 ======================= Grid point 216 (97/172) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 9.674 -0.000 10.767) 14.475 1.193 ( 6.390 -0.000 14.489) 15.836 1.333 ( -2.105 0.000 -7.817) 8.096 1.726 ( 2.591 -0.000 -10.720) 11.029 1.796 ( 9.452 -0.000 -6.730) 11.603 1.979 ( 1.007 -0.000 0.048) 1.009 2.307 ( 5.204 -0.000 22.442) 23.038 2.841 ( 0.685 -0.000 -1.754) 1.883 2.937 ( -5.775 0.000 1.939) 6.092 3.113 ( 2.216 -0.000 2.969) 3.705 3.129 ( -3.743 0.000 -4.659) 5.977 3.626 ( -3.778 0.000 4.237) 5.677 3.667 ( 6.779 -0.000 -10.966) 12.893 3.915 ( -0.897 0.000 -17.230) 17.253 4.143 ( -11.033 0.000 5.166) 12.183 4.523 ( -2.098 0.000 1.019) 2.332 4.612 ( 0.866 -0.000 -0.399) 0.954 4.803 ( 5.326 -0.000 -1.540) 5.544 4.887 ( -0.496 0.000 -5.675) 5.697 4.894 ( 1.413 -0.000 -5.126) 5.317 5.044 ( 1.025 -0.000 9.121) 9.178 5.172 ( -4.326 0.000 -0.129) 4.328 5.431 ( 0.770 -0.000 -4.752) 4.814 5.452 ( -1.015 0.000 11.188) 11.234 5.807 ( -1.872 0.000 -1.275) 2.265 5.893 ( -0.067 0.000 1.448) 1.450 5.993 ( -1.273 0.000 0.394) 1.333 6.071 ( -0.390 0.000 -0.532) 0.660 6.417 ( 6.386 -0.000 -4.404) 7.758 6.667 ( -1.214 0.000 0.811) 1.460 6.940 ( -6.739 0.000 7.549) 10.119 7.183 ( -1.221 0.000 -1.399) 1.857 7.292 ( 1.057 -0.000 -7.816) 7.887 7.761 ( -0.394 0.000 1.062) 1.133 7.810 ( -4.102 0.000 7.334) 8.403 7.983 ( 4.775 -0.000 1.619) 5.042 8.109 ( -2.811 0.000 0.290) 2.825 8.152 ( -1.950 0.000 -3.770) 4.245 8.269 ( 0.584 -0.000 0.424) 0.722 8.368 ( 1.165 -0.000 -1.075) 1.585 8.646 ( -9.817 0.000 13.326) 16.552 8.852 ( -0.688 0.000 -9.142) 9.168 9.383 ( -1.303 0.000 -3.627) 3.854 9.766 ( 9.747 -0.000 -1.761) 9.904 10.118 ( -0.996 0.000 0.134) 1.005 10.282 ( 0.498 -0.000 0.004) 0.498 10.512 ( 1.450 -0.000 -0.352) 1.492 10.659 ( 1.507 -0.000 2.015) 2.516 11.309 ( 4.298 -0.000 -4.509) 6.229 12.466 ( -4.383 0.000 4.703) 6.429 12.748 ( -5.878 0.000 -1.551) 6.079 12.993 ( 0.640 -0.000 -2.743) 2.817 13.582 ( -2.062 0.000 2.796) 3.474 13.890 ( 11.767 -0.000 -3.415) 12.252 14.041 ( -16.980 0.000 1.202) 17.023 14.352 ( 7.313 -0.000 5.598) 9.209 15.707 ( 5.702 -0.000 11.528) 12.861 16.081 ( 1.939 -0.000 -9.458) 9.655 16.495 ( 2.021 -0.000 0.919) 2.220 17.581 ( -3.040 0.000 -4.698) 5.595 ======================= Grid point 217 (98/172) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 6.677 -10.284 0.692) 12.281 1.312 ( 1.867 -6.904 5.361) 8.938 1.504 ( 3.529 -21.799 -1.176) 22.114 1.770 ( 11.195 -3.947 -6.416) 13.494 1.988 ( 2.665 -10.766 -11.947) 16.301 2.218 ( 2.421 -21.515 0.751) 21.664 2.461 ( 6.220 -6.681 16.656) 18.993 2.823 ( 0.308 1.640 7.091) 7.285 2.947 ( -1.025 -7.067 -1.642) 7.327 3.107 ( -0.811 0.519 -1.712) 1.964 3.212 ( -2.190 -9.197 -1.867) 9.636 3.670 ( 0.595 -2.263 -3.304) 4.048 3.718 ( -2.688 -7.916 -0.190) 8.362 3.901 ( -1.020 -1.123 -15.482) 15.557 4.054 ( -6.745 1.280 6.681) 9.580 4.479 ( -1.651 2.250 -1.608) 3.221 4.614 ( -3.269 -1.150 1.783) 3.897 4.811 ( 5.040 3.651 -0.822) 6.278 4.870 ( -0.291 0.875 -3.832) 3.941 4.929 ( 1.931 -1.399 -5.073) 5.606 5.013 ( 0.197 3.858 4.202) 5.708 5.157 ( -2.062 -1.441 1.765) 3.072 5.391 ( -1.961 3.208 -1.975) 4.247 5.525 ( 1.279 -6.030 9.750) 11.535 5.802 ( -2.410 -1.825 -3.657) 4.745 5.906 ( -4.393 -3.443 -2.008) 5.932 5.981 ( 4.709 2.567 1.510) 5.571 6.128 ( 0.905 -5.205 3.389) 6.277 6.328 ( -0.820 9.483 -2.952) 9.966 6.701 ( 0.554 -2.264 -0.075) 2.332 6.892 ( -3.520 1.083 2.940) 4.712 7.058 ( -0.775 7.745 0.719) 7.816 7.390 ( -2.567 -7.062 -6.386) 9.861 7.708 ( -4.084 3.781 4.500) 7.157 7.836 ( 0.062 7.612 2.154) 7.911 7.845 ( -4.884 -0.993 0.452) 5.004 8.094 ( -2.013 -2.704 0.827) 3.471 8.238 ( 0.058 1.388 -0.376) 1.439 8.274 ( 2.875 -5.877 -0.314) 6.550 8.416 ( 0.356 -4.077 -1.776) 4.461 8.594 ( -7.045 -1.805 11.057) 13.234 8.866 ( 1.513 -1.558 -7.283) 7.600 9.359 ( -1.891 0.829 -3.095) 3.721 9.803 ( 8.423 4.499 -0.739) 9.578 10.043 ( -1.384 6.465 0.823) 6.662 10.243 ( 1.065 4.156 1.219) 4.461 10.440 ( 1.266 7.127 -0.712) 7.273 10.778 ( 3.228 -9.094 1.183) 9.722 11.470 ( 3.117 -12.627 -4.995) 13.932 12.467 ( -6.414 -4.663 4.987) 9.367 12.732 ( -6.828 -3.949 -2.258) 8.204 12.923 ( 1.146 4.916 -1.772) 5.350 13.665 ( -0.738 -4.759 4.819) 6.813 13.834 ( -4.015 1.824 -0.860) 4.493 14.127 ( 4.582 -8.438 -2.545) 9.933 14.387 ( 7.743 3.432 3.471) 9.154 15.706 ( 3.264 6.167 15.467) 16.968 16.087 ( 3.290 0.915 -12.496) 12.954 16.438 ( 1.650 7.655 -0.997) 7.895 17.468 ( -4.375 6.954 -2.838) 8.691 ======================= Grid point 218 (99/172) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 1.347 -5.874 -6.295) 8.714 1.526 ( 7.625 -12.686 -2.234) 14.969 1.880 ( 14.441 -3.712 -1.431) 14.979 2.028 ( 3.435 -15.622 4.479) 16.611 2.302 ( 1.409 -25.228 -8.995) 26.820 2.535 ( -2.642 -4.385 0.507) 5.145 2.723 ( 2.517 -25.002 -0.663) 25.137 2.926 ( 3.713 -6.585 10.866) 13.236 3.023 ( -2.858 0.079 -4.409) 5.255 3.139 ( 0.905 -6.627 -1.087) 6.776 3.369 ( -2.411 -9.453 -3.786) 10.465 3.706 ( 0.895 -2.919 1.101) 3.246 3.874 ( -5.480 -6.885 5.929) 10.611 3.881 ( -3.267 -1.867 -15.545) 15.994 4.067 ( -1.530 -9.101 3.715) 9.948 4.435 ( -1.286 0.147 0.275) 1.323 4.611 ( -3.043 -1.284 3.014) 4.471 4.780 ( 2.496 2.703 2.507) 4.452 4.835 ( -0.782 2.419 2.052) 3.267 4.896 ( -2.691 2.095 -4.758) 5.854 4.997 ( 2.520 -0.007 -0.318) 2.540 5.191 ( 2.500 -0.656 5.354) 5.945 5.295 ( -3.035 3.145 -4.621) 6.361 5.690 ( 3.204 -8.186 6.665) 11.031 5.821 ( -1.312 -0.903 -7.772) 7.934 5.927 ( 1.527 -1.072 0.485) 1.927 5.975 ( -1.514 -0.214 1.102) 1.885 6.157 ( -3.197 4.454 -2.694) 6.109 6.253 ( 3.098 -4.457 4.485) 7.041 6.715 ( -1.209 1.353 0.410) 1.860 6.814 ( 0.832 5.620 -0.216) 5.686 6.949 ( -2.209 2.457 3.864) 5.084 7.379 ( -3.560 8.399 -3.496) 9.769 7.585 ( -6.405 5.101 2.766) 8.643 7.676 ( -5.452 -4.065 0.625) 6.829 7.991 ( 0.932 -8.430 2.375) 8.807 8.116 ( -1.352 -1.297 -0.715) 2.006 8.174 ( 3.118 5.562 -3.428) 7.240 8.402 ( -1.303 -5.424 3.667) 6.676 8.504 ( -1.062 -5.282 -2.452) 5.920 8.629 ( 0.228 -5.025 5.315) 7.318 8.912 ( 1.308 -2.989 -5.464) 6.364 9.314 ( -2.479 1.690 -1.895) 3.549 9.739 ( 5.037 9.165 2.503) 10.754 9.908 ( 0.511 6.898 1.171) 7.015 10.163 ( 0.050 5.467 1.395) 5.642 10.308 ( 1.151 7.981 -1.797) 8.261 11.027 ( 4.528 -14.156 1.339) 14.923 11.752 ( 0.494 -16.448 -5.241) 17.270 12.534 ( -8.183 -8.850 5.886) 13.414 12.729 ( -3.459 -0.410 -2.293) 4.170 12.915 ( -1.711 -4.957 -2.207) 5.689 13.587 ( -2.137 7.868 3.396) 8.832 13.941 ( 1.179 -9.405 -0.616) 9.499 14.215 ( 6.530 6.403 4.620) 10.247 14.439 ( 10.909 -1.977 -4.626) 12.013 15.579 ( 1.130 11.605 18.513) 21.879 16.061 ( 1.218 2.840 -16.138) 16.431 16.274 ( 0.180 9.642 -2.600) 9.988 17.296 ( -3.760 7.038 0.022) 7.979 ======================= Grid point 219 (100/172) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 1.917 -2.562 -10.212) 10.701 1.807 ( 7.185 -8.741 -16.537) 20.038 2.024 ( 9.162 -3.980 10.639) 14.594 2.289 ( 3.563 -8.859 3.952) 10.335 2.544 ( 1.700 -2.789 0.043) 3.267 2.776 ( -2.102 -15.253 2.640) 15.622 2.940 ( -0.159 -0.185 -5.131) 5.137 3.076 ( -0.881 -7.035 -3.567) 7.936 3.162 ( 0.184 -17.001 0.713) 17.017 3.250 ( -3.962 -6.338 -5.572) 9.322 3.466 ( 0.394 -3.124 -0.573) 3.200 3.758 ( -4.012 -3.703 -1.680) 5.712 3.883 ( -1.692 -2.466 -13.632) 13.956 3.986 ( 1.903 -10.288 2.583) 10.776 4.295 ( -4.029 -14.175 4.301) 15.351 4.474 ( 0.463 -4.018 5.627) 6.930 4.616 ( -0.340 -0.777 2.643) 2.775 4.766 ( -3.349 -0.196 5.183) 6.174 4.801 ( -1.010 0.955 3.049) 3.351 4.852 ( 2.818 0.338 2.111) 3.537 5.051 ( 0.666 -4.339 0.716) 4.447 5.175 ( -1.878 2.058 1.687) 3.257 5.269 ( 2.621 0.400 -0.971) 2.823 5.740 ( 0.154 6.190 -9.405) 11.260 5.853 ( 2.362 -5.793 0.950) 6.328 5.946 ( -4.222 0.685 0.616) 4.321 6.045 ( 5.483 -5.968 5.270) 9.668 6.110 ( -2.720 -2.440 -6.529) 7.481 6.338 ( 3.469 -0.832 5.165) 6.277 6.599 ( -2.057 6.908 0.269) 7.213 6.783 ( 0.359 0.099 0.186) 0.416 6.926 ( -0.429 -0.286 3.293) 3.333 7.128 ( -2.944 12.597 -1.748) 13.054 7.436 ( -5.952 5.140 2.477) 8.245 7.781 ( -3.586 -7.574 2.274) 8.683 8.039 ( 0.223 6.839 -2.176) 7.181 8.079 ( -0.477 -1.278 0.347) 1.407 8.239 ( 2.022 -8.825 -4.021) 9.906 8.453 ( -3.283 -1.881 4.673) 6.013 8.561 ( -0.328 -2.606 -2.369) 3.537 8.790 ( 3.396 -9.248 0.191) 9.854 8.985 ( 1.407 -4.183 -4.021) 5.970 9.256 ( -2.831 1.945 -0.352) 3.453 9.588 ( 2.068 10.166 4.143) 11.171 9.807 ( 1.329 5.564 2.176) 6.121 10.042 ( -0.834 7.670 2.811) 8.211 10.181 ( 0.633 6.242 -3.821) 7.346 11.353 ( 4.760 -16.351 1.601) 17.105 12.043 ( -1.162 -15.967 -5.468) 16.918 12.641 ( -9.607 -8.893 6.247) 14.506 12.707 ( 0.359 -0.321 -0.937) 1.054 13.030 ( -5.057 -10.154 -4.383) 12.161 13.440 ( -1.433 5.731 1.313) 6.052 14.039 ( 0.253 5.119 -0.382) 5.140 14.120 ( 7.417 5.030 6.491) 11.065 14.572 ( 19.222 2.523 -4.999) 20.021 15.358 ( -1.383 14.453 19.586) 24.380 15.963 ( -5.128 2.852 -18.718) 19.616 16.138 ( 0.483 4.854 -3.120) 5.791 17.164 ( -2.589 4.514 2.160) 5.634 ======================= Grid point 220 (101/172) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 4.263 0.117 -12.307) 13.025 1.878 ( 2.217 1.264 -22.564) 22.707 2.213 ( 3.404 -5.970 19.003) 20.207 2.404 ( 0.099 -2.606 -0.351) 2.631 2.651 ( 4.717 -3.794 4.573) 7.587 2.757 ( -4.160 3.134 0.414) 5.225 3.070 ( 1.901 -5.599 -0.129) 5.914 3.108 ( -6.637 0.729 -2.220) 7.036 3.264 ( 3.517 -0.717 -9.782) 10.420 3.342 ( -1.536 -4.345 1.240) 4.772 3.634 ( 1.228 -11.500 -1.963) 11.731 3.797 ( 1.934 -2.307 -8.829) 9.329 3.878 ( -4.266 -2.182 -11.539) 12.494 4.244 ( 2.233 -12.070 2.306) 12.490 4.460 ( -2.986 -7.082 2.624) 8.122 4.554 ( 0.385 -2.591 5.863) 6.422 4.650 ( 0.490 -2.462 2.610) 3.621 4.731 ( -1.984 1.207 2.081) 3.118 4.806 ( -2.820 -2.776 5.515) 6.788 4.921 ( 2.054 -3.038 5.710) 6.786 5.125 ( -5.326 -2.377 1.868) 6.124 5.175 ( 3.432 -3.908 5.723) 7.733 5.271 ( 2.529 2.227 1.792) 3.817 5.635 ( -0.238 3.309 -9.853) 10.396 5.872 ( -7.253 1.173 0.647) 7.376 5.929 ( 4.257 1.739 -2.187) 5.092 6.099 ( 3.202 1.286 0.073) 3.451 6.227 ( 0.438 -6.187 -2.573) 6.715 6.349 ( 0.916 2.141 3.750) 4.414 6.539 ( 1.200 -2.317 1.775) 3.156 6.756 ( 0.245 3.849 -5.149) 6.433 6.901 ( -1.817 3.269 1.833) 4.165 6.978 ( 0.756 0.638 3.277) 3.423 7.325 ( -2.826 2.390 1.830) 4.129 7.807 ( -0.194 3.862 3.288) 5.076 7.931 ( -2.745 1.781 0.446) 3.302 8.142 ( -0.328 -6.003 -3.331) 6.873 8.379 ( -3.498 -3.698 0.172) 5.093 8.455 ( 2.348 -1.908 -0.320) 3.042 8.590 ( 0.067 -0.513 -2.347) 2.403 8.983 ( 1.951 -8.399 -1.225) 8.709 9.060 ( 2.052 -1.954 -3.281) 4.335 9.204 ( -2.689 0.627 1.341) 3.069 9.439 ( 1.150 7.778 4.072) 8.855 9.740 ( 0.366 2.469 3.721) 4.480 9.893 ( -0.988 7.423 3.924) 8.454 10.089 ( 0.044 3.590 -4.955) 6.119 11.664 ( 2.798 -12.344 0.936) 12.692 12.272 ( 0.800 -9.176 -2.676) 9.591 12.635 ( -3.481 1.098 -0.095) 3.651 12.801 ( -3.191 -8.627 4.510) 10.245 13.150 ( -4.057 -7.011 -6.842) 10.603 13.398 ( -7.519 -5.882 -0.436) 9.556 13.883 ( -0.530 7.567 2.910) 8.125 14.088 ( 8.092 8.739 5.303) 13.037 14.600 ( 24.235 17.330 -5.976) 30.387 15.125 ( -7.038 6.670 19.718) 21.974 15.897 ( -6.057 -4.043 -16.938) 18.437 16.081 ( 0.799 1.832 -5.217) 5.586 17.091 ( -1.378 2.118 3.675) 4.460 ======================= Grid point 221 (102/172) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 6.698 1.910 -11.209) 13.197 1.785 ( -2.276 6.072 -18.802) 19.889 2.281 ( -3.308 2.462 19.332) 19.767 2.423 ( 1.257 -0.107 -1.470) 1.937 2.624 ( -1.304 2.538 2.030) 3.501 2.761 ( -2.335 -0.034 -0.679) 2.432 2.989 ( -2.349 3.071 -2.061) 4.381 3.176 ( 0.859 -2.080 0.019) 2.250 3.366 ( 8.537 -7.641 -6.606) 13.225 3.404 ( 1.348 -1.884 1.131) 2.578 3.697 ( -1.604 2.551 -3.263) 4.442 3.793 ( -3.054 2.214 -14.135) 14.630 3.930 ( 6.557 -0.771 -2.187) 6.955 4.372 ( 2.019 1.493 1.753) 3.062 4.538 ( -0.119 -2.217 -2.097) 3.054 4.603 ( -1.803 -5.060 1.645) 5.618 4.692 ( -3.132 -0.679 6.082) 6.874 4.719 ( 3.271 -1.179 3.160) 4.699 4.816 ( -5.636 -0.607 3.353) 6.586 4.985 ( -0.106 -2.108 6.724) 7.048 5.103 ( -5.661 0.483 3.105) 6.475 5.232 ( 2.311 3.966 1.662) 4.882 5.268 ( 1.718 -1.884 2.104) 3.306 5.608 ( -0.257 -0.544 -2.692) 2.758 5.787 ( -6.756 0.560 -2.261) 7.146 5.884 ( 3.669 4.902 -3.635) 7.121 6.078 ( 1.325 3.326 0.974) 3.711 6.287 ( 0.775 -0.558 0.814) 1.255 6.324 ( -1.888 -0.109 -0.165) 1.898 6.588 ( 0.149 1.430 -1.525) 2.096 6.734 ( 5.573 -2.149 -5.288) 7.977 6.894 ( -2.850 -2.428 2.947) 4.764 6.997 ( 1.167 -2.778 3.811) 4.858 7.324 ( 1.966 -2.216 1.507) 3.324 7.729 ( -1.218 1.881 0.509) 2.298 7.923 ( -0.989 -1.909 3.661) 4.245 8.225 ( 1.436 -0.856 -2.481) 2.992 8.331 ( -4.557 2.126 3.790) 6.297 8.548 ( 2.146 -2.975 -5.633) 6.722 8.572 ( 0.774 1.438 -0.611) 1.744 9.035 ( -0.913 2.996 -1.219) 3.361 9.081 ( 0.358 2.263 -1.306) 2.638 9.217 ( 0.160 -3.401 0.543) 3.448 9.359 ( 0.179 1.347 3.924) 4.152 9.734 ( -0.606 -0.348 4.303) 4.359 9.811 ( -0.312 -0.012 4.051) 4.063 10.048 ( 0.284 0.084 -5.424) 5.432 11.768 ( -1.856 2.744 -0.997) 3.459 12.370 ( 7.559 2.995 3.161) 8.723 12.602 ( -1.890 -1.402 0.055) 2.354 12.954 ( -1.787 -9.858 1.596) 10.145 13.180 ( -2.281 -0.895 -7.545) 7.933 13.484 ( -14.155 -12.004 -1.277) 18.604 13.810 ( -0.252 1.645 3.980) 4.313 14.022 ( 4.051 1.179 2.721) 5.021 14.322 ( 14.267 27.762 -3.438) 31.402 15.077 ( -2.798 -1.558 18.113) 18.394 15.957 ( -1.425 -6.894 -14.304) 15.943 16.073 ( 1.025 -1.067 -8.300) 8.431 17.069 ( -0.212 0.079 4.789) 4.794 ======================= Grid point 222 (103/172) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 9.090 4.957 -6.457) 12.203 1.588 ( -4.990 9.544 -12.165) 16.248 2.101 ( -7.908 11.374 11.601) 18.069 2.444 ( 2.320 -0.070 -0.518) 2.378 2.640 ( 1.323 -0.705 4.063) 4.331 2.664 ( -3.761 3.994 -3.648) 6.589 2.954 ( -0.544 0.458 -2.842) 2.930 3.199 ( -0.238 0.176 -1.497) 1.526 3.407 ( 3.949 5.338 -0.648) 6.672 3.527 ( 4.200 13.924 -0.534) 14.554 3.569 ( 3.821 -0.035 -3.871) 5.439 3.687 ( -1.322 3.121 -6.609) 7.427 3.974 ( 4.710 -1.350 -1.528) 5.132 4.237 ( 1.576 12.489 -0.389) 12.594 4.499 ( -1.806 4.055 -0.525) 4.470 4.667 ( -0.660 0.777 5.430) 5.524 4.705 ( -3.449 -1.383 -1.233) 3.915 4.749 ( -1.606 2.722 2.848) 4.254 4.802 ( 1.485 -5.425 -0.879) 5.693 4.976 ( -4.238 3.701 2.632) 6.212 5.039 ( -3.707 -1.546 5.664) 6.943 5.178 ( 0.809 4.056 3.821) 5.631 5.281 ( 0.594 1.288 -5.498) 5.679 5.599 ( -1.360 -0.402 -1.668) 2.190 5.767 ( -0.378 -1.030 -1.062) 1.527 5.861 ( 1.261 -1.020 0.516) 1.702 6.012 ( -0.316 4.187 0.879) 4.290 6.274 ( 2.572 3.558 -0.114) 4.391 6.303 ( -5.412 -1.246 -1.143) 5.670 6.581 ( 1.050 -1.202 -1.444) 2.152 6.799 ( 3.551 0.572 -0.251) 3.606 6.897 ( -3.100 -2.306 -0.664) 3.920 7.157 ( 3.571 -10.117 1.646) 10.854 7.417 ( 2.383 -5.102 3.099) 6.427 7.746 ( -1.241 -4.523 1.395) 4.893 7.983 ( 1.416 -3.557 2.619) 4.639 8.158 ( 4.139 8.610 -4.036) 10.371 8.260 ( -6.135 2.299 4.647) 8.032 8.511 ( 1.073 4.237 2.956) 5.277 8.625 ( 1.626 -2.435 -5.818) 6.513 8.899 ( -0.698 9.958 0.410) 9.991 9.019 ( -0.590 2.888 -2.417) 3.812 9.276 ( 1.349 -1.943 2.274) 3.281 9.398 ( -1.851 -4.878 2.963) 6.000 9.739 ( -0.695 -0.821 3.173) 3.351 9.883 ( -0.828 -6.661 2.923) 7.321 10.088 ( 1.237 -4.148 -4.878) 6.521 11.567 ( -3.238 14.487 -1.406) 14.911 12.276 ( 7.806 14.267 3.063) 16.548 12.647 ( -1.069 -3.371 -1.001) 3.676 13.026 ( -2.081 3.875 6.508) 7.855 13.243 ( 6.251 -7.307 -9.052) 13.206 13.543 ( -14.951 -8.534 1.083) 17.249 13.783 ( 0.656 4.473 1.492) 4.760 13.970 ( 0.497 11.436 0.026) 11.446 14.150 ( 0.202 -10.125 -3.683) 10.776 15.124 ( 0.799 -2.335 19.351) 19.508 16.045 ( 0.355 -4.139 -7.225) 8.334 16.127 ( 1.833 -4.518 -16.300) 17.014 17.096 ( 1.113 -2.099 5.537) 6.025 ======================= Grid point 223 (104/172) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.386 14.838 -0.899) 14.871 1.486 ( 7.227 6.185 -1.009) 9.566 1.826 ( -7.381 11.537 6.563) 15.187 2.442 ( -2.960 4.338 -3.908) 6.546 2.506 ( -0.776 4.021 -9.726) 10.553 2.669 ( 0.541 4.280 5.144) 6.714 2.949 ( 1.288 -0.610 -3.130) 3.439 3.065 ( 2.112 25.801 1.244) 25.917 3.125 ( 2.031 16.460 2.696) 16.802 3.302 ( -1.134 11.961 -6.446) 13.635 3.518 ( 5.049 4.247 6.710) 9.410 3.658 ( 1.693 3.801 -1.806) 4.536 4.016 ( 0.056 3.998 -4.544) 6.053 4.137 ( 3.816 -3.563 -3.431) 6.247 4.368 ( -0.989 9.283 -0.680) 9.360 4.565 ( -6.418 6.688 0.282) 9.274 4.656 ( -2.755 0.551 -1.158) 3.039 4.737 ( 3.261 0.540 -0.937) 3.436 4.804 ( -2.104 3.910 6.694) 8.033 4.922 ( -3.553 -0.545 -0.794) 3.681 5.099 ( 0.410 -1.817 -1.639) 2.481 5.128 ( -2.980 -3.034 4.502) 6.193 5.259 ( 2.713 0.394 -4.462) 5.236 5.633 ( 0.285 -3.855 -1.858) 4.289 5.734 ( -0.847 4.709 -0.313) 4.795 5.933 ( -0.456 -0.487 5.549) 5.589 5.970 ( 4.781 -2.708 -0.090) 5.496 6.212 ( 1.181 4.641 -0.971) 4.886 6.282 ( -6.581 -2.227 -1.012) 7.021 6.629 ( 1.504 -2.526 -2.030) 3.572 6.780 ( 0.664 2.424 3.902) 4.641 6.943 ( -1.763 -4.487 -2.619) 5.486 7.372 ( 1.631 -10.206 -1.063) 10.390 7.546 ( 0.378 -7.104 5.217) 8.822 7.840 ( 2.161 -2.583 3.515) 4.868 7.970 ( 3.493 8.148 -3.474) 9.521 8.109 ( 2.202 -1.102 -1.630) 2.953 8.161 ( -5.149 1.063 2.696) 5.909 8.433 ( 0.656 5.652 4.516) 7.264 8.637 ( 2.184 4.271 -2.483) 5.402 8.727 ( -1.795 5.467 2.129) 6.136 8.967 ( 0.048 1.903 -4.024) 4.452 9.337 ( 3.559 -2.277 3.304) 5.364 9.465 ( -4.177 -4.280 3.074) 6.724 9.774 ( -0.434 -3.853 1.487) 4.152 10.021 ( -0.157 -8.204 1.716) 8.383 10.185 ( 0.691 -5.540 -3.605) 6.646 11.250 ( -2.264 16.530 -1.187) 16.727 12.030 ( 5.278 18.389 0.552) 19.139 12.682 ( -0.095 -1.090 -1.149) 1.587 12.881 ( -1.774 8.462 4.804) 9.891 13.281 ( 1.852 11.288 -4.333) 12.232 13.619 ( -1.331 -9.629 1.726) 9.873 13.714 ( -0.349 -3.314 0.251) 3.342 13.963 ( -5.822 -6.310 2.826) 9.039 14.302 ( -2.769 -7.208 -6.927) 10.374 15.234 ( 2.031 -6.330 18.554) 19.709 16.113 ( 0.437 -3.737 -6.331) 7.365 16.194 ( 0.441 -3.555 -16.255) 16.645 17.181 ( 2.523 -4.908 5.573) 7.843 ======================= Grid point 224 (105/172) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 8.101 13.125 9.091) 17.903 1.394 ( 6.319 11.415 12.006) 17.731 1.612 ( -3.113 6.393 -2.408) 7.507 2.139 ( -5.014 24.575 -9.138) 26.694 2.341 ( -2.041 13.984 -14.961) 20.580 2.560 ( 0.273 16.656 11.414) 20.193 2.641 ( -1.247 15.291 2.331) 15.518 2.759 ( 3.305 11.669 2.559) 12.395 3.006 ( 4.110 1.315 1.211) 4.482 3.128 ( -1.349 5.788 -3.395) 6.845 3.453 ( 2.820 9.380 0.839) 9.831 3.608 ( 2.496 1.877 -0.784) 3.220 3.955 ( -0.244 1.017 -9.716) 9.772 4.049 ( -2.731 14.991 4.292) 15.831 4.303 ( -3.575 -3.021 -6.693) 8.167 4.416 ( -1.968 1.824 -3.208) 4.182 4.662 ( 0.598 -2.311 -2.416) 3.397 4.721 ( -3.038 3.384 7.373) 8.662 4.787 ( 3.912 -2.456 -1.163) 4.763 4.910 ( -0.711 -0.691 0.578) 1.148 5.038 ( -3.015 2.492 -0.961) 4.028 5.222 ( -3.715 -4.898 -1.073) 6.240 5.319 ( 3.139 -3.298 -0.136) 4.556 5.614 ( -1.514 6.510 2.928) 7.297 5.739 ( 4.325 -5.631 -0.021) 7.100 5.907 ( -0.292 1.778 -2.373) 2.979 6.085 ( -0.314 -1.325 4.219) 4.433 6.123 ( 1.748 4.263 0.311) 4.618 6.272 ( -4.090 -2.249 -0.468) 4.691 6.680 ( 2.666 -0.680 -2.120) 3.474 6.784 ( 0.793 -3.719 3.058) 4.880 7.008 ( -2.173 -4.562 -0.881) 5.130 7.540 ( -2.976 -8.171 0.178) 8.698 7.665 ( 0.855 -1.220 0.615) 1.612 7.750 ( 2.113 5.615 -0.890) 6.065 7.954 ( 3.737 2.200 5.613) 7.093 8.104 ( -1.884 -2.952 -1.159) 3.689 8.182 ( -1.381 -0.756 -1.340) 2.067 8.340 ( 1.081 4.917 2.739) 5.732 8.514 ( 2.249 8.322 -0.273) 8.625 8.684 ( -2.481 -0.123 5.022) 5.602 8.942 ( -0.922 0.334 -5.145) 5.238 9.401 ( 2.506 -0.164 0.612) 2.585 9.515 ( -0.243 -4.915 3.353) 5.955 9.884 ( 0.733 -7.650 2.667) 8.135 10.156 ( -0.267 -5.998 0.387) 6.016 10.293 ( 0.265 -6.612 -2.025) 6.920 10.956 ( -0.885 13.710 -0.887) 13.767 11.723 ( 3.031 18.703 -2.424) 19.101 12.641 ( 0.821 6.852 5.177) 8.627 12.799 ( -2.255 -2.919 -1.956) 4.176 13.040 ( -1.852 11.695 -1.681) 11.960 13.727 ( -2.955 -4.705 3.075) 6.350 13.815 ( 2.120 -0.011 -1.793) 2.777 14.061 ( 3.837 -6.594 5.040) 9.144 14.339 ( -7.636 -2.703 -7.653) 11.143 15.416 ( 3.272 -8.344 13.854) 16.500 16.132 ( -1.469 0.320 -13.302) 13.387 16.274 ( 0.284 -6.849 -3.904) 7.889 17.330 ( 3.035 -8.136 3.969) 9.548 ======================= Grid point 227 (106/172) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.260 -0.000 -3.322) 4.654 1.305 ( 3.313 -0.000 -3.809) 5.049 1.313 ( 9.566 -0.000 -0.609) 9.586 1.778 ( 4.766 -0.000 -4.335) 6.442 1.998 ( 13.274 -0.000 -5.526) 14.378 2.028 ( 3.941 -0.000 2.191) 4.509 2.488 ( 6.897 -0.000 14.721) 16.256 2.821 ( -2.797 0.000 -2.309) 3.627 2.884 ( -0.242 0.000 7.430) 7.433 3.015 ( -7.245 0.000 -7.747) 10.607 3.177 ( 4.449 -0.000 3.597) 5.721 3.564 ( -4.161 0.000 4.120) 5.856 3.703 ( 0.163 -0.000 -5.866) 5.868 3.859 ( -1.595 0.000 -15.163) 15.247 4.045 ( -1.380 0.000 8.532) 8.643 4.477 ( -3.720 0.000 1.509) 4.014 4.580 ( -2.935 0.000 -3.926) 4.902 4.874 ( 0.312 -0.000 -5.978) 5.986 4.893 ( 0.027 -0.000 -6.046) 6.046 4.897 ( 3.930 -0.000 1.216) 4.114 5.071 ( -6.645 0.000 -1.078) 6.732 5.128 ( 6.083 -0.000 6.042) 8.574 5.408 ( -1.571 0.000 -3.257) 3.616 5.473 ( 0.109 -0.000 12.489) 12.489 5.778 ( -1.456 0.000 -0.292) 1.485 5.828 ( -3.847 0.000 -2.998) 4.877 6.052 ( -1.337 0.000 -2.188) 2.564 6.057 ( 4.161 -0.000 6.560) 7.768 6.451 ( -1.556 0.000 -6.599) 6.780 6.650 ( -0.736 0.000 0.850) 1.124 6.852 ( -4.040 0.000 6.892) 7.989 7.151 ( -2.583 0.000 -0.867) 2.725 7.270 ( -1.964 0.000 -6.378) 6.673 7.715 ( -8.526 0.000 6.229) 10.559 7.768 ( 1.807 -0.000 -1.575) 2.397 8.028 ( -9.340 0.000 0.660) 9.363 8.035 ( -1.635 0.000 1.213) 2.036 8.099 ( 3.474 -0.000 1.155) 3.661 8.297 ( 0.800 -0.000 0.340) 0.870 8.383 ( 1.071 -0.000 -1.907) 2.188 8.525 ( -5.067 0.000 7.690) 9.209 8.874 ( 3.732 -0.000 -4.130) 5.566 9.352 ( -1.250 0.000 -3.673) 3.880 9.907 ( 6.597 -0.000 -2.196) 6.953 10.082 ( -2.753 0.000 0.064) 2.754 10.305 ( 1.773 -0.000 1.480) 2.309 10.531 ( 0.951 -0.000 -1.786) 2.023 10.718 ( 4.599 -0.000 2.531) 5.249 11.380 ( 4.984 -0.000 -5.173) 7.183 12.367 ( -7.857 0.000 4.510) 9.060 12.629 ( -6.923 0.000 -2.212) 7.268 12.987 ( -0.400 0.000 -2.994) 3.021 13.596 ( 2.107 -0.000 5.933) 6.296 13.829 ( -7.396 0.000 2.919) 7.951 14.087 ( 11.695 -0.000 -5.229) 12.811 14.482 ( 5.158 -0.000 3.217) 6.079 15.801 ( 1.359 -0.000 17.410) 17.463 16.127 ( 5.622 -0.000 -11.535) 12.833 16.531 ( 2.170 -0.000 -1.080) 2.424 17.486 ( -5.676 0.000 -5.080) 7.618 ======================= Grid point 228 (107/172) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -1.554 -9.958 -10.866) 14.820 1.429 ( 11.584 -6.680 -2.899) 13.682 1.630 ( 9.372 -24.034 1.788) 25.859 1.925 ( 7.441 -8.914 -0.749) 11.635 2.082 ( 9.589 -1.943 -4.740) 10.872 2.263 ( 2.091 -17.705 1.404) 17.884 2.540 ( 0.728 -0.828 2.984) 3.181 2.869 ( -2.444 -7.902 0.382) 8.280 2.908 ( -0.073 -1.835 5.009) 5.335 3.021 ( -6.568 -6.512 -8.165) 12.337 3.248 ( 5.334 -3.081 1.578) 6.359 3.633 ( -3.802 -10.244 4.463) 11.803 3.680 ( -3.899 -0.298 -0.360) 3.927 3.854 ( 4.447 0.374 -7.872) 9.048 4.034 ( -0.017 1.517 4.264) 4.526 4.430 ( -3.482 1.135 0.233) 3.670 4.550 ( -4.097 -0.997 -1.010) 4.336 4.840 ( -0.881 1.432 -2.114) 2.701 4.880 ( 1.169 2.627 1.636) 3.308 4.923 ( -1.828 2.766 -4.594) 5.665 4.999 ( -0.762 -1.849 -4.720) 5.126 5.197 ( 3.745 -1.070 5.629) 6.845 5.338 ( -2.657 4.661 0.262) 5.372 5.577 ( 2.170 -7.369 9.503) 12.220 5.758 ( -1.372 -1.226 -4.927) 5.260 5.845 ( -2.590 -3.722 0.992) 4.641 6.023 ( 0.341 1.069 -2.328) 2.584 6.171 ( 2.385 -6.528 5.449) 8.832 6.279 ( -3.164 10.752 -4.458) 12.062 6.696 ( -1.181 -2.243 0.297) 2.552 6.854 ( -1.317 -1.409 5.143) 5.492 7.029 ( -3.203 7.630 0.289) 8.280 7.326 ( -3.595 -6.691 -5.924) 9.633 7.591 ( -9.656 4.328 3.912) 11.282 7.755 ( -3.402 10.749 0.375) 11.281 7.869 ( 2.055 -4.437 0.616) 4.928 8.063 ( -1.389 -3.406 0.669) 3.739 8.245 ( 1.039 -2.721 -0.026) 2.913 8.299 ( -0.832 -2.897 2.862) 4.156 8.418 ( 0.695 -2.984 -3.040) 4.316 8.529 ( -2.836 -3.897 3.780) 6.125 8.906 ( 4.099 -0.103 -2.030) 4.575 9.326 ( -1.126 1.338 -3.298) 3.733 9.907 ( 3.122 4.804 -1.352) 5.886 10.017 ( -0.723 4.490 1.237) 4.713 10.270 ( 1.462 5.129 1.730) 5.607 10.459 ( 0.991 6.992 -1.676) 7.258 10.858 ( 5.448 -9.039 2.181) 10.777 11.514 ( 3.134 -10.034 -5.429) 11.831 12.344 ( -8.605 -4.598 4.490) 10.740 12.608 ( -6.652 -4.192 -2.600) 8.282 12.932 ( 0.294 3.783 -1.613) 4.123 13.691 ( 2.319 -0.117 5.130) 5.631 13.779 ( -0.449 -4.561 2.012) 5.005 14.270 ( 9.955 -7.512 -3.614) 12.984 14.482 ( 2.312 2.621 -0.558) 3.539 15.768 ( -0.210 6.268 18.724) 19.747 16.138 ( 5.166 3.000 -11.513) 12.970 16.463 ( 1.831 8.865 -2.696) 9.446 17.377 ( -4.776 5.492 -3.230) 7.963 ======================= Grid point 229 (108/172) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.445 -7.721 -11.869) 14.166 1.689 ( 10.884 -9.912 -8.513) 17.005 2.083 ( 7.097 -0.768 3.254) 7.845 2.154 ( 9.486 -15.976 7.661) 20.098 2.325 ( 3.549 -22.885 -6.221) 23.980 2.497 ( -1.598 -4.449 0.094) 4.728 2.733 ( -1.267 -22.232 -2.690) 22.430 2.921 ( -5.471 -1.955 3.614) 6.842 3.000 ( 0.791 -5.666 -4.296) 7.154 3.088 ( -4.412 -7.158 -7.125) 11.021 3.393 ( 5.324 -6.959 -1.468) 8.884 3.659 ( -5.806 -1.935 0.942) 6.192 3.824 ( -2.763 -9.925 2.014) 10.497 3.899 ( 8.833 0.209 -0.647) 8.860 4.029 ( -3.947 -5.556 -0.866) 6.870 4.415 ( -1.245 -2.153 3.675) 4.438 4.559 ( -3.998 -3.716 2.672) 6.077 4.785 ( -1.895 3.527 3.739) 5.478 4.823 ( -1.820 2.412 -0.401) 3.048 4.874 ( 1.237 0.062 1.571) 2.001 5.033 ( 1.730 -0.250 -5.543) 5.812 5.198 ( -3.274 2.690 2.207) 4.778 5.286 ( 3.073 -0.684 3.186) 4.479 5.745 ( 1.890 -7.141 3.338) 8.107 5.782 ( -1.588 -1.098 -5.837) 6.148 5.902 ( -2.909 -5.169 2.526) 6.447 5.988 ( 0.823 3.470 -4.869) 6.035 6.114 ( -0.076 2.246 -1.982) 2.996 6.319 ( 3.066 -5.235 5.935) 8.487 6.678 ( -2.921 2.967 1.322) 4.368 6.841 ( 2.003 5.607 -1.592) 6.163 6.905 ( -3.767 -0.984 6.502) 7.579 7.316 ( -3.431 7.478 -1.794) 8.421 7.466 ( -6.117 2.587 -2.354) 7.047 7.605 ( -3.340 -2.530 2.781) 5.029 8.010 ( 1.031 -7.231 0.925) 7.363 8.100 ( -0.385 -0.277 -0.468) 0.667 8.213 ( 1.976 4.220 -2.532) 5.303 8.361 ( -3.620 -4.674 3.019) 6.638 8.493 ( 0.506 -4.126 -1.666) 4.478 8.642 ( -0.345 -9.387 0.257) 9.397 8.947 ( 3.569 -1.116 -1.175) 3.919 9.278 ( -1.092 2.346 -2.496) 3.595 9.784 ( -0.194 9.137 1.327) 9.235 9.933 ( 1.846 5.935 1.948) 6.513 10.167 ( 0.188 6.776 1.296) 6.901 10.322 ( 0.751 8.265 -1.828) 8.498 11.121 ( 5.643 -13.871 2.256) 15.144 11.751 ( 0.740 -14.415 -5.645) 15.498 12.391 ( -9.210 -8.241 4.569) 13.176 12.649 ( -4.882 -5.565 -2.697) 7.879 12.889 ( -1.111 -0.041 -1.184) 1.624 13.608 ( 4.253 8.596 0.939) 9.636 13.977 ( 2.316 -9.863 4.385) 11.039 14.314 ( 2.544 7.540 4.180) 8.989 14.605 ( 9.943 -10.000 -7.955) 16.191 15.620 ( -1.465 11.029 18.432) 21.530 16.056 ( 2.314 9.462 -14.607) 17.557 16.271 ( 0.168 10.628 -2.987) 11.041 17.234 ( -3.200 5.587 0.144) 6.440 ======================= Grid point 230 (109/172) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 2.932 -4.363 -13.340) 14.338 1.870 ( 4.307 -2.796 -20.536) 21.169 2.166 ( 3.623 -3.564 14.657) 15.513 2.370 ( 4.136 -3.119 4.061) 6.582 2.595 ( 3.921 -6.798 0.972) 7.908 2.720 ( -4.472 -9.290 2.557) 10.623 2.925 ( -0.938 -9.115 -3.710) 9.886 2.994 ( -5.543 -6.068 -4.136) 9.201 3.158 ( -2.555 -7.708 -7.786) 11.250 3.220 ( 4.701 -13.120 -4.267) 14.576 3.509 ( 2.461 -1.711 4.360) 5.291 3.701 ( -0.023 -7.599 -6.607) 10.070 3.845 ( -0.316 2.168 -7.316) 7.637 4.050 ( 4.392 -9.866 1.968) 10.977 4.210 ( -6.085 -14.953 2.549) 16.344 4.479 ( -1.413 -4.632 4.852) 6.855 4.608 ( -2.492 -3.760 5.284) 6.947 4.728 ( -1.932 1.053 3.539) 4.167 4.777 ( -1.014 0.725 -0.014) 1.247 4.923 ( 2.403 -1.901 7.274) 7.893 5.029 ( -2.265 -0.458 -3.169) 3.922 5.170 ( 2.362 -0.943 3.549) 4.366 5.325 ( 2.203 0.132 5.115) 5.571 5.701 ( -2.240 5.476 -8.385) 10.262 5.823 ( -4.906 -0.791 3.344) 5.990 5.946 ( 3.505 -2.829 -4.170) 6.138 6.027 ( -2.912 -6.701 -9.645) 12.100 6.173 ( 5.438 -3.566 6.601) 9.266 6.395 ( 1.795 0.357 5.183) 5.497 6.562 ( -2.320 4.654 1.114) 5.318 6.789 ( 0.532 1.369 -2.578) 2.967 6.934 ( 0.726 -1.158 5.238) 5.413 7.109 ( 0.393 11.194 -0.669) 11.221 7.339 ( -5.146 3.747 0.413) 6.379 7.732 ( -2.978 -9.965 3.002) 10.825 8.015 ( -1.727 8.014 -2.057) 8.452 8.079 ( 0.371 -0.326 -1.261) 1.355 8.241 ( -1.068 -6.931 -1.798) 7.240 8.426 ( -0.702 -3.830 1.854) 4.313 8.560 ( 0.872 -2.592 -1.057) 2.932 8.830 ( 0.824 -10.355 -1.918) 10.564 9.011 ( 2.315 -3.278 -1.131) 4.169 9.221 ( -0.849 2.651 -1.420) 3.125 9.611 ( -0.205 9.410 3.234) 9.953 9.833 ( 0.835 6.143 2.831) 6.815 10.032 ( -0.812 8.034 2.433) 8.434 10.182 ( 0.312 6.936 -3.217) 7.652 11.439 ( 4.580 -15.135 1.831) 15.918 12.027 ( 0.470 -15.886 -4.875) 16.623 12.480 ( -9.401 -9.284 3.766) 13.738 12.703 ( -0.676 -3.124 -1.107) 3.383 12.921 ( -5.938 -7.148 -2.556) 9.638 13.483 ( 5.880 9.728 -0.842) 11.398 14.013 ( -3.111 6.764 -0.268) 7.450 14.289 ( 9.210 1.019 10.774) 14.211 14.842 ( 11.761 -4.826 -4.121) 13.364 15.399 ( 2.399 16.556 15.243) 22.632 15.801 ( -8.708 8.874 -17.936) 21.824 16.139 ( 0.525 4.533 -3.575) 5.797 17.132 ( -1.649 3.438 2.700) 4.672 ======================= Grid point 231 (110/172) ======================= q-point: ( 0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.051 -1.706 -13.535) 14.230 1.845 ( 0.489 3.756 -21.398) 21.731 2.268 ( -1.880 -3.170 17.717) 18.097 2.425 ( 2.197 -0.910 1.601) 2.866 2.671 ( -3.127 2.808 2.851) 5.078 2.749 ( 2.646 -1.842 1.172) 3.430 2.973 ( -4.742 -0.418 -4.419) 6.495 3.111 ( 0.235 -8.052 -0.852) 8.101 3.282 ( 2.461 -5.119 -13.365) 14.522 3.367 ( 2.091 -3.414 3.965) 5.635 3.640 ( 1.199 -7.549 -1.855) 7.865 3.782 ( -1.802 2.661 -8.848) 9.413 3.900 ( 7.854 -10.328 -4.560) 13.753 4.284 ( 1.453 -11.029 0.840) 11.156 4.387 ( -4.858 -9.118 1.505) 10.441 4.528 ( -4.273 -2.218 2.056) 5.235 4.650 ( -2.140 -2.271 7.217) 7.862 4.726 ( -0.557 -1.726 3.047) 3.546 4.785 ( 1.698 -0.579 1.534) 2.361 4.966 ( 0.965 -0.631 5.161) 5.288 5.019 ( -5.602 -2.313 -0.122) 6.062 5.247 ( 2.140 -1.934 5.078) 5.840 5.341 ( 4.887 1.694 8.383) 9.850 5.592 ( -2.593 1.863 -7.944) 8.562 5.758 ( -5.894 1.747 1.259) 6.275 6.010 ( 5.429 2.218 -1.716) 6.111 6.082 ( -2.378 -2.698 -10.055) 10.679 6.265 ( 2.526 -2.196 3.213) 4.639 6.354 ( -0.943 4.192 2.629) 5.037 6.554 ( -0.240 -3.672 1.027) 3.820 6.767 ( 2.676 1.638 -5.695) 6.502 6.901 ( 0.384 4.503 3.786) 5.896 7.007 ( 1.739 1.589 3.556) 4.266 7.288 ( -1.807 -1.859 1.010) 2.782 7.813 ( -0.291 6.382 1.923) 6.672 7.878 ( -2.676 -2.315 2.190) 4.162 8.114 ( -2.329 -5.468 -2.828) 6.582 8.330 ( -1.662 -2.830 0.806) 3.380 8.496 ( 2.201 -3.458 -1.733) 4.450 8.590 ( 0.510 -0.154 -1.672) 1.755 8.998 ( 0.298 -6.694 -2.776) 7.253 9.088 ( 1.367 -2.659 -1.506) 3.347 9.174 ( -0.706 0.936 0.446) 1.255 9.459 ( 0.082 7.491 3.795) 8.398 9.754 ( 0.077 2.888 3.984) 4.922 9.882 ( -1.033 6.990 3.699) 7.976 10.079 ( 0.038 3.893 -4.602) 6.027 11.704 ( 2.022 -9.075 -0.156) 9.299 12.310 ( 2.143 -13.558 0.517) 13.736 12.543 ( -5.322 -3.910 -0.012) 6.604 12.774 ( -0.294 -6.326 1.829) 6.591 13.028 ( -7.500 -10.545 -4.269) 13.626 13.361 ( 2.755 7.269 -4.069) 8.774 13.856 ( -2.489 4.733 1.019) 5.444 14.276 ( 10.495 12.891 11.015) 19.941 14.957 ( 14.730 8.926 -5.860) 18.193 15.021 ( -7.169 17.772 15.048) 24.365 15.737 ( -7.107 -10.809 -15.815) 20.431 16.081 ( 0.563 2.007 -4.822) 5.253 17.084 ( -0.508 1.358 4.162) 4.408 ======================= Grid point 232 (111/172) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 1.264 0.090 -12.478) 12.542 1.731 ( 3.049 7.210 -15.396) 17.272 2.234 ( -5.327 6.256 14.227) 16.430 2.459 ( 1.973 -0.462 0.598) 2.112 2.630 ( 1.726 -0.715 3.039) 3.568 2.719 ( -1.954 4.202 -0.886) 4.718 2.957 ( -1.518 0.390 0.122) 1.572 3.176 ( 0.267 -1.072 -4.544) 4.676 3.411 ( 1.638 -6.909 -10.125) 12.367 3.485 ( 3.295 -6.334 2.354) 7.518 3.689 ( -3.982 2.652 -7.723) 9.085 3.724 ( 4.247 0.945 -2.533) 5.035 4.070 ( 8.119 1.621 0.303) 8.285 4.411 ( 1.306 2.004 0.944) 2.571 4.504 ( -7.703 -6.105 -0.659) 9.851 4.506 ( -1.617 -4.936 -2.651) 5.831 4.674 ( -2.428 -1.864 8.256) 8.805 4.752 ( -0.046 0.282 2.431) 2.448 4.806 ( 3.597 0.864 1.574) 4.020 4.975 ( -4.445 -0.129 4.559) 6.368 5.002 ( -2.968 -0.406 2.896) 4.166 5.248 ( -0.584 2.030 1.983) 2.897 5.333 ( 4.040 4.094 0.118) 5.753 5.581 ( -2.066 -0.656 -0.527) 2.230 5.716 ( -1.741 -2.526 3.524) 4.672 5.945 ( 3.577 6.572 -4.280) 8.620 6.070 ( -0.531 1.589 -2.607) 3.099 6.270 ( -3.267 2.370 -1.907) 4.465 6.330 ( 3.176 -0.750 1.036) 3.424 6.570 ( -1.870 0.151 -2.699) 3.287 6.811 ( 2.948 -2.821 -4.043) 5.744 6.860 ( -0.867 1.150 3.762) 4.028 7.044 ( 2.314 -4.347 4.185) 6.462 7.349 ( 0.209 -4.262 1.364) 4.480 7.703 ( -1.209 1.726 -1.242) 2.446 7.930 ( 0.711 -2.957 5.355) 6.159 8.187 ( -5.054 -4.185 2.668) 7.084 8.320 ( 2.596 3.900 -0.719) 4.740 8.559 ( 0.331 -0.949 -3.737) 3.870 8.589 ( 1.235 -0.727 -2.229) 2.650 9.022 ( -0.159 3.018 -1.065) 3.204 9.085 ( 0.403 4.149 -1.633) 4.477 9.217 ( -0.177 -5.023 0.516) 5.052 9.364 ( -0.643 2.485 3.841) 4.620 9.735 ( -0.386 0.299 4.346) 4.373 9.811 ( -0.787 -0.254 4.050) 4.133 10.044 ( 0.709 -0.650 -5.596) 5.678 11.746 ( -0.154 5.657 -2.003) 6.003 12.502 ( 2.648 -2.318 6.789) 7.647 12.556 ( -1.072 -1.634 -0.693) 2.074 12.933 ( -0.380 -8.700 2.249) 8.994 13.137 ( -0.379 -7.322 -7.441) 10.446 13.300 ( -5.272 -3.957 -4.231) 7.833 13.831 ( 1.304 -0.163 2.988) 3.264 14.096 ( 2.816 9.680 5.007) 11.256 14.457 ( 1.080 30.860 -1.409) 30.911 15.075 ( -1.503 -5.225 14.213) 15.217 15.909 ( 0.401 -10.576 -15.009) 18.365 16.067 ( 0.412 -0.829 -6.899) 6.961 17.082 ( 0.270 -0.703 4.854) 4.912 ======================= Grid point 233 (112/172) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -2.973 5.944 -8.978) 11.171 1.658 ( 10.090 5.524 -7.219) 13.581 2.016 ( -4.184 12.953 7.525) 15.554 2.476 ( 0.979 0.124 -0.295) 1.030 2.576 ( -4.065 7.098 -2.962) 8.699 2.715 ( 5.066 -1.681 6.168) 8.156 2.934 ( -1.465 -0.084 -0.645) 1.603 3.192 ( 0.594 -0.203 -3.006) 3.071 3.422 ( -0.939 6.512 -15.789) 17.105 3.543 ( -0.479 8.865 -1.735) 9.046 3.601 ( 1.173 0.668 1.940) 2.364 3.747 ( 5.232 1.601 2.274) 5.926 4.043 ( 2.967 3.512 0.823) 4.671 4.257 ( 0.277 12.233 -2.232) 12.438 4.449 ( -2.360 2.426 -0.793) 3.477 4.572 ( -6.661 0.142 4.175) 7.862 4.685 ( -1.027 1.464 4.520) 4.861 4.772 ( 1.407 -1.400 -3.043) 3.633 4.823 ( 0.220 -2.059 0.369) 2.103 4.892 ( -4.316 4.519 2.480) 6.723 5.020 ( 0.158 -2.705 5.386) 6.029 5.183 ( -0.962 4.574 2.299) 5.209 5.289 ( 1.428 2.283 -4.739) 5.451 5.580 ( 0.582 -1.907 -1.826) 2.704 5.779 ( 0.842 -0.659 2.291) 2.528 5.901 ( 2.206 -0.973 1.908) 3.075 6.028 ( 2.806 3.048 -1.254) 4.329 6.209 ( -4.772 0.249 -2.552) 5.417 6.315 ( 2.183 4.745 -0.794) 5.283 6.576 ( -1.156 -2.934 -1.788) 3.625 6.829 ( -1.892 1.189 3.354) 4.030 6.871 ( 1.968 -1.838 -2.279) 3.528 7.186 ( -1.542 -9.085 1.126) 9.283 7.439 ( -0.440 -5.653 2.792) 6.320 7.749 ( 1.646 -5.958 0.065) 6.182 8.016 ( 0.946 -4.777 3.203) 5.829 8.154 ( -5.198 3.424 3.851) 7.319 8.234 ( 4.221 7.971 -2.026) 9.244 8.538 ( 1.204 3.378 2.127) 4.170 8.620 ( -0.807 -1.951 -4.788) 5.233 8.908 ( 1.419 9.984 0.033) 10.084 9.003 ( -0.282 2.776 -3.180) 4.231 9.306 ( 1.449 -3.986 3.503) 5.501 9.366 ( -2.512 -3.061 2.600) 4.737 9.731 ( -0.854 -0.509 2.332) 2.535 9.882 ( -0.147 -6.815 3.712) 7.762 10.096 ( 1.012 -4.273 -5.309) 6.890 11.536 ( -0.079 15.304 -1.688) 15.397 12.391 ( 3.878 15.313 2.112) 15.937 12.615 ( -1.686 -4.597 -0.751) 4.953 12.979 ( -4.516 1.036 6.760) 8.195 13.286 ( -5.476 -4.248 -4.278) 8.145 13.449 ( 11.175 -13.480 -4.045) 17.971 13.800 ( 0.772 4.219 4.808) 6.443 13.955 ( -3.691 17.785 1.747) 18.247 14.122 ( -2.322 -7.857 -5.926) 10.112 15.170 ( -0.424 -4.589 18.017) 18.597 16.041 ( 1.350 -4.483 -8.706) 9.885 16.108 ( 0.206 -4.149 -14.357) 14.946 17.126 ( 0.661 -3.118 4.725) 5.700 ======================= Grid point 234 (113/172) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 4.041 8.177 -0.543) 9.138 1.638 ( 9.108 7.312 5.250) 12.805 1.752 ( -1.596 11.802 -4.657) 12.787 2.336 ( -5.866 10.793 -4.959) 13.247 2.519 ( 1.595 0.424 -3.480) 3.852 2.705 ( 2.673 8.564 4.943) 10.243 2.958 ( 0.283 -2.690 -1.284) 2.994 3.071 ( -0.128 22.643 -3.645) 22.935 3.167 ( 1.585 11.933 1.748) 12.164 3.279 ( -0.035 15.060 -4.551) 15.733 3.585 ( -0.302 3.533 1.225) 3.751 3.706 ( 4.660 5.628 1.491) 7.457 3.992 ( -1.408 4.114 -3.560) 5.620 4.124 ( -4.902 0.211 -4.675) 6.777 4.366 ( 0.443 8.547 -0.516) 8.574 4.446 ( -4.547 4.834 2.667) 7.152 4.648 ( -0.087 0.866 0.667) 1.097 4.751 ( -1.990 2.901 0.693) 3.586 4.797 ( 1.421 0.549 2.856) 3.237 4.880 ( -1.753 -2.657 0.655) 3.249 5.079 ( -2.368 5.036 1.383) 5.735 5.109 ( 0.321 -4.914 2.662) 5.598 5.289 ( 1.324 -1.475 -4.705) 5.105 5.669 ( 4.140 -5.557 -2.686) 7.432 5.731 ( 1.063 5.516 0.423) 5.633 5.942 ( 0.371 1.285 1.473) 1.990 6.058 ( 3.587 -2.519 3.706) 5.740 6.173 ( -4.240 -0.889 -1.037) 4.454 6.233 ( 0.901 4.119 -1.811) 4.589 6.641 ( 0.303 -4.650 -2.155) 5.134 6.787 ( -0.762 2.130 3.725) 4.358 6.921 ( -0.332 -3.128 -0.479) 3.182 7.331 ( -5.300 -10.318 -1.673) 11.720 7.549 ( -1.303 -6.486 4.952) 8.264 7.894 ( 1.917 -3.737 0.678) 4.254 8.000 ( -0.068 6.502 -1.762) 6.736 8.087 ( -2.556 -0.444 4.411) 5.117 8.149 ( 3.004 2.593 -2.862) 4.893 8.467 ( 2.190 5.905 3.141) 7.038 8.622 ( -2.873 -0.016 -0.762) 2.972 8.729 ( 0.679 9.630 1.603) 9.786 8.964 ( 0.912 1.934 -5.582) 5.977 9.384 ( -3.295 -1.677 1.901) 4.157 9.430 ( 3.615 -6.215 5.117) 8.825 9.773 ( 0.173 -4.728 0.665) 4.778 10.030 ( 0.445 -8.052 3.057) 8.624 10.184 ( 0.337 -5.219 -4.493) 6.894 11.237 ( 1.032 16.820 -0.911) 16.876 12.091 ( 1.599 19.177 -1.668) 19.316 12.682 ( 0.504 -3.573 -0.903) 3.720 12.843 ( -3.869 9.382 6.672) 12.146 13.208 ( -6.298 7.518 -3.271) 10.338 13.617 ( -4.382 1.772 3.891) 6.123 13.811 ( 13.412 -8.489 -4.298) 16.444 13.938 ( 1.218 -8.113 5.226) 9.726 14.228 ( -2.915 -5.423 -5.808) 8.464 15.299 ( 0.811 -7.908 17.763) 19.460 16.102 ( 0.486 -1.820 -12.064) 12.210 16.160 ( -0.706 -4.515 -9.793) 10.807 17.217 ( 0.194 -5.951 3.614) 6.965 ======================= Grid point 238 (114/172) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -4.204 0.000 -14.862) 15.445 1.431 ( 9.533 -0.000 0.500) 9.546 1.546 ( 16.674 -0.000 -3.964) 17.139 1.875 ( 7.071 -0.000 1.793) 7.295 2.099 ( 3.086 -0.000 2.436) 3.932 2.197 ( 10.693 -0.000 -4.533) 11.614 2.559 ( 0.825 -0.000 3.742) 3.832 2.726 ( -7.893 0.000 -1.344) 8.007 2.867 ( -7.113 0.000 -9.575) 11.928 2.906 ( -1.120 0.000 1.759) 2.085 3.275 ( 5.128 -0.000 4.973) 7.144 3.522 ( -0.559 0.000 1.333) 1.445 3.623 ( -7.086 0.000 -4.656) 8.479 3.933 ( 10.258 -0.000 3.206) 10.747 4.068 ( 2.581 -0.000 6.296) 6.804 4.396 ( -6.199 0.000 1.763) 6.445 4.523 ( -1.477 0.000 -5.745) 5.932 4.858 ( -1.253 0.000 -5.147) 5.297 4.872 ( -0.747 0.000 -6.055) 6.101 4.925 ( -0.783 0.000 1.648) 1.825 4.956 ( -5.989 0.000 -1.822) 6.260 5.213 ( 0.005 -0.000 3.630) 3.630 5.424 ( 6.041 -0.000 0.031) 6.041 5.507 ( 0.587 -0.000 13.234) 13.247 5.751 ( -1.391 0.000 -2.088) 2.509 5.780 ( -1.103 0.000 -1.373) 1.761 6.019 ( -1.792 0.000 -2.701) 3.241 6.123 ( 1.810 -0.000 5.008) 5.325 6.360 ( -5.992 0.000 -6.438) 8.795 6.650 ( 0.359 -0.000 1.540) 1.581 6.832 ( -1.681 0.000 9.556) 9.703 7.082 ( -4.395 0.000 -3.051) 5.351 7.203 ( -3.869 0.000 -5.424) 6.663 7.556 ( -10.180 0.000 3.956) 10.922 7.816 ( 4.076 -0.000 -2.324) 4.692 7.916 ( -3.095 0.000 1.833) 3.597 7.996 ( -2.221 0.000 0.406) 2.257 8.158 ( 1.986 -0.000 1.454) 2.461 8.294 ( -1.497 0.000 5.093) 5.309 8.399 ( 1.454 -0.000 -2.689) 3.057 8.482 ( -1.861 0.000 -1.021) 2.123 8.949 ( 5.052 -0.000 0.939) 5.139 9.328 ( -0.476 0.000 -3.647) 3.678 9.958 ( -0.915 0.000 -2.352) 2.524 10.059 ( 1.005 -0.000 1.931) 2.176 10.339 ( 1.402 -0.000 1.846) 2.318 10.535 ( 0.088 -0.000 -3.054) 3.056 10.823 ( 6.590 -0.000 2.671) 7.111 11.447 ( 3.687 -0.000 -5.147) 6.331 12.234 ( -8.005 0.000 3.539) 8.752 12.510 ( -6.170 0.000 -2.071) 6.508 12.971 ( -0.677 0.000 -2.027) 2.137 13.663 ( 3.457 -0.000 8.154) 8.857 13.797 ( 2.801 -0.000 0.842) 2.925 14.256 ( 9.028 -0.000 -6.506) 11.128 14.515 ( -1.853 0.000 -0.902) 2.061 15.844 ( -0.691 0.000 18.910) 18.923 16.202 ( 5.021 -0.000 -8.355) 9.748 16.567 ( 2.558 -0.000 -2.795) 3.788 17.385 ( -4.476 0.000 -4.841) 6.593 ======================= Grid point 239 (115/172) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -4.514 -13.048 -15.873) 21.038 1.631 ( 11.226 -7.918 -2.616) 13.984 1.809 ( 10.586 -17.389 -0.458) 20.363 2.064 ( 8.671 -10.510 4.226) 14.265 2.222 ( 5.555 -3.969 -2.678) 7.334 2.292 ( 1.782 -9.325 -2.134) 9.731 2.543 ( -0.203 0.125 0.134) 0.273 2.752 ( -8.396 -8.507 0.627) 11.969 2.894 ( -4.719 -8.787 -9.620) 13.857 2.904 ( -2.375 -2.257 -0.879) 3.393 3.361 ( 6.303 -3.319 2.140) 7.438 3.562 ( -6.143 -3.691 -0.742) 7.204 3.611 ( -0.339 -6.574 -0.158) 6.584 3.966 ( -0.455 1.957 -0.799) 2.162 4.097 ( 11.225 4.637 9.266) 15.276 4.369 ( -4.035 -2.380 3.955) 6.131 4.485 ( -1.866 1.014 -3.376) 3.988 4.807 ( -3.021 1.480 -0.229) 3.372 4.864 ( -2.697 3.342 -1.721) 4.627 4.888 ( -0.847 0.418 1.499) 1.771 4.973 ( -0.900 -5.758 -7.507) 9.503 5.200 ( -3.240 0.358 3.437) 4.737 5.376 ( 4.784 6.341 6.214) 10.085 5.645 ( 3.878 -6.983 5.658) 9.788 5.737 ( 0.216 -1.192 -4.716) 4.869 5.811 ( -1.955 -2.708 0.726) 3.418 6.006 ( -1.377 -0.528 -2.436) 2.848 6.173 ( -3.058 1.493 -1.968) 3.931 6.256 ( 1.343 -1.150 1.416) 2.265 6.677 ( -0.839 -0.844 1.329) 1.784 6.838 ( -5.149 -2.026 11.161) 12.457 6.974 ( 0.081 6.606 -4.635) 8.070 7.240 ( -4.639 -6.711 -4.764) 9.447 7.441 ( -7.405 3.268 0.811) 8.134 7.734 ( 0.456 11.221 1.555) 11.338 7.911 ( 2.692 -4.557 -0.016) 5.293 8.057 ( 0.674 -4.661 -0.071) 4.710 8.249 ( -1.956 -4.261 0.842) 4.763 8.280 ( -0.929 0.290 4.419) 4.524 8.430 ( 1.425 -2.938 -3.766) 4.984 8.489 ( -2.456 -3.924 -1.423) 4.844 8.987 ( 4.870 0.679 2.224) 5.397 9.307 ( -0.164 1.561 -3.510) 3.845 9.895 ( -2.827 4.541 -0.695) 5.394 10.042 ( 1.941 3.608 1.987) 4.554 10.295 ( 0.940 5.670 1.570) 5.958 10.463 ( 0.081 6.457 -2.691) 6.996 10.968 ( 6.504 -8.532 2.346) 10.982 11.543 ( 1.092 -8.232 -4.684) 9.534 12.213 ( -6.691 -4.119 2.629) 8.285 12.498 ( -5.486 -4.275 -1.818) 7.188 12.928 ( -0.357 3.156 -1.115) 3.366 13.774 ( 6.137 0.331 3.612) 7.129 13.821 ( 3.885 -5.241 4.460) 7.903 14.401 ( 3.342 -2.818 -1.570) 4.645 14.468 ( -0.602 -3.944 -7.584) 8.570 15.788 ( -2.098 7.156 18.025) 19.507 16.198 ( 3.890 3.834 -7.286) 9.106 16.492 ( 2.513 10.133 -4.222) 11.261 17.300 ( -3.383 4.447 -2.730) 6.219 ======================= Grid point 240 (116/172) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -1.907 -11.341 -14.933) 18.848 1.823 ( 6.475 -4.752 -11.727) 14.214 2.161 ( 1.395 -4.393 7.954) 9.193 2.330 ( 7.667 -12.304 7.848) 16.485 2.386 ( 4.180 -14.750 -5.732) 16.368 2.488 ( 0.844 -7.135 0.269) 7.190 2.668 ( -4.893 -16.352 -5.916) 18.064 2.816 ( -6.567 -5.859 4.254) 9.775 3.006 ( 2.040 -10.254 -9.790) 14.323 3.023 ( -0.353 -8.050 -5.251) 9.617 3.496 ( 5.427 -6.260 -3.105) 8.848 3.580 ( -3.235 -2.052 3.506) 5.193 3.798 ( -0.483 -10.745 0.668) 10.776 3.916 ( -5.770 -3.711 -3.885) 7.883 4.096 ( 9.624 5.087 4.974) 11.968 4.406 ( -1.429 -2.812 5.445) 6.292 4.492 ( -3.700 -4.494 2.369) 6.285 4.735 ( -4.874 2.218 1.635) 5.599 4.801 ( 0.034 1.877 -1.711) 2.539 4.888 ( -1.534 -1.039 4.291) 4.674 5.048 ( 3.175 -1.709 -2.638) 4.467 5.182 ( 0.790 -0.110 2.169) 2.311 5.342 ( 1.769 1.348 6.417) 6.792 5.733 ( -3.263 1.198 -1.693) 3.866 5.780 ( 1.003 -2.445 0.917) 2.797 5.858 ( -0.867 -5.987 -4.636) 7.622 5.963 ( -1.536 2.309 -6.880) 7.418 6.147 ( 2.602 -3.363 2.993) 5.200 6.380 ( 2.658 -4.901 4.235) 7.001 6.629 ( -3.209 4.414 1.775) 5.739 6.807 ( -3.980 0.321 1.703) 4.341 6.932 ( 4.565 0.409 2.909) 5.429 7.246 ( -4.176 3.742 0.718) 5.653 7.379 ( -3.323 -0.109 -5.631) 6.540 7.579 ( -0.278 2.230 3.646) 4.283 8.037 ( 1.872 -5.891 0.338) 6.191 8.098 ( 0.292 1.374 -0.584) 1.521 8.209 ( -2.452 4.615 -1.591) 5.462 8.321 ( -0.922 -5.731 1.441) 5.981 8.512 ( 1.584 -3.645 -0.083) 3.975 8.612 ( -2.457 -11.622 -2.974) 12.246 9.015 ( 3.662 0.413 2.022) 4.204 9.265 ( 0.267 2.497 -3.288) 4.137 9.760 ( -2.324 7.482 1.494) 7.976 9.964 ( 0.781 6.472 2.222) 6.887 10.176 ( 0.507 7.742 1.472) 7.897 10.323 ( -0.147 8.207 -2.205) 8.500 11.224 ( 5.608 -13.042 1.758) 14.305 11.739 ( -1.746 -13.873 -3.392) 14.388 12.268 ( -4.528 -6.989 1.127) 8.404 12.561 ( -4.408 -7.442 -1.406) 8.763 12.871 ( -0.779 2.256 -0.801) 2.518 13.730 ( 9.423 9.110 -0.746) 13.127 14.019 ( 0.509 -6.066 5.470) 8.184 14.315 ( -2.641 0.767 2.712) 3.863 14.738 ( 6.972 -14.326 -6.923) 17.372 15.598 ( -5.263 11.102 13.212) 18.042 16.081 ( 3.601 14.812 -8.917) 17.660 16.269 ( 0.541 11.762 -3.859) 12.391 17.190 ( -2.039 4.329 0.865) 4.863 ======================= Grid point 241 (117/172) ======================= q-point: ( 0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.936 -6.943 -14.097) 15.742 1.873 ( 1.664 0.399 -20.004) 20.078 2.212 ( -1.550 -2.301 13.833) 14.109 2.441 ( 2.934 -0.368 3.605) 4.663 2.627 ( -4.144 -4.960 2.083) 6.791 2.682 ( 2.425 -9.028 2.934) 9.797 2.876 ( -2.740 -13.737 -5.911) 15.204 2.924 ( -0.636 -5.066 -3.383) 6.125 3.155 ( 3.129 -9.106 -4.877) 10.793 3.276 ( 3.336 -12.016 -9.620) 15.750 3.532 ( -1.203 -0.437 3.381) 3.615 3.722 ( 2.330 -11.769 -6.351) 13.575 3.853 ( 2.763 2.101 -1.690) 3.861 4.069 ( -3.531 -11.924 -0.791) 12.461 4.181 ( 3.221 -8.621 4.541) 10.262 4.448 ( -3.018 -2.975 3.805) 5.695 4.558 ( -4.018 -5.270 5.987) 8.931 4.682 ( -2.954 -0.904 2.470) 3.956 4.801 ( 2.450 -0.873 -2.103) 3.345 4.902 ( -3.048 -2.161 5.416) 6.580 5.063 ( 4.457 3.877 -1.342) 6.058 5.242 ( 3.700 -2.612 7.552) 8.806 5.362 ( 0.720 -2.227 5.509) 5.986 5.629 ( -4.072 5.086 -4.376) 7.848 5.744 ( -4.726 2.010 2.171) 5.576 5.964 ( -1.888 -4.762 -9.426) 10.728 6.007 ( 4.645 -6.133 -6.630) 10.156 6.254 ( 2.258 -3.075 5.142) 6.402 6.428 ( 1.005 2.387 4.704) 5.371 6.530 ( -1.360 2.133 0.410) 2.563 6.796 ( 0.870 -0.020 -3.294) 3.407 6.977 ( 2.790 0.436 5.312) 6.016 7.115 ( -0.119 7.395 1.314) 7.512 7.272 ( -2.447 4.214 -1.470) 5.090 7.697 ( -1.466 -11.307 2.813) 11.744 7.983 ( -1.654 9.162 -0.001) 9.310 8.074 ( -0.896 2.346 -2.063) 3.250 8.217 ( -0.356 -7.151 -0.832) 7.208 8.427 ( 0.350 -5.461 -1.130) 5.588 8.581 ( 1.153 -2.050 1.045) 2.574 8.814 ( -1.407 -11.995 -3.104) 12.469 9.046 ( 1.276 -1.435 0.856) 2.103 9.220 ( 1.173 2.638 -2.833) 4.045 9.603 ( -1.229 8.009 3.230) 8.723 9.843 ( -0.518 6.427 2.746) 7.008 10.031 ( 0.056 8.766 2.861) 9.221 10.175 ( -0.255 7.029 -3.106) 7.689 11.516 ( 4.143 -13.483 0.141) 14.106 11.997 ( -5.199 -17.309 0.746) 18.089 12.390 ( 0.612 -8.358 -1.991) 8.614 12.679 ( -1.739 -8.066 -0.174) 8.253 12.839 ( -2.653 -1.214 -1.550) 3.304 13.613 ( 8.834 12.401 -2.872) 15.495 13.940 ( -4.690 7.195 -0.439) 8.600 14.459 ( 6.479 -7.276 13.429) 16.591 14.936 ( -0.103 1.316 5.461) 5.618 15.449 ( -5.715 -5.529 -5.192) 9.497 15.658 ( 2.678 30.245 -8.294) 31.476 16.141 ( 0.551 4.410 -3.830) 5.867 17.118 ( -0.929 2.531 3.159) 4.153 ======================= Grid point 242 (118/172) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -2.295 -3.001 -12.708) 13.258 1.835 ( 3.597 2.908 -20.240) 20.762 2.241 ( -4.673 -1.308 15.993) 16.713 2.473 ( 2.426 -0.335 1.765) 3.019 2.619 ( -4.231 -0.885 4.370) 6.146 2.801 ( 4.436 1.729 -1.289) 4.933 2.928 ( 0.401 -0.940 -3.812) 3.947 3.086 ( -2.504 -9.873 -2.785) 10.559 3.307 ( 2.733 -1.450 -13.572) 13.921 3.397 ( 0.955 -7.484 4.354) 8.711 3.628 ( -1.667 -5.827 -5.779) 8.375 3.791 ( 2.943 3.897 -1.220) 5.033 4.001 ( 3.497 -14.363 -5.717) 15.850 4.259 ( -2.699 -10.545 0.867) 10.919 4.355 ( -1.131 -6.717 2.981) 7.435 4.470 ( -0.649 -2.003 1.683) 2.695 4.615 ( -2.952 -3.326 7.620) 8.823 4.728 ( 0.540 -3.598 4.391) 5.702 4.852 ( 3.263 -1.257 -0.948) 3.623 4.916 ( -2.538 -1.001 3.857) 4.725 5.017 ( 1.454 2.767 0.169) 3.130 5.272 ( 0.430 1.333 2.514) 2.878 5.461 ( 5.496 1.115 9.520) 11.049 5.511 ( -5.233 -0.982 -2.863) 6.046 5.682 ( -2.899 0.467 1.686) 3.386 6.007 ( -3.289 -2.655 -10.834) 11.629 6.104 ( 5.770 1.734 -1.070) 6.119 6.289 ( -0.132 -1.414 -3.776) 4.034 6.351 ( -0.128 4.885 5.233) 7.160 6.539 ( -0.764 -1.620 -0.164) 1.799 6.790 ( -0.426 0.644 -3.952) 4.027 6.930 ( 2.851 4.629 3.041) 6.229 7.043 ( 1.021 1.670 3.661) 4.151 7.264 ( -1.290 -3.998 0.795) 4.276 7.792 ( -1.242 8.655 -1.891) 8.946 7.881 ( 1.396 -6.546 6.712) 9.479 8.052 ( -4.017 -3.464 -0.573) 5.335 8.332 ( 1.873 -4.220 -1.697) 4.919 8.518 ( 0.748 -3.932 -2.000) 4.474 8.594 ( -0.041 0.924 -0.739) 1.184 8.989 ( -0.458 -7.378 -3.165) 8.041 9.087 ( -0.959 -2.617 0.062) 2.788 9.185 ( 1.605 2.029 -1.097) 2.810 9.460 ( -0.818 7.163 3.887) 8.191 9.757 ( -0.751 2.408 3.755) 4.523 9.880 ( -0.148 7.396 3.887) 8.356 10.071 ( 0.180 3.665 -4.398) 5.728 11.741 ( 2.755 -6.700 -2.343) 7.613 12.243 ( -10.222 -15.847 7.459) 20.279 12.556 ( 6.198 -4.799 -4.319) 8.950 12.810 ( 4.359 -7.018 0.761) 8.296 12.917 ( -3.336 -10.782 -3.015) 11.682 13.420 ( 4.049 13.612 -6.429) 15.589 13.823 ( -0.914 1.572 1.339) 2.258 14.463 ( 6.969 18.977 13.121) 24.101 14.836 ( -13.504 1.756 14.674) 20.019 15.102 ( -2.407 21.412 -8.943) 23.329 15.675 ( 6.223 -13.430 -13.439) 19.992 16.081 ( 0.555 2.265 -4.630) 5.184 17.087 ( -0.394 0.736 4.146) 4.230 ======================= Grid point 243 (119/172) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -2.825 0.561 -10.627) 11.010 1.803 ( 6.977 3.213 -17.050) 18.700 2.184 ( -3.609 6.107 14.191) 15.866 2.481 ( 0.723 0.649 -0.502) 1.093 2.623 ( -3.369 -0.193 2.460) 4.176 2.767 ( 7.056 3.141 0.314) 7.730 2.935 ( -1.021 1.075 2.440) 2.855 3.166 ( -0.270 -2.508 -6.003) 6.511 3.378 ( -2.706 -7.050 -13.276) 15.274 3.536 ( 3.101 -3.745 3.187) 5.814 3.604 ( -4.559 1.915 -5.519) 7.410 3.803 ( 4.042 -0.266 -1.848) 4.452 4.169 ( 2.235 0.694 -2.769) 3.626 4.376 ( -3.650 -0.218 1.159) 3.836 4.409 ( -3.175 -6.416 2.523) 7.590 4.521 ( 3.374 -0.037 -2.541) 4.224 4.644 ( -2.563 -2.245 8.794) 9.431 4.768 ( 0.540 0.672 3.409) 3.516 4.865 ( 2.614 2.999 -0.632) 4.028 4.907 ( -1.764 0.058 2.578) 3.124 5.009 ( 1.142 -0.557 5.054) 5.212 5.236 ( -0.977 2.420 0.934) 2.772 5.372 ( 0.254 5.486 -2.427) 6.004 5.556 ( -0.254 -1.487 0.488) 1.585 5.735 ( 2.291 -4.951 8.078) 9.747 5.950 ( -1.205 3.745 -7.601) 8.559 6.101 ( 4.313 2.173 0.502) 4.855 6.210 ( -3.258 4.221 -3.235) 6.237 6.376 ( 1.426 -1.427 -1.128) 2.311 6.530 ( -1.236 0.547 -1.809) 2.258 6.781 ( -3.490 -2.112 -0.246) 4.087 6.912 ( 3.873 1.942 0.693) 4.387 7.060 ( -1.748 -2.844 2.811) 4.365 7.334 ( -2.209 -4.788 1.784) 5.566 7.702 ( 1.499 0.126 -1.578) 2.180 7.957 ( 0.275 -1.990 5.549) 5.901 8.118 ( -2.657 -4.303 4.152) 6.543 8.381 ( 4.386 2.599 -2.747) 5.791 8.542 ( -1.548 -0.423 -2.530) 2.996 8.596 ( 0.127 -1.305 -2.517) 2.838 9.026 ( 0.890 1.858 -1.766) 2.714 9.087 ( 0.252 4.586 -1.609) 4.867 9.216 ( -0.118 -5.316 0.692) 5.362 9.353 ( -1.485 3.101 4.335) 5.533 9.738 ( -0.369 0.839 4.225) 4.323 9.804 ( -0.884 -0.422 3.985) 4.104 10.047 ( 1.092 -1.106 -5.424) 5.642 11.756 ( 1.894 7.040 -2.666) 7.763 12.412 ( -8.729 -10.628 7.205) 15.526 12.617 ( 2.754 1.331 -0.103) 3.060 12.953 ( 1.676 0.456 -0.616) 1.843 13.133 ( 1.403 -9.912 -3.831) 10.719 13.327 ( 10.075 -6.718 -5.853) 13.450 13.862 ( 1.724 -3.505 1.812) 4.305 14.115 ( -2.673 16.740 6.319) 18.092 14.362 ( -10.810 27.273 -0.826) 29.349 15.077 ( -1.974 -6.422 14.002) 15.530 15.923 ( 4.955 -9.305 -15.217) 18.511 16.058 ( 0.206 -0.150 -6.045) 6.050 17.092 ( -0.378 -1.199 4.251) 4.433 ======================= Grid point 244 (120/172) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.648 2.411 -6.965) 7.399 1.799 ( 8.412 2.722 -15.038) 17.444 1.996 ( 0.242 13.565 10.176) 16.960 2.460 ( -2.555 4.521 -1.584) 5.429 2.531 ( -0.363 3.606 2.416) 4.355 2.837 ( 6.548 -1.449 2.524) 7.165 2.901 ( -1.946 0.958 3.099) 3.783 3.204 ( 1.248 -1.099 -2.754) 3.217 3.350 ( -2.301 6.837 -16.735) 18.224 3.525 ( -3.187 6.002 -2.089) 7.110 3.576 ( -2.272 -0.572 0.075) 2.345 3.821 ( 2.412 1.418 1.148) 3.024 4.083 ( 1.071 7.308 -2.517) 7.803 4.208 ( -3.681 12.147 -4.360) 13.421 4.456 ( 1.675 0.934 5.481) 5.806 4.502 ( -2.495 2.873 4.593) 5.964 4.663 ( -1.976 0.839 2.510) 3.302 4.783 ( 0.417 -2.514 -2.498) 3.568 4.811 ( -0.605 2.006 3.330) 3.934 4.860 ( -0.857 4.886 4.456) 6.668 5.065 ( 3.019 -2.585 5.934) 7.142 5.163 ( -1.541 4.818 1.774) 5.361 5.294 ( 0.026 2.264 -5.862) 6.285 5.610 ( 3.070 -3.826 -3.818) 6.216 5.806 ( 2.082 0.919 1.541) 2.748 5.940 ( 2.176 -2.446 2.843) 4.336 6.090 ( 0.594 2.479 2.045) 3.268 6.136 ( 0.028 0.514 -4.579) 4.608 6.340 ( 0.902 5.606 -2.074) 6.045 6.542 ( -2.035 -3.977 -0.608) 4.509 6.794 ( -1.947 -1.219 0.789) 2.429 6.910 ( 2.099 1.055 0.467) 2.395 7.109 ( -6.836 -6.997 0.655) 9.804 7.419 ( -2.431 -6.450 3.003) 7.518 7.792 ( 2.615 -6.700 -1.442) 7.336 7.996 ( -3.745 -2.609 5.862) 7.429 8.123 ( 0.743 3.177 1.521) 3.600 8.308 ( 4.718 7.760 -3.181) 9.623 8.543 ( -2.068 -0.253 0.759) 2.218 8.594 ( -0.299 0.917 -2.522) 2.700 8.930 ( 1.023 10.525 -0.442) 10.583 9.005 ( 1.591 2.058 -3.802) 4.607 9.309 ( -2.888 -3.590 1.596) 4.876 9.357 ( 1.591 -4.471 4.935) 6.846 9.725 ( -0.427 -0.691 2.333) 2.471 9.890 ( -0.039 -7.491 4.208) 8.592 10.100 ( 0.749 -3.810 -5.441) 6.685 11.554 ( 2.402 15.505 -1.137) 15.731 12.387 ( -4.076 10.435 0.283) 11.206 12.621 ( 2.255 -2.287 -0.139) 3.215 12.913 ( -4.507 0.955 4.990) 6.792 13.210 ( -1.178 0.518 -3.341) 3.580 13.716 ( 13.376 -12.460 -2.704) 18.479 13.792 ( -0.895 12.923 1.262) 13.015 13.880 ( -2.725 5.184 2.823) 6.501 14.069 ( -1.124 -8.579 -3.083) 9.185 15.188 ( -2.161 -6.078 18.624) 19.709 16.051 ( 2.211 -3.544 -13.145) 13.793 16.075 ( -0.871 -2.592 -9.339) 9.731 17.133 ( -0.966 -3.349 3.594) 5.007 ======================= Grid point 249 (121/172) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -8.595 0.000 -19.748) 21.538 1.602 ( 9.470 -0.000 1.917) 9.662 1.795 ( 10.878 -0.000 -4.262) 11.683 2.028 ( 9.786 -0.000 2.986) 10.232 2.131 ( -0.044 0.000 1.572) 1.572 2.321 ( 4.566 -0.000 -7.334) 8.639 2.553 ( -11.431 0.000 0.817) 11.460 2.591 ( 2.827 -0.000 1.026) 3.007 2.744 ( -4.360 0.000 -9.411) 10.371 2.863 ( -1.689 0.000 -0.167) 1.697 3.350 ( 2.135 -0.000 6.262) 6.616 3.492 ( -6.796 0.000 -3.925) 7.848 3.571 ( 5.702 -0.000 -2.297) 6.148 3.974 ( -2.948 0.000 -1.624) 3.365 4.258 ( 8.567 -0.000 14.977) 17.254 4.278 ( -7.265 0.000 1.839) 7.494 4.555 ( 8.842 -0.000 -2.548) 9.202 4.796 ( -4.585 0.000 -2.148) 5.063 4.848 ( -0.601 0.000 -5.603) 5.635 4.866 ( -3.573 0.000 -2.172) 4.181 4.896 ( -2.285 0.000 0.747) 2.404 5.180 ( -2.563 0.000 3.135) 4.049 5.550 ( 0.889 -0.000 13.246) 13.276 5.577 ( 9.479 -0.000 -0.472) 9.491 5.730 ( 0.352 -0.000 -4.867) 4.880 5.778 ( 0.744 -0.000 0.148) 0.759 5.976 ( -2.907 0.000 -1.729) 3.383 6.141 ( -0.524 0.000 2.706) 2.756 6.246 ( -5.224 0.000 -5.884) 7.868 6.668 ( 1.134 -0.000 2.416) 2.669 6.778 ( -7.903 0.000 12.654) 14.919 7.046 ( 2.928 -0.000 -7.108) 7.688 7.125 ( -3.512 0.000 -5.080) 6.175 7.419 ( -6.003 0.000 1.197) 6.121 7.886 ( 4.209 -0.000 -1.592) 4.500 7.919 ( 2.059 -0.000 4.307) 4.774 7.966 ( -1.183 0.000 -1.277) 1.740 8.170 ( -0.864 0.000 2.175) 2.340 8.273 ( -2.181 0.000 4.888) 5.352 8.418 ( 1.299 -0.000 -3.265) 3.514 8.441 ( -2.213 0.000 -3.589) 4.216 9.041 ( 4.736 -0.000 3.921) 6.148 9.318 ( 0.215 -0.000 -3.946) 3.952 9.907 ( -3.396 0.000 -0.130) 3.399 10.091 ( 1.060 -0.000 1.897) 2.173 10.359 ( 0.550 -0.000 1.671) 1.759 10.521 ( -0.803 0.000 -3.821) 3.904 10.948 ( 7.081 -0.000 2.063) 7.376 11.465 ( -1.070 0.000 -3.389) 3.554 12.134 ( -3.370 0.000 0.964) 3.505 12.413 ( -4.539 0.000 -0.906) 4.629 12.955 ( -0.707 0.000 -1.290) 1.471 13.737 ( 2.472 -0.000 9.339) 9.661 13.912 ( 9.947 -0.000 -0.708) 9.972 14.361 ( 4.833 -0.000 -7.310) 8.763 14.421 ( -7.846 0.000 -4.569) 9.079 15.861 ( -2.329 0.000 18.535) 18.681 16.253 ( 2.565 -0.000 -4.876) 5.509 16.609 ( 3.233 -0.000 -4.043) 5.177 17.312 ( -3.057 0.000 -3.988) 5.024 ======================= Grid point 250 (122/172) ======================= q-point: ( 0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -7.047 -17.242 -17.782) 25.752 1.783 ( 6.056 -5.767 -2.941) 8.864 1.940 ( 3.669 -13.222 -0.424) 13.728 2.221 ( 3.478 -8.155 5.271) 10.314 2.249 ( 3.365 -14.039 -1.299) 14.495 2.315 ( 1.328 0.246 -5.733) 5.890 2.494 ( -6.932 -2.495 -0.818) 7.412 2.658 ( -0.791 -5.083 1.538) 5.369 2.814 ( -1.871 -10.257 -9.753) 14.277 2.897 ( 2.854 -4.090 -0.475) 5.010 3.424 ( -2.616 -1.969 -3.311) 4.657 3.478 ( -0.782 -8.507 5.700) 10.270 3.643 ( 2.445 -3.185 -1.144) 4.175 3.908 ( -2.601 3.180 -3.698) 5.528 4.231 ( -1.142 0.442 4.553) 4.715 4.334 ( -1.940 -2.818 9.627) 10.217 4.527 ( 7.427 8.117 -1.227) 11.070 4.736 ( -3.966 2.190 -0.311) 4.541 4.823 ( -1.321 1.200 -1.722) 2.480 4.875 ( -1.200 -0.056 2.032) 2.361 4.974 ( 3.650 -8.400 -2.530) 9.501 5.168 ( -1.126 -0.566 1.711) 2.125 5.463 ( 3.135 7.334 8.384) 11.572 5.714 ( 1.703 -2.628 1.335) 3.404 5.752 ( 2.586 -1.947 -3.420) 4.709 5.780 ( -0.737 -0.569 -2.615) 2.775 5.967 ( -2.214 -0.504 -0.722) 2.383 6.115 ( -2.614 0.077 -2.105) 3.357 6.284 ( 1.619 -7.355 0.612) 7.556 6.665 ( -2.308 2.079 3.505) 4.683 6.740 ( -5.330 -2.103 7.819) 9.693 7.033 ( 6.349 3.607 -4.152) 8.400 7.161 ( -2.943 -6.003 -3.946) 7.764 7.347 ( -3.624 2.559 -0.781) 4.504 7.764 ( 1.812 11.317 3.179) 11.894 7.957 ( 2.639 -4.223 -0.411) 4.997 8.083 ( 2.277 -4.877 -0.657) 5.422 8.192 ( -4.089 -1.523 0.602) 4.404 8.282 ( -0.725 -1.415 5.454) 5.681 8.419 ( -2.480 -3.941 -5.432) 7.155 8.462 ( 0.619 -2.899 -1.657) 3.396 9.071 ( 3.667 1.311 4.150) 5.691 9.302 ( 0.476 1.508 -4.301) 4.583 9.842 ( -2.969 4.008 1.351) 5.168 10.063 ( -0.250 3.626 1.827) 4.068 10.311 ( 0.666 5.576 1.507) 5.815 10.449 ( -0.928 5.893 -3.179) 6.760 11.084 ( 6.236 -7.744 1.181) 10.013 11.509 ( -4.646 -7.657 -1.654) 9.108 12.155 ( 0.364 -3.639 -0.870) 3.759 12.416 ( -3.565 -4.166 -0.204) 5.487 12.918 ( -0.410 2.846 -0.838) 2.995 13.860 ( 1.791 -8.950 8.774) 12.660 13.961 ( 11.463 4.475 -0.538) 12.317 14.307 ( -8.983 3.154 -4.658) 10.599 14.506 ( 2.937 -12.429 -7.782) 14.955 15.772 ( -4.443 8.958 16.714) 19.477 16.235 ( 1.853 3.442 -3.865) 5.497 16.531 ( 3.124 11.213 -5.388) 12.826 17.246 ( -2.442 3.557 -1.669) 4.626 ======================= Grid point 251 (123/172) ======================= q-point: (-0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -3.878 -14.438 -13.955) 20.451 1.836 ( -2.265 -1.922 -12.623) 12.968 2.182 ( -0.477 -3.514 8.709) 9.404 2.415 ( 1.133 -10.592 -5.644) 12.055 2.431 ( 1.604 -10.002 7.558) 12.639 2.525 ( -4.176 -8.967 -0.603) 9.910 2.555 ( -0.187 -14.972 -1.451) 15.043 2.774 ( 2.022 -9.005 1.737) 9.391 2.998 ( 0.303 -10.310 -11.586) 15.512 3.069 ( 4.733 -10.948 -5.650) 13.198 3.493 ( -3.783 -11.021 -3.281) 12.106 3.566 ( -2.153 2.273 5.275) 6.134 3.799 ( 0.508 -13.746 0.615) 13.769 3.870 ( 2.178 -0.479 -3.975) 4.558 4.211 ( 2.315 3.266 3.501) 5.318 4.368 ( -4.706 -3.501 7.956) 9.885 4.482 ( 2.890 0.479 0.292) 2.944 4.668 ( -1.765 1.708 0.867) 2.604 4.796 ( -0.606 0.509 -1.428) 1.632 4.879 ( 0.770 -0.685 3.658) 3.800 5.130 ( 5.206 -2.469 -2.411) 6.246 5.205 ( 0.437 -4.360 5.339) 6.907 5.377 ( 0.881 4.591 6.309) 7.853 5.657 ( -5.090 3.611 -1.693) 6.467 5.762 ( -2.036 1.349 0.208) 2.451 5.877 ( 2.947 -4.802 -4.826) 7.419 5.933 ( 0.495 -1.446 -7.539) 7.692 6.186 ( 0.609 -6.069 4.569) 7.621 6.435 ( 3.133 -4.523 1.881) 5.815 6.581 ( -2.288 3.928 1.983) 4.960 6.762 ( -1.997 -2.406 1.727) 3.572 7.034 ( 6.356 2.112 0.590) 6.724 7.195 ( -1.603 2.387 2.253) 3.653 7.321 ( -1.839 -2.241 -5.681) 6.378 7.601 ( 1.250 5.501 3.766) 6.782 8.067 ( 1.009 -1.559 0.761) 2.007 8.103 ( -0.269 -1.954 -1.640) 2.565 8.152 ( -1.793 5.098 -1.114) 5.518 8.320 ( -0.128 -5.301 0.890) 5.377 8.518 ( -2.441 -5.990 0.653) 6.501 8.577 ( 0.857 -10.571 -3.166) 11.069 9.067 ( 1.449 1.777 3.013) 3.786 9.269 ( 1.025 2.067 -4.643) 5.185 9.725 ( -2.052 6.456 2.830) 7.342 9.963 ( -1.418 6.556 2.131) 7.038 10.192 ( 0.889 8.001 1.828) 8.256 10.308 ( -0.989 7.913 -2.382) 8.322 11.318 ( 5.046 -12.077 -0.425) 13.096 11.651 ( -8.146 -13.674 1.194) 15.961 12.272 ( 5.324 -7.007 -3.080) 9.324 12.500 ( -2.382 -7.775 0.509) 8.147 12.861 ( -0.144 2.853 -0.733) 2.949 13.902 ( 8.922 9.631 -3.769) 13.659 14.009 ( -1.381 2.744 3.258) 4.478 14.263 ( -3.906 -11.312 5.165) 13.035 14.800 ( 1.445 -16.489 -5.675) 17.498 15.503 ( -8.253 15.473 10.388) 20.382 16.133 ( 3.654 13.080 -3.986) 14.154 16.275 ( 1.434 14.160 -5.719) 15.338 17.163 ( -1.531 3.235 1.637) 3.936 ======================= Grid point 252 (124/172) ======================= q-point: (-0.30 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -3.345 -7.714 -11.232) 14.030 1.832 ( -2.040 -2.125 -18.108) 18.346 2.204 ( -1.618 -0.446 13.033) 13.141 2.474 ( -0.322 -1.945 3.408) 3.937 2.541 ( -5.308 -2.924 1.683) 6.290 2.725 ( 1.334 -11.122 -0.185) 11.203 2.835 ( -0.400 -12.991 -2.903) 13.318 2.970 ( 6.031 -4.066 -2.551) 7.708 3.189 ( 1.411 -12.871 -5.731) 14.160 3.296 ( 0.959 -6.737 -11.692) 13.528 3.498 ( -2.195 -3.282 2.289) 4.564 3.696 ( -3.621 -10.983 -4.430) 12.384 3.921 ( 4.225 -0.598 1.404) 4.492 4.020 ( -2.037 -11.247 -2.361) 11.671 4.232 ( 1.109 -5.511 1.944) 5.948 4.419 ( -0.358 -4.116 6.939) 8.076 4.542 ( 1.538 -3.399 4.579) 5.906 4.673 ( 1.153 -2.621 3.137) 4.248 4.803 ( -0.966 -2.207 -0.198) 2.417 4.920 ( 2.834 -1.297 3.282) 4.526 5.115 ( 1.906 5.268 -3.631) 6.676 5.317 ( 3.255 0.579 7.342) 8.052 5.351 ( -3.862 -5.878 3.041) 7.662 5.557 ( -4.119 2.159 0.599) 4.689 5.695 ( -0.099 3.203 1.478) 3.529 5.917 ( -1.364 -2.218 -8.093) 8.501 6.067 ( 3.825 -7.927 -7.346) 11.464 6.276 ( -0.682 -1.758 3.569) 4.037 6.455 ( 1.009 4.243 4.244) 6.085 6.529 ( 1.189 0.896 0.488) 1.566 6.784 ( -1.673 -0.851 -3.788) 4.227 7.042 ( 3.037 3.240 3.126) 5.431 7.117 ( 0.145 4.572 2.926) 5.430 7.250 ( 0.531 4.547 -1.471) 4.808 7.701 ( 1.290 -11.730 1.962) 11.962 7.956 ( -1.724 9.433 1.363) 9.686 8.040 ( -2.171 3.031 -0.618) 3.779 8.239 ( 2.797 -6.883 -2.122) 7.727 8.425 ( -0.234 -5.839 -2.058) 6.195 8.588 ( -0.984 -2.534 1.826) 3.275 8.789 ( -0.425 -11.821 -2.056) 12.006 9.053 ( -0.701 -0.127 0.984) 1.215 9.238 ( 1.458 2.037 -4.021) 4.738 9.589 ( -1.189 7.199 3.820) 8.236 9.830 ( -1.516 6.077 2.929) 6.914 10.045 ( 0.661 9.132 3.176) 9.691 10.160 ( -0.600 6.638 -3.194) 7.391 11.584 ( 4.080 -12.319 -2.892) 13.295 11.853 ( -10.743 -16.730 5.235) 20.560 12.489 ( 9.988 -8.948 -4.734) 14.221 12.656 ( -0.747 -10.612 1.320) 10.720 12.826 ( 1.492 0.264 -1.328) 2.015 13.713 ( 1.309 14.332 -7.965) 16.449 13.901 ( 2.564 6.554 2.589) 7.499 14.534 ( -2.154 -15.614 12.250) 19.962 14.929 ( -1.290 12.802 14.341) 19.267 15.186 ( -17.926 2.160 -12.622) 22.030 15.816 ( 12.304 18.717 -6.812) 23.412 16.141 ( 0.508 4.299 -4.252) 6.068 17.110 ( -0.947 1.875 3.359) 3.962 ======================= Grid point 253 (125/172) ======================= q-point: (-0.20 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -3.103 -3.294 -9.961) 10.941 1.842 ( 1.599 -1.358 -21.016) 21.120 2.210 ( -2.518 -0.130 17.832) 18.010 2.507 ( 0.899 0.686 -0.991) 1.504 2.545 ( -4.553 -4.121 5.618) 8.323 2.905 ( 6.531 -3.304 1.335) 7.439 2.952 ( 3.024 3.180 -8.344) 9.427 3.025 ( -3.049 -7.100 -1.120) 7.808 3.272 ( -3.349 0.210 -8.851) 9.466 3.437 ( 1.964 -10.350 -0.108) 10.535 3.605 ( 1.562 -0.581 -4.402) 4.707 3.781 ( -4.617 -5.688 -3.471) 8.107 4.020 ( 2.020 -8.331 -5.601) 10.240 4.218 ( -3.716 -12.112 0.014) 12.669 4.342 ( 0.746 -3.640 2.950) 4.745 4.524 ( 4.525 -3.624 4.121) 7.112 4.612 ( 0.834 -1.955 7.156) 7.465 4.760 ( 1.412 -2.981 4.101) 5.263 4.847 ( -0.608 -3.180 2.844) 4.309 4.968 ( 4.577 0.501 0.057) 4.605 5.027 ( -0.395 3.265 0.664) 3.355 5.281 ( 0.275 3.182 -1.011) 3.350 5.406 ( -6.343 -1.118 2.472) 6.899 5.531 ( 0.388 -0.935 3.707) 3.843 5.702 ( 4.698 -2.005 5.933) 7.829 5.926 ( -3.215 -1.733 -10.631) 11.240 6.200 ( 5.234 0.587 -0.505) 5.291 6.246 ( -3.401 0.278 -6.531) 7.369 6.357 ( -0.833 4.968 5.606) 7.537 6.546 ( 1.327 -0.486 0.113) 1.418 6.733 ( -3.986 1.575 -3.509) 5.539 6.996 ( 3.105 3.404 0.800) 4.677 7.055 ( -0.224 2.400 2.821) 3.711 7.250 ( -0.482 -2.248 2.084) 3.104 7.779 ( -0.087 7.267 -0.678) 7.299 7.940 ( 3.684 -8.164 4.989) 10.253 7.989 ( -3.016 -1.593 0.830) 3.511 8.372 ( 2.800 -5.202 -3.496) 6.864 8.514 ( -0.592 -3.921 -1.367) 4.195 8.582 ( -0.990 1.732 -0.209) 2.005 8.973 ( -0.601 -8.529 -2.189) 8.826 9.067 ( -1.177 -2.159 -0.292) 2.476 9.210 ( 1.434 1.998 -1.421) 2.840 9.450 ( -1.363 7.332 4.119) 8.520 9.748 ( -1.037 1.852 3.864) 4.408 9.892 ( 0.333 8.088 3.824) 8.953 10.066 ( 0.401 2.893 -4.387) 5.270 11.784 ( 2.411 -5.603 -4.355) 7.495 12.079 ( -9.079 -16.696 7.972) 20.609 12.633 ( 2.630 -0.135 -2.272) 3.479 12.866 ( 1.817 -11.112 2.638) 11.564 12.988 ( 11.825 -11.948 -5.710) 17.754 13.450 ( 1.662 12.302 -7.800) 14.661 13.847 ( 3.006 1.862 2.400) 4.274 14.495 ( -9.132 23.641 11.740) 27.930 14.630 ( -12.770 11.461 2.297) 17.312 14.969 ( -6.163 -1.406 6.184) 8.843 15.833 ( 12.723 -4.328 -13.781) 19.248 16.079 ( 0.356 2.504 -4.808) 5.433 17.085 ( -0.905 0.436 3.908) 4.035 ======================= Grid point 254 (126/172) ======================= q-point: (-0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -0.770 -1.162 -9.572) 9.673 1.857 ( 3.885 -0.198 -21.419) 21.769 2.187 ( -0.093 4.374 18.437) 18.949 2.479 ( -1.218 1.274 -1.667) 2.426 2.589 ( -0.274 -0.547 4.474) 4.515 2.848 ( 0.535 4.726 -3.470) 5.888 2.980 ( 6.316 2.032 6.632) 9.381 3.141 ( -1.050 -6.611 -7.715) 10.214 3.274 ( -5.708 -4.905 -5.723) 9.455 3.504 ( -4.770 1.757 -6.271) 8.072 3.620 ( 6.078 -0.559 -1.629) 6.317 3.836 ( 0.067 -1.599 -3.147) 3.530 4.108 ( -6.284 -2.107 -10.273) 12.225 4.348 ( -1.392 0.658 1.945) 2.481 4.410 ( 3.075 -5.169 4.742) 7.659 4.571 ( 2.344 2.999 -1.341) 4.036 4.640 ( -0.058 -0.735 8.207) 8.240 4.776 ( -0.854 0.582 3.433) 3.585 4.893 ( 1.267 2.263 7.131) 7.588 4.927 ( 1.459 3.640 0.685) 3.981 5.049 ( 2.199 -2.582 3.565) 4.920 5.226 ( -0.134 3.017 1.447) 3.348 5.334 ( -3.580 2.925 -1.354) 4.817 5.573 ( 2.082 -2.328 -2.996) 4.328 5.814 ( 3.795 -2.557 6.755) 8.159 5.915 ( 0.277 -1.922 -5.872) 6.185 6.111 ( -6.275 4.074 -1.813) 7.698 6.207 ( 5.883 3.410 -0.468) 6.816 6.363 ( -2.281 -2.436 -0.741) 3.419 6.538 ( 2.313 2.975 -1.204) 3.956 6.716 ( -3.374 -3.697 -1.930) 5.365 6.967 ( 1.912 2.493 0.772) 3.236 7.010 ( -3.922 1.327 2.230) 4.703 7.297 ( -1.972 -4.355 2.307) 5.308 7.729 ( 1.322 -1.275 -0.689) 1.961 7.952 ( -1.564 -0.106 4.836) 5.084 8.130 ( 2.510 -4.628 2.246) 5.724 8.449 ( 3.898 1.366 -4.002) 5.751 8.495 ( -3.145 1.151 -0.896) 3.467 8.585 ( -0.732 -1.932 -2.056) 2.915 9.040 ( 1.091 0.189 -2.401) 2.644 9.087 ( 0.099 3.123 -1.279) 3.376 9.214 ( -0.303 -3.410 0.794) 3.514 9.340 ( -0.931 2.416 4.824) 5.475 9.739 ( -0.602 0.870 4.118) 4.252 9.801 ( -0.454 -0.227 3.974) 4.006 10.054 ( 0.910 -1.176 -5.176) 5.386 11.789 ( 2.012 6.661 -2.202) 7.299 12.295 ( -5.605 -11.440 6.007) 14.085 12.635 ( 0.004 -0.284 -1.024) 1.063 12.974 ( 0.859 6.272 -1.577) 6.524 13.167 ( 3.353 -5.063 -3.716) 7.120 13.574 ( 17.397 -15.872 -4.519) 23.979 13.902 ( 2.571 -4.503 2.081) 5.587 14.037 ( -7.047 16.521 7.084) 19.307 14.117 ( -15.890 22.278 -3.390) 27.574 15.076 ( -2.013 -6.411 17.548) 18.790 15.990 ( 5.903 -4.066 -16.828) 18.291 16.046 ( -0.113 0.409 -4.670) 4.689 17.086 ( -1.269 -1.163 3.786) 4.159 ======================= Grid point 260 (127/172) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -8.473 0.000 -20.800) 22.459 1.739 ( 4.917 -0.000 2.180) 5.378 1.843 ( -4.377 0.000 -5.863) 7.317 2.101 ( -2.921 0.000 -0.969) 3.078 2.205 ( 8.232 -0.000 -0.057) 8.232 2.337 ( 0.035 -0.000 -4.968) 4.968 2.372 ( -8.011 0.000 5.182) 9.541 2.643 ( 2.813 -0.000 -0.371) 2.838 2.679 ( -1.042 0.000 -7.472) 7.544 2.902 ( 5.545 -0.000 -1.852) 5.846 3.353 ( -9.522 0.000 0.197) 9.524 3.398 ( 2.564 -0.000 3.963) 4.720 3.638 ( 0.476 -0.000 -2.613) 2.656 3.919 ( -1.741 0.000 -2.167) 2.779 4.198 ( -0.913 0.000 2.269) 2.446 4.305 ( -3.028 0.000 9.204) 9.689 4.696 ( -2.242 0.000 0.768) 2.369 4.805 ( -1.826 0.000 -3.351) 3.817 4.811 ( 11.194 -0.000 3.308) 11.673 4.852 ( 1.432 -0.000 -3.883) 4.139 4.876 ( 1.334 -0.000 -0.130) 1.340 5.161 ( -0.429 0.000 1.545) 1.604 5.592 ( 0.683 -0.000 11.893) 11.913 5.685 ( 2.345 -0.000 -5.535) 6.011 5.761 ( 4.447 -0.000 -4.019) 5.994 5.797 ( 0.946 -0.000 1.495) 1.769 5.914 ( -3.481 0.000 0.393) 3.503 6.128 ( -1.078 0.000 1.356) 1.732 6.176 ( -0.319 0.000 -5.099) 5.109 6.668 ( -6.346 0.000 9.856) 11.722 6.694 ( 1.057 -0.000 2.759) 2.954 7.070 ( -1.386 0.000 -4.775) 4.972 7.129 ( 7.366 -0.000 -7.466) 10.488 7.354 ( -1.639 0.000 1.299) 2.092 7.923 ( -1.201 0.000 -0.693) 1.386 7.967 ( 3.033 -0.000 -3.533) 4.656 7.988 ( 3.926 -0.000 7.229) 8.226 8.149 ( -1.959 0.000 3.553) 4.057 8.239 ( -2.412 0.000 0.491) 2.462 8.395 ( -2.297 0.000 -1.708) 2.862 8.424 ( 0.132 -0.000 -3.370) 3.372 9.120 ( 3.054 -0.000 4.609) 5.529 9.315 ( 0.425 -0.000 -5.061) 5.079 9.858 ( -2.432 0.000 2.616) 3.572 10.090 ( -1.733 0.000 1.547) 2.323 10.371 ( 0.575 -0.000 1.783) 1.874 10.492 ( -1.566 0.000 -3.881) 4.185 11.065 ( 5.895 -0.000 0.079) 5.895 11.386 ( -7.407 0.000 0.035) 7.407 12.139 ( 4.017 -0.000 -2.251) 4.605 12.353 ( -2.339 0.000 0.827) 2.481 12.943 ( -0.459 0.000 -0.902) 1.012 13.782 ( 0.167 -0.000 9.566) 9.568 14.118 ( 13.651 -0.000 -1.126) 13.698 14.248 ( -10.081 0.000 -6.835) 12.180 14.386 ( -0.040 0.000 -7.595) 7.595 15.837 ( -5.350 0.000 17.990) 18.768 16.272 ( 0.812 -0.000 -2.749) 2.866 16.657 ( 3.376 -0.000 -5.061) 6.084 17.256 ( -2.665 0.000 -2.606) 3.728 ======================= Grid point 261 (128/172) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -4.023 -20.468 -14.415) 25.356 1.752 ( -8.898 -0.496 -6.829) 11.228 1.967 ( -0.710 -17.747 1.704) 17.842 2.179 ( -3.068 -10.812 -0.770) 11.265 2.299 ( -1.276 -5.151 2.037) 5.684 2.329 ( -4.220 -2.344 -4.190) 6.391 2.435 ( 6.241 -6.786 3.377) 9.819 2.692 ( 3.064 -3.394 1.492) 4.809 2.782 ( 0.286 -10.719 -7.687) 13.194 2.970 ( 4.216 -3.310 -6.041) 8.076 3.296 ( -9.516 -4.168 2.671) 10.726 3.513 ( 0.611 -7.252 3.652) 8.143 3.635 ( -2.130 -3.146 -0.978) 3.923 3.901 ( 2.205 1.084 -3.860) 4.576 4.233 ( 2.526 -1.458 3.780) 4.774 4.298 ( -3.184 -1.109 8.124) 8.796 4.607 ( 0.398 6.816 -1.141) 6.922 4.712 ( 1.345 3.868 -1.278) 4.290 4.819 ( 1.341 2.088 -1.081) 2.707 4.882 ( 2.138 -0.891 0.092) 2.318 5.066 ( 5.752 -8.394 0.656) 10.197 5.155 ( -0.867 -0.224 0.470) 1.011 5.518 ( 1.101 7.213 6.975) 10.094 5.706 ( -3.967 5.873 -0.552) 7.108 5.724 ( -1.349 -2.521 -1.913) 3.440 5.826 ( 4.746 -3.037 -6.595) 8.674 5.955 ( 0.576 0.255 2.225) 2.313 6.080 ( -1.046 -3.068 0.614) 3.299 6.328 ( 3.954 -9.535 -1.706) 10.462 6.617 ( -2.828 1.822 6.866) 7.646 6.717 ( -0.547 -1.193 3.084) 3.351 7.110 ( 1.485 -3.560 -2.941) 4.851 7.163 ( 5.562 0.257 -6.618) 8.648 7.318 ( 1.064 3.473 1.592) 3.966 7.789 ( -0.075 10.175 2.623) 10.507 8.001 ( 2.575 -3.791 -1.225) 4.744 8.118 ( -2.251 1.913 -0.139) 2.957 8.132 ( 1.407 -5.733 0.375) 5.915 8.276 ( -1.467 -2.945 6.171) 6.993 8.355 ( -3.110 -2.135 -4.363) 5.768 8.472 ( 0.748 -4.653 -1.951) 5.101 9.124 ( 1.338 2.238 3.981) 4.759 9.301 ( 0.541 1.204 -5.888) 6.035 9.807 ( -1.699 3.897 3.767) 5.680 10.039 ( -2.887 3.433 1.848) 4.851 10.328 ( 0.931 5.338 1.581) 5.644 10.419 ( -1.684 5.426 -2.882) 6.370 11.179 ( 4.596 -7.303 -2.039) 8.867 11.383 ( -9.339 -7.388 2.443) 12.156 12.222 ( 7.477 -4.201 -3.508) 9.266 12.377 ( -1.054 -4.082 1.671) 4.535 12.912 ( -0.150 2.589 -0.675) 2.680 13.888 ( -0.753 -9.294 8.700) 12.753 14.126 ( -9.951 2.115 -6.145) 11.885 14.173 ( 12.325 5.901 -1.467) 13.743 14.504 ( -0.945 -13.152 -7.206) 15.026 15.707 ( -7.281 10.382 16.497) 20.807 16.249 ( 0.688 2.802 -2.061) 3.546 16.571 ( 2.884 11.857 -6.665) 13.904 17.204 ( -2.326 2.597 -0.153) 3.490 ======================= Grid point 262 (129/172) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -1.819 -14.718 -9.238) 17.472 1.694 ( -10.518 -4.425 -10.313) 15.380 2.213 ( 2.303 -2.693 8.357) 9.077 2.342 ( -11.379 -8.621 2.822) 14.553 2.409 ( -1.719 -14.968 -2.526) 15.276 2.460 ( 1.034 -10.709 -1.474) 10.859 2.626 ( 4.332 -10.545 2.813) 11.742 2.850 ( 3.259 -9.493 -1.371) 10.130 2.982 ( 2.489 -10.704 -9.941) 14.818 3.098 ( -0.674 -10.456 -9.438) 14.102 3.393 ( -6.378 -10.995 0.558) 12.723 3.519 ( -4.451 -1.379 8.081) 9.328 3.840 ( 3.803 -11.374 -0.137) 11.994 3.909 ( 3.279 -0.931 -5.447) 6.426 4.222 ( -1.051 3.063 -0.602) 3.293 4.347 ( 1.791 -4.241 9.267) 10.348 4.546 ( 2.863 0.586 0.388) 2.948 4.684 ( 2.791 1.272 1.473) 3.403 4.787 ( 0.096 1.207 -0.221) 1.231 4.928 ( 3.857 -0.903 1.388) 4.197 5.161 ( -0.749 -1.366 -7.098) 7.267 5.218 ( -0.784 -4.313 7.796) 8.944 5.418 ( 2.620 4.787 5.468) 7.726 5.555 ( -5.655 5.060 -2.644) 8.036 5.738 ( -0.816 -0.328 -0.647) 1.091 5.910 ( 1.520 1.970 -0.188) 2.496 5.952 ( 3.653 -5.860 -8.668) 11.082 6.185 ( -1.902 -6.492 4.437) 8.090 6.489 ( 2.223 -3.163 0.595) 3.912 6.579 ( 1.727 2.146 2.805) 3.932 6.732 ( -1.683 -1.817 0.400) 2.508 7.121 ( 2.602 2.974 -2.631) 4.747 7.225 ( 4.856 4.036 4.908) 7.997 7.301 ( 1.156 -2.832 -4.548) 5.481 7.625 ( 0.687 4.978 2.650) 5.682 8.051 ( -2.930 1.198 -1.319) 3.430 8.081 ( -0.103 1.962 0.236) 1.979 8.178 ( 3.111 -0.549 -0.231) 3.167 8.312 ( -0.940 -5.352 -0.113) 5.435 8.459 ( -3.515 -8.751 0.500) 9.444 8.607 ( 2.227 -8.655 -0.695) 8.964 9.076 ( -0.989 3.046 2.432) 4.022 9.274 ( 0.832 1.492 -6.024) 6.261 9.705 ( -1.205 6.137 4.313) 7.597 9.929 ( -2.839 5.764 2.806) 7.011 10.211 ( 0.718 8.080 1.205) 8.201 10.283 ( -1.185 7.411 -1.669) 7.689 11.385 ( 1.867 -11.874 -5.645) 13.279 11.497 ( -8.267 -13.129 6.491) 16.818 12.415 ( 11.278 -8.466 -4.650) 14.849 12.485 ( 0.291 -7.751 2.323) 8.097 12.863 ( 0.571 2.362 -0.692) 2.527 13.882 ( -5.174 7.950 -6.193) 11.329 14.107 ( 5.644 6.143 0.943) 8.396 14.217 ( -1.277 -13.470 7.195) 15.324 14.754 ( -5.151 -15.492 -6.576) 17.601 15.384 ( -7.976 19.108 13.835) 24.902 16.177 ( 1.939 7.074 -1.653) 7.519 16.296 ( 2.854 17.010 -8.905) 19.411 17.142 ( -1.505 2.335 2.613) 3.814 ======================= Grid point 263 (130/172) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -2.453 -6.985 -7.564) 10.584 1.720 ( -6.364 -7.389 -14.693) 17.634 2.224 ( -1.096 0.680 13.508) 13.570 2.418 ( -5.098 -5.994 6.235) 10.040 2.509 ( 1.017 -1.165 -0.683) 1.691 2.731 ( 0.520 -14.320 -4.412) 14.993 2.842 ( 0.907 -8.380 -1.903) 8.641 3.066 ( 4.326 -8.178 -3.781) 9.994 3.192 ( -2.327 -8.435 -8.493) 12.193 3.238 ( 0.058 -6.635 -6.053) 8.981 3.462 ( -4.536 -11.571 1.862) 12.567 3.647 ( -0.026 -3.971 1.257) 4.165 3.934 ( -2.848 -9.634 -0.930) 10.089 4.016 ( 3.465 -0.024 -5.754) 6.716 4.260 ( 2.627 -7.156 -0.488) 7.639 4.477 ( 4.195 -5.675 8.025) 10.687 4.598 ( 2.759 -2.545 4.206) 5.637 4.719 ( 2.398 -2.167 2.967) 4.388 4.801 ( 1.227 -2.090 1.213) 2.710 4.976 ( 2.745 -0.995 1.843) 3.453 5.118 ( -0.289 5.019 -2.982) 5.845 5.256 ( -6.656 -4.520 0.702) 8.076 5.389 ( 1.958 4.943 7.100) 8.870 5.478 ( -3.111 -3.213 -2.488) 5.118 5.746 ( 3.882 0.105 2.930) 4.865 5.880 ( -1.078 0.729 -6.298) 6.431 6.103 ( 2.419 -7.610 -6.929) 10.572 6.245 ( -4.179 -1.683 2.890) 5.353 6.480 ( 0.643 4.799 3.836) 6.177 6.557 ( 1.252 1.913 1.318) 2.639 6.739 ( -1.553 0.729 -3.886) 4.248 7.068 ( -0.544 3.172 -1.174) 3.426 7.143 ( 2.222 6.721 3.132) 7.741 7.292 ( 4.242 3.991 1.564) 6.030 7.743 ( 2.974 -12.327 0.465) 12.689 7.931 ( -1.605 9.159 2.489) 9.626 8.016 ( -0.217 2.188 0.140) 2.203 8.281 ( 2.056 -5.887 -3.682) 7.241 8.414 ( -0.484 -5.922 -0.563) 5.969 8.563 ( -1.736 -4.257 1.498) 4.836 8.790 ( 0.413 -9.531 -0.256) 9.543 9.031 ( -1.760 -0.035 0.257) 1.779 9.249 ( 0.971 1.463 -4.336) 4.678 9.578 ( -1.314 7.220 4.391) 8.552 9.810 ( -1.615 5.079 3.717) 6.497 10.060 ( 0.052 8.966 2.201) 9.233 10.146 ( 0.015 6.184 -2.770) 6.776 11.596 ( -5.134 -13.303 -5.041) 15.124 11.734 ( -0.631 -15.587 6.627) 16.949 12.635 ( 3.902 -4.639 -0.684) 6.100 12.686 ( 6.366 -10.661 -0.268) 12.420 12.892 ( 7.038 -6.358 -2.625) 9.841 13.654 ( -3.436 11.015 -8.143) 14.123 14.002 ( 5.407 9.278 1.969) 10.918 14.443 ( -9.330 -9.967 8.358) 16.008 14.819 ( -20.419 3.194 -10.613) 23.233 14.982 ( 1.651 15.698 20.692) 26.025 15.999 ( 10.684 10.783 -9.981) 18.167 16.139 ( 0.501 4.360 -5.422) 6.976 17.099 ( -1.088 1.554 3.811) 4.257 ======================= Grid point 264 (131/172) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -0.761 -4.060 -8.668) 9.602 1.791 ( -2.095 -5.872 -18.578) 19.597 2.232 ( -0.832 -0.404 19.448) 19.470 2.451 ( -4.033 -1.867 -1.016) 4.559 2.554 ( 1.656 -2.482 4.584) 5.469 2.897 ( -5.531 -7.267 -11.224) 14.470 2.983 ( 1.445 -1.114 2.289) 2.927 3.068 ( 5.081 1.882 0.242) 5.424 3.228 ( 3.309 -0.808 -4.985) 6.038 3.439 ( -1.128 -5.929 -2.070) 6.381 3.635 ( -3.267 -5.858 -4.580) 8.122 3.694 ( 1.857 -7.795 -2.248) 8.322 4.004 ( -2.778 -1.254 -12.775) 13.133 4.176 ( 0.029 -13.665 3.710) 14.160 4.396 ( 4.326 -3.863 2.228) 6.213 4.606 ( 3.425 -2.545 3.679) 5.634 4.656 ( 2.015 -0.330 5.376) 5.750 4.771 ( -0.703 -0.273 3.262) 3.348 4.877 ( 2.141 -4.385 3.467) 5.986 5.006 ( -2.251 1.772 2.998) 4.147 5.039 ( 3.181 0.655 2.291) 3.974 5.260 ( -2.433 -0.774 -7.294) 7.728 5.320 ( -4.392 1.950 8.685) 9.926 5.541 ( 1.551 -3.307 -0.843) 3.748 5.821 ( 5.986 -2.108 6.493) 9.079 5.856 ( -1.875 -1.442 -11.006) 11.257 6.139 ( -7.651 4.708 -1.708) 9.144 6.255 ( 0.270 -5.267 -1.726) 5.549 6.366 ( 1.509 7.047 3.407) 7.972 6.558 ( -0.584 -1.589 1.020) 1.976 6.690 ( 1.038 2.595 -4.390) 5.204 7.009 ( -1.716 1.906 -0.341) 2.587 7.062 ( 0.731 4.883 1.388) 5.129 7.274 ( 2.800 1.754 3.766) 5.010 7.777 ( -0.436 5.766 1.474) 5.968 7.958 ( -0.704 -1.298 0.738) 1.651 8.020 ( 4.496 -7.853 1.597) 9.188 8.390 ( -0.417 -5.108 -2.891) 5.884 8.498 ( -0.850 -3.658 0.434) 3.780 8.574 ( 0.650 1.791 -1.244) 2.276 8.955 ( -1.276 -8.980 -0.829) 9.108 9.048 ( -0.869 -2.366 -1.225) 2.802 9.229 ( 1.195 1.471 -0.961) 2.125 9.434 ( -1.440 7.301 4.206) 8.548 9.742 ( -0.718 1.538 4.197) 4.527 9.901 ( -0.300 8.232 3.216) 8.843 10.067 ( 0.870 2.502 -4.391) 5.128 11.759 ( -4.893 -9.074 -2.892) 10.707 12.029 ( 2.181 -14.585 5.593) 15.772 12.650 ( 0.417 2.138 -1.178) 2.476 12.932 ( 4.404 -10.811 4.356) 12.460 13.158 ( 7.049 -5.163 -10.047) 13.315 13.503 ( 8.244 -1.572 -5.080) 9.810 13.906 ( 1.488 3.770 3.500) 5.355 14.278 ( -15.162 14.371 6.345) 21.833 14.352 ( -17.218 20.480 -5.323) 27.280 14.982 ( 1.683 -4.418 19.596) 20.158 16.002 ( 10.054 0.304 -15.292) 18.304 16.071 ( 0.020 2.821 -5.215) 5.930 17.075 ( -1.070 0.526 4.169) 4.336 ======================= Grid point 271 (132/172) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -2.268 0.000 -14.581) 14.756 1.648 ( -15.676 0.000 -4.836) 16.405 1.739 ( -5.287 0.000 -1.926) 5.627 2.048 ( -2.859 0.000 0.443) 2.893 2.192 ( -4.019 0.000 0.547) 4.056 2.317 ( -1.759 0.000 -2.360) 2.944 2.438 ( 9.210 -0.000 2.189) 9.466 2.675 ( 2.131 -0.000 -4.255) 4.759 2.684 ( 0.903 -0.000 1.072) 1.401 2.967 ( 1.196 -0.000 -6.969) 7.071 3.178 ( -9.344 0.000 6.866) 11.596 3.446 ( 0.367 -0.000 2.694) 2.719 3.571 ( -4.415 0.000 -2.911) 5.289 3.931 ( 3.723 -0.000 0.435) 3.748 4.265 ( 6.570 -0.000 2.753) 7.124 4.281 ( -0.689 0.000 6.885) 6.920 4.636 ( -4.679 0.000 -1.230) 4.838 4.781 ( -0.179 0.000 -3.214) 3.219 4.878 ( 1.531 -0.000 -2.030) 2.543 4.888 ( 3.744 -0.000 -3.203) 4.927 5.015 ( 8.412 -0.000 0.822) 8.452 5.161 ( -0.297 0.000 -0.154) 0.335 5.619 ( -0.474 0.000 9.133) 9.145 5.629 ( -6.388 0.000 -8.634) 10.740 5.808 ( -0.376 0.000 2.379) 2.409 5.837 ( 4.768 -0.000 -1.470) 4.990 5.887 ( 0.981 -0.000 2.680) 2.854 6.125 ( 0.718 -0.000 1.572) 1.728 6.229 ( 6.416 -0.000 -7.223) 9.661 6.619 ( -1.839 0.000 10.297) 10.460 6.710 ( 0.082 -0.000 2.123) 2.124 7.063 ( 1.857 -0.000 -3.992) 4.403 7.212 ( 2.934 -0.000 -8.748) 9.227 7.403 ( 7.681 -0.000 3.460) 8.425 7.871 ( -3.978 0.000 -3.087) 5.035 8.019 ( 3.336 -0.000 -2.115) 3.950 8.061 ( 1.317 -0.000 8.280) 8.384 8.124 ( -1.956 0.000 4.506) 4.912 8.208 ( 0.401 -0.000 -3.881) 3.901 8.359 ( -1.860 0.000 1.638) 2.478 8.408 ( -1.065 0.000 -2.924) 3.112 9.161 ( 0.746 -0.000 3.195) 3.281 9.307 ( 0.205 -0.000 -6.876) 6.879 9.838 ( -0.891 0.000 4.960) 5.039 10.042 ( -3.971 0.000 2.171) 4.525 10.389 ( 1.003 -0.000 1.787) 2.049 10.452 ( -2.058 0.000 -3.126) 3.743 11.134 ( 1.358 -0.000 -5.933) 6.086 11.240 ( -8.198 0.000 5.870) 10.083 12.245 ( 8.251 -0.000 -3.693) 9.040 12.341 ( 0.839 -0.000 2.527) 2.663 12.936 ( -0.200 0.000 -0.676) 0.705 13.782 ( -2.452 0.000 8.927) 9.258 14.066 ( -8.605 0.000 -6.741) 10.931 14.328 ( -4.763 0.000 -7.312) 8.727 14.360 ( 14.239 -0.000 -1.836) 14.357 15.755 ( -8.580 0.000 17.804) 19.764 16.276 ( 0.311 -0.000 -1.514) 1.546 16.697 ( 2.579 -0.000 -6.865) 7.333 17.206 ( -2.767 0.000 -0.202) 2.774 ======================= Grid point 272 (133/172) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.732 -21.501 -6.982) 22.618 1.501 ( -17.458 -2.022 -5.127) 18.307 1.881 ( -8.077 -20.086 -3.018) 21.858 2.132 ( -5.131 -10.648 1.578) 11.924 2.227 ( -2.226 -3.354 2.837) 4.925 2.319 ( 0.489 -5.934 -0.055) 5.954 2.560 ( 6.210 -3.057 0.921) 6.983 2.713 ( -1.523 -6.020 -1.198) 6.324 2.809 ( 4.295 -9.941 -3.081) 11.259 2.960 ( -3.905 -1.805 -9.129) 10.092 3.180 ( -2.792 -5.709 7.937) 10.168 3.446 ( -7.627 -1.919 2.668) 8.305 3.655 ( 4.157 -10.432 -0.217) 11.232 3.965 ( 6.196 1.377 -1.379) 6.495 4.271 ( -0.815 2.536 1.245) 2.940 4.338 ( 6.100 -1.474 6.181) 8.808 4.569 ( -2.831 1.297 -4.113) 5.159 4.744 ( 2.208 2.379 -0.863) 3.359 4.850 ( 1.813 4.379 -0.275) 4.747 4.936 ( 3.870 -2.570 -2.414) 5.235 5.124 ( -1.872 -0.359 -7.325) 7.569 5.162 ( 4.871 -3.497 5.903) 8.414 5.500 ( -4.941 4.494 -3.630) 7.602 5.637 ( -2.233 2.110 5.784) 6.549 5.712 ( -0.099 3.305 -0.173) 3.311 5.905 ( 5.617 -2.367 -5.275) 8.061 5.971 ( 0.227 -1.068 4.490) 4.621 6.082 ( 0.668 -0.323 0.503) 0.897 6.392 ( 2.848 -8.480 -5.408) 10.453 6.624 ( 2.064 0.377 9.106) 9.345 6.710 ( -0.952 0.074 1.537) 1.810 7.143 ( 3.251 -4.953 -1.887) 6.218 7.204 ( 1.307 0.062 -8.065) 8.171 7.427 ( 9.535 6.236 4.165) 12.131 7.768 ( -2.324 7.186 0.173) 7.555 8.008 ( -2.535 -0.061 -2.093) 3.288 8.091 ( 1.530 -1.648 -0.560) 2.317 8.185 ( 2.540 -3.993 3.237) 5.734 8.261 ( -1.565 -1.926 6.002) 6.495 8.301 ( -1.980 -0.803 -3.809) 4.367 8.481 ( 0.870 -6.918 -0.674) 7.005 9.133 ( -0.934 3.285 2.102) 4.010 9.293 ( 0.309 0.808 -7.376) 7.426 9.797 ( -0.949 4.172 5.088) 6.648 9.983 ( -3.890 2.916 3.345) 5.901 10.346 ( 0.644 5.612 -0.067) 5.649 10.384 ( -1.617 4.760 -0.699) 5.076 11.169 ( -7.605 -7.322 -5.496) 11.902 11.282 ( 0.035 -7.787 5.291) 9.415 12.358 ( 5.535 -5.431 -1.676) 7.933 12.406 ( 6.959 -4.134 0.610) 8.117 12.909 ( -0.037 2.290 -0.629) 2.375 13.875 ( -2.786 -10.272 7.655) 13.110 13.957 ( -7.407 3.089 -6.221) 10.154 14.301 ( -0.421 0.110 -3.845) 3.870 14.503 ( 5.599 -5.758 -4.659) 9.285 15.602 ( -8.771 10.212 17.400) 21.999 16.253 ( 0.376 2.493 -1.358) 2.863 16.593 ( 1.401 12.041 -9.026) 15.114 17.168 ( -1.871 1.631 2.564) 3.569 ======================= Grid point 273 (134/172) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.065 -12.469 -4.234) 13.168 1.457 ( -13.941 -9.704 -7.787) 18.686 2.129 ( -13.597 -7.644 6.375) 16.851 2.293 ( 3.710 -12.849 6.023) 14.667 2.367 ( -2.248 -17.329 -1.543) 17.542 2.499 ( 4.105 -4.427 -0.389) 6.050 2.686 ( 0.997 -9.585 0.874) 9.676 2.840 ( -0.218 -8.969 -10.685) 13.952 2.991 ( -8.001 -9.290 -5.390) 13.393 3.065 ( 5.607 -12.962 -3.572) 14.567 3.304 ( -4.126 -6.154 1.336) 7.529 3.470 ( -1.996 -8.142 10.672) 13.571 3.923 ( 5.661 -7.287 0.701) 9.255 3.974 ( 5.083 -0.644 -5.332) 7.395 4.185 ( -1.912 1.146 -7.614) 7.933 4.444 ( 6.005 -3.378 7.447) 10.145 4.575 ( 1.000 -2.014 0.612) 2.330 4.737 ( 1.695 1.169 2.386) 3.152 4.803 ( 1.939 0.991 0.392) 2.212 5.008 ( 4.919 -0.806 -1.341) 5.162 5.096 ( -4.908 -1.801 -2.501) 5.796 5.218 ( -0.205 2.313 2.545) 3.445 5.403 ( -4.822 0.539 -7.239) 8.715 5.542 ( 4.193 6.718 7.995) 11.253 5.717 ( -1.437 -3.310 -1.500) 3.908 5.929 ( 0.882 4.088 -0.494) 4.211 6.014 ( 4.772 -4.897 -4.691) 8.292 6.136 ( -4.792 -4.575 2.219) 6.987 6.501 ( -0.910 -2.861 0.420) 3.031 6.627 ( 1.665 3.241 2.744) 4.561 6.720 ( 0.618 -1.447 0.484) 1.647 7.124 ( -0.606 3.779 -3.815) 5.404 7.337 ( 3.694 4.886 -1.355) 6.273 7.351 ( 7.329 -0.374 3.101) 7.966 7.648 ( 1.955 1.948 1.579) 3.179 8.003 ( -2.368 -1.349 -0.830) 2.849 8.082 ( 0.105 5.602 1.591) 5.825 8.218 ( 1.048 -1.039 -2.484) 2.889 8.302 ( 0.556 -6.001 1.217) 6.148 8.415 ( -1.730 -8.814 1.527) 9.111 8.644 ( 1.996 -8.483 0.654) 8.739 9.049 ( -2.394 3.696 0.950) 4.505 9.273 ( 0.719 0.978 -6.218) 6.336 9.694 ( -1.687 6.244 5.017) 8.186 9.887 ( -2.721 4.591 4.021) 6.682 10.212 ( -0.723 8.158 -1.574) 8.340 10.271 ( 0.117 6.814 0.799) 6.862 11.272 ( -9.604 -12.675 -2.020) 16.030 11.501 ( 3.700 -13.244 2.302) 13.943 12.511 ( 2.178 -8.223 2.808) 8.958 12.620 ( 12.601 -8.300 -4.161) 15.652 12.876 ( 1.134 0.392 -1.001) 1.563 13.786 ( -3.511 8.070 -6.542) 10.966 14.070 ( -6.825 -9.002 4.006) 11.986 14.289 ( 3.114 0.424 2.782) 4.197 14.612 ( -8.064 -5.247 -7.918) 12.460 15.308 ( -4.751 16.204 18.606) 25.126 16.194 ( 0.605 4.232 -1.534) 4.542 16.325 ( 2.825 15.309 -12.204) 19.780 17.128 ( -0.671 1.937 4.523) 4.966 ======================= Grid point 274 (135/172) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.280 -6.875 -4.831) 8.407 1.571 ( -6.978 -11.890 -10.907) 17.579 2.146 ( -10.695 -6.407 13.592) 18.444 2.409 ( 1.787 -0.924 0.087) 2.013 2.556 ( 3.666 -0.578 5.930) 6.995 2.726 ( -0.646 -5.915 -9.369) 11.099 2.843 ( 0.938 -18.490 -1.941) 18.615 3.051 ( -4.373 -5.534 -7.790) 10.509 3.129 ( 0.487 -14.774 -0.623) 14.795 3.305 ( 3.954 -7.135 -2.808) 8.627 3.384 ( -2.091 -9.822 2.232) 10.287 3.651 ( -1.434 -7.288 4.543) 8.707 3.931 ( 3.748 -0.562 -4.613) 5.970 4.048 ( 1.904 -1.184 -8.135) 8.438 4.319 ( 3.899 -9.657 -0.651) 10.435 4.562 ( 3.171 -4.548 4.439) 7.102 4.648 ( 2.399 -3.404 3.202) 5.253 4.744 ( 0.368 -1.827 4.250) 4.641 4.840 ( 0.848 -1.800 0.576) 2.071 5.019 ( 1.783 2.835 1.638) 3.728 5.105 ( -0.616 0.122 -1.463) 1.592 5.147 ( -5.649 -1.258 3.872) 6.963 5.338 ( -4.584 1.021 -6.057) 7.664 5.532 ( 5.778 1.069 4.932) 7.671 5.783 ( -0.612 -4.101 -3.606) 5.496 5.873 ( 1.857 2.241 -1.644) 3.342 6.120 ( -4.452 -0.282 -0.796) 4.532 6.144 ( -2.078 -5.299 -0.467) 5.711 6.478 ( -2.544 3.995 3.305) 5.775 6.576 ( 1.319 2.932 -0.311) 3.230 6.729 ( 0.823 0.525 -1.066) 1.445 7.036 ( -2.237 3.777 -2.801) 5.207 7.203 ( 4.386 8.221 1.354) 9.416 7.390 ( 5.916 4.997 4.027) 8.729 7.795 ( 2.797 -11.281 -0.717) 11.644 7.912 ( -1.214 7.245 3.350) 8.074 8.035 ( 2.188 1.582 -0.389) 2.728 8.276 ( -1.473 -5.439 -4.069) 6.951 8.415 ( 0.089 -5.018 3.221) 5.964 8.554 ( 0.792 -5.718 -0.075) 5.773 8.789 ( -0.736 -6.893 0.579) 6.956 9.000 ( -1.551 -0.945 -0.816) 1.991 9.258 ( 1.223 0.950 -3.016) 3.391 9.559 ( -2.146 7.196 4.632) 8.823 9.793 ( -1.329 3.930 3.982) 5.751 10.051 ( -1.203 8.388 0.345) 8.481 10.154 ( 1.296 6.157 -1.817) 6.549 11.450 ( -8.537 -15.266 -1.105) 17.526 11.808 ( 5.814 -15.136 2.327) 16.381 12.667 ( 1.216 -3.505 0.645) 3.766 12.800 ( 5.351 -5.985 1.829) 8.234 13.040 ( 9.855 -12.635 -5.980) 17.103 13.606 ( 0.386 7.760 -6.307) 10.007 14.009 ( -7.092 6.103 3.906) 10.139 14.334 ( -2.760 1.615 2.513) 4.068 14.447 ( -19.549 8.716 -7.098) 22.550 15.067 ( 2.229 9.049 22.219) 24.094 16.117 ( 2.584 4.445 -3.453) 6.194 16.148 ( 5.296 6.524 -15.833) 17.925 17.096 ( -0.165 1.793 5.094) 5.403 ======================= Grid point 282 (136/172) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.699 -0.000 -2.495) 2.591 1.310 ( -21.909 0.000 -2.860) 22.095 1.592 ( -9.265 0.000 -5.496) 10.773 1.989 ( -3.813 0.000 0.257) 3.822 2.160 ( -0.794 0.000 -0.381) 0.880 2.237 ( -9.195 0.000 6.422) 11.216 2.589 ( 7.572 -0.000 -0.886) 7.624 2.646 ( -3.930 0.000 1.491) 4.204 2.737 ( 5.713 -0.000 -0.604) 5.745 2.896 ( -6.535 0.000 -8.508) 10.728 3.167 ( 6.329 -0.000 9.406) 11.337 3.354 ( -8.337 0.000 0.594) 8.358 3.586 ( 4.086 -0.000 -0.823) 4.168 4.044 ( 8.404 -0.000 2.535) 8.778 4.294 ( -1.102 0.000 1.503) 1.864 4.390 ( 6.438 -0.000 3.006) 7.105 4.534 ( -4.267 0.000 -7.199) 8.368 4.782 ( 0.942 -0.000 -2.830) 2.983 4.895 ( 0.903 -0.000 -1.226) 1.523 4.964 ( 5.546 -0.000 -2.484) 6.077 5.078 ( -2.689 0.000 -10.029) 10.383 5.200 ( 6.808 -0.000 6.377) 9.328 5.476 ( -7.803 0.000 -8.910) 11.844 5.614 ( -2.127 0.000 6.858) 7.180 5.793 ( -1.717 0.000 2.256) 2.835 5.894 ( 1.522 -0.000 8.282) 8.421 5.972 ( 6.969 -0.000 -2.120) 7.284 6.162 ( 2.689 -0.000 1.931) 3.310 6.277 ( -0.050 0.000 -12.866) 12.866 6.663 ( 4.410 -0.000 11.250) 12.083 6.706 ( -0.810 0.000 1.002) 1.288 7.113 ( 4.526 -0.000 -3.297) 5.599 7.213 ( 0.063 -0.000 -6.334) 6.334 7.597 ( 12.290 -0.000 3.828) 12.873 7.782 ( -5.126 0.000 -3.106) 5.994 8.045 ( -3.591 0.000 3.327) 4.895 8.072 ( 2.989 -0.000 -1.271) 3.248 8.097 ( -2.205 0.000 3.885) 4.467 8.255 ( 4.459 -0.000 -2.230) 4.985 8.347 ( 0.266 -0.000 5.233) 5.240 8.378 ( -1.601 0.000 -1.991) 2.554 9.161 ( -1.060 0.000 0.197) 1.078 9.293 ( 0.185 -0.000 -8.021) 8.023 9.833 ( -1.987 0.000 4.384) 4.813 9.984 ( -2.697 0.000 5.383) 6.021 10.402 ( -1.013 0.000 -3.077) 3.240 10.419 ( -0.008 0.000 2.481) 2.481 11.019 ( -9.626 0.000 -3.071) 10.104 11.214 ( 0.643 -0.000 2.045) 2.143 12.340 ( 2.961 -0.000 1.530) 3.333 12.442 ( 10.393 -0.000 -1.528) 10.505 12.931 ( -0.250 0.000 -0.592) 0.643 13.740 ( -4.321 0.000 7.529) 8.681 13.944 ( -3.385 0.000 -5.310) 6.297 14.196 ( -8.541 0.000 -6.446) 10.701 14.577 ( 10.688 -0.000 -2.434) 10.962 15.635 ( -9.197 0.000 17.780) 20.018 16.279 ( 0.362 -0.000 -1.140) 1.196 16.702 ( -0.449 0.000 -10.453) 10.462 17.173 ( -0.825 0.000 4.589) 4.662 ======================= Grid point 283 (137/172) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 2.228 -21.899 0.378) 22.015 1.154 ( -20.928 -5.252 -2.676) 21.743 1.723 ( -8.407 -21.132 -4.308) 23.147 2.005 ( -9.412 -5.386 4.328) 11.676 2.210 ( -2.511 -8.860 6.754) 11.420 2.319 ( -0.834 -14.351 0.052) 14.376 2.610 ( -0.140 0.118 1.107) 1.122 2.722 ( 4.461 -6.685 -2.856) 8.530 2.806 ( -8.975 -0.806 -8.898) 12.663 2.906 ( 6.177 -9.040 -0.379) 10.955 3.218 ( 0.914 -0.198 3.380) 3.507 3.365 ( 0.956 -5.322 7.271) 9.061 3.732 ( 4.139 -11.493 0.397) 12.222 4.095 ( 7.987 3.317 0.559) 8.666 4.209 ( -5.136 4.389 -9.609) 11.746 4.463 ( 6.569 -1.783 5.240) 8.589 4.536 ( 0.477 -2.498 -3.625) 4.428 4.776 ( 1.463 1.124 -0.557) 1.927 4.869 ( -0.160 3.733 0.522) 3.773 4.993 ( 1.965 -0.287 -2.237) 2.991 5.046 ( -3.021 -1.533 -8.822) 9.450 5.276 ( 5.645 0.943 3.472) 6.694 5.382 ( -5.242 1.383 -6.383) 8.375 5.630 ( -1.172 -1.818 6.567) 6.914 5.719 ( 0.645 5.553 1.174) 5.712 5.954 ( -0.308 -3.995 3.397) 5.253 6.016 ( 4.800 2.269 -1.066) 5.416 6.081 ( -1.230 3.074 -2.524) 4.163 6.380 ( -2.350 -7.845 -4.088) 9.153 6.686 ( -0.492 1.666 1.397) 2.229 6.725 ( 4.931 -0.161 6.238) 7.953 7.173 ( -0.190 2.061 -3.445) 4.019 7.239 ( 5.538 -7.519 -5.494) 10.834 7.592 ( 6.178 9.537 5.879) 12.794 7.749 ( 2.000 2.785 -0.624) 3.485 7.937 ( -4.735 0.790 -0.897) 4.884 8.131 ( 2.473 -1.547 -1.378) 3.226 8.198 ( -2.500 -6.825 6.030) 9.444 8.265 ( 0.568 3.802 2.509) 4.591 8.289 ( 2.236 -1.931 -2.915) 4.150 8.508 ( 2.261 -8.513 1.914) 9.014 9.107 ( -2.042 4.118 -0.711) 4.651 9.284 ( 0.720 0.395 -7.209) 7.256 9.773 ( -3.821 3.826 4.307) 6.913 9.944 ( -1.156 3.405 5.912) 6.919 10.330 ( -1.659 5.555 -2.906) 6.485 10.381 ( 0.588 4.672 2.374) 5.274 11.002 ( -9.360 -7.343 -1.447) 11.984 11.316 ( 2.103 -9.677 0.418) 9.911 12.414 ( 2.792 -4.879 2.912) 6.331 12.589 ( 11.970 -5.752 -3.097) 13.636 12.905 ( -0.373 2.061 -0.716) 2.213 13.803 ( -6.312 -7.767 3.903) 10.742 13.891 ( 0.911 2.173 -3.233) 4.001 14.185 ( -9.248 -6.861 -3.936) 12.169 14.615 ( 5.339 3.555 -3.855) 7.483 15.504 ( -6.389 8.296 17.820) 20.669 16.256 ( 0.273 2.506 -1.841) 3.121 16.565 ( -2.396 10.975 -11.832) 16.315 17.169 ( 1.507 1.575 6.826) 7.166 ======================= Grid point 284 (138/172) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -3.550 -9.535 0.664) 10.196 1.233 ( -6.563 -17.136 -4.724) 18.948 1.910 ( -13.431 -8.114 9.973) 18.592 2.295 ( -2.691 -30.778 -3.592) 31.103 2.391 ( 3.546 -7.824 2.000) 8.820 2.586 ( 4.161 -3.583 3.759) 6.654 2.652 ( -3.127 -4.829 -7.571) 9.509 2.783 ( -6.808 -16.766 -3.125) 18.363 2.882 ( 0.643 -6.796 -3.941) 7.882 3.148 ( 3.629 -10.947 -1.247) 11.600 3.262 ( -0.067 -5.069 3.701) 6.277 3.519 ( 3.971 -6.778 8.718) 11.736 4.003 ( 1.344 -6.009 -6.488) 8.945 4.027 ( 2.675 -0.097 0.429) 2.711 4.166 ( 3.933 -2.552 -10.422) 11.428 4.538 ( 2.170 -1.184 -0.367) 2.499 4.614 ( 3.955 -3.658 5.678) 7.827 4.750 ( -0.276 1.662 3.313) 3.717 4.819 ( -2.105 0.538 -1.179) 2.472 4.987 ( -4.634 -3.041 -1.851) 5.844 5.090 ( 3.240 -1.082 -4.441) 5.603 5.212 ( -0.812 5.164 1.429) 5.419 5.327 ( -1.560 3.922 -5.822) 7.191 5.643 ( 4.331 3.157 7.967) 9.602 5.685 ( -1.823 -3.850 -1.118) 4.404 5.946 ( 1.337 4.737 -2.353) 5.455 6.019 ( -5.769 -3.379 2.444) 7.118 6.095 ( 2.748 -2.558 -2.569) 4.549 6.459 ( -4.117 -3.261 0.300) 5.260 6.639 ( 0.013 2.857 0.391) 2.884 6.744 ( 1.076 1.157 2.286) 2.779 7.095 ( -1.702 4.472 -3.871) 6.155 7.409 ( 5.605 5.083 -2.203) 7.881 7.490 ( 7.477 -0.902 4.700) 8.878 7.699 ( 3.010 2.015 1.394) 3.881 7.951 ( -3.916 -2.970 0.862) 4.990 8.100 ( 1.618 4.232 1.104) 4.664 8.211 ( -0.247 0.379 -3.548) 3.577 8.328 ( 0.557 -5.269 4.458) 6.925 8.411 ( 1.386 -8.971 0.164) 9.079 8.677 ( 1.468 -6.884 1.761) 7.256 9.007 ( -2.307 3.527 -0.768) 4.284 9.280 ( 1.733 0.451 -4.342) 4.697 9.656 ( -4.107 5.469 4.887) 8.406 9.862 ( -1.071 4.677 4.459) 6.550 10.189 ( -1.188 7.847 -2.076) 8.203 10.282 ( 0.655 6.500 0.717) 6.572 11.114 ( -7.940 -13.005 -0.823) 15.259 11.578 ( 4.681 -15.119 0.516) 15.835 12.560 ( 2.547 -7.783 3.121) 8.764 12.800 ( 7.218 -2.733 -2.432) 8.092 12.907 ( 4.211 -6.870 -2.735) 8.509 13.743 ( -0.420 6.687 -4.002) 7.805 13.949 ( -7.162 -3.786 1.394) 8.220 14.232 ( -9.521 -6.308 1.457) 11.514 14.514 ( -1.563 8.770 -5.783) 10.621 15.300 ( -1.211 11.607 19.022) 22.316 16.195 ( 0.154 3.891 -3.162) 5.017 16.327 ( 0.601 10.270 -14.138) 17.485 17.153 ( 2.378 2.900 7.021) 7.960 ======================= Grid point 293 (139/172) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.266 -0.000 9.254) 9.257 0.915 ( -21.937 0.000 2.148) 22.042 1.434 ( -6.702 0.000 -6.908) 9.624 1.927 ( -3.105 0.000 -3.568) 4.730 2.041 ( -15.411 0.000 23.284) 27.922 2.129 ( -2.725 0.000 -2.576) 3.749 2.611 ( -2.275 0.000 -4.680) 5.204 2.694 ( 4.983 -0.000 -0.415) 5.000 2.759 ( -3.684 0.000 -6.973) 7.886 2.863 ( 8.431 -0.000 0.521) 8.447 3.230 ( -5.672 0.000 0.690) 5.713 3.368 ( 12.367 -0.000 8.787) 15.171 3.650 ( 2.918 -0.000 0.318) 2.936 4.185 ( -7.718 0.000 -9.112) 11.941 4.212 ( 9.233 -0.000 -1.537) 9.360 4.488 ( 4.118 -0.000 2.650) 4.897 4.522 ( 2.717 -0.000 -3.363) 4.323 4.799 ( 1.748 -0.000 -2.307) 2.895 4.873 ( -5.461 0.000 -0.797) 5.519 4.987 ( -1.792 0.000 -10.107) 10.265 5.059 ( 5.765 -0.000 -1.505) 5.958 5.307 ( -0.219 0.000 0.509) 0.554 5.371 ( 0.674 -0.000 -4.594) 4.643 5.579 ( -3.592 0.000 6.419) 7.355 5.772 ( -1.006 0.000 2.310) 2.520 5.926 ( -0.189 0.000 4.822) 4.825 6.056 ( 0.922 -0.000 -1.758) 1.985 6.193 ( -3.399 0.000 -5.923) 6.829 6.205 ( 1.313 -0.000 0.040) 1.314 6.693 ( -0.748 0.000 0.496) 0.898 6.800 ( 8.361 -0.000 6.692) 10.709 7.191 ( 5.006 -0.000 -4.211) 6.542 7.197 ( -0.480 0.000 -4.363) 4.389 7.699 ( -3.332 0.000 -0.982) 3.473 7.800 ( 8.726 -0.000 6.136) 10.667 7.985 ( -3.402 0.000 2.986) 4.527 8.048 ( -3.645 0.000 3.366) 4.962 8.129 ( 3.030 -0.000 -1.655) 3.453 8.303 ( 2.071 -0.000 -3.869) 4.388 8.349 ( -1.327 0.000 -0.769) 1.534 8.422 ( 6.371 -0.000 7.748) 10.031 9.133 ( -1.584 0.000 -3.475) 3.819 9.287 ( 1.380 -0.000 -6.933) 7.069 9.764 ( -6.453 0.000 3.286) 7.242 9.996 ( 1.980 -0.000 7.220) 7.486 10.362 ( -2.202 0.000 -2.337) 3.211 10.440 ( 1.171 -0.000 2.065) 2.374 10.854 ( -8.611 0.000 -0.781) 8.647 11.224 ( 0.473 -0.000 -0.973) 1.082 12.397 ( 3.105 -0.000 3.566) 4.728 12.628 ( 10.834 -0.000 -2.419) 11.101 12.925 ( -0.146 0.000 -0.261) 0.299 13.678 ( -4.036 0.000 5.444) 6.777 13.941 ( 4.092 -0.000 -2.898) 5.015 14.015 ( -10.644 0.000 -5.031) 11.773 14.685 ( 1.991 -0.000 -3.665) 4.171 15.546 ( -4.861 0.000 16.172) 16.887 16.278 ( -0.278 0.000 -2.838) 2.852 16.617 ( -6.407 0.000 -11.263) 12.957 17.227 ( 5.798 -0.000 9.032) 10.733 ======================= Grid point 294 (140/172) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -12.386 -14.515 3.587) 19.416 0.900 ( 2.753 -17.752 8.866) 20.033 1.591 ( -5.571 -19.642 -2.991) 20.635 1.847 ( -9.965 -5.277 9.059) 14.464 2.166 ( -4.037 -15.728 6.526) 17.500 2.286 ( -2.611 -19.140 -2.012) 19.422 2.572 ( -8.524 -2.089 -8.194) 12.007 2.687 ( 3.368 5.807 -2.345) 7.111 2.803 ( 4.415 -6.297 -0.068) 7.691 3.033 ( 7.264 -7.363 -0.329) 10.348 3.191 ( -1.411 -1.688 1.668) 2.761 3.496 ( 7.629 -2.309 7.491) 10.939 3.787 ( 1.859 -11.857 1.448) 12.089 4.060 ( -5.318 3.818 -14.983) 16.351 4.258 ( 8.881 3.332 -3.292) 10.040 4.533 ( -0.704 -0.275 -3.111) 3.202 4.582 ( 4.414 -4.715 6.477) 9.147 4.789 ( -2.672 2.322 -0.829) 3.636 4.802 ( -3.367 1.138 -2.996) 4.648 4.969 ( -0.202 2.230 -4.868) 5.358 5.055 ( 1.571 -0.300 -4.674) 4.940 5.300 ( -0.018 4.178 -2.260) 4.750 5.355 ( -0.488 -1.638 0.667) 1.835 5.613 ( -3.006 -3.398 4.324) 6.267 5.738 ( 1.384 4.014 1.755) 4.594 5.922 ( -3.314 -2.020 -0.693) 3.942 6.041 ( -1.424 0.418 0.281) 1.511 6.091 ( 3.213 3.559 1.780) 5.114 6.326 ( -2.724 -6.697 -1.825) 7.456 6.675 ( -0.418 1.468 0.149) 1.534 6.821 ( 4.162 4.709 4.520) 7.741 7.148 ( -1.598 3.272 -2.802) 4.595 7.339 ( 7.170 -9.713 -6.208) 13.575 7.665 ( 2.973 6.263 7.100) 9.923 7.808 ( -1.753 -0.102 1.434) 2.267 7.872 ( 1.452 5.268 0.425) 5.481 8.147 ( -2.400 -4.055 3.324) 5.767 8.169 ( 0.260 -3.441 0.220) 3.458 8.287 ( 1.685 1.277 -0.177) 2.121 8.335 ( 2.816 -1.187 -0.827) 3.166 8.573 ( 4.419 -6.790 3.985) 9.028 9.066 ( -2.291 4.538 -2.984) 5.895 9.297 ( 2.835 0.031 -4.981) 5.732 9.686 ( -6.613 2.460 3.933) 8.078 9.966 ( 1.611 5.522 6.169) 8.435 10.292 ( -1.942 4.847 -2.083) 5.622 10.397 ( 0.720 5.291 1.261) 5.487 10.858 ( -6.815 -7.722 -0.599) 10.317 11.353 ( 2.369 -12.251 -1.417) 12.558 12.471 ( 2.797 -4.586 3.774) 6.565 12.773 ( 9.364 -6.217 -3.001) 11.634 12.895 ( -0.438 2.573 -0.507) 2.658 13.720 ( -3.585 -5.288 2.872) 7.005 13.925 ( 0.433 1.986 -4.938) 5.340 14.026 ( -4.909 -6.300 0.242) 7.990 14.628 ( -2.784 5.276 -4.970) 7.765 15.473 ( -1.647 6.354 15.096) 16.462 16.244 ( -1.417 2.187 -5.635) 6.208 16.465 ( -5.396 7.850 -8.502) 12.768 17.264 ( 7.352 3.704 8.628) 11.925 ======================= Grid point 304 (141/172) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 3.931 -0.000 17.255) 17.698 0.697 ( -1.300 0.000 17.888) 17.935 1.349 ( -1.228 0.000 -6.524) 6.639 1.856 ( -3.818 0.000 -9.241) 9.999 1.859 ( -12.095 0.000 30.662) 32.961 2.060 ( -3.997 0.000 -3.534) 5.335 2.461 ( -10.201 0.000 -10.412) 14.576 2.766 ( 3.467 -0.000 0.378) 3.488 2.832 ( 9.825 -0.000 -1.053) 9.881 3.002 ( 6.695 -0.000 -0.000) 6.695 3.167 ( -1.868 0.000 1.127) 2.181 3.555 ( 5.639 -0.000 3.106) 6.438 3.680 ( 0.293 -0.000 1.682) 1.707 4.036 ( -3.400 0.000 -20.047) 20.334 4.377 ( 8.920 -0.000 -0.776) 8.954 4.520 ( -5.096 0.000 1.191) 5.234 4.540 ( 1.369 -0.000 1.612) 2.115 4.760 ( -2.931 0.000 -3.888) 4.869 4.831 ( 2.485 -0.000 -2.388) 3.446 4.961 ( -0.943 0.000 -7.738) 7.795 5.148 ( 4.508 -0.000 0.018) 4.508 5.242 ( -6.702 0.000 -0.184) 6.704 5.369 ( -1.243 0.000 -4.380) 4.553 5.523 ( -4.412 0.000 7.209) 8.451 5.778 ( 1.213 -0.000 3.420) 3.629 5.883 ( -3.226 0.000 -1.348) 3.496 6.036 ( 0.338 -0.000 3.100) 3.119 6.188 ( -3.073 0.000 -3.320) 4.524 6.208 ( 2.944 -0.000 2.714) 4.004 6.687 ( -0.215 0.000 0.806) 0.834 6.953 ( 6.552 -0.000 5.899) 8.816 7.184 ( 0.276 -0.000 -3.130) 3.142 7.251 ( 3.209 -0.000 -6.913) 7.621 7.683 ( 1.481 -0.000 2.682) 3.063 7.858 ( -3.146 0.000 10.310) 10.779 7.987 ( -3.895 0.000 2.043) 4.398 8.010 ( 5.869 -0.000 -1.351) 6.023 8.162 ( 0.969 -0.000 -1.611) 1.880 8.320 ( 0.211 -0.000 -0.724) 0.754 8.335 ( -0.009 0.000 0.129) 0.129 8.567 ( 7.986 -0.000 4.541) 9.187 9.087 ( -3.202 0.000 -5.272) 6.168 9.324 ( 4.599 -0.000 -4.787) 6.638 9.653 ( -6.308 0.000 3.720) 7.323 10.059 ( 3.183 -0.000 5.016) 5.941 10.319 ( -2.095 0.000 -1.795) 2.758 10.464 ( 1.158 -0.000 1.374) 1.796 10.728 ( -5.768 0.000 0.392) 5.781 11.232 ( 1.117 -0.000 -2.510) 2.748 12.457 ( 2.565 -0.000 4.386) 5.081 12.778 ( 6.327 -0.000 -2.051) 6.652 12.934 ( 1.384 -0.000 0.434) 1.450 13.649 ( 0.365 -0.000 2.578) 2.603 13.821 ( -10.386 0.000 -3.082) 10.834 14.052 ( 8.155 -0.000 -0.857) 8.200 14.628 ( -7.232 0.000 -6.134) 9.482 15.535 ( -0.551 0.000 11.887) 11.900 16.227 ( -5.123 0.000 -8.346) 9.793 16.486 ( -4.728 0.000 -1.449) 4.945 17.401 ( 11.087 -0.000 6.534) 12.870 ======================= Grid point 305 (142/172) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.000 0.000 0.000) 0.000 1.279 ( -0.000 0.000 0.000) 0.000 1.297 ( -0.000 0.000 -0.000) 0.000 1.577 ( -0.000 0.000 -0.000) 0.000 1.628 ( 0.000 -0.000 0.000) 0.000 1.971 ( 0.000 -0.000 0.000) 0.000 2.644 ( 0.000 -0.000 -0.000) 0.000 2.819 ( -0.000 0.000 0.000) 0.000 2.911 ( -0.000 0.000 0.000) 0.000 3.115 ( 0.000 -0.000 0.000) 0.000 3.128 ( -0.000 0.000 -0.000) 0.000 3.468 ( -0.000 0.000 0.000) 0.000 3.687 ( -0.000 0.000 0.000) 0.000 3.699 ( -0.000 0.000 0.000) 0.000 4.398 ( 0.000 -0.000 0.000) 0.000 4.518 ( -0.000 0.000 0.000) 0.000 4.556 ( -0.000 0.000 0.000) 0.000 4.738 ( -0.000 0.000 0.000) 0.000 4.826 ( -0.000 0.000 0.000) 0.000 4.850 ( 0.000 -0.000 0.000) 0.000 5.210 ( -0.000 0.000 0.000) 0.000 5.240 ( 0.000 -0.000 -0.000) 0.000 5.284 ( -0.000 0.000 0.000) 0.000 5.571 ( -0.000 0.000 0.000) 0.000 5.826 ( -0.000 0.000 0.000) 0.000 5.908 ( -0.000 0.000 -0.000) 0.000 6.015 ( 0.000 -0.000 0.000) 0.000 6.068 ( -0.000 0.000 0.000) 0.000 6.300 ( -0.000 0.000 0.000) 0.000 6.695 ( 0.000 -0.000 0.000) 0.000 7.114 ( -0.000 0.000 0.000) 0.000 7.152 ( 0.000 -0.000 -0.000) 0.000 7.182 ( -0.000 0.000 0.000) 0.000 7.786 ( -0.000 0.000 0.000) 0.000 7.947 ( 0.000 -0.000 0.000) 0.000 7.963 ( 0.000 -0.000 0.000) 0.000 8.022 ( -0.000 0.000 0.000) 0.000 8.146 ( 0.000 -0.000 0.000) 0.000 8.323 ( -0.000 0.000 0.000) 0.000 8.343 ( -0.000 0.000 0.000) 0.000 8.733 ( -0.000 0.000 0.000) 0.000 8.913 ( -0.000 0.000 0.000) 0.000 9.346 ( -0.000 0.000 0.000) 0.000 9.646 ( -0.000 0.000 0.000) 0.000 10.125 ( -0.000 0.000 0.000) 0.000 10.278 ( -0.000 0.000 0.000) 0.000 10.495 ( -0.000 0.000 0.000) 0.000 10.676 ( -0.000 0.000 0.000) 0.000 11.217 ( 0.000 -0.000 0.000) 0.000 12.547 ( -0.000 0.000 0.000) 0.000 12.800 ( -0.000 0.000 0.000) 0.000 12.964 ( -0.000 0.000 0.000) 0.000 13.656 ( -0.000 0.000 0.000) 0.000 13.711 ( 0.000 -0.000 0.000) 0.000 14.196 ( 0.000 -0.000 0.000) 0.000 14.363 ( -0.000 0.000 0.000) 0.000 15.699 ( -0.000 0.000 0.000) 0.000 16.016 ( -0.000 0.000 0.000) 0.000 16.490 ( -0.000 0.000 0.000) 0.000 17.556 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 307 (143/172) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -3.743 -7.250 -9.945) 12.864 1.322 ( -10.942 -7.230 -12.692) 18.251 1.509 ( 1.059 -26.141 4.368) 26.525 1.565 ( 12.442 -2.960 5.426) 13.893 1.869 ( 6.052 -12.019 8.969) 16.172 2.198 ( 1.658 -21.891 0.962) 21.974 2.700 ( -4.077 -3.324 5.313) 7.476 2.785 ( 3.399 3.807 -12.015) 13.054 2.905 ( -0.879 -7.176 -1.838) 7.459 3.102 ( -0.659 1.861 -0.539) 2.047 3.243 ( -2.157 -10.582 -0.399) 10.807 3.506 ( 4.029 -1.934 4.705) 6.489 3.719 ( -0.846 -3.665 -0.800) 3.845 3.814 ( -0.885 -12.122 0.796) 12.180 4.314 ( -8.800 4.788 4.724) 11.076 4.442 ( 5.446 3.972 -0.890) 6.799 4.675 ( 3.442 -2.208 -1.361) 4.310 4.720 ( -2.436 -1.634 0.758) 3.029 4.804 ( 1.483 1.335 -1.345) 2.407 4.874 ( -0.292 -1.554 0.566) 1.679 5.091 ( -1.794 5.194 -0.876) 5.564 5.246 ( -2.023 2.401 3.816) 4.941 5.350 ( 1.507 -2.770 -1.995) 3.732 5.605 ( 1.685 -2.682 0.601) 3.224 5.818 ( -2.993 1.189 -0.470) 3.255 5.884 ( 0.866 3.616 -2.108) 4.275 5.976 ( 1.488 -3.423 2.686) 4.599 6.171 ( 1.345 -4.384 1.612) 4.861 6.283 ( -0.696 2.118 -1.777) 2.851 6.680 ( 0.133 1.065 -0.393) 1.143 6.933 ( -0.825 9.161 -1.011) 9.253 7.106 ( -0.133 4.466 0.947) 4.568 7.370 ( -4.060 -12.439 -0.542) 13.096 7.747 ( 3.613 5.976 0.399) 6.994 7.851 ( -1.930 5.780 -1.996) 6.412 7.938 ( -4.350 -0.911 0.107) 4.446 8.120 ( 3.247 -3.375 0.584) 4.719 8.173 ( 0.571 -1.826 -0.394) 1.953 8.292 ( -1.537 -0.215 0.566) 1.652 8.394 ( -0.642 -4.501 -0.979) 4.651 8.751 ( -1.633 -2.738 -5.021) 5.947 8.873 ( -1.239 3.373 7.501) 8.317 9.353 ( -2.713 -1.723 -1.241) 3.446 9.645 ( 5.274 2.569 -1.361) 6.023 10.059 ( -0.697 6.708 -0.674) 6.778 10.242 ( 0.795 3.544 0.460) 3.661 10.417 ( 0.206 7.282 -0.349) 7.293 10.760 ( 1.738 -7.957 0.849) 8.189 11.370 ( 0.343 -14.505 -1.166) 14.556 12.583 ( -1.964 -4.817 -0.642) 5.242 12.827 ( -3.314 -2.841 1.277) 4.549 12.893 ( -0.109 3.499 -0.325) 3.515 13.729 ( -0.783 -5.807 -0.065) 5.860 13.785 ( 4.459 -2.963 0.482) 5.376 14.135 ( -7.964 -0.073 -3.314) 8.626 14.364 ( 7.963 4.934 6.316) 11.297 15.694 ( 4.137 2.559 -4.711) 6.772 15.990 ( 0.338 3.218 4.152) 5.264 16.413 ( 0.185 7.828 -0.511) 7.846 17.482 ( -2.913 5.782 -1.893) 6.745 ======================= Grid point 308 (144/172) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 1.106 -10.610 -11.411) 15.621 1.340 ( -6.890 -4.413 -7.087) 10.825 1.775 ( 12.432 -8.072 6.584) 16.219 2.122 ( 1.509 -22.331 9.391) 24.273 2.142 ( 4.446 -21.106 0.451) 21.574 2.610 ( -3.798 1.364 0.506) 4.067 2.685 ( 1.779 -26.904 0.804) 26.975 2.914 ( 2.420 -8.272 -9.457) 12.795 2.995 ( -4.244 -1.516 -5.553) 7.152 3.115 ( 2.267 -5.859 1.385) 6.433 3.403 ( -4.638 -9.583 -0.862) 10.681 3.602 ( 4.108 -3.734 0.881) 5.620 3.788 ( -1.585 -5.370 0.864) 5.665 4.081 ( -3.306 -14.040 4.013) 14.972 4.150 ( -6.216 2.372 0.641) 6.684 4.455 ( 2.912 -1.450 3.529) 4.799 4.675 ( 3.288 1.654 0.437) 3.706 4.728 ( -0.454 0.839 0.057) 0.955 4.854 ( 2.352 -3.378 -0.741) 4.182 4.887 ( -1.426 -0.769 -0.113) 1.624 5.032 ( -2.124 -0.913 1.144) 2.580 5.191 ( 0.970 2.855 2.338) 3.815 5.323 ( -2.058 4.279 -0.755) 4.808 5.654 ( 2.735 1.750 -1.937) 3.781 5.770 ( 0.749 -0.589 -0.625) 1.140 5.881 ( 1.385 -0.931 0.255) 1.688 6.068 ( -2.572 -4.920 1.911) 5.871 6.152 ( -3.196 4.415 -5.169) 7.512 6.287 ( 4.047 -1.673 5.979) 7.411 6.667 ( 1.575 1.910 -2.548) 3.552 6.813 ( -0.693 2.982 -0.803) 3.165 7.018 ( 0.518 4.930 1.539) 5.190 7.446 ( -7.407 2.821 2.066) 8.191 7.673 ( 0.203 1.107 -2.106) 2.388 7.747 ( -2.222 1.890 0.541) 2.967 7.975 ( -1.724 -5.536 -4.165) 7.139 8.114 ( 1.001 3.912 1.622) 4.351 8.163 ( -1.065 1.556 1.572) 2.455 8.391 ( 2.459 -6.928 -1.377) 7.479 8.483 ( -2.481 -7.121 -2.202) 7.856 8.757 ( -2.964 0.337 -1.549) 3.361 8.849 ( 1.957 -1.099 5.388) 5.837 9.346 ( -4.764 -1.166 -1.592) 5.157 9.636 ( 6.912 4.505 -1.327) 8.356 9.907 ( 0.176 8.288 -0.554) 8.309 10.171 ( -0.014 4.781 -0.563) 4.814 10.273 ( 0.871 8.569 0.390) 8.622 10.983 ( 3.574 -13.538 1.231) 14.056 11.675 ( -1.438 -18.557 -2.611) 18.795 12.672 ( -3.339 -5.958 -2.515) 7.278 12.790 ( 0.390 0.375 3.582) 3.622 12.960 ( -6.090 -9.780 1.205) 11.584 13.731 ( -4.010 7.102 2.104) 8.423 13.840 ( 5.409 -2.804 -1.302) 6.230 14.136 ( 3.012 -0.499 -3.210) 4.430 14.325 ( 6.450 6.555 6.774) 11.422 15.651 ( 4.269 5.537 -10.635) 12.728 15.920 ( -0.710 4.922 9.240) 10.493 16.248 ( -0.317 9.109 -0.571) 9.132 17.333 ( -3.372 6.362 -2.553) 7.640 ======================= Grid point 309 (145/172) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -5.187 -2.122 -4.678) 7.300 1.414 ( 5.378 -8.900 -7.904) 13.062 2.049 ( 11.227 -10.106 5.685) 16.140 2.343 ( 0.941 -8.098 7.692) 11.208 2.489 ( 3.104 -4.913 -1.715) 6.059 2.774 ( -0.357 -17.810 -4.908) 18.477 2.881 ( -2.544 2.606 -1.947) 4.130 3.068 ( 0.041 -6.405 1.213) 6.519 3.167 ( -2.377 -21.803 -4.114) 22.314 3.236 ( 1.968 -3.371 1.787) 4.293 3.489 ( -6.124 -4.585 -1.708) 7.839 3.692 ( 0.165 -3.977 -7.100) 8.139 3.895 ( -3.338 -2.370 5.758) 7.065 3.994 ( -3.812 -4.035 0.080) 5.551 4.379 ( -1.183 -12.281 -0.255) 12.341 4.550 ( 0.080 -6.396 4.756) 7.971 4.670 ( -1.623 -0.480 2.123) 2.715 4.758 ( 6.251 -1.314 -0.195) 6.391 4.857 ( -1.916 1.797 0.482) 2.670 4.957 ( 2.866 -4.088 6.634) 8.303 5.067 ( -0.415 -3.915 0.956) 4.052 5.152 ( 1.012 2.227 -2.000) 3.159 5.263 ( -0.781 -0.927 -0.563) 1.337 5.579 ( 2.453 7.187 -1.621) 7.766 5.812 ( 1.004 -1.071 -2.006) 2.486 5.931 ( -1.695 -2.915 -4.282) 5.451 6.039 ( 2.095 1.648 -1.183) 2.916 6.148 ( -3.404 -4.208 1.641) 5.656 6.347 ( 6.525 1.205 5.092) 8.364 6.607 ( -0.382 4.338 -1.095) 4.490 6.789 ( -2.109 0.246 -1.210) 2.444 6.955 ( 1.880 2.744 1.071) 3.494 7.241 ( -6.745 9.658 3.852) 12.394 7.552 ( -4.548 6.892 -0.669) 8.284 7.843 ( -2.984 -7.668 -0.904) 8.278 7.961 ( 2.372 4.261 -3.267) 5.870 8.089 ( -1.093 1.610 -2.068) 2.840 8.199 ( 0.006 -7.891 2.453) 8.264 8.501 ( 0.037 -4.316 -2.423) 4.950 8.565 ( -1.901 -1.180 0.225) 2.249 8.767 ( 1.120 -5.276 0.850) 5.461 8.922 ( 1.617 -3.926 1.119) 4.391 9.313 ( -4.301 0.181 -1.236) 4.479 9.572 ( 3.815 7.622 -0.278) 8.527 9.800 ( 1.752 4.038 0.451) 4.425 10.074 ( -0.212 5.078 -3.112) 5.960 10.124 ( 0.439 8.780 2.053) 9.027 11.298 ( 4.967 -16.213 1.437) 17.018 11.984 ( -4.057 -18.024 -4.593) 19.038 12.678 ( 0.509 1.699 -0.269) 1.794 12.905 ( -4.735 -11.702 2.614) 12.891 13.069 ( -7.181 -6.361 2.343) 9.875 13.578 ( -6.344 1.592 2.705) 7.078 13.908 ( 12.020 3.777 -4.529) 13.388 14.094 ( 7.270 10.125 3.611) 12.977 14.272 ( 6.958 6.515 1.552) 9.658 15.547 ( 0.966 6.422 -12.823) 14.374 15.828 ( -3.193 4.310 10.915) 12.162 16.107 ( -0.372 5.724 -0.254) 5.742 17.209 ( -2.327 4.148 -1.977) 5.151 ======================= Grid point 310 (146/172) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -3.024 -0.436 -2.208) 3.769 1.563 ( 3.665 -3.695 -4.200) 6.688 2.328 ( 7.666 -8.210 4.023) 11.931 2.443 ( 1.896 -4.452 2.266) 5.343 2.634 ( 2.699 -7.393 3.268) 8.522 2.751 ( -3.382 3.769 -8.154) 9.598 2.978 ( 1.609 -1.173 -7.110) 7.383 3.183 ( -1.696 -5.695 8.871) 10.677 3.243 ( -0.734 2.205 2.022) 3.080 3.400 ( -6.086 0.195 0.106) 6.090 3.540 ( 2.000 -11.489 -1.235) 11.727 3.732 ( -0.423 -1.945 -8.384) 8.617 3.813 ( -7.591 -0.264 1.813) 7.809 4.231 ( 0.939 -13.427 -0.046) 13.460 4.504 ( -1.879 -3.910 -1.676) 4.651 4.625 ( -0.338 0.191 4.323) 4.340 4.693 ( -0.444 -2.373 3.128) 3.952 4.788 ( 1.209 0.713 0.785) 1.609 4.888 ( 2.049 -4.836 0.085) 5.253 5.002 ( -0.911 -1.228 1.980) 2.501 5.160 ( -0.826 -2.018 1.927) 2.910 5.189 ( 7.451 -2.054 3.038) 8.305 5.290 ( -1.910 -1.901 -4.863) 5.560 5.509 ( 2.115 -0.577 3.865) 4.444 5.792 ( -1.012 3.108 -6.945) 7.676 5.908 ( -1.458 1.060 -3.466) 3.907 6.091 ( 4.358 -0.324 0.451) 4.394 6.213 ( -1.254 -5.324 1.945) 5.805 6.370 ( 3.833 1.819 1.774) 4.599 6.541 ( 0.191 1.422 1.083) 1.798 6.717 ( -4.116 4.219 -1.768) 6.154 6.956 ( 1.902 0.030 0.673) 2.017 7.059 ( -4.325 4.212 3.774) 7.120 7.392 ( -3.691 6.046 -0.822) 7.131 7.801 ( 1.644 5.999 -1.038) 6.306 7.991 ( -2.251 -0.615 -0.839) 2.479 8.100 ( -1.301 -6.690 -2.037) 7.114 8.352 ( 0.803 -6.844 0.024) 6.891 8.505 ( -0.569 4.242 1.986) 4.718 8.555 ( -0.360 -1.427 -1.499) 2.101 8.935 ( 1.619 -9.460 -0.803) 9.631 9.003 ( 1.285 -3.113 0.502) 3.405 9.268 ( -2.818 1.383 -0.430) 3.168 9.455 ( 1.768 6.854 0.426) 7.091 9.772 ( 0.691 0.654 0.822) 1.257 9.965 ( 0.375 7.838 -0.996) 7.910 10.000 ( -0.318 3.072 -0.177) 3.094 11.623 ( 4.783 -13.352 1.380) 14.250 12.226 ( -5.370 -12.816 -5.331) 14.883 12.646 ( 0.232 2.339 -0.045) 2.350 12.989 ( -3.495 2.600 9.068) 10.060 13.113 ( -3.011 -7.790 -4.523) 9.497 13.628 ( -12.920 -13.887 2.634) 19.150 13.909 ( 15.665 8.251 -4.012) 18.155 13.957 ( 2.302 7.704 4.504) 9.216 14.180 ( 11.196 12.705 -0.982) 16.962 15.435 ( -1.729 3.429 -7.964) 8.842 15.747 ( -3.446 2.179 6.762) 7.897 16.030 ( -0.055 2.605 -0.057) 2.607 17.138 ( -1.096 1.892 -0.994) 2.402 ======================= Grid point 311 (147/172) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -0.000 0.000 0.000) 0.000 1.608 ( -0.000 0.000 0.000) 0.000 2.400 ( -0.000 0.000 0.000) 0.000 2.593 ( 0.000 -0.000 0.000) 0.000 2.658 ( -0.000 0.000 -0.000) 0.000 2.733 ( -0.000 0.000 0.000) 0.000 2.974 ( -0.000 0.000 -0.000) 0.000 3.180 ( -0.000 0.000 0.000) 0.000 3.228 ( -0.000 0.000 0.000) 0.000 3.355 ( -0.000 0.000 -0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 -0.000) 0.000 3.783 ( -0.000 0.000 0.000) 0.000 4.370 ( -0.000 0.000 0.000) 0.000 4.509 ( -0.000 0.000 0.000) 0.000 4.611 ( -0.000 0.000 0.000) 0.000 4.720 ( -0.000 0.000 0.000) 0.000 4.801 ( -0.000 0.000 0.000) 0.000 4.959 ( -0.000 0.000 0.000) 0.000 5.015 ( -0.000 0.000 0.000) 0.000 5.178 ( -0.000 0.000 0.000) 0.000 5.226 ( -0.000 0.000 -0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.623 ( -0.000 -0.000 0.000) 0.000 5.689 ( -0.000 0.000 -0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 6.106 ( -0.000 0.000 0.000) 0.000 6.279 ( -0.000 0.000 0.000) 0.000 6.352 ( -0.000 0.000 0.000) 0.000 6.579 ( -0.000 0.000 0.000) 0.000 6.608 ( -0.000 0.000 0.000) 0.000 6.957 ( -0.000 0.000 0.000) 0.000 7.025 ( -0.000 0.000 0.000) 0.000 7.308 ( -0.000 0.000 0.000) 0.000 7.747 ( -0.000 0.000 0.000) 0.000 7.975 ( -0.000 0.000 0.000) 0.000 8.180 ( -0.000 0.000 0.000) 0.000 8.419 ( -0.000 0.000 0.000) 0.000 8.457 ( -0.000 0.000 0.000) 0.000 8.560 ( -0.000 0.000 0.000) 0.000 9.027 ( -0.000 0.000 0.000) 0.000 9.074 ( -0.000 0.000 0.000) 0.000 9.222 ( 0.000 -0.000 0.000) 0.000 9.394 ( -0.000 0.000 0.000) 0.000 9.780 ( -0.000 0.000 0.000) 0.000 9.874 ( -0.000 0.000 0.000) 0.000 9.972 ( 0.000 0.000 -0.000) 0.000 11.787 ( -0.000 0.000 0.000) 0.000 12.318 ( 0.000 0.000 0.000) 0.000 12.614 ( -0.000 0.000 0.000) 0.000 12.939 ( -0.000 0.000 0.000) 0.000 13.179 ( -0.000 0.000 -0.000) 0.000 13.750 ( 0.000 0.000 0.000) 0.000 13.825 ( -0.000 -0.000 0.000) 0.000 14.000 ( -0.000 -0.000 0.000) 0.000 14.032 ( 0.000 0.000 0.000) 0.000 15.391 ( -0.000 0.000 0.000) 0.000 15.714 ( -0.000 0.000 -0.000) 0.000 16.007 ( -0.000 0.000 0.000) 0.000 17.116 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 318 (148/172) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -2.963 0.000 -12.993) 13.326 1.106 ( -8.033 0.000 -19.984) 21.538 1.258 ( 0.013 -0.000 1.742) 1.742 1.670 ( 7.548 -0.000 6.198) 9.767 1.864 ( 15.500 -0.000 15.497) 21.918 2.003 ( 3.248 -0.000 2.157) 3.899 2.648 ( 0.203 -0.000 -0.732) 0.759 2.805 ( -1.445 0.000 -2.277) 2.697 2.863 ( -2.560 0.000 -12.742) 12.997 3.039 ( -6.319 0.000 -3.549) 7.247 3.164 ( 2.387 -0.000 1.461) 2.799 3.563 ( 9.258 -0.000 12.304) 15.398 3.672 ( -2.255 0.000 -4.035) 4.623 3.681 ( -2.321 0.000 1.389) 2.705 4.293 ( -8.199 0.000 6.846) 10.681 4.546 ( -1.328 0.000 0.910) 1.610 4.582 ( 0.656 -0.000 -2.683) 2.762 4.754 ( 4.991 -0.000 -2.279) 5.486 4.819 ( -0.574 0.000 -1.673) 1.769 4.860 ( 0.313 -0.000 2.139) 2.162 5.160 ( -5.192 0.000 -0.908) 5.271 5.221 ( -1.170 0.000 6.430) 6.536 5.326 ( 3.575 -0.000 -3.513) 5.012 5.591 ( 1.810 -0.000 1.393) 2.284 5.832 ( 0.285 -0.000 2.570) 2.586 5.847 ( -3.673 0.000 -3.172) 4.853 6.054 ( -1.225 0.000 -0.245) 1.249 6.091 ( 4.856 -0.000 6.021) 7.735 6.313 ( 1.460 -0.000 -5.993) 6.168 6.686 ( -0.904 0.000 0.832) 1.228 7.028 ( -8.125 0.000 0.353) 8.133 7.155 ( -0.013 0.000 -0.748) 0.748 7.186 ( 0.234 -0.000 -1.455) 1.473 7.743 ( -2.711 0.000 -2.553) 3.724 7.936 ( -5.100 0.000 4.739) 6.962 8.006 ( 5.130 -0.000 0.258) 5.137 8.041 ( 3.172 -0.000 -6.793) 7.498 8.129 ( -2.075 0.000 1.560) 2.596 8.294 ( -2.879 0.000 1.454) 3.226 8.345 ( 0.315 -0.000 -0.917) 0.969 8.684 ( -5.600 0.000 -7.023) 8.983 8.904 ( -0.518 0.000 11.725) 11.737 9.315 ( -2.295 0.000 -2.564) 3.441 9.722 ( 7.407 -0.000 -2.835) 7.931 10.109 ( -1.608 0.000 -0.949) 1.867 10.295 ( 1.689 -0.000 0.892) 1.910 10.493 ( -0.077 0.000 -1.372) 1.374 10.707 ( 3.199 -0.000 2.243) 3.906 11.233 ( 2.052 -0.000 -2.454) 3.199 12.515 ( -3.536 0.000 -0.528) 3.575 12.739 ( -6.714 0.000 1.144) 6.811 12.952 ( -0.835 0.000 -1.439) 1.663 13.645 ( 1.057 -0.000 2.858) 3.047 13.819 ( 9.531 -0.000 -2.930) 9.971 14.044 ( -11.368 0.000 -0.040) 11.368 14.485 ( 7.373 -0.000 7.335) 10.400 15.763 ( 7.165 -0.000 -8.991) 11.497 16.038 ( 1.751 -0.000 8.271) 8.454 16.496 ( 0.788 -0.000 -0.830) 1.144 17.496 ( -5.758 0.000 -3.974) 6.997 ======================= Grid point 319 (149/172) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 1.331 -10.417 -13.680) 17.246 1.141 ( -4.536 -7.753 -14.660) 17.193 1.552 ( 3.866 -28.509 1.260) 28.798 1.794 ( 11.593 -4.642 5.888) 13.806 2.042 ( 9.158 -5.602 14.387) 17.950 2.247 ( 3.103 -20.114 2.015) 20.452 2.631 ( -4.325 2.485 3.546) 6.120 2.815 ( 3.735 -2.637 -17.730) 18.310 2.866 ( -2.821 -6.789 -4.743) 8.748 3.050 ( -5.890 -4.312 -2.554) 7.734 3.212 ( 0.480 -4.389 -0.225) 4.421 3.650 ( 3.846 -0.367 -3.436) 5.171 3.681 ( 2.763 -2.918 10.566) 11.304 3.785 ( -2.610 -12.241 2.311) 12.728 4.184 ( -7.348 4.962 4.904) 10.132 4.478 ( -0.743 1.892 1.830) 2.735 4.646 ( -5.177 -4.532 0.432) 6.894 4.787 ( 6.878 2.035 -1.116) 7.259 4.827 ( 2.381 -1.244 -3.378) 4.316 4.868 ( -0.736 -0.463 2.317) 2.475 5.034 ( -4.177 4.118 -0.969) 5.945 5.236 ( 0.438 0.941 4.791) 4.902 5.363 ( -0.127 0.073 -0.684) 0.700 5.651 ( 2.695 -3.138 0.882) 4.229 5.760 ( -3.101 2.498 0.143) 3.985 5.891 ( 0.454 -3.090 0.388) 3.147 6.008 ( 1.077 1.074 1.808) 2.363 6.202 ( -0.016 -0.139 -2.035) 2.040 6.259 ( -0.257 0.520 0.999) 1.155 6.686 ( 0.780 -0.461 -0.884) 1.266 6.899 ( -2.523 5.354 -2.215) 6.320 7.102 ( -0.823 3.865 2.715) 4.795 7.286 ( -4.149 -8.395 -2.278) 9.637 7.772 ( -2.734 -2.006 -1.479) 3.699 7.813 ( -4.450 10.584 -0.472) 11.491 7.864 ( -0.135 2.131 0.680) 2.241 8.127 ( -2.004 -1.579 2.048) 3.272 8.228 ( 3.796 0.852 -1.456) 4.154 8.260 ( -0.802 -6.790 -0.244) 6.841 8.373 ( -1.201 -2.663 -2.442) 3.807 8.660 ( -6.604 -4.087 -4.391) 8.922 8.904 ( 2.618 2.012 10.376) 10.888 9.296 ( -2.620 -0.363 -2.793) 3.847 9.761 ( 7.359 2.517 -3.203) 8.411 10.036 ( -1.348 5.785 -1.405) 6.104 10.266 ( 1.599 4.513 0.943) 4.879 10.421 ( 0.338 6.585 -1.148) 6.692 10.821 ( 4.796 -8.110 2.661) 9.791 11.377 ( 1.097 -12.533 -3.580) 13.080 12.522 ( -4.607 -4.809 -0.332) 6.668 12.719 ( -8.827 -4.546 1.532) 10.047 12.897 ( 0.597 3.607 -0.740) 3.731 13.756 ( 3.594 -7.929 1.426) 8.821 13.827 ( -2.036 5.800 2.598) 6.673 14.060 ( 3.208 -8.372 -3.113) 9.490 14.499 ( 4.645 5.085 6.901) 9.750 15.778 ( 6.604 3.998 -14.249) 16.206 16.030 ( 2.461 4.245 12.972) 13.869 16.418 ( 0.517 8.548 -0.806) 8.601 17.393 ( -5.701 4.403 -4.751) 8.629 ======================= Grid point 320 (150/172) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -4.633 -6.813 -7.744) 11.308 1.267 ( 8.997 -11.253 -11.223) 18.263 2.015 ( 12.886 -7.769 2.061) 15.187 2.180 ( 4.138 -27.513 5.535) 28.368 2.248 ( 5.315 -11.975 10.538) 16.813 2.549 ( -2.985 -0.247 0.868) 3.119 2.706 ( -0.404 -24.939 -1.886) 25.013 2.894 ( -4.846 0.203 -8.090) 9.433 2.931 ( 1.921 -6.903 -9.462) 11.869 3.126 ( -2.524 -8.470 0.251) 8.841 3.321 ( -2.014 -7.763 -2.192) 8.315 3.680 ( 0.953 -1.864 -5.383) 5.776 3.790 ( 4.884 -3.632 8.501) 10.456 3.987 ( -7.647 0.688 6.300) 9.932 4.074 ( -3.626 -12.083 -1.430) 12.696 4.482 ( -0.237 -2.221 3.513) 4.163 4.658 ( -2.984 -1.080 0.978) 3.320 4.807 ( 4.718 0.986 -0.270) 4.828 4.835 ( -2.500 0.115 -2.372) 3.448 4.909 ( 2.570 -3.947 6.333) 7.893 5.000 ( -1.584 -1.914 0.579) 2.551 5.233 ( 3.339 1.975 0.435) 3.904 5.278 ( -2.475 5.070 0.305) 5.650 5.688 ( 1.395 0.741 -3.491) 3.832 5.766 ( -1.122 -3.000 -0.299) 3.217 5.916 ( 1.231 2.996 -1.536) 3.585 6.025 ( -3.053 -3.504 2.819) 5.436 6.089 ( -0.951 1.679 -2.504) 3.161 6.375 ( 3.780 -4.404 6.563) 8.761 6.686 ( 0.927 2.550 -2.738) 3.854 6.800 ( -0.464 3.440 -1.995) 4.004 7.029 ( -0.007 3.665 3.435) 5.023 7.339 ( -4.992 2.178 1.000) 5.537 7.588 ( -8.001 4.769 -2.596) 9.669 7.698 ( -3.442 0.479 1.128) 3.654 7.985 ( 1.883 -8.770 -2.357) 9.275 8.115 ( -0.429 3.470 -0.310) 3.510 8.153 ( 0.145 3.800 1.937) 4.268 8.403 ( -1.944 -4.831 -3.021) 6.020 8.449 ( 0.450 -8.041 -2.532) 8.442 8.701 ( -3.057 -4.917 0.019) 5.790 8.910 ( 3.750 0.847 5.787) 6.948 9.274 ( -3.072 -0.162 -1.965) 3.650 9.736 ( 4.485 6.068 -2.542) 7.962 9.914 ( 1.109 6.296 -0.770) 6.440 10.172 ( 0.338 6.219 -0.141) 6.230 10.288 ( 0.684 8.248 -0.239) 8.280 11.073 ( 6.097 -13.575 2.789) 15.140 11.638 ( -1.494 -16.086 -5.124) 16.949 12.606 ( -4.301 -8.311 -0.384) 9.365 12.728 ( -8.414 -3.844 3.299) 9.821 12.886 ( -1.559 -3.445 -0.501) 3.814 13.665 ( -3.115 8.540 3.908) 9.895 13.952 ( 7.071 -6.850 1.048) 9.901 14.264 ( 11.032 -4.572 -1.138) 11.996 14.409 ( 1.599 6.876 3.395) 7.833 15.690 ( 3.363 8.289 -19.270) 21.245 15.948 ( 0.789 8.525 17.241) 19.250 16.237 ( -0.689 9.496 -1.023) 9.575 17.261 ( -3.561 4.523 -3.592) 6.785 ======================= Grid point 321 (151/172) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -1.013 -3.152 -5.458) 6.383 1.500 ( 5.783 -6.975 -6.747) 11.297 2.276 ( 12.758 -8.223 5.102) 16.013 2.379 ( 1.505 -4.387 5.143) 6.925 2.544 ( 2.631 -4.542 2.603) 5.859 2.740 ( -2.693 -7.306 -8.291) 11.374 2.843 ( -1.550 -13.400 -2.070) 13.647 3.007 ( -2.986 -5.896 -3.968) 7.709 3.144 ( -2.481 -15.598 -1.064) 15.830 3.226 ( -3.801 -6.463 3.323) 8.201 3.445 ( 3.031 -5.738 -2.636) 7.005 3.712 ( 3.319 0.286 -1.299) 3.575 3.796 ( -7.669 4.627 4.560) 10.050 3.989 ( 1.855 -11.946 -1.086) 12.138 4.324 ( -4.607 -13.080 -0.476) 13.876 4.553 ( -0.911 -5.317 2.745) 6.053 4.661 ( 0.057 -1.220 1.566) 1.986 4.815 ( -1.633 0.327 -0.662) 1.792 4.831 ( -0.574 -1.582 1.314) 2.135 4.987 ( 0.039 -0.511 5.699) 5.722 5.074 ( -1.118 -6.557 0.893) 6.712 5.182 ( 4.011 0.058 4.860) 6.301 5.285 ( 3.943 -0.786 -4.494) 6.030 5.609 ( 0.844 7.471 -0.992) 7.584 5.786 ( -1.879 -0.814 -6.511) 6.825 5.886 ( -1.332 -1.709 -3.192) 3.858 6.069 ( -5.780 -4.332 2.314) 7.585 6.148 ( 7.909 -2.695 2.121) 8.620 6.446 ( 3.308 1.112 4.887) 6.005 6.600 ( -0.450 4.994 -0.762) 5.072 6.751 ( -1.709 2.411 -2.898) 4.139 6.991 ( 1.792 1.583 2.525) 3.478 7.152 ( -3.873 9.565 4.109) 11.107 7.445 ( -6.994 4.495 -1.422) 8.435 7.797 ( -2.351 -10.828 -0.320) 11.085 7.981 ( 0.397 8.840 -3.016) 9.349 8.066 ( -0.824 0.867 -2.905) 3.141 8.207 ( 0.406 -8.389 2.029) 8.641 8.472 ( -2.397 -4.890 -2.439) 5.967 8.550 ( 0.181 -1.828 0.823) 2.013 8.796 ( 1.409 -7.000 0.127) 7.142 8.959 ( 2.558 -2.552 1.531) 3.924 9.247 ( -3.064 -0.011 -0.617) 3.126 9.620 ( 1.818 8.575 -0.961) 8.818 9.834 ( 1.839 4.401 -0.022) 4.770 10.067 ( 0.034 5.021 -0.944) 5.109 10.131 ( 0.115 9.375 0.035) 9.376 11.402 ( 6.099 -15.606 2.999) 17.021 11.908 ( -2.611 -16.157 -6.872) 17.751 12.679 ( -0.764 0.397 -0.703) 1.111 12.781 ( -9.706 -12.310 4.994) 16.452 12.970 ( -5.223 -7.947 -0.593) 9.529 13.499 ( -2.578 6.738 4.283) 8.390 14.044 ( 2.670 4.094 0.084) 4.888 14.266 ( 11.661 8.555 7.638) 16.355 14.455 ( 14.620 1.171 -5.872) 15.799 15.509 ( -1.431 9.124 -20.070) 22.093 15.786 ( -5.208 7.674 17.147) 19.494 16.099 ( -0.309 5.149 -0.602) 5.193 17.169 ( -1.511 2.858 -1.817) 3.708 ======================= Grid point 322 (152/172) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 2.071 -1.270 -2.848) 3.743 1.597 ( 1.018 -1.551 -2.306) 2.959 2.406 ( 2.064 -0.245 0.965) 2.291 2.553 ( 7.250 -7.638 5.930) 12.086 2.657 ( -1.353 -3.899 -3.326) 5.301 2.683 ( -1.640 1.094 -3.497) 4.014 3.006 ( 2.629 1.242 -3.247) 4.359 3.103 ( -6.906 -8.015 -0.447) 10.589 3.161 ( -6.170 -1.438 0.751) 6.380 3.389 ( 2.359 -2.407 2.584) 4.247 3.612 ( 3.886 -7.250 -2.105) 8.491 3.709 ( -2.883 -2.312 -1.590) 4.023 3.760 ( 4.119 -3.228 5.823) 7.829 4.245 ( 1.025 -12.089 -2.229) 12.335 4.443 ( -3.994 -5.303 -2.603) 7.131 4.609 ( -2.601 -0.884 1.329) 3.051 4.704 ( 0.788 -2.647 1.345) 3.072 4.796 ( -0.097 0.604 1.146) 1.299 4.879 ( -3.211 -5.099 2.863) 6.671 5.012 ( 1.165 -1.567 2.555) 3.216 5.120 ( -4.365 -2.739 0.209) 5.158 5.229 ( -0.559 1.486 -5.787) 6.001 5.358 ( 8.098 0.464 4.052) 9.067 5.554 ( 1.642 -2.850 3.961) 5.149 5.741 ( -1.376 3.364 -7.274) 8.131 5.903 ( -0.665 -1.038 -1.647) 2.058 6.090 ( -2.377 -0.993 1.344) 2.905 6.253 ( 3.230 -2.487 0.497) 4.107 6.404 ( 0.778 4.915 1.278) 5.138 6.562 ( 0.408 -1.021 0.436) 1.183 6.659 ( -0.719 4.567 -2.673) 5.340 6.978 ( 0.202 2.353 3.841) 4.509 7.036 ( 0.534 1.271 2.684) 3.018 7.326 ( -3.264 2.573 -1.518) 4.425 7.810 ( -0.422 7.202 -1.644) 7.400 7.962 ( -0.912 -4.025 1.021) 4.251 8.070 ( -1.432 -5.841 -3.297) 6.859 8.351 ( -0.731 -6.440 -0.145) 6.483 8.501 ( -0.733 0.924 1.756) 2.115 8.554 ( 0.849 0.292 -0.411) 0.987 8.958 ( 0.804 -8.013 -0.961) 8.111 9.031 ( 2.100 -2.728 0.038) 3.443 9.222 ( -2.377 0.185 0.356) 2.410 9.481 ( 1.237 7.435 -0.140) 7.539 9.785 ( 0.604 1.667 0.188) 1.783 9.964 ( -0.534 7.973 0.823) 8.033 9.995 ( 0.087 2.927 -1.443) 3.265 11.699 ( 2.818 -10.446 2.568) 11.120 12.164 ( 0.731 -13.885 -7.028) 15.579 12.636 ( -1.429 2.219 0.264) 2.652 12.939 ( -5.855 -9.492 7.901) 13.667 13.042 ( -3.620 -4.132 -3.489) 6.508 13.423 ( -9.781 -4.685 2.766) 11.193 13.928 ( -2.918 4.531 1.079) 5.496 14.208 ( 15.953 14.397 6.445) 22.435 14.453 ( 19.650 15.941 -8.293) 26.628 15.353 ( -5.485 0.979 -10.444) 11.838 15.676 ( -6.933 -0.421 9.286) 11.596 16.030 ( 0.066 2.521 -0.270) 2.536 17.125 ( -0.174 1.111 -0.468) 1.218 ======================= Grid point 323 (153/172) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 4.060 -0.657 -1.321) 4.320 1.587 ( -2.369 1.655 1.988) 3.507 2.410 ( 0.888 2.838 -0.685) 3.052 2.516 ( -4.793 8.064 -3.087) 9.875 2.686 ( 0.033 -1.105 -1.975) 2.264 2.728 ( -0.218 -2.145 6.305) 6.664 2.985 ( 0.778 1.741 2.538) 3.175 3.156 ( -4.852 -4.472 -1.257) 6.718 3.191 ( 0.454 -4.050 -7.188) 8.263 3.430 ( 7.078 -0.043 1.731) 7.287 3.647 ( -2.321 0.787 -3.299) 4.110 3.737 ( -0.428 -1.414 6.904) 7.060 3.928 ( 10.732 -0.733 4.040) 11.491 4.378 ( 1.020 0.693 -0.905) 1.530 4.485 ( -1.970 -5.477 -3.203) 6.644 4.573 ( -3.870 0.421 -1.559) 4.194 4.739 ( 1.961 0.927 -1.472) 2.621 4.796 ( -0.439 0.376 1.790) 1.881 4.908 ( -4.229 -0.269 4.199) 5.966 5.041 ( 0.201 2.093 -2.170) 3.021 5.096 ( -6.748 -2.948 -2.938) 7.928 5.193 ( 0.434 1.132 -3.493) 3.697 5.367 ( 4.298 3.176 7.231) 8.992 5.563 ( -3.117 5.373 -7.666) 9.867 5.739 ( 3.021 -3.741 6.081) 7.752 5.913 ( 0.799 -0.757 2.261) 2.515 6.070 ( -1.689 1.031 -0.578) 2.062 6.256 ( -3.437 1.579 -3.893) 5.428 6.357 ( 0.867 1.253 2.233) 2.704 6.535 ( -1.721 1.257 -2.431) 3.233 6.688 ( 5.627 -3.300 0.344) 6.532 6.951 ( -1.511 0.917 2.075) 2.726 7.045 ( 2.580 -0.950 0.276) 2.764 7.323 ( 1.667 -3.256 -0.885) 3.764 7.725 ( -2.258 0.056 -0.294) 2.278 7.987 ( 1.008 -0.877 1.536) 2.036 8.180 ( 0.354 -3.001 -2.307) 3.801 8.400 ( -2.409 -0.376 2.054) 3.188 8.466 ( 1.070 1.667 -0.407) 2.022 8.563 ( 0.360 -0.722 -0.038) 0.808 9.023 ( -0.379 0.588 -0.138) 0.713 9.071 ( -0.264 3.170 0.252) 3.191 9.223 ( 0.084 -3.688 -0.056) 3.690 9.397 ( 0.418 1.940 -0.451) 2.035 9.781 ( 0.059 0.470 0.162) 0.501 9.877 ( 0.389 -0.209 -0.803) 0.916 9.966 ( -0.774 -0.266 0.702) 1.078 11.763 ( -2.384 4.348 0.450) 4.979 12.382 ( 6.896 -4.244 -2.092) 8.363 12.614 ( -0.188 -0.956 0.990) 1.389 12.950 ( 1.251 1.896 -0.528) 2.332 13.131 ( -4.833 -7.725 0.886) 9.156 13.493 ( -17.110 -14.154 2.590) 22.356 13.891 ( -1.119 -0.769 3.404) 3.665 14.051 ( 7.576 11.402 0.665) 13.705 14.209 ( 14.084 23.723 -7.165) 28.504 15.365 ( -2.596 -5.395 -0.852) 6.048 15.694 ( -2.317 -4.486 1.473) 5.260 16.007 ( 0.029 0.016 -0.276) 0.278 17.123 ( 0.665 -0.646 0.392) 1.007 ======================= Grid point 324 (154/172) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 3.372 -0.037 -1.923) 3.882 1.509 ( -2.885 4.566 6.538) 8.481 2.192 ( -5.630 13.555 -3.226) 15.028 2.447 ( 1.692 2.209 -0.565) 2.839 2.572 ( -3.337 8.338 -2.478) 9.316 2.819 ( 2.502 -4.502 5.744) 7.715 2.985 ( 0.272 1.670 10.210) 10.349 3.135 ( -2.657 4.293 -15.821) 16.607 3.206 ( -2.991 -1.421 0.293) 3.324 3.514 ( 3.351 8.219 -0.414) 8.885 3.568 ( 4.960 0.435 0.798) 5.043 3.781 ( 2.293 -0.772 8.794) 9.121 3.949 ( 7.118 4.480 1.519) 8.547 4.215 ( -0.395 14.587 -1.751) 14.697 4.494 ( -3.243 3.246 -0.421) 4.608 4.618 ( 0.631 -3.661 -5.078) 6.292 4.716 ( 1.646 2.562 -0.417) 3.074 4.752 ( -1.089 2.758 -1.988) 3.570 4.853 ( -1.470 2.290 2.709) 3.839 4.969 ( -5.214 1.541 -4.931) 7.340 5.099 ( -1.269 0.442 1.903) 2.329 5.156 ( -0.770 1.976 -1.856) 2.818 5.330 ( 1.482 4.661 1.045) 5.001 5.478 ( -0.860 -1.221 -0.397) 1.545 5.793 ( -0.967 -0.943 1.951) 2.373 5.979 ( 2.547 -3.751 6.318) 7.777 6.015 ( -1.362 3.515 0.743) 3.843 6.197 ( -3.763 0.311 -6.427) 7.454 6.313 ( -1.028 3.667 1.175) 3.986 6.548 ( 0.728 -2.928 -1.282) 3.278 6.791 ( 4.028 -2.699 0.296) 4.858 6.914 ( -2.816 0.551 0.617) 2.935 7.147 ( 5.611 -6.175 -2.235) 8.638 7.444 ( 1.979 -7.368 0.150) 7.631 7.767 ( -2.163 -6.302 0.997) 6.737 8.032 ( 1.758 -2.085 1.459) 3.093 8.127 ( 1.705 8.158 0.252) 8.338 8.323 ( -2.196 5.896 -0.537) 6.314 8.516 ( 0.819 -5.100 -0.681) 5.210 8.563 ( 0.144 1.866 1.119) 2.181 8.919 ( -0.349 9.831 1.140) 9.903 8.979 ( -1.256 3.650 -1.030) 3.995 9.317 ( 2.540 -3.587 1.023) 4.513 9.420 ( -1.957 -4.963 -1.046) 5.437 9.760 ( -0.445 0.706 -0.800) 1.156 9.959 ( -0.522 -6.993 1.276) 7.128 10.004 ( 0.190 -4.200 -0.313) 4.216 11.549 ( -3.170 14.564 -0.460) 14.912 12.340 ( 5.822 14.597 3.446) 16.089 12.626 ( -1.747 -2.060 -0.746) 2.802 13.063 ( 7.456 -6.900 -8.813) 13.449 13.142 ( -0.232 4.039 4.265) 5.878 13.606 ( -17.933 -13.528 5.517) 23.130 13.811 ( 7.672 14.649 0.754) 16.553 13.938 ( 0.362 3.214 -2.894) 4.340 14.078 ( -2.086 -7.261 -3.041) 8.144 15.457 ( -0.285 -5.252 3.943) 6.574 15.772 ( 1.021 -4.227 -3.016) 5.292 16.031 ( 0.055 -2.792 -0.159) 2.797 17.162 ( 1.180 -2.711 0.871) 3.083 ======================= Grid point 325 (155/172) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -1.693 5.524 1.491) 5.967 1.438 ( 2.729 2.816 4.496) 5.966 1.899 ( -4.368 13.238 -2.812) 14.221 2.316 ( -0.369 11.903 -4.460) 12.716 2.455 ( -1.240 4.138 2.150) 4.826 2.795 ( 0.850 18.204 3.068) 18.480 2.920 ( 1.160 -2.587 0.478) 2.875 3.028 ( -1.873 5.307 -3.260) 6.504 3.182 ( -1.607 3.466 1.174) 3.997 3.232 ( 1.498 19.685 0.553) 19.750 3.582 ( 2.980 6.052 0.510) 6.765 3.726 ( 1.550 9.062 6.532) 11.278 3.890 ( -0.994 6.276 -4.161) 7.595 4.096 ( 5.400 -3.403 -0.435) 6.398 4.363 ( -2.234 9.074 -0.263) 9.349 4.535 ( -0.253 10.528 -3.949) 11.247 4.653 ( -3.065 2.648 0.406) 4.071 4.721 ( 2.339 -0.557 0.487) 2.453 4.871 ( -1.250 -0.531 -0.924) 1.643 4.893 ( -1.267 0.197 -1.188) 1.748 5.085 ( 1.045 2.108 -0.898) 2.518 5.131 ( -1.064 -1.338 0.708) 1.850 5.291 ( 1.429 -0.253 -0.084) 1.454 5.547 ( -1.295 -5.825 1.261) 6.099 5.778 ( -1.893 1.256 0.180) 2.279 5.935 ( -0.212 3.873 0.374) 3.897 6.092 ( 4.483 -4.098 5.850) 8.433 6.172 ( -0.641 0.169 -3.978) 4.033 6.231 ( -4.318 1.743 -2.111) 5.113 6.615 ( 0.266 -3.142 0.436) 3.184 6.824 ( 1.442 1.786 0.184) 2.303 6.925 ( -1.253 -4.151 -0.171) 4.339 7.334 ( 3.712 -9.551 -1.835) 10.410 7.595 ( 0.654 -7.259 0.099) 7.289 7.891 ( 1.381 -2.920 1.225) 3.454 7.938 ( -0.413 6.935 1.271) 7.062 8.107 ( 0.480 -2.471 0.827) 2.649 8.191 ( -0.346 6.247 -1.559) 6.448 8.488 ( -1.098 5.588 0.866) 5.761 8.598 ( 1.353 -0.415 -0.125) 1.421 8.763 ( 0.380 4.900 0.192) 4.919 8.896 ( -0.946 4.014 -0.691) 4.181 9.396 ( 4.851 -1.455 1.287) 5.225 9.494 ( -4.885 -5.173 -0.692) 7.149 9.778 ( -0.675 -4.292 -0.236) 4.351 10.088 ( 0.440 -5.518 3.821) 6.726 10.108 ( -0.602 -8.070 -3.373) 8.767 11.235 ( -1.842 16.431 -0.404) 16.539 12.047 ( 1.879 19.843 1.698) 20.004 12.671 ( -0.221 -3.611 0.085) 3.619 12.937 ( 0.338 12.573 -0.724) 12.599 13.196 ( 6.314 7.059 -2.773) 9.868 13.652 ( 0.296 -4.506 0.748) 4.577 13.734 ( -5.494 -5.489 2.284) 8.095 14.011 ( -1.886 -8.646 0.219) 8.852 14.185 ( -2.649 -5.368 -3.135) 6.758 15.547 ( -0.755 -4.549 4.197) 6.235 15.848 ( 1.029 -3.573 -3.440) 5.065 16.111 ( 0.148 -6.021 0.040) 6.023 17.245 ( 1.188 -5.233 0.866) 5.436 ======================= Grid point 326 (156/172) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.000 7.355 0.000) 7.355 1.422 ( -0.000 0.351 -0.000) 0.351 1.636 ( 0.000 12.934 0.000) 12.934 2.080 ( -0.000 13.081 0.000) 13.081 2.116 ( 0.000 32.291 -0.000) 32.291 2.650 ( -0.000 -3.076 0.000) 3.076 2.666 ( -0.000 27.079 0.000) 27.079 2.898 ( -0.000 10.261 0.000) 10.261 3.060 ( -0.000 -1.496 0.000) 1.496 3.069 ( 0.000 8.584 0.000) 8.584 3.438 ( -0.000 9.029 0.000) 9.029 3.580 ( -0.000 7.772 0.000) 7.772 3.796 ( -0.000 4.118 0.000) 4.118 4.099 ( -0.000 17.300 0.000) 17.300 4.237 ( -0.000 -7.494 0.000) 7.494 4.395 ( -0.000 2.725 0.000) 2.725 4.635 ( -0.000 -1.490 0.000) 1.490 4.756 ( -0.000 -1.946 0.000) 1.946 4.819 ( -0.000 3.861 0.000) 3.861 4.901 ( 0.000 0.757 0.000) 0.757 5.053 ( -0.000 0.440 0.000) 0.440 5.183 ( 0.000 -4.171 0.000) 4.171 5.342 ( -0.000 -2.801 0.000) 2.801 5.627 ( -0.000 -1.430 0.000) 1.430 5.760 ( -0.000 -2.829 0.000) 2.829 5.872 ( -0.000 2.968 0.000) 2.968 6.094 ( -0.000 6.909 0.000) 6.909 6.182 ( -0.000 -1.955 0.000) 1.955 6.243 ( -0.000 -3.531 0.000) 3.531 6.655 ( -0.000 -1.428 0.000) 1.428 6.821 ( -0.000 -2.494 0.000) 2.494 7.011 ( -0.000 -5.406 0.000) 5.406 7.543 ( -0.000 -11.353 0.000) 11.353 7.629 ( 0.000 10.400 0.000) 10.400 7.766 ( -0.000 -2.361 0.000) 2.361 8.050 ( -0.000 6.297 -0.000) 6.297 8.061 ( 0.000 -6.946 0.000) 6.946 8.171 ( -0.000 -1.309 0.000) 1.309 8.366 ( 0.000 6.396 0.000) 6.396 8.511 ( -0.000 7.432 0.000) 7.432 8.793 ( -0.000 -4.678 0.000) 4.678 8.821 ( -0.000 3.784 0.000) 3.784 9.413 ( -0.000 2.471 0.000) 2.471 9.552 ( 0.000 -4.696 0.000) 4.696 9.906 ( -0.000 -9.095 0.000) 9.095 10.172 ( 0.000 -3.896 0.000) 3.896 10.264 ( -0.000 -8.916 0.000) 8.916 10.950 ( -0.000 13.502 0.000) 13.502 11.691 ( 0.000 19.600 0.000) 19.600 12.726 ( -0.000 9.813 -0.000) 9.813 12.754 ( 0.000 -5.405 0.000) 5.405 13.021 ( -0.000 11.001 0.000) 11.001 13.758 ( -0.000 -1.748 0.000) 1.748 13.796 ( 0.000 -3.306 -0.000) 3.306 14.177 ( -0.000 -9.226 0.000) 9.226 14.198 ( 0.000 1.173 0.000) 1.173 15.621 ( -0.000 -3.837 0.000) 3.837 15.918 ( -0.000 -3.994 -0.000) 3.994 16.251 ( -0.000 -8.968 0.000) 8.968 17.368 ( -0.000 -7.261 0.000) 7.261 ======================= Grid point 330 (157/172) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -4.628 0.000 -16.940) 17.561 1.093 ( 11.349 -0.000 -14.623) 18.510 1.323 ( 6.468 -0.000 3.522) 7.365 1.816 ( 7.451 -0.000 6.148) 9.659 2.078 ( 4.162 -0.000 2.580) 4.897 2.126 ( 10.792 -0.000 11.627) 15.864 2.635 ( -1.722 0.000 2.489) 3.026 2.753 ( -3.715 0.000 -4.613) 5.923 2.818 ( 1.577 -0.000 -16.402) 16.477 2.895 ( -8.926 0.000 -3.381) 9.545 3.229 ( 5.112 -0.000 1.191) 5.249 3.575 ( -6.462 0.000 -10.351) 12.202 3.626 ( -4.317 0.000 2.281) 4.882 3.821 ( 15.733 -0.000 16.839) 23.045 4.187 ( -5.457 0.000 5.002) 7.403 4.507 ( -3.630 0.000 0.859) 3.731 4.515 ( -5.292 0.000 -2.117) 5.700 4.801 ( -0.939 0.000 -2.624) 2.787 4.850 ( -0.353 0.000 3.380) 3.398 4.891 ( 7.000 -0.000 -1.677) 7.198 5.050 ( -6.874 0.000 -0.628) 6.902 5.245 ( 2.478 -0.000 4.678) 5.294 5.359 ( 0.280 -0.000 -1.077) 1.113 5.629 ( 2.011 -0.000 1.792) 2.694 5.801 ( -1.137 0.000 -0.041) 1.138 5.844 ( -0.359 0.000 6.388) 6.398 6.031 ( -1.269 0.000 0.418) 1.336 6.164 ( 1.924 -0.000 3.863) 4.315 6.291 ( -2.469 0.000 -9.189) 9.514 6.678 ( -0.087 0.000 1.658) 1.660 6.904 ( -4.614 0.000 -2.002) 5.029 7.141 ( -1.816 0.000 0.799) 1.984 7.168 ( -2.038 0.000 -2.552) 3.266 7.721 ( 1.179 -0.000 -2.516) 2.779 7.818 ( -9.707 0.000 3.265) 10.241 8.027 ( -3.976 0.000 -0.859) 4.068 8.075 ( -1.085 0.000 1.972) 2.251 8.104 ( 2.556 -0.000 -0.542) 2.613 8.281 ( 1.910 -0.000 -0.971) 2.143 8.350 ( 0.567 -0.000 -0.996) 1.146 8.545 ( -7.518 0.000 -4.628) 8.829 8.964 ( 3.923 -0.000 10.644) 11.344 9.275 ( -1.421 0.000 -3.330) 3.620 9.840 ( 6.306 -0.000 -3.957) 7.444 10.075 ( -1.551 0.000 -1.259) 1.998 10.331 ( 2.037 -0.000 1.018) 2.277 10.486 ( -0.348 0.000 -2.455) 2.479 10.792 ( 5.614 -0.000 4.317) 7.082 11.273 ( 3.389 -0.000 -4.860) 5.925 12.431 ( -6.071 0.000 0.954) 6.146 12.598 ( -8.909 0.000 -0.169) 8.911 12.939 ( -0.157 0.000 -1.621) 1.628 13.707 ( 4.658 -0.000 3.614) 5.896 13.884 ( -6.599 0.000 2.714) 7.135 13.987 ( 10.186 -0.000 -3.304) 10.708 14.579 ( 0.937 -0.000 5.930) 6.004 15.859 ( 6.783 -0.000 -14.937) 16.405 16.115 ( 3.795 -0.000 13.349) 13.878 16.514 ( 1.338 -0.000 0.187) 1.351 17.375 ( -6.025 0.000 -6.114) 8.584 ======================= Grid point 331 (158/172) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -4.631 -15.122 -11.968) 19.833 1.229 ( 15.317 -3.415 -10.592) 18.933 1.652 ( 7.418 -25.726 1.845) 26.838 1.984 ( 9.324 -9.116 4.464) 13.783 2.211 ( 6.684 -4.006 9.601) 12.365 2.293 ( 1.196 -14.838 1.846) 15.000 2.586 ( -1.416 2.918 3.074) 4.469 2.779 ( -4.827 -5.445 -8.201) 10.964 2.842 ( 2.255 -3.809 -10.282) 11.194 2.913 ( -8.342 -8.568 -1.714) 12.081 3.264 ( 4.934 0.345 -0.615) 4.984 3.561 ( -3.808 -5.225 -9.611) 11.584 3.706 ( -4.905 -11.783 2.527) 13.011 3.938 ( 11.307 2.687 13.057) 17.480 4.088 ( -2.536 6.783 2.074) 7.533 4.451 ( -2.173 -0.524 2.309) 3.214 4.549 ( -5.787 -5.085 -0.606) 7.728 4.814 ( -0.197 -1.647 -4.253) 4.565 4.855 ( -1.277 -0.111 2.640) 2.935 4.910 ( 1.833 2.241 2.680) 3.945 4.969 ( -1.514 0.357 0.036) 1.556 5.285 ( 3.651 0.268 3.425) 5.013 5.337 ( -1.689 2.227 -1.298) 3.082 5.684 ( 1.205 -1.827 -0.826) 2.339 5.721 ( -1.731 2.297 2.970) 4.134 5.894 ( -1.877 -3.513 2.796) 4.866 6.024 ( 1.037 0.473 2.357) 2.618 6.141 ( -3.534 6.104 -7.121) 10.023 6.292 ( 1.297 -6.608 4.615) 8.163 6.697 ( 0.348 -0.874 -0.138) 0.951 6.855 ( -1.178 2.401 -4.608) 5.328 7.084 ( -2.446 2.775 4.623) 5.921 7.218 ( -3.392 -6.667 -3.269) 8.163 7.659 ( -11.508 7.294 0.863) 13.652 7.734 ( -0.405 3.358 -1.000) 3.527 7.894 ( 1.548 0.478 2.307) 2.819 8.093 ( -2.170 -2.437 2.077) 3.868 8.244 ( 1.153 -1.035 0.194) 1.562 8.298 ( 1.717 -4.497 -2.916) 5.628 8.346 ( -0.429 -0.564 -3.736) 3.803 8.546 ( -5.247 -6.326 -1.700) 8.393 8.993 ( 4.843 2.063 8.662) 10.136 9.257 ( -1.268 0.453 -2.943) 3.236 9.852 ( 3.494 3.221 -3.664) 6.001 10.021 ( 0.497 4.414 -1.411) 4.660 10.294 ( 1.349 5.485 0.921) 5.723 10.421 ( 0.053 5.697 -1.873) 5.997 10.929 ( 6.375 -8.312 4.524) 11.411 11.392 ( 2.013 -9.742 -5.963) 11.598 12.424 ( -7.308 -5.286 2.611) 9.390 12.563 ( -8.253 -4.115 -1.209) 9.301 12.906 ( 0.492 2.719 -0.808) 2.879 13.787 ( -0.938 5.704 3.633) 6.827 13.845 ( 5.411 -8.884 3.708) 11.044 14.177 ( 8.678 -10.081 -3.822) 13.840 14.530 ( -2.748 4.807 4.227) 6.966 15.842 ( 5.041 6.205 -15.480) 17.422 16.119 ( 3.660 4.682 13.192) 14.469 16.428 ( 0.655 9.978 0.444) 10.009 17.293 ( -4.017 2.885 -5.204) 7.179 ======================= Grid point 332 (159/172) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -2.085 -9.927 -6.874) 12.253 1.434 ( 11.618 -5.856 -8.188) 15.372 2.200 ( 8.447 -18.013 -0.638) 19.905 2.295 ( 7.385 -16.627 5.383) 18.973 2.343 ( 2.642 -10.317 6.120) 12.284 2.535 ( 1.243 -0.259 7.285) 7.395 2.627 ( -6.576 -14.310 -9.241) 18.260 2.824 ( -1.679 -9.107 -7.488) 11.909 2.946 ( 1.245 -5.165 -1.101) 5.426 3.028 ( -7.377 -10.089 0.360) 12.504 3.347 ( 4.285 -5.989 -2.648) 7.825 3.665 ( 1.302 -7.736 -4.370) 8.980 3.856 ( -6.622 3.881 4.056) 8.681 3.918 ( -0.124 -3.708 0.548) 3.751 4.041 ( 3.695 -5.315 4.781) 8.048 4.472 ( -1.589 -2.747 1.968) 3.734 4.603 ( -3.274 -5.111 0.181) 6.072 4.794 ( -1.662 1.997 -0.170) 2.604 4.814 ( -3.066 0.169 -2.797) 4.154 4.971 ( 0.426 -3.012 2.669) 4.047 4.989 ( 1.235 -2.805 5.239) 6.069 5.251 ( 0.047 3.335 3.621) 4.923 5.320 ( 6.273 0.988 -1.346) 6.491 5.673 ( -1.993 0.397 -4.989) 5.387 5.751 ( 0.281 -1.914 -1.980) 2.769 5.886 ( -3.347 2.287 -1.902) 4.478 5.958 ( -4.656 0.566 2.350) 5.246 6.146 ( 5.401 -4.213 2.248) 7.209 6.434 ( 1.374 -5.441 5.361) 7.761 6.674 ( -1.895 3.343 -1.532) 4.137 6.788 ( -0.014 3.186 -4.042) 5.146 7.032 ( -0.689 1.577 5.547) 5.808 7.284 ( -1.901 1.370 0.262) 2.357 7.431 ( -8.836 4.487 -2.110) 10.132 7.646 ( -2.382 0.327 1.323) 2.744 8.001 ( 1.042 -6.536 -1.283) 6.742 8.100 ( -1.193 0.997 0.306) 1.585 8.185 ( 2.168 6.170 0.151) 6.541 8.344 ( -2.995 -5.159 -2.939) 6.650 8.465 ( 1.632 -7.199 -2.018) 7.653 8.651 ( -2.945 -8.637 0.072) 9.126 8.998 ( 4.700 2.363 5.086) 7.318 9.231 ( -1.521 0.678 -1.615) 2.320 9.771 ( 0.630 6.798 -2.462) 7.257 9.944 ( 2.245 5.366 -1.167) 5.933 10.183 ( 0.784 7.071 0.731) 7.151 10.293 ( 0.064 8.162 -1.099) 8.236 11.191 ( 6.108 -13.412 4.509) 15.412 11.613 ( 0.575 -13.802 -7.268) 15.610 12.494 ( -9.973 -9.604 4.965) 14.709 12.595 ( -5.356 -5.894 -2.354) 8.305 12.871 ( -0.676 0.668 -0.475) 1.063 13.668 ( 2.572 8.774 4.754) 10.305 14.067 ( 4.841 -6.264 3.640) 8.713 14.397 ( -1.987 -0.097 -3.185) 3.755 14.469 ( 11.259 -7.488 2.006) 13.669 15.678 ( 0.325 12.118 -17.213) 21.053 16.016 ( 2.430 13.121 15.404) 20.380 16.219 ( -1.047 9.817 -1.770) 10.030 17.208 ( -1.744 3.035 -2.832) 4.503 ======================= Grid point 333 (160/172) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 1.541 -5.137 -4.421) 6.950 1.573 ( 4.106 -2.434 -4.162) 6.333 2.413 ( 1.451 -2.068 2.131) 3.305 2.485 ( 9.321 -7.612 5.600) 13.273 2.563 ( -1.551 -4.069 -0.793) 4.426 2.664 ( -1.954 -2.450 -10.988) 11.426 2.799 ( -2.217 -18.681 0.620) 18.822 3.028 ( 3.813 -2.846 2.089) 5.196 3.045 ( -6.403 -6.946 1.818) 9.620 3.180 ( -2.375 -16.315 -0.196) 16.488 3.535 ( 6.543 -9.736 -3.881) 12.355 3.674 ( -6.360 5.806 0.546) 8.629 3.800 ( 5.335 -0.557 6.528) 8.449 4.023 ( 1.872 -10.150 -3.643) 10.946 4.246 ( -3.385 -12.079 1.090) 12.591 4.523 ( -2.896 -4.340 0.728) 5.268 4.669 ( -0.095 -3.291 -0.901) 3.414 4.768 ( -3.839 -1.052 -1.476) 4.245 4.786 ( -2.943 -2.346 2.752) 4.662 4.992 ( -0.717 -0.566 -0.151) 0.926 5.056 ( -0.759 -1.968 4.634) 5.092 5.262 ( 3.279 1.388 0.684) 3.626 5.381 ( 6.856 -3.627 3.522) 8.518 5.599 ( -0.347 3.873 -6.082) 7.218 5.763 ( 0.385 0.554 -3.098) 3.170 5.846 ( -3.202 -0.350 -3.636) 4.858 5.983 ( -4.235 -6.846 4.184) 9.073 6.268 ( 4.748 -2.015 1.452) 5.358 6.491 ( 1.281 1.181 3.487) 3.898 6.573 ( -2.664 3.496 0.057) 4.396 6.727 ( 0.300 3.473 -3.022) 4.614 7.028 ( 1.715 0.587 3.378) 3.834 7.131 ( 0.014 8.979 2.755) 9.392 7.324 ( -6.247 2.274 -1.626) 6.844 7.755 ( -2.397 -12.330 -0.378) 12.566 7.974 ( 0.068 9.749 -1.927) 9.938 8.050 ( -0.373 1.452 -2.425) 2.851 8.216 ( -0.156 -7.092 1.384) 7.228 8.425 ( -2.111 -5.449 -1.356) 5.999 8.573 ( 2.072 -2.289 0.965) 3.235 8.800 ( -0.814 -9.453 -1.058) 9.547 9.016 ( 3.289 -0.525 1.292) 3.573 9.206 ( -1.633 0.419 0.152) 1.693 9.635 ( 0.365 8.024 -0.929) 8.086 9.857 ( 0.946 5.223 -0.725) 5.357 10.073 ( 0.523 5.720 1.389) 5.909 10.128 ( -0.256 9.445 -1.615) 9.586 11.498 ( 3.496 -14.146 4.076) 15.132 11.889 ( 2.871 -16.134 -8.037) 18.252 12.576 ( -11.424 -7.716 4.752) 14.582 12.688 ( -1.287 -8.044 -0.380) 8.155 12.878 ( -4.823 -4.520 -1.227) 6.723 13.522 ( 3.596 10.881 4.562) 12.334 14.018 ( -4.418 7.696 0.207) 8.876 14.504 ( 12.497 -2.568 8.092) 15.107 14.712 ( 15.786 -3.333 -5.318) 16.988 15.404 ( -5.473 11.729 -21.140) 24.788 15.726 ( -5.797 15.362 16.206) 23.070 16.095 ( -0.012 4.492 -0.531) 4.523 17.151 ( -0.342 1.976 -0.965) 2.225 ======================= Grid point 334 (161/172) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 3.251 -2.488 -2.820) 4.971 1.595 ( -0.547 0.847 0.096) 1.013 2.441 ( 1.792 -0.130 0.026) 1.796 2.611 ( -0.352 0.199 -11.872) 11.879 2.641 ( -2.001 -1.435 15.999) 16.187 2.661 ( 1.103 -2.322 -5.388) 5.970 2.979 ( -5.183 -7.673 1.689) 9.412 3.056 ( 2.626 -0.997 -5.983) 6.610 3.107 ( -0.826 -2.232 3.215) 4.000 3.434 ( 1.680 -8.860 1.757) 9.187 3.589 ( -2.777 -1.082 -2.721) 4.036 3.743 ( 4.402 -0.089 1.468) 4.641 3.880 ( 5.776 -10.870 5.022) 13.295 4.256 ( 0.808 -11.326 -2.859) 11.709 4.383 ( -1.548 -5.640 -1.340) 6.000 4.539 ( -5.150 -0.895 0.033) 5.228 4.723 ( 1.143 -3.171 -1.177) 3.570 4.800 ( 0.501 -1.869 0.387) 1.973 4.827 ( -2.991 -3.962 4.784) 6.895 4.988 ( -5.314 -1.771 -1.986) 5.943 5.063 ( -0.329 0.550 2.010) 2.109 5.220 ( 0.238 2.458 -3.707) 4.454 5.494 ( 6.025 3.872 4.530) 8.474 5.578 ( 0.979 -1.861 -1.126) 2.386 5.732 ( 0.243 0.540 2.085) 2.168 5.849 ( -3.248 -3.839 -7.492) 9.023 6.084 ( 0.267 -3.382 4.995) 6.039 6.259 ( -1.269 3.169 -2.240) 4.083 6.428 ( 0.821 5.636 1.853) 5.989 6.531 ( -2.382 0.475 -1.793) 3.019 6.703 ( 4.671 -0.183 -0.533) 4.705 6.982 ( -0.940 4.008 2.994) 5.090 7.065 ( 1.726 1.179 1.748) 2.724 7.280 ( -1.677 -2.326 -1.331) 3.162 7.785 ( -1.574 8.194 -1.495) 8.477 7.968 ( 0.994 -7.184 2.977) 7.840 8.038 ( -1.351 -4.391 -4.042) 6.120 8.331 ( -1.367 -5.124 0.193) 5.307 8.489 ( -0.704 -2.840 0.591) 2.985 8.578 ( 1.523 2.822 0.421) 3.234 8.959 ( -0.207 -7.505 -0.796) 7.550 9.070 ( 2.138 -2.004 -0.501) 2.973 9.189 ( -1.639 -0.063 0.858) 1.851 9.497 ( 0.669 7.182 -0.240) 7.218 9.793 ( 0.265 1.843 -0.304) 1.886 9.954 ( -0.669 7.285 1.219) 7.416 9.996 ( 0.196 4.063 -1.228) 4.249 11.722 ( -0.323 -7.265 1.948) 7.528 12.231 ( 8.132 -16.392 -6.816) 19.527 12.584 ( -5.613 -1.946 2.710) 6.530 12.848 ( -4.523 -11.184 5.047) 13.077 12.948 ( -6.078 -7.935 -3.108) 10.467 13.346 ( -0.533 9.568 2.371) 9.872 13.871 ( -3.233 2.904 0.009) 4.346 14.486 ( 13.303 19.677 9.442) 25.560 14.761 ( 17.318 17.674 -11.094) 27.118 15.207 ( -8.594 -3.267 -8.129) 12.272 15.556 ( -8.460 -4.074 7.906) 12.275 16.032 ( 0.148 2.567 -0.114) 2.574 17.127 ( 0.286 0.580 -0.040) 0.648 ======================= Grid point 335 (162/172) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 2.298 -0.694 -2.077) 3.174 1.554 ( -1.487 2.383 2.415) 3.705 2.405 ( -0.948 11.822 -1.464) 11.950 2.472 ( -0.085 1.281 0.243) 1.307 2.664 ( -0.777 2.645 -2.869) 3.979 2.746 ( 0.113 -6.397 4.996) 8.118 3.005 ( 0.587 3.101 2.882) 4.274 3.070 ( -2.866 -5.265 -4.459) 7.471 3.195 ( 0.491 -2.627 -1.552) 3.090 3.548 ( 4.834 -1.948 2.110) 5.623 3.606 ( -1.766 -1.508 -3.169) 3.928 3.751 ( 0.396 -1.726 3.431) 3.860 4.093 ( 5.682 -0.588 2.933) 6.421 4.400 ( 1.653 3.310 -1.080) 3.854 4.446 ( -1.325 -10.450 -2.530) 10.833 4.494 ( -3.928 0.935 0.117) 4.039 4.774 ( 1.855 0.761 -0.683) 2.118 4.808 ( 2.344 1.522 -0.546) 2.847 4.858 ( -2.473 -0.951 6.484) 7.005 4.926 ( -7.017 0.988 -6.542) 9.644 5.077 ( 0.396 -1.533 0.961) 1.852 5.189 ( -0.096 1.481 -1.460) 2.082 5.436 ( 1.962 5.562 4.878) 7.653 5.511 ( -1.307 4.801 -4.930) 7.004 5.803 ( 2.524 -0.310 4.498) 5.167 5.891 ( -2.157 -5.513 -2.943) 6.611 6.090 ( 2.463 3.114 5.259) 6.590 6.174 ( -3.761 2.737 -5.651) 7.319 6.372 ( 0.261 1.938 1.437) 2.427 6.511 ( -0.598 -0.942 -1.594) 1.946 6.776 ( 3.754 -2.463 -0.196) 4.494 6.916 ( -2.321 1.948 1.247) 3.277 7.096 ( 2.159 -3.148 0.288) 3.828 7.348 ( 0.988 -4.610 -0.518) 4.743 7.685 ( -1.611 0.181 -0.093) 1.623 8.006 ( 0.527 -1.011 1.113) 1.594 8.186 ( 0.769 -5.692 -2.012) 6.085 8.360 ( -1.978 0.443 1.388) 2.457 8.483 ( 0.677 2.349 -0.013) 2.445 8.569 ( 0.222 -1.255 -0.015) 1.275 9.017 ( -0.233 1.034 -0.045) 1.061 9.068 ( -0.100 4.909 0.098) 4.911 9.223 ( -0.065 -5.685 -0.031) 5.685 9.404 ( 0.314 3.047 -0.266) 3.075 9.782 ( 0.024 0.736 0.096) 0.743 9.882 ( 0.322 -0.404 -0.620) 0.806 9.954 ( -0.557 -0.355 0.558) 0.865 11.728 ( -1.242 5.980 0.233) 6.112 12.509 ( 6.958 -3.741 -2.680) 8.343 12.603 ( -1.893 -1.526 1.877) 3.072 12.977 ( 2.006 -5.579 -1.974) 6.249 13.050 ( -4.170 -9.261 2.974) 10.583 13.262 ( -8.274 -6.258 0.445) 10.384 13.878 ( -0.575 -4.690 0.944) 4.819 14.161 ( 3.703 20.710 1.329) 21.080 14.386 ( 6.429 28.161 -3.801) 29.135 15.319 ( -1.788 -9.683 -0.337) 9.852 15.657 ( -1.637 -8.283 0.833) 8.484 16.007 ( 0.050 0.109 -0.119) 0.169 17.135 ( 0.402 -1.088 0.237) 1.184 ======================= Grid point 336 (163/172) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.000 1.694 0.000) 1.694 1.503 ( 0.000 2.732 -0.000) 2.732 2.139 ( -0.000 14.755 0.000) 14.755 2.473 ( -0.000 0.194 0.000) 0.194 2.529 ( -0.000 10.659 0.000) 10.659 2.850 ( 0.000 -4.733 0.000) 4.733 3.018 ( -0.000 -2.715 -0.000) 2.715 3.071 ( -0.000 8.598 0.000) 8.598 3.176 ( 0.000 -0.854 0.000) 0.854 3.534 ( -0.000 9.770 0.000) 9.770 3.627 ( -0.000 -2.189 0.000) 2.189 3.818 ( -0.000 -3.014 0.000) 3.014 4.018 ( -0.000 8.534 0.000) 8.534 4.217 ( 0.000 13.842 0.000) 13.842 4.444 ( -0.000 2.942 0.000) 2.942 4.622 ( 0.000 -5.850 -0.000) 5.850 4.706 ( -0.000 4.682 0.000) 4.682 4.779 ( 0.000 5.383 0.000) 5.383 4.865 ( 0.000 -0.520 0.000) 0.520 4.867 ( -0.000 0.389 -0.000) 0.389 5.100 ( -0.000 -0.556 0.000) 0.556 5.143 ( -0.000 2.719 0.000) 2.719 5.344 ( -0.000 4.798 0.000) 4.798 5.472 ( -0.000 -1.431 0.000) 1.431 5.786 ( 0.000 1.097 0.000) 1.097 5.970 ( 0.000 -1.407 0.000) 1.407 6.079 ( -0.000 -1.190 0.000) 1.190 6.112 ( 0.000 0.747 0.000) 0.747 6.311 ( -0.000 5.052 0.000) 5.052 6.553 ( -0.000 -3.527 0.000) 3.527 6.845 ( 0.000 -3.441 0.000) 3.441 6.872 ( -0.000 1.916 0.000) 1.916 7.202 ( -0.000 -6.757 0.000) 6.757 7.459 ( 0.000 -7.276 0.000) 7.276 7.747 ( -0.000 -6.877 0.000) 6.877 8.049 ( -0.000 -3.230 0.000) 3.230 8.149 ( -0.000 9.128 0.000) 9.128 8.296 ( 0.000 5.017 0.000) 5.017 8.523 ( -0.000 -5.361 0.000) 5.361 8.565 ( 0.000 2.426 0.000) 2.426 8.922 ( 0.000 9.686 0.000) 9.686 8.963 ( -0.000 3.771 -0.000) 3.771 9.348 ( -0.000 -6.711 -0.000) 6.711 9.394 ( 0.000 -1.893 0.000) 1.893 9.755 ( -0.000 1.350 0.000) 1.350 9.956 ( -0.000 -6.724 0.000) 6.724 10.005 ( 0.000 -4.625 -0.000) 4.625 11.520 ( 0.000 14.868 0.000) 14.868 12.404 ( 0.000 17.318 0.000) 17.318 12.603 ( -0.000 -3.558 0.000) 3.558 13.113 ( -0.000 3.155 0.000) 3.155 13.195 ( 0.000 -9.606 -0.000) 9.606 13.401 ( 0.000 -14.079 0.000) 14.079 13.892 ( -0.000 15.173 0.000) 15.173 13.930 ( -0.000 3.519 0.000) 3.519 14.061 ( -0.000 -2.559 0.000) 2.559 15.457 ( -0.000 -5.998 0.000) 5.998 15.776 ( 0.000 -5.141 -0.000) 5.141 16.032 ( -0.000 -2.857 0.000) 2.857 17.174 ( -0.000 -3.086 0.000) 3.086 ======================= Grid point 342 (164/172) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -6.956 0.000 -16.561) 17.963 1.356 ( 18.999 -0.000 -8.816) 20.945 1.480 ( 10.164 -0.000 4.494) 11.113 1.952 ( 7.100 -0.000 4.101) 8.199 2.140 ( 2.296 -0.000 1.550) 2.770 2.278 ( 4.815 -0.000 5.398) 7.234 2.629 ( 0.838 -0.000 4.856) 4.927 2.660 ( -5.360 0.000 -6.607) 8.508 2.734 ( -8.896 0.000 -1.148) 8.970 2.818 ( 0.238 -0.000 -7.390) 7.394 3.350 ( 8.330 -0.000 1.755) 8.513 3.451 ( -3.543 0.000 -12.937) 13.413 3.550 ( -4.740 0.000 1.914) 5.112 4.009 ( -2.826 0.000 4.038) 4.928 4.251 ( 16.088 -0.000 9.584) 18.727 4.421 ( -6.436 0.000 0.185) 6.439 4.434 ( -3.067 0.000 -1.819) 3.566 4.779 ( -0.755 0.000 -2.616) 2.723 4.830 ( -2.093 0.000 3.012) 3.668 4.934 ( -6.145 0.000 0.090) 6.146 4.971 ( 1.050 -0.000 2.292) 2.521 5.280 ( -2.000 0.000 1.601) 2.562 5.385 ( 6.598 -0.000 -2.253) 6.972 5.664 ( 1.676 -0.000 1.335) 2.143 5.806 ( 1.101 -0.000 2.721) 2.935 5.812 ( -5.732 0.000 7.350) 9.321 6.025 ( 0.191 -0.000 2.182) 2.190 6.173 ( -1.233 0.000 0.428) 1.305 6.206 ( -4.471 0.000 -7.443) 8.682 6.692 ( 1.058 -0.000 2.190) 2.432 6.864 ( 0.235 -0.000 -7.249) 7.253 7.090 ( -4.845 0.000 5.317) 7.193 7.109 ( -3.732 0.000 -3.018) 4.800 7.618 ( -12.857 0.000 1.527) 12.948 7.768 ( 4.385 -0.000 -1.573) 4.659 7.982 ( -0.495 0.000 5.120) 5.144 8.029 ( -3.319 0.000 2.368) 4.077 8.161 ( 2.839 -0.000 -1.626) 3.272 8.309 ( 0.223 -0.000 -3.411) 3.418 8.360 ( 0.807 -0.000 -0.595) 1.003 8.432 ( -3.813 0.000 -3.373) 5.091 9.066 ( 4.982 -0.000 8.728) 10.050 9.252 ( -0.490 0.000 -3.179) 3.216 9.901 ( 1.531 -0.000 -3.082) 3.442 10.068 ( 1.185 -0.000 -1.712) 2.082 10.362 ( 1.280 -0.000 0.856) 1.539 10.472 ( -0.552 0.000 -2.866) 2.919 10.909 ( 6.357 -0.000 5.742) 8.566 11.323 ( 3.732 -0.000 -6.754) 7.716 12.310 ( -8.499 0.000 3.571) 9.218 12.462 ( -5.952 0.000 -2.487) 6.450 12.937 ( 0.090 -0.000 -1.164) 1.167 13.802 ( 4.934 -0.000 3.378) 5.980 13.847 ( 1.582 -0.000 3.946) 4.251 14.141 ( 8.098 -0.000 -2.881) 8.595 14.533 ( -7.109 0.000 2.004) 7.386 15.940 ( 6.143 -0.000 -12.073) 13.546 16.200 ( 2.709 -0.000 9.180) 9.572 16.539 ( 1.098 -0.000 2.417) 2.654 17.282 ( -3.018 0.000 -5.425) 6.208 ======================= Grid point 343 (165/172) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -5.883 -18.355 -10.643) 22.018 1.489 ( 14.839 -0.412 -6.164) 16.074 1.806 ( 9.234 -21.999 2.638) 24.004 2.140 ( 7.885 -11.700 2.202) 14.280 2.276 ( -1.213 -13.028 -0.582) 13.097 2.317 ( 2.309 -0.823 3.420) 4.208 2.593 ( 0.207 2.351 7.689) 8.043 2.674 ( -4.685 -5.439 -9.930) 12.252 2.781 ( -5.960 -9.062 1.626) 10.967 2.840 ( -0.964 -4.889 -3.194) 5.919 3.348 ( 4.431 1.827 -3.817) 6.127 3.543 ( 4.183 -6.918 -5.051) 9.533 3.625 ( -4.715 -11.749 2.359) 12.878 3.925 ( -6.408 4.712 0.085) 7.955 4.248 ( 9.416 9.172 4.152) 13.785 4.421 ( -2.785 -1.333 -1.250) 3.331 4.475 ( 0.095 -4.647 3.909) 6.074 4.778 ( -2.921 -0.093 -3.462) 4.530 4.838 ( -1.706 2.614 0.428) 3.151 4.890 ( -0.826 -5.060 1.387) 5.312 4.975 ( -0.809 -0.726 5.332) 5.442 5.265 ( -3.004 -0.320 0.932) 3.162 5.423 ( 8.318 2.662 -0.703) 8.762 5.692 ( -0.355 2.837 1.044) 3.044 5.716 ( 0.347 -1.302 2.447) 2.794 5.823 ( -5.495 -0.184 -0.455) 5.517 6.034 ( -2.397 5.338 0.458) 5.869 6.099 ( 1.086 -3.693 -1.744) 4.226 6.300 ( -1.212 -8.929 2.748) 9.420 6.698 ( -0.202 1.056 0.447) 1.164 6.836 ( 0.273 2.283 -8.717) 9.015 7.041 ( -3.754 0.646 8.700) 9.497 7.150 ( -3.575 -7.309 -2.892) 8.635 7.463 ( -10.021 5.199 0.374) 11.295 7.759 ( 2.852 7.225 0.782) 7.807 7.932 ( 2.089 -1.208 3.153) 3.971 8.068 ( -0.968 -2.894 1.226) 3.288 8.250 ( -3.327 -1.161 -1.719) 3.921 8.286 ( 1.662 -2.402 -2.248) 3.686 8.362 ( 1.719 -1.079 -3.095) 3.701 8.475 ( -2.811 -6.680 -0.182) 7.249 9.095 ( 4.594 2.304 6.783) 8.510 9.236 ( -0.519 0.888 -2.702) 2.891 9.868 ( -0.219 3.879 -2.203) 4.467 10.046 ( 2.100 3.505 -1.873) 4.495 10.316 ( 0.938 5.768 1.056) 5.938 10.414 ( -0.322 5.086 -2.094) 5.509 11.046 ( 5.489 -8.124 5.409) 11.197 11.420 ( 2.859 -7.842 -7.124) 10.974 12.284 ( -9.077 -4.766 4.132) 11.054 12.453 ( -4.074 -3.973 -2.584) 6.250 12.909 ( 0.030 2.562 -0.584) 2.628 13.835 ( 5.263 4.911 4.431) 8.453 13.944 ( 4.830 -9.752 3.484) 11.427 14.295 ( 4.616 -8.311 -4.962) 10.724 14.439 ( -7.046 0.829 2.021) 7.377 15.891 ( 3.831 9.365 -10.059) 14.268 16.195 ( 2.374 3.672 7.104) 8.342 16.440 ( 0.412 11.530 1.841) 11.683 17.237 ( -1.470 2.004 -3.550) 4.333 ======================= Grid point 344 (166/172) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -1.922 -13.875 -4.966) 14.862 1.593 ( 7.607 -0.397 -4.325) 8.760 2.309 ( 3.461 -22.092 2.422) 22.492 2.368 ( 0.470 -3.797 1.313) 4.045 2.431 ( 6.612 -9.756 0.082) 11.786 2.503 ( -3.110 -11.422 -10.187) 15.618 2.614 ( 3.344 -3.605 13.904) 14.748 2.763 ( -3.155 -12.571 -7.662) 15.056 2.905 ( -6.135 -9.736 0.455) 11.516 2.973 ( 0.990 -7.786 1.780) 8.048 3.420 ( 4.232 -6.391 -2.519) 8.069 3.720 ( 4.311 -7.650 -6.595) 10.982 3.748 ( -5.138 5.569 6.401) 9.919 3.851 ( -4.429 -13.669 -0.391) 14.374 4.175 ( 6.852 5.804 3.272) 9.558 4.438 ( -1.871 -2.855 -0.736) 3.492 4.551 ( -3.246 -5.379 0.929) 6.351 4.726 ( -4.668 0.798 -1.974) 5.131 4.778 ( -0.701 2.012 -0.059) 2.131 4.959 ( -0.817 -2.634 -0.415) 2.788 5.027 ( 1.006 -2.335 4.083) 4.810 5.295 ( 3.619 -3.334 5.036) 7.041 5.425 ( 4.463 3.670 1.616) 6.000 5.621 ( -1.458 2.819 -8.885) 9.435 5.759 ( 0.818 -1.478 -1.368) 2.174 5.819 ( -3.777 -5.631 2.163) 7.118 5.891 ( -3.436 5.933 0.554) 6.878 6.232 ( 3.394 -5.919 1.751) 7.044 6.446 ( -0.729 -6.589 3.239) 7.378 6.625 ( -2.756 4.791 -1.670) 5.774 6.788 ( 1.010 2.696 -3.261) 4.350 7.033 ( -0.693 -0.964 5.674) 5.797 7.255 ( -1.770 -1.638 0.498) 2.462 7.297 ( -5.451 2.631 -2.751) 6.648 7.634 ( 0.341 4.316 1.636) 4.628 8.030 ( 2.511 -4.480 -0.737) 5.188 8.081 ( -0.956 0.286 0.100) 1.003 8.182 ( -2.575 4.829 -0.751) 5.524 8.318 ( 0.574 -3.268 -0.952) 3.452 8.497 ( 2.499 -8.014 -1.795) 8.585 8.598 ( -3.268 -9.664 0.459) 10.212 9.081 ( 3.401 3.318 3.195) 5.726 9.210 ( -0.668 1.001 -1.067) 1.608 9.765 ( -0.480 6.449 -1.319) 6.600 9.973 ( 1.286 5.931 -1.211) 6.188 10.201 ( 0.967 7.143 1.252) 7.316 10.287 ( -0.398 8.202 -1.365) 8.325 11.283 ( 3.048 -12.527 4.151) 13.544 11.633 ( 3.312 -13.610 -6.583) 15.477 12.325 ( -9.255 -7.712 4.075) 12.717 12.527 ( -2.324 -7.422 -1.939) 8.016 12.858 ( -0.585 2.445 -0.273) 2.529 13.764 ( 6.629 9.336 4.184) 12.190 14.097 ( -2.765 3.028 2.140) 4.625 14.360 ( -0.511 -12.622 -2.685) 12.914 14.640 ( 7.333 -14.681 1.027) 16.443 15.641 ( -0.738 17.985 -9.722) 20.458 16.086 ( 2.204 17.118 9.944) 19.919 16.194 ( -1.248 8.817 -2.994) 9.395 17.186 ( -0.403 2.277 -1.371) 2.688 ======================= Grid point 345 (167/172) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.510 -7.657 -2.048) 7.942 1.619 ( 1.652 1.300 -1.105) 2.375 2.431 ( 0.409 -2.267 0.260) 2.318 2.500 ( -2.575 -5.606 -0.457) 6.186 2.624 ( 4.258 -5.181 1.370) 6.844 2.644 ( 1.276 -3.016 -5.703) 6.576 2.772 ( -1.986 -10.335 2.554) 10.829 2.971 ( -1.611 -6.777 1.652) 7.160 3.100 ( 2.054 -4.764 2.816) 5.903 3.139 ( -1.495 -20.223 -1.884) 20.366 3.577 ( -1.742 1.994 -2.861) 3.898 3.635 ( 2.337 -10.353 0.687) 10.635 3.892 ( 2.620 1.990 4.561) 5.624 4.021 ( -0.408 -13.357 -3.183) 13.737 4.238 ( 1.254 -7.949 1.216) 8.139 4.471 ( -2.403 -2.017 -0.287) 3.150 4.624 ( -3.139 -6.401 -1.144) 7.221 4.731 ( -0.065 -4.462 -0.876) 4.548 4.759 ( -0.932 -0.836 1.628) 2.053 4.973 ( -0.866 1.060 -0.062) 1.370 5.061 ( 0.112 -0.915 1.870) 2.085 5.295 ( 0.848 6.152 -0.751) 6.256 5.494 ( 3.623 -7.636 5.658) 10.171 5.598 ( 1.814 0.064 -5.481) 5.774 5.752 ( -2.408 3.931 -3.627) 5.866 5.780 ( -1.354 0.186 0.655) 1.516 5.949 ( -0.967 -9.136 2.127) 9.430 6.315 ( 0.960 0.607 0.240) 1.161 6.505 ( -0.140 0.510 1.272) 1.378 6.529 ( -1.692 2.258 -0.048) 2.822 6.749 ( 1.732 2.092 -0.837) 2.842 7.058 ( 0.809 0.951 1.918) 2.288 7.142 ( 0.454 6.010 0.877) 6.090 7.236 ( -3.040 2.610 -1.132) 4.163 7.722 ( -1.083 -12.100 -0.097) 12.149 7.980 ( 0.609 10.314 -0.759) 10.360 8.042 ( -0.171 1.674 -0.914) 1.915 8.206 ( -0.745 -7.274 0.575) 7.335 8.400 ( -0.570 -5.107 -0.421) 5.156 8.611 ( 1.559 -1.866 0.551) 2.493 8.777 ( -1.082 -11.460 -0.707) 11.533 9.063 ( 1.516 0.475 0.342) 1.625 9.189 ( -0.497 0.813 0.299) 0.999 9.634 ( -0.058 7.316 -0.366) 7.325 9.865 ( 0.194 5.780 -0.473) 5.803 10.089 ( 0.676 6.296 2.051) 6.656 10.116 ( -0.501 9.455 -2.000) 9.677 11.535 ( 0.454 -12.482 1.799) 12.619 11.957 ( 4.729 -18.507 -4.378) 19.597 12.405 ( -7.414 -8.289 3.141) 11.556 12.673 ( -0.387 -9.922 -0.496) 9.942 12.816 ( -1.866 0.642 -0.464) 2.027 13.606 ( 3.780 13.688 2.485) 14.416 13.934 ( -3.918 6.881 -0.700) 7.949 14.684 ( 5.602 -15.492 3.405) 16.822 14.954 ( 11.527 -7.226 2.571) 13.845 15.240 ( -7.964 17.966 -13.630) 23.917 15.672 ( -2.851 24.011 6.765) 25.108 16.095 ( 0.055 4.113 -0.169) 4.117 17.148 ( 0.035 1.567 -0.258) 1.589 ======================= Grid point 346 (168/172) ======================= q-point: ( 0.70 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -0.000 -3.366 0.000) 3.366 1.590 ( -0.000 2.133 0.000) 2.133 2.458 ( -0.000 -0.600 0.000) 0.600 2.608 ( 0.000 7.240 -0.001) 7.240 2.610 ( -0.000 -7.547 0.001) 7.547 2.675 ( -0.000 -0.222 0.000) 0.222 2.933 ( -0.000 -7.865 0.000) 7.865 3.082 ( 0.000 -7.545 -0.000) 7.545 3.105 ( -0.000 4.442 0.000) 4.442 3.449 ( -0.000 -12.512 -0.000) 12.512 3.560 ( -0.000 -1.520 0.000) 1.520 3.797 ( -0.000 5.906 0.000) 5.906 3.932 ( -0.000 -16.801 0.000) 16.801 4.260 ( -0.000 -10.576 0.000) 10.576 4.383 ( -0.000 -5.775 0.000) 5.775 4.477 ( -0.000 -0.455 0.000) 0.455 4.733 ( 0.000 -5.775 -0.000) 5.775 4.789 ( -0.000 -2.757 0.000) 2.757 4.832 ( 0.000 -4.297 -0.000) 4.297 4.914 ( -0.000 3.325 -0.000) 3.325 5.068 ( 0.000 0.071 0.000) 0.071 5.217 ( -0.000 2.447 0.000) 2.447 5.560 ( -0.000 4.887 -0.000) 4.887 5.587 ( 0.000 3.809 0.000) 3.809 5.734 ( -0.000 -7.204 0.000) 7.204 5.808 ( -0.000 -2.440 -0.000) 2.440 6.095 ( -0.000 -5.664 0.000) 5.664 6.240 ( -0.000 6.028 0.000) 6.028 6.435 ( -0.000 5.441 0.000) 5.441 6.505 ( -0.000 0.562 -0.000) 0.562 6.756 ( -0.000 -1.515 0.000) 1.515 6.970 ( -0.000 5.381 0.000) 5.381 7.086 ( 0.000 1.355 0.000) 1.355 7.263 ( -0.000 -5.058 0.000) 5.058 7.767 ( -0.000 8.371 0.000) 8.371 7.992 ( -0.000 -12.984 -0.000) 12.984 8.012 ( -0.000 1.162 0.000) 1.162 8.317 ( -0.000 -4.467 0.000) 4.467 8.483 ( -0.000 -3.902 0.000) 3.902 8.594 ( -0.000 3.609 0.000) 3.609 8.955 ( -0.000 -7.707 0.000) 7.707 9.091 ( -0.000 -1.622 0.000) 1.622 9.174 ( -0.000 0.145 0.000) 0.145 9.503 ( -0.000 6.914 0.000) 6.914 9.794 ( -0.000 1.720 0.000) 1.720 9.950 ( -0.000 7.219 0.000) 7.219 9.996 ( -0.000 4.461 -0.000) 4.461 11.718 ( -0.000 -6.287 0.000) 6.287 12.342 ( -0.000 -19.750 0.000) 19.750 12.490 ( 0.000 -4.349 -0.000) 4.349 12.828 ( 0.000 -4.916 0.000) 4.916 12.874 ( -0.000 -11.109 0.000) 11.109 13.355 ( -0.000 14.172 0.000) 14.172 13.839 ( -0.000 1.388 0.000) 1.388 14.636 ( -0.000 26.137 -0.000) 26.137 14.937 ( -0.000 25.382 0.000) 25.382 15.080 ( 0.000 -14.099 0.000) 14.099 15.474 ( 0.000 -7.773 -0.000) 7.773 16.033 ( -0.000 2.589 0.000) 2.589 17.130 ( -0.000 0.388 0.000) 0.388 ======================= Grid point 354 (169/172) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -8.727 0.000 -13.099) 15.740 1.624 ( 12.347 -0.000 -5.677) 13.590 1.665 ( 9.202 -0.000 4.207) 10.118 2.065 ( 4.186 -0.000 -0.065) 4.187 2.170 ( 1.711 -0.000 2.249) 2.826 2.333 ( 1.424 -0.000 0.703) 1.588 2.553 ( -5.144 0.000 -8.319) 9.781 2.597 ( -6.306 0.000 3.017) 6.990 2.681 ( 2.594 -0.000 8.967) 9.335 2.780 ( -2.501 0.000 -4.386) 5.049 3.412 ( 0.996 -0.000 -7.899) 7.962 3.473 ( -1.713 0.000 4.687) 4.990 3.516 ( 7.056 -0.000 -2.137) 7.372 3.922 ( -5.000 0.000 -0.970) 5.093 4.298 ( -7.072 0.000 -0.231) 7.075 4.404 ( 0.338 -0.000 -3.543) 3.560 4.567 ( 14.299 -0.000 5.270) 15.239 4.768 ( 0.133 -0.000 -1.959) 1.964 4.803 ( -1.084 0.000 4.151) 4.290 4.846 ( -4.071 0.000 0.603) 4.116 4.946 ( -3.905 0.000 3.556) 5.281 5.234 ( -2.185 0.000 -0.698) 2.294 5.525 ( 8.065 -0.000 -1.038) 8.131 5.691 ( 1.079 -0.000 0.705) 1.289 5.715 ( -5.556 0.000 4.272) 7.008 5.839 ( 1.594 -0.000 3.041) 3.434 6.022 ( -1.193 0.000 0.285) 1.227 6.120 ( -3.978 0.000 -2.349) 4.620 6.139 ( -1.998 0.000 -1.361) 2.417 6.717 ( 1.140 -0.000 1.717) 2.061 6.846 ( -0.513 0.000 -11.154) 11.165 7.021 ( -4.149 0.000 10.371) 11.170 7.042 ( -2.886 0.000 -2.238) 3.653 7.436 ( -7.432 0.000 -0.031) 7.432 7.848 ( 4.772 -0.000 -1.000) 4.875 7.977 ( -3.214 0.000 1.776) 3.672 8.030 ( 3.971 -0.000 7.044) 8.086 8.190 ( 0.995 -0.000 -1.142) 1.514 8.246 ( -5.238 0.000 -6.086) 8.030 8.373 ( 0.706 -0.000 -0.271) 0.756 8.409 ( 0.444 -0.000 -1.090) 1.177 9.160 ( 3.668 -0.000 6.468) 7.436 9.239 ( -0.357 0.000 -3.204) 3.224 9.900 ( -0.428 0.000 -1.164) 1.240 10.092 ( 1.464 -0.000 -1.890) 2.391 10.381 ( 0.724 -0.000 1.037) 1.265 10.455 ( -0.581 0.000 -2.350) 2.421 11.019 ( 4.447 -0.000 4.924) 6.635 11.367 ( 2.839 -0.000 -6.068) 6.699 12.176 ( -6.863 0.000 3.024) 7.500 12.385 ( -2.580 0.000 -1.863) 3.182 12.935 ( -0.084 0.000 -0.597) 0.603 13.878 ( 2.997 -0.000 2.028) 3.619 13.945 ( 8.155 -0.000 4.169) 9.159 14.245 ( 4.429 -0.000 -1.684) 4.738 14.366 ( -11.356 0.000 -1.482) 11.452 16.009 ( 3.872 -0.000 -6.165) 7.280 16.247 ( 1.293 -0.000 3.664) 3.886 16.558 ( 0.362 -0.000 2.515) 2.541 17.243 ( -0.777 0.000 -2.932) 3.033 ======================= Grid point 355 (170/172) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -3.444 -22.401 -4.773) 23.161 1.665 ( 5.808 1.701 -2.418) 6.517 1.951 ( 5.655 -19.675 2.124) 20.582 2.195 ( -2.253 -11.500 -2.532) 11.989 2.295 ( 4.506 -9.853 2.084) 11.033 2.349 ( 0.834 -1.578 0.034) 1.785 2.566 ( -4.680 -5.296 -0.864) 7.121 2.606 ( -0.529 -3.680 0.438) 3.743 2.743 ( 0.015 -3.717 2.760) 4.630 2.809 ( -1.292 -7.309 -1.615) 7.596 3.395 ( 1.874 0.516 -2.411) 3.097 3.567 ( -2.007 -11.173 0.725) 11.375 3.634 ( 4.596 -5.627 -0.598) 7.290 3.831 ( -3.409 5.596 -0.254) 6.557 4.273 ( -2.816 -1.597 -0.092) 3.238 4.408 ( 1.544 -0.194 -2.418) 2.875 4.551 ( 3.381 7.509 3.492) 8.945 4.717 ( -2.459 1.859 -1.136) 3.285 4.806 ( -1.296 1.421 -0.017) 1.923 4.894 ( 0.218 -3.256 -1.072) 3.435 4.977 ( 0.108 -5.280 4.585) 6.993 5.238 ( -0.448 -2.889 0.591) 2.983 5.544 ( 4.437 3.692 -0.108) 5.773 5.687 ( -0.280 0.274 2.585) 2.614 5.726 ( -0.781 -1.219 0.539) 1.545 5.744 ( -1.614 4.818 -2.662) 5.736 5.981 ( -2.305 6.205 -0.415) 6.632 6.122 ( 0.754 -8.014 0.370) 8.058 6.278 ( -1.209 -10.141 0.823) 10.246 6.690 ( -0.554 3.768 -0.556) 3.849 6.822 ( 0.056 0.801 -4.322) 4.396 7.010 ( -1.570 -0.693 5.645) 5.900 7.096 ( -1.685 -7.694 -1.281) 7.980 7.345 ( -3.402 4.282 -0.410) 5.484 7.811 ( 2.067 9.048 0.778) 9.314 7.962 ( 0.375 -3.313 1.697) 3.741 8.081 ( 2.356 -0.231 1.332) 2.716 8.169 ( -4.302 -0.312 -2.589) 5.031 8.315 ( 1.323 -8.807 -0.775) 8.940 8.372 ( 0.107 2.242 -1.206) 2.548 8.446 ( -0.758 -5.415 0.308) 5.477 9.170 ( 2.391 2.645 3.943) 5.316 9.221 ( -0.641 0.866 -2.400) 2.631 9.857 ( -0.353 4.032 -0.630) 4.096 10.069 ( 0.805 3.364 -1.018) 3.606 10.331 ( 0.489 5.649 0.770) 5.723 10.404 ( -0.313 4.825 -1.152) 4.971 11.124 ( 2.098 -7.425 2.740) 8.188 11.453 ( 1.826 -7.747 -3.708) 8.781 12.166 ( -4.328 -3.710 1.884) 6.004 12.404 ( -1.263 -4.009 -0.997) 4.320 12.907 ( -0.081 2.616 -0.212) 2.626 13.949 ( 4.564 1.972 1.985) 5.353 14.037 ( 6.507 -7.068 4.236) 10.500 14.217 ( -9.563 2.589 -4.868) 11.039 14.409 ( 1.314 -12.396 0.289) 12.469 15.923 ( 1.468 11.533 -3.368) 12.104 16.232 ( 0.814 2.799 1.923) 3.492 16.448 ( 0.089 12.366 1.080) 12.413 17.219 ( -0.246 1.693 -1.193) 2.085 ======================= Grid point 356 (171/172) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 -15.754 0.000) 15.754 1.656 ( -0.000 1.614 0.000) 1.614 2.336 ( -0.000 -14.319 -0.000) 14.319 2.366 ( -0.000 -5.612 0.000) 5.612 2.458 ( -0.000 -12.578 -0.000) 12.578 2.530 ( -0.000 -10.905 0.000) 10.905 2.639 ( -0.000 -4.714 0.000) 4.714 2.745 ( -0.000 -14.857 0.000) 14.857 2.832 ( -0.000 -7.147 -0.000) 7.147 2.985 ( -0.000 -9.622 0.000) 9.622 3.461 ( -0.000 -7.435 0.000) 7.435 3.683 ( -0.000 7.870 -0.000) 7.870 3.787 ( 0.000 -9.595 0.000) 9.595 3.803 ( -0.000 -13.157 0.000) 13.157 4.240 ( -0.000 4.850 0.000) 4.850 4.435 ( -0.000 -1.350 0.000) 1.350 4.498 ( -0.000 -3.373 0.000) 3.373 4.684 ( -0.000 -0.109 0.000) 0.109 4.770 ( -0.000 1.676 -0.000) 1.676 4.951 ( -0.000 -2.969 0.000) 2.969 5.040 ( -0.000 -1.592 0.000) 1.592 5.354 ( -0.000 -8.439 0.000) 8.439 5.450 ( -0.000 8.618 -0.000) 8.618 5.604 ( -0.000 2.566 -0.000) 2.566 5.768 ( -0.000 -1.155 -0.000) 1.155 5.785 ( -0.000 -7.219 0.000) 7.219 5.856 ( -0.000 6.263 0.000) 6.263 6.263 ( -0.000 -6.192 0.000) 6.192 6.440 ( -0.000 -7.150 0.000) 7.150 6.595 ( -0.000 5.335 0.000) 5.335 6.797 ( 0.000 2.119 -0.000) 2.119 7.033 ( -0.000 -2.193 0.000) 2.193 7.239 ( -0.000 5.425 0.000) 5.425 7.243 ( -0.000 -6.323 -0.000) 6.323 7.643 ( -0.000 6.545 0.000) 6.545 8.064 ( -0.000 -3.794 0.000) 3.794 8.072 ( -0.000 -1.725 0.000) 1.725 8.141 ( -0.000 4.882 0.000) 4.882 8.327 ( -0.000 -1.207 0.000) 1.207 8.540 ( -0.000 -13.022 0.000) 13.022 8.546 ( 0.000 -5.553 -0.000) 5.553 9.116 ( -0.000 3.865 0.000) 3.865 9.202 ( -0.000 0.841 0.000) 0.841 9.758 ( -0.000 6.306 0.000) 6.306 9.982 ( -0.000 6.246 0.000) 6.246 10.213 ( -0.000 6.983 0.000) 6.983 10.280 ( -0.000 8.306 -0.000) 8.306 11.312 ( -0.000 -11.754 0.000) 11.754 11.665 ( -0.000 -14.603 0.000) 14.603 12.240 ( -0.000 -6.444 0.000) 6.444 12.505 ( -0.000 -7.659 0.000) 7.659 12.852 ( -0.000 2.973 0.000) 2.973 13.855 ( -0.000 10.384 0.000) 10.384 14.040 ( -0.000 6.850 0.000) 6.850 14.359 ( -0.000 -18.945 0.000) 18.945 14.707 ( -0.000 -17.979 -0.000) 17.979 15.622 ( -0.000 21.265 0.000) 21.265 16.123 ( -0.000 22.739 0.000) 22.739 16.172 ( -0.000 4.168 -0.000) 4.168 17.182 ( -0.000 2.066 0.000) 2.066 ======================= Grid point 367 (172/172) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -0.000 0.000 0.000) 0.000 1.727 ( -0.000 0.000 0.000) 0.000 1.764 ( 0.000 -0.000 0.000) 0.000 2.082 ( -0.000 0.000 -0.000) 0.000 2.211 ( -0.000 0.000 0.000) 0.000 2.345 ( -0.000 0.000 0.000) 0.000 2.478 ( -0.000 0.000 -0.000) 0.000 2.549 ( -0.000 0.000 0.000) 0.000 2.729 ( -0.000 0.000 -0.000) 0.000 2.739 ( -0.000 0.000 0.000) 0.000 3.417 ( -0.000 0.000 -0.000) 0.000 3.451 ( -0.000 0.000 -0.000) 0.000 3.600 ( -0.000 0.000 0.000) 0.000 3.873 ( -0.000 0.000 0.000) 0.000 4.224 ( -0.000 0.000 0.000) 0.000 4.408 ( -0.000 0.000 0.000) 0.000 4.684 ( -0.000 0.000 -0.000) 0.000 4.772 ( -0.000 0.000 0.000) 0.000 4.806 ( 0.000 -0.000 -0.000) 0.000 4.852 ( -0.000 0.000 0.000) 0.000 4.875 ( 0.000 -0.000 0.000) 0.000 5.214 ( -0.000 0.000 0.000) 0.000 5.606 ( -0.000 0.000 0.000) 0.000 5.668 ( -0.000 0.000 0.000) 0.000 5.702 ( -0.000 0.000 0.000) 0.000 5.859 ( -0.000 0.000 0.000) 0.000 6.005 ( -0.000 0.000 -0.000) 0.000 6.077 ( -0.000 0.000 0.000) 0.000 6.117 ( -0.000 0.000 0.000) 0.000 6.730 ( -0.000 0.000 0.000) 0.000 6.819 ( 0.000 -0.000 -0.000) 0.000 7.000 ( -0.000 0.000 0.000) 0.000 7.013 ( -0.000 0.000 0.000) 0.000 7.372 ( -0.000 0.000 0.000) 0.000 7.915 ( 0.000 -0.000 -0.000) 0.000 7.927 ( -0.000 0.000 0.000) 0.000 8.125 ( -0.000 0.000 0.000) 0.000 8.141 ( -0.000 0.000 0.000) 0.000 8.196 ( -0.000 0.000 0.000) 0.000 8.379 ( -0.000 0.000 0.000) 0.000 8.414 ( -0.000 0.000 0.000) 0.000 9.212 ( -0.000 0.000 -0.000) 0.000 9.221 ( 0.000 -0.000 0.000) 0.000 9.894 ( -0.000 0.000 0.000) 0.000 10.102 ( -0.000 0.000 0.000) 0.000 10.390 ( -0.000 0.000 0.000) 0.000 10.446 ( -0.000 0.000 -0.000) 0.000 11.066 ( -0.000 0.000 0.000) 0.000 11.386 ( -0.000 0.000 0.000) 0.000 12.116 ( 0.000 -0.000 -0.000) 0.000 12.361 ( -0.000 0.000 0.000) 0.000 12.933 ( -0.000 0.000 0.000) 0.000 13.907 ( -0.000 0.000 0.000) 0.000 14.088 ( -0.000 0.000 0.000) 0.000 14.199 ( -0.000 0.000 0.000) 0.000 14.282 ( -0.000 0.000 -0.000) 0.000 16.037 ( -0.000 0.000 0.000) 0.000 16.262 ( -0.000 0.000 0.000) 0.000 16.563 ( -0.000 0.000 0.000) 0.000 17.234 ( -0.000 0.000 0.000) 0.000 =================== 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 3/36000 10.0 250.382 169.875 140.789 -0.000 97.624 -0.000 3/36000 20.0 32.238 30.112 24.302 -0.000 11.627 -0.000 3/36000 30.0 12.282 12.553 10.236 -0.000 3.979 -0.000 3/36000 40.0 6.702 7.263 5.885 -0.000 2.036 -0.000 3/36000 50.0 4.365 4.935 3.967 -0.000 1.272 -0.000 3/36000 60.0 3.167 3.692 2.951 -0.000 0.897 -0.000 3/36000 70.0 2.467 2.944 2.342 -0.000 0.683 -0.000 3/36000 80.0 2.018 2.455 1.944 -0.000 0.549 -0.000 3/36000 90.0 1.710 2.115 1.666 -0.000 0.457 -0.000 3/36000 100.0 1.488 1.867 1.462 -0.000 0.391 -0.000 3/36000 110.0 1.321 1.680 1.308 -0.000 0.342 -0.000 3/36000 120.0 1.191 1.535 1.187 -0.000 0.303 -0.000 3/36000 130.0 1.087 1.418 1.089 -0.000 0.272 -0.000 3/36000 140.0 1.002 1.322 1.010 -0.000 0.247 -0.000 3/36000 150.0 0.932 1.242 0.943 -0.000 0.226 -0.000 3/36000 160.0 0.872 1.173 0.886 -0.000 0.208 -0.000 3/36000 170.0 0.820 1.113 0.837 -0.000 0.192 -0.000 3/36000 180.0 0.776 1.060 0.794 -0.000 0.179 -0.000 3/36000 190.0 0.736 1.013 0.756 -0.000 0.168 -0.000 3/36000 200.0 0.701 0.971 0.723 -0.000 0.158 -0.000 3/36000 210.0 0.669 0.933 0.692 -0.000 0.149 -0.000 3/36000 220.0 0.640 0.897 0.664 -0.000 0.141 -0.000 3/36000 230.0 0.614 0.865 0.639 -0.000 0.133 -0.000 3/36000 240.0 0.591 0.835 0.616 -0.000 0.127 -0.000 3/36000 250.0 0.569 0.807 0.595 -0.000 0.121 -0.000 3/36000 260.0 0.548 0.781 0.575 -0.000 0.116 -0.000 3/36000 270.0 0.529 0.757 0.556 -0.000 0.111 -0.000 3/36000 280.0 0.512 0.734 0.539 -0.000 0.106 -0.000 3/36000 290.0 0.495 0.712 0.522 -0.000 0.102 -0.000 3/36000 300.0 0.480 0.692 0.507 -0.000 0.098 -0.000 3/36000 310.0 0.466 0.673 0.493 -0.000 0.095 -0.000 3/36000 320.0 0.452 0.655 0.479 -0.000 0.091 -0.000 3/36000 330.0 0.439 0.638 0.466 -0.000 0.088 -0.000 3/36000 340.0 0.427 0.621 0.454 -0.000 0.085 -0.000 3/36000 350.0 0.416 0.606 0.443 -0.000 0.083 -0.000 3/36000 360.0 0.405 0.591 0.432 -0.000 0.080 -0.000 3/36000 370.0 0.395 0.577 0.421 -0.000 0.078 -0.000 3/36000 380.0 0.385 0.563 0.411 -0.000 0.076 -0.000 3/36000 390.0 0.376 0.550 0.402 -0.000 0.073 -0.000 3/36000 400.0 0.367 0.538 0.392 -0.000 0.071 -0.000 3/36000 410.0 0.358 0.526 0.384 -0.000 0.070 -0.000 3/36000 420.0 0.350 0.515 0.375 -0.000 0.068 -0.000 3/36000 430.0 0.343 0.504 0.367 -0.000 0.066 -0.000 3/36000 440.0 0.335 0.493 0.360 -0.000 0.064 -0.000 3/36000 450.0 0.328 0.483 0.352 -0.000 0.063 -0.000 3/36000 460.0 0.321 0.474 0.345 -0.000 0.062 -0.000 3/36000 470.0 0.315 0.464 0.339 -0.000 0.060 -0.000 3/36000 480.0 0.308 0.456 0.332 -0.000 0.059 -0.000 3/36000 490.0 0.302 0.447 0.326 -0.000 0.058 -0.000 3/36000 500.0 0.297 0.439 0.320 -0.000 0.056 -0.000 3/36000 510.0 0.291 0.431 0.314 -0.000 0.055 -0.000 3/36000 520.0 0.286 0.423 0.308 -0.000 0.054 -0.000 3/36000 530.0 0.281 0.416 0.303 -0.000 0.053 -0.000 3/36000 540.0 0.276 0.408 0.297 -0.000 0.052 -0.000 3/36000 550.0 0.271 0.401 0.292 -0.000 0.051 -0.000 3/36000 560.0 0.266 0.395 0.287 -0.000 0.050 -0.000 3/36000 570.0 0.262 0.388 0.283 -0.000 0.049 -0.000 3/36000 580.0 0.257 0.382 0.278 -0.000 0.048 -0.000 3/36000 590.0 0.253 0.376 0.274 -0.000 0.047 -0.000 3/36000 600.0 0.249 0.370 0.269 -0.000 0.047 -0.000 3/36000 610.0 0.245 0.364 0.265 -0.000 0.046 -0.000 3/36000 620.0 0.241 0.358 0.261 -0.000 0.045 -0.000 3/36000 630.0 0.237 0.353 0.257 -0.000 0.044 -0.000 3/36000 640.0 0.234 0.348 0.253 -0.000 0.043 -0.000 3/36000 650.0 0.230 0.343 0.249 -0.000 0.043 -0.000 3/36000 660.0 0.227 0.338 0.246 -0.000 0.042 -0.000 3/36000 670.0 0.224 0.333 0.242 -0.000 0.041 -0.000 3/36000 680.0 0.220 0.328 0.239 -0.000 0.041 -0.000 3/36000 690.0 0.217 0.324 0.236 -0.000 0.040 -0.000 3/36000 700.0 0.214 0.319 0.232 -0.000 0.040 -0.000 3/36000 710.0 0.211 0.315 0.229 -0.000 0.039 -0.000 3/36000 720.0 0.208 0.311 0.226 -0.000 0.039 -0.000 3/36000 730.0 0.206 0.307 0.223 -0.000 0.038 -0.000 3/36000 740.0 0.203 0.303 0.220 -0.000 0.037 -0.000 3/36000 750.0 0.200 0.299 0.217 -0.000 0.037 -0.000 3/36000 760.0 0.198 0.295 0.215 -0.000 0.036 -0.000 3/36000 770.0 0.195 0.291 0.212 -0.000 0.036 -0.000 3/36000 780.0 0.193 0.288 0.209 -0.000 0.035 -0.000 3/36000 790.0 0.190 0.284 0.207 -0.000 0.035 -0.000 3/36000 800.0 0.188 0.281 0.204 -0.000 0.035 -0.000 3/36000 810.0 0.186 0.277 0.202 -0.000 0.034 -0.000 3/36000 820.0 0.183 0.274 0.199 -0.000 0.034 -0.000 3/36000 830.0 0.181 0.271 0.197 -0.000 0.033 -0.000 3/36000 840.0 0.179 0.268 0.195 -0.000 0.033 -0.000 3/36000 850.0 0.177 0.265 0.193 -0.000 0.032 -0.000 3/36000 860.0 0.175 0.262 0.190 -0.000 0.032 -0.000 3/36000 870.0 0.173 0.259 0.188 -0.000 0.032 -0.000 3/36000 880.0 0.171 0.256 0.186 -0.000 0.031 -0.000 3/36000 890.0 0.169 0.253 0.184 -0.000 0.031 -0.000 3/36000 900.0 0.167 0.250 0.182 -0.000 0.031 -0.000 3/36000 910.0 0.166 0.248 0.180 -0.000 0.030 -0.000 3/36000 920.0 0.164 0.245 0.178 -0.000 0.030 -0.000 3/36000 930.0 0.162 0.242 0.176 -0.000 0.030 -0.000 3/36000 940.0 0.160 0.240 0.175 -0.000 0.029 -0.000 3/36000 950.0 0.159 0.237 0.173 -0.000 0.029 -0.000 3/36000 960.0 0.157 0.235 0.171 -0.000 0.029 -0.000 3/36000 970.0 0.156 0.233 0.169 -0.000 0.028 -0.000 3/36000 980.0 0.154 0.230 0.168 -0.000 0.028 -0.000 3/36000 990.0 0.152 0.228 0.166 -0.000 0.028 -0.000 3/36000 1000.0 0.151 0.226 0.164 -0.000 0.028 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:01:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|