----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:34:04]------------------------- 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/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.559874391666925 -4.149189794999999 0.000000000000000 b 8.559874391666925 4.149189794999999 0.000000000000000 c -7.351187714332518 0.000000000000000 8.926880385294073 Atomic positions (fractional): *1 Mg 0.99619159209641 0.00380840790359 0.75000000000000 24.305 2 Mg 0.00380840790359 0.99619159209641 0.25000000000000 24.305 *3 Al 0.32697570577410 0.84007030032750 0.53220065091205 26.982 4 Al 0.15992969967250 0.67302429422590 0.96779934908795 26.982 5 Al 0.67302429422590 0.15992969967250 0.46779934908795 26.982 6 Al 0.84007030032750 0.32697570577410 0.03220065091205 26.982 *7 Cl 0.61376330003972 0.68938795717732 0.55069306766588 35.453 8 Cl 0.31061204282268 0.38623669996028 0.94930693233412 35.453 9 Cl 0.38623669996028 0.31061204282268 0.44930693233412 35.453 10 Cl 0.68938795717732 0.61376330003972 0.05069306766588 35.453 *11 Cl 0.18696104346953 0.12085070320954 0.51852319916952 35.453 12 Cl 0.87914929679046 0.81303895653047 0.98147680083048 35.453 13 Cl 0.81303895653047 0.87914929679046 0.48147680083048 35.453 14 Cl 0.12085070320954 0.18696104346953 0.01852319916952 35.453 *15 Cl 0.30615923065051 0.86566665246173 0.72176954512846 35.453 16 Cl 0.13433334753827 0.69384076934949 0.77823045487154 35.453 17 Cl 0.69384076934949 0.13433334753827 0.27823045487154 35.453 18 Cl 0.86566665246173 0.30615923065051 0.22176954512846 35.453 *19 Cl 0.14727792704679 0.71517603569191 0.32074557551754 35.453 20 Cl 0.28482396430809 0.85272207295321 0.17925442448246 35.453 21 Cl 0.85272207295321 0.28482396430809 0.67925442448246 35.453 22 Cl 0.71517603569191 0.14727792704679 0.82074557551754 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 17.119748783333851 0.000000000000000 0.000000000000000 b 0.000000000000000 8.298379589999998 0.000000000000000 c -7.351187714332518 0.000000000000000 8.926880385294073 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00380840790359 0.75000000000000 24.305 > 1 2 Mg 0.00000000000000 0.99619159209641 0.25000000000000 24.305 > 2 3 Mg 0.50000000000000 0.50380840790359 0.75000000000000 24.305 > 1 4 Mg 0.50000000000000 0.49619159209641 0.25000000000000 24.305 > 2 *5 Al 0.08352300305080 0.75654729727670 0.53220065091205 26.982 > 3 6 Al 0.41647699694920 0.25654729727670 0.96779934908795 26.982 > 4 7 Al 0.91647699694920 0.24345270272330 0.46779934908795 26.982 > 5 8 Al 0.58352300305080 0.74345270272330 0.03220065091205 26.982 > 6 9 Al 0.58352300305080 0.25654729727670 0.53220065091205 26.982 > 3 10 Al 0.91647699694920 0.75654729727670 0.96779934908795 26.982 > 4 11 Al 0.41647699694920 0.74345270272330 0.46779934908795 26.982 > 5 12 Al 0.08352300305080 0.24345270272330 0.03220065091205 26.982 > 6 *13 Cl 0.15157562860852 0.53781232856880 0.55069306766588 35.453 > 7 14 Cl 0.34842437139148 0.03781232856880 0.94930693233412 35.453 > 8 15 Cl 0.84842437139148 0.46218767143120 0.44930693233412 35.453 > 9 16 Cl 0.65157562860852 0.96218767143120 0.05069306766588 35.453 > 10 *17 Cl 0.15390587333953 0.96694482987001 0.51852319916952 35.453 > 11 18 Cl 0.34609412666047 0.46694482987001 0.98147680083048 35.453 > 12 19 Cl 0.84609412666047 0.03305517012999 0.48147680083048 35.453 > 13 20 Cl 0.65390587333953 0.53305517012999 0.01852319916952 35.453 > 14 *21 Cl 0.08591294155612 0.77975371090561 0.72176954512846 35.453 > 15 22 Cl 0.91408705844388 0.77975371090561 0.77823045487154 35.453 > 16 23 Cl 0.91408705844388 0.22024628909439 0.27823045487154 35.453 > 17 24 Cl 0.08591294155612 0.22024628909439 0.22176954512846 35.453 > 18 *25 Cl 0.93122698136935 0.78394905432256 0.32074557551754 35.453 > 19 26 Cl 0.06877301863065 0.78394905432256 0.17925442448246 35.453 > 20 27 Cl 0.06877301863065 0.21605094567744 0.67925442448246 35.453 > 21 28 Cl 0.93122698136935 0.21605094567744 0.82074557551754 35.453 > 22 29 Cl 0.65157562860852 0.03781232856880 0.55069306766588 35.453 > 7 30 Cl 0.84842437139148 0.53781232856880 0.94930693233412 35.453 > 8 31 Cl 0.34842437139148 0.96218767143120 0.44930693233412 35.453 > 9 32 Cl 0.15157562860852 0.46218767143120 0.05069306766588 35.453 > 10 33 Cl 0.65390587333953 0.46694482987001 0.51852319916952 35.453 > 11 34 Cl 0.84609412666047 0.96694482987001 0.98147680083048 35.453 > 12 35 Cl 0.34609412666047 0.53305517012999 0.48147680083048 35.453 > 13 36 Cl 0.15390587333953 0.03305517012999 0.01852319916952 35.453 > 14 37 Cl 0.58591294155612 0.27975371090561 0.72176954512846 35.453 > 15 38 Cl 0.41408705844388 0.27975371090561 0.77823045487154 35.453 > 16 39 Cl 0.41408705844388 0.72024628909439 0.27823045487154 35.453 > 17 40 Cl 0.58591294155612 0.72024628909439 0.22176954512846 35.453 > 18 41 Cl 0.43122698136935 0.28394905432256 0.32074557551754 35.453 > 19 42 Cl 0.56877301863065 0.28394905432256 0.17925442448246 35.453 > 20 43 Cl 0.56877301863065 0.71605094567744 0.67925442448246 35.453 > 21 44 Cl 0.43122698136935 0.71605094567744 0.82074557551754 35.453 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.119748783333851 0.000000000000000 0.000000000000000 b 0.000000000000000 16.596759179999996 0.000000000000000 c -7.351187714332518 0.000000000000000 8.926880385294073 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00190420395179 0.75000000000000 24.305 > 1 2 Mg 0.00000000000000 0.50190420395179 0.75000000000000 24.305 > 1 3 Mg 0.00000000000000 0.49809579604821 0.25000000000000 24.305 > 2 4 Mg 0.00000000000000 0.99809579604821 0.25000000000000 24.305 > 2 5 Mg 0.50000000000000 0.25190420395179 0.75000000000000 24.305 > 1 6 Mg 0.50000000000000 0.75190420395179 0.75000000000000 24.305 > 1 7 Mg 0.50000000000000 0.24809579604821 0.25000000000000 24.305 > 2 8 Mg 0.50000000000000 0.74809579604821 0.25000000000000 24.305 > 2 *9 Al 0.08352300305080 0.37827364863835 0.53220065091205 26.982 > 3 10 Al 0.08352300305080 0.87827364863835 0.53220065091205 26.982 > 3 11 Al 0.41647699694920 0.12827364863835 0.96779934908795 26.982 > 4 12 Al 0.41647699694920 0.62827364863835 0.96779934908795 26.982 > 4 13 Al 0.91647699694920 0.12172635136165 0.46779934908795 26.982 > 5 14 Al 0.91647699694920 0.62172635136165 0.46779934908795 26.982 > 5 15 Al 0.58352300305080 0.37172635136165 0.03220065091205 26.982 > 6 16 Al 0.58352300305080 0.87172635136165 0.03220065091205 26.982 > 6 17 Al 0.58352300305080 0.12827364863835 0.53220065091205 26.982 > 3 18 Al 0.58352300305080 0.62827364863835 0.53220065091205 26.982 > 3 19 Al 0.91647699694920 0.37827364863835 0.96779934908795 26.982 > 4 20 Al 0.91647699694920 0.87827364863835 0.96779934908795 26.982 > 4 21 Al 0.41647699694920 0.37172635136165 0.46779934908795 26.982 > 5 22 Al 0.41647699694920 0.87172635136165 0.46779934908795 26.982 > 5 23 Al 0.08352300305080 0.12172635136165 0.03220065091205 26.982 > 6 24 Al 0.08352300305080 0.62172635136165 0.03220065091205 26.982 > 6 *25 Cl 0.15157562860852 0.26890616428440 0.55069306766588 35.453 > 7 26 Cl 0.15157562860852 0.76890616428440 0.55069306766588 35.453 > 7 27 Cl 0.34842437139148 0.01890616428440 0.94930693233412 35.453 > 8 28 Cl 0.34842437139148 0.51890616428440 0.94930693233412 35.453 > 8 29 Cl 0.84842437139148 0.23109383571560 0.44930693233412 35.453 > 9 30 Cl 0.84842437139148 0.73109383571560 0.44930693233412 35.453 > 9 31 Cl 0.65157562860852 0.48109383571560 0.05069306766588 35.453 > 10 32 Cl 0.65157562860852 0.98109383571560 0.05069306766588 35.453 > 10 *33 Cl 0.15390587333953 0.48347241493500 0.51852319916952 35.453 > 11 34 Cl 0.15390587333953 0.98347241493500 0.51852319916952 35.453 > 11 35 Cl 0.34609412666047 0.23347241493500 0.98147680083048 35.453 > 12 36 Cl 0.34609412666047 0.73347241493500 0.98147680083048 35.453 > 12 37 Cl 0.84609412666047 0.01652758506500 0.48147680083048 35.453 > 13 38 Cl 0.84609412666047 0.51652758506500 0.48147680083048 35.453 > 13 39 Cl 0.65390587333953 0.26652758506500 0.01852319916952 35.453 > 14 40 Cl 0.65390587333953 0.76652758506500 0.01852319916952 35.453 > 14 *41 Cl 0.08591294155612 0.38987685545280 0.72176954512846 35.453 > 15 42 Cl 0.08591294155612 0.88987685545280 0.72176954512846 35.453 > 15 43 Cl 0.91408705844388 0.38987685545280 0.77823045487154 35.453 > 16 44 Cl 0.91408705844388 0.88987685545280 0.77823045487154 35.453 > 16 45 Cl 0.91408705844388 0.11012314454720 0.27823045487154 35.453 > 17 46 Cl 0.91408705844388 0.61012314454720 0.27823045487154 35.453 > 17 47 Cl 0.08591294155612 0.11012314454720 0.22176954512846 35.453 > 18 48 Cl 0.08591294155612 0.61012314454720 0.22176954512846 35.453 > 18 *49 Cl 0.93122698136935 0.39197452716128 0.32074557551754 35.453 > 19 50 Cl 0.93122698136935 0.89197452716128 0.32074557551754 35.453 > 19 51 Cl 0.06877301863065 0.39197452716128 0.17925442448246 35.453 > 20 52 Cl 0.06877301863065 0.89197452716128 0.17925442448246 35.453 > 20 53 Cl 0.06877301863065 0.10802547283872 0.67925442448246 35.453 > 21 54 Cl 0.06877301863065 0.60802547283872 0.67925442448246 35.453 > 21 55 Cl 0.93122698136935 0.10802547283872 0.82074557551754 35.453 > 22 56 Cl 0.93122698136935 0.60802547283872 0.82074557551754 35.453 > 22 57 Cl 0.65157562860852 0.01890616428440 0.55069306766588 35.453 > 7 58 Cl 0.65157562860852 0.51890616428440 0.55069306766588 35.453 > 7 59 Cl 0.84842437139148 0.26890616428440 0.94930693233412 35.453 > 8 60 Cl 0.84842437139148 0.76890616428440 0.94930693233412 35.453 > 8 61 Cl 0.34842437139148 0.48109383571560 0.44930693233412 35.453 > 9 62 Cl 0.34842437139148 0.98109383571560 0.44930693233412 35.453 > 9 63 Cl 0.15157562860852 0.23109383571560 0.05069306766588 35.453 > 10 64 Cl 0.15157562860852 0.73109383571560 0.05069306766588 35.453 > 10 65 Cl 0.65390587333953 0.23347241493500 0.51852319916952 35.453 > 11 66 Cl 0.65390587333953 0.73347241493500 0.51852319916952 35.453 > 11 67 Cl 0.84609412666047 0.48347241493500 0.98147680083048 35.453 > 12 68 Cl 0.84609412666047 0.98347241493500 0.98147680083048 35.453 > 12 69 Cl 0.34609412666047 0.26652758506500 0.48147680083048 35.453 > 13 70 Cl 0.34609412666047 0.76652758506500 0.48147680083048 35.453 > 13 71 Cl 0.15390587333953 0.01652758506500 0.01852319916952 35.453 > 14 72 Cl 0.15390587333953 0.51652758506500 0.01852319916952 35.453 > 14 73 Cl 0.58591294155612 0.13987685545280 0.72176954512846 35.453 > 15 74 Cl 0.58591294155612 0.63987685545280 0.72176954512846 35.453 > 15 75 Cl 0.41408705844388 0.13987685545280 0.77823045487154 35.453 > 16 76 Cl 0.41408705844388 0.63987685545280 0.77823045487154 35.453 > 16 77 Cl 0.41408705844388 0.36012314454720 0.27823045487154 35.453 > 17 78 Cl 0.41408705844388 0.86012314454720 0.27823045487154 35.453 > 17 79 Cl 0.58591294155612 0.36012314454720 0.22176954512846 35.453 > 18 80 Cl 0.58591294155612 0.86012314454720 0.22176954512846 35.453 > 18 81 Cl 0.43122698136935 0.14197452716128 0.32074557551754 35.453 > 19 82 Cl 0.43122698136935 0.64197452716128 0.32074557551754 35.453 > 19 83 Cl 0.56877301863065 0.14197452716128 0.17925442448246 35.453 > 20 84 Cl 0.56877301863065 0.64197452716128 0.17925442448246 35.453 > 20 85 Cl 0.56877301863065 0.35802547283872 0.67925442448246 35.453 > 21 86 Cl 0.56877301863065 0.85802547283872 0.67925442448246 35.453 > 21 87 Cl 0.43122698136935 0.35802547283872 0.82074557551754 35.453 > 22 88 Cl 0.43122698136935 0.85802547283872 0.82074557551754 35.453 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4568785 0.0000000 -0.0992161 0.0000000 2.4645340 0.0000000 -0.0992165 0.0000000 2.4883619 -------------------------- Born effective charges -------------------------- 1 Mg 1.9339958 0.0000000 -0.2855693 0.0000000 1.9761743 0.0000000 -0.5003137 0.0000000 2.0748795 2 Mg 1.9339958 0.0000000 -0.2855693 0.0000000 1.9761743 0.0000000 -0.5003137 0.0000000 2.0748795 3 Al 2.1161285 -0.0803536 -0.3515540 -0.2124837 2.3175454 -0.0442867 -0.2067667 -0.3315662 2.3415799 4 Al 2.1161285 0.0803536 -0.3515540 0.2124837 2.3175454 0.0442867 -0.2067667 0.3315662 2.3415799 5 Al 2.1161285 -0.0803536 -0.3515540 -0.2124837 2.3175454 -0.0442867 -0.2067667 -0.3315662 2.3415799 6 Al 2.1161285 0.0803536 -0.3515540 0.2124837 2.3175454 0.0442867 -0.2067667 0.3315662 2.3415799 7 Cl -0.6951524 0.3156316 -0.0162609 0.3191943 -1.1025035 0.0673092 -0.0480115 0.1380171 -0.5143225 8 Cl -0.6951524 -0.3156316 -0.0162609 -0.3191943 -1.1025035 -0.0673092 -0.0480115 -0.1380171 -0.5143225 9 Cl -0.6951524 0.3156316 -0.0162609 0.3191943 -1.1025035 0.0673092 -0.0480115 0.1380171 -0.5143225 10 Cl -0.6951524 -0.3156316 -0.0162609 -0.3191943 -1.1025035 -0.0673092 -0.0480115 -0.1380171 -0.5143225 11 Cl -0.6701752 -0.3359975 0.0461908 -0.2767746 -0.8823253 0.1581581 0.0397152 0.1998803 -0.8357486 12 Cl -0.6701752 0.3359975 0.0461908 0.2767746 -0.8823253 -0.1581581 0.0397152 -0.1998803 -0.8357486 13 Cl -0.6701752 -0.3359975 0.0461908 -0.2767746 -0.8823253 0.1581581 0.0397152 0.1998803 -0.8357486 14 Cl -0.6701752 0.3359975 0.0461908 0.2767746 -0.8823253 -0.1581581 0.0397152 -0.1998803 -0.8357486 15 Cl -1.0567383 0.3636655 0.5647958 0.3638778 -0.6948227 -0.1773684 0.5601356 -0.1522773 -0.9570689 16 Cl -1.0567383 -0.3636655 0.5647958 -0.3638778 -0.6948227 0.1773684 0.5601356 0.1522773 -0.9570689 17 Cl -1.0567383 0.3636655 0.5647958 0.3638778 -0.6948227 -0.1773684 0.5601356 -0.1522773 -0.9570689 18 Cl -1.0567383 -0.3636655 0.5647958 -0.3638778 -0.6948227 0.1773684 0.5601356 0.1522773 -0.9570689 19 Cl -0.6610604 -0.1007548 -0.1003871 -0.1075709 -0.6259810 0.1591481 -0.0949157 0.2209183 -1.0718796 20 Cl -0.6610604 0.1007548 -0.1003871 0.1075709 -0.6259810 -0.1591481 -0.0949157 -0.2209183 -1.0718796 21 Cl -0.6610604 -0.1007548 -0.1003871 -0.1075709 -0.6259810 0.1591481 -0.0949157 0.2209183 -1.0718796 22 Cl -0.6610604 0.1007548 -0.1003871 0.1075709 -0.6259810 -0.1591481 -0.0949157 -0.2209183 -1.0718796 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 264/264 Permutation basis: 11262/11262 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.592 Solver_block: 200 / 720 - Time: 0.531 Solver_block: 300 / 720 - Time: 0.526 Solver_block: 400 / 720 - Time: 0.525 Solver_block: 500 / 720 - Time: 0.525 Solver_block: 600 / 720 - Time: 0.524 Solver_block: 700 / 720 - Time: 0.531 Solver_block: 720 / 720 - Time: 0.202 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.052 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yz) -0.00000000 (yz) Permutation basis: 264/264 Permutation basis: 11262/11262 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yz) -0.00000000 (yz) 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 10:34:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:34:33]------------------------- 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/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.559874391666925 -4.149189794999999 0.000000000000000 b 8.559874391666925 4.149189794999999 0.000000000000000 c -7.351187714332518 0.000000000000000 8.926880385294073 Atomic positions (fractional): 1 Mg 0.99619159209641 0.00380840790359 0.75000000000000 24.305 2 Mg 0.00380840790359 0.99619159209641 0.25000000000000 24.305 3 Al 0.32697570577410 0.84007030032750 0.53220065091205 26.982 4 Al 0.15992969967250 0.67302429422590 0.96779934908795 26.982 5 Al 0.67302429422590 0.15992969967250 0.46779934908795 26.982 6 Al 0.84007030032750 0.32697570577410 0.03220065091205 26.982 7 Cl 0.61376330003972 0.68938795717732 0.55069306766588 35.453 8 Cl 0.31061204282268 0.38623669996028 0.94930693233412 35.453 9 Cl 0.38623669996028 0.31061204282268 0.44930693233412 35.453 10 Cl 0.68938795717732 0.61376330003972 0.05069306766588 35.453 11 Cl 0.18696104346953 0.12085070320954 0.51852319916952 35.453 12 Cl 0.87914929679046 0.81303895653047 0.98147680083048 35.453 13 Cl 0.81303895653047 0.87914929679046 0.48147680083048 35.453 14 Cl 0.12085070320954 0.18696104346953 0.01852319916952 35.453 15 Cl 0.30615923065051 0.86566665246173 0.72176954512846 35.453 16 Cl 0.13433334753827 0.69384076934949 0.77823045487154 35.453 17 Cl 0.69384076934949 0.13433334753827 0.27823045487154 35.453 18 Cl 0.86566665246173 0.30615923065051 0.22176954512846 35.453 19 Cl 0.14727792704679 0.71517603569191 0.32074557551754 35.453 20 Cl 0.28482396430809 0.85272207295321 0.17925442448246 35.453 21 Cl 0.85272207295321 0.28482396430809 0.67925442448246 35.453 22 Cl 0.71517603569191 0.14727792704679 0.82074557551754 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.119748783333851 0.000000000000000 0.000000000000000 b 0.000000000000000 16.596759179999996 0.000000000000000 c -7.351187714332518 0.000000000000000 8.926880385294073 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00190420395179 0.75000000000000 24.305 > 1 2 Mg 0.00000000000000 0.50190420395179 0.75000000000000 24.305 > 1 3 Mg 0.00000000000000 0.49809579604821 0.25000000000000 24.305 > 3 4 Mg 0.00000000000000 0.99809579604821 0.25000000000000 24.305 > 3 5 Mg 0.50000000000000 0.25190420395179 0.75000000000000 24.305 > 1 6 Mg 0.50000000000000 0.75190420395179 0.75000000000000 24.305 > 1 7 Mg 0.50000000000000 0.24809579604821 0.25000000000000 24.305 > 3 8 Mg 0.50000000000000 0.74809579604821 0.25000000000000 24.305 > 3 9 Al 0.08352300305080 0.37827364863835 0.53220065091205 26.982 > 9 10 Al 0.08352300305080 0.87827364863835 0.53220065091205 26.982 > 9 11 Al 0.41647699694920 0.12827364863835 0.96779934908795 26.982 > 11 12 Al 0.41647699694920 0.62827364863835 0.96779934908795 26.982 > 11 13 Al 0.91647699694920 0.12172635136165 0.46779934908795 26.982 > 13 14 Al 0.91647699694920 0.62172635136165 0.46779934908795 26.982 > 13 15 Al 0.58352300305080 0.37172635136165 0.03220065091205 26.982 > 15 16 Al 0.58352300305080 0.87172635136165 0.03220065091205 26.982 > 15 17 Al 0.58352300305080 0.12827364863835 0.53220065091205 26.982 > 9 18 Al 0.58352300305080 0.62827364863835 0.53220065091205 26.982 > 9 19 Al 0.91647699694920 0.37827364863835 0.96779934908795 26.982 > 11 20 Al 0.91647699694920 0.87827364863835 0.96779934908795 26.982 > 11 21 Al 0.41647699694920 0.37172635136165 0.46779934908795 26.982 > 13 22 Al 0.41647699694920 0.87172635136165 0.46779934908795 26.982 > 13 23 Al 0.08352300305080 0.12172635136165 0.03220065091205 26.982 > 15 24 Al 0.08352300305080 0.62172635136165 0.03220065091205 26.982 > 15 25 Cl 0.15157562860852 0.26890616428440 0.55069306766588 35.453 > 25 26 Cl 0.15157562860852 0.76890616428440 0.55069306766588 35.453 > 25 27 Cl 0.34842437139148 0.01890616428440 0.94930693233412 35.453 > 27 28 Cl 0.34842437139148 0.51890616428440 0.94930693233412 35.453 > 27 29 Cl 0.84842437139148 0.23109383571560 0.44930693233412 35.453 > 29 30 Cl 0.84842437139148 0.73109383571560 0.44930693233412 35.453 > 29 31 Cl 0.65157562860852 0.48109383571560 0.05069306766588 35.453 > 31 32 Cl 0.65157562860852 0.98109383571560 0.05069306766588 35.453 > 31 33 Cl 0.15390587333953 0.48347241493500 0.51852319916952 35.453 > 33 34 Cl 0.15390587333953 0.98347241493500 0.51852319916952 35.453 > 33 35 Cl 0.34609412666047 0.23347241493500 0.98147680083048 35.453 > 35 36 Cl 0.34609412666047 0.73347241493500 0.98147680083048 35.453 > 35 37 Cl 0.84609412666047 0.01652758506500 0.48147680083048 35.453 > 37 38 Cl 0.84609412666047 0.51652758506500 0.48147680083048 35.453 > 37 39 Cl 0.65390587333953 0.26652758506500 0.01852319916952 35.453 > 39 40 Cl 0.65390587333953 0.76652758506500 0.01852319916952 35.453 > 39 41 Cl 0.08591294155612 0.38987685545280 0.72176954512846 35.453 > 41 42 Cl 0.08591294155612 0.88987685545280 0.72176954512846 35.453 > 41 43 Cl 0.91408705844388 0.38987685545280 0.77823045487154 35.453 > 43 44 Cl 0.91408705844388 0.88987685545280 0.77823045487154 35.453 > 43 45 Cl 0.91408705844388 0.11012314454720 0.27823045487154 35.453 > 45 46 Cl 0.91408705844388 0.61012314454720 0.27823045487154 35.453 > 45 47 Cl 0.08591294155612 0.11012314454720 0.22176954512846 35.453 > 47 48 Cl 0.08591294155612 0.61012314454720 0.22176954512846 35.453 > 47 49 Cl 0.93122698136935 0.39197452716128 0.32074557551754 35.453 > 49 50 Cl 0.93122698136935 0.89197452716128 0.32074557551754 35.453 > 49 51 Cl 0.06877301863065 0.39197452716128 0.17925442448246 35.453 > 51 52 Cl 0.06877301863065 0.89197452716128 0.17925442448246 35.453 > 51 53 Cl 0.06877301863065 0.10802547283872 0.67925442448246 35.453 > 53 54 Cl 0.06877301863065 0.60802547283872 0.67925442448246 35.453 > 53 55 Cl 0.93122698136935 0.10802547283872 0.82074557551754 35.453 > 55 56 Cl 0.93122698136935 0.60802547283872 0.82074557551754 35.453 > 55 57 Cl 0.65157562860852 0.01890616428440 0.55069306766588 35.453 > 25 58 Cl 0.65157562860852 0.51890616428440 0.55069306766588 35.453 > 25 59 Cl 0.84842437139148 0.26890616428440 0.94930693233412 35.453 > 27 60 Cl 0.84842437139148 0.76890616428440 0.94930693233412 35.453 > 27 61 Cl 0.34842437139148 0.48109383571560 0.44930693233412 35.453 > 29 62 Cl 0.34842437139148 0.98109383571560 0.44930693233412 35.453 > 29 63 Cl 0.15157562860852 0.23109383571560 0.05069306766588 35.453 > 31 64 Cl 0.15157562860852 0.73109383571560 0.05069306766588 35.453 > 31 65 Cl 0.65390587333953 0.23347241493500 0.51852319916952 35.453 > 33 66 Cl 0.65390587333953 0.73347241493500 0.51852319916952 35.453 > 33 67 Cl 0.84609412666047 0.48347241493500 0.98147680083048 35.453 > 35 68 Cl 0.84609412666047 0.98347241493500 0.98147680083048 35.453 > 35 69 Cl 0.34609412666047 0.26652758506500 0.48147680083048 35.453 > 37 70 Cl 0.34609412666047 0.76652758506500 0.48147680083048 35.453 > 37 71 Cl 0.15390587333953 0.01652758506500 0.01852319916952 35.453 > 39 72 Cl 0.15390587333953 0.51652758506500 0.01852319916952 35.453 > 39 73 Cl 0.58591294155612 0.13987685545280 0.72176954512846 35.453 > 41 74 Cl 0.58591294155612 0.63987685545280 0.72176954512846 35.453 > 41 75 Cl 0.41408705844388 0.13987685545280 0.77823045487154 35.453 > 43 76 Cl 0.41408705844388 0.63987685545280 0.77823045487154 35.453 > 43 77 Cl 0.41408705844388 0.36012314454720 0.27823045487154 35.453 > 45 78 Cl 0.41408705844388 0.86012314454720 0.27823045487154 35.453 > 45 79 Cl 0.58591294155612 0.36012314454720 0.22176954512846 35.453 > 47 80 Cl 0.58591294155612 0.86012314454720 0.22176954512846 35.453 > 47 81 Cl 0.43122698136935 0.14197452716128 0.32074557551754 35.453 > 49 82 Cl 0.43122698136935 0.64197452716128 0.32074557551754 35.453 > 49 83 Cl 0.56877301863065 0.14197452716128 0.17925442448246 35.453 > 51 84 Cl 0.56877301863065 0.64197452716128 0.17925442448246 35.453 > 51 85 Cl 0.56877301863065 0.35802547283872 0.67925442448246 35.453 > 53 86 Cl 0.56877301863065 0.85802547283872 0.67925442448246 35.453 > 53 87 Cl 0.43122698136935 0.35802547283872 0.82074557551754 35.453 > 55 88 Cl 0.43122698136935 0.85802547283872 0.82074557551754 35.453 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4568785 0.0000000 -0.0992161 0.0000000 2.4645340 0.0000000 -0.0992165 0.0000000 2.4883619 -------------------------- Born effective charges -------------------------- 1 Mg 1.9339958 0.0000000 -0.2855693 0.0000000 1.9761743 0.0000000 -0.5003137 0.0000000 2.0748795 2 Mg 1.9339958 0.0000000 -0.2855693 0.0000000 1.9761743 0.0000000 -0.5003137 0.0000000 2.0748795 3 Al 2.1161285 -0.0803536 -0.3515540 -0.2124837 2.3175454 -0.0442867 -0.2067667 -0.3315662 2.3415799 4 Al 2.1161285 0.0803536 -0.3515540 0.2124837 2.3175454 0.0442867 -0.2067667 0.3315662 2.3415799 5 Al 2.1161285 -0.0803536 -0.3515540 -0.2124837 2.3175454 -0.0442867 -0.2067667 -0.3315662 2.3415799 6 Al 2.1161285 0.0803536 -0.3515540 0.2124837 2.3175454 0.0442867 -0.2067667 0.3315662 2.3415799 7 Cl -0.6951524 0.3156316 -0.0162609 0.3191943 -1.1025035 0.0673092 -0.0480115 0.1380171 -0.5143225 8 Cl -0.6951524 -0.3156316 -0.0162609 -0.3191943 -1.1025035 -0.0673092 -0.0480115 -0.1380171 -0.5143225 9 Cl -0.6951524 0.3156316 -0.0162609 0.3191943 -1.1025035 0.0673092 -0.0480115 0.1380171 -0.5143225 10 Cl -0.6951524 -0.3156316 -0.0162609 -0.3191943 -1.1025035 -0.0673092 -0.0480115 -0.1380171 -0.5143225 11 Cl -0.6701752 -0.3359975 0.0461908 -0.2767746 -0.8823253 0.1581581 0.0397152 0.1998803 -0.8357486 12 Cl -0.6701752 0.3359975 0.0461908 0.2767746 -0.8823253 -0.1581581 0.0397152 -0.1998803 -0.8357486 13 Cl -0.6701752 -0.3359975 0.0461908 -0.2767746 -0.8823253 0.1581581 0.0397152 0.1998803 -0.8357486 14 Cl -0.6701752 0.3359975 0.0461908 0.2767746 -0.8823253 -0.1581581 0.0397152 -0.1998803 -0.8357486 15 Cl -1.0567383 0.3636655 0.5647958 0.3638778 -0.6948227 -0.1773684 0.5601356 -0.1522773 -0.9570689 16 Cl -1.0567383 -0.3636655 0.5647958 -0.3638778 -0.6948227 0.1773684 0.5601356 0.1522773 -0.9570689 17 Cl -1.0567383 0.3636655 0.5647958 0.3638778 -0.6948227 -0.1773684 0.5601356 -0.1522773 -0.9570689 18 Cl -1.0567383 -0.3636655 0.5647958 -0.3638778 -0.6948227 0.1773684 0.5601356 0.1522773 -0.9570689 19 Cl -0.6610604 -0.1007548 -0.1003871 -0.1075709 -0.6259810 0.1591481 -0.0949157 0.2209183 -1.0718796 20 Cl -0.6610604 0.1007548 -0.1003871 0.1075709 -0.6259810 -0.1591481 -0.0949157 -0.2209183 -1.0718796 21 Cl -0.6610604 -0.1007548 -0.1003871 -0.1075709 -0.6259810 0.1591481 -0.0949157 0.2209183 -1.0718796 22 Cl -0.6610604 0.1007548 -0.1003871 0.1075709 -0.6259810 -0.1591481 -0.0949157 -0.2209183 -1.0718796 ---------------------------------------------------------------------------- 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 10:34:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:34:51]------------------------- 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/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.559874391666925 -4.149189794999999 0.000000000000000 b 8.559874391666925 4.149189794999999 0.000000000000000 c -7.351187714332518 0.000000000000000 8.926880385294073 Atomic positions (fractional): 1 Mg 0.99619159209641 0.00380840790359 0.75000000000000 24.305 2 Mg 0.00380840790359 0.99619159209641 0.25000000000000 24.305 3 Al 0.32697570577410 0.84007030032750 0.53220065091205 26.982 4 Al 0.15992969967250 0.67302429422590 0.96779934908795 26.982 5 Al 0.67302429422590 0.15992969967250 0.46779934908795 26.982 6 Al 0.84007030032750 0.32697570577410 0.03220065091205 26.982 7 Cl 0.61376330003972 0.68938795717732 0.55069306766588 35.453 8 Cl 0.31061204282268 0.38623669996028 0.94930693233412 35.453 9 Cl 0.38623669996028 0.31061204282268 0.44930693233412 35.453 10 Cl 0.68938795717732 0.61376330003972 0.05069306766588 35.453 11 Cl 0.18696104346953 0.12085070320954 0.51852319916952 35.453 12 Cl 0.87914929679046 0.81303895653047 0.98147680083048 35.453 13 Cl 0.81303895653047 0.87914929679046 0.48147680083048 35.453 14 Cl 0.12085070320954 0.18696104346953 0.01852319916952 35.453 15 Cl 0.30615923065051 0.86566665246173 0.72176954512846 35.453 16 Cl 0.13433334753827 0.69384076934949 0.77823045487154 35.453 17 Cl 0.69384076934949 0.13433334753827 0.27823045487154 35.453 18 Cl 0.86566665246173 0.30615923065051 0.22176954512846 35.453 19 Cl 0.14727792704679 0.71517603569191 0.32074557551754 35.453 20 Cl 0.28482396430809 0.85272207295321 0.17925442448246 35.453 21 Cl 0.85272207295321 0.28482396430809 0.67925442448246 35.453 22 Cl 0.71517603569191 0.14727792704679 0.82074557551754 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.119748783333851 0.000000000000000 0.000000000000000 b 0.000000000000000 16.596759179999996 0.000000000000000 c -7.351187714332518 0.000000000000000 8.926880385294073 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00190420395179 0.75000000000000 24.305 > 1 2 Mg 0.00000000000000 0.50190420395179 0.75000000000000 24.305 > 1 3 Mg 0.00000000000000 0.49809579604821 0.25000000000000 24.305 > 3 4 Mg 0.00000000000000 0.99809579604821 0.25000000000000 24.305 > 3 5 Mg 0.50000000000000 0.25190420395179 0.75000000000000 24.305 > 1 6 Mg 0.50000000000000 0.75190420395179 0.75000000000000 24.305 > 1 7 Mg 0.50000000000000 0.24809579604821 0.25000000000000 24.305 > 3 8 Mg 0.50000000000000 0.74809579604821 0.25000000000000 24.305 > 3 9 Al 0.08352300305080 0.37827364863835 0.53220065091205 26.982 > 9 10 Al 0.08352300305080 0.87827364863835 0.53220065091205 26.982 > 9 11 Al 0.41647699694920 0.12827364863835 0.96779934908795 26.982 > 11 12 Al 0.41647699694920 0.62827364863835 0.96779934908795 26.982 > 11 13 Al 0.91647699694920 0.12172635136165 0.46779934908795 26.982 > 13 14 Al 0.91647699694920 0.62172635136165 0.46779934908795 26.982 > 13 15 Al 0.58352300305080 0.37172635136165 0.03220065091205 26.982 > 15 16 Al 0.58352300305080 0.87172635136165 0.03220065091205 26.982 > 15 17 Al 0.58352300305080 0.12827364863835 0.53220065091205 26.982 > 9 18 Al 0.58352300305080 0.62827364863835 0.53220065091205 26.982 > 9 19 Al 0.91647699694920 0.37827364863835 0.96779934908795 26.982 > 11 20 Al 0.91647699694920 0.87827364863835 0.96779934908795 26.982 > 11 21 Al 0.41647699694920 0.37172635136165 0.46779934908795 26.982 > 13 22 Al 0.41647699694920 0.87172635136165 0.46779934908795 26.982 > 13 23 Al 0.08352300305080 0.12172635136165 0.03220065091205 26.982 > 15 24 Al 0.08352300305080 0.62172635136165 0.03220065091205 26.982 > 15 25 Cl 0.15157562860852 0.26890616428440 0.55069306766588 35.453 > 25 26 Cl 0.15157562860852 0.76890616428440 0.55069306766588 35.453 > 25 27 Cl 0.34842437139148 0.01890616428440 0.94930693233412 35.453 > 27 28 Cl 0.34842437139148 0.51890616428440 0.94930693233412 35.453 > 27 29 Cl 0.84842437139148 0.23109383571560 0.44930693233412 35.453 > 29 30 Cl 0.84842437139148 0.73109383571560 0.44930693233412 35.453 > 29 31 Cl 0.65157562860852 0.48109383571560 0.05069306766588 35.453 > 31 32 Cl 0.65157562860852 0.98109383571560 0.05069306766588 35.453 > 31 33 Cl 0.15390587333953 0.48347241493500 0.51852319916952 35.453 > 33 34 Cl 0.15390587333953 0.98347241493500 0.51852319916952 35.453 > 33 35 Cl 0.34609412666047 0.23347241493500 0.98147680083048 35.453 > 35 36 Cl 0.34609412666047 0.73347241493500 0.98147680083048 35.453 > 35 37 Cl 0.84609412666047 0.01652758506500 0.48147680083048 35.453 > 37 38 Cl 0.84609412666047 0.51652758506500 0.48147680083048 35.453 > 37 39 Cl 0.65390587333953 0.26652758506500 0.01852319916952 35.453 > 39 40 Cl 0.65390587333953 0.76652758506500 0.01852319916952 35.453 > 39 41 Cl 0.08591294155612 0.38987685545280 0.72176954512846 35.453 > 41 42 Cl 0.08591294155612 0.88987685545280 0.72176954512846 35.453 > 41 43 Cl 0.91408705844388 0.38987685545280 0.77823045487154 35.453 > 43 44 Cl 0.91408705844388 0.88987685545280 0.77823045487154 35.453 > 43 45 Cl 0.91408705844388 0.11012314454720 0.27823045487154 35.453 > 45 46 Cl 0.91408705844388 0.61012314454720 0.27823045487154 35.453 > 45 47 Cl 0.08591294155612 0.11012314454720 0.22176954512846 35.453 > 47 48 Cl 0.08591294155612 0.61012314454720 0.22176954512846 35.453 > 47 49 Cl 0.93122698136935 0.39197452716128 0.32074557551754 35.453 > 49 50 Cl 0.93122698136935 0.89197452716128 0.32074557551754 35.453 > 49 51 Cl 0.06877301863065 0.39197452716128 0.17925442448246 35.453 > 51 52 Cl 0.06877301863065 0.89197452716128 0.17925442448246 35.453 > 51 53 Cl 0.06877301863065 0.10802547283872 0.67925442448246 35.453 > 53 54 Cl 0.06877301863065 0.60802547283872 0.67925442448246 35.453 > 53 55 Cl 0.93122698136935 0.10802547283872 0.82074557551754 35.453 > 55 56 Cl 0.93122698136935 0.60802547283872 0.82074557551754 35.453 > 55 57 Cl 0.65157562860852 0.01890616428440 0.55069306766588 35.453 > 25 58 Cl 0.65157562860852 0.51890616428440 0.55069306766588 35.453 > 25 59 Cl 0.84842437139148 0.26890616428440 0.94930693233412 35.453 > 27 60 Cl 0.84842437139148 0.76890616428440 0.94930693233412 35.453 > 27 61 Cl 0.34842437139148 0.48109383571560 0.44930693233412 35.453 > 29 62 Cl 0.34842437139148 0.98109383571560 0.44930693233412 35.453 > 29 63 Cl 0.15157562860852 0.23109383571560 0.05069306766588 35.453 > 31 64 Cl 0.15157562860852 0.73109383571560 0.05069306766588 35.453 > 31 65 Cl 0.65390587333953 0.23347241493500 0.51852319916952 35.453 > 33 66 Cl 0.65390587333953 0.73347241493500 0.51852319916952 35.453 > 33 67 Cl 0.84609412666047 0.48347241493500 0.98147680083048 35.453 > 35 68 Cl 0.84609412666047 0.98347241493500 0.98147680083048 35.453 > 35 69 Cl 0.34609412666047 0.26652758506500 0.48147680083048 35.453 > 37 70 Cl 0.34609412666047 0.76652758506500 0.48147680083048 35.453 > 37 71 Cl 0.15390587333953 0.01652758506500 0.01852319916952 35.453 > 39 72 Cl 0.15390587333953 0.51652758506500 0.01852319916952 35.453 > 39 73 Cl 0.58591294155612 0.13987685545280 0.72176954512846 35.453 > 41 74 Cl 0.58591294155612 0.63987685545280 0.72176954512846 35.453 > 41 75 Cl 0.41408705844388 0.13987685545280 0.77823045487154 35.453 > 43 76 Cl 0.41408705844388 0.63987685545280 0.77823045487154 35.453 > 43 77 Cl 0.41408705844388 0.36012314454720 0.27823045487154 35.453 > 45 78 Cl 0.41408705844388 0.86012314454720 0.27823045487154 35.453 > 45 79 Cl 0.58591294155612 0.36012314454720 0.22176954512846 35.453 > 47 80 Cl 0.58591294155612 0.86012314454720 0.22176954512846 35.453 > 47 81 Cl 0.43122698136935 0.14197452716128 0.32074557551754 35.453 > 49 82 Cl 0.43122698136935 0.64197452716128 0.32074557551754 35.453 > 49 83 Cl 0.56877301863065 0.14197452716128 0.17925442448246 35.453 > 51 84 Cl 0.56877301863065 0.64197452716128 0.17925442448246 35.453 > 51 85 Cl 0.56877301863065 0.35802547283872 0.67925442448246 35.453 > 53 86 Cl 0.56877301863065 0.85802547283872 0.67925442448246 35.453 > 53 87 Cl 0.43122698136935 0.35802547283872 0.82074557551754 35.453 > 55 88 Cl 0.43122698136935 0.85802547283872 0.82074557551754 35.453 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4568785 0.0000000 -0.0992161 0.0000000 2.4645340 0.0000000 -0.0992165 0.0000000 2.4883619 -------------------------- Born effective charges -------------------------- 1 Mg 1.9339958 0.0000000 -0.2855693 0.0000000 1.9761743 0.0000000 -0.5003137 0.0000000 2.0748795 2 Mg 1.9339958 0.0000000 -0.2855693 0.0000000 1.9761743 0.0000000 -0.5003137 0.0000000 2.0748795 3 Al 2.1161285 -0.0803536 -0.3515540 -0.2124837 2.3175454 -0.0442867 -0.2067667 -0.3315662 2.3415799 4 Al 2.1161285 0.0803536 -0.3515540 0.2124837 2.3175454 0.0442867 -0.2067667 0.3315662 2.3415799 5 Al 2.1161285 -0.0803536 -0.3515540 -0.2124837 2.3175454 -0.0442867 -0.2067667 -0.3315662 2.3415799 6 Al 2.1161285 0.0803536 -0.3515540 0.2124837 2.3175454 0.0442867 -0.2067667 0.3315662 2.3415799 7 Cl -0.6951524 0.3156316 -0.0162609 0.3191943 -1.1025035 0.0673092 -0.0480115 0.1380171 -0.5143225 8 Cl -0.6951524 -0.3156316 -0.0162609 -0.3191943 -1.1025035 -0.0673092 -0.0480115 -0.1380171 -0.5143225 9 Cl -0.6951524 0.3156316 -0.0162609 0.3191943 -1.1025035 0.0673092 -0.0480115 0.1380171 -0.5143225 10 Cl -0.6951524 -0.3156316 -0.0162609 -0.3191943 -1.1025035 -0.0673092 -0.0480115 -0.1380171 -0.5143225 11 Cl -0.6701752 -0.3359975 0.0461908 -0.2767746 -0.8823253 0.1581581 0.0397152 0.1998803 -0.8357486 12 Cl -0.6701752 0.3359975 0.0461908 0.2767746 -0.8823253 -0.1581581 0.0397152 -0.1998803 -0.8357486 13 Cl -0.6701752 -0.3359975 0.0461908 -0.2767746 -0.8823253 0.1581581 0.0397152 0.1998803 -0.8357486 14 Cl -0.6701752 0.3359975 0.0461908 0.2767746 -0.8823253 -0.1581581 0.0397152 -0.1998803 -0.8357486 15 Cl -1.0567383 0.3636655 0.5647958 0.3638778 -0.6948227 -0.1773684 0.5601356 -0.1522773 -0.9570689 16 Cl -1.0567383 -0.3636655 0.5647958 -0.3638778 -0.6948227 0.1773684 0.5601356 0.1522773 -0.9570689 17 Cl -1.0567383 0.3636655 0.5647958 0.3638778 -0.6948227 -0.1773684 0.5601356 -0.1522773 -0.9570689 18 Cl -1.0567383 -0.3636655 0.5647958 -0.3638778 -0.6948227 0.1773684 0.5601356 0.1522773 -0.9570689 19 Cl -0.6610604 -0.1007548 -0.1003871 -0.1075709 -0.6259810 0.1591481 -0.0949157 0.2209183 -1.0718796 20 Cl -0.6610604 0.1007548 -0.1003871 0.1075709 -0.6259810 -0.1591481 -0.0949157 -0.2209183 -1.0718796 21 Cl -0.6610604 -0.1007548 -0.1003871 -0.1075709 -0.6259810 0.1591481 -0.0949157 0.2209183 -1.0718796 22 Cl -0.6610604 0.1007548 -0.1003871 0.1075709 -0.6259810 -0.1591481 -0.0949157 -0.2209183 -1.0718796 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 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: 0.48, Number of G-points: 311, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.595 ( 0.000 0.000 0.000) 0.000 1.077 ( 0.000 0.000 0.000) 0.000 1.223 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.415 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.370 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.059 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.435 ( 0.000 0.000 0.000) 0.000 13.492 ( 0.000 0.000 0.000) 0.000 13.913 ( 0.000 0.000 0.000) 0.000 13.928 ( 0.000 0.000 0.000) 0.000 14.185 ( 0.000 0.000 0.000) 0.000 14.590 ( 0.000 0.000 0.000) 0.000 16.206 ( 0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 0.000) 0.000 16.330 ( 0.000 0.000 0.000) 0.000 16.389 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.107 ( 8.530 -5.480 -6.429) 12.006 0.230 ( -3.199 -10.269 11.572) 15.799 0.300 ( 7.764 -12.346 1.875) 14.704 0.606 ( -0.476 -1.777 -1.123) 2.155 1.086 ( 1.743 -0.465 -0.230) 1.818 1.243 ( -3.092 1.595 3.430) 4.886 1.258 ( 2.145 0.838 -0.729) 2.415 1.328 ( 2.024 0.599 -3.309) 3.925 1.367 ( -0.425 5.526 1.423) 5.722 1.563 ( 0.067 -0.341 -0.462) 0.578 1.663 ( 0.550 -1.276 -0.001) 1.389 1.768 ( 0.303 1.683 -1.247) 2.116 1.950 ( -0.105 0.547 -0.081) 0.563 1.963 ( -0.550 -0.290 1.042) 1.214 2.205 ( -0.680 -0.304 0.149) 0.760 2.266 ( 3.011 1.224 -2.678) 4.211 2.307 ( -1.321 3.872 1.057) 4.226 2.372 ( -1.656 0.573 0.784) 1.920 2.427 ( 0.322 -0.122 -0.532) 0.634 2.725 ( -0.297 -0.505 0.129) 0.600 2.781 ( -1.031 -0.831 0.402) 1.384 2.995 ( 2.826 1.073 -1.222) 3.260 3.112 ( -0.288 -0.067 -0.524) 0.601 3.281 ( 0.124 -0.151 0.188) 0.271 3.341 ( -0.571 -0.425 -0.014) 0.712 3.397 ( -0.620 -0.671 -0.403) 0.999 3.491 ( 1.643 0.450 -0.032) 1.703 3.804 ( 0.006 -0.216 -0.299) 0.369 3.897 ( 0.499 0.006 -0.398) 0.638 4.090 ( -0.183 2.206 0.580) 2.288 4.190 ( -1.257 -1.202 1.837) 2.530 4.446 ( 2.097 -0.249 -1.033) 2.351 4.661 ( -1.376 -1.133 -1.188) 2.142 4.734 ( -0.181 -1.125 0.265) 1.170 4.786 ( 0.305 -0.731 -0.302) 0.848 5.027 ( 1.926 -0.798 -3.907) 4.428 5.058 ( -0.484 0.038 2.660) 2.704 5.127 ( -0.403 -0.260 -0.457) 0.663 5.188 ( -0.100 0.648 -0.407) 0.772 5.597 ( -0.651 0.947 0.655) 1.323 6.001 ( 0.549 0.060 -0.948) 1.097 6.133 ( -0.605 -1.316 0.216) 1.464 6.376 ( -0.639 -0.029 0.762) 0.995 6.871 ( 0.060 0.081 0.273) 0.291 7.507 ( 3.707 1.372 -3.488) 5.272 7.815 ( 0.522 1.253 -0.240) 1.378 8.027 ( 0.122 -0.519 0.061) 0.536 8.374 ( 0.375 -1.266 -1.143) 1.746 8.582 ( 1.052 1.468 2.140) 2.801 8.748 ( -14.280 -5.345 1.493) 15.321 10.006 ( -0.046 0.347 0.293) 0.457 10.068 ( -0.019 -0.312 0.123) 0.336 10.129 ( -2.479 -2.175 -3.055) 4.495 10.191 ( -0.167 0.108 0.179) 0.268 12.955 ( 0.265 0.372 0.303) 0.548 13.409 ( 0.036 1.877 0.151) 1.884 13.470 ( -6.213 -3.989 0.062) 7.384 13.661 ( 16.193 3.284 -16.971) 23.686 13.907 ( -0.568 1.167 -2.062) 2.436 14.013 ( -2.563 9.126 24.663) 26.422 14.207 ( 0.364 -2.140 0.293) 2.191 14.601 ( 1.754 1.554 2.921) 3.745 16.217 ( 0.300 -0.393 0.619) 0.792 16.315 ( 1.426 0.584 0.143) 1.548 16.409 ( -1.678 -2.888 -0.647) 3.403 16.917 ( -12.346 -9.563 -11.413) 19.343 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( 7.456 -4.952 -2.118) 9.198 0.449 ( -2.520 -9.421 8.659) 13.041 0.565 ( 5.649 -9.913 1.580) 11.519 0.628 ( -1.678 -3.067 -1.992) 4.023 1.118 ( 1.888 -0.916 0.064) 2.100 1.151 ( 2.173 5.954 -1.948) 6.631 1.245 ( -2.880 5.548 2.933) 6.905 1.304 ( -4.859 1.629 6.040) 7.921 1.327 ( 6.619 -1.881 -6.283) 9.318 1.571 ( 0.220 -0.983 -0.631) 1.188 1.683 ( 0.140 -0.553 0.293) 0.641 1.727 ( 0.871 2.078 -1.813) 2.892 1.939 ( -0.142 0.498 -0.101) 0.527 1.973 ( -0.654 -0.467 1.223) 1.463 2.183 ( 1.104 2.639 -3.763) 4.727 2.234 ( -3.481 2.088 5.404) 6.759 2.259 ( 3.350 1.453 -3.837) 5.297 2.339 ( -1.360 1.627 -0.242) 2.135 2.425 ( 0.040 0.097 -0.434) 0.447 2.738 ( -0.194 -0.908 0.627) 1.120 2.788 ( -0.801 -0.523 0.144) 0.967 2.993 ( 1.097 0.372 -0.574) 1.293 3.105 ( -0.382 0.070 -0.552) 0.675 3.284 ( 0.251 0.257 0.354) 0.504 3.342 ( -0.329 -0.104 0.038) 0.347 3.406 ( -0.474 -1.411 -0.684) 1.638 3.496 ( 0.736 0.313 0.202) 0.825 3.809 ( 0.208 -0.321 0.290) 0.480 3.895 ( 0.743 0.365 -0.881) 1.208 4.066 ( -0.380 0.723 0.679) 1.062 4.203 ( -0.714 -0.325 0.454) 0.906 4.463 ( 1.098 -0.407 -0.180) 1.184 4.662 ( -1.054 -0.753 -0.205) 1.311 4.751 ( 0.157 -0.623 0.196) 0.672 4.807 ( 0.344 -1.550 -0.618) 1.704 5.039 ( 2.774 -1.240 -3.772) 4.844 5.064 ( -0.315 0.672 1.534) 1.704 5.121 ( -1.019 0.014 -0.509) 1.140 5.176 ( -0.110 0.333 0.248) 0.430 5.577 ( -0.678 1.186 0.695) 1.533 5.999 ( 0.585 0.013 -1.024) 1.180 6.158 ( -0.459 -1.825 -0.043) 1.882 6.375 ( -0.740 0.069 0.904) 1.170 6.872 ( 0.087 0.088 0.356) 0.377 7.487 ( 1.213 1.230 -1.391) 2.218 7.791 ( 0.623 1.717 -0.288) 1.849 8.041 ( 0.244 -0.716 0.115) 0.766 8.397 ( 0.583 -1.485 -0.518) 1.678 8.576 ( 1.118 2.299 2.657) 3.688 8.726 ( -6.333 -1.510 0.199) 6.513 10.001 ( -0.052 0.365 0.347) 0.506 10.075 ( 0.015 -0.319 0.155) 0.355 10.124 ( -0.847 -0.717 -1.478) 1.848 10.189 ( -0.232 0.139 0.263) 0.377 12.953 ( 0.356 0.440 0.407) 0.697 13.383 ( 0.274 1.415 0.475) 1.517 13.478 ( -4.237 -2.022 -0.010) 4.695 13.617 ( 5.498 2.675 -6.179) 8.692 13.861 ( -0.478 1.390 -2.603) 2.989 14.002 ( -0.473 3.979 8.989) 9.842 14.261 ( 0.333 -3.237 0.361) 3.274 14.602 ( 2.155 2.864 3.450) 4.975 16.219 ( -0.669 0.333 0.438) 0.866 16.347 ( 4.036 -1.003 0.766) 4.228 16.439 ( -3.122 -3.208 -0.744) 4.538 16.892 ( -5.643 -3.176 -5.553) 8.530 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 3.490 -2.150 -0.065) 4.100 0.603 ( -1.166 -4.499 3.293) 5.695 0.651 ( -1.159 -1.892 -1.003) 2.435 0.733 ( 1.963 -4.267 0.592) 4.734 1.054 ( 0.382 3.656 -0.657) 3.734 1.133 ( 0.859 1.777 -0.706) 2.096 1.202 ( 0.002 -1.126 2.071) 2.357 1.254 ( -0.570 2.960 -0.285) 3.027 1.373 ( 0.722 -1.268 -0.101) 1.463 1.589 ( 0.201 -0.848 -0.255) 0.908 1.690 ( -1.319 -0.201 1.441) 1.964 1.697 ( 1.796 1.007 -2.134) 2.965 1.931 ( -0.095 0.207 -0.022) 0.229 1.982 ( -0.283 -0.277 0.508) 0.645 2.117 ( 0.335 2.210 -1.461) 2.670 2.219 ( -1.958 0.544 2.252) 3.033 2.242 ( 1.677 0.496 -1.813) 2.519 2.306 ( -0.275 0.815 -0.391) 0.945 2.421 ( -0.001 0.097 -0.172) 0.197 2.755 ( -0.038 -0.497 0.517) 0.719 2.787 ( -0.345 -0.097 -0.209) 0.415 2.993 ( 0.343 0.060 -0.185) 0.394 3.098 ( -0.185 0.075 -0.220) 0.297 3.281 ( 0.131 0.304 0.149) 0.363 3.341 ( -0.119 -0.044 0.009) 0.127 3.423 ( -0.003 -0.962 -0.435) 1.056 3.495 ( 0.105 0.308 0.189) 0.377 3.818 ( 0.035 -0.194 0.307) 0.365 3.888 ( 0.391 0.247 -0.529) 0.703 4.063 ( -0.208 -0.065 0.302) 0.373 4.201 ( -0.246 0.061 0.091) 0.269 4.472 ( 0.311 -0.082 0.007) 0.321 4.665 ( -0.499 -0.373 0.160) 0.643 4.761 ( 0.248 -0.216 -0.005) 0.328 4.827 ( 0.126 -0.726 -0.329) 0.807 5.050 ( 0.708 0.169 -0.981) 1.222 5.064 ( 1.097 -0.470 -0.694) 1.380 5.106 ( -1.143 0.343 0.222) 1.213 5.176 ( -0.045 -0.044 0.332) 0.338 5.560 ( -0.264 0.509 0.260) 0.630 5.997 ( 0.228 -0.016 -0.399) 0.460 6.180 ( -0.153 -0.868 -0.052) 0.883 6.374 ( -0.327 0.050 0.376) 0.501 6.874 ( 0.044 0.034 0.165) 0.174 7.471 ( 0.294 0.507 -0.412) 0.716 7.770 ( 0.269 0.831 -0.124) 0.882 8.053 ( 0.140 -0.340 0.066) 0.374 8.421 ( 0.366 -0.882 -0.276) 0.993 8.562 ( 0.375 1.323 1.259) 1.864 8.704 ( -2.055 -0.256 -0.050) 2.071 9.998 ( -0.020 0.145 0.150) 0.210 10.080 ( 0.001 -0.127 0.082) 0.151 10.120 ( -0.198 -0.181 -0.514) 0.580 10.187 ( -0.111 0.062 0.132) 0.184 12.951 ( 0.169 0.187 0.193) 0.317 13.372 ( 0.151 0.466 0.278) 0.563 13.473 ( -1.628 -0.526 -0.129) 1.716 13.586 ( 1.404 1.002 -1.635) 2.376 13.826 ( -0.183 0.593 -1.136) 1.294 13.994 ( -0.025 1.246 2.502) 2.795 14.313 ( 0.080 -1.858 0.100) 1.862 14.589 ( 0.958 1.785 1.525) 2.536 16.210 ( -0.370 0.183 0.153) 0.440 16.402 ( 3.622 -0.360 0.609) 3.690 16.452 ( -2.997 -1.759 -0.352) 3.493 16.864 ( -1.940 -0.649 -2.014) 2.871 ======================= Grid point 8 (5/88) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.068 ( -1.935 -0.000 7.718) 7.956 0.254 ( 2.413 0.000 15.051) 15.243 0.289 ( 15.403 0.000 1.585) 15.484 0.577 ( -0.459 -0.000 -1.977) 2.030 1.101 ( 2.712 0.000 -0.133) 2.715 1.237 ( -4.353 -0.000 7.030) 8.268 1.312 ( 1.903 0.000 -0.582) 1.990 1.318 ( 5.144 0.000 -7.176) 8.829 1.422 ( -2.206 -0.000 0.801) 2.346 1.557 ( 0.022 0.000 -0.779) 0.780 1.655 ( 1.175 0.000 0.014) 1.175 1.772 ( 0.553 0.000 -2.228) 2.296 1.957 ( -0.690 -0.000 0.933) 1.160 1.962 ( -0.616 -0.000 1.017) 1.189 2.200 ( -0.543 -0.000 0.604) 0.812 2.277 ( 4.503 0.000 -4.805) 6.585 2.349 ( -2.344 -0.000 2.031) 3.101 2.353 ( -3.965 -0.000 1.287) 4.168 2.425 ( 0.384 0.000 -0.786) 0.875 2.716 ( -0.330 -0.000 -0.446) 0.555 2.766 ( -1.212 -0.000 1.907) 2.260 3.030 ( 3.223 0.000 -4.027) 5.158 3.099 ( -0.678 -0.000 -1.253) 1.424 3.281 ( 0.156 0.000 0.129) 0.203 3.327 ( -0.359 -0.000 0.363) 0.510 3.393 ( 0.568 0.000 -0.867) 1.036 3.511 ( 1.906 0.000 -1.744) 2.584 3.797 ( 0.550 0.000 0.172) 0.576 3.905 ( 0.826 0.000 0.290) 0.876 4.119 ( -0.445 -0.000 0.513) 0.679 4.180 ( -3.815 -0.000 3.498) 5.176 4.455 ( 3.136 0.000 -3.214) 4.491 4.621 ( -0.365 -0.000 0.132) 0.388 4.721 ( -0.045 -0.000 -0.061) 0.076 4.781 ( -0.510 -0.000 0.591) 0.781 5.008 ( 2.048 0.000 -3.905) 4.410 5.067 ( -0.262 -0.000 2.076) 2.092 5.126 ( -0.490 -0.000 0.325) 0.588 5.204 ( -0.103 -0.000 1.133) 1.137 5.604 ( -1.181 -0.000 1.284) 1.745 5.999 ( 1.000 0.000 -1.848) 2.101 6.114 ( -1.363 -0.000 0.218) 1.381 6.375 ( -1.091 -0.000 1.516) 1.867 6.876 ( 0.115 0.000 0.525) 0.537 7.533 ( 7.311 0.000 -9.715) 12.159 7.831 ( 1.036 0.000 -0.622) 1.209 8.025 ( 0.187 0.000 0.218) 0.287 8.332 ( 0.394 0.000 -0.446) 0.595 8.556 ( -12.911 -0.000 14.751) 19.603 8.636 ( 2.029 0.000 5.010) 5.405 10.011 ( -0.422 -0.000 0.952) 1.041 10.061 ( 0.450 0.000 -0.237) 0.509 10.069 ( 0.876 0.000 -1.022) 1.347 10.192 ( -0.316 -0.000 0.346) 0.469 12.976 ( 0.952 0.000 1.567) 1.834 13.382 ( -1.651 -0.000 -0.932) 1.896 13.420 ( -0.888 -0.000 -1.044) 1.371 13.689 ( 12.408 0.000 -17.221) 21.226 13.888 ( -1.899 -0.000 -2.685) 3.289 14.189 ( 2.047 0.000 -2.028) 2.882 14.308 ( -17.444 -0.000 18.287) 25.273 14.671 ( 4.013 0.000 5.804) 7.056 16.235 ( 2.061 0.000 1.368) 2.473 16.312 ( -2.068 -0.000 0.095) 2.070 16.380 ( 0.791 0.000 -2.227) 2.363 16.565 ( 1.573 0.000 -1.732) 2.340 ======================= Grid point 9 (6/88) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( 3.435 -7.539 4.192) 9.285 0.423 ( 2.048 -2.768 12.935) 13.386 0.470 ( 9.471 -7.089 0.405) 11.838 0.569 ( -0.253 -1.586 -2.153) 2.686 1.128 ( 3.054 -0.397 -0.227) 3.088 1.239 ( -4.628 2.797 5.022) 7.380 1.291 ( 1.135 0.599 1.197) 1.755 1.323 ( 6.754 0.852 -7.858) 10.397 1.364 ( -2.541 4.012 1.996) 5.151 1.555 ( 0.045 -0.487 -0.729) 0.878 1.676 ( 0.930 -0.830 0.072) 1.249 1.750 ( 1.020 1.261 -2.664) 3.119 1.950 ( -0.517 0.729 0.751) 1.167 1.967 ( -0.960 -0.399 1.343) 1.698 2.193 ( -0.481 0.717 -0.504) 1.000 2.278 ( 5.254 0.661 -5.968) 7.979 2.295 ( -3.279 3.145 3.025) 5.458 2.340 ( -2.573 0.598 0.381) 2.669 2.422 ( -0.082 -0.056 -0.610) 0.618 2.721 ( -0.241 -1.161 -0.045) 1.187 2.774 ( -1.470 -0.400 1.689) 2.275 3.014 ( 1.777 1.247 -1.546) 2.665 3.088 ( -0.836 -0.516 -1.360) 1.678 3.286 ( 0.020 -0.348 0.238) 0.422 3.333 ( -0.514 -0.547 0.343) 0.825 3.390 ( 0.661 0.066 -0.662) 0.938 3.510 ( 1.174 0.437 -0.628) 1.402 3.808 ( 0.563 -0.357 0.140) 0.681 3.909 ( 1.124 0.654 0.023) 1.301 4.091 ( -0.696 2.074 0.573) 2.262 4.186 ( -1.734 -1.076 1.290) 2.414 4.463 ( 1.733 -0.383 -1.320) 2.212 4.632 ( -0.574 -1.219 -0.457) 1.423 4.734 ( -0.344 -1.329 0.418) 1.435 4.785 ( -0.094 -0.666 -0.049) 0.675 5.013 ( 2.604 -1.256 -3.474) 4.519 5.080 ( -0.172 -0.067 1.136) 1.151 5.120 ( -0.323 0.526 0.235) 0.661 5.192 ( 0.163 1.497 0.814) 1.712 5.595 ( -1.315 0.895 1.375) 2.103 5.994 ( 0.977 -0.059 -1.925) 2.159 6.118 ( -1.145 -1.673 -0.130) 2.032 6.376 ( -1.280 0.018 1.539) 2.002 6.879 ( 0.124 0.165 0.579) 0.615 7.511 ( 2.783 1.408 -3.757) 4.883 7.823 ( 1.076 1.289 -0.681) 1.812 8.033 ( 0.319 -0.518 0.219) 0.647 8.369 ( 0.974 -2.591 -0.855) 2.897 8.597 ( -8.149 -4.774 3.754) 10.163 8.670 ( 1.872 2.875 6.076) 6.978 10.011 ( -0.329 0.428 0.866) 1.021 10.070 ( 0.044 -0.359 0.183) 0.405 10.084 ( 0.135 -1.638 -1.357) 2.131 10.191 ( -0.379 0.100 0.423) 0.577 12.981 ( 1.076 1.426 1.500) 2.333 13.395 ( -2.865 -3.337 -0.847) 4.479 13.397 ( -0.979 0.635 -0.937) 1.497 13.654 ( 5.839 1.853 -9.111) 10.979 13.848 ( -1.576 0.424 -3.043) 3.453 14.161 ( -1.575 6.127 3.456) 7.209 14.237 ( -3.271 0.490 6.543) 7.331 14.722 ( 4.160 3.339 6.285) 8.244 16.241 ( 0.924 1.870 0.850) 2.252 16.314 ( -3.129 -2.371 -0.267) 3.935 16.386 ( 2.670 -2.007 -1.232) 3.560 16.688 ( -2.948 -9.758 -3.800) 10.879 ======================= Grid point 10 (7/88) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 7.043 -3.725 3.019) 8.520 0.515 ( -2.533 -3.522 1.255) 4.516 0.613 ( 0.337 -3.940 6.572) 7.670 0.673 ( 5.198 -5.847 -0.165) 7.826 1.132 ( -1.334 3.986 1.243) 4.383 1.177 ( 4.835 1.762 -3.410) 6.173 1.235 ( -2.932 4.622 2.944) 6.215 1.304 ( -1.233 3.090 1.265) 3.559 1.353 ( 3.136 -1.935 -2.032) 4.208 1.567 ( 0.227 -1.313 -0.400) 1.391 1.687 ( -0.748 0.041 0.752) 1.062 1.719 ( 2.177 1.437 -2.753) 3.792 1.939 ( -0.191 0.605 0.516) 0.818 1.977 ( -0.638 -0.509 0.912) 1.223 2.153 ( 0.375 2.493 -2.214) 3.355 2.241 ( -3.453 2.272 3.878) 5.668 2.262 ( 3.130 1.339 -3.325) 4.758 2.309 ( -0.518 0.742 -1.426) 1.689 2.418 ( -0.143 -0.105 -0.438) 0.473 2.746 ( -0.073 -1.378 0.690) 1.542 2.776 ( -1.035 -0.212 0.650) 1.241 3.002 ( 0.866 0.674 -0.542) 1.224 3.084 ( -0.708 -0.704 -0.942) 1.372 3.289 ( -0.023 0.262 -0.011) 0.263 3.340 ( -0.166 -0.263 0.351) 0.469 3.399 ( 0.551 -1.094 -0.444) 1.303 3.506 ( 0.412 0.558 -0.113) 0.703 3.820 ( 0.347 -0.296 0.454) 0.644 3.901 ( 0.918 1.062 -0.424) 1.466 4.064 ( -0.706 0.624 0.334) 1.000 4.195 ( -0.759 -0.527 0.396) 1.006 4.473 ( 0.680 -0.179 -0.573) 0.908 4.647 ( -0.327 -1.214 -0.154) 1.267 4.755 ( -0.298 -0.789 0.528) 0.995 4.803 ( 0.223 -1.515 -0.671) 1.672 5.039 ( 2.476 -1.374 -2.692) 3.907 5.080 ( 0.228 0.737 0.731) 1.063 5.106 ( -0.439 0.718 0.195) 0.864 5.180 ( -0.170 0.477 0.561) 0.756 5.575 ( -0.788 1.107 0.865) 1.611 5.992 ( 0.485 -0.226 -1.203) 1.317 6.146 ( -0.646 -2.348 -0.214) 2.444 6.374 ( -0.907 0.066 0.947) 1.313 6.879 ( 0.055 0.291 0.378) 0.481 7.485 ( 0.951 1.204 -1.397) 2.076 7.799 ( 0.724 1.860 -0.341) 2.025 8.048 ( 0.356 -0.580 0.088) 0.686 8.415 ( 1.669 -1.341 0.640) 2.235 8.626 ( -3.652 -3.806 -1.492) 5.482 8.647 ( -0.155 4.774 5.140) 7.017 10.005 ( -0.268 0.502 0.502) 0.759 10.078 ( 0.093 -0.254 0.084) 0.283 10.101 ( -0.031 -1.208 -0.872) 1.490 10.188 ( -0.315 0.124 0.368) 0.500 12.970 ( 0.501 1.404 0.764) 1.675 13.371 ( -1.087 0.344 -1.047) 1.548 13.429 ( -1.707 -3.007 -0.003) 3.457 13.610 ( 2.108 1.798 -3.678) 4.605 13.816 ( -0.636 -0.069 -2.169) 2.261 14.071 ( -1.244 5.212 3.155) 6.218 14.274 ( -0.398 -2.331 1.255) 2.677 14.705 ( 2.898 6.199 4.377) 8.123 16.219 ( 0.244 1.065 -0.241) 1.119 16.325 ( -5.405 -3.278 -0.502) 6.341 16.458 ( 5.161 -2.143 -0.324) 5.597 16.776 ( -1.973 -5.809 -1.632) 6.348 ======================= Grid point 11 (8/88) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 1.178 3.959 0.105) 4.132 0.609 ( 1.070 -3.923 2.743) 4.905 0.697 ( 0.515 -0.016 4.047) 4.079 0.760 ( 1.694 -0.995 -1.530) 2.490 1.047 ( -0.680 3.193 0.122) 3.267 1.140 ( 0.781 2.873 -0.372) 3.000 1.221 ( 0.013 -1.640 0.853) 1.848 1.235 ( -0.653 3.983 -1.039) 4.168 1.382 ( 0.487 -0.219 -0.167) 0.559 1.590 ( 0.093 -0.831 0.018) 0.836 1.683 ( -1.257 -0.290 0.854) 1.547 1.701 ( 1.731 0.914 -1.645) 2.557 1.934 ( 0.091 0.262 0.367) 0.460 1.984 ( -0.026 -0.124 0.128) 0.180 2.110 ( 0.197 0.955 -0.301) 1.020 2.217 ( -1.463 0.422 1.726) 2.301 2.245 ( 1.484 0.809 -1.685) 2.387 2.294 ( -0.271 -0.384 -0.545) 0.720 2.418 ( -0.032 -0.222 -0.218) 0.313 2.762 ( -0.277 0.315 0.747) 0.857 2.781 ( -0.052 -0.962 -0.060) 0.965 2.996 ( 0.251 0.388 -0.136) 0.482 3.088 ( -0.362 -0.825 -0.380) 0.977 3.280 ( -0.116 0.407 -0.308) 0.524 3.344 ( 0.099 0.008 0.324) 0.339 3.424 ( 0.380 -1.093 -0.100) 1.161 3.497 ( -0.013 0.575 0.071) 0.580 3.826 ( 0.204 0.369 0.368) 0.559 3.889 ( 0.200 0.381 -0.143) 0.453 4.059 ( -0.362 -0.265 -0.170) 0.480 4.199 ( -0.062 -0.223 0.008) 0.232 4.472 ( -0.015 0.175 -0.269) 0.322 4.663 ( 0.055 -0.770 0.013) 0.773 4.761 ( -0.161 0.018 0.041) 0.167 4.825 ( 0.034 -1.000 -0.223) 1.025 5.053 ( 0.905 -0.056 -0.782) 1.198 5.074 ( 0.009 0.846 0.632) 1.056 5.103 ( 0.301 -0.672 0.263) 0.782 5.175 ( -0.310 0.167 0.026) 0.354 5.561 ( -0.189 0.461 0.303) 0.583 5.993 ( -0.002 -0.316 -0.379) 0.494 6.175 ( -0.175 -1.338 -0.150) 1.357 6.373 ( -0.272 -0.029 0.220) 0.351 6.876 ( -0.033 0.296 0.068) 0.305 7.470 ( 0.238 0.400 -0.351) 0.583 7.774 ( 0.239 1.159 0.024) 1.184 8.056 ( 0.148 -0.021 -0.052) 0.159 8.443 ( 1.159 0.523 1.321) 1.833 8.586 ( 0.277 4.123 1.132) 4.285 8.665 ( -1.580 -4.300 -1.009) 4.691 9.998 ( -0.201 0.248 0.136) 0.347 10.081 ( 0.081 -0.011 -0.049) 0.095 10.115 ( 0.111 -0.930 -0.181) 0.954 10.187 ( -0.134 0.056 0.166) 0.221 12.955 ( -0.018 0.790 0.157) 0.805 13.354 ( -0.939 -0.216 -1.055) 1.428 13.471 ( 0.484 -2.339 0.292) 2.406 13.582 ( -0.043 0.754 -0.360) 0.837 13.814 ( -0.046 -1.116 -0.324) 1.163 14.001 ( -0.661 3.230 -0.102) 3.299 14.311 ( -0.356 -1.500 0.035) 1.542 14.632 ( 1.131 5.969 1.595) 6.281 16.212 ( 0.988 -0.048 -0.552) 1.132 16.325 ( -5.962 -2.370 -0.501) 6.435 16.514 ( 4.301 0.298 -0.449) 4.334 16.854 ( 0.680 -4.273 1.245) 4.503 ======================= Grid point 12 (9/88) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( -1.693 6.250 0.612) 6.504 0.603 ( 3.307 7.456 -0.711) 8.188 0.664 ( -3.498 6.347 0.408) 7.258 0.721 ( 1.680 3.975 0.166) 4.319 1.053 ( -0.744 -4.044 0.811) 4.191 1.135 ( -0.575 0.192 1.541) 1.656 1.164 ( -0.063 -0.361 -2.844) 2.868 1.266 ( 0.653 -2.701 -0.143) 2.783 1.363 ( -0.509 2.303 0.071) 2.359 1.590 ( -0.125 0.773 0.220) 0.814 1.690 ( -0.264 0.503 0.363) 0.675 1.697 ( 0.104 -1.560 -0.159) 1.571 1.936 ( 0.125 -0.120 0.244) 0.299 1.980 ( 0.190 0.549 -0.410) 0.711 2.135 ( -0.159 -3.241 1.392) 3.531 2.216 ( 0.949 -0.142 -1.646) 1.905 2.240 ( -0.874 -0.346 0.921) 1.316 2.313 ( 0.221 -1.939 0.114) 1.955 2.423 ( 0.017 -0.366 0.045) 0.369 2.751 ( -0.033 0.849 -0.077) 0.853 2.795 ( 0.203 -0.272 0.126) 0.362 2.990 ( -0.189 0.261 0.100) 0.338 3.100 ( -0.026 -0.797 -0.013) 0.797 3.275 ( -0.133 -0.198 -0.249) 0.345 3.345 ( 0.115 0.110 0.134) 0.208 3.433 ( 0.235 0.406 0.390) 0.610 3.490 ( -0.102 0.244 -0.181) 0.321 3.816 ( 0.056 0.772 -0.109) 0.782 3.891 ( -0.189 -0.323 0.478) 0.607 4.058 ( -0.026 -0.112 -0.395) 0.411 4.204 ( 0.163 -0.261 -0.079) 0.317 4.464 ( -0.286 0.426 -0.143) 0.532 4.673 ( 0.489 -0.173 -0.177) 0.548 4.755 ( -0.307 0.363 0.061) 0.479 4.829 ( -0.102 0.542 0.164) 0.575 5.055 ( 0.241 0.100 0.095) 0.278 5.059 ( -0.949 0.834 1.009) 1.616 5.127 ( 0.797 -0.846 0.287) 1.198 5.170 ( -0.128 -0.034 -0.297) 0.325 5.562 ( 0.122 -0.521 -0.067) 0.539 5.997 ( -0.196 -0.272 0.142) 0.364 6.181 ( 0.046 0.510 -0.028) 0.513 6.374 ( 0.140 -0.098 -0.205) 0.267 6.871 ( -0.046 0.161 -0.099) 0.194 7.471 ( -0.134 -0.526 0.175) 0.570 7.769 ( -0.109 -0.485 0.109) 0.509 8.051 ( -0.033 0.573 -0.065) 0.578 8.431 ( 0.088 2.117 0.815) 2.270 8.544 ( -0.138 0.735 -0.555) 0.931 8.731 ( 1.154 -3.701 -0.292) 3.887 9.996 ( -0.086 -0.086 -0.055) 0.134 10.079 ( 0.033 0.221 -0.085) 0.239 10.133 ( 0.287 -0.805 0.361) 0.928 10.187 ( 0.026 -0.068 -0.008) 0.074 12.947 ( -0.090 0.115 -0.022) 0.147 13.350 ( -0.626 -0.981 -0.793) 1.408 13.521 ( 3.314 -1.457 -0.202) 3.626 13.574 ( -2.983 -0.551 1.802) 3.529 13.845 ( -0.004 -1.984 0.924) 2.189 13.947 ( -0.301 1.500 -2.568) 2.989 14.308 ( -0.236 1.765 -0.127) 1.785 14.566 ( -0.218 2.002 -0.464) 2.066 16.226 ( 1.912 -0.138 -0.222) 1.930 16.302 ( -4.606 -0.901 -0.572) 4.727 16.515 ( 2.109 2.328 -0.076) 3.142 16.945 ( 2.179 -3.187 2.228) 4.457 ======================= Grid point 13 (10/88) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( 0.000 6.701 0.000) 6.701 0.446 ( 0.000 12.778 0.000) 12.778 0.464 ( 0.000 11.476 0.000) 11.476 0.662 ( 0.000 3.790 0.000) 3.790 1.097 ( 0.000 1.699 0.000) 1.699 1.149 ( -0.000 -6.227 -0.000) 6.227 1.247 ( -0.000 -6.816 -0.000) 6.816 1.305 ( 0.000 3.595 0.000) 3.595 1.311 ( -0.000 -2.051 -0.000) 2.051 1.574 ( 0.000 0.831 0.000) 0.831 1.679 ( 0.000 0.811 0.000) 0.811 1.733 ( -0.000 -2.383 -0.000) 2.383 1.942 ( -0.000 -0.437 -0.000) 0.437 1.968 ( 0.000 0.530 0.000) 0.530 2.213 ( 0.000 0.152 0.000) 0.152 2.215 ( -0.000 -4.526 -0.000) 4.526 2.255 ( -0.000 -1.596 -0.000) 1.596 2.353 ( -0.000 -2.016 -0.000) 2.016 2.428 ( -0.000 -0.158 -0.000) 0.158 2.736 ( 0.000 0.782 0.000) 0.782 2.794 ( 0.000 0.458 0.000) 0.458 2.986 ( 0.000 0.126 0.000) 0.126 3.112 ( -0.000 -0.433 -0.000) 0.433 3.278 ( -0.000 -0.266 -0.000) 0.266 3.345 ( 0.000 0.049 0.000) 0.049 3.421 ( 0.000 1.197 0.000) 1.197 3.484 ( 0.000 0.171 0.000) 0.171 3.806 ( 0.000 0.273 0.000) 0.273 3.897 ( -0.000 -0.151 -0.000) 0.151 4.062 ( -0.000 -0.773 -0.000) 0.773 4.205 ( 0.000 0.327 0.000) 0.327 4.451 ( 0.000 0.752 0.000) 0.752 4.675 ( 0.000 0.087 0.000) 0.087 4.747 ( 0.000 0.481 0.000) 0.481 4.808 ( 0.000 1.613 0.000) 1.613 5.049 ( 0.000 0.290 0.000) 0.290 5.049 ( 0.000 0.673 0.000) 0.673 5.137 ( 0.000 0.174 0.000) 0.174 5.177 ( -0.000 -0.867 -0.000) 0.867 5.578 ( -0.000 -1.196 -0.000) 1.196 6.000 ( -0.000 -0.163 -0.000) 0.163 6.162 ( 0.000 1.616 0.000) 1.616 6.375 ( -0.000 -0.067 -0.000) 0.067 6.869 ( -0.000 -0.011 -0.000) 0.011 7.485 ( -0.000 -1.004 -0.000) 1.004 7.788 ( -0.000 -1.580 -0.000) 1.580 8.038 ( 0.000 0.756 0.000) 0.756 8.398 ( 0.000 1.709 0.000) 1.709 8.547 ( -0.000 -1.182 -0.000) 1.182 8.793 ( -0.000 -2.412 -0.000) 2.412 9.999 ( -0.000 -0.333 -0.000) 0.333 10.074 ( 0.000 0.347 0.000) 0.347 10.150 ( -0.000 -0.712 -0.000) 0.712 10.189 ( -0.000 -0.140 -0.000) 0.140 12.949 ( -0.000 -0.261 -0.000) 0.261 13.369 ( -0.000 -1.902 -0.000) 1.902 13.543 ( 0.000 1.406 0.000) 1.406 13.592 ( -0.000 -2.872 -0.000) 2.872 13.885 ( -0.000 -1.993 -0.000) 1.993 13.916 ( 0.000 0.413 0.000) 0.413 14.256 ( 0.000 3.448 0.000) 3.448 14.558 ( -0.000 -1.187 -0.000) 1.187 16.229 ( 0.000 0.824 0.000) 0.824 16.293 ( -0.000 -0.819 -0.000) 0.819 16.474 ( 0.000 3.242 0.000) 3.242 17.015 ( -0.000 -2.138 -0.000) 2.138 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.144 ( -0.924 -0.000 6.482) 6.547 0.482 ( 3.040 0.000 10.812) 11.231 0.528 ( -0.906 -0.000 -3.296) 3.419 0.544 ( 11.168 0.000 2.618) 11.471 1.147 ( 2.615 0.000 -0.307) 2.633 1.255 ( -7.814 -0.000 9.759) 12.502 1.315 ( 8.907 0.000 -9.979) 13.376 1.336 ( 3.053 0.000 -2.364) 3.862 1.391 ( -3.430 -0.000 1.785) 3.867 1.546 ( -0.182 -0.000 -0.436) 0.472 1.679 ( 1.410 0.000 0.065) 1.412 1.751 ( 0.993 0.000 -2.421) 2.617 1.957 ( -0.996 -0.000 1.120) 1.499 1.964 ( -0.792 -0.000 1.081) 1.340 2.197 ( -0.801 -0.000 0.533) 0.963 2.286 ( 5.242 0.000 -6.014) 7.978 2.297 ( -3.068 -0.000 -0.378) 3.091 2.342 ( -2.361 -0.000 2.911) 3.748 2.414 ( -0.538 -0.000 -0.528) 0.754 2.703 ( -0.269 -0.000 -0.503) 0.570 2.774 ( -1.447 -0.000 2.374) 2.781 3.028 ( 1.262 0.000 -1.687) 2.107 3.064 ( -0.940 -0.000 -1.552) 1.815 3.283 ( 0.004 0.000 0.030) 0.030 3.326 ( -0.434 -0.000 0.385) 0.580 3.396 ( 1.111 0.000 -0.752) 1.342 3.518 ( 1.054 0.000 -0.963) 1.428 3.812 ( 0.752 0.000 0.278) 0.802 3.928 ( 1.132 0.000 0.480) 1.230 4.118 ( -0.611 -0.000 0.615) 0.867 4.160 ( -1.899 -0.000 0.650) 2.007 4.464 ( 1.383 0.000 -1.016) 1.716 4.616 ( -0.531 -0.000 0.141) 0.550 4.719 ( -0.013 -0.000 -0.081) 0.083 4.780 ( -0.526 -0.000 0.632) 0.822 5.002 ( 2.424 0.000 -2.253) 3.309 5.083 ( 0.150 0.000 0.194) 0.245 5.121 ( -0.580 -0.000 0.371) 0.689 5.220 ( -0.143 -0.000 1.434) 1.442 5.601 ( -1.467 -0.000 1.521) 2.113 5.988 ( 1.035 0.000 -2.064) 2.308 6.090 ( -1.279 -0.000 -0.255) 1.305 6.376 ( -1.367 -0.000 1.589) 2.096 6.886 ( 0.145 0.000 0.625) 0.642 7.519 ( 2.309 0.000 -3.853) 4.491 7.839 ( 1.137 0.000 -0.946) 1.479 8.033 ( 0.228 0.000 0.289) 0.368 8.334 ( 0.405 0.000 -0.364) 0.545 8.540 ( -5.139 -0.000 5.071) 7.220 8.767 ( 3.044 0.000 6.677) 7.338 10.020 ( -0.374 -0.000 1.208) 1.264 10.066 ( 0.483 0.000 -0.274) 0.555 10.070 ( 0.368 0.000 -0.411) 0.552 10.191 ( -0.390 -0.000 0.424) 0.576 13.023 ( 1.283 0.000 2.152) 2.505 13.331 ( -2.097 -0.000 -1.499) 2.578 13.383 ( -1.289 -0.000 -1.368) 1.880 13.652 ( 3.916 0.000 -7.600) 8.549 13.815 ( -1.945 -0.000 -2.619) 3.262 14.191 ( 2.342 0.000 -3.302) 4.048 14.265 ( -9.123 -0.000 8.422) 12.416 14.840 ( 4.396 0.000 7.016) 8.279 16.273 ( -2.260 -0.000 -0.076) 2.261 16.299 ( 2.550 0.000 1.759) 3.098 16.358 ( 0.822 0.000 -2.771) 2.890 16.567 ( 0.613 0.000 -0.614) 0.867 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 1.216 -10.524 4.718) 11.598 0.491 ( -0.435 0.748 -2.983) 3.106 0.608 ( 1.550 -3.760 7.580) 8.602 0.657 ( 7.252 -1.729 1.531) 7.611 1.164 ( 1.201 0.015 -0.030) 1.201 1.226 ( -2.595 2.988 2.086) 4.473 1.317 ( 1.343 2.885 -0.575) 3.234 1.336 ( 3.120 -0.371 -2.580) 4.065 1.347 ( -0.833 1.940 0.027) 2.111 1.548 ( -0.124 -0.710 -0.120) 0.730 1.689 ( 0.333 0.115 0.065) 0.358 1.738 ( 1.462 0.764 -1.928) 2.538 1.951 ( -0.586 0.535 0.791) 1.121 1.969 ( -0.626 -0.394 0.793) 1.085 2.178 ( -0.371 1.622 -0.547) 1.751 2.272 ( 0.430 1.590 -1.420) 2.174 2.274 ( -1.095 0.011 -0.765) 1.335 2.325 ( 0.564 1.897 -0.150) 1.984 2.409 ( -0.519 -0.305 -0.316) 0.680 2.716 ( -0.119 -1.781 -0.205) 1.797 2.777 ( -1.095 0.138 1.708) 2.034 3.018 ( 0.681 0.793 -0.801) 1.317 3.056 ( -0.681 -0.854 -1.122) 1.566 3.287 ( -0.108 -0.332 0.081) 0.358 3.331 ( -0.258 -0.639 0.222) 0.724 3.397 ( 0.919 0.208 -0.433) 1.037 3.516 ( 0.550 0.356 -0.509) 0.830 3.821 ( 0.534 -0.168 0.246) 0.611 3.929 ( 0.903 1.160 0.211) 1.485 4.084 ( -0.634 2.157 0.248) 2.261 4.174 ( -1.070 -1.522 0.471) 1.919 4.470 ( 0.806 -0.223 -0.650) 1.059 4.623 ( -0.218 -1.093 -0.092) 1.118 4.734 ( -0.279 -1.467 0.264) 1.516 4.784 ( -0.123 -0.450 0.072) 0.472 5.020 ( 2.144 -1.099 -1.406) 2.789 5.084 ( -0.145 -0.115 -0.141) 0.233 5.118 ( -0.269 0.273 0.223) 0.443 5.208 ( 0.135 1.902 0.918) 2.117 5.592 ( -1.007 0.826 1.030) 1.661 5.984 ( 0.624 -0.131 -1.372) 1.513 6.097 ( -0.882 -2.021 -0.226) 2.216 6.375 ( -1.000 0.075 1.042) 1.446 6.888 ( 0.087 0.314 0.431) 0.540 7.503 ( 1.042 0.975 -1.866) 2.349 7.830 ( 0.772 1.220 -0.630) 1.575 8.041 ( 0.248 -0.527 0.161) 0.604 8.380 ( 1.093 -4.366 -0.282) 4.510 8.538 ( -3.947 -0.926 1.904) 4.479 8.788 ( 2.144 5.006 4.931) 7.346 10.018 ( -0.239 0.708 0.748) 1.057 10.073 ( 0.051 -0.365 0.096) 0.381 10.077 ( 0.360 -0.921 -0.569) 1.141 10.190 ( -0.305 0.084 0.337) 0.462 13.019 ( 0.797 2.548 1.271) 2.957 13.344 ( -1.580 -3.404 -0.751) 3.827 13.363 ( -1.096 -0.260 -1.114) 1.585 13.624 ( 1.777 1.047 -4.148) 4.632 13.788 ( -1.106 -0.403 -1.926) 2.257 14.156 ( -0.700 3.603 -0.292) 3.682 14.253 ( -2.496 -0.695 3.287) 4.186 14.871 ( 3.082 5.188 5.073) 7.883 16.251 ( -1.580 0.991 -1.090) 2.160 16.260 ( -0.502 2.162 0.441) 2.263 16.430 ( 2.965 -4.795 -0.504) 5.660 16.639 ( -0.585 -6.810 -0.505) 6.853 ======================= Grid point 18 (13/88) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 0.067 1.594 -1.763) 2.378 0.527 ( 1.405 -10.206 3.807) 10.983 0.709 ( 0.328 -2.189 2.973) 3.706 0.734 ( 2.603 -1.567 0.045) 3.038 1.122 ( -0.904 4.967 0.421) 5.066 1.200 ( 2.093 -0.403 -1.813) 2.798 1.231 ( -1.353 5.633 1.658) 6.026 1.298 ( -0.184 3.676 -0.228) 3.688 1.371 ( 1.027 -1.428 -0.524) 1.836 1.567 ( 0.049 -1.531 -0.016) 1.532 1.680 ( -0.384 0.525 -0.023) 0.650 1.724 ( 1.091 1.139 -0.884) 1.808 1.943 ( -0.091 0.474 0.360) 0.602 1.978 ( -0.192 -0.583 0.278) 0.673 2.136 ( 0.048 2.152 -0.727) 2.272 2.235 ( -1.027 1.604 0.927) 2.118 2.265 ( -0.218 0.466 0.058) 0.518 2.292 ( 1.070 1.602 -1.646) 2.534 2.410 ( -0.182 -0.359 -0.187) 0.444 2.750 ( -0.006 -2.097 0.052) 2.098 2.774 ( -0.485 0.396 0.700) 0.940 3.006 ( 0.313 0.638 -0.214) 0.742 3.064 ( -0.357 -1.150 -0.471) 1.293 3.286 ( -0.099 0.428 -0.123) 0.456 3.343 ( 0.003 -0.523 0.217) 0.567 3.405 ( 0.444 -0.903 -0.153) 1.018 3.508 ( 0.078 0.608 -0.094) 0.621 3.830 ( 0.186 -0.279 0.236) 0.410 3.909 ( 0.378 1.638 -0.095) 1.684 4.056 ( -0.367 0.664 0.034) 0.760 4.190 ( -0.295 -0.801 0.146) 0.866 4.473 ( 0.194 0.050 -0.295) 0.357 4.644 ( 0.020 -1.380 -0.019) 1.380 4.756 ( -0.243 -0.787 0.288) 0.872 4.798 ( 0.081 -1.467 -0.299) 1.499 5.045 ( 0.975 -0.848 -0.790) 1.514 5.088 ( 0.063 -0.577 0.184) 0.609 5.106 ( 0.028 1.159 0.084) 1.163 5.184 ( -0.054 1.184 0.316) 1.227 5.574 ( -0.326 0.990 0.383) 1.110 5.984 ( 0.146 -0.311 -0.509) 0.614 6.134 ( -0.312 -2.738 -0.132) 2.759 6.372 ( -0.396 0.043 0.364) 0.539 6.883 ( 0.004 0.493 0.144) 0.514 7.482 ( 0.314 1.009 -0.546) 1.190 7.804 ( 0.306 1.835 -0.137) 1.866 8.053 ( 0.153 -0.452 0.000) 0.478 8.468 ( 2.751 -1.572 1.387) 3.458 8.544 ( -3.682 -4.690 -1.143) 6.071 8.708 ( 0.643 7.587 1.901) 7.848 10.006 ( -0.150 0.716 0.230) 0.767 10.079 ( 0.049 -0.208 0.005) 0.213 10.095 ( 0.100 -1.213 -0.249) 1.242 10.188 ( -0.149 0.109 0.168) 0.250 12.983 ( 0.136 2.244 0.305) 2.268 13.342 ( -0.587 0.241 -0.554) 0.843 13.410 ( -0.486 -4.320 -0.173) 4.351 13.596 ( 0.424 1.032 -1.125) 1.585 13.788 ( -0.240 -1.228 -0.753) 1.461 14.074 ( -0.524 4.950 0.388) 4.993 14.279 ( -0.416 -1.815 0.580) 1.951 14.790 ( 1.285 8.515 2.002) 8.841 16.219 ( 0.888 0.487 -0.972) 1.403 16.247 ( -3.074 -1.210 0.297) 3.317 16.518 ( 2.163 -2.702 -0.415) 3.485 16.758 ( -0.147 -7.208 0.406) 7.221 ======================= Grid point 19 (14/88) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 0.000 4.115 0.000) 4.115 0.683 ( -0.000 -3.622 -0.000) 3.622 0.714 ( 0.000 2.508 0.000) 2.508 0.758 ( -0.000 -0.066 -0.000) 0.066 1.040 ( 0.000 2.968 0.000) 2.968 1.145 ( 0.000 3.145 0.000) 3.145 1.215 ( 0.000 4.224 0.000) 4.224 1.228 ( -0.000 -1.209 -0.000) 1.209 1.385 ( 0.000 0.255 0.000) 0.255 1.591 ( -0.000 -0.798 -0.000) 0.798 1.677 ( -0.000 -0.499 -0.000) 0.499 1.705 ( 0.000 1.092 0.000) 1.092 1.938 ( 0.000 0.219 0.000) 0.219 1.985 ( -0.000 -0.050 -0.000) 0.050 2.110 ( 0.000 0.152 0.000) 0.152 2.217 ( 0.000 0.476 0.000) 0.476 2.246 ( 0.000 1.093 0.000) 1.093 2.287 ( -0.000 -1.005 -0.000) 1.005 2.416 ( -0.000 -0.402 -0.000) 0.402 2.765 ( 0.000 0.684 0.000) 0.684 2.782 ( -0.000 -1.370 -0.000) 1.370 2.997 ( 0.000 0.529 0.000) 0.529 3.082 ( -0.000 -1.189 -0.000) 1.189 3.275 ( 0.000 0.449 0.000) 0.449 3.348 ( 0.000 0.020 0.000) 0.020 3.427 ( -0.000 -1.110 -0.000) 1.110 3.497 ( 0.000 0.611 0.000) 0.611 3.831 ( 0.000 0.583 0.000) 0.583 3.890 ( 0.000 0.407 0.000) 0.407 4.053 ( -0.000 -0.273 -0.000) 0.273 4.199 ( -0.000 -0.349 -0.000) 0.349 4.469 ( 0.000 0.303 0.000) 0.303 4.665 ( -0.000 -0.886 -0.000) 0.886 4.760 ( 0.000 0.154 0.000) 0.154 4.823 ( -0.000 -1.125 -0.000) 1.125 5.055 ( -0.000 -0.323 -0.000) 0.323 5.079 ( 0.000 1.476 0.000) 1.476 5.110 ( -0.000 -1.269 -0.000) 1.269 5.172 ( 0.000 0.421 0.000) 0.421 5.561 ( 0.000 0.428 0.000) 0.428 5.990 ( -0.000 -0.413 -0.000) 0.413 6.172 ( -0.000 -1.551 -0.000) 1.551 6.372 ( -0.000 -0.067 -0.000) 0.067 6.876 ( 0.000 0.415 0.000) 0.415 7.469 ( 0.000 0.330 0.000) 0.330 7.776 ( 0.000 1.271 0.000) 1.271 8.057 ( 0.000 0.105 0.000) 0.105 8.470 ( 0.000 1.678 0.000) 1.678 8.597 ( 0.000 5.459 0.000) 5.459 8.639 ( -0.000 -6.604 -0.000) 6.604 9.997 ( 0.000 0.319 0.000) 0.319 10.081 ( 0.000 0.035 0.000) 0.035 10.116 ( -0.000 -1.231 -0.000) 1.231 10.187 ( 0.000 0.043 0.000) 0.043 12.956 ( 0.000 1.025 0.000) 1.025 13.336 ( -0.000 -0.141 -0.000) 0.141 13.479 ( -0.000 -3.742 -0.000) 3.742 13.579 ( 0.000 0.844 0.000) 0.844 13.812 ( -0.000 -1.895 -0.000) 1.895 13.991 ( 0.000 4.231 0.000) 4.231 14.308 ( -0.000 -1.220 -0.000) 1.220 14.655 ( 0.000 7.604 0.000) 7.604 16.231 ( -0.000 -0.706 -0.000) 0.706 16.252 ( -0.000 -1.485 -0.000) 1.485 16.546 ( 0.000 0.213 0.000) 0.213 16.877 ( -0.000 -5.995 -0.000) 5.995 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( -0.340 -0.000 3.096) 3.114 0.472 ( -0.580 -0.000 -2.165) 2.242 0.630 ( 1.624 0.000 4.043) 4.357 0.710 ( 4.353 0.000 1.600) 4.638 1.169 ( 0.507 0.000 -0.208) 0.548 1.251 ( -2.528 -0.000 2.748) 3.734 1.330 ( 3.045 0.000 -2.861) 4.178 1.345 ( 2.014 0.000 -2.356) 3.100 1.366 ( -1.976 -0.000 1.462) 2.458 1.540 ( -0.207 -0.000 0.090) 0.225 1.696 ( 0.485 0.000 -0.023) 0.486 1.743 ( 0.696 0.000 -0.920) 1.154 1.956 ( -0.470 -0.000 0.480) 0.671 1.965 ( -0.357 -0.000 0.467) 0.588 2.191 ( -0.360 -0.000 0.134) 0.384 2.254 ( -1.174 -0.000 -0.406) 1.242 2.286 ( 1.487 0.000 -1.996) 2.489 2.348 ( -0.176 -0.000 0.747) 0.767 2.399 ( -0.433 -0.000 -0.184) 0.471 2.695 ( -0.071 -0.000 -0.199) 0.212 2.781 ( -0.624 -0.000 1.079) 1.247 3.026 ( 0.356 0.000 -0.510) 0.622 3.035 ( -0.463 -0.000 -0.703) 0.841 3.283 ( -0.021 -0.000 -0.021) 0.030 3.324 ( -0.188 -0.000 0.145) 0.237 3.404 ( 0.585 0.000 -0.252) 0.636 3.520 ( 0.337 0.000 -0.369) 0.500 3.825 ( 0.356 0.000 0.146) 0.385 3.949 ( 0.569 0.000 0.274) 0.631 4.116 ( -0.292 -0.000 0.272) 0.399 4.140 ( -0.701 -0.000 -0.029) 0.702 4.471 ( 0.419 0.000 -0.242) 0.484 4.610 ( -0.272 -0.000 0.042) 0.275 4.718 ( 0.008 0.000 -0.035) 0.036 4.781 ( -0.169 -0.000 0.272) 0.320 5.021 ( 1.408 0.000 -0.232) 1.427 5.078 ( -0.149 -0.000 -0.622) 0.639 5.118 ( -0.247 -0.000 0.155) 0.292 5.234 ( -0.068 -0.000 0.645) 0.648 5.598 ( -0.654 -0.000 0.644) 0.918 5.980 ( 0.399 0.000 -0.826) 0.917 6.070 ( -0.546 -0.000 -0.148) 0.566 6.374 ( -0.600 -0.000 0.618) 0.861 6.895 ( 0.065 0.000 0.268) 0.276 7.508 ( 0.547 0.000 -1.133) 1.258 7.842 ( 0.460 0.000 -0.476) 0.662 8.039 ( 0.100 0.000 0.135) 0.168 8.335 ( 0.159 0.000 -0.120) 0.199 8.528 ( -1.512 -0.000 1.311) 2.001 8.882 ( 1.516 0.000 3.154) 3.500 10.029 ( -0.095 -0.000 0.561) 0.569 10.069 ( 0.186 0.000 -0.117) 0.220 10.070 ( 0.107 0.000 -0.121) 0.161 10.191 ( -0.172 -0.000 0.186) 0.253 13.064 ( 0.620 0.000 1.061) 1.229 13.285 ( -0.994 -0.000 -0.819) 1.288 13.351 ( -0.621 -0.000 -0.642) 0.893 13.620 ( 0.915 0.000 -2.491) 2.654 13.765 ( -0.796 -0.000 -0.998) 1.277 14.177 ( 0.181 0.000 -1.207) 1.220 14.245 ( -2.342 -0.000 2.418) 3.366 14.970 ( 1.791 0.000 3.175) 3.646 16.245 ( -0.877 -0.000 -0.051) 0.879 16.338 ( 0.325 0.000 -1.297) 1.337 16.351 ( 1.142 0.000 0.821) 1.406 16.568 ( 0.160 0.000 -0.199) 0.256 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -0.000 -11.830 -0.000) 11.830 0.459 ( 0.000 0.316 0.000) 0.316 0.676 ( -0.000 -2.596 -0.000) 2.596 0.737 ( -0.000 -0.326 -0.000) 0.326 1.171 ( 0.000 0.294 0.000) 0.294 1.217 ( 0.000 2.945 0.000) 2.945 1.324 ( 0.000 4.120 0.000) 4.120 1.339 ( 0.000 1.137 0.000) 1.137 1.347 ( -0.000 -1.304 -0.000) 1.304 1.546 ( -0.000 -0.803 -0.000) 0.803 1.691 ( 0.000 0.707 0.000) 0.707 1.739 ( 0.000 0.444 0.000) 0.444 1.952 ( 0.000 0.378 0.000) 0.378 1.969 ( -0.000 -0.386 -0.000) 0.386 2.170 ( 0.000 1.878 0.000) 1.878 2.256 ( -0.000 -0.697 -0.000) 0.697 2.265 ( 0.000 1.904 0.000) 1.904 2.331 ( 0.000 2.063 0.000) 2.063 2.402 ( -0.000 -0.443 -0.000) 0.443 2.713 ( -0.000 -1.925 -0.000) 1.925 2.780 ( 0.000 0.231 0.000) 0.231 3.017 ( 0.000 0.581 0.000) 0.581 3.042 ( -0.000 -0.938 -0.000) 0.938 3.287 ( -0.000 -0.261 -0.000) 0.261 3.331 ( -0.000 -0.754 -0.000) 0.754 3.403 ( 0.000 0.228 0.000) 0.228 3.517 ( 0.000 0.367 0.000) 0.367 3.828 ( -0.000 -0.092 -0.000) 0.092 3.939 ( 0.000 1.417 0.000) 1.417 4.080 ( 0.000 2.214 0.000) 2.214 4.167 ( -0.000 -1.747 -0.000) 1.747 4.473 ( -0.000 -0.078 -0.000) 0.078 4.620 ( -0.000 -1.219 -0.000) 1.219 4.733 ( -0.000 -1.481 -0.000) 1.481 4.783 ( -0.000 -0.318 -0.000) 0.318 5.034 ( -0.000 -0.697 -0.000) 0.697 5.078 ( -0.000 -0.411 -0.000) 0.411 5.117 ( 0.000 0.145 0.000) 0.145 5.216 ( 0.000 1.937 0.000) 1.937 5.590 ( 0.000 0.770 0.000) 0.770 5.979 ( -0.000 -0.136 -0.000) 0.136 6.087 ( -0.000 -2.147 -0.000) 2.147 6.373 ( 0.000 0.086 0.000) 0.086 6.892 ( 0.000 0.396 0.000) 0.396 7.498 ( 0.000 0.821 0.000) 0.821 7.832 ( 0.000 1.148 0.000) 1.148 8.045 ( -0.000 -0.510 -0.000) 0.510 8.390 ( -0.000 -5.837 -0.000) 5.837 8.517 ( 0.000 0.981 0.000) 0.981 8.845 ( 0.000 5.984 0.000) 5.984 10.021 ( 0.000 0.892 0.000) 0.892 10.074 ( -0.000 -0.374 -0.000) 0.374 10.076 ( -0.000 -0.788 -0.000) 0.788 10.190 ( 0.000 0.080 0.000) 0.080 13.035 ( 0.000 3.165 0.000) 3.165 13.326 ( -0.000 -4.541 -0.000) 4.541 13.343 ( 0.000 0.296 0.000) 0.296 13.609 ( 0.000 0.719 0.000) 0.719 13.765 ( -0.000 -0.772 -0.000) 0.772 14.146 ( 0.000 3.133 0.000) 3.133 14.254 ( -0.000 -1.090 -0.000) 1.090 14.935 ( 0.000 5.930 0.000) 5.930 16.226 ( 0.000 1.068 0.000) 1.068 16.261 ( 0.000 3.327 0.000) 3.327 16.453 ( -0.000 -5.507 -0.000) 5.507 16.633 ( -0.000 -6.544 -0.000) 6.544 ======================= Grid point 51 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.164 ( -5.324 -0.000 9.578) 10.959 0.219 ( -7.380 -0.000 11.506) 13.669 0.534 ( -14.727 -0.000 26.965) 30.724 0.616 ( -3.915 -0.000 2.285) 4.533 1.032 ( 3.750 0.000 -4.195) 5.627 1.052 ( 11.194 0.000 -12.080) 16.469 1.152 ( 9.520 0.000 -11.918) 15.254 1.441 ( -6.601 -0.000 6.124) 9.005 1.455 ( -0.348 -0.000 2.017) 2.047 1.630 ( -4.891 -0.000 5.072) 7.046 1.655 ( -0.733 -0.000 0.940) 1.192 1.738 ( 1.289 0.000 -3.937) 4.143 1.938 ( 2.248 0.000 -1.759) 2.854 2.009 ( -1.605 -0.000 2.783) 3.213 2.089 ( 5.443 0.000 -7.432) 9.212 2.276 ( -2.083 -0.000 -0.114) 2.087 2.356 ( 3.053 0.000 -2.760) 4.116 2.410 ( -2.980 -0.000 5.324) 6.101 2.471 ( -2.964 -0.000 1.129) 3.172 2.713 ( -0.057 -0.000 -0.074) 0.094 2.846 ( -4.752 -0.000 7.164) 8.597 2.968 ( -0.239 -0.000 -2.450) 2.462 3.094 ( 0.479 0.000 -2.066) 2.121 3.253 ( 1.710 0.000 -2.797) 3.279 3.330 ( 0.005 0.000 0.064) 0.065 3.429 ( -3.512 -0.000 2.806) 4.495 3.464 ( 1.835 0.000 -0.973) 2.077 3.775 ( 1.649 0.000 -1.694) 2.364 3.882 ( -0.173 -0.000 -0.708) 0.729 4.104 ( 1.796 0.000 -1.625) 2.423 4.273 ( -1.954 -0.000 1.941) 2.754 4.544 ( -10.555 -0.000 3.231) 11.039 4.594 ( 2.590 0.000 -2.929) 3.910 4.742 ( -1.830 -0.000 2.159) 2.830 4.800 ( -0.592 -0.000 1.637) 1.741 4.929 ( 3.702 0.000 -7.079) 7.989 5.078 ( -0.284 -0.000 0.693) 0.749 5.154 ( -1.437 -0.000 2.673) 3.034 5.179 ( 1.836 0.000 -1.683) 2.491 5.582 ( 3.454 0.000 -3.109) 4.647 5.954 ( 1.544 0.000 -3.022) 3.394 6.129 ( 0.728 0.000 -2.425) 2.532 6.466 ( -5.624 -0.000 8.095) 9.857 6.865 ( 1.250 0.000 -0.779) 1.473 7.694 ( -19.530 -0.000 1.162) 19.564 7.820 ( -0.035 -0.000 -0.631) 0.632 8.035 ( -0.993 -0.000 1.347) 1.674 8.287 ( 3.320 0.000 -4.087) 5.265 8.624 ( 2.244 0.000 3.876) 4.479 8.952 ( -16.096 -0.000 -2.253) 16.253 10.010 ( 0.644 0.000 0.280) 0.702 10.079 ( -1.682 -0.000 1.936) 2.565 10.084 ( -3.474 -0.000 -0.909) 3.591 10.192 ( 0.433 0.000 -0.096) 0.444 12.980 ( -0.707 -0.000 2.543) 2.639 13.365 ( 2.060 0.000 -3.863) 4.378 13.461 ( -3.544 -0.000 2.657) 4.429 13.517 ( 0.307 0.000 2.457) 2.476 13.943 ( -4.751 -0.000 1.392) 4.950 14.146 ( 1.726 0.000 -3.912) 4.276 14.593 ( 7.177 0.000 0.556) 7.198 14.821 ( -26.959 -0.000 -2.016) 27.035 16.215 ( 0.438 0.000 0.893) 0.994 16.324 ( 0.522 0.000 -0.693) 0.868 16.390 ( -2.720 -0.000 0.158) 2.725 16.400 ( 13.669 0.000 0.135) 13.669 ======================= Grid point 52 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( -0.405 -0.354 10.876) 10.889 0.374 ( 0.328 -9.404 6.457) 11.412 0.610 ( -4.403 -1.585 1.984) 5.083 0.640 ( -11.274 -3.865 23.038) 25.938 1.020 ( 8.250 0.916 -7.234) 11.011 1.099 ( 8.282 -1.801 -9.581) 12.792 1.121 ( 9.444 2.597 -10.929) 14.676 1.407 ( -3.244 4.476 3.093) 6.334 1.433 ( -4.061 0.858 4.610) 6.203 1.616 ( -3.846 0.499 4.515) 5.952 1.673 ( -0.444 -1.072 1.010) 1.538 1.719 ( 0.752 0.154 -3.065) 3.160 1.937 ( 1.979 0.827 -1.323) 2.520 2.019 ( -1.531 -0.381 2.463) 2.925 2.083 ( 6.055 0.381 -7.448) 9.606 2.245 ( -2.135 1.491 -0.581) 2.668 2.342 ( 0.736 1.588 -1.325) 2.195 2.398 ( -3.171 2.274 4.465) 5.930 2.437 ( -2.411 0.776 1.133) 2.775 2.720 ( -0.104 -1.184 -0.205) 1.206 2.854 ( -4.867 0.146 6.259) 7.930 2.961 ( 2.252 0.161 -2.260) 3.194 3.084 ( 0.363 -0.266 -2.263) 2.308 3.255 ( 2.769 -0.318 -2.727) 3.899 3.335 ( 0.127 -0.402 -0.520) 0.670 3.421 ( -2.678 -0.254 1.985) 3.343 3.476 ( 1.369 -0.288 -0.359) 1.444 3.786 ( 1.814 -0.592 -1.663) 2.531 3.880 ( 0.667 0.086 -0.403) 0.784 4.098 ( 0.346 0.835 -0.222) 0.930 4.260 ( -3.986 -0.134 2.915) 4.939 4.483 ( -4.162 1.242 4.325) 6.130 4.594 ( 2.888 0.151 -4.068) 4.991 4.761 ( -1.471 -1.929 1.869) 3.063 4.807 ( -1.493 -0.194 1.789) 2.338 4.925 ( 4.600 -0.975 -6.480) 8.006 5.081 ( 0.120 0.066 0.065) 0.152 5.144 ( -1.251 1.267 2.173) 2.809 5.180 ( 0.865 0.079 -0.486) 0.995 5.572 ( 3.302 1.555 -3.680) 5.183 5.950 ( 1.579 -0.299 -2.561) 3.024 6.116 ( 0.893 -0.369 -2.311) 2.505 6.471 ( -5.941 0.239 7.777) 9.790 6.869 ( 1.167 0.087 -0.624) 1.326 7.568 ( -8.503 2.141 5.484) 10.342 7.808 ( 0.491 1.109 -0.606) 1.356 8.042 ( -0.904 -0.648 1.478) 1.850 8.324 ( 3.016 -2.986 -4.092) 5.896 8.643 ( 2.011 3.449 4.705) 6.171 8.795 ( -10.020 1.065 0.808) 10.109 10.018 ( -0.037 0.218 0.681) 0.716 10.058 ( 0.465 -0.020 -0.603) 0.761 10.105 ( -2.214 -1.710 0.337) 2.818 10.194 ( 0.270 0.120 -0.030) 0.296 12.987 ( -0.566 0.816 3.041) 3.199 13.388 ( 1.902 -3.013 -6.608) 7.507 13.438 ( -3.090 0.924 2.184) 3.895 13.557 ( 2.159 -0.212 1.870) 2.864 13.903 ( -4.878 0.569 1.130) 5.039 14.147 ( 0.931 -1.164 -3.718) 4.006 14.418 ( -10.602 15.225 11.928) 22.056 14.648 ( 6.972 2.869 2.162) 7.843 16.232 ( 0.703 0.051 0.963) 1.194 16.311 ( 1.892 0.241 -0.679) 2.025 16.402 ( -3.608 -3.680 0.030) 5.154 16.669 ( 1.790 -13.479 -10.063) 16.916 ======================= Grid point 53 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( 3.125 -3.401 7.829) 9.090 0.564 ( -0.250 -7.520 1.754) 7.726 0.632 ( -2.496 -3.182 3.127) 5.112 0.767 ( -8.949 -3.799 17.383) 19.917 1.038 ( 8.226 4.011 -7.688) 11.952 1.046 ( 8.365 0.046 -8.755) 12.109 1.143 ( 7.457 -0.890 -9.201) 11.876 1.309 ( -3.052 5.283 3.045) 6.819 1.410 ( -1.878 1.847 2.340) 3.524 1.620 ( -3.674 -0.771 4.850) 6.133 1.683 ( 0.832 0.488 -0.273) 1.003 1.715 ( -1.282 -1.306 0.208) 1.842 1.929 ( 1.404 0.687 -0.861) 1.784 2.025 ( -1.045 0.090 1.418) 1.764 2.075 ( 5.069 0.587 -5.626) 7.596 2.186 ( -0.914 2.394 -1.875) 3.175 2.313 ( -0.126 0.998 -0.825) 1.301 2.349 ( -4.199 3.173 4.935) 7.215 2.423 ( -0.705 0.118 0.082) 0.719 2.746 ( 0.378 -1.684 -0.516) 1.801 2.848 ( -4.684 0.660 5.947) 7.598 2.961 ( 2.277 0.224 -2.264) 3.219 3.080 ( 0.468 -0.535 -2.029) 2.150 3.263 ( 2.373 -0.008 -2.349) 3.339 3.336 ( 0.358 -0.008 -0.704) 0.790 3.424 ( -1.413 -0.827 1.286) 2.082 3.488 ( 0.249 -0.295 0.273) 0.473 3.798 ( 2.160 -0.144 -1.862) 2.855 3.887 ( -0.360 -0.545 1.090) 1.271 4.084 ( -0.996 0.566 0.790) 1.392 4.252 ( -3.905 -0.119 3.284) 5.104 4.476 ( -1.200 0.038 1.892) 2.240 4.588 ( 3.870 0.098 -5.030) 6.348 4.799 ( -1.323 -1.981 1.997) 3.108 4.809 ( -1.507 -0.311 1.424) 2.096 4.947 ( 5.373 -1.380 -5.848) 8.060 5.076 ( 0.214 0.691 0.404) 0.829 5.133 ( -1.256 0.191 1.324) 1.835 5.186 ( -0.536 -0.386 0.821) 1.054 5.542 ( 3.426 1.765 -4.248) 5.736 5.954 ( 1.774 -0.434 -2.431) 3.040 6.125 ( 2.009 -1.304 -3.234) 4.025 6.466 ( -6.177 0.493 7.369) 9.628 6.872 ( 0.950 0.180 -0.642) 1.161 7.524 ( -4.537 1.075 4.357) 6.381 7.786 ( 0.710 1.491 -0.340) 1.686 8.060 ( -1.166 -0.920 1.846) 2.369 8.372 ( 3.202 -2.222 -2.785) 4.790 8.609 ( 1.082 4.168 1.730) 4.641 8.733 ( -3.981 0.660 0.115) 4.037 10.013 ( -0.325 0.630 0.690) 0.989 10.065 ( 1.075 -0.420 -1.031) 1.548 10.112 ( -1.486 -0.774 0.295) 1.701 10.192 ( 0.121 0.194 0.007) 0.229 12.985 ( -1.210 0.912 3.004) 3.365 13.399 ( 3.027 -1.539 -7.096) 7.867 13.411 ( -3.210 0.664 2.031) 3.857 13.579 ( 0.589 0.249 2.000) 2.099 13.872 ( -4.606 -0.300 2.801) 5.399 14.110 ( -2.886 3.360 0.494) 4.456 14.294 ( -0.831 1.793 3.694) 4.190 14.640 ( 6.344 5.726 0.658) 8.571 16.224 ( -1.044 0.599 0.079) 1.206 16.350 ( 4.507 -1.309 -0.403) 4.710 16.440 ( -5.132 -4.239 0.901) 6.717 16.773 ( 0.332 -5.771 -5.840) 8.217 ======================= Grid point 54 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -0.149 -0.910 5.318) 5.397 0.640 ( -2.377 -2.744 1.614) 3.973 0.702 ( 1.550 -0.229 2.690) 3.113 0.830 ( -7.485 -0.253 10.000) 12.494 0.979 ( 4.765 1.794 -5.037) 7.162 1.077 ( 7.057 -0.876 -7.500) 10.335 1.126 ( 5.652 1.922 -7.595) 9.661 1.245 ( -1.954 1.669 1.956) 3.229 1.383 ( 0.371 0.860 0.016) 0.937 1.635 ( -3.474 -0.615 3.811) 5.193 1.679 ( 0.188 0.244 0.294) 0.426 1.737 ( -1.728 -1.389 2.058) 3.025 1.926 ( 0.892 0.354 -0.611) 1.138 2.020 ( -1.243 0.347 1.371) 1.883 2.074 ( 3.405 -0.236 -3.383) 4.806 2.145 ( 1.340 0.479 -2.492) 2.869 2.284 ( -0.025 1.407 -0.781) 1.610 2.317 ( -4.073 0.155 4.972) 6.429 2.419 ( -0.042 -0.110 -0.376) 0.394 2.769 ( 0.886 -0.870 -1.052) 1.627 2.838 ( -4.921 0.780 6.641) 8.302 2.962 ( 2.085 -0.148 -2.509) 3.265 3.082 ( 0.659 -0.588 -1.459) 1.706 3.262 ( 1.652 0.251 -2.047) 2.643 3.334 ( 0.656 0.085 -0.773) 1.017 3.442 ( -0.098 -1.114 0.344) 1.170 3.491 ( -0.937 0.274 1.251) 1.587 3.800 ( 2.215 0.382 -2.217) 3.157 3.904 ( -1.776 -0.803 2.604) 3.253 4.074 ( -1.027 0.251 0.633) 1.232 4.245 ( -3.541 -0.050 3.656) 5.090 4.478 ( -0.738 -0.069 0.866) 1.139 4.584 ( 4.823 0.266 -5.983) 7.689 4.809 ( -2.002 -0.095 2.242) 3.007 4.832 ( -0.700 -1.214 1.062) 1.758 4.976 ( 5.150 -1.284 -5.470) 7.621 5.077 ( 0.038 -0.177 1.290) 1.302 5.130 ( -1.333 0.012 1.325) 1.880 5.190 ( -1.276 0.018 1.227) 1.770 5.518 ( 3.455 0.833 -4.209) 5.509 5.960 ( 2.023 -0.457 -2.601) 3.327 6.141 ( 2.836 -0.798 -3.803) 4.811 6.455 ( -6.082 0.496 7.136) 9.390 6.870 ( 0.735 0.271 -0.829) 1.141 7.511 ( -3.692 -0.145 4.242) 5.626 7.770 ( 0.388 0.633 0.003) 0.742 8.074 ( -1.615 -0.358 2.071) 2.650 8.415 ( 3.146 -1.329 -1.246) 3.636 8.550 ( 1.172 3.907 -1.231) 4.261 8.700 ( -1.417 0.114 -0.742) 1.604 10.004 ( -0.265 0.448 0.404) 0.659 10.072 ( 0.779 -0.196 -0.868) 1.183 10.116 ( -0.509 -0.587 0.220) 0.807 10.189 ( 0.033 0.228 -0.006) 0.231 12.978 ( -1.861 0.611 2.565) 3.228 13.387 ( -1.038 0.026 -1.278) 1.647 13.407 ( 2.603 -0.756 -3.451) 4.388 13.594 ( -0.602 -0.438 2.536) 2.643 13.880 ( -4.324 -1.621 5.600) 7.258 14.028 ( -3.158 3.218 1.059) 4.632 14.309 ( 0.624 -0.923 -0.620) 1.275 14.578 ( 4.940 5.526 -2.629) 7.865 16.208 ( -0.846 0.095 -0.353) 0.922 16.393 ( 2.089 -0.497 -1.482) 2.609 16.468 ( -3.466 -2.043 1.938) 4.466 16.829 ( 2.342 -2.782 -1.571) 3.961 ======================= Grid point 55 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -6.214 1.984 4.135) 7.723 0.591 ( 0.313 8.534 0.830) 8.580 0.711 ( 0.158 2.311 4.557) 5.112 0.798 ( -9.432 3.526 8.268) 13.029 0.989 ( 4.977 -2.103 -5.455) 7.677 1.078 ( 6.423 0.207 -11.535) 13.204 1.116 ( 3.212 -2.177 -3.542) 5.254 1.228 ( -0.935 0.322 1.612) 1.892 1.396 ( -0.529 -1.959 0.529) 2.097 1.632 ( -3.243 0.297 3.270) 4.615 1.682 ( -0.523 -0.170 0.718) 0.904 1.754 ( -1.851 -0.595 2.149) 2.898 1.921 ( 0.866 0.286 -1.137) 1.458 2.014 ( -2.060 0.357 2.655) 3.379 2.095 ( 4.494 -1.359 -5.835) 7.490 2.160 ( 0.747 -2.321 0.488) 2.486 2.274 ( 0.234 -0.283 0.471) 0.597 2.330 ( -3.388 -1.785 3.499) 5.187 2.420 ( 0.498 -0.215 -0.677) 0.868 2.770 ( 0.511 0.767 -0.712) 1.165 2.834 ( -4.735 0.348 6.733) 8.238 2.967 ( 1.645 -0.631 -2.490) 3.050 3.090 ( 1.033 -0.449 -1.207) 1.651 3.258 ( 1.524 0.071 -2.191) 2.670 3.334 ( 0.756 0.068 -0.716) 1.043 3.459 ( 0.223 -0.805 -0.524) 0.986 3.479 ( -1.453 1.232 2.139) 2.864 3.794 ( 1.807 0.359 -2.166) 2.844 3.915 ( -2.123 -0.183 2.388) 3.200 4.067 ( -0.692 0.154 0.787) 1.059 4.246 ( -3.040 -0.092 4.121) 5.122 4.479 ( -1.347 -0.368 1.069) 1.758 4.579 ( 5.304 0.126 -6.270) 8.213 4.807 ( -1.948 0.338 2.223) 2.975 4.842 ( -0.845 0.234 1.138) 1.437 4.996 ( 3.964 -0.799 -5.512) 6.836 5.093 ( -0.610 -0.274 1.400) 1.552 5.129 ( -0.539 -0.004 1.348) 1.452 5.183 ( -1.382 0.312 1.370) 1.971 5.514 ( 3.449 -0.306 -4.019) 5.305 5.967 ( 2.126 -0.410 -2.771) 3.516 6.143 ( 3.154 0.548 -3.774) 4.949 6.447 ( -5.743 0.309 7.187) 9.205 6.864 ( 0.735 0.280 -1.064) 1.323 7.528 ( -4.344 -2.022 5.245) 7.104 7.773 ( -0.282 -0.958 0.111) 1.004 8.071 ( -1.840 0.526 1.981) 2.754 8.444 ( -0.070 0.824 2.239) 2.386 8.491 ( 3.423 1.222 -5.773) 6.822 8.701 ( 2.107 -0.469 -0.663) 2.258 10.000 ( -0.134 0.110 0.289) 0.337 10.071 ( 0.284 0.103 -0.726) 0.786 10.128 ( 0.425 -0.611 0.340) 0.818 10.186 ( 0.113 0.166 -0.089) 0.219 12.971 ( -2.064 0.156 2.162) 2.993 13.377 ( -0.744 -0.508 -0.482) 1.022 13.424 ( 3.991 -0.654 -3.453) 5.318 13.623 ( -1.707 -2.152 1.871) 3.324 13.931 ( -4.083 -2.417 8.523) 9.755 13.967 ( -4.068 0.925 1.158) 4.330 14.299 ( 0.782 2.142 -1.603) 2.788 14.522 ( 3.595 1.337 -5.541) 6.740 16.204 ( 0.239 -0.231 -0.422) 0.538 16.375 ( -2.616 0.517 -1.964) 3.312 16.479 ( 0.583 1.206 2.309) 2.669 16.887 ( 4.885 -0.833 -0.026) 4.956 ======================= Grid point 56 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -9.890 3.184 3.087) 10.838 0.425 ( -0.214 11.294 4.525) 12.169 0.671 ( -12.037 6.638 12.705) 18.718 0.689 ( -3.715 3.648 5.099) 7.288 1.018 ( 7.176 0.384 -9.427) 11.854 1.068 ( 4.747 -4.147 -9.932) 11.763 1.137 ( 5.438 1.435 -6.438) 8.548 1.279 ( -1.210 -5.550 3.388) 6.613 1.433 ( -3.031 -2.261 2.881) 4.754 1.623 ( -3.623 0.073 3.747) 5.212 1.684 ( -0.698 -0.066 0.573) 0.905 1.756 ( -1.345 -0.150 0.629) 1.492 1.918 ( 1.549 -0.065 -1.919) 2.467 2.010 ( -2.258 0.360 3.324) 4.035 2.102 ( 4.522 -0.576 -7.393) 8.685 2.234 ( 0.730 -4.095 0.873) 4.251 2.293 ( -0.291 -1.138 0.687) 1.361 2.363 ( -2.873 -2.108 3.126) 4.741 2.426 ( 0.658 -0.463 -0.403) 0.899 2.748 ( -0.064 1.544 -0.033) 1.546 2.837 ( -4.232 0.228 6.384) 7.662 2.976 ( 0.750 -1.095 -2.271) 2.631 3.097 ( 1.270 -0.337 -1.407) 1.926 3.254 ( 1.917 0.105 -2.529) 3.175 3.334 ( 0.733 0.101 -0.512) 0.900 3.457 ( -2.997 1.406 4.414) 5.518 3.465 ( 1.483 -0.260 -2.945) 3.308 3.789 ( 1.518 0.120 -2.044) 2.549 3.908 ( -1.602 0.293 0.888) 1.855 4.071 ( -0.391 -0.426 1.159) 1.295 4.250 ( -2.564 0.434 4.476) 5.176 4.484 ( -3.095 -1.105 2.510) 4.135 4.586 ( 5.211 -0.497 -5.660) 7.710 4.792 ( -1.776 1.391 2.115) 3.092 4.829 ( -1.268 0.927 1.458) 2.143 4.990 ( 3.164 0.082 -6.516) 7.244 5.086 ( -1.442 0.651 1.168) 1.966 5.140 ( -0.216 -0.134 1.242) 1.268 5.180 ( -0.418 -0.091 0.601) 0.738 5.530 ( 3.601 -1.249 -3.751) 5.347 5.970 ( 1.980 -0.175 -3.032) 3.626 6.127 ( 2.977 1.243 -3.136) 4.499 6.448 ( -5.444 0.076 7.514) 9.279 6.860 ( 0.958 0.139 -1.151) 1.504 7.582 ( -7.127 -4.900 7.288) 11.310 7.795 ( -0.781 -1.849 -0.029) 2.007 8.055 ( -1.586 0.986 1.677) 2.510 8.406 ( -0.741 2.116 -1.144) 2.517 8.505 ( 3.499 -1.543 -2.375) 4.502 8.739 ( 5.713 -0.022 1.372) 5.875 10.002 ( 0.046 -0.167 0.378) 0.416 10.066 ( 0.062 0.146 -0.584) 0.605 10.145 ( 0.788 -0.364 0.454) 0.979 10.185 ( 0.351 0.000 -0.203) 0.406 12.969 ( -1.831 -0.180 2.030) 2.740 13.387 ( 0.718 -1.017 -0.268) 1.273 13.442 ( 3.362 -0.083 -2.620) 4.264 13.651 ( -3.488 -3.200 -3.190) 5.709 13.934 ( -2.982 -0.081 2.927) 4.180 14.034 ( -8.100 -5.779 15.784) 18.658 14.239 ( 1.225 3.584 -2.452) 4.512 14.515 ( 3.332 -1.386 -5.551) 6.621 16.211 ( 1.026 -0.028 -0.319) 1.075 16.327 ( -2.833 0.543 -1.111) 3.091 16.463 ( 1.110 3.034 1.691) 3.647 16.922 ( 7.982 2.567 -3.182) 8.968 ======================= Grid point 57 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.184 ( -11.819 2.165 4.798) 12.938 0.294 ( -3.905 7.948 9.584) 13.049 0.545 ( -16.851 6.005 22.975) 29.118 0.645 ( -3.424 1.746 2.949) 4.845 1.009 ( 6.439 -0.960 -8.998) 11.107 1.093 ( 6.239 3.155 -7.466) 10.229 1.125 ( 7.942 -3.531 -11.006) 14.024 1.394 ( -0.566 -5.045 2.615) 5.710 1.451 ( -5.451 -0.652 5.058) 7.465 1.624 ( -4.049 -0.688 4.131) 5.825 1.674 ( -1.304 1.029 1.151) 2.021 1.749 ( 0.304 -0.344 -2.350) 2.395 1.925 ( 2.080 -0.576 -1.984) 2.931 2.009 ( -1.828 0.434 3.087) 3.614 2.095 ( 4.773 -0.196 -7.441) 8.842 2.287 ( -1.046 -1.299 -1.037) 1.964 2.326 ( 1.377 -2.043 0.370) 2.492 2.389 ( -2.295 -0.978 3.350) 4.177 2.447 ( -0.951 -1.627 1.925) 2.694 2.723 ( 0.040 1.092 -0.156) 1.104 2.843 ( -4.177 0.358 6.667) 7.875 2.983 ( -0.694 -1.394 -2.756) 3.166 3.101 ( 1.038 -0.112 -1.753) 2.040 3.252 ( 1.907 -0.136 -2.506) 3.152 3.335 ( 0.590 0.296 -0.214) 0.694 3.441 ( -3.473 0.684 3.963) 5.314 3.461 ( 1.520 -0.107 -2.534) 2.957 3.784 ( 1.642 0.485 -2.199) 2.787 3.894 ( -1.299 0.068 -0.424) 1.368 4.089 ( 0.729 -0.898 -0.034) 1.157 4.256 ( -1.929 0.066 5.025) 5.383 4.512 ( -6.212 -4.114 5.071) 9.012 4.601 ( 4.058 -0.631 -4.798) 6.316 4.761 ( -1.702 1.816 1.998) 3.192 4.813 ( -1.351 0.908 1.256) 2.056 4.959 ( 3.103 0.739 -7.416) 8.073 5.076 ( -0.728 0.176 1.135) 1.359 5.142 ( -1.185 -0.049 1.355) 1.801 5.181 ( 0.212 -0.103 -1.031) 1.057 5.560 ( 3.692 -1.283 -3.297) 5.113 5.964 ( 1.726 0.094 -3.275) 3.703 6.119 ( 2.317 -0.092 -1.866) 2.977 6.456 ( -5.371 -0.045 7.902) 9.554 6.860 ( 1.187 -0.006 -1.013) 1.560 7.684 ( -13.834 -11.096 6.909) 19.033 7.817 ( -0.836 -1.375 -0.245) 1.627 8.039 ( -1.154 0.675 1.406) 1.941 8.349 ( 1.535 3.020 -5.081) 6.107 8.561 ( 1.893 -2.369 2.070) 3.672 8.847 ( 6.270 -5.086 6.997) 10.684 10.009 ( 0.406 0.050 0.299) 0.507 10.063 ( -0.576 -0.429 0.106) 0.726 10.151 ( -0.073 0.566 -1.208) 1.336 10.188 ( 0.487 -0.090 -0.244) 0.553 12.973 ( -1.615 -0.211 2.012) 2.588 13.408 ( 6.251 1.766 -3.774) 7.512 13.446 ( -2.280 -1.250 0.805) 2.722 13.591 ( -7.406 1.093 -6.214) 9.729 13.950 ( -3.673 -1.429 3.341) 5.167 14.178 ( 1.762 2.378 -3.230) 4.381 14.321 ( -11.406 -24.318 29.176) 39.658 14.549 ( 4.448 -2.219 -1.459) 5.180 16.211 ( 0.602 0.568 0.090) 0.832 16.309 ( -0.899 -0.793 -0.461) 1.284 16.422 ( 0.422 3.155 0.694) 3.258 16.811 ( 10.712 16.675 -17.093) 26.172 ======================= Grid point 59 (24/88) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( -6.189 -0.000 10.416) 12.116 0.344 ( 9.310 0.000 6.406) 11.301 0.571 ( -4.480 -0.000 1.469) 4.715 0.678 ( -9.898 -0.000 22.364) 24.457 1.060 ( 5.544 0.000 -3.620) 6.622 1.074 ( 11.951 0.000 -13.197) 17.804 1.153 ( 10.532 0.000 -12.525) 16.364 1.419 ( -6.233 -0.000 6.572) 9.058 1.456 ( -2.327 -0.000 1.708) 2.887 1.623 ( -4.383 -0.000 5.276) 6.859 1.665 ( 0.230 0.000 1.067) 1.091 1.710 ( 1.967 0.000 -3.602) 4.104 1.953 ( 1.734 0.000 -1.168) 2.091 2.019 ( -1.885 -0.000 2.923) 3.478 2.089 ( 7.145 0.000 -7.757) 10.546 2.240 ( -2.219 -0.000 0.176) 2.226 2.342 ( -0.714 -0.000 -2.352) 2.458 2.422 ( -2.228 -0.000 -0.353) 2.256 2.431 ( -3.961 -0.000 6.066) 7.245 2.705 ( -0.535 -0.000 -0.041) 0.537 2.859 ( -4.947 -0.000 6.470) 8.145 2.970 ( 3.271 0.000 -2.668) 4.221 3.066 ( -0.179 -0.000 -2.161) 2.168 3.257 ( 2.949 0.000 -2.625) 3.948 3.327 ( 0.099 0.000 -0.594) 0.603 3.413 ( -2.526 -0.000 2.502) 3.555 3.483 ( 1.684 0.000 -0.885) 1.902 3.786 ( 2.080 0.000 -1.378) 2.495 3.891 ( 1.845 0.000 -0.536) 1.921 4.108 ( 1.437 0.000 -1.873) 2.361 4.234 ( -4.874 -0.000 2.430) 5.446 4.491 ( -3.806 -0.000 4.231) 5.691 4.594 ( 2.144 0.000 -2.902) 3.608 4.743 ( -1.901 -0.000 2.478) 3.123 4.808 ( -1.568 -0.000 1.954) 2.505 4.917 ( 5.348 0.000 -5.332) 7.552 5.078 ( 0.185 0.000 -0.555) 0.585 5.157 ( -2.568 -0.000 2.827) 3.819 5.201 ( 2.633 0.000 -1.481) 3.021 5.586 ( 2.806 0.000 -3.839) 4.755 5.945 ( 1.410 0.000 -1.865) 2.338 6.098 ( -0.309 -0.000 -2.083) 2.105 6.475 ( -6.295 -0.000 7.526) 9.812 6.876 ( 1.179 0.000 -0.650) 1.347 7.557 ( -6.679 -0.000 5.205) 8.468 7.819 ( 0.839 0.000 -0.515) 0.984 8.039 ( -0.647 -0.000 1.163) 1.331 8.291 ( 3.280 0.000 -3.462) 4.769 8.703 ( -11.679 -0.000 2.369) 11.917 8.748 ( 3.372 0.000 6.469) 7.296 10.025 ( 0.402 0.000 0.517) 0.655 10.060 ( 0.145 0.000 -0.460) 0.483 10.079 ( -1.534 -0.000 1.953) 2.484 10.196 ( 0.090 0.000 -0.055) 0.106 13.021 ( 0.397 0.000 3.251) 3.276 13.327 ( 0.693 0.000 -4.725) 4.775 13.427 ( -3.916 -0.000 1.734) 4.283 13.590 ( 2.026 0.000 1.660) 2.619 13.870 ( -4.972 -0.000 0.542) 5.001 14.123 ( 2.676 0.000 -4.556) 5.284 14.495 ( -14.821 -0.000 3.387) 15.203 14.768 ( 7.996 0.000 4.755) 9.303 16.261 ( 2.633 0.000 1.415) 2.989 16.313 ( -1.202 -0.000 -0.211) 1.221 16.338 ( -1.408 -0.000 -2.091) 2.521 16.520 ( 4.731 0.000 -2.061) 5.160 ======================= Grid point 60 (25/88) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( -0.534 -4.301 8.198) 9.273 0.483 ( 3.331 -2.459 2.439) 4.805 0.578 ( -1.277 -3.739 3.469) 5.257 0.763 ( -8.919 -2.276 18.027) 20.241 1.065 ( 9.091 0.643 -8.711) 12.607 1.103 ( 7.166 -0.015 -7.975) 10.721 1.132 ( 10.473 1.428 -11.728) 15.788 1.390 ( -3.735 3.821 3.524) 6.401 1.432 ( -3.398 0.789 3.989) 5.299 1.620 ( -3.939 0.317 5.381) 6.676 1.686 ( -0.003 -1.180 0.614) 1.330 1.701 ( 1.873 0.618 -1.765) 2.646 1.950 ( 1.123 0.818 -0.777) 1.592 2.024 ( -2.309 -0.107 2.859) 3.677 2.094 ( 7.622 0.535 -7.611) 10.785 2.204 ( -1.839 2.002 -0.468) 2.759 2.311 ( -1.601 0.392 -1.501) 2.230 2.397 ( -1.974 1.515 1.491) 2.901 2.422 ( -3.123 1.076 3.733) 4.985 2.715 ( -0.136 -1.504 -0.157) 1.518 2.859 ( -4.911 0.269 6.110) 7.844 2.974 ( 2.878 0.518 -2.419) 3.795 3.056 ( -0.075 -0.631 -1.990) 2.089 3.266 ( 2.565 -0.178 -2.296) 3.447 3.328 ( 0.321 -0.461 -0.985) 1.133 3.414 ( -1.958 -0.283 2.650) 3.308 3.490 ( 1.290 -0.043 -0.756) 1.496 3.798 ( 2.010 -0.402 -1.354) 2.456 3.897 ( 1.549 0.599 -0.212) 1.675 4.094 ( -0.021 0.980 -0.646) 1.174 4.226 ( -3.892 -1.165 2.184) 4.613 4.485 ( -2.089 0.557 3.141) 3.813 4.588 ( 2.547 0.200 -3.498) 4.332 4.763 ( -1.649 -1.943 2.248) 3.398 4.807 ( -1.785 -0.013 1.967) 2.656 4.939 ( 5.727 -0.769 -4.253) 7.175 5.079 ( 0.267 -0.376 -0.713) 0.849 5.150 ( -2.423 0.748 2.933) 3.878 5.192 ( 1.776 1.244 -1.112) 2.437 5.568 ( 2.904 1.414 -4.447) 5.496 5.947 ( 1.495 -0.222 -1.679) 2.259 6.093 ( 0.530 -1.226 -2.468) 2.807 6.469 ( -6.473 0.255 7.085) 9.600 6.879 ( 1.056 0.196 -0.790) 1.333 7.536 ( -4.256 0.928 4.546) 6.296 7.815 ( 0.906 1.084 -0.208) 1.428 8.048 ( -0.689 -0.717 1.303) 1.639 8.330 ( 3.624 -3.329 -3.398) 5.980 8.632 ( -6.416 0.452 0.323) 6.440 8.783 ( 1.773 3.843 5.461) 6.909 10.026 ( -0.169 0.578 0.629) 0.871 10.060 ( 0.817 -0.244 -0.760) 1.142 10.089 ( -1.386 -0.830 1.292) 2.069 10.195 ( -0.027 0.072 -0.098) 0.124 13.025 ( -0.371 1.917 3.097) 3.661 13.330 ( 1.442 -2.907 -5.548) 6.428 13.403 ( -3.719 0.353 1.630) 4.076 13.608 ( 0.149 0.541 2.583) 2.643 13.840 ( -4.587 -0.606 1.709) 4.933 14.114 ( 1.969 0.359 -4.407) 4.840 14.362 ( -7.151 4.496 3.410) 9.109 14.815 ( 6.482 5.418 3.715) 9.229 16.245 ( 0.209 2.618 -0.508) 2.675 16.309 ( -3.376 -1.989 -0.211) 3.924 16.371 ( 2.928 -3.465 -0.229) 4.542 16.625 ( 1.775 -7.841 -2.571) 8.440 ======================= Grid point 61 (26/88) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 1.822 -0.783 2.822) 3.449 0.553 ( -1.960 -6.527 3.259) 7.554 0.691 ( 2.172 -3.579 3.013) 5.158 0.832 ( -8.557 -1.373 12.390) 15.120 1.029 ( 7.131 3.406 -10.042) 12.779 1.100 ( 7.139 1.096 -4.693) 8.613 1.141 ( 8.336 -0.168 -9.967) 12.994 1.301 ( -2.815 4.893 3.054) 6.418 1.413 ( -1.462 1.728 1.931) 2.975 1.623 ( -3.647 -0.323 4.689) 5.949 1.688 ( 0.099 0.320 -0.510) 0.610 1.720 ( 0.087 -0.965 2.107) 2.319 1.939 ( 0.746 0.742 -0.599) 1.210 2.023 ( -2.177 0.076 2.306) 3.172 2.091 ( 6.118 1.033 -5.792) 8.488 2.152 ( -0.077 1.591 -1.644) 2.289 2.287 ( -0.599 0.216 -1.441) 1.576 2.352 ( -4.127 3.025 5.569) 7.563 2.411 ( -0.627 -0.136 -0.024) 0.642 2.745 ( 0.455 -1.810 -0.611) 1.963 2.853 ( -5.262 0.460 6.473) 8.355 2.969 ( 2.642 0.666 -2.546) 3.729 3.060 ( 0.308 -1.112 -1.586) 1.962 3.269 ( 1.785 0.340 -1.935) 2.655 3.332 ( 0.797 -0.306 -1.217) 1.486 3.428 ( -1.119 -0.820 2.230) 2.626 3.494 ( 0.318 0.044 -0.170) 0.363 3.809 ( 2.166 0.015 -1.913) 2.890 3.900 ( -0.247 -0.005 1.349) 1.371 4.074 ( -1.114 0.558 0.422) 1.315 4.230 ( -3.172 -0.884 2.424) 4.089 4.481 ( -1.056 0.370 1.717) 2.049 4.585 ( 3.736 -0.024 -4.718) 6.018 4.803 ( -0.970 -2.094 1.420) 2.709 4.807 ( -2.168 -0.175 2.458) 3.282 4.971 ( 5.612 -0.618 -4.302) 7.098 5.085 ( 0.332 -0.284 0.178) 0.472 5.134 ( -1.717 0.889 2.289) 2.996 5.186 ( -0.190 0.032 0.025) 0.194 5.536 ( 3.259 1.384 -4.649) 5.843 5.953 ( 1.797 -0.314 -2.085) 2.770 6.112 ( 1.820 -1.888 -3.159) 4.105 6.458 ( -6.358 0.281 6.892) 9.381 6.876 ( 0.829 0.351 -0.937) 1.299 7.518 ( -3.338 0.914 4.265) 5.493 7.796 ( 0.683 1.633 0.056) 1.771 8.066 ( -1.117 -0.788 1.794) 2.256 8.404 ( 4.796 -3.093 -2.472) 6.220 8.581 ( -2.910 0.315 -2.105) 3.605 8.728 ( -0.677 5.516 2.823) 6.233 10.015 ( -0.434 0.741 0.477) 0.982 10.068 ( 0.879 -0.347 -0.905) 1.308 10.100 ( -0.808 -0.800 0.731) 1.352 10.192 ( -0.096 0.129 -0.121) 0.201 13.002 ( -1.541 1.849 2.514) 3.480 13.360 ( 2.982 -2.300 -5.226) 6.441 13.380 ( -2.714 -0.167 0.902) 2.865 13.613 ( -1.140 0.711 3.445) 3.697 13.845 ( -4.398 -1.976 4.340) 6.487 14.066 ( -0.246 3.112 -2.466) 3.978 14.301 ( -1.506 0.441 0.818) 1.769 14.745 ( 4.752 8.987 -0.131) 10.167 16.207 ( -0.219 0.934 -0.836) 1.273 16.317 ( -4.830 -2.897 -0.472) 5.652 16.460 ( 4.031 -2.636 0.701) 4.867 16.750 ( 1.251 -6.679 -1.074) 6.879 ======================= Grid point 62 (27/88) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -2.363 2.667 2.772) 4.515 0.670 ( 1.203 -2.653 -0.181) 2.919 0.758 ( 0.500 -0.775 3.365) 3.489 0.824 ( -7.886 2.061 8.105) 11.494 0.973 ( 4.191 1.419 -6.630) 7.971 1.097 ( 5.814 1.605 -5.124) 7.914 1.115 ( 5.461 2.543 -7.241) 9.419 1.247 ( -1.269 1.296 2.094) 2.771 1.384 ( -0.064 0.989 -0.329) 1.044 1.630 ( -2.766 -0.226 3.325) 4.331 1.682 ( -0.664 0.178 0.714) 0.991 1.747 ( -1.316 -0.579 2.864) 3.205 1.928 ( 0.714 0.557 -1.012) 1.358 2.020 ( -1.799 0.149 2.305) 2.928 2.085 ( 4.131 0.420 -4.429) 6.071 2.137 ( 1.115 -0.694 -1.578) 2.053 2.278 ( 0.714 -0.286 -1.175) 1.404 2.317 ( -4.432 1.194 5.696) 7.315 2.412 ( 0.235 -0.412 -0.649) 0.804 2.769 ( 0.813 -0.844 -1.052) 1.575 2.845 ( -5.742 0.404 6.832) 8.934 2.964 ( 2.494 0.336 -2.752) 3.729 3.074 ( 0.664 -1.106 -1.153) 1.730 3.261 ( 1.344 0.469 -1.587) 2.132 3.334 ( 0.969 -0.081 -1.238) 1.574 3.448 ( 0.192 -0.613 0.315) 0.715 3.492 ( -1.184 0.147 1.387) 1.830 3.806 ( 2.169 0.642 -2.337) 3.252 3.909 ( -1.994 -0.284 2.608) 3.296 4.066 ( -0.946 -0.139 0.814) 1.256 4.238 ( -3.026 -0.776 3.411) 4.626 4.477 ( -0.828 0.300 1.032) 1.357 4.583 ( 4.908 0.143 -6.000) 7.753 4.808 ( -1.868 -0.077 2.296) 2.961 4.834 ( -1.022 -1.145 1.278) 1.997 4.989 ( 4.846 -0.033 -4.975) 6.945 5.095 ( -0.176 0.008 0.956) 0.972 5.128 ( -1.243 -0.236 1.484) 1.950 5.183 ( -1.213 0.003 1.095) 1.634 5.515 ( 3.416 0.530 -4.504) 5.677 5.959 ( 2.044 -0.364 -2.446) 3.209 6.136 ( 2.855 -1.164 -3.722) 4.833 6.451 ( -6.041 0.078 7.034) 9.272 6.869 ( 0.710 0.363 -0.977) 1.261 7.512 ( -3.377 -0.047 4.453) 5.588 7.775 ( 0.191 1.080 0.052) 1.097 8.076 ( -1.585 -0.051 2.165) 2.683 8.464 ( 3.109 -0.615 -0.126) 3.171 8.527 ( 1.103 2.984 -4.691) 5.668 8.678 ( -1.156 -0.791 0.741) 1.584 10.004 ( -0.471 0.368 0.439) 0.742 10.071 ( 0.657 0.022 -0.972) 1.173 10.117 ( -0.049 -1.033 0.424) 1.117 10.188 ( -0.049 0.123 -0.175) 0.220 12.978 ( -1.960 0.971 2.165) 3.078 13.362 ( -1.984 -0.086 1.609) 2.556 13.402 ( 4.809 -2.261 -5.965) 7.989 13.614 ( -2.100 0.381 3.303) 3.932 13.889 ( -5.304 -3.087 6.875) 9.215 13.991 ( -0.915 3.202 -0.351) 3.349 14.304 ( 0.327 -0.639 -1.009) 1.238 14.613 ( 3.893 8.078 -3.660) 9.686 16.202 ( 1.045 -0.374 -0.433) 1.191 16.313 ( -4.880 -1.722 -0.657) 5.217 16.523 ( 2.782 -0.245 1.402) 3.125 16.859 ( 1.882 -5.001 -0.852) 5.411 ======================= Grid point 63 (28/88) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -4.721 5.629 3.158) 7.997 0.624 ( 1.109 7.146 0.248) 7.235 0.756 ( -3.038 3.376 2.896) 5.387 0.764 ( -8.713 4.316 11.342) 14.940 0.974 ( 4.454 -3.067 -7.562) 9.297 1.049 ( 7.244 3.212 -8.702) 11.769 1.124 ( 3.686 -2.524 -3.818) 5.877 1.244 ( -0.289 -0.253 1.703) 1.745 1.387 ( -0.887 -1.838 0.103) 2.044 1.627 ( -2.637 0.546 3.219) 4.197 1.680 ( -0.976 -0.080 0.928) 1.349 1.754 ( -1.945 0.315 2.189) 2.945 1.919 ( 1.261 0.278 -1.697) 2.132 2.018 ( -1.661 0.211 2.394) 2.921 2.082 ( 3.866 -0.214 -5.867) 7.029 2.172 ( 0.260 -3.232 -0.355) 3.262 2.288 ( 0.062 -0.199 1.062) 1.082 2.321 ( -3.267 -1.885 3.183) 4.935 2.419 ( 0.603 -0.470 -0.641) 0.997 2.769 ( 0.423 0.779 -0.608) 1.075 2.841 ( -5.272 -0.177 6.294) 8.212 2.961 ( 1.960 -0.031 -2.633) 3.283 3.089 ( 1.008 -0.663 -1.244) 1.733 3.257 ( 1.592 0.172 -1.715) 2.347 3.335 ( 0.776 -0.084 -0.968) 1.244 3.452 ( 0.591 0.006 -1.405) 1.524 3.487 ( -1.809 0.697 2.677) 3.305 3.796 ( 1.843 0.572 -2.145) 2.886 3.907 ( -2.131 0.344 1.804) 2.813 4.071 ( -0.738 -0.288 1.473) 1.672 4.252 ( -3.266 -0.665 4.300) 5.441 4.473 ( -1.203 0.099 1.322) 1.790 4.584 ( 5.497 -0.179 -6.342) 8.394 4.807 ( -1.899 0.363 2.503) 3.163 4.839 ( -1.104 0.378 0.854) 1.446 4.983 ( 4.123 0.654 -6.016) 7.322 5.087 ( -1.386 0.461 0.363) 1.505 5.140 ( -0.407 -0.541 0.805) 1.052 5.182 ( -1.195 0.099 1.757) 2.127 5.515 ( 3.578 -0.672 -4.317) 5.647 5.964 ( 2.042 -0.164 -2.683) 3.376 6.143 ( 3.180 0.307 -3.793) 4.959 6.452 ( -5.764 -0.171 7.383) 9.368 6.864 ( 0.823 0.225 -0.881) 1.226 7.525 ( -4.453 -1.433 4.959) 6.817 7.769 ( -0.153 -0.451 -0.188) 0.511 8.071 ( -1.696 0.751 2.154) 2.842 8.437 ( -0.597 3.135 -1.981) 3.756 8.500 ( 3.312 -0.726 -1.684) 3.786 8.731 ( 1.576 -3.616 -0.230) 3.951 10.001 ( -0.421 -0.109 0.589) 0.732 10.067 ( 0.759 0.226 -1.039) 1.307 10.136 ( -0.094 -0.917 0.149) 0.934 10.185 ( 0.167 -0.015 -0.231) 0.286 12.967 ( -1.814 0.151 2.138) 2.809 13.370 ( -1.529 -0.943 2.758) 3.292 13.438 ( 6.255 -1.498 -7.247) 9.690 13.603 ( -3.206 0.475 1.576) 3.604 13.918 ( -4.986 -0.542 3.152) 5.924 13.989 ( -3.450 -2.878 8.725) 9.813 14.293 ( 1.172 2.203 -1.422) 2.872 14.519 ( 4.145 2.422 -4.489) 6.572 16.224 ( 2.391 -0.264 0.084) 2.407 16.292 ( -3.450 -0.638 -0.410) 3.533 16.531 ( 0.695 2.190 1.670) 2.840 16.929 ( 2.058 -2.545 -3.782) 5.002 ======================= Grid point 64 (29/88) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( -5.372 6.447 4.702) 9.620 0.499 ( 0.776 9.711 4.761) 10.843 0.673 ( -6.705 3.903 6.600) 10.185 0.686 ( -8.912 5.744 13.659) 17.291 1.005 ( 7.655 0.353 -8.921) 11.760 1.044 ( 7.097 -4.043 -8.790) 12.000 1.141 ( 6.770 1.460 -7.875) 10.487 1.306 ( -1.657 -5.548 3.423) 6.726 1.418 ( -3.222 -2.049 2.736) 4.697 1.617 ( -3.305 0.410 3.853) 5.092 1.680 ( -0.444 -0.056 0.370) 0.581 1.738 ( -1.383 0.617 0.064) 1.516 1.920 ( 1.758 -0.360 -1.712) 2.480 2.019 ( -1.358 0.110 2.251) 2.631 2.079 ( 4.633 -0.438 -6.735) 8.186 2.227 ( -0.971 -3.333 -1.351) 3.725 2.305 ( -0.749 -1.262 2.360) 2.779 2.358 ( -2.236 -2.566 2.016) 3.956 2.429 ( -0.243 -0.629 0.228) 0.712 2.747 ( 0.161 1.548 -0.253) 1.577 2.848 ( -4.815 -0.421 6.007) 7.710 2.960 ( 1.514 -0.143 -2.408) 2.848 3.094 ( 1.014 -0.130 -1.829) 2.096 3.256 ( 2.225 0.201 -2.299) 3.205 3.338 ( 0.508 -0.143 -0.547) 0.760 3.440 ( -1.219 0.464 -0.160) 1.314 3.477 ( -0.215 0.863 1.348) 1.615 3.790 ( 1.838 0.263 -1.923) 2.674 3.890 ( -1.251 0.669 0.404) 1.475 4.082 ( -0.620 -0.529 1.420) 1.637 4.262 ( -3.498 -0.307 4.381) 5.615 4.472 ( -2.250 -0.270 2.500) 3.374 4.592 ( 4.714 -0.425 -5.697) 7.407 4.794 ( -1.485 1.545 2.088) 2.992 4.820 ( -1.767 0.795 1.094) 2.225 4.956 ( 4.017 1.173 -6.793) 7.979 5.074 ( -0.712 -0.163 0.219) 0.763 5.141 ( -0.991 0.171 0.453) 1.103 5.182 ( -0.517 0.290 0.968) 1.135 5.538 ( 3.667 -1.720 -3.960) 5.665 5.960 ( 1.824 0.220 -2.849) 3.390 6.131 ( 2.601 0.947 -3.157) 4.199 6.461 ( -5.706 -0.324 7.705) 9.593 6.864 ( 1.039 0.018 -0.730) 1.270 7.550 ( -6.592 -2.539 5.456) 8.926 7.785 ( 0.034 -1.525 -0.437) 1.587 8.055 ( -1.366 1.024 1.834) 2.506 8.376 ( 1.368 2.282 -3.301) 4.240 8.550 ( 2.076 -2.519 1.743) 3.701 8.796 ( -1.040 -3.335 -0.348) 3.511 10.008 ( -0.358 -0.441 0.791) 0.974 10.062 ( 0.842 0.310 -0.990) 1.336 10.140 ( -1.229 0.006 -0.586) 1.361 10.188 ( 0.382 -0.167 -0.129) 0.436 12.970 ( -1.551 -0.254 2.346) 2.824 13.405 ( -1.589 -1.750 3.530) 4.248 13.448 ( 6.262 0.283 -9.073) 11.028 13.565 ( -3.092 1.403 1.182) 3.595 13.913 ( -4.288 -1.002 2.522) 5.074 14.117 ( -6.972 -7.945 12.113) 16.077 14.242 ( 2.028 2.556 0.156) 3.266 14.544 ( 5.348 -2.421 -1.399) 6.035 16.233 ( 0.228 0.717 0.499) 0.903 16.291 ( 1.139 -0.652 -0.233) 1.333 16.486 ( -1.462 3.688 1.270) 4.166 16.898 ( 0.679 3.297 -10.181) 10.723 ======================= Grid point 67 (30/88) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( -5.787 -0.000 7.773) 9.690 0.520 ( -4.483 -0.000 2.900) 5.339 0.578 ( 8.990 0.000 4.085) 9.874 0.781 ( -9.117 -0.000 14.458) 17.093 1.083 ( 10.780 0.000 -13.019) 16.903 1.101 ( 5.130 0.000 -4.142) 6.593 1.160 ( 10.733 0.000 -11.831) 15.974 1.419 ( -4.226 -0.000 5.951) 7.299 1.435 ( -3.248 -0.000 2.408) 4.043 1.629 ( -4.350 -0.000 6.036) 7.440 1.681 ( 0.915 0.000 -0.433) 1.012 1.715 ( 1.976 0.000 -0.453) 2.027 1.958 ( 0.514 0.000 -0.873) 1.013 2.024 ( -3.125 -0.000 3.720) 4.859 2.113 ( 8.878 0.000 -8.414) 12.231 2.210 ( -1.893 -0.000 0.567) 1.976 2.284 ( -2.350 -0.000 -1.269) 2.671 2.392 ( 0.253 0.000 -1.857) 1.874 2.444 ( -4.886 -0.000 6.531) 8.156 2.698 ( -0.375 -0.000 0.172) 0.412 2.859 ( -5.176 -0.000 5.764) 7.747 2.988 ( 2.849 0.000 -2.249) 3.629 3.036 ( -0.154 -0.000 -1.456) 1.464 3.270 ( 2.157 0.000 -1.906) 2.879 3.319 ( 0.377 0.000 -1.078) 1.142 3.416 ( -1.682 -0.000 2.918) 3.368 3.496 ( 1.545 0.000 -1.000) 1.840 3.803 ( 2.014 0.000 -1.284) 2.388 3.917 ( 1.931 0.000 -0.668) 2.043 4.101 ( 1.414 0.000 -2.463) 2.840 4.193 ( -4.263 -0.000 2.880) 5.145 4.495 ( -2.092 -0.000 3.109) 3.747 4.587 ( 1.934 0.000 -3.049) 3.610 4.747 ( -2.272 -0.000 3.114) 3.855 4.805 ( -1.681 -0.000 1.692) 2.385 4.956 ( 5.398 0.000 -2.571) 5.979 5.071 ( 0.369 0.000 -0.930) 1.000 5.150 ( -2.620 -0.000 2.526) 3.639 5.216 ( 1.864 0.000 -1.850) 2.626 5.572 ( 2.667 0.000 -4.788) 5.481 5.948 ( 1.331 0.000 -1.022) 1.678 6.067 ( 0.212 0.000 -2.184) 2.194 6.464 ( -6.552 -0.000 6.682) 9.358 6.883 ( 1.107 0.000 -1.071) 1.541 7.544 ( -3.717 -0.000 4.889) 6.142 7.832 ( 0.780 0.000 0.318) 0.843 8.044 ( -0.472 -0.000 0.831) 0.956 8.299 ( 2.990 0.000 -3.073) 4.288 8.588 ( -5.167 -0.000 0.263) 5.174 8.879 ( 1.579 0.000 4.942) 5.188 10.035 ( -0.088 -0.000 0.513) 0.521 10.060 ( 0.674 0.000 -0.742) 1.002 10.081 ( -1.257 -0.000 1.676) 2.095 10.193 ( -0.068 -0.000 -0.268) 0.277 13.067 ( -0.064 -0.000 2.566) 2.567 13.273 ( 0.841 0.000 -4.358) 4.438 13.387 ( -3.376 -0.000 1.708) 3.783 13.632 ( -1.071 -0.000 4.074) 4.213 13.808 ( -3.950 -0.000 1.618) 4.268 14.109 ( 3.411 0.000 -5.067) 6.108 14.349 ( -7.037 -0.000 0.966) 7.103 14.941 ( 4.176 0.000 3.807) 5.651 16.267 ( -2.233 -0.000 -0.912) 2.412 16.318 ( 1.214 0.000 -1.122) 1.653 16.323 ( 2.486 0.000 0.789) 2.608 16.549 ( 1.902 0.000 -1.144) 2.220 ======================= Grid point 68 (31/88) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -2.802 -8.206 2.768) 9.102 0.504 ( -3.018 0.335 4.651) 5.554 0.689 ( 4.877 -2.120 2.494) 5.874 0.805 ( -9.671 -1.863 10.328) 14.271 1.066 ( 8.702 1.902 -11.597) 14.623 1.119 ( 5.218 -0.881 -5.895) 7.922 1.160 ( 10.081 1.151 -9.036) 13.586 1.381 ( -3.006 4.072 3.246) 6.013 1.433 ( -2.791 0.308 3.809) 4.732 1.630 ( -4.402 0.407 6.105) 7.537 1.686 ( 0.625 -0.062 -0.669) 0.918 1.732 ( 1.128 -0.110 1.281) 1.710 1.950 ( 0.228 0.526 -0.852) 1.027 2.021 ( -3.252 0.076 3.400) 4.706 2.122 ( 8.318 0.831 -8.108) 11.645 2.177 ( -1.107 2.176 0.567) 2.506 2.268 ( -1.179 -0.527 -0.852) 1.547 2.385 ( 0.398 0.071 -1.097) 1.169 2.424 ( -4.648 2.159 5.838) 7.768 2.713 ( -0.032 -1.632 0.053) 1.633 2.853 ( -5.550 0.027 5.722) 7.972 2.989 ( 2.541 0.734 -2.016) 3.326 3.035 ( 0.365 -0.788 -1.043) 1.357 3.274 ( 1.647 0.041 -1.741) 2.397 3.321 ( 0.742 -0.607 -1.295) 1.611 3.426 ( -1.738 -0.317 3.297) 3.740 3.499 ( 1.260 0.282 -1.008) 1.638 3.811 ( 1.721 -0.165 -1.466) 2.267 3.917 ( 1.209 0.830 -0.446) 1.532 4.083 ( 0.084 1.101 -0.930) 1.444 4.198 ( -2.920 -1.510 2.159) 3.933 4.494 ( -1.626 0.500 2.613) 3.118 4.582 ( 2.637 -0.060 -3.625) 4.483 4.767 ( -2.260 -1.890 3.011) 4.213 4.803 ( -1.637 -0.105 1.620) 2.306 4.986 ( 4.750 -0.218 -2.433) 5.342 5.075 ( 0.296 -0.646 -0.302) 0.772 5.145 ( -2.547 0.140 2.562) 3.616 5.200 ( 1.452 1.462 -1.798) 2.735 5.551 ( 3.044 1.024 -5.038) 5.975 5.953 ( 1.602 0.010 -1.317) 2.073 6.072 ( 1.042 -1.690 -2.359) 3.083 6.454 ( -6.383 0.085 6.488) 9.102 6.882 ( 0.993 0.284 -1.290) 1.652 7.540 ( -3.271 0.990 5.166) 6.194 7.830 ( 0.500 1.257 0.659) 1.504 8.053 ( -0.718 -0.850 1.106) 1.569 8.346 ( 3.679 -4.539 -3.263) 6.692 8.546 ( -3.394 0.530 -0.786) 3.523 8.855 ( -0.415 5.873 1.857) 6.173 10.028 ( -0.488 0.816 0.348) 1.013 10.063 ( 0.800 -0.310 -0.735) 1.130 10.088 ( -0.938 -0.562 1.212) 1.633 10.191 ( -0.074 0.024 -0.342) 0.351 13.048 ( -1.121 2.770 1.870) 3.525 13.293 ( 2.344 -3.525 -4.256) 6.003 13.372 ( -2.713 0.320 2.105) 3.449 13.644 ( -1.939 0.955 5.334) 5.755 13.806 ( -3.491 -1.574 3.518) 5.200 14.091 ( 2.882 1.408 -4.869) 5.830 14.297 ( -3.477 0.666 0.309) 3.554 14.920 ( 2.005 6.772 0.166) 7.065 16.226 ( -0.382 1.930 -1.355) 2.389 16.271 ( -1.155 1.341 0.641) 1.882 16.427 ( 2.865 -4.943 0.225) 5.717 16.626 ( 0.776 -6.929 -0.841) 7.023 ======================= Grid point 69 (32/88) ======================= q-point: ( 0.57 0.29 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -0.530 -0.598 2.710) 2.825 0.553 ( -2.483 -6.875 -0.042) 7.310 0.748 ( -0.440 -1.733 0.108) 1.791 0.824 ( -8.351 -1.298 9.290) 12.560 1.009 ( 7.327 3.240 -10.278) 13.031 1.129 ( 4.347 0.446 -4.871) 6.544 1.162 ( 8.616 1.468 -8.191) 11.978 1.297 ( -3.226 4.562 3.444) 6.563 1.415 ( -0.770 2.065 1.319) 2.568 1.629 ( -3.787 0.034 5.120) 6.368 1.685 ( -0.239 0.202 0.228) 0.387 1.752 ( -0.441 -0.251 2.466) 2.518 1.936 ( 0.363 0.553 -1.079) 1.265 2.018 ( -2.658 -0.220 2.825) 3.885 2.113 ( 6.621 1.424 -6.907) 9.673 2.142 ( -0.275 1.520 0.756) 1.719 2.265 ( 0.074 -0.370 -0.906) 0.981 2.364 ( -3.274 2.792 5.143) 6.705 2.403 ( -0.212 -0.261 -0.110) 0.354 2.745 ( 0.493 -1.783 -0.512) 1.919 2.844 ( -6.015 0.120 5.874) 8.408 2.980 ( 2.427 0.977 -2.086) 3.346 3.053 ( 0.883 -1.202 -0.759) 1.673 3.271 ( 1.384 0.410 -1.611) 2.163 3.329 ( 1.043 -0.440 -1.510) 1.888 3.443 ( -1.662 -0.683 3.087) 3.572 3.493 ( 0.515 0.410 -0.866) 1.087 3.814 ( 1.725 0.157 -2.182) 2.786 3.912 ( -0.670 0.305 1.368) 1.553 4.064 ( -0.726 0.378 0.447) 0.933 4.217 ( -2.311 -1.391 2.360) 3.585 4.488 ( -1.070 0.671 1.834) 2.227 4.582 ( 3.934 -0.119 -5.025) 6.383 4.801 ( -2.764 -1.094 2.887) 4.144 4.809 ( -0.674 -1.296 1.393) 2.018 5.004 ( 4.373 0.344 -3.396) 5.548 5.091 ( -0.070 -0.902 0.345) 0.969 5.133 ( -2.018 0.903 2.118) 3.062 5.182 ( 0.037 0.307 -0.393) 0.500 5.525 ( 3.425 0.977 -4.888) 6.048 5.957 ( 2.019 -0.071 -1.874) 2.756 6.103 ( 2.260 -2.254 -2.947) 4.344 6.446 ( -6.111 -0.104 6.659) 9.039 6.874 ( 0.844 0.366 -1.284) 1.580 7.529 ( -3.187 1.268 5.202) 6.231 7.807 ( 0.185 2.013 0.401) 2.061 8.071 ( -1.339 -0.791 1.845) 2.413 8.453 ( 5.804 -5.175 -4.082) 8.782 8.504 ( -2.781 0.464 -1.279) 3.096 8.729 ( -1.722 6.636 -0.270) 6.861 10.011 ( -0.621 0.687 0.290) 0.971 10.069 ( 0.840 -0.163 -0.957) 1.284 10.102 ( -0.457 -0.914 0.912) 1.370 10.187 ( -0.053 0.050 -0.328) 0.336 13.003 ( -1.784 2.148 1.834) 3.341 13.351 ( 3.904 -3.388 -5.049) 7.225 13.363 ( -1.674 0.259 2.588) 3.092 13.639 ( -2.419 1.568 4.912) 5.695 13.846 ( -4.126 -2.409 6.221) 7.844 14.040 ( 1.602 3.140 -3.153) 4.730 14.282 ( -0.635 -0.940 -0.719) 1.343 14.771 ( 1.641 9.608 -4.050) 10.555 16.204 ( 1.335 -0.023 -0.421) 1.400 16.256 ( -2.573 -0.636 0.554) 2.707 16.524 ( 1.833 -3.011 1.066) 3.683 16.750 ( 0.223 -7.215 -1.257) 7.328 ======================= Grid point 70 (33/88) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -2.157 4.989 4.058) 6.783 0.626 ( -1.627 -4.546 -3.120) 5.749 0.754 ( -4.644 -1.091 0.491) 4.795 0.835 ( -5.525 1.216 8.841) 10.496 0.955 ( 6.175 1.657 -7.756) 10.051 1.109 ( 3.402 1.598 -4.162) 5.608 1.125 ( 6.746 3.445 -6.940) 10.273 1.250 ( -2.147 0.480 2.107) 3.047 1.380 ( 0.771 1.615 -0.751) 1.941 1.635 ( -2.814 -0.069 4.061) 4.941 1.679 ( -0.822 0.237 0.734) 1.127 1.761 ( -1.866 0.310 2.715) 3.310 1.923 ( 0.818 0.393 -1.380) 1.652 2.021 ( -2.102 -0.184 2.434) 3.222 2.089 ( 3.917 1.592 -4.669) 6.299 2.137 ( 0.819 -0.673 -0.795) 1.325 2.273 ( 0.630 -1.158 -1.120) 1.730 2.326 ( -3.964 2.068 5.646) 7.202 2.412 ( 0.870 -0.549 -0.712) 1.251 2.769 ( 0.897 -0.764 -1.012) 1.553 2.833 ( -5.865 -0.127 5.954) 8.358 2.969 ( 2.145 0.767 -2.179) 3.153 3.076 ( 1.091 -0.986 -0.794) 1.671 3.264 ( 1.434 0.420 -1.562) 2.161 3.332 ( 0.858 -0.174 -1.243) 1.521 3.455 ( -0.009 0.229 0.431) 0.488 3.488 ( -1.359 -0.281 1.137) 1.794 3.805 ( 1.752 0.521 -2.587) 3.167 3.911 ( -2.059 0.307 2.635) 3.358 4.066 ( -0.654 -0.564 1.047) 1.357 4.238 ( -2.786 -1.078 3.530) 4.624 4.480 ( -0.730 0.556 1.256) 1.556 4.582 ( 5.005 -0.116 -6.217) 7.982 4.809 ( -2.109 -0.279 2.632) 3.384 4.834 ( -0.809 -0.752 1.115) 1.569 4.998 ( 4.370 1.199 -4.869) 6.651 5.091 ( -1.164 0.896 0.370) 1.515 5.128 ( -1.124 -0.723 1.287) 1.855 5.183 ( -0.998 -0.291 1.491) 1.818 5.511 ( 3.582 0.254 -4.565) 5.809 5.962 ( 2.185 -0.061 -2.282) 3.160 6.136 ( 3.141 -1.250 -3.595) 4.935 6.448 ( -5.924 -0.379 7.039) 9.208 6.868 ( 0.804 0.209 -1.037) 1.328 7.519 ( -3.574 0.601 4.924) 6.114 7.777 ( -0.027 1.461 -0.024) 1.462 8.079 ( -1.796 0.014 2.247) 2.876 8.461 ( -1.680 1.599 -1.771) 2.918 8.511 ( 4.992 0.320 -4.858) 6.973 8.676 ( -0.424 -2.381 0.799) 2.548 10.001 ( -0.514 0.153 0.396) 0.666 10.070 ( 1.006 0.088 -1.059) 1.464 10.121 ( -0.377 -0.894 0.550) 1.115 10.185 ( 0.087 -0.032 -0.244) 0.260 12.976 ( -1.814 0.864 2.141) 2.936 13.370 ( -1.358 -0.294 3.483) 3.750 13.402 ( 5.326 -2.433 -6.624) 8.841 13.616 ( -2.738 1.904 3.125) 4.570 13.887 ( -5.204 -1.303 6.031) 8.071 13.997 ( -0.080 0.856 1.521) 1.747 14.300 ( 0.844 -1.259 -0.938) 1.783 14.601 ( 2.581 7.160 -5.748) 9.537 16.236 ( 1.600 -0.716 0.546) 1.835 16.254 ( -0.560 -1.338 0.207) 1.465 16.565 ( -0.752 0.102 1.885) 2.032 16.845 ( 0.173 -4.926 -3.257) 5.907 ======================= Grid point 71 (34/88) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -1.975 6.490 4.474) 8.127 0.643 ( 0.736 2.064 1.664) 2.751 0.704 ( -5.302 2.785 1.088) 6.087 0.801 ( -6.980 3.742 11.535) 13.992 0.964 ( 5.960 -2.390 -6.493) 9.132 1.062 ( 7.197 2.850 -7.535) 10.803 1.130 ( 4.930 -2.078 -5.836) 7.917 1.253 ( -1.795 -1.257 1.934) 2.923 1.378 ( 0.253 -1.315 -0.339) 1.382 1.633 ( -2.887 0.892 4.148) 5.132 1.676 ( -0.528 -0.129 0.436) 0.697 1.746 ( -2.161 1.144 1.722) 2.991 1.919 ( 1.252 -0.025 -1.243) 1.765 2.021 ( -0.824 -0.050 1.037) 1.325 2.071 ( 2.873 0.221 -3.825) 4.789 2.160 ( 0.473 -2.181 -1.892) 2.926 2.298 ( 1.019 -1.657 -1.750) 2.616 2.312 ( -4.654 -0.372 5.872) 7.502 2.421 ( 0.319 -0.303 -0.323) 0.546 2.769 ( 0.696 0.823 -0.781) 1.331 2.836 ( -5.070 -0.719 5.808) 7.743 2.961 ( 1.968 0.365 -2.268) 3.025 3.088 ( 0.970 -0.231 -1.352) 1.680 3.261 ( 1.776 0.067 -1.915) 2.613 3.334 ( 0.580 -0.192 -0.742) 0.962 3.443 ( 0.050 0.845 -0.529) 0.998 3.490 ( -1.377 0.074 1.736) 2.217 3.796 ( 1.926 0.189 -2.289) 2.997 3.900 ( -1.840 0.882 2.204) 3.003 4.078 ( -0.854 -0.450 1.187) 1.530 4.252 ( -3.633 -0.606 4.112) 5.521 4.475 ( -0.709 0.258 1.191) 1.410 4.586 ( 5.137 -0.315 -6.276) 8.116 4.810 ( -2.210 0.254 2.828) 3.599 4.832 ( -0.649 0.931 0.445) 1.219 4.973 ( 4.701 1.594 -6.062) 7.835 5.070 ( -0.861 0.390 0.496) 1.068 5.136 ( -1.127 -0.212 0.837) 1.419 5.189 ( -1.090 0.040 1.744) 2.057 5.516 ( 3.659 -0.937 -4.261) 5.694 5.962 ( 2.054 0.240 -2.586) 3.311 6.144 ( 3.088 0.410 -3.776) 4.895 6.456 ( -5.942 -0.541 7.351) 9.467 6.867 ( 0.857 -0.014 -0.740) 1.133 7.517 ( -4.210 -0.407 4.523) 6.192 7.766 ( 0.225 -0.350 -0.264) 0.493 8.072 ( -1.696 0.702 2.169) 2.842 8.405 ( 1.284 2.150 -2.698) 3.681 8.531 ( 1.945 -2.094 -0.303) 2.874 8.732 ( -0.583 -2.748 -0.833) 2.930 10.003 ( -0.373 -0.336 0.568) 0.758 10.069 ( 1.107 0.271 -1.054) 1.553 10.127 ( -0.915 -0.162 0.031) 0.929 10.187 ( 0.229 -0.203 -0.058) 0.312 12.971 ( -1.639 -0.047 2.535) 3.019 13.395 ( -1.481 -0.845 3.565) 3.952 13.426 ( 4.756 -0.974 -7.883) 9.258 13.580 ( -1.715 1.421 1.741) 2.827 13.888 ( -4.505 -0.077 3.959) 5.998 14.039 ( -3.436 -3.735 5.979) 7.843 14.300 ( 1.379 1.988 -0.806) 2.550 14.537 ( 4.634 -0.888 -3.409) 5.821 16.232 ( -1.922 -0.024 0.413) 1.966 16.310 ( 5.229 -0.860 0.216) 5.303 16.534 ( -3.690 2.780 1.882) 4.988 16.863 ( -0.185 -0.391 -5.756) 5.772 ======================= Grid point 75 (35/88) ======================= q-point: ( 0.43 0.43 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( -6.637 -0.000 3.808) 7.651 0.522 ( -3.403 -0.000 6.886) 7.681 0.711 ( 1.390 0.000 -2.291) 2.679 0.771 ( -9.305 -0.000 10.851) 14.294 1.079 ( 9.231 0.000 -11.781) 14.966 1.108 ( 5.133 0.000 -6.763) 8.490 1.192 ( 9.164 0.000 -8.326) 12.381 1.418 ( -3.142 -0.000 2.802) 4.210 1.435 ( -2.889 -0.000 4.948) 5.730 1.639 ( -5.262 -0.000 7.002) 8.759 1.689 ( 1.105 0.000 -0.823) 1.378 1.747 ( 0.705 0.000 1.234) 1.421 1.948 ( 0.010 0.000 -1.083) 1.084 2.016 ( -3.857 -0.000 3.739) 5.372 2.142 ( 7.645 0.000 -8.058) 11.107 2.202 ( 0.220 0.000 0.770) 0.801 2.248 ( -0.286 -0.000 -0.416) 0.505 2.378 ( 1.324 0.000 -1.980) 2.382 2.447 ( -5.230 -0.000 6.147) 8.070 2.698 ( -0.206 -0.000 0.538) 0.576 2.844 ( -5.653 -0.000 5.215) 7.691 3.004 ( 2.245 0.000 -1.619) 2.768 3.028 ( 0.663 0.000 -0.202) 0.693 3.275 ( 1.364 0.000 -1.570) 2.080 3.312 ( 0.649 0.000 -1.072) 1.253 3.431 ( -1.928 -0.000 3.396) 3.905 3.507 ( 1.455 0.000 -1.061) 1.800 3.813 ( 1.414 0.000 -1.555) 2.101 3.931 ( 1.172 0.000 -1.224) 1.695 4.090 ( 1.778 0.000 -2.885) 3.389 4.175 ( -3.306 -0.000 3.642) 4.919 4.503 ( -1.829 -0.000 2.781) 3.328 4.578 ( 2.254 0.000 -3.165) 3.886 4.751 ( -2.749 -0.000 3.569) 4.505 4.798 ( -1.529 -0.000 1.220) 1.956 5.002 ( 3.166 0.000 -2.046) 3.769 5.073 ( 0.579 0.000 0.316) 0.660 5.141 ( -2.303 -0.000 2.230) 3.206 5.212 ( 1.437 0.000 -2.687) 3.047 5.550 ( 3.166 0.000 -5.229) 6.113 5.959 ( 1.584 0.000 -1.022) 1.885 6.050 ( 1.282 0.000 -2.013) 2.386 6.445 ( -6.162 -0.000 6.228) 8.762 6.883 ( 1.034 0.000 -1.640) 1.939 7.563 ( -3.336 -0.000 6.598) 7.393 7.852 ( -0.052 -0.000 1.554) 1.555 8.045 ( -0.533 -0.000 0.560) 0.773 8.306 ( 2.670 0.000 -2.876) 3.924 8.523 ( -1.751 -0.000 -1.598) 2.370 8.902 ( -2.143 -0.000 -1.301) 2.507 10.033 ( -0.697 -0.000 0.056) 0.700 10.062 ( 0.812 0.000 -0.724) 1.088 10.083 ( -1.015 -0.000 1.413) 1.740 10.187 ( 0.054 0.000 -0.530) 0.533 13.079 ( -1.398 -0.000 0.751) 1.587 13.250 ( 2.454 0.000 -2.708) 3.654 13.372 ( -2.010 -0.000 2.839) 3.479 13.684 ( -2.616 -0.000 8.403) 8.801 13.790 ( -2.280 -0.000 3.552) 4.221 14.096 ( 4.206 0.000 -6.009) 7.335 14.273 ( -2.786 -0.000 -0.386) 2.813 14.979 ( -1.022 -0.000 -2.393) 2.603 16.236 ( 0.006 0.000 -0.827) 0.827 16.339 ( 0.969 0.000 1.440) 1.736 16.351 ( 0.634 0.000 -0.856) 1.065 16.560 ( 1.002 0.000 -0.695) 1.220 ======================= Grid point 76 (36/88) ======================= q-point: (-0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -4.148 -9.290 0.294) 10.179 0.539 ( -2.873 0.802 6.903) 7.520 0.682 ( -5.788 -1.887 -2.386) 6.539 0.791 ( -8.031 -1.608 9.243) 12.350 1.051 ( 8.485 2.346 -11.240) 14.277 1.119 ( 5.974 -1.196 -7.338) 9.537 1.197 ( 7.530 1.179 -7.494) 10.689 1.373 ( -3.152 4.057 2.915) 5.906 1.443 ( -2.019 0.548 3.474) 4.055 1.638 ( -5.352 0.469 6.836) 8.695 1.689 ( 0.544 0.242 -0.398) 0.716 1.761 ( -0.165 -0.167 1.670) 1.686 1.937 ( 0.216 0.316 -1.308) 1.362 2.010 ( -3.413 -0.118 3.251) 4.715 2.137 ( 5.655 0.915 -6.607) 8.745 2.192 ( 1.742 2.306 0.463) 2.927 2.256 ( 0.728 -0.478 -0.279) 0.915 2.385 ( 1.845 -0.601 -1.564) 2.492 2.424 ( -5.013 2.110 5.752) 7.917 2.716 ( 0.019 -1.537 0.343) 1.575 2.832 ( -5.794 -0.057 5.225) 7.802 3.003 ( 1.932 0.854 -1.413) 2.542 3.042 ( 1.272 -0.662 -0.005) 1.434 3.274 ( 1.284 0.087 -1.799) 2.212 3.318 ( 0.869 -0.622 -1.145) 1.567 3.439 ( -2.746 -0.304 3.928) 4.802 3.505 ( 1.469 0.703 -1.499) 2.213 3.812 ( 1.135 -0.062 -1.790) 2.120 3.923 ( 0.328 0.604 -0.617) 0.924 4.074 ( 0.661 1.018 -1.130) 1.659 4.189 ( -2.169 -1.408 2.823) 3.828 4.503 ( -1.659 0.465 2.683) 3.188 4.578 ( 3.069 -0.165 -3.849) 4.926 4.769 ( -2.875 -1.734 3.425) 4.796 4.798 ( -1.200 -0.523 1.184) 1.765 5.015 ( 2.689 -0.433 -2.282) 3.553 5.082 ( 0.043 -0.225 0.405) 0.465 5.139 ( -2.136 0.012 2.204) 3.069 5.192 ( 1.063 1.128 -2.283) 2.759 5.535 ( 3.545 0.715 -5.075) 6.232 5.964 ( 1.981 0.148 -1.452) 2.460 6.066 ( 2.042 -1.792 -2.145) 3.462 6.439 ( -5.897 -0.113 6.328) 8.651 6.877 ( 0.954 0.237 -1.731) 1.991 7.570 ( -3.502 1.607 7.469) 8.405 7.846 ( -0.436 1.643 1.413) 2.211 8.054 ( -0.983 -1.011 1.043) 1.754 8.359 ( 2.981 -5.342 -3.044) 6.833 8.495 ( -0.387 0.441 -2.178) 2.255 8.809 ( -2.867 5.293 -4.041) 7.250 10.019 ( -0.708 0.670 -0.148) 0.986 10.066 ( 0.777 -0.222 -0.685) 1.059 10.091 ( -0.791 -0.647 1.282) 1.640 10.184 ( 0.124 0.002 -0.540) 0.554 13.040 ( -1.960 2.476 0.756) 3.247 13.292 ( 3.613 -3.257 -3.163) 5.802 13.377 ( -1.402 0.330 3.566) 3.845 13.698 ( -2.677 2.501 8.248) 9.025 13.825 ( -2.586 -1.954 6.626) 7.377 14.075 ( 4.164 1.774 -6.346) 7.795 14.255 ( -1.274 -0.492 -0.723) 1.545 14.879 ( -1.532 6.099 -6.144) 8.791 16.221 ( 1.297 0.917 -0.204) 1.602 16.268 ( -0.524 3.114 0.483) 3.195 16.460 ( -0.026 -5.892 0.884) 5.958 16.624 ( 0.747 -6.156 -1.026) 6.285 ======================= Grid point 77 (37/88) ======================= q-point: (-0.29 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -3.560 -9.101 -2.097) 9.995 0.523 ( -2.629 2.754 4.565) 5.945 0.666 ( -6.140 -3.273 -0.282) 6.964 0.816 ( -9.171 -2.701 8.396) 12.724 1.001 ( 8.700 2.867 -10.020) 13.577 1.133 ( 5.381 0.219 -6.174) 8.193 1.172 ( 6.199 1.966 -8.486) 10.691 1.282 ( -4.012 4.520 3.302) 6.887 1.425 ( -0.526 2.312 1.593) 2.857 1.634 ( -4.489 -0.099 5.560) 7.147 1.685 ( -0.085 0.421 0.206) 0.477 1.769 ( -1.374 0.179 2.130) 2.541 1.926 ( 0.555 0.270 -1.320) 1.457 2.011 ( -2.805 -0.507 2.866) 4.042 2.122 ( 5.744 1.168 -6.614) 8.837 2.162 ( 0.417 2.773 1.689) 3.273 2.265 ( 1.057 0.024 -0.532) 1.184 2.377 ( -4.201 2.861 5.366) 7.391 2.405 ( 1.448 -0.685 -0.963) 1.870 2.747 ( 0.450 -1.674 -0.335) 1.766 2.823 ( -5.462 -0.142 5.558) 7.794 2.989 ( 1.612 1.164 -1.625) 2.568 3.067 ( 1.559 -0.781 -0.328) 1.774 3.270 ( 1.533 0.212 -2.161) 2.658 3.326 ( 0.821 -0.393 -1.052) 1.391 3.451 ( -3.431 -0.849 4.184) 5.477 3.489 ( 1.565 0.924 -2.211) 2.862 3.807 ( 1.297 0.255 -2.364) 2.708 3.916 ( -1.198 0.124 1.516) 1.936 4.062 ( -0.216 0.153 0.402) 0.482 4.218 ( -1.954 -1.446 2.974) 3.841 4.495 ( -1.268 0.838 2.008) 2.518 4.579 ( 4.215 -0.048 -5.300) 6.772 4.796 ( -2.506 -1.253 2.782) 3.949 4.817 ( -0.802 -1.398 1.540) 2.229 5.022 ( 3.571 0.684 -3.583) 5.105 5.089 ( -0.940 -0.582 0.684) 1.300 5.126 ( -1.646 0.828 1.441) 2.339 5.178 ( -0.254 -0.177 0.177) 0.357 5.519 ( 3.660 0.756 -4.602) 5.929 5.967 ( 2.257 0.165 -1.996) 3.017 6.107 ( 2.897 -2.231 -2.851) 4.637 6.439 ( -5.755 -0.374 6.698) 8.839 6.869 ( 0.874 0.164 -1.498) 1.742 7.553 ( -3.884 2.346 6.761) 8.143 7.812 ( -0.470 2.399 0.613) 2.520 8.070 ( -1.738 -0.870 1.777) 2.634 8.433 ( -0.874 -1.896 -1.910) 2.829 8.506 ( 5.567 -2.255 -4.760) 7.664 8.674 ( -2.009 3.113 -2.049) 4.234 10.003 ( -0.431 0.389 -0.020) 0.581 10.071 ( 0.800 -0.129 -0.753) 1.106 10.108 ( -0.414 -0.856 1.046) 1.414 10.183 ( 0.157 -0.047 -0.383) 0.417 12.994 ( -2.112 1.551 1.562) 3.051 13.355 ( 4.713 -2.843 -4.683) 7.227 13.387 ( -1.102 0.250 3.749) 3.916 13.671 ( -2.367 3.688 5.449) 6.993 13.879 ( -4.064 -0.866 8.390) 9.363 14.025 ( 1.822 2.175 -3.660) 4.631 14.265 ( 0.247 -2.018 -1.275) 2.399 14.698 ( -0.019 7.467 -7.852) 10.836 16.233 ( -1.292 0.655 0.332) 1.486 16.250 ( 3.804 -1.584 0.700) 4.180 16.536 ( -3.050 -3.077 1.409) 4.556 16.738 ( 2.004 -6.129 -1.642) 6.654 ======================= Grid point 78 (38/88) ======================= q-point: (-0.14 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -5.069 3.110 3.700) 7.005 0.602 ( 0.378 -6.830 -0.027) 6.840 0.678 ( -4.333 -1.785 2.071) 5.124 0.835 ( -7.584 -0.857 7.374) 10.612 0.969 ( 6.555 1.549 -6.134) 9.111 1.110 ( 3.840 2.238 -4.596) 6.393 1.122 ( 6.116 1.731 -9.075) 11.080 1.235 ( -2.464 -0.107 1.770) 3.036 1.389 ( 0.687 2.010 0.044) 2.124 1.640 ( -3.650 -0.313 4.235) 5.600 1.678 ( -0.173 0.373 0.434) 0.597 1.759 ( -2.157 0.851 2.113) 3.138 1.921 ( 0.786 0.029 -0.922) 1.212 2.016 ( -2.230 -0.411 2.277) 3.213 2.092 ( 4.122 2.179 -4.548) 6.513 2.144 ( 1.030 0.519 -0.398) 1.220 2.269 ( 0.278 -0.452 -0.396) 0.662 2.334 ( -3.576 1.964 4.505) 6.077 2.418 ( 0.784 -0.252 -0.589) 1.012 2.770 ( 0.875 -0.732 -0.979) 1.503 2.824 ( -5.021 -0.402 6.214) 7.999 2.972 ( 1.611 0.837 -2.057) 2.744 3.085 ( 1.263 -0.301 -0.912) 1.587 3.263 ( 1.584 0.209 -2.226) 2.740 3.331 ( 0.648 -0.189 -0.687) 0.963 3.459 ( -0.681 0.703 1.035) 1.424 3.481 ( -0.833 -0.742 0.555) 1.246 3.797 ( 1.637 0.157 -2.469) 2.967 3.913 ( -2.054 0.408 2.729) 3.439 4.069 ( -0.559 -0.557 0.703) 1.057 4.241 ( -2.908 -0.692 3.830) 4.858 4.484 ( -0.909 0.595 1.114) 1.556 4.580 ( 5.030 -0.253 -6.269) 8.041 4.809 ( -2.121 -0.396 2.470) 3.280 4.838 ( -0.620 -0.359 1.086) 1.300 5.001 ( 4.208 1.669 -5.179) 6.878 5.081 ( -0.850 0.884 1.220) 1.730 5.126 ( -1.172 -0.608 1.334) 1.877 5.186 ( -1.178 -0.488 1.436) 1.920 5.511 ( 3.579 0.113 -4.141) 5.475 5.967 ( 2.239 0.283 -2.497) 3.366 6.140 ( 3.238 -0.976 -3.637) 4.966 6.446 ( -5.828 -0.545 7.053) 9.166 6.867 ( 0.784 -0.085 -1.086) 1.342 7.526 ( -4.007 1.535 5.239) 6.772 7.775 ( -0.174 1.451 0.107) 1.466 8.076 ( -1.995 -0.177 2.055) 2.870 8.426 ( 0.186 0.576 -0.770) 0.980 8.512 ( 3.030 -0.256 -4.681) 5.582 8.684 ( 0.893 -2.516 -0.284) 2.685 9.999 ( -0.203 -0.086 0.206) 0.302 10.073 ( 0.765 0.038 -0.786) 1.097 10.121 ( -0.265 -0.207 0.454) 0.565 10.184 ( 0.161 -0.208 -0.099) 0.281 12.975 ( -1.982 0.308 2.244) 3.010 13.394 ( 2.316 -0.910 -3.720) 4.475 13.401 ( 0.992 -0.410 0.861) 1.376 13.617 ( -1.632 3.064 2.484) 4.269 13.894 ( -4.221 0.830 6.723) 7.982 14.004 ( -1.909 -0.809 1.332) 2.464 14.303 ( 0.995 -1.989 -1.040) 2.455 14.555 ( 2.587 3.244 -6.551) 7.755 16.219 ( -1.362 0.048 0.077) 1.365 16.333 ( 5.798 -2.206 0.375) 6.215 16.531 ( -5.946 0.165 1.255) 6.079 16.823 ( 2.869 -2.225 -1.775) 4.042 ======================= Grid point 83 (39/88) ======================= q-point: (-0.43 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.198 ( -7.053 -0.000 4.550) 8.394 0.574 ( -2.942 -0.000 7.658) 8.204 0.579 ( -9.530 -0.000 -1.858) 9.709 0.757 ( -11.643 -0.000 8.555) 14.448 1.067 ( 8.159 0.000 -11.062) 13.745 1.103 ( 6.298 0.000 -7.735) 9.974 1.219 ( 7.473 0.000 -8.394) 11.238 1.405 ( -2.345 -0.000 2.130) 3.168 1.454 ( -3.054 -0.000 4.919) 5.790 1.645 ( -5.872 -0.000 7.368) 9.422 1.692 ( 0.309 0.000 -0.623) 0.696 1.767 ( -0.276 -0.000 1.222) 1.253 1.933 ( 0.535 0.000 -1.668) 1.752 2.002 ( -3.452 -0.000 3.280) 4.762 2.144 ( 4.400 0.000 -5.951) 7.401 2.237 ( 3.238 0.000 -0.458) 3.270 2.261 ( 1.794 0.000 0.076) 1.796 2.385 ( 2.491 0.000 -1.612) 2.967 2.436 ( -5.539 -0.000 5.257) 7.637 2.705 ( -0.189 -0.000 0.837) 0.858 2.819 ( -5.552 -0.000 5.185) 7.597 3.019 ( 1.915 0.000 -1.196) 2.258 3.051 ( 1.466 0.000 0.618) 1.591 3.273 ( 1.250 0.000 -1.976) 2.338 3.311 ( 0.691 0.000 -0.649) 0.947 3.441 ( -2.984 -0.000 3.979) 4.974 3.514 ( 1.389 0.000 -1.468) 2.021 3.807 ( 0.805 0.000 -1.908) 2.071 3.924 ( 0.113 0.000 -1.145) 1.151 4.084 ( 2.235 0.000 -2.854) 3.625 4.180 ( -2.710 -0.000 4.197) 4.996 4.512 ( -2.048 -0.000 3.430) 3.995 4.576 ( 2.819 0.000 -3.248) 4.301 4.752 ( -2.946 -0.000 3.463) 4.547 4.788 ( -1.163 -0.000 0.763) 1.391 5.011 ( 1.755 0.000 -1.999) 2.660 5.083 ( -0.238 -0.000 0.045) 0.242 5.136 ( -1.804 -0.000 2.028) 2.714 5.195 ( 1.307 0.000 -2.856) 3.141 5.538 ( 3.835 0.000 -4.941) 6.255 5.972 ( 2.056 0.000 -1.542) 2.570 6.055 ( 2.388 0.000 -1.739) 2.954 6.433 ( -5.632 -0.000 6.320) 8.466 6.874 ( 0.967 0.000 -1.992) 2.215 7.621 ( -3.984 -0.000 11.085) 11.779 7.867 ( -1.296 -0.000 2.038) 2.415 8.042 ( -0.746 -0.000 0.559) 0.932 8.309 ( 2.396 0.000 -2.857) 3.729 8.476 ( 0.255 0.000 -3.768) 3.777 8.788 ( -3.523 -0.000 -6.893) 7.741 10.016 ( -0.684 -0.000 -0.597) 0.908 10.068 ( 0.749 0.000 -0.330) 0.818 10.086 ( -1.120 -0.000 1.461) 1.841 10.182 ( 0.325 0.000 -0.644) 0.721 13.046 ( -2.467 -0.000 -0.373) 2.495 13.276 ( 4.050 0.000 -1.770) 4.420 13.397 ( -1.210 -0.000 4.434) 4.596 13.781 ( -4.136 -0.000 13.938) 14.538 13.829 ( -0.868 -0.000 5.669) 5.735 14.080 ( 6.282 0.000 -9.438) 11.337 14.239 ( -1.034 -0.000 -0.141) 1.044 14.859 ( -3.010 -0.000 -8.803) 9.303 16.243 ( 1.438 0.000 0.044) 1.439 16.322 ( -1.296 -0.000 -2.226) 2.576 16.380 ( -0.048 -0.000 3.022) 3.023 16.563 ( 0.680 0.000 -0.888) 1.119 ======================= Grid point 84 (40/88) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( -5.584 -8.320 2.429) 10.310 0.507 ( -9.425 -1.690 -0.607) 9.594 0.601 ( -3.400 -0.396 6.770) 7.586 0.726 ( -14.413 -2.691 9.061) 17.236 1.043 ( 8.579 1.617 -10.874) 13.945 1.116 ( 5.697 -1.404 -7.556) 9.566 1.199 ( 5.661 1.930 -8.462) 10.362 1.361 ( -2.133 4.567 2.243) 5.517 1.457 ( -2.661 0.696 4.086) 4.926 1.639 ( -5.448 0.580 6.443) 8.458 1.690 ( -0.154 -0.003 -0.096) 0.181 1.772 ( -0.635 -0.002 1.044) 1.222 1.925 ( 0.874 0.188 -1.776) 1.989 2.000 ( -2.951 -0.329 3.161) 4.337 2.135 ( 4.311 0.411 -5.771) 7.215 2.235 ( 2.570 2.727 0.249) 3.756 2.279 ( 2.168 0.183 -0.294) 2.195 2.402 ( 2.356 -0.486 -1.140) 2.662 2.413 ( -5.265 1.395 5.040) 7.420 2.722 ( -0.074 -1.324 0.472) 1.407 2.814 ( -5.066 -0.269 5.605) 7.560 3.014 ( 1.517 1.309 -1.236) 2.354 3.071 ( 1.744 -0.333 0.184) 1.785 3.267 ( 1.452 0.062 -2.457) 2.854 3.319 ( 0.700 -0.498 -0.562) 1.027 3.441 ( -3.646 -0.023 4.169) 5.539 3.504 ( 1.443 0.935 -2.251) 2.832 3.802 ( 0.846 -0.156 -1.985) 2.163 3.915 ( -0.561 0.065 0.062) 0.569 4.074 ( 1.120 0.895 -1.136) 1.829 4.199 ( -2.044 -1.290 3.597) 4.334 4.514 ( -2.142 0.748 3.508) 4.178 4.579 ( 3.570 -0.008 -4.033) 5.386 4.766 ( -2.783 -1.611 3.128) 4.486 4.797 ( -0.789 -1.224 1.146) 1.853 5.022 ( 2.499 -0.879 -2.947) 3.963 5.078 ( -0.971 -0.138 0.326) 1.033 5.134 ( -1.679 0.289 1.854) 2.517 5.180 ( 0.791 0.584 -1.512) 1.803 5.532 ( 3.947 0.660 -4.476) 6.004 5.976 ( 2.215 0.212 -2.053) 3.028 6.079 ( 2.821 -1.555 -2.044) 3.815 6.433 ( -5.476 -0.212 6.643) 8.611 6.867 ( 0.948 0.083 -1.884) 2.110 7.632 ( -4.902 3.943 11.843) 13.411 7.850 ( -1.411 1.833 1.323) 2.665 8.049 ( -1.297 -0.997 1.063) 1.951 8.368 ( 1.803 -4.741 -0.958) 5.162 8.467 ( 3.172 -2.304 -5.514) 6.766 8.684 ( -2.530 2.723 -5.897) 6.970 10.005 ( -0.289 0.242 -0.482) 0.612 10.071 ( 0.352 -0.000 -0.138) 0.379 10.097 ( -0.579 -0.976 1.426) 1.823 10.181 ( 0.394 -0.003 -0.551) 0.677 13.008 ( -2.556 1.348 0.439) 2.923 13.322 ( 4.823 -2.264 -2.942) 6.086 13.414 ( -1.339 0.568 4.630) 4.853 13.780 ( -2.374 5.200 9.452) 11.046 13.898 ( -3.556 -1.254 10.962) 11.592 14.045 ( 4.900 1.889 -9.280) 10.663 14.232 ( -0.650 -0.452 -0.417) 0.895 14.730 ( -1.929 4.154 -9.942) 10.946 16.250 ( 0.027 1.785 -0.631) 1.893 16.266 ( 1.857 0.065 0.446) 1.910 16.447 ( -3.182 -4.018 1.337) 5.297 16.641 ( 3.044 -7.232 -0.569) 7.867 ======================= Grid point 85 (41/88) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -5.789 -6.579 4.213) 9.723 0.464 ( -6.264 -4.252 -1.400) 7.699 0.641 ( -1.986 -2.148 5.600) 6.318 0.748 ( -12.449 -5.283 8.950) 16.217 1.015 ( 8.319 1.768 -9.157) 12.497 1.131 ( 6.949 0.589 -10.933) 12.968 1.141 ( 2.933 1.374 -5.399) 6.296 1.265 ( -2.860 5.034 3.220) 6.625 1.436 ( -1.652 2.286 2.426) 3.721 1.632 ( -4.286 -0.103 4.741) 6.392 1.686 ( -0.317 0.316 0.377) 0.585 1.767 ( -1.535 0.463 1.286) 2.056 1.920 ( 0.984 -0.031 -1.445) 1.749 2.006 ( -2.656 -0.467 3.172) 4.163 2.121 ( 5.002 0.883 -6.723) 8.426 2.198 ( 0.931 3.667 1.774) 4.179 2.281 ( 1.394 0.975 -0.344) 1.736 2.372 ( -4.258 2.323 4.439) 6.576 2.418 ( 1.337 -0.198 -0.805) 1.573 2.749 ( 0.048 -1.566 -0.073) 1.569 2.821 ( -4.358 -0.411 6.047) 7.465 2.989 ( 1.065 1.384 -1.717) 2.449 3.088 ( 1.633 -0.090 -0.725) 1.789 3.262 ( 1.726 0.035 -2.833) 3.317 3.329 ( 0.692 -0.317 -0.472) 0.896 3.449 ( -3.564 -1.256 4.350) 5.762 3.482 ( 1.518 0.950 -2.710) 3.248 3.796 ( 1.275 0.145 -2.257) 2.596 3.915 ( -1.510 -0.196 1.692) 2.276 4.065 ( -0.127 0.209 0.446) 0.509 4.231 ( -2.105 -1.115 3.790) 4.477 4.497 ( -2.129 1.165 2.193) 3.270 4.579 ( 4.700 0.186 -5.461) 7.207 4.794 ( -2.193 -1.362 2.546) 3.626 4.825 ( -0.758 -1.339 1.466) 2.125 5.020 ( 3.350 0.765 -5.348) 6.357 5.086 ( -1.340 -0.761 1.832) 2.394 5.125 ( -0.768 0.458 1.573) 1.810 5.178 ( -0.468 -0.300 0.666) 0.867 5.522 ( 3.696 0.815 -3.938) 5.462 5.974 ( 2.228 0.322 -2.588) 3.430 6.118 ( 3.122 -1.800 -2.993) 4.684 6.439 ( -5.507 -0.367 7.022) 8.932 6.863 ( 0.871 -0.075 -1.487) 1.725 7.579 ( -5.418 4.245 8.058) 10.597 7.808 ( -0.950 2.318 0.455) 2.546 8.062 ( -1.875 -0.920 1.598) 2.630 8.414 ( -1.132 -1.395 1.498) 2.339 8.509 ( 5.628 0.328 -8.335) 10.062 8.652 ( 2.079 -2.847 0.072) 3.526 9.999 ( 0.033 0.090 -0.069) 0.118 10.072 ( 0.116 -0.107 -0.383) 0.415 10.121 ( 0.389 -0.535 1.040) 1.232 10.182 ( 0.319 -0.118 -0.258) 0.427 12.978 ( -2.290 0.557 1.675) 2.892 13.374 ( 4.896 -1.407 -4.500) 6.797 13.419 ( -1.238 0.664 3.479) 3.752 13.699 ( -1.846 6.203 2.834) 7.065 13.932 ( -3.534 0.864 7.420) 8.264 13.996 ( -2.438 1.377 1.258) 3.070 14.253 ( 0.681 -2.896 -1.741) 3.447 14.583 ( 0.722 3.990 -8.535) 9.449 16.216 ( -0.569 0.712 -0.495) 1.037 16.333 ( 4.283 -2.811 0.105) 5.124 16.469 ( -5.245 -2.088 0.977) 5.729 16.800 ( 6.234 -5.058 0.488) 8.043 ======================= Grid point 91 (42/88) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.166 ( -7.637 -0.000 8.937) 11.756 0.394 ( -12.607 -0.000 3.075) 12.977 0.620 ( -3.080 -0.000 6.078) 6.814 0.627 ( -19.162 -0.000 11.365) 22.279 1.050 ( 8.082 0.000 -11.008) 13.656 1.093 ( 4.041 0.000 -6.737) 7.856 1.204 ( 6.178 0.000 -10.077) 11.820 1.411 ( 0.023 0.000 1.618) 1.618 1.466 ( -4.164 -0.000 5.419) 6.834 1.645 ( -5.643 -0.000 6.693) 8.755 1.681 ( -0.984 -0.000 -0.073) 0.987 1.774 ( 0.207 0.000 -0.142) 0.251 1.923 ( 1.518 0.000 -2.146) 2.629 1.995 ( -2.684 -0.000 3.129) 4.123 2.130 ( 3.849 0.000 -6.086) 7.201 2.285 ( 2.983 0.000 -0.524) 3.028 2.298 ( 2.671 0.000 -0.551) 2.728 2.408 ( -5.830 -0.000 4.819) 7.564 2.414 ( 2.448 0.000 -0.455) 2.490 2.713 ( -0.155 -0.000 0.629) 0.648 2.809 ( -4.821 -0.000 6.100) 7.775 3.035 ( 2.092 0.000 -1.411) 2.523 3.084 ( 1.655 0.000 0.124) 1.659 3.264 ( 1.481 0.000 -2.397) 2.817 3.317 ( 0.472 0.000 -0.006) 0.472 3.443 ( -3.605 -0.000 4.408) 5.694 3.510 ( 1.462 0.000 -2.729) 3.096 3.791 ( 0.694 0.000 -2.048) 2.162 3.911 ( -0.747 -0.000 0.317) 0.811 4.086 ( 2.399 0.000 -2.468) 3.442 4.194 ( -2.951 -0.000 4.683) 5.535 4.535 ( -2.312 -0.000 5.573) 6.034 4.582 ( 3.105 0.000 -3.249) 4.494 4.749 ( -2.648 -0.000 2.913) 3.937 4.783 ( -0.585 -0.000 0.678) 0.896 5.008 ( 2.392 0.000 -3.958) 4.625 5.069 ( -1.329 -0.000 0.613) 1.464 5.137 ( -1.370 -0.000 1.983) 2.410 5.183 ( 1.154 0.000 -1.680) 2.038 5.543 ( 4.170 0.000 -4.120) 5.862 5.981 ( 2.106 0.000 -2.510) 3.277 6.078 ( 2.875 0.000 -1.533) 3.258 6.432 ( -5.314 -0.000 6.957) 8.754 6.863 ( 1.026 0.000 -1.916) 2.173 7.763 ( -4.673 -0.000 22.272) 22.757 7.861 ( -2.025 -0.000 1.185) 2.346 8.037 ( -0.970 -0.000 0.869) 1.302 8.305 ( 2.376 0.000 -3.467) 4.203 8.417 ( 0.406 0.000 -5.814) 5.828 8.643 ( -1.882 -0.000 -6.169) 6.450 10.001 ( -0.044 -0.000 -0.626) 0.627 10.080 ( 0.529 0.000 0.688) 0.868 10.085 ( -1.432 -0.000 1.575) 2.129 10.181 ( 0.571 0.000 -0.550) 0.793 13.000 ( -2.529 -0.000 0.115) 2.532 13.324 ( 4.543 0.000 -2.070) 4.993 13.441 ( -1.622 -0.000 4.876) 5.139 13.904 ( -0.703 -0.000 6.619) 6.656 13.928 ( -5.569 -0.000 16.692) 17.597 14.037 ( 8.204 0.000 -12.115) 14.631 14.239 ( -1.139 -0.000 3.590) 3.766 14.676 ( -1.772 -0.000 -10.580) 10.727 16.260 ( -1.909 -0.000 -2.326) 3.009 16.278 ( 1.952 0.000 0.483) 2.011 16.412 ( -1.189 -0.000 2.923) 3.156 16.553 ( 0.768 0.000 -2.785) 2.889 ======================= Grid point 92 (43/88) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( -5.274 -7.612 7.363) 11.831 0.344 ( -11.862 -1.950 3.514) 12.524 0.592 ( -18.324 -4.959 14.386) 23.818 0.641 ( -3.221 -1.203 5.112) 6.161 1.032 ( 7.487 0.769 -10.468) 12.893 1.101 ( 4.689 -2.140 -6.923) 8.631 1.159 ( 5.271 2.768 -9.808) 11.474 1.371 ( -0.429 5.347 1.985) 5.720 1.463 ( -4.036 0.715 4.767) 6.287 1.633 ( -4.702 0.676 5.126) 6.989 1.683 ( -1.070 -0.623 0.616) 1.383 1.769 ( -0.127 0.383 -0.646) 0.762 1.920 ( 1.740 0.208 -1.997) 2.657 1.999 ( -2.453 -0.409 3.319) 4.147 2.120 ( 4.137 0.035 -6.623) 7.809 2.278 ( 2.128 2.707 0.166) 3.447 2.309 ( 1.769 0.796 -0.720) 2.069 2.392 ( -4.578 0.611 4.352) 6.346 2.428 ( 1.241 0.394 0.235) 1.323 2.724 ( -0.168 -1.075 0.201) 1.107 2.820 ( -4.224 -0.525 6.447) 7.726 3.016 ( 0.962 2.212 -1.848) 3.038 3.097 ( 1.566 0.017 -0.741) 1.732 3.257 ( 1.688 0.177 -2.651) 3.148 3.326 ( 0.605 -0.407 -0.075) 0.733 3.437 ( -3.548 0.036 4.193) 5.493 3.488 ( 1.061 0.866 -3.161) 3.445 3.790 ( 1.179 -0.343 -2.105) 2.437 3.909 ( -1.071 -0.130 0.986) 1.462 4.079 ( 1.031 0.921 -0.693) 1.547 4.219 ( -2.282 -1.423 4.686) 5.403 4.525 ( -3.562 2.513 4.722) 6.427 4.588 ( 4.297 0.220 -4.167) 5.990 4.763 ( -2.262 -1.721 2.539) 3.811 4.805 ( -0.435 -1.534 1.533) 2.212 5.006 ( 3.011 -0.671 -6.260) 6.979 5.072 ( -1.370 -0.715 1.901) 2.450 5.137 ( -1.107 0.241 1.891) 2.204 5.181 ( 0.699 0.244 -0.234) 0.776 5.543 ( 3.959 0.841 -3.610) 5.424 5.977 ( 2.026 0.153 -2.992) 3.617 6.099 ( 2.878 -0.982 -1.995) 3.637 6.439 ( -5.279 -0.152 7.348) 9.049 6.859 ( 1.054 -0.016 -1.603) 1.918 7.720 ( -8.204 11.441 14.934) 20.524 7.836 ( -1.653 1.646 0.602) 2.409 8.042 ( -1.334 -0.792 1.196) 1.959 8.393 ( -1.351 -0.848 0.783) 1.777 8.478 ( 9.675 -7.119 -4.138) 12.705 8.614 ( 1.529 -3.363 0.362) 3.712 10.000 ( 0.383 -0.103 -0.225) 0.456 10.071 ( -0.630 0.373 0.382) 0.826 10.119 ( 0.819 -1.500 1.815) 2.493 10.183 ( 0.567 0.011 -0.364) 0.674 12.978 ( -2.205 0.434 1.353) 2.623 13.364 ( 5.131 -1.612 -3.271) 6.294 13.447 ( -2.103 1.092 4.030) 4.675 13.827 ( -0.339 8.852 -6.560) 11.023 13.938 ( -2.215 0.030 2.053) 3.021 14.066 ( -4.240 3.466 16.721) 17.596 14.219 ( -2.210 1.529 2.111) 3.417 14.580 ( 0.581 2.037 -8.785) 9.037 16.221 ( -0.755 0.808 -1.175) 1.614 16.316 ( 2.022 -1.781 -0.057) 2.696 16.411 ( -2.249 -1.451 1.302) 2.976 16.721 ( 8.863 -12.648 -1.731) 15.541 ======================= Grid point 99 (44/88) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.184 ( -7.583 -0.000 11.633) 13.886 0.254 ( -12.983 -0.000 6.338) 14.448 0.490 ( -22.250 -0.000 22.260) 31.473 0.635 ( -3.456 -0.000 3.991) 5.280 1.041 ( 9.315 0.000 -11.294) 14.640 1.056 ( 1.875 0.000 -5.287) 5.610 1.169 ( 7.803 0.000 -11.475) 13.876 1.434 ( -0.008 -0.000 1.089) 1.089 1.462 ( -5.514 -0.000 5.753) 7.969 1.641 ( -5.138 -0.000 5.704) 7.677 1.663 ( -1.406 -0.000 0.593) 1.526 1.766 ( 0.820 0.000 -2.406) 2.542 1.927 ( 2.284 0.000 -1.992) 3.030 1.998 ( -2.084 -0.000 3.125) 3.756 2.107 ( 4.362 0.000 -6.967) 8.220 2.304 ( 0.062 0.000 -0.835) 0.837 2.330 ( 2.911 0.000 -1.409) 3.234 2.391 ( -4.018 -0.000 5.299) 6.651 2.450 ( 0.706 0.000 2.219) 2.329 2.715 ( -0.013 -0.000 -0.181) 0.182 2.824 ( -4.519 -0.000 7.113) 8.427 3.038 ( 2.056 0.000 -4.778) 5.202 3.102 ( 1.251 0.000 -1.148) 1.698 3.263 ( 1.701 0.000 -1.789) 2.468 3.325 ( 0.158 0.000 0.356) 0.390 3.440 ( -3.918 -0.000 4.227) 5.764 3.484 ( 1.381 0.000 -4.687) 4.886 3.777 ( 1.080 0.000 -1.954) 2.233 3.907 ( -1.080 -0.000 0.502) 1.191 4.095 ( 2.199 0.000 -1.932) 2.927 4.224 ( -1.979 -0.000 6.805) 7.087 4.589 ( 2.982 0.000 -3.106) 4.306 4.603 ( -0.203 -0.000 6.422) 6.425 4.745 ( -2.185 -0.000 2.391) 3.239 4.788 ( -0.249 -0.000 0.996) 1.027 4.974 ( 2.813 0.000 -6.849) 7.404 5.069 ( -0.935 -0.000 1.826) 2.051 5.143 ( -1.265 -0.000 2.023) 2.386 5.187 ( 0.829 0.000 -0.835) 1.177 5.561 ( 4.036 0.000 -3.283) 5.203 5.972 ( 1.763 0.000 -3.339) 3.776 6.110 ( 3.333 0.000 -0.924) 3.459 6.446 ( -5.271 -0.000 7.797) 9.411 6.858 ( 1.200 0.000 -1.382) 1.830 7.838 ( -1.418 -0.000 -0.057) 1.419 8.023 ( 0.042 0.000 -1.128) 1.129 8.058 ( -0.829 -0.000 -0.569) 1.005 8.294 ( 2.868 0.000 -4.344) 5.205 8.527 ( 11.182 0.000 42.509) 43.955 8.580 ( 0.307 0.000 -0.869) 0.922 9.999 ( 0.503 0.000 -0.188) 0.537 10.082 ( -1.647 -0.000 1.749) 2.402 10.116 ( 1.772 0.000 2.177) 2.807 10.186 ( 0.632 0.000 -0.290) 0.695 12.975 ( -1.798 -0.000 1.715) 2.485 13.362 ( 3.732 0.000 -2.818) 4.676 13.468 ( -2.622 -0.000 3.975) 4.762 13.771 ( -4.582 -0.000 -22.454) 22.917 13.964 ( -2.489 -0.000 4.916) 5.511 14.153 ( 3.154 0.000 -0.855) 3.268 14.541 ( 12.194 0.000 45.592) 47.194 14.552 ( 2.398 0.000 -6.707) 7.123 16.210 ( -0.762 -0.000 -1.048) 1.296 16.312 ( 1.467 0.000 0.065) 1.469 16.418 ( -2.102 -0.000 1.771) 2.749 16.456 ( -4.104 -0.000 -12.788) 13.430 ======================= Grid point 100 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -5.961 -0.000 11.574) 13.019 0.431 ( -7.843 -0.000 11.382) 13.822 0.680 ( -6.418 -0.000 4.527) 7.854 0.821 ( 9.403 0.000 -12.366) 15.535 0.879 ( 2.843 0.000 -1.062) 3.035 0.908 ( 10.369 0.000 -13.311) 16.873 1.045 ( -9.840 -0.000 16.444) 19.163 1.487 ( -0.588 -0.000 1.450) 1.565 1.511 ( -2.320 -0.000 1.332) 2.675 1.615 ( 6.895 0.000 -8.653) 11.064 1.689 ( -1.823 -0.000 0.975) 2.068 1.704 ( -2.723 -0.000 2.323) 3.579 1.902 ( 2.775 0.000 -1.669) 3.238 1.923 ( 2.862 0.000 -4.646) 5.456 2.125 ( -3.460 -0.000 5.464) 6.467 2.289 ( -2.549 -0.000 1.747) 3.091 2.303 ( 2.403 0.000 -3.180) 3.986 2.434 ( 1.159 0.000 -4.438) 4.587 2.532 ( -4.284 -0.000 7.338) 8.496 2.731 ( -1.347 -0.000 0.353) 1.393 2.919 ( 1.120 0.000 -1.217) 1.654 2.980 ( -5.362 -0.000 6.505) 8.430 3.041 ( 1.647 0.000 -3.653) 4.007 3.178 ( 3.754 0.000 -4.808) 6.100 3.329 ( -0.986 -0.000 0.094) 0.990 3.398 ( 2.884 0.000 -3.213) 4.317 3.545 ( -5.620 -0.000 6.419) 8.531 3.730 ( 3.265 0.000 -3.133) 4.525 3.895 ( -1.774 -0.000 2.399) 2.984 4.054 ( 3.092 0.000 -3.813) 4.909 4.329 ( -4.564 -0.000 4.056) 6.106 4.521 ( 4.162 0.000 -4.794) 6.348 4.606 ( -6.966 -0.000 3.119) 7.633 4.767 ( 6.953 0.000 -6.372) 9.432 4.798 ( -2.500 -0.000 3.543) 4.336 4.857 ( -1.560 -0.000 0.829) 1.767 5.077 ( -0.553 -0.000 -0.301) 0.630 5.132 ( 3.363 0.000 -2.768) 4.356 5.231 ( -3.742 -0.000 5.162) 6.376 5.481 ( 5.866 0.000 -7.077) 9.192 5.941 ( -0.770 -0.000 1.604) 1.779 6.069 ( 2.132 0.000 -3.826) 4.380 6.625 ( -6.385 -0.000 8.186) 10.382 6.834 ( 3.121 0.000 -2.733) 4.149 7.724 ( -8.557 -0.000 1.995) 8.787 7.800 ( 1.159 0.000 -1.545) 1.931 8.071 ( -2.277 -0.000 2.503) 3.384 8.204 ( 4.373 0.000 -4.473) 6.255 8.710 ( 4.746 0.000 5.035) 6.919 8.892 ( -9.258 -0.000 -4.067) 10.112 10.021 ( 0.335 0.000 0.839) 0.903 10.063 ( -0.711 -0.000 -1.260) 1.447 10.121 ( -1.903 -0.000 2.355) 3.028 10.185 ( 1.026 0.000 -0.791) 1.296 13.049 ( -1.462 -0.000 4.831) 5.047 13.270 ( 2.587 0.000 -5.962) 6.500 13.524 ( -5.827 -0.000 3.688) 6.896 13.567 ( 2.836 0.000 2.228) 3.607 13.968 ( -5.647 -0.000 1.131) 5.759 14.059 ( 2.750 0.000 -4.657) 5.408 14.620 ( 11.617 0.000 2.467) 11.876 14.765 ( -15.670 -0.000 -3.910) 16.150 16.239 ( 0.640 0.000 1.588) 1.712 16.304 ( 0.149 0.000 -1.492) 1.499 16.395 ( -4.306 -0.000 0.347) 4.320 16.402 ( 7.433 0.000 0.047) 7.434 ======================= Grid point 101 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -3.500 0.112 11.627) 12.143 0.503 ( -3.964 -5.115 7.600) 9.982 0.676 ( -6.268 -2.088 5.157) 8.381 0.816 ( 11.113 -0.119 -12.106) 16.433 0.888 ( 10.087 1.747 -12.453) 16.121 0.926 ( 4.310 -2.589 -3.319) 6.025 1.088 ( -9.662 -1.141 16.020) 18.743 1.448 ( -1.780 4.269 1.723) 4.936 1.481 ( -1.201 2.426 0.452) 2.745 1.618 ( 6.748 -0.482 -8.401) 10.786 1.689 ( -1.414 -0.379 2.975) 3.316 1.709 ( -2.035 -0.935 1.501) 2.696 1.904 ( 3.080 0.818 -2.641) 4.139 1.919 ( 3.390 0.170 -3.867) 5.145 2.132 ( -3.595 0.175 5.419) 6.505 2.259 ( -3.472 2.090 2.050) 4.541 2.290 ( 1.740 0.813 -3.244) 3.770 2.404 ( 0.595 0.617 -3.534) 3.637 2.528 ( -4.796 2.039 7.652) 9.258 2.723 ( -0.216 -0.297 -1.049) 1.111 2.917 ( 0.762 0.736 0.220) 1.082 2.985 ( -4.847 -0.409 5.775) 7.551 3.030 ( 1.629 -0.281 -3.558) 3.923 3.188 ( 4.305 -0.663 -4.289) 6.113 3.324 ( -0.632 -0.230 -0.322) 0.745 3.399 ( 2.882 0.247 -2.752) 3.992 3.544 ( -4.997 -0.295 5.786) 7.650 3.738 ( 3.631 -0.038 -3.415) 4.985 3.909 ( -2.000 -1.170 3.503) 4.200 4.065 ( 2.303 -1.197 -3.463) 4.328 4.316 ( -4.975 -0.095 3.888) 6.315 4.513 ( 3.910 0.927 -4.687) 6.174 4.566 ( -5.151 1.142 3.892) 6.557 4.784 ( 6.627 0.106 -4.835) 8.204 4.810 ( -1.498 -0.612 2.466) 2.950 4.856 ( -0.861 -0.598 0.559) 1.187 5.075 ( -0.302 -0.429 -0.246) 0.579 5.137 ( 2.943 0.527 -2.293) 3.768 5.228 ( -4.034 0.256 5.032) 6.455 5.466 ( 5.263 1.296 -7.008) 8.860 5.941 ( -0.859 0.460 1.447) 1.745 6.054 ( 2.171 0.227 -3.945) 4.508 6.622 ( -6.781 0.251 7.821) 10.354 6.839 ( 2.875 0.097 -2.855) 4.053 7.662 ( -6.748 1.783 4.609) 8.364 7.792 ( 1.633 1.149 -1.032) 2.248 8.081 ( -2.240 -1.270 2.724) 3.749 8.238 ( 4.550 -2.739 -4.813) 7.168 8.730 ( -1.886 4.672 2.915) 5.820 8.782 ( -1.730 1.920 -0.376) 2.612 10.029 ( 0.176 0.118 0.625) 0.660 10.047 ( 0.132 0.397 -0.763) 0.870 10.127 ( -1.931 -0.521 1.735) 2.648 10.186 ( 0.841 0.055 -0.810) 1.169 13.064 ( -1.832 0.827 5.084) 5.467 13.258 ( 3.008 -0.963 -6.998) 7.678 13.494 ( -5.431 0.554 3.214) 6.335 13.605 ( 2.635 0.358 2.135) 3.410 13.938 ( -5.379 -0.733 2.492) 5.973 14.069 ( 1.623 -1.881 -3.822) 4.558 14.524 ( -11.045 8.965 0.973) 14.259 14.687 ( 10.408 5.571 2.138) 11.997 16.248 ( -0.534 0.868 0.491) 1.132 16.293 ( 2.563 -0.421 -0.931) 2.759 16.411 ( -5.262 -5.162 0.826) 7.418 16.550 ( 4.993 -8.600 -3.551) 10.560 ======================= Grid point 102 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -2.378 -1.790 7.391) 7.968 0.598 ( -1.959 -4.160 2.853) 5.411 0.725 ( -3.023 -3.224 5.992) 7.446 0.832 ( 9.093 -0.022 -11.828) 14.919 0.864 ( 9.477 0.869 -8.684) 12.884 0.975 ( 4.674 -1.861 -5.159) 7.206 1.133 ( -9.805 -0.776 15.189) 18.096 1.355 ( -2.312 5.249 1.772) 6.003 1.421 ( 0.606 3.778 -0.336) 3.841 1.628 ( 6.437 -0.669 -7.759) 10.104 1.704 ( -2.972 -0.246 3.360) 4.492 1.727 ( -0.167 -1.392 1.503) 2.055 1.899 ( 4.159 0.429 -3.920) 5.731 1.917 ( 3.007 0.532 -2.882) 4.198 2.132 ( -3.325 0.335 4.427) 5.547 2.202 ( -4.612 2.132 3.610) 6.233 2.264 ( 1.578 1.059 -3.095) 3.632 2.382 ( 1.082 0.164 -3.007) 3.200 2.496 ( -5.794 2.599 8.208) 10.378 2.725 ( 1.893 -0.605 -2.795) 3.429 2.915 ( 0.366 0.492 1.027) 1.196 2.985 ( -4.235 0.182 4.822) 6.421 3.034 ( 1.041 -1.060 -2.177) 2.635 3.204 ( 3.973 -0.353 -3.941) 5.607 3.321 ( -0.348 -0.225 -0.378) 0.561 3.400 ( 2.819 0.217 -2.630) 3.862 3.552 ( -4.273 -0.730 5.179) 6.754 3.742 ( 3.747 0.177 -3.819) 5.353 3.947 ( -3.048 -2.060 4.856) 6.092 4.076 ( 0.794 -0.716 -2.029) 2.293 4.306 ( -4.268 -0.521 3.298) 5.419 4.494 ( 3.784 1.231 -4.618) 6.096 4.537 ( -3.634 0.988 3.793) 5.345 4.803 ( 6.007 0.245 -4.838) 7.717 4.826 ( -1.074 -1.066 1.856) 2.395 4.869 ( 1.017 -0.618 -0.549) 1.311 5.084 ( -0.111 -0.645 0.614) 0.897 5.135 ( 1.700 0.428 -1.313) 2.190 5.231 ( -3.869 -0.632 4.230) 5.767 5.440 ( 4.587 0.987 -6.118) 7.710 5.934 ( -0.474 0.374 0.494) 0.780 6.049 ( 3.184 -0.373 -4.505) 5.529 6.612 ( -7.023 0.349 7.745) 10.461 6.839 ( 2.655 0.235 -3.121) 4.104 7.619 ( -5.257 1.289 5.345) 7.607 7.777 ( 1.755 1.496 -0.663) 2.400 8.109 ( -2.563 -1.524 3.373) 4.502 8.295 ( 5.491 -2.776 -4.935) 7.888 8.633 ( -3.760 3.327 0.084) 5.021 8.735 ( 1.118 4.666 0.567) 4.831 10.022 ( -0.301 0.698 0.208) 0.788 10.048 ( 0.996 -0.178 -0.630) 1.192 10.128 ( -1.752 -0.266 1.291) 2.192 10.186 ( 0.626 0.104 -0.720) 0.960 13.059 ( -3.141 1.155 4.657) 5.735 13.257 ( 4.554 -0.940 -7.172) 8.548 13.462 ( -5.046 0.362 2.690) 5.729 13.627 ( 2.134 0.864 1.910) 2.991 13.947 ( -4.918 -2.425 5.032) 7.442 14.080 ( -1.612 -1.174 -1.815) 2.696 14.343 ( -4.068 5.061 0.686) 6.529 14.630 ( 8.289 9.702 -1.744) 12.879 16.221 ( -1.844 0.526 -0.427) 1.964 16.334 ( 3.310 -1.312 -1.173) 3.749 16.470 ( -5.550 -5.186 2.077) 7.874 16.698 ( 4.215 -6.349 -2.113) 7.909 ======================= Grid point 103 (48/88) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -3.958 -0.842 3.999) 5.689 0.652 ( 0.438 -0.943 0.242) 1.067 0.790 ( -1.401 -1.432 5.192) 5.565 0.811 ( 5.902 0.770 -7.659) 9.699 0.877 ( 7.821 0.367 -8.748) 11.740 0.994 ( 3.581 -0.462 -4.628) 5.869 1.145 ( -10.260 1.449 13.628) 17.120 1.280 ( -1.560 2.296 1.574) 3.192 1.375 ( 0.974 1.525 -0.572) 1.898 1.640 ( 5.900 -0.430 -6.907) 9.094 1.701 ( -3.021 -0.297 2.650) 4.030 1.758 ( 0.081 -0.755 1.312) 1.515 1.905 ( 2.511 0.174 -2.176) 3.327 1.912 ( 4.256 0.033 -4.862) 6.462 2.131 ( -3.055 -0.106 3.819) 4.892 2.173 ( -4.328 0.222 4.992) 6.611 2.246 ( 1.891 0.202 -2.655) 3.266 2.373 ( 1.683 -0.237 -3.049) 3.490 2.465 ( -6.589 1.442 8.380) 10.757 2.734 ( 3.048 -0.545 -3.699) 4.824 2.920 ( 0.267 0.028 0.775) 0.820 2.978 ( -4.336 0.299 4.954) 6.590 3.047 ( 0.798 -0.866 -1.364) 1.802 3.210 ( 3.368 0.264 -3.590) 4.930 3.321 ( -0.246 -0.304 -0.156) 0.421 3.402 ( 2.717 0.009 -3.031) 4.071 3.565 ( -3.962 -0.490 5.027) 6.419 3.742 ( 3.447 0.289 -3.797) 5.137 3.982 ( -3.873 -0.893 5.147) 6.503 4.078 ( -0.025 -0.378 -0.407) 0.556 4.310 ( -3.259 -0.886 3.198) 4.651 4.473 ( 4.163 1.028 -5.101) 6.664 4.524 ( -3.265 0.186 3.703) 4.940 4.806 ( 4.318 0.450 -4.725) 6.417 4.850 ( -0.114 -0.895 0.629) 1.100 4.883 ( 2.235 -0.381 -1.988) 3.016 5.102 ( -0.202 -0.648 1.386) 1.543 5.135 ( 0.757 -0.030 -0.681) 1.019 5.237 ( -3.681 -0.351 3.892) 5.368 5.427 ( 3.998 0.185 -5.282) 6.627 5.930 ( -0.041 -0.050 -0.049) 0.081 6.054 ( 3.998 -0.354 -5.096) 6.487 6.603 ( -6.912 0.245 7.999) 10.574 6.833 ( 2.594 0.379 -3.336) 4.243 7.607 ( -4.518 -0.424 5.442) 7.086 7.765 ( 1.181 0.679 -0.624) 1.498 8.129 ( -2.950 -0.495 3.717) 4.771 8.351 ( 6.415 -1.579 -5.137) 8.369 8.554 ( -3.156 3.335 1.379) 4.794 8.672 ( 1.232 2.004 -2.046) 3.118 10.010 ( -0.184 0.486 0.207) 0.559 10.054 ( 0.873 -0.194 -0.831) 1.220 10.129 ( -1.089 -0.339 1.047) 1.548 10.183 ( 0.433 0.179 -0.674) 0.821 13.041 ( -3.729 0.842 3.929) 5.482 13.268 ( 5.749 -0.740 -6.580) 8.768 13.439 ( -4.357 -0.392 2.419) 4.999 13.639 ( 1.353 0.724 1.203) 1.950 14.010 ( -4.797 -4.359 8.114) 10.385 14.053 ( -5.262 0.575 2.039) 5.673 14.282 ( 1.022 0.839 -2.340) 2.688 14.496 ( 6.819 9.080 -6.005) 12.845 16.200 ( -1.121 -0.005 -0.427) 1.199 16.358 ( 0.617 -0.595 -1.886) 2.071 16.515 ( -2.729 -2.034 2.657) 4.318 16.808 ( 3.802 -3.412 -0.610) 5.145 ======================= Grid point 104 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -6.321 2.501 3.170) 7.500 0.622 ( -0.547 4.882 2.988) 5.749 0.809 ( -1.881 2.085 4.364) 5.189 0.818 ( 4.899 -2.291 -6.755) 8.653 0.854 ( 6.907 1.633 -9.948) 12.220 1.003 ( 1.132 -0.496 -1.826) 2.205 1.108 ( -9.536 2.558 11.330) 15.028 1.274 ( -1.739 -1.367 2.808) 3.575 1.387 ( 0.548 -2.730 -1.065) 2.981 1.643 ( 4.583 0.132 -5.734) 7.342 1.704 ( -2.093 -0.421 2.119) 3.008 1.770 ( -0.391 0.018 0.824) 0.913 1.893 ( 0.574 0.657 -1.702) 1.913 1.923 ( 4.397 -0.729 -5.676) 7.217 2.130 ( -3.698 0.242 4.237) 5.629 2.194 ( -1.870 -2.140 3.273) 4.335 2.255 ( 2.121 -0.975 -2.131) 3.161 2.378 ( 2.862 -0.684 -3.397) 4.494 2.455 ( -7.257 -0.406 8.274) 11.013 2.741 ( 2.621 -0.182 -3.176) 4.122 2.926 ( 0.136 -0.348 -0.448) 0.583 2.974 ( -4.939 0.090 6.144) 7.884 3.055 ( 1.390 -0.195 -1.819) 2.297 3.205 ( 3.120 0.567 -3.474) 4.704 3.325 ( -0.265 -0.423 0.151) 0.522 3.402 ( 2.496 -0.065 -3.501) 4.301 3.567 ( -4.068 0.468 5.213) 6.629 3.738 ( 3.165 0.378 -3.792) 4.953 3.976 ( -3.833 1.252 3.921) 5.625 4.086 ( 0.023 -0.143 0.677) 0.692 4.322 ( -2.537 -0.488 3.524) 4.370 4.466 ( 4.762 -0.258 -5.499) 7.279 4.531 ( -4.167 -1.360 4.811) 6.508 4.797 ( 4.484 0.646 -5.832) 7.385 4.857 ( -0.669 0.125 0.509) 0.849 4.888 ( 1.757 -0.116 -2.701) 3.224 5.108 ( -1.070 0.247 0.452) 1.188 5.142 ( 0.433 -0.441 0.067) 0.622 5.233 ( -3.244 0.565 3.913) 5.114 5.427 ( 4.030 -0.480 -5.237) 6.625 5.933 ( 0.095 -0.223 -0.182) 0.303 6.055 ( 4.256 0.162 -5.176) 6.703 6.600 ( -6.566 0.021 8.388) 10.652 6.825 ( 2.777 0.398 -3.313) 4.341 7.635 ( -4.714 -2.897 5.215) 7.604 7.767 ( 0.284 -0.830 -0.981) 1.316 8.126 ( -3.136 0.784 3.806) 4.993 8.365 ( 4.850 1.270 -6.772) 8.426 8.506 ( -2.164 0.641 3.753) 4.380 8.676 ( 3.971 -1.450 -1.880) 4.626 10.006 ( 0.071 0.142 0.327) 0.364 10.056 ( 0.185 -0.205 -0.785) 0.832 10.138 ( -0.095 -0.527 0.760) 0.930 10.179 ( 0.410 0.167 -0.703) 0.831 13.027 ( -3.460 0.300 3.677) 5.058 13.286 ( 6.287 -0.582 -6.325) 8.937 13.439 ( -3.481 -1.445 2.468) 4.505 13.638 ( -0.125 0.575 -0.146) 0.606 14.021 ( -5.737 0.039 4.703) 7.418 14.132 ( -6.024 -7.456 10.910) 14.522 14.254 ( 2.185 3.262 -3.038) 4.964 14.392 ( 6.894 2.535 -7.776) 10.696 16.197 ( 0.538 -0.186 -0.288) 0.638 16.342 ( -1.679 0.367 -1.258) 2.130 16.526 ( -0.201 1.437 2.238) 2.667 16.860 ( 3.778 0.182 -2.569) 4.573 ======================= Grid point 105 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -8.152 2.892 5.870) 10.454 0.547 ( -3.342 5.737 7.239) 9.822 0.765 ( -4.358 2.787 4.440) 6.817 0.817 ( 6.836 0.703 -10.427) 12.488 0.859 ( 6.445 -2.641 -8.219) 10.773 0.975 ( -2.917 2.903 2.450) 4.790 1.067 ( -7.093 2.197 8.697) 11.436 1.340 ( -0.984 -4.934 2.902) 5.809 1.447 ( -0.117 -4.163 -0.782) 4.237 1.635 ( 4.381 0.387 -5.801) 7.280 1.703 ( -2.260 0.099 1.807) 2.895 1.761 ( -1.549 0.767 0.760) 1.888 1.879 ( 1.277 0.120 -1.977) 2.357 1.930 ( 3.053 -0.803 -5.295) 6.165 2.123 ( -3.460 0.408 4.198) 5.455 2.245 ( -0.509 -2.751 0.951) 2.955 2.277 ( 1.743 -1.144 -1.806) 2.758 2.397 ( 3.263 -1.246 -3.092) 4.665 2.472 ( -6.584 -1.855 7.689) 10.291 2.740 ( 1.091 0.230 -1.427) 1.811 2.926 ( -0.017 -0.519 -1.786) 1.860 2.977 ( -5.254 -0.054 7.091) 8.826 3.054 ( 2.103 0.042 -2.940) 3.615 3.196 ( 3.156 0.580 -3.746) 4.932 3.333 ( -0.362 -0.425 0.429) 0.704 3.399 ( 2.415 -0.085 -3.699) 4.418 3.555 ( -4.550 0.852 5.696) 7.340 3.732 ( 3.197 0.258 -3.942) 5.082 3.942 ( -3.332 1.732 2.942) 4.770 4.085 ( 1.023 0.926 -0.500) 1.468 4.330 ( -2.614 -0.047 3.887) 4.684 4.484 ( 4.740 -1.197 -5.124) 7.083 4.566 ( -5.448 -2.930 5.867) 8.526 4.780 ( 4.670 0.784 -6.663) 8.174 4.841 ( -1.357 1.132 0.535) 1.846 4.881 ( 0.391 0.194 -1.631) 1.688 5.091 ( -1.255 0.383 -0.217) 1.330 5.146 ( 0.214 0.229 -0.978) 1.027 5.222 ( -2.917 0.824 4.251) 5.221 5.441 ( 4.877 -1.241 -5.739) 7.633 5.935 ( -0.092 -0.104 -0.041) 0.144 6.052 ( 4.008 0.044 -4.466) 6.001 6.607 ( -6.267 -0.166 8.631) 10.668 6.822 ( 3.064 0.222 -3.080) 4.350 7.692 ( -5.751 -4.906 3.794) 8.458 7.783 ( -0.337 -1.855 -1.448) 2.377 8.105 ( -3.017 1.479 3.643) 4.956 8.310 ( 3.197 2.957 -6.617) 7.922 8.544 ( 0.508 -2.095 3.802) 4.370 8.760 ( 4.420 -4.773 0.543) 6.528 10.010 ( 0.378 -0.016 0.395) 0.547 10.057 ( -0.436 -0.554 -0.476) 0.851 10.150 ( -0.100 -0.188 0.427) 0.477 10.175 ( 0.758 0.066 -0.837) 1.131 13.024 ( -2.971 -0.058 3.817) 4.837 13.301 ( 6.083 -0.146 -6.608) 8.983 13.463 ( -2.575 -2.070 2.866) 4.374 13.613 ( -2.119 0.972 -0.356) 2.358 14.015 ( -5.595 -0.917 4.036) 6.960 14.170 ( 2.962 4.689 -4.728) 7.288 14.316 ( -3.567 -10.061 8.245) 13.488 14.436 ( 3.721 -5.570 1.194) 6.804 16.208 ( 1.690 0.052 0.019) 1.691 16.312 ( -2.034 0.359 -0.401) 2.104 16.494 ( 0.823 3.851 1.314) 4.152 16.807 ( 3.323 6.419 -7.305) 10.277 ======================= Grid point 106 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -9.513 -0.372 11.058) 14.592 0.470 ( -5.814 5.021 9.177) 11.967 0.715 ( -5.889 1.554 4.584) 7.623 0.810 ( 7.592 -1.066 -10.262) 12.810 0.896 ( 8.847 -1.750 -11.096) 14.299 0.912 ( -0.429 3.486 0.408) 3.536 1.037 ( -8.795 1.811 12.855) 15.680 1.438 ( -0.287 -4.283 2.006) 4.739 1.500 ( -1.318 -2.459 0.388) 2.817 1.624 ( 5.696 0.508 -7.474) 9.411 1.693 ( -2.582 -0.226 1.571) 3.030 1.731 ( -2.517 1.308 1.074) 3.033 1.886 ( 2.298 -0.570 -1.845) 3.002 1.930 ( 2.615 -0.402 -4.641) 5.342 2.119 ( -3.308 0.231 4.716) 5.765 2.282 ( -1.063 -1.651 0.440) 2.012 2.295 ( 1.881 -0.746 -2.105) 2.920 2.429 ( 2.581 -1.778 -3.457) 4.666 2.506 ( -4.996 -1.496 7.208) 8.897 2.736 ( -0.552 0.028 0.415) 0.691 2.921 ( 0.279 -0.438 -2.211) 2.271 2.981 ( -5.267 0.193 7.031) 8.787 3.049 ( 2.119 -0.086 -3.645) 4.217 3.186 ( 3.177 0.327 -4.524) 5.538 3.336 ( -0.731 -0.060 0.342) 0.809 3.397 ( 2.646 -0.125 -3.582) 4.455 3.547 ( -5.283 0.159 6.367) 8.275 3.729 ( 3.265 0.216 -3.689) 4.931 3.908 ( -2.807 1.151 2.365) 3.847 4.067 ( 2.471 1.354 -2.622) 3.849 4.334 ( -3.462 -0.068 4.057) 5.334 4.508 ( 4.434 -1.040 -4.822) 6.633 4.611 ( -6.654 -3.225 4.706) 8.765 4.763 ( 5.351 0.441 -6.746) 8.621 4.810 ( -2.147 1.327 1.851) 3.130 4.868 ( -0.873 0.321 -0.077) 0.933 5.082 ( -0.363 -0.183 -0.124) 0.425 5.131 ( 1.250 0.422 -2.209) 2.573 5.220 ( -3.308 -0.145 4.912) 5.924 5.467 ( 5.752 -1.233 -6.496) 8.764 5.936 ( -0.426 -0.114 0.704) 0.831 6.063 ( 3.304 -0.806 -3.743) 5.057 6.618 ( -6.181 -0.176 8.541) 10.545 6.826 ( 3.223 0.024 -2.829) 4.289 7.743 ( -7.355 -4.561 1.376) 8.763 7.797 ( -0.150 -1.225 -1.905) 2.270 8.082 ( -2.602 1.046 3.088) 4.171 8.238 ( 3.931 3.453 -5.725) 7.755 8.624 ( 3.056 -2.134 3.860) 5.366 8.894 ( -1.651 -7.384 -1.066) 7.641 10.015 ( 0.438 0.207 0.522) 0.712 10.064 ( -0.854 -1.210 -0.564) 1.585 10.139 ( -1.403 1.077 0.648) 1.884 10.180 ( 1.172 -0.116 -0.747) 1.394 13.031 ( -2.385 -0.174 4.297) 4.918 13.294 ( 4.302 0.733 -6.515) 7.842 13.505 ( -1.631 -2.079 3.566) 4.438 13.572 ( -2.648 1.485 1.371) 3.331 14.002 ( -5.521 -0.577 1.753) 5.821 14.095 ( 2.884 2.790 -5.145) 6.525 14.484 ( 9.543 -3.993 -0.149) 10.346 14.681 ( -9.676 -18.348 6.818) 21.835 16.221 ( 1.283 0.154 0.876) 1.561 16.299 ( -0.956 -0.720 -0.551) 1.318 16.433 ( 1.592 4.734 0.313) 5.004 16.578 ( 0.744 14.644 -6.996) 16.246 ======================= Grid point 108 (52/88) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -8.119 -0.000 10.739) 13.463 0.488 ( 3.083 0.000 7.962) 8.538 0.634 ( -6.518 -0.000 5.088) 8.269 0.824 ( 11.865 0.000 -12.950) 17.563 0.904 ( 11.084 0.000 -13.199) 17.236 0.922 ( 4.562 0.000 -2.739) 5.321 1.105 ( -9.343 -0.000 14.934) 17.616 1.487 ( -2.005 -0.000 0.759) 2.144 1.488 ( -1.702 -0.000 1.806) 2.481 1.614 ( 6.799 0.000 -8.163) 10.623 1.697 ( 0.102 0.000 2.182) 2.185 1.702 ( -1.643 -0.000 2.789) 3.237 1.916 ( 4.708 0.000 -5.479) 7.224 1.926 ( 2.311 0.000 -1.324) 2.663 2.143 ( -3.999 -0.000 6.070) 7.269 2.267 ( -3.790 -0.000 2.893) 4.768 2.284 ( 1.072 0.000 -3.849) 3.995 2.384 ( -0.199 -0.000 -3.167) 3.173 2.561 ( -4.791 -0.000 7.542) 8.935 2.709 ( -0.393 -0.000 -0.958) 1.036 2.937 ( 1.465 0.000 0.038) 1.466 2.977 ( -5.088 -0.000 5.954) 7.831 3.016 ( 1.388 0.000 -3.398) 3.671 3.190 ( 4.809 0.000 -4.299) 6.450 3.314 ( -0.644 -0.000 -0.205) 0.676 3.410 ( 3.042 0.000 -2.258) 3.788 3.539 ( -5.053 -0.000 5.787) 7.682 3.746 ( 3.539 0.000 -2.941) 4.601 3.910 ( -0.903 -0.000 2.628) 2.779 4.047 ( 2.929 0.000 -4.493) 5.364 4.299 ( -5.856 -0.000 4.806) 7.575 4.520 ( 3.597 0.000 -4.781) 5.982 4.560 ( -3.900 -0.000 3.118) 4.993 4.811 ( -2.563 -0.000 4.292) 4.999 4.816 ( 6.481 0.000 -3.763) 7.494 4.848 ( 0.065 0.000 0.535) 0.539 5.064 ( -0.252 -0.000 -0.397) 0.471 5.151 ( 3.330 0.000 -3.091) 4.543 5.233 ( -4.313 -0.000 4.901) 6.529 5.472 ( 5.100 0.000 -7.523) 9.088 5.950 ( -1.213 -0.000 2.000) 2.340 6.042 ( 1.115 0.000 -3.673) 3.839 6.619 ( -7.084 -0.000 7.407) 10.249 6.843 ( 2.717 0.000 -3.094) 4.118 7.659 ( -5.939 -0.000 5.490) 8.087 7.814 ( 1.717 0.000 0.029) 1.717 8.068 ( -1.808 -0.000 1.992) 2.691 8.217 ( 4.289 0.000 -4.245) 6.035 8.696 ( -7.883 -0.000 -2.266) 8.202 8.865 ( 3.616 0.000 5.822) 6.853 10.038 ( 0.172 0.000 0.941) 0.957 10.046 ( 0.309 0.000 -1.027) 1.073 10.120 ( -1.988 -0.000 2.166) 2.940 10.186 ( 0.647 0.000 -0.997) 1.189 13.096 ( -1.308 -0.000 4.728) 4.906 13.221 ( 1.986 0.000 -6.131) 6.445 13.473 ( -5.274 -0.000 2.648) 5.901 13.649 ( 2.437 0.000 2.819) 3.726 13.901 ( -5.401 -0.000 2.695) 6.036 14.046 ( 1.777 0.000 -2.748) 3.273 14.492 ( -11.022 -0.000 -2.652) 11.336 14.854 ( 9.041 0.000 4.467) 10.085 16.286 ( 0.689 0.000 -2.153) 2.260 16.287 ( 2.188 0.000 1.261) 2.526 16.320 ( -3.847 -0.000 -0.265) 3.856 16.490 ( 4.351 0.000 -1.250) 4.527 ======================= Grid point 109 (53/88) ======================= q-point: ( 0.29 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -4.787 -0.925 6.472) 8.103 0.557 ( -0.647 -0.837 5.359) 5.462 0.674 ( -2.415 -4.326 5.547) 7.437 0.836 ( 10.887 0.207 -11.875) 16.112 0.898 ( 9.638 0.964 -9.993) 13.917 0.951 ( 4.520 -1.502 -4.400) 6.484 1.137 ( -8.874 -1.111 13.341) 16.061 1.435 ( -1.840 4.166 1.425) 4.772 1.474 ( -1.049 1.963 0.925) 2.410 1.619 ( 6.705 -0.427 -7.758) 10.263 1.707 ( -1.703 0.315 2.993) 3.458 1.725 ( 0.520 -0.827 2.547) 2.728 1.915 ( 5.344 0.518 -5.453) 7.653 1.931 ( 1.936 0.405 -1.613) 2.552 2.145 ( -4.008 0.532 5.592) 6.900 2.228 ( -3.832 2.267 2.525) 5.118 2.266 ( 0.356 0.292 -2.493) 2.535 2.367 ( 0.394 -0.249 -2.751) 2.791 2.548 ( -5.589 2.290 7.712) 9.796 2.709 ( 0.869 -0.758 -1.615) 1.985 2.941 ( 1.183 0.860 0.525) 1.554 2.980 ( -5.061 -0.339 5.703) 7.633 3.011 ( 1.486 -0.627 -2.837) 3.264 3.205 ( 4.492 -0.403 -4.228) 6.182 3.311 ( -0.431 -0.279 -0.154) 0.536 3.416 ( 3.071 0.525 -2.098) 3.756 3.541 ( -4.540 -0.467 5.404) 7.073 3.752 ( 3.686 0.267 -3.513) 5.099 3.927 ( -1.693 -1.013 3.319) 3.861 4.052 ( 2.222 -1.110 -3.767) 4.512 4.286 ( -5.426 -0.204 4.765) 7.224 4.510 ( 3.468 0.723 -4.705) 5.889 4.548 ( -3.100 0.572 3.266) 4.539 4.820 ( -1.684 -0.144 2.759) 3.236 4.827 ( 1.672 0.148 -0.809) 1.863 4.873 ( 4.569 -0.241 -1.515) 4.820 5.070 ( 0.012 -0.887 0.171) 0.903 5.152 ( 2.732 0.450 -2.746) 3.900 5.224 ( -4.540 0.330 4.827) 6.634 5.451 ( 4.798 0.951 -7.188) 8.695 5.944 ( -0.929 0.768 1.132) 1.653 6.033 ( 1.726 -0.636 -3.635) 4.074 6.608 ( -7.227 0.089 7.320) 10.287 6.842 ( 2.594 0.140 -3.398) 4.277 7.642 ( -4.794 1.364 6.240) 7.986 7.818 ( 1.586 1.478 0.584) 2.245 8.082 ( -1.862 -1.578 2.408) 3.429 8.252 ( 4.822 -3.016 -4.597) 7.313 8.615 ( -5.424 0.915 -1.808) 5.790 8.865 ( 0.972 5.929 3.011) 6.720 10.033 ( 0.055 0.721 -0.166) 0.742 10.049 ( 0.462 -0.175 -0.033) 0.495 10.120 ( -1.842 -0.175 1.735) 2.537 10.185 ( 0.475 -0.072 -0.952) 1.066 13.092 ( -2.431 1.914 3.801) 4.901 13.220 ( 3.149 -1.863 -5.553) 6.650 13.446 ( -4.495 0.366 2.609) 5.210 13.678 ( 1.881 1.067 2.914) 3.629 13.898 ( -4.777 -2.021 4.292) 6.732 14.049 ( 0.230 -0.570 -1.287) 1.426 14.366 ( -6.172 2.894 -2.301) 7.195 14.859 ( 5.950 8.781 0.770) 10.635 16.227 ( -0.654 2.160 -1.254) 2.582 16.305 ( -2.003 -0.998 -0.192) 2.247 16.379 ( 1.923 -4.829 1.000) 5.293 16.591 ( 2.975 -7.466 -1.108) 8.113 ======================= Grid point 110 (54/88) ======================= q-point: ( 0.43 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -0.744 -1.233 2.789) 3.139 0.603 ( -2.615 -2.549 2.877) 4.649 0.758 ( -0.898 -3.210 1.570) 3.684 0.826 ( 7.943 0.953 -9.809) 12.658 0.904 ( 6.315 0.592 -4.521) 7.789 0.980 ( 5.032 -1.233 -6.024) 7.946 1.167 ( -8.982 -0.307 12.269) 15.208 1.348 ( -1.225 5.098 1.704) 5.513 1.423 ( -0.341 3.294 -0.021) 3.311 1.632 ( 6.499 -0.641 -7.435) 9.896 1.702 ( -2.090 0.662 3.157) 3.843 1.760 ( 0.283 -0.697 2.104) 2.234 1.916 ( 4.155 0.301 -3.964) 5.750 1.923 ( 2.671 0.767 -3.122) 4.180 2.138 ( -3.276 0.566 4.515) 5.606 2.184 ( -4.131 1.385 4.416) 6.204 2.248 ( 1.056 0.439 -2.351) 2.614 2.360 ( 1.378 -0.385 -2.918) 3.249 2.507 ( -6.394 2.782 8.192) 10.758 2.722 ( 2.266 -0.824 -2.736) 3.647 2.936 ( 0.809 0.937 0.169) 1.249 2.979 ( -4.951 0.052 5.690) 7.543 3.024 ( 1.138 -1.301 -1.735) 2.449 3.215 ( 3.677 -0.057 -3.971) 5.412 3.313 ( -0.152 -0.336 -0.062) 0.374 3.414 ( 3.034 0.772 -2.539) 4.031 3.553 ( -4.182 -0.857 5.074) 6.631 3.751 ( 3.660 0.382 -4.084) 5.497 3.962 ( -3.126 -1.808 4.616) 5.860 4.063 ( 0.913 -0.894 -1.880) 2.273 4.285 ( -4.129 -0.929 4.026) 5.841 4.491 ( 3.750 1.053 -4.981) 6.323 4.533 ( -2.855 0.884 3.512) 4.612 4.818 ( 1.596 0.327 -1.896) 2.500 4.842 ( -0.550 -0.595 1.702) 1.885 4.895 ( 4.436 0.524 -2.690) 5.214 5.094 ( 0.064 -1.183 1.015) 1.560 5.144 ( 1.317 0.734 -1.287) 1.982 5.222 ( -4.099 -0.667 4.260) 5.950 5.430 ( 4.434 0.588 -6.171) 7.622 5.933 ( -0.207 0.406 0.280) 0.535 6.040 ( 2.967 -0.900 -4.202) 5.222 6.599 ( -7.104 -0.074 7.615) 10.415 6.836 ( 2.540 0.215 -3.561) 4.380 7.622 ( -4.031 1.478 6.359) 7.672 7.799 ( 1.145 2.152 0.165) 2.443 8.114 ( -2.312 -1.510 3.298) 4.301 8.325 ( 6.220 -3.498 -5.282) 8.878 8.555 ( -3.782 0.536 -0.877) 3.919 8.748 ( -0.789 7.053 -0.845) 7.147 10.020 ( -0.069 0.664 0.013) 0.667 10.053 ( 0.409 -0.061 -0.565) 0.701 10.121 ( -1.220 -0.352 1.399) 1.890 10.183 ( 0.305 0.014 -0.801) 0.858 13.059 ( -3.192 1.706 3.398) 4.964 13.247 ( 4.482 -1.739 -5.620) 7.396 13.425 ( -3.462 0.335 3.045) 4.622 13.682 ( 0.924 1.819 2.003) 2.859 13.949 ( -4.028 -3.733 6.368) 8.409 14.040 ( -2.806 0.403 1.489) 3.202 14.283 ( -0.964 1.031 -2.764) 3.104 14.696 ( 4.663 11.988 -5.380) 13.943 16.194 ( -0.338 0.455 -0.467) 0.734 16.309 ( -3.050 -1.814 -0.282) 3.560 16.485 ( 2.560 -3.693 1.690) 4.801 16.735 ( 1.311 -6.867 -0.498) 7.009 ======================= Grid point 111 (55/88) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -2.079 2.626 5.015) 6.030 0.636 ( -1.223 -2.733 -1.410) 3.309 0.783 ( 3.252 -0.844 -5.524) 6.465 0.816 ( 1.394 -0.193 -3.727) 3.984 0.909 ( 4.298 1.831 -1.920) 5.051 0.990 ( 3.901 -0.300 -4.822) 6.210 1.154 ( -9.563 2.202 11.573) 15.173 1.286 ( -0.746 2.109 1.912) 2.942 1.369 ( -0.339 1.669 -0.850) 1.903 1.642 ( 5.384 -0.160 -6.441) 8.397 1.701 ( -1.417 -0.006 2.654) 3.009 1.777 ( -0.242 0.107 1.218) 1.246 1.900 ( 0.728 0.988 -1.790) 2.170 1.921 ( 4.955 0.303 -5.592) 7.478 2.135 ( -3.210 0.325 4.279) 5.359 2.176 ( -3.670 -0.458 4.853) 6.101 2.242 ( 1.812 -0.399 -2.406) 3.038 2.365 ( 2.632 -0.730 -3.191) 4.201 2.466 ( -7.048 1.867 8.460) 11.168 2.734 ( 2.940 -0.524 -3.531) 4.625 2.925 ( -0.503 0.569 0.055) 0.761 2.978 ( -4.328 0.123 5.592) 7.072 3.044 ( 1.200 -0.975 -1.456) 2.124 3.214 ( 3.027 0.327 -3.656) 4.758 3.318 ( 0.000 -0.332 0.125) 0.355 3.407 ( 2.791 0.659 -3.034) 4.175 3.566 ( -4.088 -0.586 4.877) 6.390 3.745 ( 3.267 0.396 -4.014) 5.190 3.985 ( -3.982 -0.176 4.845) 6.274 4.077 ( 0.097 -1.061 -0.007) 1.066 4.304 ( -2.891 -1.495 3.521) 4.795 4.472 ( 4.383 0.737 -5.517) 7.084 4.522 ( -3.184 0.303 4.052) 5.162 4.810 ( 3.577 0.714 -4.280) 5.623 4.855 ( -0.555 -0.251 0.920) 1.103 4.893 ( 2.960 0.816 -3.000) 4.292 5.111 ( -0.886 0.262 0.913) 1.299 5.138 ( 0.405 -0.223 -0.241) 0.521 5.232 ( -3.379 -0.625 4.089) 5.342 5.420 ( 4.064 0.061 -5.262) 6.649 5.931 ( 0.158 0.000 0.001) 0.158 6.051 ( 4.027 -0.536 -4.945) 6.400 6.598 ( -6.826 -0.329 8.063) 10.569 6.830 ( 2.659 0.158 -3.455) 4.362 7.615 ( -4.014 0.305 5.958) 7.191 7.771 ( 0.611 1.514 -0.661) 1.762 8.133 ( -2.768 -0.264 3.785) 4.696 8.374 ( 5.715 -0.213 -6.952) 9.003 8.517 ( -3.194 0.597 1.803) 3.716 8.665 ( 1.209 0.236 -2.241) 2.557 10.012 ( -0.158 0.279 0.335) 0.463 10.050 ( 0.318 0.002 -1.020) 1.068 10.132 ( -0.464 -0.612 1.127) 1.363 10.179 ( 0.320 0.093 -0.727) 0.799 13.034 ( -3.237 0.857 3.782) 5.051 13.273 ( 5.416 -1.329 -6.556) 8.607 13.423 ( -2.385 -0.246 3.850) 4.536 13.659 ( -0.328 2.010 0.253) 2.053 14.007 ( -5.508 -0.076 5.313) 7.653 14.049 ( -3.920 -4.348 7.349) 9.396 14.269 ( 1.801 -0.652 -2.740) 3.343 14.497 ( 5.249 9.154 -8.590) 13.606 16.199 ( 1.392 -0.536 0.113) 1.496 16.306 ( -3.466 -1.065 0.046) 3.626 16.558 ( 2.199 -0.758 1.972) 3.050 16.825 ( 0.279 -3.792 -2.380) 4.486 ======================= Grid point 112 (56/88) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -5.133 5.205 6.970) 10.101 0.644 ( -0.485 1.791 1.749) 2.549 0.780 ( 0.266 1.023 -3.795) 3.940 0.803 ( 2.724 -1.791 -4.195) 5.313 0.873 ( 5.866 3.733 -5.512) 8.873 0.999 ( 1.787 0.072 -2.291) 2.906 1.111 ( -9.311 2.461 11.924) 15.328 1.289 ( -1.101 -1.689 2.567) 3.264 1.370 ( -0.228 -2.911 -1.403) 3.239 1.639 ( 4.499 0.361 -5.673) 7.249 1.707 ( -1.266 0.301 2.086) 2.459 1.769 ( -1.201 0.822 0.693) 1.612 1.882 ( 1.476 0.486 -2.063) 2.583 1.914 ( 3.860 0.167 -5.450) 6.680 2.130 ( -3.240 0.388 4.041) 5.194 2.199 ( -3.377 -2.029 3.611) 5.344 2.256 ( 2.173 -1.210 -2.836) 3.772 2.384 ( 3.340 -0.945 -3.459) 4.901 2.450 ( -7.188 -0.300 8.735) 11.317 2.739 ( 2.535 -0.091 -3.359) 4.209 2.913 ( -0.981 0.111 0.071) 0.990 2.979 ( -4.215 -0.052 5.541) 6.962 3.053 ( 1.545 -0.069 -1.959) 2.496 3.207 ( 2.965 0.488 -3.681) 4.752 3.326 ( -0.067 -0.361 0.247) 0.443 3.398 ( 2.586 0.393 -3.251) 4.173 3.567 ( -4.213 0.371 4.870) 6.450 3.737 ( 3.128 0.372 -3.878) 4.996 3.969 ( -3.794 1.645 4.501) 6.112 4.092 ( -0.094 -0.373 0.200) 0.434 4.326 ( -2.630 -0.756 3.264) 4.259 4.470 ( 4.724 -0.622 -5.439) 7.231 4.529 ( -4.110 -0.993 4.868) 6.448 4.794 ( 5.381 1.169 -6.605) 8.600 4.850 ( -0.997 0.692 0.646) 1.375 4.881 ( 1.128 0.542 -1.858) 2.240 5.091 ( -1.311 0.912 0.479) 1.667 5.144 ( 0.141 -0.048 -0.645) 0.662 5.238 ( -2.984 0.287 4.196) 5.157 5.424 ( 4.246 -0.633 -5.010) 6.597 5.933 ( 0.058 -0.067 -0.050) 0.102 6.055 ( 4.330 0.046 -5.154) 6.732 6.606 ( -6.606 -0.479 8.345) 10.654 6.828 ( 2.872 0.045 -3.132) 4.250 7.627 ( -4.890 -1.377 5.268) 7.318 7.756 ( 0.549 -0.135 -1.405) 1.515 8.129 ( -3.096 0.988 3.955) 5.119 8.337 ( 3.522 2.275 -6.510) 7.743 8.531 ( -0.883 -2.097 3.449) 4.132 8.705 ( 2.558 -3.637 -2.586) 5.143 10.013 ( -0.150 -0.167 0.531) 0.577 10.046 ( 0.412 -0.041 -1.061) 1.139 10.144 ( -0.668 -0.433 0.795) 1.125 10.177 ( 0.696 0.000 -0.702) 0.989 13.028 ( -2.984 0.139 4.351) 5.278 13.291 ( 5.657 -0.886 -7.633) 9.542 13.447 ( -1.626 -1.045 4.655) 5.041 13.616 ( -1.499 1.615 -0.590) 2.281 13.993 ( -5.439 0.331 5.235) 7.556 14.161 ( -6.036 -6.000 6.924) 10.971 14.260 ( 2.467 2.250 -1.336) 3.597 14.411 ( 6.898 -0.948 -6.315) 9.400 16.229 ( 3.028 -0.274 0.380) 3.064 16.290 ( -3.069 -0.293 0.257) 3.093 16.571 ( 0.851 2.450 2.487) 3.593 16.828 ( 0.067 0.598 -6.216) 6.245 ======================= Grid point 113 (57/88) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -5.680 2.958 11.375) 13.054 0.586 ( -1.845 5.674 4.171) 7.280 0.730 ( -5.255 2.002 3.755) 6.762 0.819 ( 9.309 1.631 -9.331) 13.282 0.853 ( 7.647 -2.222 -10.080) 12.846 0.971 ( 2.043 2.755 -2.359) 4.162 1.087 ( -9.215 1.707 14.052) 16.890 1.360 ( -1.365 -5.107 2.420) 5.814 1.427 ( -0.398 -4.363 -0.969) 4.487 1.630 ( 5.503 0.532 -6.940) 8.873 1.696 ( -1.997 0.930 2.652) 3.447 1.740 ( -2.113 1.296 0.717) 2.581 1.884 ( 2.439 -0.406 -1.958) 3.154 1.913 ( 3.490 -0.548 -4.780) 5.943 2.126 ( -3.245 0.139 4.356) 5.434 2.232 ( -3.350 -2.613 2.139) 4.757 2.276 ( 2.089 -1.282 -2.995) 3.870 2.400 ( 2.037 -0.993 -3.138) 3.871 2.478 ( -5.688 -2.237 7.996) 10.064 2.734 ( 1.208 0.225 -2.132) 2.461 2.907 ( -0.395 -0.195 -0.046) 0.443 2.985 ( -4.471 -0.187 5.787) 7.315 3.046 ( 1.784 0.487 -2.932) 3.466 3.197 ( 3.455 0.708 -4.011) 5.341 3.330 ( -0.299 -0.171 -0.055) 0.349 3.394 ( 2.652 0.008 -3.139) 4.109 3.554 ( -4.573 0.716 5.307) 7.042 3.734 ( 3.484 0.123 -3.829) 5.178 3.935 ( -3.246 2.144 4.255) 5.765 4.087 ( 0.854 0.785 -1.435) 1.845 4.329 ( -3.444 0.012 3.157) 4.672 4.491 ( 4.291 -1.262 -4.786) 6.550 4.550 ( -5.142 -1.863 5.007) 7.415 4.776 ( 6.213 0.883 -6.663) 9.153 4.827 ( -1.485 1.251 1.168) 2.266 4.869 ( -0.049 0.447 -0.476) 0.655 5.078 ( -0.312 0.070 0.471) 0.570 5.134 ( 0.651 0.415 -1.441) 1.634 5.231 ( -3.228 0.695 4.368) 5.475 5.443 ( 4.867 -1.358 -5.856) 7.735 5.934 ( -0.343 -0.174 0.431) 0.578 6.055 ( 3.690 -0.071 -4.591) 5.890 6.617 ( -6.582 -0.446 8.239) 10.555 6.832 ( 2.971 -0.066 -2.863) 4.126 7.648 ( -6.239 -2.351 4.665) 8.137 7.766 ( 1.180 -1.360 -1.639) 2.435 8.106 ( -2.864 1.562 3.595) 4.854 8.286 ( 4.120 2.654 -5.522) 7.383 8.613 ( 0.743 -4.205 4.373) 6.112 8.766 ( -0.888 -4.120 -2.872) 5.100 10.021 ( -0.025 -0.343 0.519) 0.622 10.045 ( 0.344 -0.201 -0.824) 0.915 10.142 ( -1.541 0.270 0.818) 1.765 10.181 ( 1.010 -0.156 -0.672) 1.223 13.038 ( -2.622 -0.339 4.904) 5.572 13.288 ( 4.732 0.080 -8.016) 9.309 13.487 ( -2.821 -1.380 4.696) 5.650 13.584 ( -0.136 0.665 0.281) 0.735 13.973 ( -5.289 0.529 3.669) 6.458 14.135 ( 0.426 3.260 -4.244) 5.368 14.371 ( -4.886 -10.475 7.580) 13.822 14.512 ( 7.261 -5.680 -1.895) 9.412 16.247 ( 0.217 0.546 0.954) 1.121 16.282 ( 1.179 -0.222 -0.693) 1.386 16.522 ( -2.056 4.766 2.741) 5.870 16.715 ( 1.252 6.897 -8.378) 10.924 ======================= Grid point 116 (58/88) ======================= q-point: ( 0.29 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -9.877 -0.000 8.671) 13.143 0.625 ( 5.519 0.000 -0.012) 5.519 0.629 ( -4.298 -0.000 7.507) 8.650 0.853 ( 10.668 0.000 -10.539) 14.996 0.919 ( 8.844 0.000 -8.643) 12.366 0.940 ( 2.594 0.000 -3.450) 4.316 1.138 ( -7.742 -0.000 10.646) 13.163 1.473 ( -0.470 -0.000 0.235) 0.525 1.483 ( -2.601 -0.000 2.505) 3.611 1.620 ( 6.716 0.000 -7.489) 10.059 1.723 ( -1.336 -0.000 3.591) 3.831 1.739 ( 0.959 0.000 2.065) 2.277 1.929 ( 6.429 0.000 -6.229) 8.952 1.937 ( 0.839 0.000 -0.989) 1.297 2.154 ( -4.609 -0.000 5.870) 7.463 2.243 ( -3.937 -0.000 3.095) 5.008 2.244 ( 0.377 0.000 -2.954) 2.978 2.349 ( 0.558 0.000 -2.554) 2.614 2.574 ( -5.826 -0.000 7.194) 9.257 2.698 ( 0.810 0.000 -1.088) 1.356 2.961 ( 1.299 0.000 0.024) 1.299 2.974 ( -5.687 -0.000 6.448) 8.598 3.001 ( 1.986 0.000 -2.503) 3.195 3.209 ( 4.442 0.000 -4.535) 6.348 3.305 ( -0.453 -0.000 0.354) 0.575 3.435 ( 3.159 0.000 -1.830) 3.651 3.536 ( -4.555 -0.000 5.508) 7.148 3.762 ( 3.310 0.000 -3.278) 4.658 3.928 ( -0.915 -0.000 1.921) 2.128 4.033 ( 2.819 0.000 -4.375) 5.205 4.275 ( -5.684 -0.000 5.958) 8.235 4.512 ( 3.261 0.000 -4.709) 5.728 4.551 ( -2.453 -0.000 3.061) 3.922 4.823 ( -0.362 -0.000 -0.602) 0.703 4.826 ( -2.987 -0.000 4.555) 5.447 4.907 ( 5.892 0.000 -2.479) 6.392 5.066 ( 0.370 0.000 0.829) 0.908 5.155 ( 2.425 0.000 -3.119) 3.951 5.223 ( -4.528 -0.000 4.388) 6.305 5.449 ( 4.766 0.000 -7.457) 8.850 5.953 ( -1.140 -0.000 1.177) 1.639 6.013 ( 1.393 0.000 -3.313) 3.594 6.598 ( -7.264 -0.000 7.192) 10.222 6.840 ( 2.621 0.000 -3.758) 4.582 7.665 ( -4.105 -0.000 7.496) 8.546 7.854 ( 1.083 0.000 2.195) 2.447 8.066 ( -1.471 -0.000 1.652) 2.212 8.229 ( 4.079 0.000 -4.204) 5.858 8.567 ( -4.411 -0.000 -1.899) 4.802 8.935 ( -1.815 -0.000 0.526) 1.890 10.041 ( 0.909 0.000 -1.199) 1.505 10.049 ( -0.689 -0.000 1.039) 1.246 10.115 ( -1.779 -0.000 1.811) 2.539 10.180 ( 0.440 0.000 -1.125) 1.208 13.122 ( -2.527 -0.000 3.324) 4.175 13.185 ( 2.943 0.000 -4.750) 5.588 13.436 ( -3.506 -0.000 3.346) 4.846 13.731 ( 2.464 0.000 3.566) 4.335 13.869 ( -4.422 -0.000 4.854) 6.566 14.042 ( -0.182 -0.000 0.099) 0.207 14.318 ( -4.715 -0.000 -3.726) 6.009 14.977 ( 0.725 0.000 -0.354) 0.807 16.238 ( -1.195 -0.000 -1.797) 2.158 16.321 ( 1.862 0.000 1.262) 2.250 16.328 ( 1.536 0.000 -0.303) 1.565 16.527 ( 2.385 0.000 -1.239) 2.687 ======================= Grid point 117 (59/88) ======================= q-point: ( 0.43 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -6.986 -3.329 5.688) 9.604 0.615 ( -0.796 1.592 4.885) 5.199 0.704 ( -0.131 -3.092 0.507) 3.136 0.848 ( 8.364 1.838 -10.181) 13.304 0.933 ( 6.062 0.183 -4.719) 7.684 0.954 ( 3.643 -1.594 -4.260) 5.827 1.155 ( -7.688 -1.236 9.329) 12.152 1.432 ( -1.310 3.913 1.677) 4.454 1.466 ( -1.046 1.868 0.587) 2.220 1.627 ( 6.675 -0.324 -7.482) 10.032 1.727 ( -1.601 0.924 3.726) 4.160 1.766 ( 0.364 -0.556 1.923) 2.034 1.929 ( 1.384 0.580 -1.921) 2.438 1.937 ( 5.183 0.494 -5.129) 7.309 2.150 ( -4.413 0.380 5.255) 6.873 2.208 ( -2.288 1.651 2.357) 3.676 2.243 ( 0.196 -0.219 -1.328) 1.360 2.343 ( 1.328 -0.544 -2.699) 3.056 2.553 ( -6.241 2.086 7.299) 9.828 2.708 ( 1.444 -0.829 -1.361) 2.150 2.959 ( -1.003 0.919 1.181) 1.802 2.976 ( -4.152 -0.298 5.439) 6.849 3.008 ( 2.393 -0.478 -2.095) 3.216 3.214 ( 3.888 -0.210 -4.664) 6.076 3.308 ( -0.300 -0.250 0.648) 0.756 3.440 ( 3.221 0.878 -2.368) 4.093 3.540 ( -4.524 -0.442 5.421) 7.075 3.760 ( 3.351 0.466 -3.994) 5.234 3.939 ( -1.820 -1.073 2.659) 3.396 4.039 ( 2.196 -1.136 -3.331) 4.148 4.272 ( -4.928 -0.115 5.806) 7.616 4.501 ( 3.390 0.593 -4.786) 5.895 4.549 ( -2.308 0.545 3.499) 4.227 4.816 ( 0.021 -0.114 -0.961) 0.968 4.837 ( -2.523 -0.600 3.560) 4.404 4.927 ( 4.960 0.548 -3.556) 6.128 5.085 ( 0.114 -0.746 1.460) 1.644 5.153 ( 1.968 0.149 -2.618) 3.278 5.212 ( -4.549 0.139 4.550) 6.435 5.434 ( 4.818 0.507 -6.861) 8.399 5.943 ( -0.380 0.647 0.380) 0.841 6.016 ( 2.070 -1.127 -3.277) 4.036 6.589 ( -7.116 -0.153 7.440) 10.296 6.834 ( 2.630 0.108 -3.949) 4.745 7.672 ( -3.498 1.876 8.232) 9.139 7.855 ( 0.533 2.383 1.923) 3.108 8.085 ( -1.794 -1.940 2.427) 3.588 8.270 ( 4.770 -3.756 -4.591) 7.612 8.521 ( -3.338 0.114 -1.420) 3.629 8.840 ( -3.231 6.073 -3.971) 7.943 10.032 ( -0.018 0.768 -0.168) 0.786 10.050 ( -0.059 -0.127 -0.370) 0.396 10.116 ( -1.329 -0.253 1.696) 2.169 10.178 ( 0.336 -0.145 -0.981) 1.047 13.091 ( -2.832 2.224 2.638) 4.464 13.209 ( 3.506 -2.245 -4.314) 5.995 13.434 ( -2.581 0.499 4.527) 5.235 13.747 ( 1.879 2.755 2.355) 4.082 13.907 ( -2.605 -3.099 6.318) 7.504 14.039 ( -2.594 0.323 2.651) 3.723 14.261 ( -1.247 0.269 -3.990) 4.189 14.865 ( -0.502 8.888 -6.542) 11.048 16.206 ( 0.277 1.349 -0.596) 1.501 16.282 ( -0.977 1.341 0.526) 1.741 16.439 ( 2.758 -5.476 1.191) 6.246 16.607 ( 0.707 -7.040 -1.138) 7.166 ======================= Grid point 118 (60/88) ======================= q-point: ( 0.57 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -2.760 -5.625 2.419) 6.716 0.603 ( -2.993 2.636 4.945) 6.353 0.741 ( -1.123 -2.304 -0.734) 2.666 0.808 ( 6.061 1.351 -9.298) 11.181 0.943 ( 3.251 0.470 -2.403) 4.070 0.982 ( 5.548 -1.022 -6.175) 8.364 1.164 ( -9.379 -0.239 9.570) 13.402 1.353 ( -2.141 4.649 2.450) 5.675 1.415 ( 0.614 3.475 -0.878) 3.637 1.637 ( 6.226 -0.466 -7.325) 9.625 1.720 ( -1.982 1.022 3.913) 4.504 1.783 ( -0.248 -0.086 1.096) 1.127 1.912 ( 0.279 0.858 -1.259) 1.549 1.935 ( 5.520 0.670 -5.730) 7.984 2.144 ( -3.946 0.279 4.925) 6.317 2.186 ( -2.477 1.162 3.763) 4.653 2.240 ( 1.324 0.089 -1.587) 2.069 2.352 ( 2.782 -0.849 -3.225) 4.343 2.508 ( -6.746 2.714 7.940) 10.767 2.725 ( 2.276 -0.702 -2.329) 3.332 2.936 ( -1.914 1.183 1.524) 2.717 2.982 ( -3.524 0.071 4.749) 5.914 3.028 ( 2.196 -0.986 -1.809) 3.011 3.215 ( 3.206 -0.037 -4.483) 5.512 3.316 ( -0.085 -0.272 0.732) 0.786 3.428 ( 3.030 1.230 -3.068) 4.484 3.551 ( -4.520 -0.886 5.221) 6.962 3.751 ( 3.290 0.435 -4.372) 5.488 3.968 ( -3.116 -1.635 3.910) 5.260 4.057 ( 1.043 -1.203 -1.348) 2.087 4.282 ( -3.541 -1.013 4.798) 6.048 4.483 ( 3.816 0.893 -5.254) 6.555 4.540 ( -2.549 1.115 4.088) 4.945 4.814 ( 1.441 -0.115 -2.326) 2.739 4.851 ( -1.469 -0.561 2.114) 2.635 4.922 ( 4.386 1.413 -4.404) 6.375 5.107 ( -0.689 -0.784 1.319) 1.681 5.144 ( 0.474 0.699 -0.791) 1.157 5.215 ( -3.650 -1.047 4.288) 5.728 5.423 ( 4.622 0.304 -5.757) 7.389 5.936 ( 0.200 0.310 0.070) 0.376 6.035 ( 3.294 -1.233 -4.032) 5.350 6.588 ( -6.902 -0.462 7.861) 10.472 6.828 ( 2.683 0.007 -3.841) 4.685 7.656 ( -3.630 2.679 7.697) 8.922 7.816 ( 0.394 3.129 0.366) 3.174 8.120 ( -2.572 -1.554 3.446) 4.572 8.348 ( 5.876 -3.157 -6.385) 9.234 8.495 ( -2.976 -0.657 0.361) 3.069 8.684 ( -1.392 4.148 -4.624) 6.365 10.018 ( -0.736 0.503 0.416) 0.984 10.048 ( 0.822 0.050 -1.203) 1.458 10.126 ( -0.825 -0.544 1.525) 1.817 10.176 ( 0.316 -0.092 -0.779) 0.846 13.053 ( -3.241 1.462 3.540) 5.018 13.245 ( 4.682 -1.784 -5.821) 7.680 13.440 ( -1.946 0.510 5.390) 5.753 13.708 ( 0.653 3.675 -0.166) 3.736 13.994 ( -2.307 -3.079 7.791) 8.689 14.025 ( -4.625 0.589 5.345) 7.093 14.241 ( 1.272 -1.143 -3.765) 4.135 14.636 ( 1.844 10.090 -10.472) 14.659 16.205 ( 1.825 -0.388 0.517) 1.936 16.267 ( -2.386 -0.439 0.539) 2.486 16.554 ( 2.183 -3.643 1.970) 4.682 16.715 ( -0.939 -6.244 -2.283) 6.714 ======================= Grid point 119 (61/88) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -4.545 4.837 6.720) 9.445 0.604 ( -1.200 -5.369 0.647) 5.540 0.765 ( -2.690 -1.715 0.898) 3.314 0.781 ( 6.831 0.586 -8.134) 10.638 0.928 ( 4.445 1.815 -6.240) 7.873 0.995 ( 4.409 -0.171 -4.654) 6.413 1.143 ( -11.001 0.995 11.847) 16.197 1.292 ( -2.447 1.571 2.251) 3.678 1.360 ( 1.605 2.425 -1.344) 3.204 1.642 ( 5.463 0.022 -6.692) 8.639 1.717 ( -2.158 0.359 3.586) 4.201 1.778 ( -0.807 0.719 0.237) 1.107 1.893 ( 1.582 0.789 -1.865) 2.570 1.923 ( 4.581 1.024 -5.578) 7.291 2.139 ( -3.436 0.493 4.267) 5.501 2.178 ( -3.808 0.000 4.558) 5.939 2.242 ( 1.856 -0.283 -2.106) 2.821 2.372 ( 3.542 -0.930 -3.502) 5.067 2.464 ( -7.221 1.844 8.574) 11.360 2.736 ( 2.930 -0.224 -3.378) 4.477 2.915 ( -1.549 0.720 1.484) 2.263 2.981 ( -3.568 0.115 4.330) 5.612 3.048 ( 1.653 -0.646 -1.502) 2.325 3.209 ( 2.928 0.093 -4.154) 5.083 3.324 ( -0.089 -0.141 0.622) 0.644 3.411 ( 2.759 0.956 -3.243) 4.364 3.563 ( -4.321 -0.607 4.997) 6.634 3.741 ( 3.009 0.273 -4.048) 5.051 3.985 ( -3.769 -0.099 4.608) 5.954 4.078 ( 0.052 -1.097 -0.068) 1.100 4.309 ( -2.677 -1.316 3.762) 4.801 4.468 ( 4.322 0.317 -5.576) 7.062 4.528 ( -3.144 0.724 4.380) 5.440 4.809 ( 3.741 0.455 -4.823) 6.121 4.857 ( -0.875 0.135 1.147) 1.448 4.897 ( 2.902 1.532 -3.530) 4.819 5.105 ( -1.103 1.006 1.084) 1.845 5.138 ( -0.037 -0.188 -0.214) 0.288 5.236 ( -3.162 -0.880 4.125) 5.271 5.422 ( 4.285 -0.035 -4.755) 6.401 5.934 ( 0.211 0.149 -0.096) 0.276 6.052 ( 4.215 -0.565 -4.937) 6.516 6.596 ( -6.782 -0.669 8.168) 10.637 6.827 ( 2.782 -0.222 -3.481) 4.461 7.631 ( -4.420 1.760 6.380) 7.958 7.770 ( 0.699 2.111 -0.910) 2.403 8.137 ( -3.271 -0.209 3.929) 5.117 8.356 ( 4.694 1.227 -7.218) 8.697 8.503 ( -2.178 -1.995 2.386) 3.797 8.652 ( 1.938 -2.216 -3.183) 4.336 10.010 ( -0.830 -0.035 0.581) 1.013 10.047 ( 1.367 0.142 -1.343) 1.921 10.137 ( -0.931 -0.407 1.171) 1.551 10.177 ( 0.587 -0.119 -0.637) 0.874 13.037 ( -3.364 0.424 4.442) 5.588 13.267 ( 5.522 -1.109 -7.289) 9.211 13.458 ( -2.017 -0.075 5.570) 5.924 13.641 ( -0.241 3.100 -1.634) 3.512 14.011 ( -5.577 1.508 8.528) 10.301 14.077 ( -4.051 -3.704 6.063) 8.179 14.268 ( 2.246 -2.211 -2.567) 4.065 14.446 ( 4.981 5.509 -10.460) 12.828 16.250 ( 2.697 -0.756 0.755) 2.901 16.258 ( -1.608 -0.985 0.232) 1.900 16.612 ( -1.229 -0.290 3.187) 3.428 16.768 ( 0.638 -2.796 -4.636) 5.452 ======================= Grid point 120 (62/88) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -4.220 4.043 9.097) 10.813 0.649 ( -0.107 0.412 -0.648) 0.776 0.752 ( -2.810 1.201 3.915) 4.967 0.808 ( 6.673 -1.991 -6.946) 9.835 0.877 ( 7.445 2.807 -9.540) 12.422 0.997 ( 3.471 0.461 -4.373) 5.602 1.126 ( -10.634 0.681 14.384) 17.901 1.293 ( -2.379 -2.307 1.919) 3.829 1.361 ( 1.629 -2.021 -1.186) 2.854 1.638 ( 5.600 0.432 -6.805) 8.824 1.714 ( -2.788 0.541 3.429) 4.453 1.752 ( -0.909 1.340 0.104) 1.623 1.888 ( 3.029 0.193 -2.586) 3.988 1.909 ( 3.826 0.271 -4.531) 5.936 2.131 ( -3.031 0.324 3.693) 4.789 2.185 ( -4.764 -1.251 4.538) 6.697 2.252 ( 2.098 -0.927 -2.949) 3.736 2.385 ( 2.305 -0.337 -3.298) 4.038 2.456 ( -6.501 -0.868 8.654) 10.858 2.735 ( 2.854 0.252 -3.665) 4.652 2.907 ( -0.718 0.222 1.278) 1.482 2.982 ( -3.823 -0.244 4.529) 5.932 3.052 ( 1.221 0.402 -1.665) 2.103 3.205 ( 3.245 0.148 -3.900) 5.076 3.326 ( -0.227 -0.006 0.108) 0.251 3.399 ( 2.685 0.432 -3.053) 4.088 3.564 ( -4.173 0.394 4.939) 6.478 3.738 ( 3.272 0.039 -3.787) 5.004 3.974 ( -3.680 1.513 5.097) 6.466 4.087 ( -0.166 -0.196 -0.491) 0.554 4.321 ( -3.151 -0.110 3.068) 4.399 4.473 ( 4.264 -0.966 -5.097) 6.715 4.527 ( -3.569 -0.410 4.155) 5.493 4.797 ( 5.610 0.683 -6.203) 8.391 4.846 ( -0.766 1.139 0.884) 1.633 4.877 ( 1.315 0.740 -1.524) 2.145 5.088 ( -0.577 0.762 1.350) 1.654 5.135 ( 0.490 0.218 -1.044) 1.174 5.242 ( -3.349 0.235 4.048) 5.259 5.428 ( 4.238 -0.456 -4.914) 6.505 5.932 ( -0.063 0.029 -0.037) 0.079 6.056 ( 4.213 0.137 -5.168) 6.669 6.607 ( -6.835 -0.606 8.126) 10.636 6.833 ( 2.773 -0.293 -3.149) 4.206 7.615 ( -5.194 0.035 5.388) 7.484 7.754 ( 1.420 -0.109 -1.189) 1.856 8.129 ( -3.264 0.884 3.869) 5.138 8.324 ( 4.973 1.788 -5.403) 7.558 8.562 ( -1.452 -4.125 3.182) 5.408 8.691 ( 1.202 -2.550 -3.424) 4.435 10.013 ( -0.591 -0.480 0.470) 0.895 10.047 ( 1.379 0.189 -1.104) 1.776 10.137 ( -1.447 0.033 0.969) 1.741 10.182 ( 0.770 -0.200 -0.594) 0.993 13.041 ( -3.384 -0.350 4.861) 5.933 13.273 ( 5.480 -0.230 -7.888) 9.607 13.474 ( -3.987 -0.305 4.240) 5.828 13.600 ( 1.246 0.751 -0.146) 1.462 13.988 ( -5.160 2.185 6.915) 8.900 14.120 ( -5.416 -1.496 1.840) 5.913 14.286 ( 1.160 -1.172 -0.377) 1.691 14.450 ( 7.491 -5.592 -5.483) 10.838 16.238 ( -2.714 -0.070 0.120) 2.717 16.309 ( 5.123 -0.365 -0.276) 5.143 16.580 ( -5.996 2.911 2.905) 7.271 16.760 ( 3.748 2.089 -4.537) 6.245 ======================= Grid point 124 (63/88) ======================= q-point: ( 0.43 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -10.610 -0.000 9.909) 14.518 0.654 ( 0.353 0.000 -2.626) 2.649 0.678 ( -3.371 -0.000 8.164) 8.833 0.880 ( 7.866 0.000 -8.403) 11.511 0.914 ( 7.640 0.000 -11.636) 13.920 0.965 ( -0.101 -0.000 3.378) 3.379 1.138 ( -6.432 -0.000 6.468) 9.121 1.467 ( -3.178 -0.000 2.199) 3.865 1.479 ( 0.821 0.000 0.249) 0.858 1.629 ( 6.611 0.000 -7.469) 9.975 1.747 ( -2.264 -0.000 4.038) 4.630 1.775 ( 0.259 0.000 1.413) 1.436 1.928 ( -0.459 -0.000 -0.805) 0.926 1.954 ( 6.308 0.000 -6.000) 8.705 2.148 ( -4.991 -0.000 4.924) 7.011 2.229 ( 1.764 0.000 -1.733) 2.473 2.229 ( -1.751 -0.000 2.153) 2.776 2.332 ( 1.919 0.000 -2.723) 3.331 2.566 ( -6.434 -0.000 6.565) 9.192 2.704 ( 1.230 0.000 -0.598) 1.368 2.961 ( -6.564 -0.000 6.804) 9.454 2.980 ( 1.244 0.000 -0.410) 1.310 3.015 ( 2.518 0.000 -1.233) 2.803 3.211 ( 3.876 0.000 -5.113) 6.416 3.309 ( -0.515 -0.000 1.389) 1.481 3.457 ( 3.120 0.000 -2.823) 4.208 3.538 ( -4.633 -0.000 5.913) 7.512 3.763 ( 2.788 0.000 -3.860) 4.762 3.932 ( -1.193 -0.000 1.473) 1.896 4.024 ( 2.768 0.000 -3.663) 4.591 4.274 ( -5.010 -0.000 6.722) 8.384 4.503 ( 3.446 0.000 -4.663) 5.799 4.561 ( -2.061 -0.000 3.932) 4.440 4.806 ( -0.206 -0.000 -1.178) 1.195 4.832 ( -3.429 -0.000 3.983) 5.255 4.940 ( 3.905 0.000 -4.410) 5.890 5.091 ( -0.148 -0.000 1.550) 1.557 5.151 ( 1.847 0.000 -2.558) 3.156 5.206 ( -4.425 -0.000 4.260) 6.142 5.432 ( 5.117 0.000 -6.870) 8.566 5.948 ( -0.312 -0.000 0.072) 0.320 6.002 ( 2.349 0.000 -2.862) 3.703 6.580 ( -6.956 -0.000 7.616) 10.315 6.829 ( 2.709 0.000 -4.225) 5.019 7.732 ( -2.509 -0.000 10.507) 10.802 7.898 ( -0.756 -0.000 3.272) 3.358 8.065 ( -1.443 -0.000 1.772) 2.285 8.237 ( 3.769 0.000 -4.213) 5.653 8.486 ( -2.690 -0.000 -1.683) 3.173 8.817 ( -4.515 -0.000 -8.218) 9.376 10.037 ( -1.757 -0.000 0.405) 1.803 10.044 ( 1.396 0.000 -1.107) 1.781 10.114 ( -1.329 -0.000 1.816) 2.250 10.172 ( 0.463 0.000 -1.036) 1.135 13.104 ( -3.850 -0.000 2.076) 4.374 13.190 ( 4.396 0.000 -3.635) 5.704 13.457 ( -2.294 -0.000 6.449) 6.845 13.826 ( 5.570 0.000 -0.457) 5.589 13.891 ( -2.658 -0.000 6.887) 7.382 14.043 ( -5.043 -0.000 6.844) 8.501 14.229 ( 0.624 0.000 -4.044) 4.092 14.867 ( -3.785 -0.000 -10.035) 10.725 16.224 ( 0.901 0.000 -0.186) 0.920 16.323 ( -0.180 -0.000 -2.030) 2.038 16.386 ( 1.374 0.000 3.396) 3.663 16.540 ( 1.419 0.000 -1.507) 2.070 ======================= Grid point 125 (64/88) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -8.502 -3.822 7.911) 12.226 0.634 ( -3.991 -0.072 1.593) 4.298 0.706 ( -3.786 -0.413 6.465) 7.503 0.837 ( 8.447 2.867 -11.178) 14.301 0.934 ( 6.067 -1.677 -8.653) 10.700 0.983 ( -0.232 -0.102 2.444) 2.458 1.133 ( -7.315 -0.878 5.826) 9.393 1.422 ( -3.171 3.561 2.241) 5.269 1.471 ( 1.295 2.198 -0.080) 2.553 1.633 ( 6.372 -0.194 -7.507) 9.848 1.745 ( -2.950 0.857 4.147) 5.161 1.785 ( -0.305 -0.165 0.829) 0.899 1.914 ( -0.392 0.344 -0.996) 1.125 1.956 ( 5.400 0.741 -5.388) 7.664 2.141 ( -4.621 -0.219 4.517) 6.466 2.219 ( -0.095 1.335 1.824) 2.263 2.242 ( 1.701 -0.221 -1.023) 1.998 2.340 ( 3.126 -0.729 -3.019) 4.407 2.542 ( -6.626 1.535 6.817) 9.630 2.717 ( 1.389 -0.621 -0.828) 1.732 2.948 ( -5.013 0.697 5.341) 7.358 2.986 ( -0.742 0.033 1.373) 1.561 3.028 ( 2.900 -0.049 -1.730) 3.377 3.208 ( 3.495 -0.067 -5.111) 6.192 3.317 ( -0.502 -0.190 1.625) 1.712 3.450 ( 2.865 1.041 -3.703) 4.796 3.540 ( -4.806 -0.124 5.970) 7.666 3.755 ( 2.938 0.413 -4.362) 5.275 3.942 ( -1.862 -1.150 2.285) 3.164 4.035 ( 2.269 -1.207 -2.643) 3.687 4.280 ( -4.296 -0.059 6.363) 7.678 4.494 ( 3.719 0.692 -4.861) 6.159 4.567 ( -2.248 0.741 4.692) 5.255 4.802 ( 0.600 -0.544 -1.790) 1.964 4.838 ( -2.849 -0.884 3.039) 4.258 4.938 ( 3.809 0.185 -5.237) 6.478 5.098 ( -0.924 -0.380 1.392) 1.713 5.151 ( 1.389 0.081 -1.661) 2.166 5.201 ( -4.156 -0.300 4.501) 6.134 5.428 ( 5.256 0.255 -6.225) 8.151 5.943 ( 0.251 0.311 -0.249) 0.471 6.015 ( 2.977 -1.087 -3.100) 4.433 6.579 ( -6.756 -0.272 7.983) 10.462 6.823 ( 2.762 -0.026 -4.197) 5.025 7.752 ( -2.450 4.038 10.560) 11.568 7.879 ( -0.946 3.035 1.751) 3.630 8.088 ( -2.246 -2.090 2.855) 4.191 8.285 ( 4.937 -4.452 -4.857) 8.234 8.459 ( -2.572 -0.593 -0.406) 2.670 8.689 ( -2.483 3.023 -8.541) 9.394 10.020 ( -1.461 0.427 0.320) 1.555 10.050 ( 1.466 0.020 -1.027) 1.790 10.120 ( -1.111 -0.435 1.741) 2.111 10.171 ( 0.457 -0.160 -0.869) 0.995 13.071 ( -3.893 1.232 2.625) 4.854 13.219 ( 4.960 -1.402 -4.425) 6.793 13.478 ( -2.444 0.811 7.249) 7.692 13.793 ( 3.547 5.052 -2.991) 6.859 13.969 ( 0.281 -3.269 3.512) 4.806 14.053 ( -6.602 0.281 12.447) 14.093 14.217 ( 1.741 0.242 -2.436) 3.004 14.700 ( -1.541 6.036 -13.013) 14.427 16.225 ( 1.686 0.512 0.719) 1.903 16.268 ( -0.946 2.028 -0.671) 2.337 16.490 ( -0.342 -5.884 2.351) 6.345 16.594 ( 1.265 -5.488 -2.221) 6.054 ======================= Grid point 126 (65/88) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -5.061 -6.533 4.160) 9.252 0.596 ( -7.100 1.524 4.173) 8.375 0.726 ( -3.274 -1.234 4.892) 6.015 0.803 ( 8.921 1.093 -9.462) 13.051 0.934 ( 3.897 0.309 -7.030) 8.044 1.000 ( 3.525 -0.318 -3.037) 4.664 1.122 ( -10.622 -0.792 9.057) 13.981 1.337 ( -3.483 4.307 2.581) 6.111 1.428 ( 2.058 3.751 -0.833) 4.359 1.639 ( 5.850 -0.319 -7.027) 9.149 1.731 ( -3.489 0.799 4.143) 5.475 1.783 ( -0.569 0.389 0.080) 0.694 1.901 ( 0.533 0.204 -1.267) 1.390 1.946 ( 4.949 1.236 -5.434) 7.453 2.139 ( -4.427 -0.230 4.614) 6.398 2.202 ( -0.891 1.897 2.651) 3.379 2.248 ( 1.884 0.400 -1.194) 2.266 2.363 ( 3.822 -0.875 -3.384) 5.179 2.500 ( -6.985 2.366 7.566) 10.565 2.732 ( 2.031 -0.469 -1.924) 2.837 2.930 ( -2.436 1.039 3.122) 4.094 2.984 ( -3.054 0.252 3.384) 4.566 3.043 ( 2.604 -0.427 -1.988) 3.304 3.203 ( 3.140 -0.157 -4.727) 5.677 3.326 ( -0.435 -0.073 1.245) 1.321 3.427 ( 2.591 1.044 -3.855) 4.761 3.548 ( -4.699 -0.790 5.692) 7.423 3.743 ( 3.035 0.304 -4.345) 5.309 3.966 ( -2.887 -1.550 3.178) 4.565 4.060 ( 1.083 -1.232 -0.787) 1.819 4.296 ( -3.067 -0.784 5.057) 5.966 4.476 ( 4.089 0.923 -5.265) 6.730 4.557 ( -3.096 1.718 4.981) 6.111 4.805 ( 2.306 -0.370 -3.457) 4.172 4.852 ( -1.609 -0.794 1.808) 2.547 4.920 ( 3.472 1.115 -5.167) 6.324 5.110 ( -0.870 -0.517 1.229) 1.592 5.142 ( -0.027 0.772 0.115) 0.780 5.215 ( -3.265 -1.367 3.980) 5.326 5.427 ( 4.914 0.186 -5.258) 7.200 5.939 ( 0.310 0.274 -0.286) 0.503 6.039 ( 3.784 -1.132 -4.113) 5.703 6.586 ( -6.646 -0.520 8.264) 10.617 6.821 ( 2.814 -0.287 -3.862) 4.787 7.704 ( -4.036 5.175 7.951) 10.309 7.820 ( -0.162 3.429 -0.191) 3.438 8.120 ( -3.449 -1.471 3.693) 5.263 8.353 ( 6.589 -1.363 -7.457) 10.044 8.464 ( -2.809 -1.715 2.463) 4.111 8.616 ( 1.464 -0.962 -4.076) 4.437 10.007 ( -0.998 0.137 0.429) 1.095 10.054 ( 1.596 0.190 -1.047) 1.919 10.131 ( -0.884 -0.407 1.393) 1.699 10.174 ( 0.535 -0.249 -0.658) 0.884 13.044 ( -3.927 0.540 3.739) 5.449 13.250 ( 5.863 -0.988 -5.923) 8.392 13.487 ( -3.020 1.049 6.488) 7.233 13.697 ( 1.698 4.919 -4.318) 6.762 14.019 ( -4.087 -1.540 5.316) 6.880 14.097 ( -3.915 1.539 13.431) 14.074 14.219 ( 2.004 -1.699 -3.522) 4.394 14.503 ( 2.334 5.964 -12.687) 14.212 16.233 ( -1.720 0.180 -0.348) 1.764 16.265 ( 3.681 -1.414 0.707) 4.006 16.566 ( -5.051 -3.543 1.726) 6.407 16.702 ( 4.932 -5.133 -2.026) 7.401 ======================= Grid point 127 (66/88) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -7.107 1.673 5.104) 8.909 0.590 ( -0.774 -6.201 1.560) 6.441 0.764 ( -2.181 -1.363 5.340) 5.927 0.806 ( 7.308 0.365 -6.766) 9.966 0.896 ( 6.131 1.243 -10.718) 12.410 1.004 ( 3.419 0.535 -3.753) 5.105 1.120 ( -11.768 -1.294 12.832) 17.459 1.276 ( -2.718 1.304 2.301) 3.792 1.379 ( 2.010 2.629 -1.030) 3.466 1.642 ( 5.473 0.032 -6.563) 8.546 1.717 ( -3.590 0.502 3.379) 4.956 1.768 ( -0.309 0.779 0.131) 0.848 1.899 ( 1.518 -0.052 -1.501) 2.136 1.923 ( 4.753 1.348 -5.684) 7.531 2.136 ( -3.891 0.129 4.275) 5.782 2.180 ( -2.569 1.258 3.788) 4.747 2.247 ( 1.976 0.325 -1.829) 2.712 2.379 ( 2.987 -0.235 -3.602) 4.685 2.461 ( -7.155 1.147 8.375) 11.075 2.739 ( 2.884 0.072 -3.251) 4.347 2.919 ( -0.638 0.641 1.614) 1.850 2.977 ( -3.957 0.018 4.340) 5.873 3.054 ( 1.504 -0.121 -1.541) 2.156 3.203 ( 3.142 -0.311 -4.012) 5.105 3.328 ( -0.399 0.198 0.472) 0.649 3.409 ( 2.606 0.625 -3.522) 4.425 3.563 ( -4.211 -0.569 5.336) 6.821 3.738 ( 3.071 -0.063 -3.836) 4.914 3.984 ( -3.686 -0.610 4.203) 5.624 4.079 ( 0.038 -0.491 0.184) 0.526 4.316 ( -2.673 -0.422 3.729) 4.607 4.464 ( 4.420 0.119 -5.460) 7.026 4.533 ( -3.643 1.214 4.490) 5.909 4.803 ( 3.995 0.009 -5.305) 6.641 4.858 ( -0.705 0.117 0.950) 1.189 4.895 ( 2.548 1.113 -3.427) 4.414 5.108 ( -0.617 0.772 1.324) 1.653 5.136 ( 0.189 0.115 -0.113) 0.248 5.236 ( -3.365 -0.853 3.864) 5.194 5.428 ( 4.185 0.142 -4.812) 6.379 5.934 ( 0.124 0.263 -0.245) 0.381 6.054 ( 4.252 -0.385 -5.093) 6.646 6.596 ( -6.712 -0.523 8.275) 10.668 6.826 ( 2.752 -0.486 -3.461) 4.448 7.639 ( -4.844 3.116 5.926) 8.264 7.771 ( 0.735 1.741 -0.883) 2.086 8.131 ( -3.610 -0.413 3.771) 5.237 8.355 ( 6.143 0.841 -6.110) 8.705 8.501 ( -2.718 -2.968 3.165) 5.120 8.649 ( 3.085 -1.717 -3.084) 4.688 10.005 ( -0.486 -0.228 0.378) 0.656 10.055 ( 1.355 0.243 -1.009) 1.707 10.135 ( -0.956 0.084 0.988) 1.377 10.179 ( 0.586 -0.266 -0.576) 0.864 13.036 ( -3.885 -0.198 4.156) 5.693 13.268 ( 6.239 -0.200 -6.730) 9.179 13.473 ( -4.389 1.194 3.708) 5.868 13.629 ( 1.580 1.654 -1.250) 2.606 14.038 ( -5.876 0.084 7.878) 9.828 14.088 ( -5.124 2.977 7.940) 9.908 14.264 ( 1.973 -2.888 -3.197) 4.738 14.399 ( 6.316 -0.235 -9.579) 11.476 16.215 ( -1.766 -0.093 -0.426) 1.819 16.332 ( 4.530 -1.512 -0.580) 4.811 16.560 ( -6.714 -0.457 1.671) 6.934 16.794 ( 5.794 -1.015 -1.176) 5.999 ======================= Grid point 132 (67/88) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -10.003 -0.000 11.633) 15.343 0.589 ( -7.803 -0.000 3.033) 8.372 0.725 ( -4.234 -0.000 7.590) 8.691 0.882 ( 5.866 0.000 -7.786) 9.749 0.883 ( 9.396 0.000 -13.120) 16.137 0.987 ( -7.005 -0.000 7.671) 10.388 1.105 ( -3.508 -0.000 1.164) 3.696 1.444 ( -2.564 -0.000 1.989) 3.245 1.502 ( 0.932 0.000 0.728) 1.183 1.632 ( 6.236 0.000 -7.634) 9.857 1.754 ( -3.437 -0.000 3.910) 5.206 1.783 ( -0.884 -0.000 0.589) 1.062 1.905 ( -0.501 -0.000 -1.087) 1.197 1.968 ( 4.255 0.000 -4.832) 6.438 2.128 ( -4.197 -0.000 3.621) 5.543 2.247 ( 0.999 0.000 1.193) 1.556 2.249 ( 2.767 0.000 -1.368) 3.087 2.344 ( 4.124 0.000 -2.708) 4.934 2.542 ( -6.840 -0.000 6.298) 9.298 2.718 ( 0.816 0.000 -0.009) 0.816 2.950 ( -6.711 -0.000 7.914) 10.376 2.989 ( 1.373 0.000 -1.576) 2.090 3.042 ( 2.830 0.000 -1.676) 3.289 3.202 ( 3.699 0.000 -5.128) 6.323 3.324 ( -0.869 -0.000 2.290) 2.449 3.455 ( 2.599 0.000 -4.461) 5.163 3.544 ( -4.866 -0.000 6.482) 8.105 3.751 ( 2.409 0.000 -4.143) 4.792 3.933 ( -1.259 -0.000 1.664) 2.087 4.025 ( 2.929 0.000 -3.116) 4.276 4.289 ( -4.521 -0.000 6.848) 8.206 4.500 ( 3.976 0.000 -4.713) 6.166 4.592 ( -1.970 -0.000 5.631) 5.966 4.786 ( 0.738 0.000 -2.234) 2.353 4.823 ( -3.511 -0.000 3.291) 4.813 4.929 ( 3.100 0.000 -5.409) 6.235 5.095 ( -1.195 -0.000 1.151) 1.659 5.151 ( 1.644 0.000 -1.531) 2.246 5.196 ( -3.934 -0.000 4.468) 5.953 5.433 ( 5.715 0.000 -6.217) 8.444 5.945 ( 0.412 0.000 -0.725) 0.834 6.012 ( 3.301 0.000 -2.647) 4.231 6.577 ( -6.549 -0.000 8.325) 10.592 6.817 ( 2.861 0.000 -4.267) 5.137 7.877 ( 0.575 0.000 12.641) 12.654 7.907 ( -2.486 -0.000 1.681) 3.001 8.068 ( -1.796 -0.000 2.846) 3.366 8.234 ( 3.318 0.000 -5.099) 6.083 8.434 ( -2.659 -0.000 1.605) 3.106 8.633 ( -1.317 -0.000 -9.098) 9.193 10.012 ( -1.453 -0.000 0.229) 1.471 10.059 ( 1.772 0.000 -0.580) 1.865 10.118 ( -1.356 -0.000 1.825) 2.274 10.168 ( 0.636 0.000 -0.878) 1.084 13.062 ( -4.203 -0.000 2.097) 4.697 13.224 ( 5.406 0.000 -3.517) 6.450 13.516 ( -3.287 -0.000 8.153) 8.791 13.849 ( 6.525 0.000 -12.393) 14.006 13.962 ( -1.503 -0.000 8.094) 8.232 14.076 ( -3.911 -0.000 7.537) 8.491 14.263 ( 1.330 0.000 9.380) 9.474 14.639 ( -1.614 -0.000 -14.706) 14.794 16.253 ( 1.532 0.000 1.051) 1.858 16.275 ( -1.361 -0.000 -2.585) 2.922 16.442 ( -0.444 -0.000 3.413) 3.442 16.528 ( 0.588 0.000 -2.935) 2.993 ======================= Grid point 133 (68/88) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -7.956 -2.831 9.248) 12.523 0.552 ( -9.963 -0.807 4.737) 11.061 0.734 ( -4.404 0.343 6.658) 7.990 0.833 ( 8.724 1.811 -10.224) 13.562 0.911 ( 4.595 -1.200 -7.348) 8.749 0.983 ( -6.100 -1.265 5.055) 8.023 1.085 ( -4.437 -0.325 1.830) 4.810 1.404 ( -2.255 3.864 2.280) 5.021 1.495 ( 1.027 2.297 0.345) 2.540 1.634 ( 5.910 -0.291 -7.260) 9.366 1.741 ( -3.817 0.813 3.537) 5.267 1.780 ( -1.129 -0.163 0.283) 1.175 1.894 ( 0.097 -0.031 -1.331) 1.335 1.964 ( 3.772 0.514 -4.703) 6.051 2.125 ( -3.912 -0.558 3.695) 5.410 2.248 ( 1.374 1.507 0.558) 2.114 2.265 ( 2.313 0.237 -0.762) 2.447 2.366 ( 4.599 -0.211 -2.719) 5.347 2.521 ( -6.833 0.996 6.636) 9.577 2.728 ( 0.732 -0.400 -0.304) 0.888 2.947 ( -4.602 0.524 6.137) 7.689 2.985 ( -0.683 0.254 0.092) 0.734 3.050 ( 2.959 0.165 -2.415) 3.823 3.197 ( 3.478 0.167 -4.703) 5.852 3.331 ( -0.925 0.046 1.979) 2.185 3.434 ( 2.237 0.819 -4.531) 5.119 3.543 ( -5.033 0.193 6.323) 8.084 3.742 ( 2.764 0.144 -4.347) 5.153 3.941 ( -1.774 -0.908 1.934) 2.776 4.042 ( 2.450 -1.295 -2.138) 3.500 4.299 ( -3.824 -0.122 6.260) 7.337 4.493 ( 4.265 0.906 -4.937) 6.587 4.600 ( -2.812 1.787 6.039) 6.897 4.789 ( 2.032 -0.902 -3.321) 3.997 4.829 ( -2.659 -1.314 2.635) 3.968 4.918 ( 2.624 -0.056 -5.258) 5.876 5.099 ( -1.069 -0.624 1.247) 1.757 5.155 ( 1.048 0.277 -0.885) 1.399 5.198 ( -3.447 -0.487 4.425) 5.631 5.437 ( 5.750 0.247 -5.806) 8.175 5.942 ( 0.397 0.114 -0.729) 0.838 6.028 ( 3.661 -0.632 -3.147) 4.869 6.583 ( -6.392 -0.204 8.587) 10.707 6.813 ( 2.960 -0.164 -3.989) 4.970 7.850 ( -2.157 7.148 5.042) 9.010 7.873 ( -1.420 4.372 2.608) 5.285 8.088 ( -2.975 -1.469 3.443) 4.782 8.302 ( 6.323 -5.188 -7.609) 11.171 8.454 ( -1.567 -0.672 7.919) 8.100 8.583 ( 1.509 -1.032 -4.115) 4.503 10.004 ( -0.872 0.038 0.374) 0.950 10.066 ( 1.485 0.437 -0.399) 1.598 10.126 ( -0.828 -0.634 1.607) 1.916 10.170 ( 0.703 -0.173 -0.772) 1.058 13.041 ( -3.956 0.286 2.943) 4.940 13.251 ( 5.835 -0.548 -4.296) 7.266 13.528 ( -3.982 1.417 7.186) 8.337 13.754 ( 2.858 4.343 -10.881) 12.059 14.010 ( -2.876 -0.528 7.014) 7.599 14.116 ( 0.717 -2.837 0.483) 2.965 14.309 ( -1.054 6.529 16.718) 17.979 14.504 ( 1.444 3.036 -13.949) 14.349 16.230 ( -1.148 1.260 -1.390) 2.199 16.275 ( 2.426 -0.721 0.651) 2.613 16.473 ( -3.872 -2.803 1.121) 4.910 16.613 ( 4.045 -8.607 -2.110) 9.742 ======================= Grid point 134 (69/88) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -5.021 -5.212 1.919) 7.487 0.524 ( -8.392 -2.066 8.177) 11.898 0.751 ( -2.470 -1.597 5.027) 5.824 0.826 ( 7.139 0.184 -7.388) 10.276 0.892 ( 4.894 1.264 -9.551) 10.806 0.998 ( -1.960 -1.630 0.845) 2.685 1.079 ( -8.156 -1.522 7.995) 11.522 1.324 ( -2.322 4.518 3.008) 5.904 1.448 ( 1.246 3.902 -0.675) 4.152 1.640 ( 5.067 -0.334 -6.240) 8.045 1.719 ( -3.464 0.594 2.885) 4.547 1.773 ( -0.885 0.138 0.363) 0.966 1.891 ( 0.515 -0.379 -1.572) 1.697 1.947 ( 3.934 1.204 -5.387) 6.779 2.128 ( -3.996 -0.440 4.139) 5.770 2.227 ( 0.305 2.487 1.505) 2.922 2.266 ( 2.006 0.936 -1.164) 2.501 2.381 ( 3.732 0.219 -3.210) 4.928 2.484 ( -7.094 1.915 7.401) 10.429 2.738 ( 1.508 -0.359 -1.560) 2.200 2.937 ( -0.563 0.909 1.087) 1.525 2.975 ( -4.554 0.121 4.902) 6.692 3.055 ( 2.355 -0.035 -2.474) 3.416 3.195 ( 3.255 -0.328 -4.097) 5.243 3.332 ( -0.650 0.261 0.919) 1.155 3.413 ( 2.333 0.451 -3.989) 4.643 3.551 ( -4.604 -0.842 5.964) 7.581 3.735 ( 3.049 -0.028 -4.100) 5.110 3.958 ( -2.918 -1.456 2.563) 4.147 4.071 ( 1.084 -1.054 -0.272) 1.536 4.315 ( -2.735 -0.367 4.674) 5.428 4.477 ( 4.573 1.075 -5.241) 7.038 4.568 ( -4.366 2.649 5.648) 7.615 4.794 ( 3.400 -0.457 -5.124) 6.167 4.850 ( -1.264 -1.019 1.341) 2.106 4.901 ( 1.958 0.352 -4.028) 4.493 5.109 ( -0.972 -0.527 0.587) 1.252 5.147 ( 0.287 0.637 0.096) 0.705 5.216 ( -3.034 -1.180 3.844) 5.037 5.437 ( 4.922 0.604 -5.443) 7.363 5.938 ( 0.153 0.207 -0.399) 0.475 6.046 ( 3.991 -0.634 -4.351) 5.938 6.593 ( -6.378 -0.240 8.600) 10.710 6.817 ( 2.939 -0.401 -3.552) 4.627 7.723 ( -4.925 6.696 5.313) 9.865 7.807 ( -0.527 2.809 -0.775) 2.961 8.110 ( -3.455 -1.376 3.523) 5.123 8.348 ( 4.837 -2.010 -7.954) 9.524 8.488 ( -1.019 0.579 5.141) 5.273 8.645 ( 5.676 -1.349 0.224) 5.838 10.002 ( -0.194 -0.058 0.397) 0.446 10.064 ( 0.618 0.441 -0.553) 0.939 10.138 ( -0.056 0.013 0.917) 0.919 10.175 ( 0.648 -0.278 -0.659) 0.965 13.029 ( -3.651 0.007 3.565) 5.103 13.276 ( 6.360 -0.199 -5.460) 8.384 13.493 ( -4.472 2.578 3.280) 6.115 13.655 ( 0.660 1.816 -4.106) 4.538 14.029 ( -5.010 0.029 6.701) 8.367 14.179 ( 1.538 -3.739 -1.757) 4.409 14.248 ( -4.764 8.664 12.981) 16.318 14.401 ( 5.379 2.070 -9.893) 11.449 16.203 ( -0.458 0.308 -0.720) 0.907 16.326 ( 2.482 -1.870 -0.808) 3.211 16.495 ( -4.117 -2.705 1.446) 5.134 16.782 ( 6.476 -5.792 -2.250) 8.975 ======================= Grid point 140 (70/88) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -8.232 -0.000 11.639) 14.256 0.489 ( -11.340 -0.000 5.882) 12.774 0.740 ( -5.545 -0.000 6.397) 8.466 0.866 ( 5.248 0.000 -7.917) 9.499 0.876 ( 8.262 0.000 -9.009) 12.224 0.942 ( -11.290 -0.000 8.859) 14.351 1.056 ( -2.316 -0.000 -1.147) 2.585 1.444 ( -0.719 -0.000 1.919) 2.050 1.522 ( -0.112 -0.000 0.956) 0.963 1.629 ( 5.892 0.000 -7.500) 9.537 1.743 ( -3.815 -0.000 3.403) 5.112 1.763 ( -1.664 -0.000 -0.386) 1.708 1.887 ( 0.716 0.000 -1.548) 1.706 1.963 ( 2.647 0.000 -4.191) 4.957 2.112 ( -3.459 -0.000 3.520) 4.935 2.275 ( 2.875 0.000 -1.722) 3.352 2.283 ( 1.465 0.000 0.498) 1.548 2.393 ( 5.453 0.000 -2.271) 5.907 2.516 ( -6.667 -0.000 6.658) 9.422 2.728 ( -0.162 -0.000 0.627) 0.648 2.957 ( -6.088 -0.000 8.517) 10.469 2.978 ( 1.536 0.000 -3.624) 3.936 3.059 ( 2.723 0.000 -2.748) 3.869 3.200 ( 3.864 0.000 -4.416) 5.868 3.338 ( -1.241 -0.000 2.198) 2.524 3.428 ( 2.213 0.000 -5.005) 5.473 3.550 ( -5.365 -0.000 6.627) 8.527 3.734 ( 2.434 0.000 -3.998) 4.681 3.932 ( -1.427 -0.000 1.116) 1.812 4.035 ( 3.185 0.000 -2.907) 4.312 4.310 ( -3.923 -0.000 6.487) 7.581 4.505 ( 4.426 0.000 -4.784) 6.517 4.648 ( -1.590 -0.000 6.400) 6.595 4.769 ( 2.702 0.000 -4.421) 5.181 4.810 ( -3.363 -0.000 3.317) 4.723 4.901 ( 1.427 0.000 -3.894) 4.147 5.092 ( -1.005 -0.000 1.052) 1.455 5.157 ( 1.262 0.000 -1.797) 2.196 5.200 ( -3.144 -0.000 4.781) 5.722 5.449 ( 6.228 0.000 -6.009) 8.654 5.940 ( 0.351 0.000 -0.873) 0.941 6.036 ( 3.998 0.000 -2.689) 4.818 6.589 ( -6.188 -0.000 8.842) 10.792 6.811 ( 3.143 0.000 -3.773) 4.911 7.867 ( -2.228 -0.000 -1.146) 2.506 8.000 ( 1.574 0.000 -2.006) 2.550 8.090 ( -2.124 -0.000 3.158) 3.806 8.211 ( 3.563 0.000 -6.002) 6.980 8.555 ( 1.700 0.000 -2.889) 3.352 8.559 ( 3.972 0.000 21.329) 21.696 10.000 ( -0.614 -0.000 0.548) 0.824 10.088 ( 2.136 0.000 -0.140) 2.140 10.119 ( -1.537 -0.000 1.930) 2.468 10.170 ( 0.946 0.000 -0.866) 1.283 13.032 ( -3.498 -0.000 3.061) 4.648 13.266 ( 5.363 0.000 -3.832) 6.592 13.557 ( -4.654 -0.000 7.250) 8.615 13.715 ( 0.473 0.000 -14.365) 14.372 14.043 ( -2.720 -0.000 7.569) 8.043 14.089 ( 2.782 0.000 -3.668) 4.604 14.452 ( 3.377 0.000 -12.915) 13.349 14.565 ( 5.764 0.000 24.807) 25.468 16.221 ( -1.221 -0.000 -1.544) 1.969 16.293 ( 1.159 0.000 1.069) 1.576 16.461 ( -1.964 -0.000 -6.083) 6.392 16.463 ( -1.888 -0.000 2.395) 3.049 ======================= Grid point 141 (71/88) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -7.789 -0.492 7.557) 10.863 0.465 ( -9.918 -2.729 8.802) 13.539 0.738 ( -4.856 -0.656 5.199) 7.144 0.834 ( 6.592 1.075 -9.103) 11.290 0.893 ( 4.980 0.427 -6.306) 8.047 0.936 ( -6.226 -2.763 4.179) 7.992 1.041 ( -5.137 -1.277 3.862) 6.553 1.413 ( -0.621 4.235 2.326) 4.871 1.507 ( -0.077 2.263 0.261) 2.279 1.631 ( 5.297 -0.434 -6.826) 8.651 1.719 ( -3.318 0.788 2.119) 4.015 1.759 ( -2.007 -0.837 0.522) 2.236 1.883 ( 1.226 0.155 -1.879) 2.249 1.952 ( 2.585 0.386 -4.637) 5.323 2.116 ( -3.431 -0.523 3.948) 5.256 2.274 ( 2.015 1.393 -0.916) 2.615 2.290 ( 1.283 0.707 -0.446) 1.532 2.409 ( 4.388 1.216 -2.480) 5.185 2.503 ( -6.225 0.964 6.835) 9.295 2.733 ( -0.097 -0.297 0.413) 0.518 2.951 ( 0.139 0.866 -1.390) 1.644 2.972 ( -5.057 -0.233 6.139) 7.958 3.058 ( 2.583 0.205 -3.226) 4.138 3.194 ( 3.316 0.410 -4.236) 5.395 3.338 ( -0.973 0.276 1.336) 1.675 3.410 ( 2.245 0.277 -4.240) 4.805 3.545 ( -5.296 0.076 6.597) 8.460 3.731 ( 2.910 -0.143 -4.058) 4.996 3.930 ( -2.346 -0.735 1.304) 2.783 4.056 ( 2.560 -1.384 -2.039) 3.554 4.322 ( -3.209 -0.028 5.438) 6.314 4.500 ( 4.606 1.036 -4.953) 6.842 4.629 ( -4.023 3.768 5.804) 8.004 4.776 ( 3.489 -0.776 -5.311) 6.401 4.823 ( -2.045 -1.641 1.871) 3.221 4.889 ( 0.533 -0.163 -2.555) 2.615 5.094 ( -1.009 -0.393 0.439) 1.168 5.150 ( 0.554 -0.016 -2.033) 2.107 5.207 ( -2.952 -0.141 4.520) 5.401 5.455 ( 5.923 0.676 -6.028) 8.478 5.937 ( 0.057 0.009 -0.391) 0.395 6.048 ( 3.954 0.219 -3.275) 5.139 6.599 ( -6.104 -0.021 8.844) 10.746 6.814 ( 3.203 -0.160 -3.371) 4.653 7.817 ( -1.623 3.379 -1.619) 4.084 7.866 ( -4.171 7.704 -0.013) 8.760 8.084 ( -2.899 -0.897 3.240) 4.439 8.268 ( 3.651 -4.534 -7.743) 9.687 8.546 ( 1.541 1.713 2.103) 3.119 8.745 ( 8.794 2.716 11.502) 14.731 10.003 ( 0.030 -0.171 0.531) 0.559 10.078 ( -0.041 1.352 -0.043) 1.353 10.140 ( 0.273 -0.901 0.806) 1.240 10.173 ( 0.981 -0.096 -0.903) 1.337 13.026 ( -3.115 0.086 3.450) 4.649 13.287 ( 5.592 -0.438 -4.776) 7.367 13.526 ( -4.578 3.165 2.543) 6.119 13.629 ( -1.850 -0.543 -5.342) 5.680 14.047 ( -4.745 1.113 5.736) 7.527 14.110 ( 3.385 -2.748 -5.118) 6.723 14.402 ( 6.037 2.081 -8.211) 10.402 14.578 ( -1.208 17.268 20.152) 26.566 16.204 ( 0.030 0.274 -0.472) 0.547 16.312 ( 1.075 -0.551 -0.356) 1.260 16.424 ( -1.688 -3.296 -0.234) 3.711 16.636 ( 3.543 -13.869 -5.101) 15.197 ======================= Grid point 148 (72/88) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -12.072 -0.000 8.488) 14.757 0.401 ( -7.273 -0.000 11.262) 13.407 0.720 ( -5.992 -0.000 4.902) 7.741 0.842 ( 6.122 0.000 -9.303) 11.137 0.880 ( -3.305 -0.000 1.171) 3.507 0.905 ( 6.929 0.000 -6.550) 9.535 1.013 ( -7.179 -0.000 7.701) 10.529 1.466 ( 0.023 0.000 1.892) 1.892 1.524 ( -1.153 -0.000 0.969) 1.506 1.623 ( 5.756 0.000 -7.619) 9.549 1.722 ( -2.093 -0.000 -0.594) 2.175 1.723 ( -3.521 -0.000 2.701) 4.438 1.887 ( 2.041 0.000 -1.958) 2.828 1.944 ( 2.126 0.000 -4.245) 4.748 2.112 ( -3.222 -0.000 4.452) 5.496 2.296 ( 2.792 0.000 -2.257) 3.590 2.300 ( -0.481 -0.000 0.619) 0.784 2.444 ( 4.564 0.000 -3.480) 5.739 2.511 ( -5.276 -0.000 7.122) 8.863 2.734 ( -0.866 -0.000 1.552) 1.777 2.943 ( 0.835 0.000 -3.994) 4.080 2.973 ( -5.637 -0.000 7.820) 9.640 3.057 ( 2.288 0.000 -3.471) 4.157 3.195 ( 3.132 0.000 -5.199) 6.070 3.340 ( -1.281 -0.000 1.153) 1.723 3.402 ( 2.473 0.000 -4.071) 4.763 3.548 ( -5.793 -0.000 6.840) 8.963 3.725 ( 2.790 0.000 -3.582) 4.541 3.910 ( -2.483 -0.000 0.883) 2.635 4.048 ( 3.250 0.000 -3.100) 4.492 4.331 ( -3.263 -0.000 4.978) 5.952 4.514 ( 4.513 0.000 -4.807) 6.593 4.676 ( -4.607 -0.000 3.379) 5.714 4.757 ( 5.120 0.000 -6.615) 8.365 4.800 ( -3.190 -0.000 3.130) 4.469 4.875 ( -0.661 -0.000 -0.768) 1.013 5.088 ( -0.714 -0.000 0.349) 0.794 5.135 ( 1.005 0.000 -3.235) 3.387 5.218 ( -3.017 -0.000 4.952) 5.798 5.471 ( 6.358 0.000 -6.389) 9.014 5.936 ( -0.175 -0.000 0.201) 0.267 6.066 ( 4.046 0.000 -3.250) 5.190 6.610 ( -6.002 -0.000 8.812) 10.662 6.818 ( 3.341 0.000 -3.059) 4.530 7.819 ( -0.390 -0.000 -2.175) 2.210 7.888 ( -6.486 -0.000 -5.666) 8.612 8.077 ( -2.848 -0.000 2.736) 3.949 8.198 ( 4.124 0.000 -5.175) 6.617 8.593 ( 3.294 0.000 1.887) 3.796 8.955 ( 7.952 0.000 5.541) 9.692 10.005 ( 0.059 0.000 0.796) 0.798 10.102 ( 0.372 0.000 -2.282) 2.312 10.120 ( -1.720 -0.000 2.194) 2.788 10.176 ( 1.213 0.000 -0.816) 1.462 13.027 ( -2.742 -0.000 3.639) 4.556 13.288 ( 4.161 0.000 -4.769) 6.329 13.548 ( -1.616 -0.000 -4.097) 4.404 13.559 ( -5.541 -0.000 5.362) 7.711 14.044 ( -5.534 -0.000 2.624) 6.124 14.078 ( 3.617 0.000 -5.614) 6.678 14.443 ( 9.529 0.000 -3.999) 10.335 14.949 ( 4.079 0.000 4.015) 5.723 16.216 ( 1.004 0.000 1.473) 1.783 16.313 ( 0.330 0.000 -0.095) 0.344 16.322 ( -2.787 -0.000 -2.025) 3.445 16.446 ( -3.124 -0.000 1.322) 3.393 ======================= Grid point 149 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 7.725 0.000 -10.588) 13.106 0.583 ( -7.725 -0.000 10.588) 13.106 0.663 ( 9.778 0.000 -11.131) 14.816 0.663 ( -9.778 -0.000 11.131) 14.816 0.782 ( 7.369 0.000 -6.057) 9.538 0.782 ( -7.369 -0.000 6.057) 9.538 1.378 ( 11.548 0.000 -15.883) 19.637 1.378 ( -11.548 -0.000 15.883) 19.637 1.510 ( 0.174 0.000 -0.985) 1.000 1.510 ( -0.174 -0.000 0.985) 1.000 1.714 ( 0.450 0.000 -0.961) 1.061 1.714 ( -0.450 -0.000 0.961) 1.061 1.887 ( -1.381 -0.000 -0.166) 1.391 1.887 ( 1.381 0.000 0.166) 1.391 2.227 ( 2.803 0.000 -5.034) 5.762 2.227 ( -2.803 -0.000 5.034) 5.762 2.345 ( 2.702 0.000 -4.259) 5.043 2.345 ( -2.702 -0.000 4.259) 5.043 2.667 ( 3.220 0.000 -6.427) 7.189 2.667 ( -3.220 -0.000 6.427) 7.189 2.961 ( 2.196 0.000 -4.447) 4.960 2.961 ( -2.196 -0.000 4.447) 4.960 3.086 ( 4.782 0.000 -5.071) 6.970 3.086 ( -4.782 -0.000 5.071) 6.970 3.346 ( 2.666 0.000 -1.966) 3.312 3.346 ( -2.666 -0.000 1.966) 3.312 3.655 ( 4.977 0.000 -4.998) 7.053 3.655 ( -4.977 -0.000 4.998) 7.053 3.968 ( 3.251 0.000 -4.929) 5.904 3.968 ( -3.251 -0.000 4.929) 5.904 4.421 ( 5.202 0.000 -5.581) 7.629 4.421 ( -5.202 -0.000 5.581) 7.629 4.667 ( 7.010 0.000 -3.933) 8.038 4.667 ( -7.010 -0.000 3.933) 8.038 4.854 ( 0.488 0.000 -1.824) 1.888 4.854 ( -0.488 -0.000 1.824) 1.888 5.087 ( 2.298 0.000 -1.665) 2.838 5.087 ( -2.298 -0.000 1.665) 2.838 5.345 ( 5.363 0.000 -6.940) 8.771 5.345 ( -5.363 -0.000 6.940) 8.771 5.995 ( 2.009 0.000 -3.757) 4.260 5.995 ( -2.009 -0.000 3.757) 4.260 6.756 ( 5.172 0.000 -5.669) 7.674 6.756 ( -5.172 -0.000 5.669) 7.674 7.764 ( 3.945 0.000 -2.164) 4.499 7.764 ( -3.945 -0.000 2.164) 4.499 8.128 ( 3.674 0.000 -3.577) 5.128 8.128 ( -3.674 -0.000 3.577) 5.128 8.806 ( -6.832 -0.000 -5.059) 8.501 8.806 ( 6.832 0.000 5.059) 8.501 10.040 ( -0.141 -0.000 -1.183) 1.191 10.040 ( 0.141 0.000 1.183) 1.191 10.161 ( 1.565 0.000 -1.755) 2.351 10.161 ( -1.565 -0.000 1.755) 2.351 13.154 ( 2.172 0.000 -6.177) 6.548 13.154 ( -2.172 -0.000 6.177) 6.548 13.578 ( -5.609 -0.000 1.391) 5.779 13.578 ( 5.609 0.000 -1.391) 5.779 13.994 ( 3.778 0.000 -2.136) 4.340 13.994 ( -3.778 -0.000 2.136) 4.340 14.685 ( -13.166 -0.000 -4.264) 13.840 14.685 ( 13.166 0.000 4.264) 13.840 16.271 ( -0.439 -0.000 -1.839) 1.891 16.271 ( 0.439 0.000 1.839) 1.891 16.401 ( -5.462 -0.000 0.214) 5.466 16.401 ( 5.462 0.000 -0.214) 5.466 ======================= Grid point 151 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.944 1.062 -5.761) 5.934 0.608 ( 4.000 -1.532 -2.018) 4.735 0.673 ( -5.385 -0.345 7.884) 9.554 0.683 ( 4.144 -0.915 -2.630) 4.993 0.799 ( -4.292 -2.947 5.740) 7.749 0.821 ( 6.076 -1.822 -4.729) 7.912 1.369 ( 11.199 -0.473 -15.927) 19.476 1.396 ( -11.135 -0.803 14.549) 18.339 1.471 ( 0.345 3.408 -1.123) 3.605 1.487 ( 0.229 3.255 1.232) 3.488 1.718 ( 0.663 -0.450 -0.636) 1.023 1.731 ( 0.554 -0.995 1.320) 1.743 1.871 ( -0.912 0.540 -0.284) 1.097 1.895 ( 1.588 0.561 -0.013) 1.684 2.207 ( 1.962 0.752 -4.167) 4.667 2.228 ( -2.337 0.919 3.854) 4.600 2.328 ( 0.510 0.997 -1.826) 2.142 2.340 ( -2.523 1.102 3.500) 4.453 2.643 ( 3.887 0.891 -6.469) 7.600 2.671 ( -3.742 1.333 6.544) 7.656 2.949 ( 2.524 -0.069 -4.217) 4.914 2.969 ( -2.355 0.299 4.367) 4.970 3.087 ( -2.205 -0.505 2.154) 3.124 3.102 ( 2.899 -0.941 -2.148) 3.728 3.339 ( -2.281 0.001 2.048) 3.065 3.355 ( 2.528 0.191 -1.662) 3.032 3.648 ( -4.603 0.045 4.986) 6.786 3.658 ( 4.923 0.354 -5.176) 7.152 3.980 ( 3.250 -1.941 -4.796) 6.110 3.994 ( -3.144 -2.051 4.730) 6.038 4.409 ( -5.509 0.675 5.627) 7.904 4.419 ( 4.450 0.592 -5.035) 6.746 4.640 ( -5.814 0.250 4.657) 7.453 4.694 ( 7.553 1.035 -3.996) 8.607 4.849 ( 0.707 -0.163 -1.334) 1.518 4.862 ( -0.271 0.148 1.495) 1.526 5.083 ( -1.065 -0.332 0.551) 1.244 5.100 ( 1.522 -0.557 -0.497) 1.695 5.331 ( 2.667 0.663 -4.399) 5.187 5.341 ( -3.355 0.579 4.222) 5.424 5.978 ( 0.955 0.623 -2.568) 2.809 5.993 ( -1.646 0.856 2.565) 3.166 6.749 ( -5.472 0.090 5.513) 7.769 6.756 ( 4.885 0.159 -6.044) 7.773 7.738 ( -3.322 1.536 3.220) 4.875 7.772 ( 3.946 1.696 -0.826) 4.374 8.141 ( -2.120 -1.907 1.743) 3.342 8.156 ( 2.615 -2.296 -1.865) 3.949 8.696 ( -5.460 2.229 -3.753) 6.990 8.842 ( 4.139 5.448 4.016) 7.933 10.029 ( -0.120 0.248 -0.875) 0.918 10.046 ( 0.354 0.411 0.991) 1.130 10.159 ( -1.698 -0.001 1.471) 2.246 10.164 ( 1.338 -0.235 -1.518) 2.037 13.129 ( 1.757 0.194 -5.448) 5.728 13.176 ( -2.063 0.104 5.497) 5.872 13.536 ( -4.743 0.558 0.657) 4.821 13.609 ( 5.550 0.555 -1.730) 5.840 13.998 ( -3.976 -1.981 3.734) 5.803 14.026 ( 2.847 -1.310 -0.472) 3.169 14.504 ( -11.223 5.016 -1.995) 12.454 14.721 ( 10.949 10.229 0.930) 15.013 16.241 ( -1.740 0.709 -1.090) 2.172 16.289 ( 2.344 -0.011 0.437) 2.384 16.428 ( -5.499 -6.576 0.808) 8.610 16.518 ( 4.986 -7.701 0.191) 9.176 ======================= Grid point 152 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 0.753 -0.914 -4.983) 5.122 0.660 ( 3.508 -1.758 -2.645) 4.732 0.680 ( -0.967 0.244 2.994) 3.156 0.725 ( 0.613 -2.127 0.329) 2.238 0.860 ( 4.050 -2.342 -3.397) 5.782 0.878 ( -1.490 -2.422 4.676) 5.473 1.340 ( 4.529 2.862 -7.757) 9.427 1.396 ( -1.709 1.014 1.486) 2.481 1.426 ( 3.146 2.709 -3.257) 5.277 1.442 ( -4.257 1.059 7.797) 8.946 1.727 ( 0.380 -0.361 -0.347) 0.629 1.764 ( 0.510 -0.853 1.209) 1.565 1.857 ( 0.083 0.161 -0.100) 0.207 1.894 ( 1.460 0.922 -0.359) 1.764 2.187 ( 0.952 0.287 -1.967) 2.204 2.213 ( -1.379 1.207 2.220) 2.879 2.300 ( -1.946 1.128 0.971) 2.450 2.319 ( -0.841 1.264 0.844) 1.737 2.619 ( 4.939 0.812 -6.448) 8.162 2.654 ( -4.361 1.660 6.460) 7.969 2.951 ( 3.049 -0.460 -3.633) 4.766 2.971 ( -2.708 0.441 4.140) 4.966 3.092 ( -0.792 -0.579 0.271) 1.018 3.128 ( 1.458 -0.829 -0.642) 1.795 3.336 ( -1.707 -0.036 1.715) 2.420 3.358 ( 1.874 0.341 -1.324) 2.319 3.648 ( -3.993 -0.372 4.754) 6.220 3.659 ( 4.422 -0.021 -4.977) 6.657 4.013 ( 2.969 -2.218 -4.209) 5.608 4.040 ( -2.962 -2.298 4.216) 5.642 4.388 ( -4.994 0.726 5.093) 7.170 4.406 ( 3.574 1.015 -4.448) 5.796 4.625 ( -5.069 0.150 5.329) 7.356 4.695 ( 6.776 1.990 -5.325) 8.845 4.856 ( 0.675 -0.440 -0.100) 0.812 4.867 ( 0.064 -0.002 0.721) 0.724 5.092 ( 0.802 -0.849 -0.306) 1.207 5.121 ( 0.393 -0.578 0.910) 1.148 5.320 ( 1.725 -0.363 -3.052) 3.525 5.331 ( -2.527 0.409 2.798) 3.793 5.963 ( -0.086 0.182 -0.611) 0.643 5.981 ( -0.455 0.691 0.652) 1.053 6.740 ( -5.485 0.004 5.669) 7.888 6.750 ( 4.774 0.270 -6.336) 7.938 7.705 ( -2.248 1.882 3.057) 4.236 7.763 ( 2.988 2.122 -0.473) 3.695 8.170 ( -0.648 -1.770 0.114) 1.888 8.217 ( 2.142 -2.899 -0.061) 3.604 8.606 ( -2.725 1.548 -2.653) 4.106 8.755 ( -0.343 7.284 1.048) 7.367 10.018 ( -0.195 0.291 -0.464) 0.582 10.047 ( 0.499 0.436 0.448) 0.800 10.153 ( -1.567 0.092 1.114) 1.925 10.168 ( 0.871 -0.127 -0.940) 1.288 13.104 ( 0.951 0.312 -3.471) 3.612 13.191 ( -1.505 0.189 3.731) 4.028 13.494 ( -3.111 0.691 0.198) 3.193 13.628 ( 4.304 0.708 -1.360) 4.569 14.044 ( -1.602 -2.926 2.727) 4.308 14.076 ( -0.423 -2.668 3.013) 4.046 14.335 ( -6.999 4.275 -0.460) 8.214 14.563 ( 7.528 13.233 -5.975) 16.355 16.212 ( -2.130 0.180 -0.391) 2.173 16.315 ( 2.125 -0.762 -0.700) 2.363 16.501 ( -3.507 -5.089 0.767) 6.228 16.703 ( 2.738 -7.018 3.024) 8.118 ======================= Grid point 153 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 1.395 -2.272 -2.351) 3.554 0.656 ( -1.371 0.961 1.004) 1.953 0.713 ( 1.791 -0.992 -0.621) 2.139 0.755 ( 0.047 -0.822 -0.232) 0.856 0.901 ( 3.800 -1.774 -4.577) 6.208 0.919 ( -2.827 -0.121 5.262) 5.974 1.275 ( 0.840 2.206 -1.686) 2.901 1.366 ( -0.868 1.782 1.415) 2.435 1.402 ( 3.782 0.233 -4.590) 5.952 1.456 ( -2.600 -0.288 3.891) 4.688 1.729 ( -0.099 -0.008 0.005) 0.100 1.780 ( 0.085 -0.208 0.370) 0.433 1.868 ( 0.593 -0.620 0.439) 0.964 1.884 ( 0.580 0.793 -0.573) 1.138 2.188 ( 0.803 -0.409 -0.876) 1.257 2.200 ( -0.862 0.590 1.262) 1.639 2.273 ( -1.401 0.745 0.815) 1.784 2.300 ( -0.075 0.536 -0.134) 0.558 2.610 ( 3.235 0.188 -3.842) 5.026 2.637 ( -2.842 0.795 3.850) 4.851 2.959 ( 2.448 -0.170 -2.676) 3.631 2.968 ( -2.281 0.177 2.923) 3.712 3.098 ( -0.248 -0.333 0.019) 0.416 3.142 ( 0.496 -0.258 -0.238) 0.608 3.335 ( -0.667 0.009 0.660) 0.938 3.358 ( 0.716 0.124 -0.512) 0.889 3.656 ( -2.306 -0.356 2.846) 3.680 3.663 ( 2.515 -0.097 -2.900) 3.840 4.041 ( 1.568 -1.134 -2.055) 2.823 4.072 ( -1.556 -0.924 2.070) 2.749 4.374 ( -3.082 0.233 3.320) 4.536 4.388 ( 2.390 0.744 -3.099) 3.984 4.622 ( -2.916 -0.090 3.400) 4.480 4.678 ( 3.542 1.105 -3.525) 5.118 4.866 ( 0.104 -0.142 0.270) 0.323 4.873 ( 0.232 -0.133 0.067) 0.275 5.117 ( 1.343 -0.964 -0.458) 1.715 5.131 ( -0.646 0.188 1.025) 1.226 5.323 ( 2.245 0.014 -3.159) 3.876 5.326 ( -2.603 -0.296 2.935) 3.934 5.961 ( -0.339 -0.105 0.308) 0.470 5.973 ( 0.180 0.227 -0.221) 0.364 6.737 ( -4.741 -0.136 5.449) 7.224 6.742 ( 4.421 0.253 -5.752) 7.260 7.684 ( -0.804 0.818 1.375) 1.791 7.749 ( 1.151 0.966 -0.312) 1.535 8.187 ( -0.182 -0.618 -0.062) 0.647 8.275 ( 1.398 -1.467 0.141) 2.031 8.564 ( -0.305 0.231 -1.532) 1.579 8.647 ( -1.701 3.496 0.380) 3.906 10.011 ( -0.100 0.134 -0.146) 0.222 10.047 ( 0.268 0.149 0.105) 0.324 10.147 ( -0.688 0.058 0.441) 0.819 10.169 ( 0.287 0.001 -0.336) 0.442 13.089 ( 0.257 0.162 -1.155) 1.194 13.196 ( -0.561 0.119 1.290) 1.412 13.468 ( -1.073 0.302 0.057) 1.116 13.638 ( 1.670 0.320 -0.500) 1.773 14.081 ( 0.815 -0.742 -0.304) 1.144 14.172 ( -4.185 -5.943 7.592) 10.511 14.243 ( -1.963 1.505 -0.517) 2.527 14.361 ( 4.789 9.628 -7.614) 13.176 16.195 ( -0.958 0.043 -0.084) 0.962 16.335 ( 0.815 -0.431 -0.473) 1.036 16.547 ( -1.125 -1.849 0.313) 2.187 16.815 ( 0.666 -2.275 1.601) 2.860 ======================= Grid point 158 (77/88) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 8.724 0.000 -10.371) 13.552 0.574 ( 1.504 0.000 -3.504) 3.813 0.671 ( -8.832 -0.000 11.069) 14.161 0.724 ( 6.287 0.000 -0.944) 6.358 0.775 ( -4.094 -0.000 7.694) 8.716 0.825 ( 6.822 0.000 -5.690) 8.883 1.352 ( 12.843 0.000 -16.974) 21.285 1.393 ( -11.472 -0.000 14.379) 18.394 1.497 ( 0.323 0.000 -1.589) 1.621 1.522 ( -0.711 -0.000 1.631) 1.779 1.725 ( 1.605 0.000 -0.002) 1.605 1.735 ( 0.911 0.000 1.245) 1.543 1.869 ( -0.126 -0.000 -0.379) 0.399 1.913 ( 1.400 0.000 0.027) 1.400 2.200 ( 2.364 0.000 -4.863) 5.407 2.240 ( -3.082 -0.000 3.961) 5.019 2.329 ( 0.846 0.000 -2.421) 2.564 2.350 ( -5.089 -0.000 5.571) 7.545 2.639 ( 3.937 0.000 -6.029) 7.201 2.695 ( -3.996 -0.000 5.965) 7.180 2.942 ( 2.575 0.000 -3.582) 4.412 2.983 ( -2.202 -0.000 4.023) 4.586 3.087 ( -4.197 -0.000 5.959) 7.288 3.099 ( 5.319 0.000 -5.616) 7.735 3.336 ( -2.294 -0.000 2.663) 3.515 3.368 ( 3.002 0.000 -1.920) 3.564 3.645 ( -4.540 -0.000 5.092) 6.822 3.669 ( 5.152 0.000 -5.466) 7.511 3.958 ( 3.303 0.000 -4.201) 5.344 3.979 ( -3.081 -0.000 4.156) 5.174 4.408 ( -5.973 -0.000 6.351) 8.718 4.425 ( 4.106 0.000 -5.167) 6.600 4.630 ( -5.039 -0.000 5.219) 7.255 4.743 ( 7.160 0.000 -3.731) 8.073 4.846 ( 1.561 0.000 -1.411) 2.104 4.872 ( -0.319 -0.000 1.484) 1.518 5.079 ( -1.313 -0.000 2.147) 2.517 5.101 ( 2.070 0.000 -1.673) 2.662 5.332 ( 4.651 0.000 -7.047) 8.444 5.343 ( -6.151 -0.000 6.702) 9.097 5.973 ( 1.354 0.000 -3.284) 3.552 6.003 ( -3.068 -0.000 3.321) 4.521 6.740 ( -5.697 -0.000 5.390) 7.842 6.755 ( 4.648 0.000 -6.392) 7.903 7.755 ( -2.709 -0.000 4.543) 5.289 7.826 ( 3.838 0.000 1.564) 4.144 8.117 ( -3.301 -0.000 3.403) 4.741 8.140 ( 3.872 0.000 -3.882) 5.482 8.642 ( -5.560 -0.000 -3.094) 6.363 8.955 ( 1.307 0.000 3.347) 3.593 10.025 ( 0.280 0.000 -1.185) 1.218 10.062 ( -0.003 -0.000 1.745) 1.745 10.155 ( -1.789 -0.000 1.488) 2.327 10.159 ( 1.250 0.000 -1.866) 2.246 13.111 ( 2.681 0.000 -5.381) 6.012 13.192 ( -3.141 -0.000 5.341) 6.197 13.511 ( -3.797 -0.000 1.405) 4.049 13.646 ( 6.239 0.000 -3.194) 7.009 13.973 ( -4.638 -0.000 5.056) 6.861 14.043 ( 2.647 0.000 1.682) 3.136 14.432 ( -10.943 -0.000 -2.524) 11.230 14.931 ( 6.579 0.000 3.520) 7.462 16.248 ( -0.197 -0.000 -1.895) 1.905 16.306 ( 1.054 0.000 0.708) 1.270 16.314 ( -2.314 -0.000 -0.297) 2.333 16.469 ( 3.794 0.000 -1.130) 3.958 ======================= Grid point 159 (78/88) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 3.091 2.440 -4.423) 5.922 0.634 ( 8.188 -2.779 -8.472) 12.106 0.682 ( -7.417 -1.716 7.699) 10.827 0.729 ( 1.819 2.475 2.317) 3.847 0.844 ( 3.612 -1.818 -0.218) 4.050 0.852 ( 1.464 -2.331 0.490) 2.796 1.349 ( 12.661 -0.119 -15.646) 20.127 1.403 ( -10.297 -0.503 12.892) 16.507 1.460 ( 1.056 2.673 -2.334) 3.702 1.502 ( -1.564 2.575 2.068) 3.654 1.735 ( 1.430 0.320 0.292) 1.494 1.764 ( 1.171 -0.858 0.917) 1.717 1.864 ( 0.722 0.424 -0.380) 0.920 1.918 ( 0.953 0.663 0.016) 1.161 2.186 ( 1.888 0.213 -3.331) 3.835 2.233 ( -2.507 0.723 2.838) 3.855 2.307 ( -1.227 1.001 -0.292) 1.611 2.334 ( -3.919 0.839 3.426) 5.273 2.630 ( 4.803 0.489 -5.865) 7.597 2.687 ( -4.483 1.267 5.640) 7.315 2.946 ( 2.879 -0.307 -2.673) 3.940 2.987 ( -2.354 0.496 3.778) 4.479 3.087 ( -1.430 0.237 1.927) 2.411 3.116 ( 2.203 -1.024 -2.251) 3.312 3.337 ( -1.937 0.093 2.766) 3.378 3.374 ( 2.703 0.533 -2.000) 3.405 3.643 ( -4.267 -0.105 5.161) 6.697 3.666 ( 4.908 0.585 -5.754) 7.585 3.975 ( 3.064 -1.715 -3.586) 5.019 4.001 ( -3.086 -2.145 3.743) 5.304 4.396 ( -5.699 0.755 6.235) 8.481 4.418 ( 3.684 0.546 -5.006) 6.239 4.627 ( -4.467 0.184 5.878) 7.385 4.749 ( 5.392 1.791 -5.128) 7.654 4.858 ( 2.315 -0.319 -1.075) 2.572 4.875 ( -0.377 0.274 1.106) 1.200 5.091 ( 0.468 -0.304 1.362) 1.472 5.115 ( 0.839 -0.872 -0.146) 1.220 5.313 ( 2.449 0.479 -4.272) 4.947 5.336 ( -3.929 0.249 3.982) 5.600 5.961 ( 0.823 0.179 -1.926) 2.102 5.991 ( -2.306 0.585 1.946) 3.074 6.731 ( -5.677 -0.119 5.595) 7.972 6.747 ( 4.631 0.081 -6.676) 8.126 7.752 ( -1.865 1.924 5.100) 5.761 7.838 ( 2.854 3.222 1.669) 4.616 8.134 ( -1.217 -1.889 1.383) 2.638 8.177 ( 2.467 -3.175 -1.292) 4.223 8.578 ( -3.977 0.446 -1.888) 4.425 8.877 ( -2.954 7.429 -2.476) 8.369 10.018 ( 0.409 0.182 -1.006) 1.101 10.064 ( -0.389 0.748 1.166) 1.439 10.149 ( -1.626 0.057 1.359) 2.120 10.162 ( 0.813 -0.478 -1.287) 1.596 13.099 ( 2.647 0.295 -3.982) 4.791 13.198 ( -3.394 -0.066 4.109) 5.330 13.494 ( -2.074 0.812 2.666) 3.474 13.666 ( 5.605 0.813 -3.787) 6.814 13.997 ( -4.218 -2.663 6.137) 7.909 14.083 ( 2.302 -0.174 2.764) 3.602 14.317 ( -8.484 1.837 -0.874) 8.724 14.819 ( 2.992 14.072 -6.228) 15.676 16.206 ( -0.703 1.028 -0.738) 1.447 16.305 ( -0.981 -0.250 0.259) 1.045 16.403 ( 1.120 -5.726 1.519) 6.029 16.584 ( 1.849 -9.313 0.647) 9.517 ======================= Grid point 160 (79/88) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 4.381 -1.273 -2.395) 5.152 0.666 ( 2.322 -0.105 -2.145) 3.163 0.706 ( -2.007 -2.246 -0.589) 3.069 0.726 ( -0.322 0.649 3.466) 3.541 0.873 ( 4.768 -1.176 -5.554) 7.414 0.916 ( -2.206 -1.567 4.505) 5.255 1.332 ( 6.144 2.963 -6.336) 9.310 1.397 ( -0.779 1.140 1.432) 1.989 1.421 ( 3.058 1.798 -4.711) 5.897 1.456 ( -6.382 1.104 6.913) 9.472 1.740 ( 0.799 0.538 0.717) 1.201 1.783 ( 0.839 -0.068 -0.035) 0.842 1.870 ( 1.142 -0.208 0.026) 1.161 1.905 ( 0.180 1.325 -0.067) 1.339 2.184 ( 1.547 -0.221 -1.398) 2.097 2.216 ( -1.528 1.017 1.729) 2.521 2.280 ( -1.484 0.738 0.594) 1.761 2.309 ( -2.161 0.873 1.406) 2.722 2.622 ( 5.238 0.741 -5.579) 7.688 2.661 ( -4.657 1.590 5.562) 7.426 2.959 ( 2.973 -0.252 -2.725) 4.041 2.978 ( -2.753 0.820 3.475) 4.509 3.089 ( -0.953 -0.432 1.326) 1.689 3.132 ( 1.212 -0.792 -2.111) 2.560 3.338 ( -1.207 0.191 2.219) 2.533 3.370 ( 1.797 0.685 -1.573) 2.485 3.649 ( -3.948 -0.413 4.884) 6.293 3.661 ( 4.321 -0.036 -5.391) 6.909 4.011 ( 2.797 -2.132 -3.107) 4.693 4.041 ( -2.927 -2.366 3.123) 4.890 4.379 ( -4.679 0.642 5.400) 7.174 4.400 ( 3.252 0.905 -4.626) 5.727 4.628 ( -4.085 0.389 6.223) 7.454 4.714 ( 4.957 2.325 -6.203) 8.274 4.871 ( 1.171 0.058 -0.368) 1.229 4.875 ( -0.117 0.079 0.534) 0.552 5.113 ( 1.298 -0.630 0.247) 1.464 5.133 ( -0.424 -0.351 0.809) 0.979 5.310 ( 2.482 -0.741 -3.418) 4.288 5.326 ( -3.291 0.231 3.566) 4.858 5.959 ( 0.274 -0.180 -0.257) 0.416 5.978 ( -0.800 0.356 0.485) 1.001 6.728 ( -5.448 -0.393 5.969) 8.091 6.739 ( 4.788 0.012 -6.701) 8.236 7.730 ( -1.017 2.868 4.231) 5.211 7.799 ( 1.732 3.691 -0.281) 4.087 8.169 ( 0.459 -1.658 0.037) 1.721 8.248 ( 1.185 -2.942 0.024) 3.172 8.543 ( -1.852 -0.478 -0.790) 2.070 8.696 ( -3.552 5.582 -4.217) 7.846 10.013 ( 0.506 0.197 -0.654) 0.851 10.053 ( -0.747 0.509 0.482) 1.024 10.146 ( -0.727 0.008 0.857) 1.124 10.166 ( 0.189 -0.249 -0.563) 0.644 13.092 ( 1.930 0.327 -1.804) 2.662 13.194 ( -2.687 -0.051 1.865) 3.271 13.485 ( -0.300 1.272 3.120) 3.383 13.659 ( 2.872 1.307 -3.205) 4.498 14.072 ( -2.673 -3.852 6.282) 7.839 14.118 ( 1.255 -0.391 2.131) 2.504 14.235 ( -5.501 0.883 1.679) 5.819 14.532 ( 3.970 12.978 -12.253) 18.284 16.193 ( -0.009 0.152 0.329) 0.363 16.311 ( -1.999 -1.327 0.551) 2.462 16.508 ( 2.745 -3.727 0.357) 4.643 16.741 ( -2.147 -6.708 1.441) 7.189 ======================= Grid point 161 (80/88) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 4.883 -1.279 -0.488) 5.071 0.656 ( -1.852 0.871 2.798) 3.467 0.717 ( -3.899 -0.418 2.962) 4.915 0.734 ( 1.691 -0.787 -3.743) 4.182 0.892 ( 3.861 -1.208 -5.492) 6.822 0.924 ( -3.556 0.615 3.125) 4.774 1.289 ( 2.620 2.379 -0.722) 3.612 1.358 ( -2.090 1.900 1.076) 3.022 1.405 ( 3.758 0.077 -4.037) 5.515 1.448 ( -3.693 -0.247 2.732) 4.601 1.742 ( 0.578 0.581 1.081) 1.357 1.784 ( 0.711 0.364 -0.992) 1.274 1.877 ( -0.017 0.626 -0.308) 0.698 1.879 ( -0.573 0.768 0.418) 1.046 2.192 ( 1.569 0.028 -1.548) 2.204 2.200 ( -1.587 0.645 1.785) 2.474 2.271 ( 1.502 -0.138 -1.260) 1.965 2.295 ( -1.938 -0.026 1.796) 2.642 2.615 ( 2.874 0.586 -2.863) 4.098 2.636 ( -2.796 0.970 2.889) 4.136 2.962 ( 0.405 0.297 -0.402) 0.643 2.967 ( -0.565 0.218 0.439) 0.748 3.100 ( -0.606 -0.386 1.404) 1.577 3.135 ( 0.442 -0.391 -1.788) 1.883 3.340 ( -0.154 0.250 1.106) 1.145 3.361 ( 0.519 0.513 -0.675) 0.994 3.656 ( -2.495 -0.294 3.019) 3.927 3.661 ( 2.474 -0.090 -3.298) 4.123 4.045 ( 1.223 -1.071 -0.937) 1.876 4.067 ( -1.254 -1.037 0.800) 1.813 4.373 ( -2.462 -0.061 3.222) 4.055 4.384 ( 2.180 0.338 -2.959) 3.691 4.631 ( -1.943 0.402 3.712) 4.209 4.676 ( 2.273 1.397 -3.697) 4.559 4.871 ( 0.086 0.418 0.171) 0.460 4.875 ( 0.078 0.235 -0.100) 0.267 5.127 ( -0.978 0.748 0.712) 1.422 5.128 ( 0.767 -0.060 -0.764) 1.084 5.322 ( 4.288 -0.468 -4.912) 6.537 5.327 ( -4.291 -0.368 5.477) 6.967 5.963 ( 0.213 -0.060 0.100) 0.242 5.972 ( -0.204 0.088 0.063) 0.230 6.734 ( -4.394 -0.540 5.304) 6.909 6.737 ( 4.293 -0.249 -5.469) 6.958 7.701 ( 0.361 2.151 1.479) 2.635 7.751 ( -0.198 2.000 -0.563) 2.087 8.194 ( 1.090 -0.452 0.075) 1.182 8.273 ( -1.177 -0.069 -0.755) 1.400 8.555 ( -0.050 -1.726 0.581) 1.822 8.610 ( -1.127 -0.433 -1.712) 2.095 10.012 ( 0.683 0.014 -0.339) 0.762 10.042 ( -1.100 0.147 0.261) 1.140 10.149 ( 0.497 -0.102 0.059) 0.511 10.167 ( -0.332 -0.123 0.073) 0.361 13.098 ( 1.274 0.018 0.519) 1.376 13.183 ( -1.504 -0.192 -0.593) 1.628 13.491 ( 1.505 0.828 2.463) 3.003 13.628 ( -0.646 0.995 -2.123) 2.432 14.112 ( 0.930 1.532 2.531) 3.101 14.191 ( -4.782 -4.578 5.927) 8.885 14.222 ( -0.322 -1.673 0.390) 1.748 14.308 ( 3.713 6.525 -9.722) 12.283 16.205 ( 1.756 -0.361 0.522) 1.867 16.316 ( -3.250 -0.978 0.907) 3.513 16.580 ( 4.504 -0.888 0.003) 4.591 16.789 ( -3.908 -1.842 -0.967) 4.427 ======================= Grid point 162 (81/88) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 1.810 2.731 4.060) 5.218 0.667 ( -1.377 0.748 -1.345) 2.065 0.686 ( -0.056 0.695 1.073) 1.280 0.728 ( -1.618 -0.075 -1.494) 2.204 0.892 ( -2.033 1.222 1.652) 2.891 0.893 ( 1.534 1.472 -2.982) 3.662 1.305 ( 1.415 -2.088 1.489) 2.929 1.347 ( -1.644 -2.357 -0.477) 2.913 1.407 ( -2.316 0.340 3.883) 4.534 1.432 ( 1.891 0.417 -4.558) 4.952 1.743 ( 0.416 0.749 1.180) 1.459 1.768 ( 0.009 0.843 -1.504) 1.724 1.859 ( 0.551 0.387 -0.358) 0.762 1.873 ( -1.535 -0.192 0.590) 1.656 2.190 ( -0.056 0.126 0.383) 0.407 2.195 ( 0.150 -0.320 -0.584) 0.683 2.289 ( 2.706 -0.975 -2.146) 3.588 2.300 ( -1.806 -0.814 1.837) 2.702 2.614 ( -3.313 -0.131 4.679) 5.734 2.626 ( 3.014 -0.455 -4.677) 5.583 2.957 ( -2.976 0.246 3.755) 4.797 2.963 ( 2.786 0.027 -3.923) 4.812 3.108 ( 0.175 0.266 0.956) 1.007 3.128 ( -0.467 0.205 -0.958) 1.085 3.342 ( 0.964 0.215 -0.381) 1.058 3.352 ( -0.838 0.242 0.458) 0.985 3.655 ( 2.312 0.298 -2.747) 3.603 3.658 ( -2.489 0.165 2.675) 3.658 4.049 ( -1.668 1.053 2.915) 3.520 4.063 ( 1.647 0.917 -2.984) 3.530 4.383 ( 3.247 -0.609 -3.322) 4.685 4.388 ( -2.811 -0.861 3.249) 4.382 4.634 ( 3.865 0.213 -3.249) 5.054 4.658 ( -4.274 -0.251 3.333) 5.426 4.863 ( 0.176 0.568 -0.189) 0.624 4.866 ( -0.354 0.470 -0.043) 0.590 5.108 ( -0.758 1.064 1.070) 1.688 5.119 ( 0.171 0.506 -1.428) 1.524 5.330 ( 3.316 -0.090 -3.613) 4.905 5.331 ( -3.036 0.175 3.992) 5.018 5.966 ( 0.658 -0.013 -0.324) 0.734 5.971 ( -0.521 -0.203 0.330) 0.650 6.742 ( 4.935 -0.334 -5.592) 7.466 6.745 ( -4.724 -0.515 5.764) 7.470 7.693 ( 2.054 0.045 -0.825) 2.214 7.723 ( -2.271 -0.125 0.365) 2.303 8.202 ( 1.438 0.934 0.088) 1.717 8.237 ( -2.260 1.593 -0.339) 2.786 8.603 ( 0.372 -2.516 2.985) 3.921 8.644 ( 0.510 -4.331 -2.642) 5.099 10.019 ( 0.751 -0.217 -0.035) 0.783 10.034 ( -1.012 -0.171 0.036) 1.027 10.157 ( 1.268 -0.111 -0.694) 1.450 10.166 ( -0.934 -0.075 0.678) 1.157 13.119 ( 0.526 -0.266 2.668) 2.732 13.168 ( -0.380 -0.321 -2.787) 2.831 13.517 ( 3.228 -0.060 1.319) 3.488 13.591 ( -3.313 0.028 -0.866) 3.425 14.092 ( -1.795 2.924 4.235) 5.450 14.130 ( 3.133 4.867 -7.001) 9.084 14.296 ( 4.162 -5.250 -0.515) 6.719 14.352 ( -5.288 -8.597 3.559) 10.702 16.236 ( 3.338 -0.194 0.291) 3.356 16.300 ( -4.040 -0.070 0.665) 4.095 16.611 ( 5.642 2.612 0.887) 6.280 16.732 ( -4.898 2.592 -2.703) 6.166 ======================= Grid point 163 (82/88) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 5.326 1.418 -9.972) 11.394 0.596 ( -5.326 1.418 9.972) 11.394 0.692 ( 4.630 1.298 -5.320) 7.171 0.692 ( -4.630 1.298 5.320) 7.171 0.851 ( 5.521 2.771 -6.842) 9.218 0.851 ( -5.521 2.771 6.842) 9.218 1.387 ( 2.910 -2.621 -7.659) 8.602 1.387 ( -2.910 -2.621 7.659) 8.602 1.413 ( 7.229 -1.416 -8.883) 11.540 1.413 ( -7.229 -1.416 8.883) 11.540 1.738 ( -0.181 1.104 -1.370) 1.769 1.738 ( 0.181 1.104 1.370) 1.769 1.871 ( -0.319 -0.668 -0.557) 0.926 1.871 ( 0.319 -0.668 0.557) 0.926 2.202 ( 2.587 -0.928 -3.887) 4.761 2.202 ( -2.587 -0.928 3.887) 4.761 2.315 ( 4.172 -1.204 -5.080) 6.683 2.315 ( -4.172 -1.204 5.080) 6.683 2.634 ( 5.296 -1.271 -7.793) 9.507 2.634 ( -5.296 -1.271 7.793) 9.507 2.958 ( 2.931 0.031 -4.469) 5.345 2.958 ( -2.931 0.031 4.469) 5.345 3.108 ( 4.360 0.786 -5.439) 7.015 3.108 ( -4.360 0.786 5.439) 7.015 3.345 ( 1.955 0.023 -1.787) 2.648 3.345 ( -1.955 0.023 1.787) 2.648 3.652 ( 4.401 0.166 -4.914) 6.599 3.652 ( -4.401 0.166 4.914) 6.599 4.026 ( 2.934 2.253 -4.717) 5.994 4.026 ( -2.934 2.253 4.717) 5.994 4.401 ( 4.457 -0.907 -4.637) 6.495 4.401 ( -4.457 -0.907 4.637) 6.495 4.651 ( 6.613 -0.631 -5.819) 8.831 4.651 ( -6.613 -0.631 5.819) 8.831 4.856 ( 0.927 0.286 -1.443) 1.738 4.856 ( -0.927 0.286 1.443) 1.738 5.099 ( 0.590 0.612 -1.757) 1.952 5.099 ( -0.590 0.612 1.757) 1.952 5.331 ( 4.728 -0.076 -5.939) 7.591 5.331 ( -4.728 -0.076 5.939) 7.591 5.975 ( 2.762 -0.581 -3.590) 4.567 5.975 ( -2.762 -0.581 3.590) 4.567 6.751 ( 5.211 -0.296 -5.892) 7.871 6.751 ( -5.211 -0.296 5.892) 7.871 7.721 ( 2.955 -1.523 -3.057) 4.517 7.721 ( -2.955 -1.523 3.057) 4.517 8.187 ( 3.892 2.197 -4.872) 6.612 8.187 ( -3.892 2.197 4.872) 6.612 8.697 ( -1.466 -4.488 -4.164) 6.296 8.697 ( 1.466 -4.488 4.164) 6.296 10.031 ( -0.240 -0.353 -0.601) 0.737 10.031 ( 0.240 -0.353 0.601) 0.737 10.163 ( 1.464 0.007 -1.217) 1.904 10.163 ( -1.464 0.007 1.217) 1.904 13.149 ( 3.290 -0.293 -6.766) 7.530 13.149 ( -3.290 -0.293 6.766) 7.530 13.561 ( -0.680 -0.641 -2.277) 2.461 13.561 ( 0.680 -0.641 2.277) 2.461 14.049 ( 3.328 2.966 -4.496) 6.331 14.049 ( -3.328 2.966 4.496) 6.331 14.467 ( -3.435 -8.889 -1.638) 9.669 14.467 ( 3.435 -8.889 1.638) 9.669 16.266 ( -2.680 0.257 -0.590) 2.756 16.266 ( 2.680 0.257 0.590) 2.756 16.592 ( -1.433 6.166 -4.386) 7.701 16.592 ( 1.433 6.166 4.386) 7.701 ======================= Grid point 167 (83/88) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 6.177 0.000 -7.389) 9.631 0.594 ( 2.476 0.000 0.182) 2.482 0.663 ( -4.657 -0.000 4.445) 6.438 0.792 ( 2.358 0.000 -1.615) 2.858 0.843 ( -2.488 -0.000 8.656) 9.006 0.855 ( 6.865 0.000 -5.515) 8.806 1.349 ( 14.830 0.000 -16.984) 22.547 1.398 ( -11.825 -0.000 14.707) 18.872 1.481 ( 1.207 0.000 -2.360) 2.651 1.521 ( -2.074 -0.000 1.452) 2.532 1.759 ( 1.647 0.000 0.569) 1.743 1.768 ( 1.357 0.000 0.559) 1.467 1.874 ( 1.446 0.000 -0.524) 1.538 1.929 ( 0.231 0.000 0.228) 0.325 2.181 ( 2.493 0.000 -3.640) 4.412 2.234 ( -3.139 -0.000 2.831) 4.228 2.306 ( -0.004 -0.000 -1.863) 1.863 2.324 ( -6.381 -0.000 4.772) 7.968 2.635 ( 5.031 0.000 -5.428) 7.401 2.695 ( -4.720 -0.000 4.859) 6.774 2.953 ( 2.778 0.000 -1.527) 3.170 2.997 ( -2.158 -0.000 3.281) 3.927 3.097 ( -5.122 -0.000 6.412) 8.207 3.103 ( 5.329 0.000 -6.812) 8.649 3.344 ( -1.987 -0.000 3.629) 4.138 3.388 ( 3.059 0.000 -2.831) 4.168 3.644 ( -4.221 -0.000 5.519) 6.948 3.674 ( 4.926 0.000 -6.086) 7.830 3.962 ( 2.634 0.000 -2.654) 3.740 3.978 ( -2.855 -0.000 3.106) 4.219 4.400 ( -5.652 -0.000 6.586) 8.679 4.418 ( 3.730 0.000 -5.263) 6.451 4.637 ( -4.170 -0.000 6.756) 7.939 4.762 ( 3.094 0.000 -5.346) 6.177 4.866 ( 2.974 0.000 -2.455) 3.856 4.880 ( -0.662 -0.000 0.874) 1.096 5.106 ( -0.436 -0.000 3.101) 3.132 5.110 ( 1.562 0.000 -1.374) 2.080 5.312 ( 4.706 0.000 -6.943) 8.387 5.327 ( -6.471 -0.000 6.527) 9.191 5.956 ( 1.375 0.000 -2.350) 2.722 5.987 ( -3.288 -0.000 2.383) 4.061 6.721 ( -5.636 -0.000 5.811) 8.095 6.740 ( 4.671 0.000 -6.933) 8.360 7.799 ( -0.659 -0.000 6.068) 6.104 7.917 ( 1.102 0.000 4.544) 4.676 8.114 ( -2.956 -0.000 3.842) 4.848 8.151 ( 3.882 0.000 -3.874) 5.484 8.537 ( -3.832 -0.000 -0.768) 3.908 8.865 ( -6.699 -0.000 -9.255) 11.425 10.018 ( 0.916 0.000 -1.224) 1.529 10.072 ( -1.756 -0.000 1.303) 2.187 10.147 ( -1.489 -0.000 1.524) 2.131 10.153 ( 1.069 0.000 -1.693) 2.002 13.101 ( 3.790 0.000 -4.163) 5.630 13.191 ( -4.614 -0.000 4.009) 6.112 13.522 ( -1.200 -0.000 6.616) 6.724 13.692 ( 6.738 0.000 -6.283) 9.213 13.981 ( -3.968 -0.000 6.671) 7.762 14.131 ( 3.519 0.000 2.958) 4.597 14.258 ( -8.962 -0.000 2.252) 9.241 14.894 ( -5.511 -0.000 -9.886) 11.318 16.213 ( 0.107 0.000 -0.684) 0.692 16.314 ( 0.123 0.000 -1.087) 1.094 16.366 ( 3.178 0.000 3.732) 4.902 16.500 ( 2.378 0.000 -1.666) 2.903 ======================= Grid point 168 (84/88) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 5.342 1.660 -2.865) 6.285 0.644 ( -7.129 -1.685 5.500) 9.160 0.668 ( 7.910 -1.126 -6.471) 10.282 0.768 ( -2.141 1.586 2.375) 3.569 0.868 ( 4.447 -0.019 -3.257) 5.512 0.902 ( -1.028 -1.482 3.470) 3.911 1.363 ( 14.099 -0.203 -15.115) 20.671 1.408 ( -11.811 -0.722 14.365) 18.611 1.449 ( 2.574 2.815 -3.410) 5.116 1.487 ( -2.911 2.616 1.407) 4.159 1.766 ( 1.356 0.663 0.571) 1.614 1.788 ( 0.764 -0.259 0.084) 0.812 1.882 ( 1.843 0.283 -0.404) 1.907 1.924 ( -0.611 0.764 0.338) 1.035 2.184 ( 2.604 -0.358 -2.348) 3.525 2.224 ( -2.554 0.275 2.094) 3.314 2.282 ( -1.393 0.688 0.196) 1.566 2.306 ( -3.546 0.106 1.775) 3.967 2.640 ( 5.332 0.379 -5.121) 7.403 2.680 ( -4.873 0.860 4.878) 6.948 2.967 ( 2.742 0.096 -1.533) 3.143 2.993 ( -2.392 0.720 2.964) 3.877 3.089 ( -1.452 0.227 1.956) 2.447 3.111 ( 1.448 -0.810 -2.854) 3.301 3.351 ( -1.640 0.305 3.575) 3.945 3.385 ( 2.503 0.651 -2.986) 3.951 3.647 ( -4.199 0.057 5.580) 6.983 3.664 ( 4.679 0.625 -6.133) 7.739 3.980 ( 2.499 -1.581 -2.540) 3.898 3.995 ( -2.839 -2.089 2.854) 4.535 4.392 ( -5.004 0.762 6.169) 7.980 4.408 ( 3.648 0.566 -5.274) 6.438 4.649 ( -3.825 0.320 7.269) 8.220 4.737 ( 3.346 1.119 -6.490) 7.387 4.873 ( 1.922 -0.269 -2.003) 2.789 4.880 ( -0.550 0.005 0.691) 0.883 5.117 ( 1.268 -0.341 -0.406) 1.374 5.125 ( -0.831 -0.568 1.575) 1.869 5.302 ( 3.125 0.081 -4.023) 5.095 5.321 ( -4.222 -0.154 3.929) 5.769 5.956 ( 1.221 -0.205 -1.353) 1.834 5.976 ( -2.220 0.046 1.533) 2.698 6.718 ( -5.431 -0.263 6.160) 8.216 6.732 ( 4.803 -0.061 -6.952) 8.450 7.813 ( -0.042 3.019 5.663) 6.417 7.894 ( 0.374 5.064 1.720) 5.361 8.142 ( -0.245 -2.125 1.689) 2.726 8.196 ( 1.129 -3.631 -0.819) 3.890 8.513 ( -2.894 -0.552 0.880) 3.075 8.693 ( -4.440 3.597 -11.539) 12.876 10.017 ( 1.170 0.162 -0.991) 1.542 10.056 ( -1.872 0.564 0.645) 2.059 10.146 ( -0.806 -0.060 1.130) 1.389 10.156 ( 0.433 -0.482 -0.989) 1.183 13.105 ( 3.675 0.257 -3.017) 4.762 13.177 ( -4.467 -0.120 2.761) 5.252 13.549 ( -0.783 1.898 7.821) 8.086 13.683 ( 4.838 1.548 -6.609) 8.335 14.026 ( -2.805 -2.998 6.593) 7.767 14.149 ( 3.488 0.275 -5.936) 6.890 14.234 ( -6.836 1.171 13.290) 14.991 14.657 ( -1.617 9.882 -16.002) 18.877 16.208 ( 0.874 0.744 0.767) 1.380 16.285 ( -1.515 0.488 -0.258) 1.612 16.469 ( 3.364 -4.315 1.566) 5.691 16.591 ( -1.354 -8.080 -0.216) 8.195 ======================= Grid point 169 (85/88) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 5.673 -1.901 -1.533) 6.177 0.640 ( -5.921 -1.830 2.464) 6.669 0.702 ( 6.814 0.242 -5.121) 8.527 0.743 ( -5.130 1.027 4.774) 7.083 0.882 ( 5.116 -0.082 -4.418) 6.760 0.914 ( -3.972 -0.085 2.883) 4.908 1.365 ( 5.841 3.159 -3.707) 7.605 1.402 ( -2.967 2.943 3.145) 5.231 1.409 ( 8.353 0.967 -10.454) 13.416 1.425 ( -10.281 -0.279 9.589) 14.062 1.768 ( 0.836 0.718 1.071) 1.537 1.788 ( 0.271 0.364 -0.839) 0.953 1.886 ( 1.009 0.547 -0.227) 1.170 1.899 ( -0.949 1.373 0.308) 1.697 2.197 ( 2.011 -0.032 -1.241) 2.363 2.211 ( -1.696 0.642 1.397) 2.289 2.273 ( 0.828 -0.034 -0.694) 1.081 2.288 ( -2.547 0.038 1.476) 2.944 2.637 ( 5.128 1.031 -4.940) 7.195 2.654 ( -4.887 1.343 4.957) 7.089 2.970 ( 2.796 0.476 -2.737) 3.942 2.976 ( -2.791 0.937 3.088) 4.267 3.097 ( -1.394 -0.567 2.664) 3.060 3.115 ( 1.343 -0.745 -3.148) 3.503 3.355 ( -0.936 0.463 2.562) 2.767 3.370 ( 1.336 0.701 -2.213) 2.679 3.651 ( -4.029 -0.247 5.163) 6.553 3.656 ( 4.147 -0.104 -5.469) 6.864 4.019 ( 2.537 -2.173 -2.327) 4.071 4.031 ( -2.655 -2.316 2.323) 4.220 4.381 ( -3.893 0.622 5.204) 6.528 4.390 ( 3.360 0.702 -4.858) 5.948 4.658 ( -3.493 0.949 6.997) 7.878 4.695 ( 3.692 1.670 -6.849) 7.958 4.878 ( 0.363 0.002 -0.275) 0.455 4.879 ( 0.047 0.204 0.065) 0.219 5.129 ( 0.924 -0.170 -0.662) 1.149 5.132 ( -0.926 -0.015 0.957) 1.331 5.311 ( 3.546 -0.859 -3.830) 5.290 5.319 ( -3.865 -0.466 4.088) 5.646 5.963 ( 0.756 -0.274 -0.430) 0.912 5.970 ( -0.939 -0.072 0.600) 1.117 6.724 ( -5.235 -0.546 6.403) 8.288 6.729 ( 5.017 -0.335 -6.698) 8.375 7.777 ( -0.399 4.294 3.769) 5.727 7.807 ( 0.670 4.887 -1.623) 5.193 8.192 ( 1.624 -1.584 1.058) 2.503 8.240 ( -1.313 -1.797 -1.220) 2.538 8.525 ( -0.845 -1.712 1.726) 2.574 8.575 ( -1.559 0.091 -5.036) 5.272 10.019 ( 1.307 0.179 -0.650) 1.470 10.037 ( -1.667 0.331 0.498) 1.771 10.151 ( 0.103 -0.207 0.504) 0.554 10.160 ( -0.160 -0.328 -0.375) 0.523 13.116 ( 2.864 0.083 -0.775) 2.969 13.159 ( -3.224 -0.147 0.650) 3.292 13.556 ( 0.525 2.296 5.730) 6.195 13.632 ( 0.882 2.194 -5.135) 5.653 14.112 ( -3.122 -4.167 6.270) 8.150 14.142 ( 3.938 -1.501 -6.390) 7.655 14.245 ( -5.100 3.272 13.953) 15.212 14.390 ( 2.790 8.311 -15.196) 17.543 16.220 ( 2.057 -0.246 0.893) 2.256 16.272 ( -2.995 -0.937 -0.016) 3.139 16.584 ( 5.231 -3.771 0.550) 6.472 16.682 ( -4.966 -5.285 -0.570) 7.274 ======================= Grid point 170 (86/88) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 2.734 -1.559 -2.811) 4.219 0.645 ( -2.734 -1.559 2.811) 4.219 0.705 ( 5.501 1.180 -7.405) 9.300 0.705 ( -5.501 1.180 7.405) 9.300 0.898 ( 5.087 -0.080 -4.558) 6.831 0.898 ( -5.087 -0.080 4.558) 6.831 1.329 ( 0.715 2.285 -1.616) 2.889 1.329 ( -0.715 2.285 1.616) 2.889 1.420 ( 12.500 -0.196 -14.879) 19.434 1.420 ( -12.500 -0.196 14.879) 19.434 1.770 ( 0.018 0.719 -1.734) 1.877 1.770 ( -0.018 0.719 1.734) 1.877 1.874 ( 0.778 0.974 -0.724) 1.442 1.874 ( -0.778 0.974 0.724) 1.442 2.196 ( 2.316 0.513 -2.573) 3.500 2.196 ( -2.316 0.513 2.573) 3.500 2.284 ( 4.955 -0.508 -5.630) 7.517 2.284 ( -4.955 -0.508 5.630) 7.517 2.626 ( 6.747 0.934 -7.962) 10.478 2.626 ( -6.747 0.934 7.962) 10.478 2.964 ( 2.884 0.387 -3.584) 4.616 2.964 ( -2.884 0.387 3.584) 4.616 3.115 ( 4.163 -0.423 -5.715) 7.083 3.115 ( -4.163 -0.423 5.715) 7.083 3.355 ( 1.675 0.501 -2.503) 3.053 3.355 ( -1.675 0.501 2.503) 3.053 3.657 ( 3.904 -0.169 -4.902) 6.269 3.657 ( -3.904 -0.169 4.902) 6.269 4.055 ( 2.051 -1.058 -2.503) 3.404 4.055 ( -2.051 -1.058 2.503) 3.404 4.379 ( 3.003 -0.032 -4.010) 5.010 4.379 ( -3.003 -0.032 4.010) 5.010 4.655 ( 6.451 1.056 -8.794) 10.957 4.655 ( -6.451 1.056 8.794) 10.957 4.874 ( 0.484 0.509 -0.644) 0.953 4.874 ( -0.484 0.509 0.644) 0.953 5.125 ( 0.650 0.659 -1.008) 1.368 5.125 ( -0.650 0.659 1.008) 1.368 5.328 ( 4.584 -0.583 -5.303) 7.034 5.328 ( -4.584 -0.583 5.303) 7.034 5.968 ( 2.963 -0.007 -3.591) 4.655 5.968 ( -2.963 -0.007 3.591) 4.655 6.735 ( 5.198 -0.595 -6.374) 8.246 6.735 ( -5.198 -0.595 6.374) 8.246 7.730 ( 2.263 2.665 -3.676) 5.073 7.730 ( -2.263 2.665 3.676) 5.073 8.229 ( 3.856 0.055 -5.875) 7.027 8.229 ( -3.856 0.055 5.875) 7.027 8.574 ( 2.854 -2.535 -4.588) 5.969 8.574 ( -2.854 -2.535 4.588) 5.969 10.024 ( 0.612 0.033 -0.866) 1.061 10.024 ( -0.612 0.033 0.866) 1.061 10.160 ( 0.866 -0.180 -1.114) 1.423 10.160 ( -0.866 -0.180 1.114) 1.423 13.139 ( 3.958 -0.212 -6.192) 7.352 13.139 ( -3.958 -0.212 6.192) 7.352 13.565 ( 0.820 1.272 -5.351) 5.561 13.565 ( -0.820 1.272 5.351) 5.561 14.168 ( -3.171 0.897 0.302) 3.309 14.168 ( 3.171 0.897 -0.302) 3.309 14.243 ( 3.940 -0.669 -7.344) 8.361 14.243 ( -3.940 -0.669 7.344) 8.361 16.259 ( -3.686 -0.784 -0.172) 3.773 16.259 ( 3.686 -0.784 0.172) 3.773 16.683 ( -2.355 -1.148 -3.704) 4.537 16.683 ( 2.355 -1.148 3.704) 4.537 ======================= Grid point 176 (87/88) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 9.337 0.000 -9.078) 13.023 0.612 ( -12.186 -0.000 12.820) 17.688 0.684 ( 8.322 0.000 -4.713) 9.564 0.760 ( -3.245 -0.000 -0.746) 3.330 0.895 ( 7.003 0.000 -6.484) 9.544 0.898 ( -5.039 -0.000 8.027) 9.477 1.373 ( 15.178 0.000 -16.322) 22.289 1.396 ( -13.732 -0.000 15.780) 20.919 1.479 ( 2.251 0.000 -2.055) 3.048 1.498 ( -2.472 -0.000 1.113) 2.711 1.786 ( 0.560 0.000 0.529) 0.770 1.789 ( 0.754 0.000 -0.164) 0.772 1.899 ( 2.309 0.000 -0.680) 2.407 1.924 ( -1.491 -0.000 0.556) 1.591 2.188 ( 3.443 0.000 -2.609) 4.320 2.215 ( -3.479 -0.000 2.329) 4.187 2.282 ( 1.050 0.000 -2.465) 2.679 2.285 ( -4.386 -0.000 3.478) 5.598 2.653 ( 5.425 0.000 -4.868) 7.288 2.677 ( -5.136 -0.000 4.632) 6.916 2.982 ( 2.465 0.000 -1.046) 2.677 2.999 ( -2.177 -0.000 2.191) 3.089 3.093 ( -5.624 -0.000 6.452) 8.559 3.095 ( 5.429 0.000 -7.155) 8.982 3.367 ( -2.079 -0.000 4.424) 4.888 3.388 ( 2.626 0.000 -4.076) 4.848 3.654 ( -4.170 -0.000 6.012) 7.317 3.667 ( 4.472 0.000 -6.242) 7.679 3.968 ( 2.086 0.000 -2.219) 3.045 3.973 ( -2.379 -0.000 2.522) 3.467 4.400 ( -4.801 -0.000 6.135) 7.790 4.408 ( 4.044 0.000 -5.606) 6.913 4.673 ( -3.706 -0.000 7.891) 8.718 4.723 ( 2.998 0.000 -7.287) 7.880 4.871 ( 2.173 0.000 -2.496) 3.309 4.876 ( -1.387 -0.000 1.195) 1.831 5.117 ( 1.472 0.000 -1.198) 1.898 5.124 ( -1.443 -0.000 1.704) 2.233 5.303 ( 5.487 0.000 -6.684) 8.648 5.310 ( -6.180 -0.000 6.528) 8.989 5.955 ( 1.827 0.000 -1.755) 2.533 5.967 ( -2.512 -0.000 1.891) 3.144 6.715 ( -5.267 -0.000 6.534) 8.393 6.723 ( 4.925 0.000 -7.008) 8.565 7.892 ( 2.143 0.000 4.680) 5.148 7.957 ( -2.340 -0.000 1.920) 3.027 8.127 ( -2.876 -0.000 5.332) 6.058 8.154 ( 3.063 0.000 -4.750) 5.652 8.498 ( -2.859 -0.000 3.996) 4.913 8.600 ( -1.643 -0.000 -13.685) 13.783 10.024 ( 1.685 0.000 -0.962) 1.940 10.047 ( -2.288 -0.000 0.626) 2.373 10.147 ( -1.121 -0.000 1.504) 1.876 10.149 ( 1.028 0.000 -1.484) 1.805 13.119 ( 4.841 0.000 -3.733) 6.113 13.157 ( -5.323 -0.000 3.454) 6.345 13.620 ( -3.109 -0.000 10.977) 11.409 13.689 ( 5.952 0.000 -9.780) 11.448 14.027 ( -1.713 -0.000 6.897) 7.107 14.109 ( 0.083 0.000 -6.931) 6.932 14.330 ( -1.574 -0.000 17.284) 17.356 14.596 ( -3.259 -0.000 -18.641) 18.924 16.235 ( 1.374 0.000 1.460) 2.005 16.283 ( -1.032 -0.000 -2.044) 2.290 16.459 ( 0.690 0.000 4.166) 4.223 16.501 ( 1.143 0.000 -2.695) 2.927 ======================= Grid point 177 (88/88) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 9.494 0.096 -10.283) 13.996 0.591 ( -9.494 0.096 10.283) 13.996 0.727 ( 5.630 -0.255 -3.479) 6.623 0.727 ( -5.630 -0.255 3.479) 6.623 0.902 ( 5.419 0.184 -6.106) 8.166 0.902 ( -5.419 0.184 6.106) 8.166 1.394 ( 14.489 -0.759 -15.563) 21.277 1.394 ( -14.489 -0.759 15.563) 21.277 1.458 ( 2.411 3.096 -1.779) 4.308 1.458 ( -2.411 3.096 1.779) 4.308 1.789 ( -0.020 0.311 -0.680) 0.749 1.789 ( 0.020 0.311 0.680) 0.749 1.908 ( -0.777 0.631 0.035) 1.001 1.908 ( 0.777 0.631 -0.035) 1.001 2.205 ( 2.949 -0.314 -2.242) 3.718 2.205 ( -2.949 -0.314 2.242) 3.718 2.278 ( 2.798 0.066 -3.445) 4.438 2.278 ( -2.798 0.066 3.445) 4.438 2.661 ( 5.459 0.545 -5.222) 7.574 2.661 ( -5.459 0.545 5.222) 7.574 2.987 ( 2.526 0.653 -2.088) 3.342 2.987 ( -2.526 0.653 2.088) 3.342 3.095 ( 5.184 -0.375 -6.681) 8.465 3.095 ( -5.184 -0.375 6.681) 8.465 3.374 ( 2.150 0.520 -4.015) 4.584 3.374 ( -2.150 0.520 4.015) 4.584 3.655 ( 4.402 0.412 -6.044) 7.488 3.655 ( -4.402 0.412 6.044) 7.488 3.987 ( 2.443 -1.803 -2.435) 3.892 3.987 ( -2.443 -1.803 2.435) 3.892 4.397 ( 4.151 0.659 -5.687) 7.071 4.397 ( -4.151 0.659 5.687) 7.071 4.694 ( 3.993 0.544 -8.217) 9.152 4.694 ( -3.993 0.544 8.217) 9.152 4.877 ( 1.504 -0.302 -1.655) 2.257 4.877 ( -1.504 -0.302 1.655) 2.257 5.126 ( 1.422 -0.429 -1.341) 2.001 5.126 ( -1.422 -0.429 1.341) 2.001 5.306 ( 5.743 -0.220 -6.485) 8.665 5.306 ( -5.743 -0.220 6.485) 8.665 5.962 ( 2.121 -0.245 -2.164) 3.040 5.962 ( -2.121 -0.245 2.164) 3.040 6.719 ( 5.095 -0.222 -6.768) 8.474 6.719 ( -5.095 -0.222 6.768) 8.474 7.884 ( -0.945 4.908 -2.430) 5.558 7.884 ( 0.945 4.908 2.430) 5.558 8.176 ( 3.738 -2.883 -6.244) 7.828 8.176 ( -3.738 -2.883 6.244) 7.828 8.524 ( 1.534 -0.373 -7.442) 7.607 8.524 ( -1.534 -0.373 7.442) 7.607 10.031 ( 0.798 0.244 -0.643) 1.054 10.031 ( -0.798 0.244 0.643) 1.054 10.151 ( 0.925 -0.289 -1.396) 1.700 10.151 ( -0.925 -0.289 1.396) 1.700 13.136 ( 4.318 0.016 -4.085) 5.944 13.136 ( -4.318 0.016 4.085) 5.944 13.641 ( 3.865 2.247 -9.738) 10.716 13.641 ( -3.865 2.247 9.738) 10.716 14.082 ( 1.313 -1.991 -6.475) 6.900 14.082 ( -1.313 -1.991 6.475) 6.900 14.406 ( 0.705 4.663 -17.535) 18.158 14.406 ( -0.705 4.663 17.535) 18.158 16.246 ( -1.555 0.720 -1.366) 2.191 16.246 ( 1.555 0.720 1.366) 2.191 16.543 ( -0.524 -5.364 -2.779) 6.063 16.543 ( 0.524 -5.364 2.779) 6.063 =================== 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 3/19404 10.0 1.713 0.702 2.543 -0.000 -1.686 0.000 3/19404 20.0 1.208 0.367 1.795 -0.000 -1.263 0.000 3/19404 30.0 0.932 0.253 1.376 -0.000 -0.991 0.000 3/19404 40.0 0.769 0.195 1.131 -0.000 -0.825 0.000 3/19404 50.0 0.662 0.160 0.971 -0.000 -0.714 0.000 3/19404 60.0 0.585 0.136 0.857 -0.000 -0.632 0.000 3/19404 70.0 0.525 0.119 0.769 -0.000 -0.569 0.000 3/19404 80.0 0.477 0.106 0.698 -0.000 -0.518 0.000 3/19404 90.0 0.438 0.096 0.641 -0.000 -0.475 0.000 3/19404 100.0 0.405 0.089 0.593 -0.000 -0.439 0.000 3/19404 110.0 0.376 0.083 0.552 -0.000 -0.407 0.000 3/19404 120.0 0.352 0.078 0.517 -0.000 -0.380 0.000 3/19404 130.0 0.331 0.074 0.486 -0.000 -0.357 0.000 3/19404 140.0 0.312 0.070 0.460 -0.000 -0.336 0.000 3/19404 150.0 0.296 0.067 0.436 -0.000 -0.318 0.000 3/19404 160.0 0.281 0.065 0.415 -0.000 -0.301 0.000 3/19404 170.0 0.268 0.062 0.395 -0.000 -0.286 0.000 3/19404 180.0 0.256 0.060 0.378 -0.000 -0.273 0.000 3/19404 190.0 0.244 0.058 0.362 -0.000 -0.260 0.000 3/19404 200.0 0.234 0.057 0.348 -0.000 -0.249 0.000 3/19404 210.0 0.225 0.055 0.334 -0.000 -0.239 0.000 3/19404 220.0 0.217 0.053 0.322 -0.000 -0.229 0.000 3/19404 230.0 0.209 0.052 0.310 -0.000 -0.220 0.000 3/19404 240.0 0.201 0.051 0.299 -0.000 -0.212 0.000 3/19404 250.0 0.194 0.049 0.289 -0.000 -0.205 0.000 3/19404 260.0 0.188 0.048 0.280 -0.000 -0.198 0.000 3/19404 270.0 0.182 0.047 0.271 -0.000 -0.191 0.000 3/19404 280.0 0.176 0.046 0.263 -0.000 -0.185 0.000 3/19404 290.0 0.171 0.045 0.255 -0.000 -0.179 0.000 3/19404 300.0 0.166 0.043 0.248 -0.000 -0.173 0.000 3/19404 310.0 0.161 0.042 0.241 -0.000 -0.168 0.000 3/19404 320.0 0.157 0.041 0.234 -0.000 -0.163 0.000 3/19404 330.0 0.152 0.041 0.228 -0.000 -0.159 0.000 3/19404 340.0 0.148 0.040 0.222 -0.000 -0.155 0.000 3/19404 350.0 0.144 0.039 0.216 -0.000 -0.150 0.000 3/19404 360.0 0.141 0.038 0.211 -0.000 -0.147 0.000 3/19404 370.0 0.137 0.037 0.206 -0.000 -0.143 0.000 3/19404 380.0 0.134 0.036 0.201 -0.000 -0.139 0.000 3/19404 390.0 0.131 0.036 0.196 -0.000 -0.136 0.000 3/19404 400.0 0.128 0.035 0.192 -0.000 -0.133 0.000 3/19404 410.0 0.125 0.034 0.187 -0.000 -0.130 0.000 3/19404 420.0 0.122 0.034 0.183 -0.000 -0.127 0.000 3/19404 430.0 0.120 0.033 0.179 -0.000 -0.124 0.000 3/19404 440.0 0.117 0.032 0.176 -0.000 -0.121 0.000 3/19404 450.0 0.115 0.032 0.172 -0.000 -0.119 0.000 3/19404 460.0 0.112 0.031 0.168 -0.000 -0.116 0.000 3/19404 470.0 0.110 0.031 0.165 -0.000 -0.114 0.000 3/19404 480.0 0.108 0.030 0.162 -0.000 -0.112 0.000 3/19404 490.0 0.106 0.030 0.159 -0.000 -0.109 0.000 3/19404 500.0 0.104 0.029 0.156 -0.000 -0.107 0.000 3/19404 510.0 0.102 0.029 0.153 -0.000 -0.105 0.000 3/19404 520.0 0.100 0.028 0.150 -0.000 -0.103 0.000 3/19404 530.0 0.098 0.028 0.148 -0.000 -0.101 0.000 3/19404 540.0 0.097 0.027 0.145 -0.000 -0.100 0.000 3/19404 550.0 0.095 0.027 0.143 -0.000 -0.098 0.000 3/19404 560.0 0.093 0.026 0.140 -0.000 -0.096 0.000 3/19404 570.0 0.092 0.026 0.138 -0.000 -0.095 0.000 3/19404 580.0 0.090 0.025 0.136 -0.000 -0.093 0.000 3/19404 590.0 0.089 0.025 0.133 -0.000 -0.091 0.000 3/19404 600.0 0.087 0.025 0.131 -0.000 -0.090 0.000 3/19404 610.0 0.086 0.024 0.129 -0.000 -0.089 0.000 3/19404 620.0 0.085 0.024 0.127 -0.000 -0.087 0.000 3/19404 630.0 0.083 0.024 0.125 -0.000 -0.086 0.000 3/19404 640.0 0.082 0.023 0.123 -0.000 -0.085 0.000 3/19404 650.0 0.081 0.023 0.122 -0.000 -0.083 0.000 3/19404 660.0 0.080 0.023 0.120 -0.000 -0.082 0.000 3/19404 670.0 0.079 0.022 0.118 -0.000 -0.081 0.000 3/19404 680.0 0.077 0.022 0.116 -0.000 -0.080 0.000 3/19404 690.0 0.076 0.022 0.115 -0.000 -0.079 0.000 3/19404 700.0 0.075 0.022 0.113 -0.000 -0.077 0.000 3/19404 710.0 0.074 0.021 0.112 -0.000 -0.076 0.000 3/19404 720.0 0.073 0.021 0.110 -0.000 -0.075 0.000 3/19404 730.0 0.072 0.021 0.109 -0.000 -0.074 0.000 3/19404 740.0 0.071 0.020 0.107 -0.000 -0.073 0.000 3/19404 750.0 0.070 0.020 0.106 -0.000 -0.072 0.000 3/19404 760.0 0.070 0.020 0.105 -0.000 -0.071 0.000 3/19404 770.0 0.069 0.020 0.103 -0.000 -0.071 0.000 3/19404 780.0 0.068 0.019 0.102 -0.000 -0.070 0.000 3/19404 790.0 0.067 0.019 0.101 -0.000 -0.069 0.000 3/19404 800.0 0.066 0.019 0.099 -0.000 -0.068 0.000 3/19404 810.0 0.065 0.019 0.098 -0.000 -0.067 0.000 3/19404 820.0 0.065 0.019 0.097 -0.000 -0.066 0.000 3/19404 830.0 0.064 0.018 0.096 -0.000 -0.066 0.000 3/19404 840.0 0.063 0.018 0.095 -0.000 -0.065 0.000 3/19404 850.0 0.062 0.018 0.094 -0.000 -0.064 0.000 3/19404 860.0 0.062 0.018 0.093 -0.000 -0.063 0.000 3/19404 870.0 0.061 0.018 0.092 -0.000 -0.063 0.000 3/19404 880.0 0.060 0.017 0.091 -0.000 -0.062 0.000 3/19404 890.0 0.060 0.017 0.090 -0.000 -0.061 0.000 3/19404 900.0 0.059 0.017 0.089 -0.000 -0.061 0.000 3/19404 910.0 0.058 0.017 0.088 -0.000 -0.060 0.000 3/19404 920.0 0.058 0.017 0.087 -0.000 -0.059 0.000 3/19404 930.0 0.057 0.016 0.086 -0.000 -0.059 0.000 3/19404 940.0 0.057 0.016 0.085 -0.000 -0.058 0.000 3/19404 950.0 0.056 0.016 0.084 -0.000 -0.057 0.000 3/19404 960.0 0.055 0.016 0.083 -0.000 -0.057 0.000 3/19404 970.0 0.055 0.016 0.082 -0.000 -0.056 0.000 3/19404 980.0 0.054 0.016 0.082 -0.000 -0.056 0.000 3/19404 990.0 0.054 0.016 0.081 -0.000 -0.055 0.000 3/19404 1000.0 0.053 0.015 0.080 -0.000 -0.055 0.000 3/19404 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:37:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|