----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:34:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] 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 4.174048975014127 -4.777577560000000 0.000000000000000 b 4.174048975014127 4.777577560000000 0.000000000000000 c -2.332066936137327 0.000000000000000 6.508545587571087 Atomic positions (fractional): *1 C 0.14381668140540 0.39727567590630 0.74881268967141 12.011 2 C 0.60272432409370 0.85618331859460 0.75118731032859 12.011 3 C 0.85618331859460 0.60272432409370 0.25118731032859 12.011 4 C 0.39727567590630 0.14381668140540 0.24881268967141 12.011 *5 O 0.40960542573756 0.94220496692304 0.23055535160905 15.999 6 O 0.05779503307696 0.59039457426244 0.26944464839095 15.999 7 O 0.59039457426244 0.05779503307696 0.76944464839095 15.999 8 O 0.94220496692304 0.40960542573756 0.73055535160905 15.999 *9 O 0.25713919816087 0.20881848530739 0.11985772227637 15.999 10 O 0.79118151469261 0.74286080183913 0.38014227772363 15.999 11 O 0.74286080183913 0.79118151469261 0.88014227772363 15.999 12 O 0.20881848530739 0.25713919816087 0.61985772227637 15.999 *13 O 0.53489050281936 0.30059402700375 0.39836181946349 15.999 14 O 0.69940597299625 0.46510949718064 0.10163818053651 15.999 15 O 0.46510949718064 0.69940597299625 0.60163818053651 15.999 16 O 0.30059402700375 0.53489050281936 0.89836181946349 15.999 *17 K 0.87929636055456 0.12070363944544 0.25000000000000 39.098 18 K 0.12070363944544 0.87929636055456 0.75000000000000 39.098 *19 Dy 0.40827036742956 0.59172963257044 0.25000000000000 162.500 20 Dy 0.59172963257044 0.40827036742956 0.75000000000000 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.348097950028254 0.000000000000000 0.000000000000000 b 0.000000000000000 9.555155120000000 0.000000000000000 c -2.332066936137327 0.000000000000000 6.508545587571087 Atomic positions (fractional): *1 C 0.27054617865585 0.12672949725045 0.74881268967141 12.011 > 1 2 C 0.72945382134415 0.12672949725045 0.75118731032859 12.011 > 2 3 C 0.72945382134415 0.87327050274955 0.25118731032859 12.011 > 3 4 C 0.27054617865585 0.87327050274955 0.24881268967141 12.011 > 4 5 C 0.77054617865585 0.62672949725045 0.74881268967141 12.011 > 1 6 C 0.22945382134415 0.62672949725045 0.75118731032859 12.011 > 2 7 C 0.22945382134415 0.37327050274955 0.25118731032859 12.011 > 3 8 C 0.77054617865585 0.37327050274955 0.24881268967141 12.011 > 4 *9 O 0.67590519633030 0.26629977059274 0.23055535160905 15.999 > 5 10 O 0.32409480366970 0.26629977059274 0.26944464839095 15.999 > 6 11 O 0.32409480366970 0.73370022940726 0.76944464839095 15.999 > 7 12 O 0.67590519633030 0.73370022940726 0.73055535160905 15.999 > 8 *13 O 0.23297884173413 0.97583964357326 0.11985772227637 15.999 > 9 14 O 0.76702115826587 0.97583964357326 0.38014227772363 15.999 > 10 15 O 0.76702115826587 0.02416035642674 0.88014227772363 15.999 > 11 16 O 0.23297884173413 0.02416035642674 0.61985772227637 15.999 > 12 *17 O 0.41774226491156 0.88285176209219 0.39836181946349 15.999 > 13 18 O 0.58225773508844 0.88285176209219 0.10163818053651 15.999 > 14 19 O 0.58225773508844 0.11714823790781 0.60163818053651 15.999 > 15 20 O 0.41774226491156 0.11714823790781 0.89836181946349 15.999 > 16 21 O 0.17590519633030 0.76629977059274 0.23055535160905 15.999 > 5 22 O 0.82409480366970 0.76629977059274 0.26944464839095 15.999 > 6 23 O 0.82409480366970 0.23370022940726 0.76944464839095 15.999 > 7 24 O 0.17590519633030 0.23370022940726 0.73055535160905 15.999 > 8 25 O 0.73297884173413 0.47583964357326 0.11985772227637 15.999 > 9 26 O 0.26702115826587 0.47583964357326 0.38014227772363 15.999 > 10 27 O 0.26702115826587 0.52416035642674 0.88014227772363 15.999 > 11 28 O 0.73297884173413 0.52416035642674 0.61985772227637 15.999 > 12 29 O 0.91774226491156 0.38285176209219 0.39836181946349 15.999 > 13 30 O 0.08225773508844 0.38285176209219 0.10163818053651 15.999 > 14 31 O 0.08225773508844 0.61714823790781 0.60163818053651 15.999 > 15 32 O 0.91774226491156 0.61714823790781 0.89836181946349 15.999 > 16 *33 K 0.50000000000000 0.62070363944544 0.25000000000000 39.098 > 17 34 K 0.50000000000000 0.37929636055456 0.75000000000000 39.098 > 18 35 K 0.00000000000000 0.12070363944544 0.25000000000000 39.098 > 17 36 K 0.00000000000000 0.87929636055456 0.75000000000000 39.098 > 18 *37 Dy 0.50000000000000 0.09172963257044 0.25000000000000 162.500 > 19 38 Dy 0.50000000000000 0.90827036742956 0.75000000000000 162.500 > 20 39 Dy 0.00000000000000 0.59172963257044 0.25000000000000 162.500 > 19 40 Dy 0.00000000000000 0.40827036742956 0.75000000000000 162.500 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.348097950028254 0.000000000000000 0.000000000000000 b 0.000000000000000 9.555155120000000 0.000000000000000 c -4.664133872274654 0.000000000000000 13.017091175142173 Atomic positions (fractional): *1 C 0.27054617865585 0.12672949725045 0.37440634483571 12.011 > 1 2 C 0.27054617865585 0.12672949725045 0.87440634483571 12.011 > 1 3 C 0.72945382134415 0.12672949725045 0.37559365516429 12.011 > 2 4 C 0.72945382134415 0.12672949725045 0.87559365516429 12.011 > 2 5 C 0.72945382134415 0.87327050274955 0.12559365516429 12.011 > 3 6 C 0.72945382134415 0.87327050274955 0.62559365516429 12.011 > 3 7 C 0.27054617865585 0.87327050274955 0.12440634483571 12.011 > 4 8 C 0.27054617865585 0.87327050274955 0.62440634483571 12.011 > 4 9 C 0.77054617865585 0.62672949725045 0.37440634483571 12.011 > 1 10 C 0.77054617865585 0.62672949725045 0.87440634483571 12.011 > 1 11 C 0.22945382134415 0.62672949725045 0.37559365516429 12.011 > 2 12 C 0.22945382134415 0.62672949725045 0.87559365516429 12.011 > 2 13 C 0.22945382134415 0.37327050274955 0.12559365516429 12.011 > 3 14 C 0.22945382134415 0.37327050274955 0.62559365516429 12.011 > 3 15 C 0.77054617865585 0.37327050274955 0.12440634483571 12.011 > 4 16 C 0.77054617865585 0.37327050274955 0.62440634483571 12.011 > 4 *17 O 0.67590519633030 0.26629977059274 0.11527767580453 15.999 > 5 18 O 0.67590519633030 0.26629977059274 0.61527767580453 15.999 > 5 19 O 0.32409480366970 0.26629977059274 0.13472232419547 15.999 > 6 20 O 0.32409480366970 0.26629977059274 0.63472232419547 15.999 > 6 21 O 0.32409480366970 0.73370022940726 0.38472232419547 15.999 > 7 22 O 0.32409480366970 0.73370022940726 0.88472232419547 15.999 > 7 23 O 0.67590519633030 0.73370022940726 0.36527767580453 15.999 > 8 24 O 0.67590519633030 0.73370022940726 0.86527767580453 15.999 > 8 *25 O 0.23297884173413 0.97583964357326 0.05992886113819 15.999 > 9 26 O 0.23297884173413 0.97583964357326 0.55992886113819 15.999 > 9 27 O 0.76702115826587 0.97583964357326 0.19007113886181 15.999 > 10 28 O 0.76702115826587 0.97583964357326 0.69007113886181 15.999 > 10 29 O 0.76702115826587 0.02416035642674 0.44007113886181 15.999 > 11 30 O 0.76702115826587 0.02416035642674 0.94007113886181 15.999 > 11 31 O 0.23297884173413 0.02416035642674 0.30992886113819 15.999 > 12 32 O 0.23297884173413 0.02416035642674 0.80992886113819 15.999 > 12 *33 O 0.41774226491156 0.88285176209219 0.19918090973174 15.999 > 13 34 O 0.41774226491156 0.88285176209219 0.69918090973174 15.999 > 13 35 O 0.58225773508844 0.88285176209219 0.05081909026826 15.999 > 14 36 O 0.58225773508844 0.88285176209219 0.55081909026826 15.999 > 14 37 O 0.58225773508844 0.11714823790781 0.30081909026826 15.999 > 15 38 O 0.58225773508844 0.11714823790781 0.80081909026826 15.999 > 15 39 O 0.41774226491156 0.11714823790781 0.44918090973174 15.999 > 16 40 O 0.41774226491156 0.11714823790781 0.94918090973174 15.999 > 16 41 O 0.17590519633030 0.76629977059274 0.11527767580453 15.999 > 5 42 O 0.17590519633030 0.76629977059274 0.61527767580453 15.999 > 5 43 O 0.82409480366970 0.76629977059274 0.13472232419547 15.999 > 6 44 O 0.82409480366970 0.76629977059274 0.63472232419547 15.999 > 6 45 O 0.82409480366970 0.23370022940726 0.38472232419547 15.999 > 7 46 O 0.82409480366970 0.23370022940726 0.88472232419547 15.999 > 7 47 O 0.17590519633030 0.23370022940726 0.36527767580453 15.999 > 8 48 O 0.17590519633030 0.23370022940726 0.86527767580453 15.999 > 8 49 O 0.73297884173413 0.47583964357326 0.05992886113819 15.999 > 9 50 O 0.73297884173413 0.47583964357326 0.55992886113819 15.999 > 9 51 O 0.26702115826587 0.47583964357326 0.19007113886181 15.999 > 10 52 O 0.26702115826587 0.47583964357326 0.69007113886181 15.999 > 10 53 O 0.26702115826587 0.52416035642674 0.44007113886181 15.999 > 11 54 O 0.26702115826587 0.52416035642674 0.94007113886181 15.999 > 11 55 O 0.73297884173413 0.52416035642674 0.30992886113819 15.999 > 12 56 O 0.73297884173413 0.52416035642674 0.80992886113819 15.999 > 12 57 O 0.91774226491156 0.38285176209219 0.19918090973174 15.999 > 13 58 O 0.91774226491156 0.38285176209219 0.69918090973174 15.999 > 13 59 O 0.08225773508844 0.38285176209219 0.05081909026826 15.999 > 14 60 O 0.08225773508844 0.38285176209219 0.55081909026826 15.999 > 14 61 O 0.08225773508844 0.61714823790781 0.30081909026826 15.999 > 15 62 O 0.08225773508844 0.61714823790781 0.80081909026826 15.999 > 15 63 O 0.91774226491156 0.61714823790781 0.44918090973174 15.999 > 16 64 O 0.91774226491156 0.61714823790781 0.94918090973174 15.999 > 16 *65 K 0.50000000000000 0.62070363944544 0.12500000000000 39.098 > 17 66 K 0.50000000000000 0.62070363944544 0.62500000000000 39.098 > 17 67 K 0.50000000000000 0.37929636055456 0.37500000000000 39.098 > 18 68 K 0.50000000000000 0.37929636055456 0.87500000000000 39.098 > 18 69 K 0.00000000000000 0.12070363944544 0.12500000000000 39.098 > 17 70 K 0.00000000000000 0.12070363944544 0.62500000000000 39.098 > 17 71 K 0.00000000000000 0.87929636055456 0.37500000000000 39.098 > 18 72 K 0.00000000000000 0.87929636055456 0.87500000000000 39.098 > 18 *73 Dy 0.50000000000000 0.09172963257044 0.12500000000000 162.500 > 19 74 Dy 0.50000000000000 0.09172963257044 0.62500000000000 162.500 > 19 75 Dy 0.50000000000000 0.90827036742956 0.37500000000000 162.500 > 20 76 Dy 0.50000000000000 0.90827036742956 0.87500000000000 162.500 > 20 77 Dy 0.00000000000000 0.59172963257044 0.12500000000000 162.500 > 19 78 Dy 0.00000000000000 0.59172963257044 0.62500000000000 162.500 > 19 79 Dy 0.00000000000000 0.40827036742956 0.37500000000000 162.500 > 20 80 Dy 0.00000000000000 0.40827036742956 0.87500000000000 162.500 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7899031 0.0000000 0.2020560 0.0000000 3.0283919 0.0000000 0.2020558 0.0000000 2.7309456 -------------------------- Born effective charges -------------------------- 1 C 1.9619572 -1.3769309 0.9518277 -1.2759041 2.8917257 0.4485541 1.2024802 0.3936688 2.0760416 2 C 1.9619572 1.3769309 0.9518277 1.2759041 2.8917257 -0.4485541 1.2024802 -0.3936688 2.0760416 3 C 1.9619572 -1.3769309 0.9518277 -1.2759041 2.8917257 0.4485541 1.2024802 0.3936688 2.0760416 4 C 1.9619572 1.3769309 0.9518277 1.2759041 2.8917257 -0.4485541 1.2024802 -0.3936688 2.0760416 5 O -1.8588218 -1.4570489 -0.1718348 -1.3794852 -2.5729405 -0.0364493 -0.2831122 -0.1841127 -0.8458141 6 O -1.8588218 1.4570489 -0.1718348 1.3794852 -2.5729405 0.0364493 -0.2831122 0.1841127 -0.8458141 7 O -1.8588218 -1.4570489 -0.1718348 -1.3794852 -2.5729405 -0.0364493 -0.2831122 -0.1841127 -0.8458141 8 O -1.8588218 1.4570489 -0.1718348 1.3794852 -2.5729405 0.0364493 -0.2831122 0.1841127 -0.8458141 9 O -1.2072408 -0.4221216 -0.1598259 -0.3780398 -1.8397562 0.4957412 -0.2213223 0.5192393 -1.3890275 10 O -1.2072408 0.4221216 -0.1598259 0.3780398 -1.8397562 -0.4957412 -0.2213223 -0.5192393 -1.3890275 11 O -1.2072408 -0.4221216 -0.1598259 -0.3780398 -1.8397562 0.4957412 -0.2213223 0.5192393 -1.3890275 12 O -1.2072408 0.4221216 -0.1598259 0.3780398 -1.8397562 -0.4957412 -0.2213223 -0.5192393 -1.3890275 13 O -1.5376237 -0.4001392 -0.7028163 -0.3881571 -1.2692656 -0.0772103 -0.6317212 -0.0465385 -2.3298440 14 O -1.5376237 0.4001392 -0.7028163 0.3881571 -1.2692656 0.0772103 -0.6317212 0.0465385 -2.3298440 15 O -1.5376237 -0.4001392 -0.7028163 -0.3881571 -1.2692656 -0.0772103 -0.6317212 -0.0465385 -2.3298440 16 O -1.5376237 0.4001392 -0.7028163 0.3881571 -1.2692656 0.0772103 -0.6317212 0.0465385 -2.3298440 17 K 1.2394602 0.0000000 0.0297124 0.0000000 1.1797487 0.0000000 0.0890480 0.0000000 1.1904440 18 K 1.2394602 0.0000000 0.0297124 0.0000000 1.1797487 0.0000000 0.0890480 0.0000000 1.1904440 19 Dy 4.0439979 0.0000000 0.1355861 0.0000000 4.4007247 0.0000000 -0.2216969 0.0000000 3.7868438 20 Dy 4.0439979 0.0000000 0.1355861 0.0000000 4.4007247 0.0000000 -0.2216969 0.0000000 3.7868438 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.182 Solver_block: 200 / 640 - Time: 2.193 Solver_block: 300 / 640 - Time: 2.189 Solver_block: 400 / 640 - Time: 2.190 Solver_block: 500 / 640 - Time: 2.185 Solver_block: 600 / 640 - Time: 2.185 Solver_block: 640 / 640 - Time: 0.937 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.111 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:35:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:35:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.174048975014127 -4.777577560000000 0.000000000000000 b 4.174048975014127 4.777577560000000 0.000000000000000 c -2.332066936137327 0.000000000000000 6.508545587571087 Atomic positions (fractional): 1 C 0.14381668140540 0.39727567590630 0.74881268967141 12.011 2 C 0.60272432409370 0.85618331859460 0.75118731032859 12.011 3 C 0.85618331859460 0.60272432409370 0.25118731032859 12.011 4 C 0.39727567590630 0.14381668140540 0.24881268967141 12.011 5 O 0.40960542573756 0.94220496692304 0.23055535160905 15.999 6 O 0.05779503307696 0.59039457426244 0.26944464839095 15.999 7 O 0.59039457426244 0.05779503307696 0.76944464839095 15.999 8 O 0.94220496692304 0.40960542573756 0.73055535160905 15.999 9 O 0.25713919816087 0.20881848530739 0.11985772227637 15.999 10 O 0.79118151469261 0.74286080183913 0.38014227772363 15.999 11 O 0.74286080183913 0.79118151469261 0.88014227772363 15.999 12 O 0.20881848530739 0.25713919816087 0.61985772227637 15.999 13 O 0.53489050281936 0.30059402700375 0.39836181946349 15.999 14 O 0.69940597299625 0.46510949718064 0.10163818053651 15.999 15 O 0.46510949718064 0.69940597299625 0.60163818053651 15.999 16 O 0.30059402700375 0.53489050281936 0.89836181946349 15.999 17 K 0.87929636055456 0.12070363944544 0.25000000000000 39.098 18 K 0.12070363944544 0.87929636055456 0.75000000000000 39.098 19 Dy 0.40827036742956 0.59172963257044 0.25000000000000 162.500 20 Dy 0.59172963257044 0.40827036742956 0.75000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.348097950028254 0.000000000000000 0.000000000000000 b 0.000000000000000 9.555155120000000 0.000000000000000 c -4.664133872274654 0.000000000000000 13.017091175142173 Atomic positions (fractional): 1 C 0.27054617865585 0.12672949725045 0.37440634483571 12.011 > 1 2 C 0.27054617865585 0.12672949725045 0.87440634483571 12.011 > 1 3 C 0.72945382134415 0.12672949725045 0.37559365516429 12.011 > 3 4 C 0.72945382134415 0.12672949725045 0.87559365516429 12.011 > 3 5 C 0.72945382134415 0.87327050274955 0.12559365516429 12.011 > 5 6 C 0.72945382134415 0.87327050274955 0.62559365516429 12.011 > 5 7 C 0.27054617865585 0.87327050274955 0.12440634483571 12.011 > 7 8 C 0.27054617865585 0.87327050274955 0.62440634483571 12.011 > 7 9 C 0.77054617865585 0.62672949725045 0.37440634483571 12.011 > 1 10 C 0.77054617865585 0.62672949725045 0.87440634483571 12.011 > 1 11 C 0.22945382134415 0.62672949725045 0.37559365516429 12.011 > 3 12 C 0.22945382134415 0.62672949725045 0.87559365516429 12.011 > 3 13 C 0.22945382134415 0.37327050274955 0.12559365516429 12.011 > 5 14 C 0.22945382134415 0.37327050274955 0.62559365516429 12.011 > 5 15 C 0.77054617865585 0.37327050274955 0.12440634483571 12.011 > 7 16 C 0.77054617865585 0.37327050274955 0.62440634483571 12.011 > 7 17 O 0.67590519633030 0.26629977059274 0.11527767580453 15.999 > 17 18 O 0.67590519633030 0.26629977059274 0.61527767580453 15.999 > 17 19 O 0.32409480366970 0.26629977059274 0.13472232419547 15.999 > 19 20 O 0.32409480366970 0.26629977059274 0.63472232419547 15.999 > 19 21 O 0.32409480366970 0.73370022940726 0.38472232419547 15.999 > 21 22 O 0.32409480366970 0.73370022940726 0.88472232419547 15.999 > 21 23 O 0.67590519633030 0.73370022940726 0.36527767580453 15.999 > 23 24 O 0.67590519633030 0.73370022940726 0.86527767580453 15.999 > 23 25 O 0.23297884173413 0.97583964357326 0.05992886113819 15.999 > 25 26 O 0.23297884173413 0.97583964357326 0.55992886113819 15.999 > 25 27 O 0.76702115826587 0.97583964357326 0.19007113886181 15.999 > 27 28 O 0.76702115826587 0.97583964357326 0.69007113886181 15.999 > 27 29 O 0.76702115826587 0.02416035642674 0.44007113886181 15.999 > 29 30 O 0.76702115826587 0.02416035642674 0.94007113886181 15.999 > 29 31 O 0.23297884173413 0.02416035642674 0.30992886113819 15.999 > 31 32 O 0.23297884173413 0.02416035642674 0.80992886113819 15.999 > 31 33 O 0.41774226491156 0.88285176209219 0.19918090973174 15.999 > 33 34 O 0.41774226491156 0.88285176209219 0.69918090973174 15.999 > 33 35 O 0.58225773508844 0.88285176209219 0.05081909026826 15.999 > 35 36 O 0.58225773508844 0.88285176209219 0.55081909026826 15.999 > 35 37 O 0.58225773508844 0.11714823790781 0.30081909026826 15.999 > 37 38 O 0.58225773508844 0.11714823790781 0.80081909026826 15.999 > 37 39 O 0.41774226491156 0.11714823790781 0.44918090973174 15.999 > 39 40 O 0.41774226491156 0.11714823790781 0.94918090973174 15.999 > 39 41 O 0.17590519633030 0.76629977059274 0.11527767580453 15.999 > 17 42 O 0.17590519633030 0.76629977059274 0.61527767580453 15.999 > 17 43 O 0.82409480366970 0.76629977059274 0.13472232419547 15.999 > 19 44 O 0.82409480366970 0.76629977059274 0.63472232419547 15.999 > 19 45 O 0.82409480366970 0.23370022940726 0.38472232419547 15.999 > 21 46 O 0.82409480366970 0.23370022940726 0.88472232419547 15.999 > 21 47 O 0.17590519633030 0.23370022940726 0.36527767580453 15.999 > 23 48 O 0.17590519633030 0.23370022940726 0.86527767580453 15.999 > 23 49 O 0.73297884173413 0.47583964357326 0.05992886113819 15.999 > 25 50 O 0.73297884173413 0.47583964357326 0.55992886113819 15.999 > 25 51 O 0.26702115826587 0.47583964357326 0.19007113886181 15.999 > 27 52 O 0.26702115826587 0.47583964357326 0.69007113886181 15.999 > 27 53 O 0.26702115826587 0.52416035642674 0.44007113886181 15.999 > 29 54 O 0.26702115826587 0.52416035642674 0.94007113886181 15.999 > 29 55 O 0.73297884173413 0.52416035642674 0.30992886113819 15.999 > 31 56 O 0.73297884173413 0.52416035642674 0.80992886113819 15.999 > 31 57 O 0.91774226491156 0.38285176209219 0.19918090973174 15.999 > 33 58 O 0.91774226491156 0.38285176209219 0.69918090973174 15.999 > 33 59 O 0.08225773508844 0.38285176209219 0.05081909026826 15.999 > 35 60 O 0.08225773508844 0.38285176209219 0.55081909026826 15.999 > 35 61 O 0.08225773508844 0.61714823790781 0.30081909026826 15.999 > 37 62 O 0.08225773508844 0.61714823790781 0.80081909026826 15.999 > 37 63 O 0.91774226491156 0.61714823790781 0.44918090973174 15.999 > 39 64 O 0.91774226491156 0.61714823790781 0.94918090973174 15.999 > 39 65 K 0.50000000000000 0.62070363944544 0.12500000000000 39.098 > 65 66 K 0.50000000000000 0.62070363944544 0.62500000000000 39.098 > 65 67 K 0.50000000000000 0.37929636055456 0.37500000000000 39.098 > 67 68 K 0.50000000000000 0.37929636055456 0.87500000000000 39.098 > 67 69 K 0.00000000000000 0.12070363944544 0.12500000000000 39.098 > 65 70 K 0.00000000000000 0.12070363944544 0.62500000000000 39.098 > 65 71 K 0.00000000000000 0.87929636055456 0.37500000000000 39.098 > 67 72 K 0.00000000000000 0.87929636055456 0.87500000000000 39.098 > 67 73 Dy 0.50000000000000 0.09172963257044 0.12500000000000 162.500 > 73 74 Dy 0.50000000000000 0.09172963257044 0.62500000000000 162.500 > 73 75 Dy 0.50000000000000 0.90827036742956 0.37500000000000 162.500 > 75 76 Dy 0.50000000000000 0.90827036742956 0.87500000000000 162.500 > 75 77 Dy 0.00000000000000 0.59172963257044 0.12500000000000 162.500 > 73 78 Dy 0.00000000000000 0.59172963257044 0.62500000000000 162.500 > 73 79 Dy 0.00000000000000 0.40827036742956 0.37500000000000 162.500 > 75 80 Dy 0.00000000000000 0.40827036742956 0.87500000000000 162.500 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7899031 0.0000000 0.2020560 0.0000000 3.0283919 0.0000000 0.2020558 0.0000000 2.7309456 -------------------------- Born effective charges -------------------------- 1 C 1.9619572 -1.3769309 0.9518277 -1.2759041 2.8917257 0.4485541 1.2024802 0.3936688 2.0760416 2 C 1.9619572 1.3769309 0.9518277 1.2759041 2.8917257 -0.4485541 1.2024802 -0.3936688 2.0760416 3 C 1.9619572 -1.3769309 0.9518277 -1.2759041 2.8917257 0.4485541 1.2024802 0.3936688 2.0760416 4 C 1.9619572 1.3769309 0.9518277 1.2759041 2.8917257 -0.4485541 1.2024802 -0.3936688 2.0760416 5 O -1.8588218 -1.4570489 -0.1718348 -1.3794852 -2.5729405 -0.0364493 -0.2831122 -0.1841127 -0.8458141 6 O -1.8588218 1.4570489 -0.1718348 1.3794852 -2.5729405 0.0364493 -0.2831122 0.1841127 -0.8458141 7 O -1.8588218 -1.4570489 -0.1718348 -1.3794852 -2.5729405 -0.0364493 -0.2831122 -0.1841127 -0.8458141 8 O -1.8588218 1.4570489 -0.1718348 1.3794852 -2.5729405 0.0364493 -0.2831122 0.1841127 -0.8458141 9 O -1.2072408 -0.4221216 -0.1598259 -0.3780398 -1.8397562 0.4957412 -0.2213223 0.5192393 -1.3890275 10 O -1.2072408 0.4221216 -0.1598259 0.3780398 -1.8397562 -0.4957412 -0.2213223 -0.5192393 -1.3890275 11 O -1.2072408 -0.4221216 -0.1598259 -0.3780398 -1.8397562 0.4957412 -0.2213223 0.5192393 -1.3890275 12 O -1.2072408 0.4221216 -0.1598259 0.3780398 -1.8397562 -0.4957412 -0.2213223 -0.5192393 -1.3890275 13 O -1.5376237 -0.4001392 -0.7028163 -0.3881571 -1.2692656 -0.0772103 -0.6317212 -0.0465385 -2.3298440 14 O -1.5376237 0.4001392 -0.7028163 0.3881571 -1.2692656 0.0772103 -0.6317212 0.0465385 -2.3298440 15 O -1.5376237 -0.4001392 -0.7028163 -0.3881571 -1.2692656 -0.0772103 -0.6317212 -0.0465385 -2.3298440 16 O -1.5376237 0.4001392 -0.7028163 0.3881571 -1.2692656 0.0772103 -0.6317212 0.0465385 -2.3298440 17 K 1.2394602 0.0000000 0.0297124 0.0000000 1.1797487 0.0000000 0.0890480 0.0000000 1.1904440 18 K 1.2394602 0.0000000 0.0297124 0.0000000 1.1797487 0.0000000 0.0890480 0.0000000 1.1904440 19 Dy 4.0439979 0.0000000 0.1355861 0.0000000 4.4007247 0.0000000 -0.2216969 0.0000000 3.7868438 20 Dy 4.0439979 0.0000000 0.1355861 0.0000000 4.4007247 0.0000000 -0.2216969 0.0000000 3.7868438 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000020 (xxx) 0.00000020 (xxx) 0.00000020 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (zx) 0.00000007 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:35:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:35:23]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.174048975014127 -4.777577560000000 0.000000000000000 b 4.174048975014127 4.777577560000000 0.000000000000000 c -2.332066936137327 0.000000000000000 6.508545587571087 Atomic positions (fractional): 1 C 0.14381668140540 0.39727567590630 0.74881268967141 12.011 2 C 0.60272432409370 0.85618331859460 0.75118731032859 12.011 3 C 0.85618331859460 0.60272432409370 0.25118731032859 12.011 4 C 0.39727567590630 0.14381668140540 0.24881268967141 12.011 5 O 0.40960542573756 0.94220496692304 0.23055535160905 15.999 6 O 0.05779503307696 0.59039457426244 0.26944464839095 15.999 7 O 0.59039457426244 0.05779503307696 0.76944464839095 15.999 8 O 0.94220496692304 0.40960542573756 0.73055535160905 15.999 9 O 0.25713919816087 0.20881848530739 0.11985772227637 15.999 10 O 0.79118151469261 0.74286080183913 0.38014227772363 15.999 11 O 0.74286080183913 0.79118151469261 0.88014227772363 15.999 12 O 0.20881848530739 0.25713919816087 0.61985772227637 15.999 13 O 0.53489050281936 0.30059402700375 0.39836181946349 15.999 14 O 0.69940597299625 0.46510949718064 0.10163818053651 15.999 15 O 0.46510949718064 0.69940597299625 0.60163818053651 15.999 16 O 0.30059402700375 0.53489050281936 0.89836181946349 15.999 17 K 0.87929636055456 0.12070363944544 0.25000000000000 39.098 18 K 0.12070363944544 0.87929636055456 0.75000000000000 39.098 19 Dy 0.40827036742956 0.59172963257044 0.25000000000000 162.500 20 Dy 0.59172963257044 0.40827036742956 0.75000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.348097950028254 0.000000000000000 0.000000000000000 b 0.000000000000000 9.555155120000000 0.000000000000000 c -4.664133872274654 0.000000000000000 13.017091175142173 Atomic positions (fractional): 1 C 0.27054617865585 0.12672949725045 0.37440634483571 12.011 > 1 2 C 0.27054617865585 0.12672949725045 0.87440634483571 12.011 > 1 3 C 0.72945382134415 0.12672949725045 0.37559365516429 12.011 > 3 4 C 0.72945382134415 0.12672949725045 0.87559365516429 12.011 > 3 5 C 0.72945382134415 0.87327050274955 0.12559365516429 12.011 > 5 6 C 0.72945382134415 0.87327050274955 0.62559365516429 12.011 > 5 7 C 0.27054617865585 0.87327050274955 0.12440634483571 12.011 > 7 8 C 0.27054617865585 0.87327050274955 0.62440634483571 12.011 > 7 9 C 0.77054617865585 0.62672949725045 0.37440634483571 12.011 > 1 10 C 0.77054617865585 0.62672949725045 0.87440634483571 12.011 > 1 11 C 0.22945382134415 0.62672949725045 0.37559365516429 12.011 > 3 12 C 0.22945382134415 0.62672949725045 0.87559365516429 12.011 > 3 13 C 0.22945382134415 0.37327050274955 0.12559365516429 12.011 > 5 14 C 0.22945382134415 0.37327050274955 0.62559365516429 12.011 > 5 15 C 0.77054617865585 0.37327050274955 0.12440634483571 12.011 > 7 16 C 0.77054617865585 0.37327050274955 0.62440634483571 12.011 > 7 17 O 0.67590519633030 0.26629977059274 0.11527767580453 15.999 > 17 18 O 0.67590519633030 0.26629977059274 0.61527767580453 15.999 > 17 19 O 0.32409480366970 0.26629977059274 0.13472232419547 15.999 > 19 20 O 0.32409480366970 0.26629977059274 0.63472232419547 15.999 > 19 21 O 0.32409480366970 0.73370022940726 0.38472232419547 15.999 > 21 22 O 0.32409480366970 0.73370022940726 0.88472232419547 15.999 > 21 23 O 0.67590519633030 0.73370022940726 0.36527767580453 15.999 > 23 24 O 0.67590519633030 0.73370022940726 0.86527767580453 15.999 > 23 25 O 0.23297884173413 0.97583964357326 0.05992886113819 15.999 > 25 26 O 0.23297884173413 0.97583964357326 0.55992886113819 15.999 > 25 27 O 0.76702115826587 0.97583964357326 0.19007113886181 15.999 > 27 28 O 0.76702115826587 0.97583964357326 0.69007113886181 15.999 > 27 29 O 0.76702115826587 0.02416035642674 0.44007113886181 15.999 > 29 30 O 0.76702115826587 0.02416035642674 0.94007113886181 15.999 > 29 31 O 0.23297884173413 0.02416035642674 0.30992886113819 15.999 > 31 32 O 0.23297884173413 0.02416035642674 0.80992886113819 15.999 > 31 33 O 0.41774226491156 0.88285176209219 0.19918090973174 15.999 > 33 34 O 0.41774226491156 0.88285176209219 0.69918090973174 15.999 > 33 35 O 0.58225773508844 0.88285176209219 0.05081909026826 15.999 > 35 36 O 0.58225773508844 0.88285176209219 0.55081909026826 15.999 > 35 37 O 0.58225773508844 0.11714823790781 0.30081909026826 15.999 > 37 38 O 0.58225773508844 0.11714823790781 0.80081909026826 15.999 > 37 39 O 0.41774226491156 0.11714823790781 0.44918090973174 15.999 > 39 40 O 0.41774226491156 0.11714823790781 0.94918090973174 15.999 > 39 41 O 0.17590519633030 0.76629977059274 0.11527767580453 15.999 > 17 42 O 0.17590519633030 0.76629977059274 0.61527767580453 15.999 > 17 43 O 0.82409480366970 0.76629977059274 0.13472232419547 15.999 > 19 44 O 0.82409480366970 0.76629977059274 0.63472232419547 15.999 > 19 45 O 0.82409480366970 0.23370022940726 0.38472232419547 15.999 > 21 46 O 0.82409480366970 0.23370022940726 0.88472232419547 15.999 > 21 47 O 0.17590519633030 0.23370022940726 0.36527767580453 15.999 > 23 48 O 0.17590519633030 0.23370022940726 0.86527767580453 15.999 > 23 49 O 0.73297884173413 0.47583964357326 0.05992886113819 15.999 > 25 50 O 0.73297884173413 0.47583964357326 0.55992886113819 15.999 > 25 51 O 0.26702115826587 0.47583964357326 0.19007113886181 15.999 > 27 52 O 0.26702115826587 0.47583964357326 0.69007113886181 15.999 > 27 53 O 0.26702115826587 0.52416035642674 0.44007113886181 15.999 > 29 54 O 0.26702115826587 0.52416035642674 0.94007113886181 15.999 > 29 55 O 0.73297884173413 0.52416035642674 0.30992886113819 15.999 > 31 56 O 0.73297884173413 0.52416035642674 0.80992886113819 15.999 > 31 57 O 0.91774226491156 0.38285176209219 0.19918090973174 15.999 > 33 58 O 0.91774226491156 0.38285176209219 0.69918090973174 15.999 > 33 59 O 0.08225773508844 0.38285176209219 0.05081909026826 15.999 > 35 60 O 0.08225773508844 0.38285176209219 0.55081909026826 15.999 > 35 61 O 0.08225773508844 0.61714823790781 0.30081909026826 15.999 > 37 62 O 0.08225773508844 0.61714823790781 0.80081909026826 15.999 > 37 63 O 0.91774226491156 0.61714823790781 0.44918090973174 15.999 > 39 64 O 0.91774226491156 0.61714823790781 0.94918090973174 15.999 > 39 65 K 0.50000000000000 0.62070363944544 0.12500000000000 39.098 > 65 66 K 0.50000000000000 0.62070363944544 0.62500000000000 39.098 > 65 67 K 0.50000000000000 0.37929636055456 0.37500000000000 39.098 > 67 68 K 0.50000000000000 0.37929636055456 0.87500000000000 39.098 > 67 69 K 0.00000000000000 0.12070363944544 0.12500000000000 39.098 > 65 70 K 0.00000000000000 0.12070363944544 0.62500000000000 39.098 > 65 71 K 0.00000000000000 0.87929636055456 0.37500000000000 39.098 > 67 72 K 0.00000000000000 0.87929636055456 0.87500000000000 39.098 > 67 73 Dy 0.50000000000000 0.09172963257044 0.12500000000000 162.500 > 73 74 Dy 0.50000000000000 0.09172963257044 0.62500000000000 162.500 > 73 75 Dy 0.50000000000000 0.90827036742956 0.37500000000000 162.500 > 75 76 Dy 0.50000000000000 0.90827036742956 0.87500000000000 162.500 > 75 77 Dy 0.00000000000000 0.59172963257044 0.12500000000000 162.500 > 73 78 Dy 0.00000000000000 0.59172963257044 0.62500000000000 162.500 > 73 79 Dy 0.00000000000000 0.40827036742956 0.37500000000000 162.500 > 75 80 Dy 0.00000000000000 0.40827036742956 0.87500000000000 162.500 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7899031 0.0000000 0.2020560 0.0000000 3.0283919 0.0000000 0.2020558 0.0000000 2.7309456 -------------------------- Born effective charges -------------------------- 1 C 1.9619572 -1.3769309 0.9518277 -1.2759041 2.8917257 0.4485541 1.2024802 0.3936688 2.0760416 2 C 1.9619572 1.3769309 0.9518277 1.2759041 2.8917257 -0.4485541 1.2024802 -0.3936688 2.0760416 3 C 1.9619572 -1.3769309 0.9518277 -1.2759041 2.8917257 0.4485541 1.2024802 0.3936688 2.0760416 4 C 1.9619572 1.3769309 0.9518277 1.2759041 2.8917257 -0.4485541 1.2024802 -0.3936688 2.0760416 5 O -1.8588218 -1.4570489 -0.1718348 -1.3794852 -2.5729405 -0.0364493 -0.2831122 -0.1841127 -0.8458141 6 O -1.8588218 1.4570489 -0.1718348 1.3794852 -2.5729405 0.0364493 -0.2831122 0.1841127 -0.8458141 7 O -1.8588218 -1.4570489 -0.1718348 -1.3794852 -2.5729405 -0.0364493 -0.2831122 -0.1841127 -0.8458141 8 O -1.8588218 1.4570489 -0.1718348 1.3794852 -2.5729405 0.0364493 -0.2831122 0.1841127 -0.8458141 9 O -1.2072408 -0.4221216 -0.1598259 -0.3780398 -1.8397562 0.4957412 -0.2213223 0.5192393 -1.3890275 10 O -1.2072408 0.4221216 -0.1598259 0.3780398 -1.8397562 -0.4957412 -0.2213223 -0.5192393 -1.3890275 11 O -1.2072408 -0.4221216 -0.1598259 -0.3780398 -1.8397562 0.4957412 -0.2213223 0.5192393 -1.3890275 12 O -1.2072408 0.4221216 -0.1598259 0.3780398 -1.8397562 -0.4957412 -0.2213223 -0.5192393 -1.3890275 13 O -1.5376237 -0.4001392 -0.7028163 -0.3881571 -1.2692656 -0.0772103 -0.6317212 -0.0465385 -2.3298440 14 O -1.5376237 0.4001392 -0.7028163 0.3881571 -1.2692656 0.0772103 -0.6317212 0.0465385 -2.3298440 15 O -1.5376237 -0.4001392 -0.7028163 -0.3881571 -1.2692656 -0.0772103 -0.6317212 -0.0465385 -2.3298440 16 O -1.5376237 0.4001392 -0.7028163 0.3881571 -1.2692656 0.0772103 -0.6317212 0.0465385 -2.3298440 17 K 1.2394602 0.0000000 0.0297124 0.0000000 1.1797487 0.0000000 0.0890480 0.0000000 1.1904440 18 K 1.2394602 0.0000000 0.0297124 0.0000000 1.1797487 0.0000000 0.0890480 0.0000000 1.1904440 19 Dy 4.0439979 0.0000000 0.1355861 0.0000000 4.4007247 0.0000000 -0.2216969 0.0000000 3.7868438 20 Dy 4.0439979 0.0000000 0.1355861 0.0000000 4.4007247 0.0000000 -0.2216969 0.0000000 3.7868438 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000020 (xxx) 0.00000020 (xxx) 0.00000020 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.65, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 6.853 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 8.338 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 10.093 ( 0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 19.034 ( 0.000 0.000 0.000) 0.000 19.218 ( 0.000 0.000 0.000) 0.000 19.294 ( 0.000 0.000 0.000) 0.000 19.433 ( 0.000 0.000 0.000) 0.000 21.573 ( 0.000 0.000 0.000) 0.000 21.614 ( 0.000 0.000 0.000) 0.000 21.850 ( 0.000 0.000 0.000) 0.000 22.116 ( 0.000 0.000 0.000) 0.000 24.379 ( 0.000 0.000 0.000) 0.000 24.420 ( 0.000 0.000 0.000) 0.000 24.461 ( 0.000 0.000 0.000) 0.000 24.522 ( 0.000 0.000 0.000) 0.000 32.505 ( 0.000 0.000 0.000) 0.000 32.540 ( 0.000 0.000 0.000) 0.000 32.571 ( 0.000 0.000 0.000) 0.000 32.824 ( 0.000 0.000 0.000) 0.000 40.296 ( 0.000 0.000 0.000) 0.000 41.625 ( 0.000 0.000 0.000) 0.000 41.935 ( 0.000 0.000 0.000) 0.000 41.966 ( 0.000 0.000 0.000) 0.000 45.473 ( 0.000 0.000 0.000) 0.000 45.709 ( 0.000 0.000 0.000) 0.000 45.747 ( 0.000 0.000 0.000) 0.000 45.779 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 18.180 -15.650 6.921) 24.967 0.537 ( 18.240 -12.629 15.239) 26.915 1.271 ( 35.118 -46.085 5.513) 58.202 2.144 ( -1.774 -3.248 0.442) 3.728 2.307 ( -0.162 -3.617 -0.705) 3.689 2.367 ( 4.989 -7.367 3.409) 9.528 2.674 ( -1.746 -6.582 2.285) 7.183 3.147 ( 4.749 4.450 -8.717) 10.878 3.287 ( 3.137 -4.729 -3.070) 6.452 3.456 ( 1.071 5.951 -0.606) 6.077 3.518 ( 8.377 13.155 -2.083) 15.734 3.844 ( 4.463 -4.449 -0.728) 6.344 3.911 ( 1.344 -5.793 -3.306) 6.804 3.958 ( -3.943 -6.931 2.202) 8.272 4.094 ( -1.110 -3.951 1.598) 4.404 4.239 ( 0.865 -7.180 2.649) 7.702 4.547 ( -1.008 1.302 -1.993) 2.585 4.691 ( -1.821 -5.866 -2.467) 6.619 4.794 ( -2.127 2.293 -0.227) 3.136 4.957 ( -0.210 9.791 11.592) 15.175 5.409 ( 4.146 -2.368 -1.304) 4.950 5.557 ( 9.837 1.462 -3.224) 10.455 5.661 ( -1.315 3.663 -2.206) 4.474 5.851 ( -3.487 -7.028 0.021) 7.846 6.171 ( 4.460 -0.024 1.980) 4.880 6.530 ( -0.420 1.296 -0.104) 1.366 6.687 ( 0.382 -2.838 -0.507) 2.908 6.845 ( -1.176 -0.936 1.907) 2.428 7.245 ( 3.650 1.238 -19.032) 19.419 7.350 ( 3.788 0.081 -1.024) 3.925 7.634 ( 3.051 -3.434 -4.140) 6.184 7.999 ( -10.999 -20.776 -15.186) 27.986 8.445 ( 1.211 1.177 -2.616) 3.114 9.841 ( -9.713 13.419 6.347) 17.740 10.093 ( -1.745 1.388 -0.034) 2.231 10.405 ( 5.870 -5.011 2.150) 8.011 19.048 ( 0.126 -1.096 0.753) 1.336 19.227 ( -0.503 -0.863 -0.265) 1.033 19.294 ( -0.223 -0.283 -0.329) 0.488 19.422 ( -0.180 1.548 0.254) 1.580 21.559 ( -1.600 1.957 -0.307) 2.546 21.601 ( -1.106 0.312 -0.744) 1.369 21.831 ( -0.363 1.655 -0.374) 1.736 22.105 ( -2.566 0.678 -0.837) 2.783 24.396 ( 2.208 1.644 -2.824) 3.944 24.430 ( 1.081 -0.139 -0.504) 1.201 24.481 ( -1.134 -1.474 -2.364) 3.008 24.521 ( -0.254 -0.209 -0.209) 0.390 32.542 ( 0.356 -0.576 0.805) 1.052 32.552 ( -0.522 0.881 3.831) 3.966 32.588 ( 1.468 -0.413 1.040) 1.846 32.825 ( 0.266 0.264 0.030) 0.376 41.322 ( 26.216 64.311 76.718) 103.483 41.610 ( 2.113 6.834 5.209) 8.849 41.914 ( -0.675 1.997 0.083) 2.110 42.080 ( -1.968 4.085 11.370) 12.241 45.511 ( -3.897 -8.140 3.178) 9.568 45.703 ( 1.615 0.156 -1.647) 2.311 45.831 ( 10.824 2.904 0.540) 11.220 48.278 ( -53.326 -74.110 -35.474) 97.950 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 14.852 -15.740 4.411) 22.086 1.017 ( 15.601 -9.030 14.816) 23.333 1.990 ( -3.473 -6.990 -0.593) 7.828 2.199 ( 0.319 -11.658 1.663) 11.781 2.307 ( -0.183 -1.418 2.397) 2.791 2.583 ( 13.334 -10.755 1.791) 17.224 2.924 ( 4.765 -10.293 -3.789) 11.959 3.148 ( 9.605 -2.534 -2.879) 10.342 3.340 ( 5.597 2.398 1.481) 6.267 3.421 ( 2.459 -1.209 -1.966) 3.373 3.583 ( 6.531 -2.752 -4.863) 8.595 3.945 ( 9.283 1.005 -0.827) 9.374 3.992 ( 0.161 -2.878 -0.050) 2.883 4.015 ( -1.540 -6.104 -0.085) 6.296 4.162 ( 0.440 -8.499 -0.593) 8.531 4.327 ( -4.467 -6.869 -5.177) 9.692 4.518 ( -1.799 -3.098 0.310) 3.596 4.704 ( -2.399 4.592 0.605) 5.216 4.753 ( 5.130 -1.680 -2.962) 6.157 4.914 ( -1.155 2.785 6.516) 7.180 5.470 ( 2.032 2.656 -4.551) 5.648 5.601 ( 2.428 1.086 1.523) 3.065 5.680 ( 4.963 -4.391 -2.531) 7.093 5.887 ( -2.737 -3.054 4.941) 6.421 6.299 ( 5.697 -5.192 4.194) 8.775 6.490 ( -1.020 2.813 -0.512) 3.035 6.744 ( 0.655 -4.905 -0.834) 5.018 6.860 ( 0.434 -0.522 2.389) 2.484 7.160 ( -0.363 4.271 -7.960) 9.041 7.404 ( 4.002 1.047 0.856) 4.224 7.736 ( 4.935 -6.028 -4.188) 8.845 8.029 ( -4.512 -9.656 -5.231) 11.873 8.439 ( 3.424 1.519 -4.642) 5.965 9.485 ( -16.336 13.308 2.266) 21.192 10.073 ( 0.217 0.913 0.641) 1.136 10.540 ( 4.218 -2.833 0.824) 5.148 19.070 ( -0.257 -1.446 0.895) 1.720 19.237 ( 0.491 -1.055 -0.355) 1.216 19.290 ( -0.690 -0.555 -0.909) 1.269 19.395 ( -0.001 2.637 0.811) 2.758 21.464 ( -4.680 4.304 -0.777) 6.406 21.566 ( -2.078 0.964 -0.465) 2.337 21.813 ( 0.732 0.936 -0.236) 1.212 22.052 ( -1.437 1.536 -0.606) 2.189 24.395 ( 1.172 0.877 -0.794) 1.665 24.446 ( 1.081 -0.121 -0.741) 1.316 24.469 ( -0.985 -0.476 -0.412) 1.169 24.517 ( -0.462 -0.294 -0.436) 0.700 32.550 ( 0.064 -0.218 -0.118) 0.256 32.562 ( -0.294 -0.644 1.576) 1.727 32.636 ( 2.518 -1.110 1.837) 3.309 32.823 ( 0.112 0.557 -0.153) 0.588 41.275 ( 6.983 22.973 26.800) 35.983 41.566 ( 1.322 7.310 3.690) 8.295 41.883 ( 0.634 4.000 4.982) 6.420 42.044 ( -2.365 0.890 -0.248) 2.540 45.571 ( -4.680 -7.527 2.931) 9.336 45.745 ( 3.421 -0.524 1.034) 3.612 45.991 ( 12.400 -0.049 -0.616) 12.415 48.252 ( -23.046 -30.929 -16.925) 42.121 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 8.748 -6.484 6.234) 12.547 1.407 ( 10.423 -9.759 5.841) 15.426 1.884 ( -6.922 1.496 -1.294) 7.199 2.214 ( -5.884 -1.713 2.665) 6.682 2.411 ( 3.974 -5.556 2.589) 7.305 2.684 ( 1.468 7.479 -4.541) 8.872 3.084 ( 2.543 -4.564 -3.281) 6.169 3.277 ( -0.990 -5.015 -6.189) 8.027 3.515 ( 9.961 0.233 9.265) 13.606 3.588 ( 10.711 -8.212 0.524) 13.507 3.662 ( 0.665 -4.904 -3.847) 6.268 3.992 ( 1.757 0.457 0.385) 1.856 4.056 ( -0.895 -4.700 0.910) 4.870 4.122 ( 9.040 -1.202 -1.863) 9.308 4.266 ( -2.973 -4.293 -5.186) 7.359 4.291 ( -0.399 -6.989 -2.138) 7.319 4.505 ( -0.607 6.321 0.981) 6.425 4.635 ( -4.844 -4.929 -0.804) 6.958 4.862 ( 6.300 -1.243 -2.529) 6.902 4.906 ( -2.027 0.193 5.619) 5.976 5.394 ( -0.348 4.011 -2.591) 4.788 5.659 ( 4.025 0.154 -1.375) 4.256 5.807 ( 2.505 -6.184 -0.390) 6.683 5.897 ( -1.878 -0.382 4.184) 4.602 6.433 ( 0.746 3.130 -1.896) 3.735 6.488 ( 3.122 -6.242 5.498) 8.885 6.816 ( 1.201 -4.514 -0.880) 4.753 6.897 ( 2.241 -0.075 2.123) 3.088 7.050 ( -2.230 3.922 -3.818) 5.910 7.445 ( 2.478 0.863 0.601) 2.692 7.872 ( 4.149 -5.287 -0.926) 6.784 8.053 ( -2.166 -4.816 -2.999) 6.073 8.483 ( 7.837 -0.901 -5.487) 9.610 9.059 ( -17.910 13.152 2.286) 22.338 10.075 ( 0.421 0.208 0.500) 0.686 10.615 ( 1.979 -1.143 0.321) 2.308 19.084 ( -0.447 -0.765 0.787) 1.185 19.261 ( 0.585 -0.700 0.041) 0.913 19.283 ( -0.501 -1.592 -1.810) 2.462 19.365 ( 0.134 2.796 1.302) 3.087 21.333 ( -3.918 3.693 -0.755) 5.437 21.517 ( -1.870 1.165 -0.187) 2.211 21.820 ( 0.867 0.112 -0.131) 0.883 22.022 ( -0.329 0.705 -0.312) 0.838 24.399 ( 0.803 0.462 -0.103) 0.932 24.446 ( -0.326 -0.151 -1.242) 1.293 24.471 ( 0.396 -0.042 0.951) 1.031 24.510 ( -0.520 -0.262 -0.563) 0.810 32.554 ( 0.207 0.001 0.009) 0.207 32.570 ( -0.409 -0.532 0.435) 0.800 32.704 ( 2.510 -1.618 1.798) 3.486 32.807 ( -0.639 0.988 -0.629) 1.334 41.229 ( 1.661 8.604 9.758) 13.116 41.509 ( -0.161 3.847 0.540) 3.888 41.889 ( 2.457 4.501 8.934) 10.301 41.988 ( -2.849 -1.155 -6.112) 6.842 45.600 ( -2.251 -3.375 1.123) 4.209 45.807 ( 2.158 -0.584 1.834) 2.892 46.163 ( 7.856 -1.919 -0.387) 8.097 48.221 ( -10.016 -12.778 -8.060) 18.126 ======================= Grid point 4 (5/150) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 -0.000 -0.000) 0.000 1.592 ( 0.000 -0.000 -0.000) 0.000 1.796 ( 0.000 -0.000 0.000) 0.000 2.182 ( 0.000 -0.000 0.000) 0.000 2.538 ( 0.000 -0.000 -0.000) 0.000 2.577 ( 0.000 0.000 -0.000) 0.000 3.117 ( 0.000 -0.000 -0.000) 0.000 3.263 ( 0.000 -0.000 -0.000) 0.000 3.585 ( 0.000 -0.000 -0.000) 0.000 3.663 ( 0.000 -0.000 0.000) 0.000 3.799 ( -0.000 0.000 0.000) 0.000 4.038 ( 0.000 -0.000 0.000) 0.000 4.064 ( 0.000 -0.000 -0.000) 0.000 4.212 ( -0.000 -0.000 0.000) 0.000 4.226 ( 0.000 -0.000 -0.000) 0.000 4.393 ( -0.000 0.000 0.000) 0.000 4.396 ( 0.000 -0.000 -0.000) 0.000 4.643 ( 0.000 -0.000 0.000) 0.000 4.901 ( 0.000 0.000 -0.000) 0.000 4.909 ( -0.000 -0.000 0.000) 0.000 5.361 ( 0.000 -0.000 -0.000) 0.000 5.686 ( 0.000 -0.000 -0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 -0.000 -0.000) 0.000 6.411 ( 0.000 -0.000 0.000) 0.000 6.571 ( 0.000 0.000 -0.000) 0.000 6.867 ( 0.000 -0.000 0.000) 0.000 6.933 ( 0.000 -0.000 0.000) 0.000 6.980 ( -0.000 0.000 -0.000) 0.000 7.459 ( 0.000 -0.000 -0.000) 0.000 7.946 ( 0.000 -0.000 0.000) 0.000 8.057 ( 0.000 -0.000 -0.000) 0.000 8.662 ( 0.000 -0.000 -0.000) 0.000 8.697 ( -0.000 0.000 0.000) 0.000 10.079 ( 0.000 -0.000 -0.000) 0.000 10.637 ( 0.000 -0.000 0.000) 0.000 19.087 ( 0.000 -0.000 -0.000) 0.000 19.264 ( 0.000 -0.000 0.000) 0.000 19.296 ( 0.000 -0.000 -0.000) 0.000 19.347 ( 0.000 0.000 0.000) 0.000 21.273 ( 0.000 -0.000 -0.000) 0.000 21.492 ( 0.000 -0.000 0.000) 0.000 21.826 ( 0.000 -0.000 -0.000) 0.000 22.015 ( 0.000 -0.000 -0.000) 0.000 24.402 ( 0.000 -0.000 -0.000) 0.000 24.440 ( 0.000 -0.000 -0.000) 0.000 24.479 ( 0.000 0.000 -0.000) 0.000 24.505 ( 0.000 0.000 0.000) 0.000 32.556 ( 0.000 0.000 -0.000) 0.000 32.571 ( -0.000 -0.000 0.000) 0.000 32.758 ( 0.000 -0.000 0.000) 0.000 32.776 ( 0.000 -0.000 -0.000) 0.000 41.210 ( 0.000 -0.000 0.000) 0.000 41.481 ( 0.000 -0.000 -0.000) 0.000 41.928 ( 0.000 -0.000 0.000) 0.000 41.932 ( 0.000 -0.000 0.000) 0.000 45.608 ( 0.000 0.000 -0.000) 0.000 45.833 ( 0.000 -0.000 -0.000) 0.000 46.239 ( 0.000 -0.000 -0.000) 0.000 48.207 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/150) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 21.436 -0.000 14.919) 26.116 1.200 ( 28.491 -0.000 8.957) 29.866 1.472 ( 42.234 -0.000 5.535) 42.595 2.145 ( -2.147 0.000 -4.276) 4.785 2.328 ( 4.912 -0.000 3.071) 5.792 2.423 ( 7.660 -0.000 7.321) 10.596 2.661 ( 8.785 -0.000 -0.616) 8.806 3.236 ( 5.772 -0.000 -7.952) 9.826 3.271 ( 4.642 -0.000 -6.540) 8.020 3.473 ( -1.429 0.000 -5.614) 5.793 3.683 ( -2.017 0.000 2.439) 3.165 3.790 ( -1.208 0.000 -1.302) 1.776 3.935 ( 9.384 -0.000 -3.643) 10.066 3.976 ( 12.025 -0.000 2.992) 12.392 4.061 ( -2.108 0.000 -1.768) 2.751 4.175 ( -3.337 0.000 0.543) 3.380 4.464 ( -5.748 0.000 -5.233) 7.773 4.663 ( 3.206 -0.000 -2.076) 3.819 4.745 ( -4.369 0.000 -0.739) 4.431 5.071 ( -0.444 0.000 6.076) 6.092 5.485 ( 6.949 -0.000 4.048) 8.042 5.645 ( -0.470 0.000 -5.527) 5.547 5.688 ( 1.490 -0.000 8.898) 9.021 5.782 ( 2.635 -0.000 -2.392) 3.559 6.231 ( 3.146 -0.000 2.083) 3.773 6.553 ( 0.095 -0.000 0.878) 0.883 6.656 ( 0.276 -0.000 -0.922) 0.963 6.863 ( 1.062 -0.000 4.233) 4.364 7.216 ( 5.672 -0.000 -20.721) 21.483 7.389 ( 3.570 -0.000 -0.823) 3.664 7.648 ( 7.088 -0.000 -9.870) 12.151 7.833 ( 1.984 -0.000 6.352) 6.654 8.462 ( 2.902 -0.000 -4.934) 5.724 9.714 ( -18.241 0.000 -0.675) 18.254 10.093 ( -0.279 0.000 0.979) 1.018 10.495 ( 7.906 -0.000 -0.586) 7.927 19.050 ( 0.551 -0.000 0.687) 0.881 19.219 ( 0.233 -0.000 -0.630) 0.672 19.283 ( -0.429 0.000 -0.756) 0.869 19.440 ( -0.084 0.000 1.354) 1.357 21.553 ( -3.376 0.000 -0.867) 3.486 21.554 ( -1.831 0.000 0.175) 1.839 21.819 ( -2.321 0.000 0.165) 2.327 22.058 ( -3.533 0.000 -0.307) 3.546 24.427 ( 1.785 0.000 -4.206) 4.569 24.427 ( 0.082 0.000 -0.734) 0.739 24.458 ( 0.087 -0.000 0.933) 0.937 24.513 ( -0.505 0.000 -0.177) 0.535 32.540 ( 0.618 -0.000 -0.358) 0.714 32.568 ( -0.856 0.000 3.393) 3.499 32.611 ( 1.518 -0.000 1.399) 2.065 32.829 ( 0.062 -0.000 -0.201) 0.210 41.523 ( -4.496 0.000 -5.224) 6.893 41.781 ( -8.153 0.000 -1.056) 8.221 41.977 ( 1.122 -0.000 -4.748) 4.878 42.459 ( -28.577 0.000 76.032) 81.225 45.435 ( -3.123 0.000 1.890) 3.650 45.548 ( -6.301 0.000 -6.161) 8.813 46.024 ( 13.248 -0.000 1.589) 13.343 47.532 ( 24.072 -0.000 -19.043) 30.694 ======================= Grid point 11 (7/150) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 16.598 -1.910 10.815) 19.903 1.479 ( 22.002 10.008 8.950) 25.775 1.956 ( 5.795 3.140 -3.006) 7.244 2.178 ( 7.528 -0.392 3.291) 8.225 2.437 ( 11.355 6.245 3.567) 13.441 2.657 ( 14.161 -12.411 0.939) 18.853 2.861 ( 3.443 -5.846 -5.064) 8.466 3.269 ( 5.173 2.913 -5.604) 8.164 3.343 ( 3.267 -7.023 1.057) 7.817 3.463 ( 8.478 0.197 -2.003) 8.713 3.660 ( 4.299 -0.199 -1.082) 4.438 3.871 ( 0.424 -8.206 -0.197) 8.220 3.979 ( -2.139 0.389 -4.996) 5.449 4.085 ( 2.802 -1.002 -2.965) 4.201 4.142 ( 7.886 -2.032 1.786) 8.337 4.187 ( 3.289 -2.286 -3.133) 5.085 4.373 ( -5.805 -6.429 -3.649) 9.399 4.666 ( -4.303 0.872 -1.505) 4.641 4.734 ( 3.272 -3.771 -1.516) 5.217 5.075 ( 4.365 5.551 1.986) 7.336 5.543 ( 1.381 5.911 -1.303) 6.208 5.669 ( 4.340 -3.785 2.999) 6.492 5.721 ( 3.427 4.165 2.766) 6.061 5.851 ( 0.036 -3.648 5.819) 6.868 6.329 ( 3.525 -4.046 5.101) 7.404 6.531 ( 0.863 3.324 -1.379) 3.700 6.693 ( 1.622 -3.694 -0.514) 4.067 6.910 ( 2.676 0.752 4.613) 5.386 7.158 ( -0.475 2.951 -8.399) 8.915 7.435 ( 0.984 -1.455 -0.914) 1.980 7.742 ( 9.633 -3.350 -11.153) 15.113 7.930 ( 1.908 -3.182 6.328) 7.336 8.489 ( 5.584 0.492 -6.248) 8.394 9.370 ( -18.580 8.016 -1.673) 20.304 10.091 ( 0.133 0.702 1.071) 1.288 10.598 ( 5.780 -0.299 -1.581) 6.000 19.069 ( 0.962 -0.326 0.898) 1.356 19.224 ( 0.295 -1.022 -1.325) 1.699 19.272 ( -0.587 -0.043 -0.429) 0.728 19.434 ( -0.140 1.819 1.674) 2.476 21.453 ( -3.985 4.497 -0.949) 6.083 21.535 ( -2.293 -0.313 0.410) 2.351 21.787 ( -2.986 -1.698 0.007) 3.435 22.004 ( -4.159 -1.296 -0.132) 4.359 24.412 ( -0.136 0.488 -0.664) 0.835 24.437 ( 0.513 -0.512 -2.149) 2.268 24.472 ( 0.810 0.069 1.269) 1.507 24.504 ( -0.635 -0.167 -0.328) 0.734 32.554 ( 1.094 -0.217 -0.274) 1.149 32.569 ( -0.228 0.665 1.947) 2.070 32.655 ( 1.623 -1.728 1.527) 2.820 32.821 ( -0.756 0.186 -0.697) 1.045 41.398 ( -5.640 2.448 -4.954) 7.896 41.621 ( -7.798 2.782 -2.579) 8.671 41.956 ( -0.268 0.401 -4.122) 4.150 42.279 ( -9.833 19.769 39.887) 45.591 45.408 ( -6.001 -5.311 3.755) 8.850 45.549 ( -8.576 -16.069 -5.528) 19.035 46.239 ( 16.979 3.416 -0.053) 17.319 47.899 ( 19.571 -8.653 -9.086) 23.248 ======================= Grid point 12 (8/150) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 8.470 0.721 5.825) 10.305 1.713 ( 14.051 3.405 7.139) 16.124 1.936 ( 8.514 9.257 -3.396) 13.027 2.236 ( 6.254 6.758 1.838) 9.389 2.501 ( 4.717 4.306 3.660) 7.361 2.808 ( 2.852 9.458 -3.890) 10.617 2.968 ( 2.420 -13.417 -5.008) 14.524 3.206 ( -1.291 2.271 -6.220) 6.746 3.551 ( 0.613 -8.135 7.889) 11.348 3.659 ( 5.370 -0.019 -3.459) 6.388 3.736 ( 8.436 -2.016 -0.804) 8.711 3.968 ( -1.632 -4.419 -0.913) 4.798 4.010 ( 6.983 -4.183 -1.310) 8.244 4.116 ( 2.987 -5.596 -3.881) 7.436 4.191 ( -2.726 -3.223 -1.240) 4.400 4.276 ( 3.869 -0.799 1.056) 4.090 4.447 ( 1.698 -6.424 0.888) 6.703 4.576 ( -0.670 3.251 -3.493) 4.818 4.823 ( 1.044 -3.940 0.902) 4.175 5.088 ( 7.826 7.079 -2.327) 10.807 5.466 ( 1.209 6.278 -0.970) 6.466 5.715 ( 0.605 2.082 0.083) 2.169 5.799 ( 2.691 -2.719 4.680) 6.045 5.922 ( 2.238 0.349 6.624) 7.001 6.411 ( -3.125 -1.284 3.716) 5.022 6.537 ( 4.845 -0.250 -1.349) 5.035 6.792 ( 3.922 -4.702 -0.174) 6.125 6.965 ( 3.269 1.775 3.361) 5.013 7.049 ( -2.797 4.050 -2.924) 5.725 7.439 ( -1.998 -1.536 -1.618) 2.995 7.878 ( 9.091 -3.571 -10.477) 14.324 8.028 ( 2.176 -1.791 7.163) 7.698 8.567 ( 9.531 -1.268 -6.183) 11.432 8.962 ( -17.494 11.001 0.116) 20.666 10.091 ( 0.452 0.808 0.719) 1.172 10.654 ( 3.478 0.995 -1.541) 3.932 19.091 ( 1.269 0.273 0.773) 1.511 19.242 ( 0.434 -2.191 -1.839) 2.893 19.264 ( -0.429 -0.033 0.198) 0.474 19.409 ( -0.464 2.686 1.762) 3.246 21.335 ( -2.348 4.261 -0.761) 4.924 21.504 ( -1.551 0.627 0.612) 1.782 21.774 ( -3.434 -3.470 -0.290) 4.890 21.972 ( -3.926 -2.869 0.276) 4.871 24.400 ( -0.834 -0.167 -0.404) 0.942 24.439 ( 0.589 -0.035 -0.820) 1.011 24.483 ( -0.016 0.283 0.151) 0.321 24.502 ( 0.287 -0.255 0.479) 0.614 32.566 ( 0.180 0.776 0.958) 1.246 32.572 ( 1.063 0.072 0.024) 1.066 32.713 ( 1.364 -2.340 1.227) 2.973 32.792 ( -1.971 0.412 -1.376) 2.439 41.252 ( -5.867 2.189 -5.195) 8.137 41.483 ( -5.329 0.058 -3.598) 6.430 41.908 ( -2.342 0.440 -4.370) 4.977 42.145 ( -1.697 13.110 22.226) 25.860 45.426 ( -7.875 -9.301 4.563) 13.013 45.594 ( -9.950 -16.000 -5.658) 19.672 46.412 ( 16.133 8.834 -1.187) 18.431 48.213 ( 19.871 0.323 -2.285) 20.005 ======================= Grid point 13 (9/150) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.948 6.416 -0.554) 6.509 1.877 ( 8.396 0.585 2.126) 8.681 1.923 ( 15.365 20.492 -0.849) 25.627 2.235 ( 3.618 3.700 -1.397) 5.361 2.541 ( 2.172 -2.308 1.168) 3.378 2.689 ( 2.877 12.537 -0.421) 12.870 3.114 ( -0.247 0.122 2.096) 2.114 3.172 ( 1.772 -9.802 -6.689) 11.998 3.563 ( -4.569 1.726 -0.593) 4.920 3.679 ( 2.286 0.164 2.201) 3.177 3.866 ( 3.474 0.611 0.291) 3.539 3.945 ( -5.516 0.419 -1.932) 5.859 4.082 ( -2.322 -5.119 -5.318) 7.738 4.115 ( -9.297 -0.140 3.698) 10.006 4.249 ( 5.588 -1.683 -2.716) 6.437 4.380 ( 5.440 0.426 5.988) 8.102 4.473 ( 1.063 4.652 0.402) 4.789 4.624 ( 5.621 -3.608 0.397) 6.691 4.873 ( 0.034 -1.846 0.151) 1.852 5.072 ( 7.565 9.645 -4.937) 13.215 5.412 ( 1.543 4.906 -0.206) 5.147 5.680 ( -3.481 1.502 3.427) 5.110 5.869 ( 1.675 -1.031 1.215) 2.312 5.968 ( 2.654 4.018 4.510) 6.598 6.384 ( -2.509 -0.705 1.852) 3.197 6.579 ( 0.490 0.474 -2.476) 2.568 6.877 ( 1.358 -0.128 -0.398) 1.421 6.923 ( -2.196 2.272 -1.666) 3.572 7.030 ( 2.867 2.016 3.601) 5.025 7.404 ( -4.235 -2.052 -2.376) 5.272 7.961 ( 6.104 1.105 -9.029) 10.955 8.119 ( 2.629 -0.151 7.439) 7.891 8.595 ( -13.076 7.640 3.519) 15.547 8.783 ( 14.708 -6.800 -4.285) 16.761 10.086 ( 0.104 1.035 0.130) 1.048 10.662 ( 1.628 2.325 -1.393) 3.162 19.107 ( 1.740 0.992 -0.183) 2.011 19.262 ( -0.400 -0.229 0.239) 0.519 19.275 ( 0.818 -2.579 -0.978) 2.877 19.369 ( -1.064 2.890 1.602) 3.471 21.292 ( 1.655 0.729 0.001) 1.809 21.493 ( 0.202 -0.426 0.479) 0.673 21.765 ( -4.151 -3.907 -0.226) 5.705 21.960 ( -3.832 -3.761 0.606) 5.404 24.387 ( -1.076 -0.427 -0.306) 1.197 24.446 ( 0.252 -0.087 0.362) 0.449 24.474 ( -0.158 0.156 -0.806) 0.836 24.516 ( 0.672 0.141 0.964) 1.184 32.562 ( 0.071 0.654 0.718) 0.974 32.585 ( 1.287 0.618 -0.163) 1.437 32.735 ( -2.888 0.821 -2.019) 3.619 32.765 ( 0.439 -2.212 0.703) 2.362 41.109 ( -6.617 -0.386 -9.650) 11.707 41.423 ( -3.426 -3.054 -2.568) 5.259 41.843 ( -2.498 -0.145 -3.300) 4.142 42.106 ( 1.056 7.498 13.533) 15.508 45.457 ( -8.482 -10.404 4.197) 14.064 45.607 ( -9.983 -13.792 -6.016) 18.058 46.450 ( 10.903 15.610 -1.917) 19.137 48.483 ( 22.829 7.066 3.798) 24.197 ======================= Grid point 14 (10/150) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -7.388 12.177 -7.238) 15.977 1.755 ( 10.895 32.157 -1.127) 33.971 2.026 ( 9.543 0.008 1.543) 9.667 2.287 ( 4.290 -3.938 -2.338) 6.275 2.574 ( 6.634 14.904 1.609) 16.393 2.641 ( 3.910 -2.192 1.065) 4.607 3.077 ( -4.419 -0.013 3.782) 5.816 3.294 ( -0.255 -5.162 -5.668) 7.671 3.421 ( -4.393 11.098 0.080) 11.936 3.564 ( -11.538 13.423 -4.195) 18.191 3.755 ( 0.097 5.858 4.338) 7.290 3.900 ( -6.497 -1.769 -1.112) 6.825 4.037 ( -2.001 -1.285 5.842) 6.308 4.119 ( 0.749 -0.796 -5.275) 5.387 4.263 ( -5.882 -7.562 0.487) 9.593 4.411 ( 1.032 7.733 1.382) 7.923 4.457 ( 4.646 3.090 6.632) 8.667 4.730 ( 3.030 0.075 1.523) 3.392 4.820 ( -1.864 6.877 -5.001) 8.705 5.052 ( 7.356 7.711 -2.787) 11.016 5.394 ( 1.065 0.153 1.648) 1.969 5.611 ( -5.858 1.216 4.459) 7.462 5.883 ( -0.006 6.280 2.397) 6.722 5.938 ( 2.747 3.636 -2.440) 5.169 6.387 ( -2.253 -1.177 4.517) 5.183 6.490 ( -2.845 4.138 -7.112) 8.706 6.825 ( -3.138 1.432 -1.034) 3.601 6.921 ( 3.413 2.390 0.515) 4.198 7.066 ( 1.228 -0.523 3.783) 4.011 7.348 ( -5.235 -2.666 -2.890) 6.547 7.927 ( 2.131 7.515 -4.950) 9.248 8.183 ( 2.658 2.058 7.149) 7.900 8.413 ( -6.552 0.712 4.737) 8.117 9.141 ( 16.754 -12.226 -2.782) 20.926 10.070 ( -0.316 0.894 -0.304) 0.995 10.628 ( 0.075 3.732 -1.349) 3.969 19.115 ( 1.948 1.739 -1.045) 2.813 19.254 ( -0.880 0.074 0.040) 0.884 19.323 ( 1.787 -1.121 0.704) 2.224 19.326 ( -1.535 0.691 0.647) 1.804 21.362 ( 4.988 -2.860 0.610) 5.782 21.523 ( 1.248 -1.827 0.110) 2.215 21.751 ( -4.237 -3.863 0.178) 5.737 21.965 ( -3.140 -4.718 0.818) 5.726 24.377 ( -1.013 -0.566 -0.044) 1.161 24.445 ( -0.853 -0.067 0.421) 0.953 24.475 ( 0.851 0.013 -0.355) 0.922 24.526 ( 0.518 0.358 0.809) 1.025 32.558 ( 0.089 0.555 0.152) 0.582 32.590 ( 0.930 1.156 -0.198) 1.497 32.663 ( -3.348 0.968 -2.157) 4.098 32.795 ( -0.146 -1.610 0.226) 1.632 40.940 ( -10.278 -2.920 -16.993) 20.073 41.426 ( -2.233 -5.128 -0.817) 5.652 41.821 ( -0.380 -1.803 -1.268) 2.236 42.108 ( 1.523 4.619 8.245) 9.572 45.489 ( -7.988 -10.463 3.109) 13.526 45.600 ( -7.830 -10.820 -5.625) 14.493 46.309 ( 4.170 21.072 -1.743) 21.551 48.766 ( 26.391 10.847 8.653) 29.816 ======================= Grid point 15 (11/150) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -8.435 17.208 -8.707) 21.049 1.447 ( 10.693 37.359 -0.298) 38.861 2.166 ( 6.180 2.209 3.910) 7.640 2.358 ( 3.505 4.250 -2.882) 6.217 2.450 ( -3.013 28.263 -3.248) 28.609 2.615 ( 5.296 7.633 0.864) 9.330 2.973 ( -10.187 6.074 2.025) 12.032 3.098 ( -2.788 2.461 0.738) 3.791 3.271 ( -5.257 10.804 -0.895) 12.048 3.319 ( -3.933 -3.489 -2.896) 6.002 3.609 ( -7.412 10.645 3.523) 13.441 3.861 ( -1.144 -1.029 5.802) 6.002 3.994 ( -0.977 2.529 -7.580) 8.050 4.140 ( 3.365 3.052 3.902) 5.988 4.310 ( 1.484 6.728 4.005) 7.970 4.365 ( -2.632 -9.195 -1.326) 9.656 4.516 ( -1.552 -0.125 0.366) 1.599 4.623 ( -0.523 8.560 -0.931) 8.627 4.748 ( -0.670 0.753 -0.187) 1.025 5.025 ( 5.181 8.217 -3.155) 10.213 5.434 ( -2.653 -1.388 4.822) 5.676 5.553 ( -1.992 -1.759 1.141) 2.892 5.732 ( -2.190 11.388 0.074) 11.597 5.951 ( 3.414 1.923 -2.186) 4.487 6.271 ( -4.791 5.992 -2.041) 7.939 6.483 ( 1.656 -2.676 0.316) 3.163 6.758 ( -2.402 1.576 -0.721) 2.962 6.919 ( 2.873 5.298 -0.159) 6.029 7.144 ( 0.726 -4.889 5.542) 7.426 7.294 ( -4.405 -3.109 -3.318) 6.331 7.805 ( -0.672 9.258 -0.376) 9.290 8.243 ( 4.405 2.011 7.177) 8.658 8.393 ( -1.808 -2.434 2.484) 3.920 9.516 ( 11.616 -12.666 -2.316) 17.341 10.057 ( -0.303 -0.154 -0.312) 0.462 10.551 ( -1.054 5.694 -1.243) 5.923 19.102 ( 0.864 2.684 -0.898) 2.959 19.241 ( -0.245 0.279 0.219) 0.431 19.299 ( -0.851 0.301 -0.004) 0.902 19.377 ( 1.511 -1.839 0.823) 2.519 21.486 ( 4.165 -3.388 0.468) 5.389 21.562 ( 0.014 -2.186 -0.231) 2.198 21.754 ( -2.189 -4.190 0.621) 4.768 22.007 ( -0.944 -5.870 0.768) 5.995 24.372 ( -0.805 -0.629 0.274) 1.058 24.433 ( -0.764 0.127 0.074) 0.778 24.489 ( 0.742 -0.239 0.360) 0.858 24.531 ( 0.313 0.442 0.530) 0.758 32.546 ( -0.811 0.453 -1.683) 1.923 32.576 ( -0.263 1.538 0.246) 1.579 32.604 ( -1.178 0.881 -0.890) 1.719 32.808 ( -0.321 -1.049 -0.015) 1.097 40.673 ( -15.586 -1.939 -22.380) 27.341 41.477 ( -0.800 -6.066 0.407) 6.132 41.857 ( 0.984 -2.785 0.106) 2.955 42.110 ( 1.032 3.204 3.623) 4.945 45.531 ( -5.375 -9.853 1.594) 11.336 45.607 ( -3.644 -7.673 -4.006) 9.391 46.035 ( -0.816 22.349 -0.423) 22.368 49.089 ( 27.531 9.689 10.793) 31.118 ======================= Grid point 16 (12/150) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 0.000 21.387 0.000) 21.387 1.078 ( 0.000 38.471 0.000) 38.471 1.613 ( 0.000 57.673 0.000) 57.673 2.287 ( 0.000 6.798 0.000) 6.798 2.315 ( -0.000 -1.845 -0.000) 1.845 2.541 ( 0.000 24.719 0.000) 24.719 2.758 ( 0.000 3.458 0.000) 3.458 3.107 ( 0.000 2.582 0.000) 2.582 3.224 ( -0.000 -13.192 -0.000) 13.192 3.353 ( -0.000 -6.531 -0.000) 6.531 3.411 ( 0.000 9.612 0.000) 9.612 3.897 ( 0.000 2.774 0.000) 2.774 3.920 ( -0.000 -0.301 -0.000) 0.301 4.084 ( 0.000 10.006 0.000) 10.006 4.248 ( 0.000 11.061 0.000) 11.061 4.306 ( 0.000 10.157 0.000) 10.157 4.481 ( -0.000 -7.820 -0.000) 7.820 4.702 ( -0.000 -9.982 -0.000) 9.982 4.733 ( -0.000 -0.667 -0.000) 0.667 4.955 ( 0.000 7.580 0.000) 7.580 5.396 ( 0.000 2.000 0.000) 2.000 5.565 ( 0.000 9.878 0.000) 9.878 5.610 ( -0.000 -5.483 -0.000) 5.483 5.947 ( 0.000 2.543 0.000) 2.543 6.154 ( 0.000 4.693 0.000) 4.693 6.528 ( -0.000 -1.368 -0.000) 1.368 6.711 ( 0.000 2.307 0.000) 2.307 6.883 ( 0.000 3.125 0.000) 3.125 7.244 ( -0.000 -4.665 -0.000) 4.665 7.277 ( -0.000 -2.762 -0.000) 2.762 7.689 ( 0.000 6.802 0.000) 6.802 8.322 ( -0.000 -1.218 -0.000) 1.218 8.421 ( -0.000 -2.243 -0.000) 2.243 9.745 ( -0.000 -9.016 -0.000) 9.016 10.072 ( -0.000 -2.851 -0.000) 2.851 10.447 ( 0.000 7.401 0.000) 7.401 19.069 ( 0.000 2.483 0.000) 2.483 19.242 ( 0.000 0.043 0.000) 0.043 19.291 ( -0.000 -0.176 -0.000) 0.176 19.415 ( -0.000 -1.340 -0.000) 1.340 21.549 ( -0.000 -1.772 -0.000) 1.772 21.586 ( -0.000 -1.953 -0.000) 1.953 21.799 ( -0.000 -3.814 -0.000) 3.814 22.085 ( -0.000 -5.444 -0.000) 5.444 24.372 ( -0.000 -0.464 -0.000) 0.464 24.424 ( 0.000 0.231 0.000) 0.231 24.502 ( -0.000 -0.467 -0.000) 0.467 24.529 ( 0.000 0.407 0.000) 0.407 32.516 ( 0.000 0.774 0.000) 0.774 32.561 ( 0.000 0.914 0.000) 0.914 32.583 ( 0.000 0.918 0.000) 0.918 32.816 ( -0.000 -0.625 -0.000) 0.625 40.377 ( 0.000 5.907 0.000) 5.907 41.551 ( -0.000 -5.259 -0.000) 5.259 41.903 ( -0.000 -2.380 -0.000) 2.380 42.091 ( 0.000 2.242 0.000) 2.242 45.611 ( -0.000 -7.578 -0.000) 7.578 45.660 ( -0.000 -6.065 -0.000) 6.065 45.738 ( 0.000 19.122 0.000) 19.122 49.354 ( 0.000 0.115 0.000) 0.115 ======================= Grid point 19 (13/150) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 12.078 -0.000 9.258) 15.218 1.743 ( 6.803 -0.000 8.321) 10.748 2.032 ( 3.607 -0.000 -6.014) 7.013 2.508 ( 16.603 -0.000 0.245) 16.604 2.626 ( 5.675 -0.000 -6.376) 8.536 2.797 ( 2.672 -0.000 -2.890) 3.936 2.816 ( 11.431 -0.000 8.151) 14.040 3.244 ( 0.121 -0.000 -1.488) 1.493 3.494 ( 15.440 -0.000 -4.832) 16.179 3.504 ( -5.731 0.000 7.099) 9.124 3.718 ( 10.453 -0.000 -4.794) 11.500 3.892 ( -0.629 0.000 -9.925) 9.945 3.945 ( 10.456 -0.000 6.534) 12.329 4.021 ( 1.364 -0.000 -6.539) 6.680 4.163 ( -7.700 0.000 -6.118) 9.834 4.277 ( 2.118 -0.000 5.342) 5.747 4.343 ( 14.743 -0.000 -2.040) 14.884 4.616 ( -1.681 0.000 -0.125) 1.686 4.753 ( 4.069 -0.000 -4.327) 5.940 5.189 ( 5.643 -0.000 0.954) 5.723 5.582 ( -0.076 0.000 -3.892) 3.893 5.712 ( 3.958 -0.000 2.861) 4.883 5.806 ( -0.800 0.000 0.953) 1.245 5.914 ( 5.299 -0.000 14.066) 15.031 6.370 ( 0.787 -0.000 5.780) 5.833 6.567 ( 3.087 -0.000 -3.453) 4.631 6.700 ( 3.106 -0.000 0.440) 3.137 6.994 ( 3.672 -0.000 5.888) 6.939 7.119 ( -2.394 0.000 -6.338) 6.775 7.405 ( -2.593 0.000 -1.272) 2.888 7.825 ( 12.451 -0.000 -12.246) 17.464 7.998 ( 3.096 -0.000 7.920) 8.504 8.558 ( 7.886 -0.000 -6.414) 10.165 9.127 ( -18.585 0.000 -2.513) 18.754 10.107 ( 0.529 -0.000 1.175) 1.289 10.670 ( 5.283 -0.000 -2.887) 6.020 19.097 ( 2.049 -0.000 1.269) 2.410 19.210 ( 0.130 -0.000 -2.111) 2.115 19.263 ( -0.615 0.000 0.346) 0.706 19.449 ( -0.564 0.000 1.565) 1.664 21.432 ( -3.136 0.000 -1.216) 3.364 21.499 ( -2.068 0.000 1.188) 2.385 21.710 ( -4.928 0.000 0.116) 4.929 21.917 ( -5.489 0.000 0.175) 5.492 24.397 ( -1.132 0.000 -0.596) 1.279 24.439 ( 0.855 -0.000 -1.174) 1.452 24.490 ( -0.703 0.000 -0.522) 0.875 24.495 ( 1.070 -0.000 1.434) 1.789 32.573 ( 1.613 -0.000 0.044) 1.614 32.584 ( 0.068 -0.000 1.572) 1.573 32.671 ( 1.297 -0.000 1.202) 1.769 32.796 ( -1.943 0.000 -1.449) 2.424 41.284 ( -6.338 0.000 -6.739) 9.251 41.483 ( -8.040 0.000 -5.812) 9.921 41.918 ( -2.287 0.000 -3.750) 4.392 42.403 ( -13.074 0.000 30.429) 33.119 45.236 ( -9.308 0.000 -5.439) 10.781 45.339 ( -4.553 0.000 2.650) 5.269 46.544 ( 19.634 -0.000 -0.745) 19.648 48.218 ( 27.787 -0.000 -3.527) 28.010 ======================= Grid point 20 (14/150) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 6.744 4.532 5.739) 9.948 1.887 ( 7.278 -0.303 4.571) 8.600 2.041 ( 1.348 -1.724 -6.572) 6.927 2.524 ( 2.850 4.004 -1.812) 5.238 2.687 ( 4.689 12.831 0.193) 13.662 2.836 ( 6.877 -10.350 -4.821) 13.328 2.928 ( 2.177 6.103 2.276) 6.868 3.232 ( -1.574 4.803 -1.164) 5.187 3.493 ( -1.619 -4.655 6.035) 7.792 3.716 ( 2.737 2.625 -5.288) 6.507 3.752 ( 7.454 -5.415 -1.967) 9.421 3.899 ( 3.043 -2.337 -4.407) 5.843 3.988 ( -9.420 -1.457 0.328) 9.537 4.133 ( 1.379 -0.957 2.041) 2.642 4.202 ( 16.241 -1.969 -7.662) 18.065 4.353 ( 9.543 -1.401 7.993) 12.527 4.529 ( 9.685 1.925 -0.387) 9.882 4.627 ( 5.120 0.873 -1.059) 5.301 4.793 ( 1.278 -2.565 -3.689) 4.671 5.263 ( 6.809 3.613 0.289) 7.714 5.544 ( 1.288 3.474 -3.062) 4.806 5.742 ( -0.880 3.164 1.116) 3.469 5.823 ( 1.517 -2.498 3.282) 4.394 6.049 ( 4.477 2.061 11.044) 12.094 6.374 ( -3.110 -0.193 2.451) 3.964 6.595 ( 3.344 1.782 -2.167) 4.365 6.798 ( 4.602 -4.400 0.550) 6.391 7.020 ( -3.329 3.299 -3.739) 5.995 7.077 ( 3.506 0.919 5.292) 6.414 7.349 ( -4.863 -1.656 -2.393) 5.667 7.959 ( 12.664 -0.430 -11.694) 17.243 8.087 ( 2.177 -1.249 6.954) 7.393 8.663 ( 9.149 -1.224 -5.111) 10.551 8.818 ( -15.730 5.061 0.244) 16.526 10.118 ( 0.898 0.948 0.825) 1.545 10.716 ( 3.852 1.315 -2.715) 4.893 19.135 ( 2.626 0.970 1.064) 2.995 19.213 ( 0.567 -1.709 -1.756) 2.515 19.257 ( -0.743 -0.130 0.688) 1.021 19.434 ( -1.072 1.539 1.201) 2.227 21.359 ( -1.071 3.566 -0.727) 3.794 21.487 ( -1.386 -0.688 1.065) 1.879 21.653 ( -5.428 -3.238 -0.167) 6.322 21.856 ( -5.648 -3.118 0.519) 6.472 24.378 ( -1.117 -0.202 -0.465) 1.227 24.444 ( 0.243 -0.049 -0.134) 0.282 24.477 ( -0.309 0.072 -0.825) 0.884 24.518 ( 0.918 0.037 1.294) 1.587 32.586 ( 0.080 0.925 1.209) 1.524 32.598 ( 1.746 0.256 0.061) 1.766 32.705 ( 0.736 -1.802 0.832) 2.116 32.749 ( -2.822 0.233 -2.067) 3.506 41.145 ( -6.165 1.653 -6.580) 9.168 41.356 ( -5.636 -1.684 -5.663) 8.165 41.848 ( -3.970 0.228 -3.261) 5.143 42.324 ( -6.918 6.668 18.956) 21.252 45.147 ( -9.734 -10.216 -3.345) 14.502 45.321 ( -4.812 -5.351 1.478) 7.347 46.780 ( 17.739 7.387 -1.258) 19.257 48.600 ( 25.720 2.110 -0.035) 25.807 ======================= Grid point 21 (15/150) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -1.351 11.173 -1.747) 11.389 1.994 ( 5.210 -1.002 -2.405) 5.825 2.102 ( 3.784 -6.003 -0.563) 7.118 2.464 ( -4.469 8.480 1.104) 9.649 2.662 ( 15.752 9.915 0.303) 18.615 2.849 ( -0.016 5.065 0.769) 5.123 3.077 ( 5.688 -7.282 -4.138) 10.124 3.152 ( 0.530 1.449 3.637) 3.951 3.472 ( -4.273 -2.273 -5.260) 7.148 3.732 ( 1.749 0.067 -3.268) 3.707 3.842 ( -6.232 0.313 5.281) 8.175 3.897 ( -5.150 -4.556 5.920) 9.073 3.967 ( 3.171 -0.200 -3.071) 4.419 4.023 ( -2.078 6.827 -1.938) 7.395 4.374 ( 8.511 3.471 -4.131) 10.077 4.561 ( 5.308 3.503 -1.660) 6.573 4.593 ( 8.482 6.195 5.586) 11.897 4.719 ( 7.942 0.355 2.499) 8.334 4.828 ( 0.784 -4.186 -2.892) 5.147 5.290 ( 6.899 8.152 -0.300) 10.684 5.497 ( 1.511 4.842 -2.813) 5.800 5.664 ( -4.557 3.308 3.029) 6.394 5.902 ( 3.203 -1.338 1.802) 3.912 6.103 ( 2.602 5.103 6.531) 8.687 6.349 ( -1.947 -1.172 1.522) 2.736 6.567 ( -2.190 2.364 -2.737) 4.228 6.892 ( 0.086 1.931 -1.828) 2.661 6.918 ( 0.170 -0.118 -0.211) 0.296 7.129 ( 2.661 2.678 3.921) 5.443 7.281 ( -5.493 -2.226 -3.175) 6.724 8.063 ( 10.223 2.571 -10.056) 14.569 8.169 ( 1.729 -1.981 4.362) 5.093 8.517 ( -12.482 6.195 4.876) 14.764 8.876 ( 11.686 -7.630 -2.622) 14.200 10.113 ( 0.627 1.986 0.270) 2.100 10.721 ( 2.384 2.998 -1.952) 4.299 19.157 ( 2.637 1.546 -0.662) 3.128 19.248 ( -0.269 -0.727 0.310) 0.835 19.257 ( 0.768 -1.965 0.608) 2.196 19.392 ( -1.608 2.379 0.717) 2.960 21.335 ( 2.478 0.862 -0.016) 2.624 21.488 ( -0.208 -0.846 0.338) 0.935 21.627 ( -5.319 -4.955 -0.057) 7.270 21.830 ( -5.446 -4.976 0.758) 7.416 24.364 ( -0.931 -0.360 -0.290) 1.039 24.443 ( -0.575 -0.074 0.350) 0.677 24.474 ( 0.455 -0.052 -0.783) 0.907 24.534 ( 0.638 0.228 0.992) 1.201 32.578 ( -0.128 0.904 0.728) 1.167 32.617 ( 1.507 0.779 0.027) 1.696 32.685 ( -2.989 0.685 -2.092) 3.712 32.743 ( 0.142 -2.110 0.332) 2.141 40.981 ( -6.012 3.835 -7.818) 10.582 41.302 ( -3.427 -3.963 -3.479) 6.289 41.780 ( -3.329 -1.261 -1.987) 4.077 42.255 ( -2.232 5.731 10.918) 12.531 45.148 ( -9.123 -13.335 -2.001) 16.280 45.341 ( -4.518 -7.407 0.587) 8.696 46.840 ( 11.872 16.667 -1.638) 20.529 48.931 ( 22.131 3.067 2.877) 22.527 ======================= Grid point 22 (16/150) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -3.846 15.480 -4.388) 16.543 2.076 ( 2.541 -5.020 -1.449) 5.810 2.235 ( -0.926 17.411 0.067) 17.436 2.277 ( 6.883 -4.853 0.601) 8.443 2.780 ( 7.080 4.729 3.068) 9.050 2.847 ( 8.472 3.647 1.971) 9.432 3.041 ( -1.102 5.859 -0.220) 5.965 3.256 ( 2.134 -0.762 -3.487) 4.158 3.491 ( 3.333 -1.945 -5.673) 6.861 3.526 ( -14.614 15.500 -0.013) 21.303 3.718 ( -7.633 -7.922 -1.589) 11.115 3.909 ( 0.992 11.665 -1.299) 11.779 3.962 ( -0.971 -5.480 10.267) 11.679 4.070 ( 3.899 -3.916 3.066) 6.320 4.282 ( -0.964 12.629 -6.691) 14.325 4.541 ( 2.860 6.667 -0.211) 7.257 4.597 ( 1.558 5.198 3.765) 6.604 4.786 ( 0.025 1.828 1.461) 2.340 4.877 ( 4.032 4.187 -2.498) 6.327 5.259 ( 5.002 10.133 0.374) 11.307 5.442 ( 1.753 3.587 -2.474) 4.697 5.566 ( -5.513 2.285 3.777) 7.062 5.966 ( 3.504 0.676 0.608) 3.620 6.050 ( 0.113 9.513 1.552) 9.640 6.373 ( -0.773 -2.368 4.639) 5.265 6.447 ( -3.880 3.707 -5.511) 7.692 6.805 ( -1.855 3.244 -1.539) 4.041 6.988 ( 3.733 -2.387 1.098) 4.565 7.119 ( -0.121 4.396 2.428) 5.023 7.218 ( -4.281 -2.409 -3.124) 5.821 8.067 ( 5.493 9.122 -6.532) 12.492 8.231 ( 0.448 -2.008 3.409) 3.982 8.354 ( -5.981 0.445 5.069) 7.853 9.172 ( 9.389 -12.910 -1.010) 15.995 10.090 ( 0.190 2.339 -0.077) 2.348 10.689 ( 1.035 4.595 -1.063) 4.828 19.168 ( 2.268 1.981 -1.271) 3.268 19.242 ( -0.860 -0.235 0.539) 1.042 19.303 ( 0.019 -0.894 1.213) 1.507 19.348 ( -0.244 0.701 0.013) 0.742 21.405 ( 4.447 -2.352 0.375) 5.045 21.505 ( -0.078 -1.867 -0.485) 1.930 21.624 ( -3.951 -5.364 0.312) 6.669 21.838 ( -3.622 -6.444 0.740) 7.429 24.357 ( -0.571 -0.460 -0.092) 0.739 24.435 ( -0.559 0.051 0.129) 0.576 24.481 ( 0.471 -0.306 -0.217) 0.603 24.542 ( 0.330 0.368 0.554) 0.743 32.563 ( -0.747 0.755 -0.242) 1.089 32.617 ( -0.148 1.450 -0.136) 1.464 32.631 ( -0.549 1.103 -0.900) 1.526 32.769 ( -0.227 -1.868 0.064) 1.882 40.777 ( -5.770 7.004 -7.800) 11.966 41.315 ( -1.723 -5.730 -1.166) 6.096 41.773 ( -0.908 -3.421 -0.537) 3.580 42.216 ( -0.165 4.446 5.058) 6.736 45.202 ( -6.026 -13.769 -1.124) 15.072 45.386 ( -2.987 -7.963 0.120) 8.505 46.685 ( 4.858 24.232 -1.259) 24.746 49.208 ( 15.560 1.436 3.831) 16.089 ======================= Grid point 23 (17/150) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 18.542 0.000) 18.542 1.946 ( 0.000 26.467 0.000) 26.467 2.175 ( -0.000 -6.252 -0.000) 6.252 2.413 ( -0.000 -3.542 -0.000) 3.542 2.833 ( 0.000 4.005 0.000) 4.005 2.856 ( 0.000 2.359 0.000) 2.359 2.911 ( 0.000 37.584 0.000) 37.584 3.063 ( 0.000 1.041 0.000) 1.041 3.257 ( -0.000 -0.553 -0.000) 0.553 3.438 ( 0.000 14.197 0.000) 14.197 3.720 ( 0.000 14.374 0.000) 14.374 3.823 ( -0.000 -10.437 -0.000) 10.437 4.043 ( 0.000 11.992 0.000) 11.992 4.118 ( -0.000 -13.779 -0.000) 13.779 4.178 ( -0.000 -3.588 -0.000) 3.588 4.488 ( 0.000 5.335 0.000) 5.335 4.528 ( 0.000 8.119 0.000) 8.119 4.752 ( 0.000 2.331 0.000) 2.331 4.780 ( 0.000 11.509 0.000) 11.509 5.170 ( 0.000 9.021 0.000) 9.021 5.432 ( 0.000 1.151 0.000) 1.151 5.513 ( -0.000 -0.699 -0.000) 0.699 5.887 ( 0.000 13.331 0.000) 13.331 5.995 ( 0.000 1.028 0.000) 1.028 6.306 ( 0.000 6.369 0.000) 6.369 6.452 ( -0.000 -4.338 -0.000) 4.338 6.753 ( 0.000 1.649 0.000) 1.649 7.030 ( 0.000 6.904 0.000) 6.904 7.100 ( -0.000 -5.669 -0.000) 5.669 7.201 ( -0.000 -2.522 -0.000) 2.522 7.941 ( 0.000 11.585 0.000) 11.585 8.276 ( -0.000 -2.330 -0.000) 2.330 8.351 ( -0.000 -2.577 -0.000) 2.577 9.428 ( -0.000 -13.999 -0.000) 13.999 10.064 ( 0.000 1.539 0.000) 1.539 10.623 ( 0.000 5.950 0.000) 5.950 19.148 ( 0.000 3.089 0.000) 3.089 19.240 ( -0.000 -0.212 -0.000) 0.212 19.293 ( 0.000 0.506 0.000) 0.506 19.371 ( -0.000 -1.819 -0.000) 1.819 21.485 ( -0.000 -2.894 -0.000) 2.894 21.528 ( -0.000 -2.196 -0.000) 2.196 21.666 ( -0.000 -5.865 -0.000) 5.865 21.906 ( -0.000 -7.520 -0.000) 7.520 24.359 ( -0.000 -0.513 -0.000) 0.513 24.430 ( 0.000 0.163 0.000) 0.163 24.490 ( -0.000 -0.458 -0.000) 0.458 24.540 ( 0.000 0.418 0.000) 0.418 32.540 ( 0.000 1.006 0.000) 1.006 32.592 ( 0.000 1.385 0.000) 1.385 32.615 ( 0.000 1.362 0.000) 1.362 32.789 ( -0.000 -1.480 -0.000) 1.480 40.584 ( 0.000 9.355 0.000) 9.355 41.383 ( -0.000 -6.808 -0.000) 6.808 41.819 ( -0.000 -3.896 -0.000) 3.896 42.176 ( 0.000 3.966 0.000) 3.966 45.328 ( -0.000 -13.182 -0.000) 13.182 45.467 ( -0.000 -8.047 -0.000) 8.047 46.372 ( 0.000 26.951 0.000) 26.951 49.351 ( -0.000 -0.525 -0.000) 0.525 ======================= Grid point 28 (18/150) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.518 0.000 -1.339) 1.436 1.990 ( 2.625 -0.000 -3.154) 4.104 2.000 ( 5.835 -0.000 1.047) 5.928 2.461 ( -5.783 0.000 -2.712) 6.388 2.784 ( -0.787 0.000 -1.562) 1.749 2.859 ( 8.929 -0.000 1.553) 9.063 3.080 ( 3.633 -0.000 2.966) 4.690 3.192 ( -5.620 0.000 2.000) 5.965 3.446 ( -2.895 0.000 -3.905) 4.861 3.735 ( 2.227 -0.000 -9.421) 9.680 3.822 ( 3.058 -0.000 4.657) 5.571 3.871 ( -6.090 0.000 10.532) 12.166 3.951 ( 2.669 -0.000 -3.087) 4.081 4.124 ( 3.931 -0.000 -4.804) 6.207 4.406 ( 13.471 -0.000 -3.594) 13.942 4.595 ( 15.673 -0.000 2.297) 15.840 4.702 ( 7.096 -0.000 -1.087) 7.179 4.702 ( 3.801 -0.000 8.466) 9.281 4.781 ( 5.333 -0.000 -8.041) 9.649 5.388 ( 5.476 -0.000 3.472) 6.484 5.564 ( 1.461 -0.000 -4.434) 4.669 5.757 ( -2.565 0.000 0.530) 2.619 5.846 ( 2.987 -0.000 3.190) 4.370 6.179 ( 3.087 -0.000 8.895) 9.416 6.332 ( -2.740 0.000 -0.051) 2.740 6.633 ( -0.353 0.000 -3.190) 3.209 6.836 ( 4.399 -0.000 1.393) 4.615 6.975 ( -2.625 0.000 -2.434) 3.580 7.162 ( 2.927 -0.000 4.718) 5.552 7.247 ( -5.117 0.000 -2.489) 5.691 8.094 ( 13.273 -0.000 -11.913) 17.835 8.131 ( 0.879 -0.000 4.902) 4.980 8.630 ( -13.883 0.000 3.487) 14.314 8.761 ( 7.759 -0.000 -3.317) 8.438 10.145 ( 1.150 -0.000 0.639) 1.316 10.764 ( 3.044 -0.000 -2.499) 3.939 19.198 ( 0.795 -0.000 -2.040) 2.189 19.202 ( 3.666 -0.000 1.932) 4.144 19.246 ( -1.143 0.000 0.932) 1.474 19.427 ( -1.823 0.000 0.330) 1.853 21.373 ( 0.050 -0.000 -0.722) 0.723 21.464 ( -1.050 0.000 0.994) 1.446 21.552 ( -4.911 0.000 0.073) 4.912 21.752 ( -5.376 0.000 0.503) 5.400 24.359 ( -0.892 0.000 -0.339) 0.954 24.442 ( -0.460 0.000 0.277) 0.537 24.473 ( 0.275 -0.000 -0.856) 0.899 24.537 ( 0.696 -0.000 1.054) 1.263 32.595 ( -0.570 0.000 0.796) 0.979 32.627 ( 1.648 -0.000 0.298) 1.675 32.699 ( -2.337 0.000 -2.021) 3.090 32.705 ( 0.355 -0.000 0.380) 0.520 41.049 ( -4.533 0.000 -4.495) 6.383 41.242 ( -3.418 0.000 -5.282) 6.292 41.762 ( -5.105 0.000 -2.679) 5.765 42.344 ( -5.856 0.000 12.056) 13.403 44.945 ( -6.116 0.000 -3.045) 6.832 45.240 ( -3.313 0.000 1.878) 3.808 47.074 ( 14.441 -0.000 -0.891) 14.469 48.966 ( 20.373 -0.000 0.570) 20.381 ======================= Grid point 29 (19/150) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -3.898 5.469 -4.384) 8.020 2.010 ( 1.904 3.378 -1.504) 4.159 2.096 ( 3.382 -4.308 -0.318) 5.487 2.425 ( -2.586 -3.885 0.257) 4.674 2.796 ( 0.826 -1.278 1.834) 2.383 3.012 ( 4.537 -4.931 -0.534) 6.722 3.056 ( 1.873 5.129 3.219) 6.338 3.183 ( 1.875 0.035 0.996) 2.123 3.368 ( -2.631 -0.270 -5.611) 6.203 3.667 ( -3.756 0.810 -4.705) 6.075 3.781 ( -8.734 3.179 3.427) 9.906 3.912 ( 2.074 0.037 7.181) 7.475 3.984 ( 3.516 -1.854 0.209) 3.980 4.167 ( 6.066 5.445 -3.459) 8.855 4.501 ( 3.400 2.993 -1.731) 4.849 4.683 ( 5.195 4.151 -2.375) 7.061 4.754 ( -0.579 0.889 -0.636) 1.237 4.820 ( 6.062 4.558 -1.747) 7.783 4.887 ( 9.269 -1.119 4.867) 10.529 5.461 ( 3.591 3.157 5.046) 6.951 5.543 ( 1.023 2.390 -4.946) 5.587 5.678 ( -2.500 5.582 0.496) 6.136 5.928 ( 2.422 -3.199 1.617) 4.326 6.224 ( 1.494 3.607 4.380) 5.868 6.316 ( -0.289 -1.008 0.137) 1.057 6.544 ( -4.277 3.120 -2.988) 6.079 6.917 ( 1.944 -0.761 -0.429) 2.132 6.919 ( -0.615 1.930 0.167) 2.032 7.173 ( -3.529 -0.649 -1.773) 4.002 7.209 ( 1.463 1.426 2.289) 3.068 8.166 ( 1.020 -0.991 1.961) 2.422 8.212 ( 10.827 1.072 -10.955) 15.440 8.441 ( -11.265 4.428 7.717) 14.355 8.891 ( 5.294 -7.166 -1.289) 9.003 10.151 ( 0.698 1.664 0.253) 1.822 10.777 ( 1.618 1.828 -1.357) 2.793 19.200 ( 1.658 0.527 -1.578) 2.348 19.233 ( -1.389 -0.247 1.014) 1.737 19.274 ( 3.315 -0.712 1.719) 3.802 19.385 ( -2.540 1.122 -0.466) 2.816 21.377 ( 1.858 0.117 -0.143) 1.867 21.469 ( -0.412 -1.227 0.039) 1.295 21.506 ( -3.454 -2.565 0.269) 4.311 21.705 ( -3.855 -3.027 0.436) 4.921 24.349 ( -0.506 -0.181 -0.169) 0.563 24.436 ( -0.447 0.006 0.164) 0.476 24.475 ( 0.320 -0.129 -0.403) 0.531 24.549 ( 0.355 0.149 0.577) 0.694 32.580 ( -1.035 0.431 0.083) 1.124 32.646 ( 0.965 0.621 0.238) 1.172 32.659 ( -0.790 0.971 -1.022) 1.616 32.720 ( -0.070 -1.576 0.068) 1.579 40.947 ( -2.706 4.450 -3.123) 6.072 41.202 ( -1.505 -2.504 -2.639) 3.937 41.695 ( -3.229 -2.035 -1.359) 4.051 42.312 ( -2.403 2.227 5.632) 6.516 44.908 ( -3.677 -6.776 -1.521) 7.858 45.231 ( -1.952 -3.291 0.953) 3.943 47.169 ( 7.530 10.604 -0.647) 13.022 49.213 ( 11.735 -0.355 0.992) 11.782 ======================= Grid point 30 (20/150) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 12.685 0.000) 12.685 2.010 ( -0.000 -3.704 -0.000) 3.704 2.203 ( -0.000 -7.415 -0.000) 7.415 2.405 ( 0.000 5.529 0.000) 5.529 2.831 ( -0.000 -1.692 -0.000) 1.692 2.980 ( 0.000 6.681 0.000) 6.681 3.140 ( 0.000 0.617 0.000) 0.617 3.249 ( -0.000 -5.054 -0.000) 5.054 3.378 ( -0.000 -10.684 -0.000) 10.684 3.550 ( 0.000 10.079 0.000) 10.079 3.641 ( 0.000 5.367 0.000) 5.367 3.962 ( -0.000 -1.543 -0.000) 1.543 4.057 ( -0.000 -3.809 -0.000) 3.809 4.088 ( 0.000 11.759 0.000) 11.759 4.430 ( 0.000 10.553 0.000) 10.553 4.655 ( 0.000 6.360 0.000) 6.360 4.685 ( 0.000 6.176 0.000) 6.176 4.802 ( 0.000 1.907 0.000) 1.907 4.973 ( 0.000 2.153 0.000) 2.153 5.440 ( 0.000 9.172 0.000) 9.172 5.487 ( 0.000 2.873 0.000) 2.873 5.578 ( 0.000 5.144 0.000) 5.144 5.991 ( -0.000 -1.851 -0.000) 1.851 6.174 ( 0.000 7.606 0.000) 7.606 6.339 ( -0.000 -2.921 -0.000) 2.921 6.452 ( 0.000 4.030 0.000) 4.030 6.845 ( 0.000 5.224 0.000) 5.224 6.975 ( -0.000 -3.636 -0.000) 3.636 7.144 ( -0.000 -0.194 -0.000) 0.194 7.193 ( 0.000 3.187 0.000) 3.187 8.205 ( -0.000 -2.606 -0.000) 2.606 8.236 ( 0.000 9.940 0.000) 9.940 8.305 ( -0.000 -0.934 -0.000) 0.934 9.068 ( -0.000 -12.404 -0.000) 12.404 10.127 ( 0.000 2.715 0.000) 2.715 10.750 ( 0.000 3.527 0.000) 3.527 19.205 ( 0.000 1.091 0.000) 1.091 19.228 ( -0.000 -0.689 -0.000) 0.689 19.325 ( 0.000 1.740 0.000) 1.740 19.333 ( -0.000 -0.937 -0.000) 0.937 21.416 ( -0.000 -2.078 -0.000) 2.078 21.480 ( -0.000 -1.359 -0.000) 1.359 21.523 ( -0.000 -4.395 -0.000) 4.395 21.729 ( -0.000 -5.312 -0.000) 5.312 24.348 ( -0.000 -0.326 -0.000) 0.326 24.432 ( 0.000 0.059 0.000) 0.059 24.480 ( -0.000 -0.299 -0.000) 0.299 24.550 ( 0.000 0.284 0.000) 0.284 32.564 ( 0.000 0.686 0.000) 0.686 32.631 ( 0.000 1.497 0.000) 1.497 32.647 ( 0.000 0.968 0.000) 0.968 32.743 ( -0.000 -1.909 -0.000) 1.909 40.827 ( 0.000 8.300 0.000) 8.300 41.229 ( -0.000 -4.456 -0.000) 4.456 41.710 ( -0.000 -3.998 -0.000) 3.998 42.276 ( 0.000 3.175 0.000) 3.175 44.991 ( -0.000 -10.926 -0.000) 10.926 45.277 ( -0.000 -5.707 -0.000) 5.707 47.018 ( 0.000 19.941 0.000) 19.941 49.323 ( -0.000 -1.437 -0.000) 1.437 ======================= Grid point 38 (21/150) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.000 -0.000 -0.000) 0.000 2.074 ( -0.000 -0.000 -0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.347 ( -0.000 -0.000 -0.000) 0.000 2.804 ( -0.000 -0.000 -0.000) 0.000 2.978 ( -0.000 -0.000 -0.000) 0.000 3.109 ( -0.000 -0.000 -0.000) 0.000 3.228 ( -0.000 -0.000 -0.000) 0.000 3.329 ( -0.000 -0.000 -0.000) 0.000 3.633 ( -0.000 -0.000 -0.000) 0.000 3.737 ( -0.000 -0.000 -0.000) 0.000 3.953 ( -0.000 -0.000 -0.000) 0.000 4.002 ( -0.000 -0.000 -0.000) 0.000 4.244 ( -0.000 -0.000 -0.000) 0.000 4.533 ( -0.000 -0.000 -0.000) 0.000 4.744 ( -0.000 -0.000 -0.000) 0.000 4.760 ( -0.000 -0.000 -0.000) 0.000 4.908 ( -0.000 -0.000 -0.000) 0.000 4.970 ( -0.000 -0.000 -0.000) 0.000 5.533 ( -0.000 -0.000 -0.000) 0.000 5.538 ( -0.000 -0.000 -0.000) 0.000 5.711 ( -0.000 -0.000 -0.000) 0.000 5.920 ( -0.000 -0.000 -0.000) 0.000 6.273 ( -0.000 -0.000 -0.000) 0.000 6.321 ( -0.000 -0.000 -0.000) 0.000 6.505 ( -0.000 -0.000 -0.000) 0.000 6.923 ( -0.000 -0.000 -0.000) 0.000 6.937 ( -0.000 -0.000 -0.000) 0.000 7.137 ( -0.000 -0.000 -0.000) 0.000 7.237 ( -0.000 -0.000 -0.000) 0.000 8.167 ( -0.000 -0.000 -0.000) 0.000 8.294 ( -0.000 -0.000 -0.000) 0.000 8.393 ( -0.000 -0.000 -0.000) 0.000 8.871 ( -0.000 -0.000 -0.000) 0.000 10.170 ( -0.000 -0.000 -0.000) 0.000 10.797 ( -0.000 -0.000 -0.000) 0.000 19.216 ( -0.000 -0.000 -0.000) 0.000 19.216 ( -0.000 -0.000 -0.000) 0.000 19.321 ( -0.000 -0.000 -0.000) 0.000 19.354 ( -0.000 -0.000 -0.000) 0.000 21.387 ( -0.000 -0.000 -0.000) 0.000 21.461 ( -0.000 -0.000 -0.000) 0.000 21.462 ( -0.000 -0.000 -0.000) 0.000 21.656 ( -0.000 -0.000 -0.000) 0.000 24.343 ( -0.000 -0.000 -0.000) 0.000 24.433 ( -0.000 -0.000 -0.000) 0.000 24.476 ( -0.000 -0.000 -0.000) 0.000 24.554 ( -0.000 -0.000 -0.000) 0.000 32.573 ( -0.000 -0.000 -0.000) 0.000 32.660 ( -0.000 -0.000 -0.000) 0.000 32.660 ( -0.000 -0.000 -0.000) 0.000 32.707 ( -0.000 -0.000 -0.000) 0.000 40.952 ( -0.000 -0.000 -0.000) 0.000 41.169 ( -0.000 -0.000 -0.000) 0.000 41.647 ( -0.000 -0.000 -0.000) 0.000 42.320 ( -0.000 -0.000 -0.000) 0.000 44.835 ( -0.000 -0.000 -0.000) 0.000 45.198 ( -0.000 -0.000 -0.000) 0.000 47.299 ( -0.000 -0.000 -0.000) 0.000 49.298 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 67 (22/150) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 15.480 -0.000 18.346) 24.004 0.454 ( -3.178 0.000 23.420) 23.635 0.762 ( 5.015 -0.000 36.266) 36.611 2.122 ( 1.937 -0.000 -2.587) 3.231 2.135 ( 2.416 -0.000 3.160) 3.978 2.523 ( -5.625 0.000 -2.780) 6.275 2.638 ( 7.945 -0.000 -4.767) 9.265 3.150 ( -11.162 0.000 2.109) 11.359 3.218 ( -6.037 0.000 -3.273) 6.867 3.451 ( 0.991 -0.000 -3.729) 3.858 3.589 ( -3.129 0.000 -0.322) 3.146 3.737 ( -2.902 0.000 -2.187) 3.634 3.844 ( -0.906 0.000 -2.355) 2.523 3.896 ( 2.637 -0.000 -5.003) 5.656 4.136 ( -1.366 0.000 1.895) 2.336 4.227 ( 0.444 -0.000 2.018) 2.066 4.567 ( -2.012 0.000 0.189) 2.021 4.634 ( -1.629 0.000 0.959) 1.890 4.808 ( -0.055 0.000 -1.498) 1.499 5.104 ( 26.523 -0.000 -4.551) 26.911 5.329 ( 2.927 -0.000 -2.396) 3.783 5.612 ( 2.324 -0.000 -7.506) 7.858 5.649 ( 5.407 -0.000 3.887) 6.659 5.884 ( -36.007 0.000 0.605) 36.012 6.168 ( 4.803 -0.000 5.611) 7.385 6.626 ( -5.848 0.000 7.316) 9.367 6.630 ( 0.403 -0.000 -3.487) 3.510 6.825 ( 3.088 -0.000 -0.555) 3.137 7.115 ( -53.667 0.000 2.932) 53.747 7.339 ( -1.139 0.000 2.227) 2.501 7.622 ( -2.966 0.000 1.968) 3.559 7.818 ( 2.434 -0.000 4.911) 5.481 8.464 ( -4.057 0.000 1.515) 4.331 9.729 ( 36.644 -0.000 -5.216) 37.013 10.070 ( 1.633 -0.000 -2.387) 2.892 10.148 ( -0.160 0.000 -5.289) 5.291 19.050 ( 0.294 -0.000 0.266) 0.396 19.201 ( 0.182 -0.000 -1.470) 1.481 19.309 ( -1.090 0.000 1.300) 1.696 19.433 ( 0.185 -0.000 -0.028) 0.187 21.581 ( -0.217 0.000 0.428) 0.480 21.617 ( -0.719 0.000 0.274) 0.769 21.861 ( 0.588 -0.000 1.117) 1.262 22.107 ( -0.011 0.000 -0.925) 0.925 24.418 ( 0.128 -0.000 -0.165) 0.209 24.467 ( 0.042 -0.000 0.527) 0.529 24.469 ( -10.585 0.000 -0.701) 10.608 24.524 ( -1.831 0.000 0.156) 1.837 32.534 ( -0.399 0.000 -0.310) 0.505 32.584 ( 0.860 -0.000 1.165) 1.448 32.652 ( 1.521 -0.000 -0.185) 1.533 32.808 ( 0.048 -0.000 -1.628) 1.629 41.588 ( -2.234 0.000 -3.594) 4.232 41.825 ( 3.013 -0.000 -7.173) 7.780 42.071 ( -6.886 0.000 6.722) 9.623 42.830 ( 201.312 -0.000 -1.312) 201.317 45.452 ( -0.040 0.000 -1.926) 1.927 45.648 ( -6.328 0.000 -4.496) 7.762 45.831 ( 3.509 -0.000 3.526) 4.975 45.889 ( -42.545 0.000 2.022) 42.593 ======================= Grid point 68 (23/150) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 12.511 -11.971 15.891) 23.502 0.994 ( 14.384 -9.550 23.291) 28.993 1.448 ( 27.712 -35.024 12.016) 46.250 2.155 ( -1.521 -2.174 0.526) 2.705 2.312 ( -0.330 -7.646 -1.065) 7.727 2.451 ( 6.417 -4.359 5.455) 9.483 2.704 ( -0.345 -5.748 1.275) 5.897 2.983 ( 0.281 6.778 -7.945) 10.447 3.213 ( 1.535 -10.038 -3.978) 10.907 3.376 ( -1.493 7.371 -7.072) 10.324 3.520 ( 6.656 9.438 1.491) 11.645 3.801 ( 4.915 0.460 -3.499) 6.051 3.882 ( -0.069 -9.719 -0.441) 9.729 3.965 ( 1.752 -4.559 0.373) 4.899 4.111 ( -3.461 -5.730 -1.560) 6.874 4.233 ( -3.638 -5.871 -3.793) 7.880 4.519 ( -3.382 -0.308 -0.263) 3.407 4.637 ( -0.518 -2.270 -2.168) 3.182 4.783 ( -1.635 1.128 -0.920) 2.189 5.196 ( 2.732 18.507 7.023) 19.982 5.370 ( -0.905 1.656 -0.463) 1.943 5.465 ( 7.002 -4.062 -2.356) 8.431 5.602 ( 1.159 1.425 -3.992) 4.394 5.883 ( 0.345 -10.096 2.687) 10.453 6.243 ( 3.842 -0.039 4.244) 5.725 6.583 ( -2.414 1.105 4.486) 5.212 6.645 ( 1.258 -3.105 -3.446) 4.806 6.934 ( -4.106 -1.448 8.196) 9.280 6.982 ( 3.594 -8.829 -6.022) 11.275 7.377 ( 1.607 -2.233 3.389) 4.365 7.598 ( -0.076 -0.728 0.568) 0.927 7.956 ( -1.124 -9.044 3.282) 9.687 8.411 ( -2.746 0.380 -0.597) 2.836 9.807 ( -7.487 7.926 -6.525) 12.706 10.067 ( 1.079 1.757 -2.736) 3.425 10.267 ( 11.967 -7.740 -11.168) 18.107 19.061 ( 0.253 -1.121 0.608) 1.300 19.206 ( -0.145 -1.280 -1.840) 2.246 19.301 ( -1.175 -0.314 0.998) 1.573 19.431 ( 0.776 1.754 0.405) 1.960 21.562 ( -2.502 2.291 0.280) 3.405 21.594 ( -1.291 0.088 0.255) 1.319 21.840 ( -0.321 2.964 1.311) 3.257 22.080 ( -1.279 1.533 -1.496) 2.495 24.388 ( -0.969 0.348 1.087) 1.497 24.422 ( 0.304 -0.219 -0.336) 0.503 24.475 ( -0.416 -0.649 0.593) 0.972 24.517 ( -0.329 -0.115 -0.280) 0.447 32.535 ( 0.045 -0.559 -0.180) 0.589 32.609 ( 0.528 -0.087 1.433) 1.530 32.625 ( -0.355 0.956 1.869) 2.129 32.805 ( 0.857 0.221 -1.994) 2.182 41.496 ( -4.010 2.276 -4.759) 6.627 41.814 ( -1.362 0.010 -7.068) 7.198 41.940 ( -4.505 7.863 5.019) 10.359 42.802 ( 18.178 87.501 29.519) 94.118 45.530 ( -0.043 -5.703 -1.030) 5.795 45.712 ( -1.029 -7.714 1.228) 7.879 45.857 ( 9.756 5.343 2.530) 11.408 47.109 ( 13.692 -87.401 -55.292) 104.325 ======================= Grid point 69 (24/150) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 11.482 -13.783 11.495) 21.306 1.375 ( 9.400 -4.233 19.733) 22.264 2.004 ( -4.865 -3.744 2.550) 6.647 2.200 ( 5.695 -10.369 -1.050) 11.877 2.367 ( -3.832 0.369 -0.148) 3.853 2.629 ( 8.234 -7.567 4.665) 12.117 2.841 ( 1.314 -7.382 -2.748) 7.986 3.102 ( 10.475 -9.465 -2.341) 14.310 3.270 ( 6.202 -1.319 -7.869) 10.105 3.427 ( 7.498 -12.470 -3.291) 14.918 3.546 ( 6.692 4.294 4.539) 9.156 3.829 ( 5.152 -1.662 -7.660) 9.380 3.980 ( 2.153 -1.511 -0.730) 2.729 4.044 ( 0.510 -2.588 0.666) 2.720 4.172 ( -0.665 -7.057 0.731) 7.125 4.229 ( -4.677 -7.732 -3.579) 9.719 4.529 ( -2.470 -7.057 0.888) 7.530 4.663 ( 0.977 -2.552 -4.165) 4.982 4.716 ( 0.964 4.816 -0.722) 4.964 5.058 ( -4.815 3.812 6.620) 9.029 5.381 ( 4.790 4.883 -5.217) 8.603 5.537 ( 5.153 2.205 -3.973) 6.870 5.676 ( 6.216 -4.395 0.564) 7.634 5.973 ( -1.029 -2.321 3.498) 4.322 6.354 ( 6.060 -1.248 1.182) 6.300 6.564 ( -2.168 -0.646 6.843) 7.207 6.704 ( 1.719 -4.774 -2.955) 5.872 6.946 ( -1.357 -0.035 7.011) 7.141 7.041 ( 1.438 0.683 -3.724) 4.050 7.442 ( 1.473 -0.062 3.087) 3.421 7.679 ( 2.260 -8.955 -0.108) 9.236 8.042 ( -0.287 -3.806 2.923) 4.808 8.378 ( -0.429 -0.158 -1.213) 1.296 9.474 ( -15.805 9.865 -2.556) 18.805 10.057 ( 1.809 1.342 -2.325) 3.237 10.440 ( 7.681 -4.932 -10.007) 13.545 19.085 ( -0.164 -1.335 0.611) 1.478 19.214 ( 0.279 -1.719 -1.843) 2.536 19.291 ( -1.169 0.010 0.882) 1.464 19.418 ( 0.759 2.604 1.250) 2.986 21.450 ( -5.163 4.457 -0.696) 6.856 21.568 ( -1.969 1.237 0.810) 2.463 21.815 ( 0.606 1.596 0.412) 1.756 22.034 ( -0.439 1.683 -1.091) 2.053 24.391 ( 0.758 0.220 0.316) 0.850 24.426 ( -0.025 -0.425 -0.776) 0.885 24.481 ( 0.042 -0.089 0.992) 0.997 24.511 ( -0.427 -0.168 -0.256) 0.526 32.543 ( 0.321 -0.276 -0.081) 0.431 32.598 ( -1.142 0.220 1.524) 1.917 32.668 ( 2.301 -1.359 1.324) 2.982 32.800 ( 0.403 0.477 -2.183) 2.271 41.373 ( -4.656 2.857 -4.142) 6.856 41.652 ( -7.121 6.129 -1.701) 9.548 41.879 ( 1.188 1.550 -3.434) 3.950 42.332 ( 6.336 37.807 21.237) 43.823 45.562 ( 0.343 -1.411 -2.715) 3.079 45.832 ( -5.983 -11.389 6.348) 14.346 45.990 ( 14.075 1.758 0.552) 14.195 47.714 ( 1.963 -36.811 -33.009) 49.482 ======================= Grid point 70 (25/150) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 3.856 -9.121 8.692) 13.177 1.595 ( 5.463 0.748 12.279) 13.461 1.899 ( -7.948 1.759 2.950) 8.658 2.186 ( -4.537 1.942 -5.801) 7.617 2.451 ( 6.446 -4.313 0.040) 7.756 2.665 ( -2.109 4.306 3.693) 6.052 3.050 ( 3.505 -10.149 -0.354) 10.743 3.153 ( -1.543 -5.105 -6.452) 8.371 3.484 ( 7.934 -0.534 -7.774) 11.121 3.601 ( 5.210 -8.299 -0.260) 9.803 3.744 ( 7.934 -4.067 7.402) 11.588 3.921 ( 2.518 -3.627 -6.064) 7.501 4.024 ( 1.829 -3.300 -1.405) 4.026 4.114 ( 8.206 -3.343 -0.852) 8.901 4.214 ( -3.752 -6.827 0.477) 7.805 4.299 ( 0.688 -3.785 1.824) 4.258 4.544 ( -1.292 9.179 3.065) 9.763 4.605 ( -2.247 -6.450 -1.487) 6.990 4.802 ( 4.980 -3.054 -3.446) 6.782 4.994 ( -6.305 -2.094 2.451) 7.081 5.341 ( 2.217 3.338 -3.297) 5.189 5.578 ( 6.706 2.019 -4.709) 8.439 5.820 ( 4.856 -2.360 1.021) 5.494 5.975 ( -1.329 1.257 3.271) 3.748 6.405 ( 2.549 2.074 -0.632) 3.347 6.623 ( -2.028 -3.473 7.028) 8.098 6.789 ( 2.957 -4.795 -1.668) 5.876 6.969 ( 0.407 0.896 5.815) 5.898 7.000 ( -0.509 2.910 -1.654) 3.386 7.462 ( -0.001 -0.099 1.099) 1.104 7.837 ( -0.551 -10.687 -1.508) 10.807 8.109 ( 3.312 -0.555 6.710) 7.503 8.406 ( 4.369 -2.223 -2.352) 5.437 9.092 ( -16.672 9.457 2.009) 19.273 10.057 ( 1.451 0.696 -2.350) 2.848 10.526 ( 4.461 -2.430 -9.161) 10.475 19.088 ( -0.653 -0.185 -0.380) 0.778 19.244 ( 0.799 -2.735 -1.147) 3.071 19.279 ( -0.697 0.249 1.022) 1.261 19.399 ( 0.269 2.846 1.824) 3.391 21.321 ( -3.661 3.273 -0.479) 4.934 21.519 ( -1.726 1.735 0.448) 2.488 21.817 ( 0.774 0.088 -0.136) 0.790 22.015 ( 0.433 0.829 -0.364) 1.003 24.401 ( 0.605 0.159 0.331) 0.708 24.427 ( 0.011 -0.588 -0.708) 0.920 24.483 ( -0.254 0.235 0.127) 0.369 24.511 ( 0.116 -0.136 0.743) 0.764 32.549 ( 0.479 0.247 -0.019) 0.540 32.589 ( -0.883 -0.067 1.100) 1.412 32.728 ( 2.014 -1.744 0.716) 2.759 32.777 ( -0.648 0.902 -2.515) 2.750 41.231 ( -6.014 2.402 -6.113) 8.906 41.510 ( -3.906 0.944 -1.743) 4.380 41.844 ( -0.357 1.116 -6.070) 6.182 42.152 ( 5.084 18.473 13.371) 23.364 45.563 ( 2.643 1.822 -3.845) 5.009 45.880 ( -6.007 -6.023 4.374) 9.565 46.184 ( 6.130 -4.185 2.718) 7.904 47.951 ( 5.189 -15.160 -18.320) 24.339 ======================= Grid point 71 (26/150) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -6.553 3.961 5.880) 9.655 1.612 ( -4.763 6.863 2.451) 8.706 1.840 ( 0.860 -0.949 4.175) 4.367 2.112 ( 1.423 0.249 -5.714) 5.893 2.498 ( -0.951 4.893 -2.273) 5.478 2.659 ( 0.025 -5.508 5.450) 7.748 3.140 ( 1.696 -0.571 2.277) 2.896 3.240 ( -0.094 -10.826 -2.299) 11.068 3.506 ( 1.809 1.374 -4.989) 5.481 3.702 ( 0.885 -0.095 -0.269) 0.930 3.826 ( -4.451 3.613 1.437) 5.910 3.962 ( 2.522 -5.054 -5.647) 7.987 4.025 ( -2.721 2.279 -1.442) 3.831 4.242 ( 1.481 2.719 0.408) 3.122 4.267 ( 0.622 -4.774 4.359) 6.494 4.393 ( 4.765 -4.801 0.947) 6.830 4.446 ( -1.713 3.222 4.654) 5.914 4.636 ( 3.588 4.803 -1.643) 6.216 4.836 ( -0.647 -0.789 -2.229) 2.452 4.949 ( -5.885 -4.153 0.202) 7.205 5.353 ( 2.031 -1.734 -1.016) 2.858 5.619 ( 5.579 2.675 -4.632) 7.729 5.869 ( 0.713 1.608 -0.060) 1.760 5.938 ( -0.960 4.645 2.266) 5.257 6.418 ( 1.174 -0.021 1.081) 1.596 6.608 ( -5.593 1.307 3.411) 6.680 6.857 ( 0.799 -0.366 -0.884) 1.247 6.925 ( -2.040 2.327 -0.875) 3.216 7.028 ( 2.747 -0.863 4.524) 5.362 7.458 ( -2.154 -1.441 -0.328) 2.612 7.884 ( -2.861 -3.715 -4.302) 6.363 8.211 ( 0.752 0.528 13.418) 13.450 8.595 ( 13.822 -9.297 -4.310) 17.206 8.791 ( -12.744 5.103 7.587) 15.685 10.052 ( 0.710 0.537 -2.863) 2.998 10.545 ( 2.187 -0.692 -9.342) 9.620 19.074 ( -0.205 0.424 -1.304) 1.387 19.273 ( -0.254 0.203 0.665) 0.741 19.289 ( 0.701 -2.327 0.142) 2.434 19.372 ( -0.433 2.403 1.871) 3.076 21.277 ( 0.486 -0.626 0.399) 0.887 21.493 ( 0.288 0.346 -0.026) 0.451 21.825 ( -0.024 -0.297 -0.119) 0.321 22.015 ( 0.513 0.241 -0.038) 0.568 24.405 ( -0.405 -0.332 0.264) 0.587 24.439 ( 0.924 -0.456 -0.134) 1.039 24.472 ( -0.624 0.162 -0.428) 0.774 24.522 ( 0.399 0.157 1.372) 1.438 32.550 ( 0.343 0.558 -0.159) 0.675 32.585 ( -0.436 0.128 1.055) 1.148 32.727 ( -1.917 1.275 -2.639) 3.502 32.777 ( 1.302 -1.423 -0.320) 1.955 41.072 ( -7.364 -0.819 -12.182) 14.258 41.480 ( -2.024 -3.298 -0.765) 3.944 41.791 ( 0.636 1.625 -5.076) 5.368 42.108 ( 4.122 8.941 8.313) 12.886 45.551 ( 4.267 4.442 -4.878) 7.857 45.868 ( -7.282 -4.685 2.741) 9.083 46.270 ( -2.452 -1.693 3.303) 4.449 48.104 ( 11.581 -1.169 -10.405) 15.613 ======================= Grid point 72 (27/150) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -13.660 12.052 1.182) 18.255 1.379 ( -10.294 12.237 1.944) 16.109 1.929 ( 6.233 -0.332 2.389) 6.684 2.144 ( 4.811 -0.133 -2.667) 5.502 2.383 ( -1.115 6.667 -0.492) 6.777 2.778 ( -2.927 -8.002 4.406) 9.592 3.155 ( -1.886 4.122 2.824) 5.341 3.344 ( -5.146 -2.590 -4.018) 7.024 3.387 ( -4.948 5.940 2.350) 8.080 3.519 ( -11.222 5.343 -5.846) 13.736 3.765 ( 0.989 0.784 3.939) 4.136 3.905 ( -3.431 4.512 -5.968) 8.231 4.014 ( 1.583 1.599 -1.194) 2.547 4.160 ( -4.702 2.787 1.087) 5.573 4.373 ( -1.053 1.951 5.018) 5.486 4.399 ( -0.254 2.489 6.911) 7.350 4.490 ( 4.435 2.077 -0.705) 4.948 4.615 ( 1.873 -0.579 -2.024) 2.818 4.820 ( 0.315 -0.237 -2.839) 2.867 4.892 ( -6.393 0.289 0.306) 6.407 5.434 ( 2.515 -5.453 0.243) 6.010 5.600 ( 1.904 5.936 -3.902) 7.354 5.833 ( 0.220 2.757 -0.954) 2.926 5.838 ( -2.579 6.485 -1.080) 7.062 6.404 ( -4.089 4.151 -0.731) 5.872 6.520 ( -3.328 -1.352 5.119) 6.253 6.812 ( -0.934 4.523 -1.595) 4.886 6.873 ( -0.619 2.335 -0.366) 2.444 7.143 ( 3.343 -5.302 5.424) 8.289 7.433 ( -4.338 -2.675 -0.970) 5.188 7.833 ( -2.911 0.840 -3.648) 4.742 8.256 ( -0.148 3.677 15.081) 15.524 8.624 ( -9.026 0.836 9.358) 13.029 8.999 ( 17.368 -13.792 -2.972) 22.376 10.036 ( 0.453 0.181 -3.554) 3.587 10.507 ( 0.091 1.265 -10.680) 10.755 19.061 ( 0.420 0.649 -1.485) 1.674 19.263 ( -0.743 0.845 0.305) 1.166 19.319 ( 0.501 0.652 1.681) 1.871 19.361 ( -0.111 -1.194 0.873) 1.483 21.351 ( 4.070 -4.067 1.190) 5.876 21.518 ( 2.094 -1.171 -0.398) 2.432 21.822 ( -0.814 -0.359 0.063) 0.892 22.024 ( 0.700 -0.456 -0.180) 0.854 24.406 ( -0.753 -0.889 0.560) 1.293 24.453 ( 0.003 0.171 -0.830) 0.847 24.467 ( 0.533 -0.538 0.610) 0.973 24.532 ( 0.239 0.211 1.715) 1.745 32.543 ( -0.035 0.696 -0.523) 0.871 32.582 ( -0.090 0.713 1.192) 1.392 32.661 ( -2.430 1.299 -2.468) 3.699 32.802 ( 0.460 -0.943 -1.098) 1.518 40.887 ( -10.789 -4.186 -20.777) 23.782 41.508 ( -1.416 -5.079 -0.522) 5.298 41.784 ( 3.250 0.869 -2.395) 4.130 42.109 ( 2.447 4.529 5.216) 7.328 45.521 ( 5.149 6.542 -5.666) 10.071 45.824 ( -7.882 -4.208 2.581) 9.300 46.195 ( -9.015 1.856 2.847) 9.634 48.209 ( 18.861 12.483 -9.633) 24.584 ======================= Grid point 73 (28/150) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -12.866 17.603 5.314) 22.442 1.018 ( -15.505 14.875 4.464) 21.945 1.986 ( 1.627 12.450 -1.242) 12.617 2.172 ( 1.227 4.442 -0.114) 4.610 2.330 ( 1.417 0.886 3.145) 3.561 2.537 ( -18.592 17.546 -1.955) 25.639 2.944 ( -7.054 14.600 -1.450) 16.280 3.183 ( -5.031 -5.991 0.582) 7.844 3.360 ( -3.818 -4.142 2.191) 6.045 3.435 ( -7.493 -5.707 -0.619) 9.439 3.705 ( -5.900 6.163 7.107) 11.104 3.847 ( 1.591 -2.594 -7.214) 7.829 3.962 ( -3.067 1.641 -0.344) 3.495 4.076 ( 1.196 7.812 3.404) 8.605 4.222 ( -4.543 10.458 2.866) 11.756 4.348 ( -0.027 11.229 -2.471) 11.498 4.543 ( -0.651 -4.387 3.128) 5.427 4.690 ( 2.058 -4.457 0.290) 4.917 4.788 ( -0.891 4.934 0.398) 5.029 4.821 ( -2.272 -4.518 -4.417) 6.714 5.474 ( 0.545 4.409 -7.876) 9.042 5.569 ( 1.386 -1.680 3.648) 4.248 5.691 ( -4.567 3.991 -2.746) 6.658 5.826 ( 3.682 2.004 -1.087) 4.331 6.263 ( -6.166 2.201 1.245) 6.664 6.563 ( -0.245 -1.692 6.355) 6.581 6.725 ( -0.762 4.192 -2.834) 5.117 6.838 ( 1.336 3.526 -0.068) 3.772 7.306 ( 2.544 -7.312 6.733) 10.260 7.393 ( -5.409 -3.527 -0.580) 6.483 7.749 ( -3.856 1.714 -1.816) 4.594 8.305 ( 2.680 3.987 17.397) 18.048 8.556 ( -6.674 -0.691 7.886) 10.354 9.388 ( 14.060 -10.643 -6.081) 18.653 10.032 ( 1.204 -0.898 -3.704) 3.997 10.388 ( -2.004 5.175 -13.943) 15.007 19.051 ( 0.480 0.967 -0.974) 1.454 19.237 ( -0.398 1.340 0.002) 1.398 19.318 ( -0.562 0.352 1.788) 1.907 19.395 ( 0.927 -1.622 0.770) 2.020 21.484 ( 4.240 -4.119 1.354) 6.065 21.568 ( 2.125 -1.527 -0.712) 2.712 21.818 ( -0.633 -1.006 0.083) 1.191 22.050 ( 1.603 -1.427 -0.801) 2.291 24.413 ( -0.741 -1.337 0.792) 1.722 24.442 ( -0.458 -0.095 -0.321) 0.567 24.492 ( 0.942 -0.716 0.325) 1.227 24.545 ( -0.117 -0.608 2.850) 2.916 32.524 ( -0.526 0.805 -0.748) 1.219 32.572 ( -0.424 1.182 0.686) 1.431 32.607 ( -1.328 0.928 -0.706) 1.768 32.808 ( 0.063 -0.620 -1.552) 1.672 40.608 ( -16.310 -3.567 -27.785) 32.415 41.557 ( -0.626 -4.915 -0.612) 4.992 41.824 ( 4.325 0.922 -1.960) 4.837 42.114 ( 0.375 1.925 4.520) 4.927 45.477 ( 5.065 7.133 -5.329) 10.244 45.781 ( -6.549 -3.647 3.467) 8.259 46.012 ( -11.495 3.035 1.530) 11.987 48.196 ( 26.976 32.502 -21.901) 47.579 ======================= Grid point 74 (29/150) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -3.329 24.224 15.029) 28.701 0.628 ( -14.999 11.925 15.940) 24.925 1.269 ( -34.690 41.732 6.470) 54.652 2.139 ( 1.710 3.835 -0.324) 4.212 2.266 ( -3.318 10.613 -4.098) 11.851 2.424 ( 3.251 -5.682 4.176) 7.765 2.630 ( 0.064 10.552 -1.713) 10.690 3.250 ( -3.759 -3.830 0.194) 5.370 3.321 ( -10.479 -3.720 1.952) 11.290 3.427 ( -0.231 -5.350 -3.294) 6.287 3.600 ( -12.001 -8.685 5.400) 15.768 3.823 ( -1.775 -0.564 -5.439) 5.749 3.925 ( -0.839 8.859 1.497) 9.024 3.985 ( 0.048 7.035 1.999) 7.314 4.081 ( 2.231 6.212 0.284) 6.607 4.214 ( 1.533 5.642 2.684) 6.433 4.579 ( -2.232 -2.348 1.758) 3.686 4.694 ( 0.235 4.305 -0.902) 4.405 4.798 ( 4.339 2.046 -0.766) 4.857 4.836 ( -1.501 -8.626 -3.322) 9.364 5.391 ( -0.342 4.625 -3.514) 5.819 5.524 ( -0.311 0.061 -4.386) 4.398 5.663 ( 0.143 -0.133 -1.636) 1.647 5.906 ( 4.325 -4.616 4.565) 7.800 6.184 ( -5.777 -1.221 2.644) 6.469 6.606 ( -0.773 -0.623 7.242) 7.310 6.660 ( -0.089 2.273 -3.102) 3.846 6.825 ( 3.443 3.891 -0.390) 5.210 7.349 ( -4.827 -2.857 0.777) 5.663 7.498 ( 0.660 -11.900 6.593) 13.620 7.657 ( -8.665 -2.750 -1.545) 9.221 8.385 ( -6.477 -0.362 -0.945) 6.555 8.512 ( -5.151 -0.646 4.565) 6.913 9.500 ( 6.887 14.355 -14.650) 21.636 10.067 ( 3.495 -1.239 -2.683) 4.577 10.182 ( -0.328 7.865 -11.254) 13.734 19.042 ( 0.424 0.777 0.201) 0.908 19.220 ( 0.537 1.441 -0.883) 1.774 19.315 ( -0.861 -0.134 1.737) 1.944 19.427 ( 0.512 -0.736 0.380) 0.973 21.571 ( 1.196 -1.747 0.370) 2.149 21.604 ( 0.866 -1.036 -0.192) 1.364 21.832 ( 0.076 -1.651 -0.258) 1.672 22.093 ( 1.997 -1.168 -1.568) 2.795 24.419 ( -0.250 -0.295 -0.104) 0.400 24.448 ( -0.620 -1.807 0.857) 2.094 24.510 ( 0.464 -0.386 -0.700) 0.924 24.584 ( -2.558 -5.173 2.425) 6.260 32.524 ( 1.646 -0.896 2.881) 3.436 32.552 ( -0.374 0.541 -0.086) 0.663 32.589 ( 0.569 1.306 1.651) 2.181 32.808 ( 0.132 -0.616 -1.427) 1.560 40.340 ( 10.264 2.312 13.391) 17.030 41.602 ( -0.856 -3.670 -1.129) 3.934 41.843 ( 3.995 2.860 -5.355) 7.268 42.117 ( -1.958 0.718 6.407) 6.738 45.442 ( 3.613 3.902 -3.409) 6.317 45.761 ( -6.115 -3.832 3.531) 8.034 45.827 ( -6.094 3.505 0.150) 7.032 47.683 ( 16.887 82.795 -62.568) 105.142 ======================= Grid point 76 (30/150) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 19.754 -0.000 14.852) 24.715 1.389 ( 26.582 -0.000 10.108) 28.439 1.678 ( 28.242 -0.000 13.833) 31.448 2.099 ( -3.632 0.000 -1.096) 3.793 2.349 ( 8.003 -0.000 -1.100) 8.079 2.576 ( 9.102 -0.000 8.496) 12.451 2.653 ( 2.378 -0.000 1.238) 2.681 3.057 ( 4.571 -0.000 -10.317) 11.284 3.173 ( 11.999 -0.000 -6.325) 13.564 3.311 ( -4.941 0.000 -8.927) 10.203 3.752 ( -2.515 0.000 4.432) 5.096 3.776 ( 6.483 -0.000 1.301) 6.612 3.874 ( 8.007 -0.000 -4.251) 9.066 3.945 ( -5.435 0.000 -7.829) 9.531 4.081 ( 10.068 -0.000 5.136) 11.302 4.096 ( -4.323 0.000 -6.218) 7.573 4.429 ( -7.103 0.000 0.649) 7.133 4.616 ( 1.740 -0.000 -2.485) 3.034 4.737 ( -3.928 0.000 -0.391) 3.948 5.186 ( -9.557 0.000 5.851) 11.206 5.504 ( 5.504 -0.000 -9.016) 10.563 5.552 ( 8.086 -0.000 2.398) 8.434 5.681 ( 7.176 -0.000 -6.314) 9.559 5.872 ( 4.902 -0.000 10.102) 11.229 6.304 ( 3.391 -0.000 3.327) 4.751 6.606 ( -1.610 0.000 3.742) 4.074 6.626 ( 1.795 -0.000 -2.014) 2.698 6.931 ( 3.311 -0.000 2.717) 4.283 7.016 ( 4.197 -0.000 1.135) 4.347 7.418 ( 2.230 -0.000 3.828) 4.430 7.584 ( -0.216 0.000 -0.245) 0.326 7.966 ( 3.377 -0.000 7.030) 7.800 8.379 ( -0.088 0.000 -3.347) 3.348 9.629 ( -16.027 0.000 -6.671) 17.360 10.090 ( 0.951 -0.000 -1.185) 1.519 10.347 ( 12.539 -0.000 -12.348) 17.598 19.065 ( 0.806 -0.000 0.969) 1.261 19.188 ( 0.125 -0.000 -2.247) 2.250 19.291 ( -0.857 0.000 1.290) 1.549 19.458 ( 0.718 -0.000 0.340) 0.794 21.538 ( -3.923 0.000 -0.742) 3.993 21.569 ( -1.584 0.000 1.295) 2.046 21.838 ( -2.970 0.000 1.740) 3.442 22.045 ( -3.130 0.000 -1.068) 3.307 24.394 ( 0.844 -0.000 0.049) 0.846 24.417 ( -0.390 0.000 -0.405) 0.562 24.481 ( 0.605 -0.000 1.375) 1.502 24.508 ( -0.530 0.000 -0.355) 0.638 32.538 ( 0.745 -0.000 0.239) 0.783 32.614 ( -1.326 0.000 1.386) 1.918 32.637 ( 1.481 -0.000 1.269) 1.950 32.805 ( 0.372 -0.000 -2.296) 2.326 41.402 ( -5.463 0.000 -6.438) 8.444 41.711 ( -8.420 0.000 -6.218) 10.466 41.911 ( -1.897 0.000 -2.241) 2.936 43.359 ( -31.319 0.000 20.568) 37.469 45.430 ( -6.256 0.000 -5.872) 8.580 45.480 ( -2.793 0.000 2.737) 3.910 46.064 ( 11.553 -0.000 2.460) 11.812 47.011 ( 49.819 -0.000 -26.729) 56.536 ======================= Grid point 77 (31/150) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 16.096 3.246 12.016) 20.347 1.689 ( 15.236 5.382 11.680) 19.938 1.950 ( -1.257 1.755 3.182) 3.845 2.236 ( 8.253 0.062 1.680) 8.423 2.456 ( 13.048 0.973 -2.479) 13.317 2.677 ( 5.291 -3.377 1.718) 6.508 2.806 ( 3.563 -0.181 1.090) 3.730 3.140 ( 5.023 0.412 -8.082) 9.525 3.276 ( 11.077 -9.359 -7.032) 16.116 3.428 ( 14.842 -6.169 -3.328) 16.414 3.710 ( -0.494 -0.672 3.503) 3.601 3.792 ( 1.721 2.863 -8.200) 8.854 3.864 ( -4.732 -7.822 -4.340) 10.120 4.016 ( 0.270 -8.135 -0.013) 8.140 4.135 ( 9.565 -0.095 0.262) 9.569 4.242 ( 5.255 0.723 5.027) 7.308 4.370 ( -4.292 -6.208 2.246) 7.875 4.621 ( -1.753 1.098 -3.194) 3.805 4.718 ( 0.888 -5.193 -0.239) 5.274 5.096 ( -0.632 5.495 0.814) 5.590 5.476 ( 1.757 4.260 -5.831) 7.432 5.648 ( 5.984 2.463 -1.962) 6.762 5.765 ( 7.054 -1.309 -0.131) 7.176 6.000 ( 3.559 1.103 8.509) 9.289 6.416 ( 5.925 -3.299 0.436) 6.795 6.560 ( -4.457 1.648 5.571) 7.323 6.676 ( 3.020 -2.930 -1.104) 4.350 6.996 ( 2.913 0.831 4.827) 5.698 7.061 ( 0.859 0.682 -0.664) 1.282 7.450 ( -1.561 -0.717 2.121) 2.730 7.628 ( 3.593 -4.001 -2.099) 5.773 8.078 ( 3.935 -1.385 8.835) 9.770 8.384 ( 3.963 0.022 -4.579) 6.056 9.311 ( -16.906 5.437 -3.430) 18.087 10.088 ( 1.126 1.254 -1.320) 2.141 10.465 ( 9.072 -1.906 -11.265) 14.589 19.088 ( 1.138 0.103 1.012) 1.526 19.185 ( 0.225 -1.408 -2.132) 2.565 19.286 ( -0.698 0.176 1.457) 1.625 19.458 ( 0.223 1.350 0.692) 1.533 21.436 ( -4.180 4.407 -0.788) 6.125 21.553 ( -2.059 0.093 1.351) 2.464 21.797 ( -3.590 -0.799 0.953) 3.799 21.996 ( -3.496 -1.485 -0.730) 3.868 24.404 ( -0.155 0.092 -0.088) 0.200 24.413 ( 0.500 -0.417 -0.530) 0.840 24.493 ( -0.287 0.398 0.138) 0.509 24.505 ( 0.459 -0.317 1.053) 1.191 32.555 ( 1.182 0.089 0.466) 1.273 32.600 ( -0.548 0.826 1.169) 1.533 32.678 ( 1.386 -1.743 0.778) 2.359 32.788 ( -0.762 0.128 -2.660) 2.770 41.277 ( -6.112 0.861 -6.240) 8.777 41.523 ( -9.672 0.213 -7.276) 12.106 41.875 ( -0.350 0.865 -4.118) 4.222 42.848 ( -15.095 26.866 18.118) 35.748 45.435 ( -8.628 -16.139 -6.142) 19.304 45.484 ( -6.791 -8.074 3.951) 11.266 46.260 ( 15.640 3.829 2.162) 16.247 47.613 ( 35.001 -8.028 -17.929) 40.137 ======================= Grid point 78 (32/150) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 5.749 4.983 10.668) 13.102 1.847 ( 5.584 1.917 5.256) 7.904 1.929 ( 6.160 7.477 3.447) 10.282 2.221 ( 6.149 9.892 -2.611) 11.937 2.552 ( 4.640 5.263 1.394) 7.153 2.778 ( 2.955 5.501 -1.543) 6.433 2.875 ( 2.853 -11.271 -2.064) 11.808 3.128 ( 2.626 1.026 -2.002) 3.457 3.525 ( 2.961 0.825 -9.064) 9.571 3.599 ( 7.591 -7.299 -1.491) 10.636 3.774 ( 0.701 -5.980 -0.426) 6.036 3.816 ( 0.790 -6.952 -11.478) 13.442 3.991 ( 7.775 -6.740 4.180) 11.106 4.144 ( -0.418 -2.002 4.491) 4.935 4.217 ( 3.641 -4.189 2.023) 5.908 4.335 ( 4.973 0.485 3.620) 6.171 4.482 ( 4.274 -5.731 1.225) 7.254 4.537 ( -3.914 -0.261 1.367) 4.154 4.838 ( 1.053 -6.460 0.312) 6.553 5.019 ( 5.737 10.520 -3.832) 12.581 5.412 ( 1.952 4.625 -4.578) 6.794 5.684 ( 4.895 2.543 -1.544) 5.728 5.877 ( 3.104 -1.661 2.030) 4.064 6.049 ( 3.563 4.650 5.531) 8.057 6.443 ( -0.974 2.015 -1.986) 2.992 6.575 ( -1.806 -3.239 5.598) 6.714 6.784 ( 4.754 -4.222 -0.406) 6.371 7.005 ( -2.891 3.178 1.942) 4.714 7.060 ( 3.443 1.977 3.244) 5.127 7.420 ( -4.301 -1.383 -0.620) 4.560 7.740 ( 4.716 -5.069 -4.608) 8.317 8.198 ( 1.851 -1.572 10.634) 10.908 8.468 ( 10.373 -1.256 -3.956) 11.172 8.977 ( -14.918 7.341 2.420) 16.802 10.079 ( 1.157 1.458 -1.915) 2.671 10.537 ( 6.240 -0.294 -10.229) 11.985 19.096 ( 0.969 1.224 -0.526) 1.647 19.216 ( 1.034 -2.754 -0.373) 2.966 19.281 ( -0.618 0.262 1.384) 1.538 19.438 ( -0.574 2.087 1.066) 2.412 21.324 ( -2.003 3.865 -0.287) 4.362 21.519 ( -1.575 1.314 0.869) 2.228 21.772 ( -3.627 -3.108 0.082) 4.777 21.974 ( -3.401 -3.054 -0.192) 4.575 24.394 ( -1.026 -0.396 -0.143) 1.110 24.430 ( 1.212 -0.243 -0.161) 1.246 24.478 ( -0.804 0.217 -0.418) 0.932 24.524 ( 0.746 0.067 1.494) 1.672 32.571 ( 1.151 0.836 0.392) 1.476 32.591 ( -0.060 0.510 1.126) 1.237 32.725 ( 1.031 -2.160 0.032) 2.393 32.749 ( -2.047 0.284 -2.986) 3.631 41.115 ( -7.309 2.942 -7.742) 11.046 41.388 ( -5.743 -3.303 -6.166) 9.050 41.829 ( -0.978 1.119 -3.781) 4.063 42.484 ( -5.320 18.371 12.028) 22.594 45.470 ( -7.491 -12.796 -6.473) 16.179 45.514 ( -11.095 -13.077 4.053) 17.621 46.423 ( 14.537 8.934 2.357) 17.224 48.073 ( 29.879 -1.174 -11.372) 31.992 ======================= Grid point 79 (33/150) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -7.182 10.814 6.560) 14.545 1.905 ( 6.974 5.865 2.394) 9.422 1.978 ( 12.487 12.137 4.468) 17.977 2.171 ( 5.877 8.449 -3.621) 10.910 2.569 ( 1.540 -2.104 1.287) 2.908 2.699 ( 3.310 10.782 0.370) 11.284 3.072 ( 2.281 -12.040 -3.080) 12.636 3.167 ( 2.122 -0.441 3.239) 3.898 3.447 ( -4.064 -0.469 -8.972) 9.861 3.725 ( 1.651 -3.214 -2.325) 4.296 3.791 ( -1.084 3.812 -7.064) 8.100 3.907 ( 3.511 -5.548 -0.304) 6.572 4.044 ( -4.622 4.076 2.363) 6.600 4.181 ( -5.168 -3.588 3.076) 7.003 4.251 ( 0.454 -2.702 2.318) 3.589 4.464 ( 3.757 0.406 0.127) 3.781 4.502 ( 5.665 2.517 4.941) 7.927 4.683 ( 3.596 -5.608 4.602) 8.096 4.830 ( -2.961 3.363 -4.745) 6.526 5.001 ( 10.353 8.085 -1.377) 13.208 5.376 ( 1.854 2.048 -2.784) 3.922 5.709 ( 2.610 2.354 0.147) 3.518 5.901 ( -0.125 2.091 0.880) 2.272 6.037 ( 1.680 7.307 2.154) 7.801 6.419 ( -0.708 -1.391 0.514) 1.643 6.558 ( -4.775 1.675 1.430) 5.259 6.870 ( 1.368 -0.581 -0.084) 1.488 6.923 ( -2.310 2.239 1.463) 3.534 7.101 ( 2.819 1.965 3.759) 5.093 7.361 ( -5.769 -2.528 -2.175) 6.664 7.824 ( 3.892 -1.367 -5.960) 7.248 8.278 ( -0.604 -1.695 8.376) 8.567 8.670 ( 1.734 -0.706 2.683) 3.271 8.769 ( 4.085 -0.199 5.891) 7.172 10.061 ( 0.736 1.642 -2.819) 3.345 10.552 ( 4.406 1.881 -9.803) 10.911 19.089 ( 1.463 1.466 -1.567) 2.597 19.267 ( 0.079 -1.087 0.593) 1.241 19.283 ( 0.798 -1.373 1.415) 2.127 19.398 ( -1.528 2.382 1.259) 3.097 21.297 ( 2.042 0.189 0.601) 2.137 21.498 ( -0.034 -0.015 -0.154) 0.158 21.762 ( -3.998 -3.926 0.002) 5.603 21.966 ( -3.532 -3.789 -0.081) 5.181 24.385 ( -1.075 -0.653 0.106) 1.262 24.452 ( 1.204 -0.357 0.032) 1.257 24.460 ( -0.875 0.131 -0.440) 0.988 24.539 ( 0.447 0.272 1.331) 1.430 32.568 ( 0.337 1.194 0.070) 1.243 32.599 ( 0.758 0.564 1.341) 1.640 32.687 ( -2.881 0.699 -2.900) 4.147 32.764 ( 0.445 -1.978 -0.801) 2.180 40.908 ( -7.688 4.219 -9.821) 13.167 41.359 ( -3.101 -5.872 -4.106) 7.808 41.791 ( -0.386 -0.020 -2.064) 2.100 42.305 ( -1.506 10.225 6.537) 12.229 45.477 ( -8.521 -12.297 -7.045) 16.536 45.536 ( -9.671 -10.925 3.960) 15.118 46.459 ( 9.077 15.226 2.757) 17.940 48.436 ( 29.327 4.958 -8.586) 30.957 ======================= Grid point 80 (34/150) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -9.786 14.744 7.908) 19.382 1.786 ( 10.462 32.989 4.292) 34.874 2.087 ( 8.377 -1.066 4.526) 9.582 2.208 ( 7.004 -1.087 -5.268) 8.831 2.587 ( 8.008 14.003 -0.018) 16.131 2.690 ( 1.459 -3.346 2.835) 4.621 3.128 ( -9.226 -4.595 -1.852) 10.473 3.229 ( 2.559 0.422 1.878) 3.202 3.360 ( -2.095 2.747 -6.249) 7.140 3.478 ( -11.390 17.018 -2.911) 20.683 3.770 ( 1.092 -3.104 -8.615) 9.222 3.858 ( -6.570 2.682 2.170) 7.421 4.091 ( 2.117 5.731 2.554) 6.622 4.127 ( -1.497 -2.233 2.578) 3.725 4.297 ( -5.670 -10.710 3.182) 12.529 4.462 ( 0.351 5.784 3.136) 6.589 4.565 ( 1.555 2.826 2.560) 4.118 4.690 ( 0.497 7.593 -3.849) 8.527 4.754 ( 0.924 1.526 -1.424) 2.282 5.031 ( 7.313 9.378 0.309) 11.896 5.400 ( 1.522 -3.544 -0.152) 3.860 5.665 ( -3.153 4.866 0.300) 5.806 5.884 ( 3.602 2.190 -1.759) 4.568 5.917 ( -1.762 10.978 -0.656) 11.137 6.373 ( -5.406 4.650 -3.815) 8.087 6.502 ( -0.938 -2.420 6.712) 7.197 6.815 ( -3.336 2.482 -0.275) 4.167 6.938 ( 3.255 2.541 1.253) 4.315 7.152 ( 1.207 -2.667 5.053) 5.840 7.297 ( -6.178 -3.470 -2.376) 7.474 7.824 ( 2.238 3.363 -5.602) 6.906 8.325 ( -1.145 -1.886 5.932) 6.330 8.567 ( -8.344 2.106 10.892) 13.882 9.120 ( 18.030 -9.715 1.951) 20.574 10.033 ( 0.665 1.230 -3.660) 3.918 10.514 ( 3.232 4.451 -10.112) 11.511 19.086 ( 2.011 1.638 -1.675) 3.087 19.261 ( -0.759 0.358 0.772) 1.140 19.342 ( 1.748 -1.409 1.139) 2.518 19.349 ( -2.099 1.033 1.520) 2.790 21.379 ( 4.951 -3.163 1.281) 6.013 21.516 ( 0.877 -1.883 -1.108) 2.354 21.753 ( -3.986 -3.943 0.019) 5.607 21.969 ( -3.055 -4.605 -0.554) 5.554 24.381 ( -1.000 -0.946 0.481) 1.458 24.444 ( -0.779 0.099 -0.446) 0.903 24.475 ( 0.943 -0.545 0.175) 1.103 24.545 ( 0.032 0.280 1.093) 1.129 32.552 ( -0.283 1.218 -0.391) 1.311 32.604 ( 0.026 1.207 0.757) 1.425 32.625 ( -1.729 0.628 -1.046) 2.116 32.783 ( 0.055 -1.390 -1.430) 1.995 40.671 ( -7.433 6.436 -9.064) 13.373 41.392 ( -1.524 -7.041 -2.758) 7.714 41.804 ( 1.091 -1.858 -0.503) 2.213 42.212 ( -0.993 5.573 2.423) 6.158 45.471 ( -6.997 -10.592 -6.279) 14.163 45.556 ( -7.345 -8.920 2.914) 11.917 46.329 ( 2.738 20.033 3.598) 20.536 48.725 ( 29.620 10.349 -12.732) 33.861 ======================= Grid point 81 (35/150) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -6.050 17.284 16.458) 24.621 1.504 ( 9.777 35.934 6.129) 37.741 2.238 ( -0.527 5.279 -5.288) 7.491 2.248 ( 9.684 6.332 2.419) 11.820 2.484 ( -1.643 22.624 3.859) 23.010 2.601 ( 3.392 14.849 -1.196) 15.279 2.954 ( -12.348 2.163 -2.851) 12.856 3.091 ( -0.817 -0.872 -3.056) 3.281 3.285 ( -6.121 8.619 -0.106) 10.572 3.299 ( 1.007 -1.765 2.899) 3.541 3.638 ( -10.582 5.709 -0.647) 12.041 3.792 ( -0.947 -1.209 -8.283) 8.424 4.009 ( 1.385 3.289 6.202) 7.156 4.190 ( -0.622 1.531 0.089) 1.655 4.343 ( -2.705 2.751 -3.964) 5.531 4.409 ( -0.329 -2.794 4.104) 4.975 4.462 ( -1.419 7.245 2.587) 7.822 4.640 ( -2.197 1.938 -3.207) 4.344 4.726 ( 1.294 0.728 0.213) 1.500 4.989 ( 5.539 9.752 -0.616) 11.232 5.484 ( 2.078 -2.850 -3.933) 5.283 5.528 ( -6.538 1.620 2.036) 7.037 5.723 ( -2.271 11.418 -2.167) 11.842 5.924 ( 5.488 2.036 -0.897) 5.922 6.229 ( -3.227 3.683 -0.359) 4.910 6.568 ( -1.100 -2.679 6.601) 7.209 6.738 ( -1.174 3.005 -1.627) 3.613 6.933 ( 2.332 4.835 1.546) 5.586 7.229 ( -6.274 -5.541 0.288) 8.376 7.275 ( 0.102 -5.300 4.433) 6.910 7.751 ( 0.507 6.440 -4.410) 7.821 8.349 ( -3.273 -2.378 1.262) 4.238 8.497 ( -6.512 0.096 8.506) 10.713 9.496 ( 13.618 -8.578 1.294) 16.147 10.018 ( 1.164 -0.327 -3.811) 3.998 10.424 ( 3.385 7.981 -11.071) 14.061 19.084 ( 1.707 2.150 -0.920) 2.895 19.249 ( -0.330 0.746 0.618) 1.023 19.314 ( -1.469 0.253 1.284) 1.967 19.394 ( 0.683 -1.724 0.732) 1.994 21.504 ( 3.493 -3.262 1.371) 4.972 21.550 ( 0.578 -2.503 -1.031) 2.768 21.754 ( -2.592 -4.250 -0.591) 5.013 21.997 ( -1.229 -5.652 -1.728) 6.037 24.385 ( -1.006 -1.332 0.962) 1.926 24.430 ( -0.648 0.067 -0.292) 0.714 24.494 ( 0.436 -0.595 -0.064) 0.740 24.544 ( -0.614 0.064 0.740) 0.963 32.530 ( 0.024 0.894 0.466) 1.009 32.575 ( -0.637 1.137 -0.617) 1.442 32.615 ( -0.101 0.918 1.851) 2.068 32.790 ( 0.233 -0.921 -1.738) 1.980 40.482 ( 1.890 7.920 3.925) 9.039 41.458 ( -0.456 -6.908 -2.284) 7.290 41.848 ( 1.265 -1.977 -1.217) 2.644 42.144 ( -2.078 2.398 0.318) 3.189 45.492 ( -1.407 -7.229 -5.062) 8.936 45.583 ( -5.064 -7.656 1.636) 9.324 46.086 ( -1.721 20.435 5.079) 21.127 48.865 ( 25.849 17.958 -30.828) 44.057 ======================= Grid point 82 (36/150) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 2.948 16.289 24.693) 29.728 1.161 ( -5.263 35.323 8.244) 36.652 1.671 ( 4.533 50.584 5.903) 51.128 2.269 ( 0.308 9.488 -2.049) 9.712 2.361 ( 0.474 -2.083 4.436) 4.924 2.521 ( 5.103 19.544 -1.941) 20.293 2.754 ( 0.525 5.926 -0.381) 5.961 3.042 ( -9.489 0.826 -4.005) 10.332 3.221 ( 4.068 -9.705 -4.272) 11.357 3.378 ( 0.085 -3.388 4.886) 5.946 3.404 ( -6.585 6.471 -1.110) 9.299 3.766 ( 0.589 -2.063 -6.561) 6.903 4.013 ( -1.259 6.115 1.232) 6.364 4.073 ( -1.806 7.110 -2.663) 7.804 4.209 ( -0.514 7.515 0.989) 7.597 4.371 ( 1.832 10.589 1.890) 10.911 4.520 ( 0.380 -3.000 3.075) 4.313 4.620 ( -1.467 -11.950 -5.104) 13.077 4.736 ( 0.714 -0.103 0.042) 0.722 4.970 ( 6.483 5.133 0.150) 8.271 5.404 ( -3.595 0.342 -1.014) 3.751 5.506 ( -2.384 3.441 -1.317) 4.389 5.605 ( 0.629 0.669 -1.865) 2.078 5.958 ( 2.007 2.908 0.505) 3.569 6.182 ( 1.499 2.278 3.016) 4.066 6.594 ( -3.430 -1.623 5.460) 6.649 6.686 ( 1.258 3.544 -2.531) 4.533 6.923 ( 1.309 2.587 3.872) 4.837 7.167 ( -8.681 -2.501 -3.646) 9.742 7.370 ( -1.573 -3.357 5.526) 6.654 7.640 ( 0.619 7.042 -3.438) 7.860 8.217 ( -10.452 7.130 -6.719) 14.325 8.452 ( -4.588 -0.626 3.639) 5.890 9.734 ( 5.828 -5.803 -1.928) 8.447 10.042 ( 1.006 -3.116 -3.241) 4.607 10.311 ( 6.900 10.583 -11.067) 16.795 19.072 ( 0.860 2.072 0.234) 2.256 19.235 ( -0.374 0.861 -0.762) 1.209 19.312 ( -0.434 -0.186 1.606) 1.674 19.410 ( -0.937 -1.360 -0.334) 1.685 21.558 ( -0.474 -1.718 0.643) 1.895 21.589 ( 0.094 -1.972 0.296) 1.996 21.784 ( -0.262 -4.188 -0.602) 4.239 22.053 ( 0.146 -4.991 -2.417) 5.547 24.393 ( -1.705 -1.563 1.474) 2.743 24.421 ( 0.011 0.160 -0.252) 0.298 24.497 ( -0.754 -0.036 -0.434) 0.870 24.530 ( -1.071 0.323 -0.003) 1.119 32.550 ( -0.398 0.803 -0.558) 1.055 32.562 ( 2.849 -0.817 2.843) 4.107 32.611 ( -0.603 0.318 2.251) 2.352 32.798 ( 0.676 -0.579 -1.802) 2.010 40.903 ( 38.702 -24.634 41.146) 61.625 41.519 ( -0.259 -4.956 -3.097) 5.850 41.857 ( 0.126 -0.123 -5.080) 5.083 42.104 ( -2.331 -1.827 1.812) 3.472 45.561 ( 4.859 -0.879 -4.046) 6.383 45.629 ( 1.055 -4.952 -0.650) 5.104 45.849 ( -3.375 12.232 7.723) 14.855 48.474 ( 3.969 48.309 -66.747) 82.490 ======================= Grid point 85 (37/150) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 9.372 -0.000 13.983) 16.834 1.884 ( 4.353 -0.000 5.325) 6.878 1.954 ( -2.381 0.000 -0.988) 2.578 2.488 ( 2.071 -0.000 -8.757) 8.998 2.502 ( 14.202 -0.000 -0.524) 14.212 2.787 ( 1.999 -0.000 3.623) 4.138 2.960 ( 10.951 -0.000 7.350) 13.189 3.211 ( 4.219 -0.000 -0.862) 4.306 3.372 ( 21.453 -0.000 -8.310) 23.006 3.571 ( 0.268 -0.000 -8.190) 8.195 3.646 ( -3.439 0.000 -4.240) 5.459 3.715 ( 0.601 -0.000 -7.066) 7.091 3.793 ( 13.992 -0.000 -2.931) 14.296 4.100 ( 7.280 -0.000 7.908) 10.749 4.199 ( -8.330 0.000 4.891) 9.660 4.325 ( 13.032 -0.000 -0.902) 13.063 4.379 ( 2.586 -0.000 5.184) 5.793 4.633 ( 0.741 -0.000 1.934) 2.071 4.666 ( 2.393 -0.000 -4.110) 4.756 5.174 ( 5.565 -0.000 -1.401) 5.739 5.487 ( 0.969 -0.000 -5.778) 5.858 5.752 ( 4.950 -0.000 1.297) 5.117 5.811 ( 2.954 -0.000 -0.718) 3.040 6.142 ( 4.561 -0.000 9.066) 10.149 6.474 ( 3.701 -0.000 -5.905) 6.969 6.516 ( -4.022 0.000 7.201) 8.248 6.710 ( 4.282 -0.000 0.553) 4.317 7.055 ( -2.442 0.000 0.907) 2.605 7.086 ( 4.418 -0.000 3.563) 5.676 7.398 ( -5.267 0.000 0.307) 5.276 7.674 ( 7.995 -0.000 -4.549) 9.198 8.167 ( 1.375 -0.000 9.818) 9.914 8.463 ( 9.402 -0.000 -3.029) 9.878 9.088 ( -15.538 0.000 -0.640) 15.551 10.106 ( 1.075 -0.000 -1.205) 1.615 10.529 ( 8.666 -0.000 -11.171) 14.138 19.127 ( 2.378 -0.000 1.834) 3.003 19.164 ( 0.198 -0.000 -2.416) 2.424 19.285 ( -0.795 0.000 1.678) 1.857 19.467 ( -0.513 0.000 0.205) 0.553 21.412 ( -3.052 0.000 -0.846) 3.167 21.526 ( -2.128 0.000 1.480) 2.592 21.724 ( -5.574 0.000 1.270) 5.717 21.912 ( -4.900 0.000 -0.835) 4.971 24.388 ( -1.090 0.000 -0.259) 1.121 24.427 ( 1.212 -0.000 -0.147) 1.221 24.481 ( -0.930 0.000 -0.481) 1.047 24.525 ( 0.926 -0.000 1.670) 1.910 32.581 ( 1.607 -0.000 0.883) 1.833 32.608 ( -0.100 0.000 0.862) 0.868 32.684 ( 1.010 -0.000 0.194) 1.028 32.752 ( -2.013 0.000 -3.008) 3.619 41.167 ( -5.604 0.000 -4.587) 7.242 41.335 ( -8.123 0.000 -9.787) 12.719 41.845 ( -1.695 0.000 -3.758) 4.122 42.816 ( -18.220 0.000 12.264) 21.963 45.140 ( -8.406 0.000 -4.286) 9.435 45.390 ( -4.826 0.000 2.553) 5.460 46.562 ( 18.359 -0.000 2.609) 18.544 48.054 ( 36.292 -0.000 -12.406) 38.354 ======================= Grid point 86 (38/150) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -4.376 6.004 5.947) 9.517 1.914 ( 4.902 2.282 2.852) 6.113 1.987 ( 2.536 -3.770 0.457) 4.567 2.470 ( 2.833 -3.674 -4.143) 6.220 2.706 ( 8.630 -0.191 -2.749) 9.059 2.756 ( 2.932 9.621 4.190) 10.896 3.027 ( 4.446 7.021 6.524) 10.565 3.241 ( 2.588 5.048 1.387) 5.840 3.428 ( -6.505 -0.278 -11.666) 13.360 3.620 ( 2.282 -3.191 -4.340) 5.850 3.715 ( 13.828 -6.360 -5.360) 16.137 3.783 ( 7.844 -2.690 -1.234) 8.384 4.073 ( 1.118 -3.336 1.294) 3.749 4.129 ( -2.182 1.176 2.173) 3.297 4.172 ( 5.306 -2.953 4.094) 7.324 4.470 ( 6.628 -0.783 1.914) 6.943 4.528 ( 10.726 -1.485 -0.803) 10.858 4.620 ( 5.670 4.001 1.240) 7.049 4.766 ( 1.753 -4.978 1.619) 5.520 5.239 ( 9.429 5.807 -1.320) 11.152 5.460 ( 1.767 2.500 -5.017) 5.878 5.778 ( 2.090 3.724 1.953) 4.696 5.888 ( 1.475 -3.313 2.835) 4.603 6.202 ( 2.934 4.620 4.345) 6.988 6.398 ( -4.705 -0.115 -1.825) 5.048 6.565 ( 1.041 -0.118 0.190) 1.065 6.809 ( 4.831 -3.117 0.682) 5.790 6.996 ( -4.077 2.243 1.768) 4.978 7.157 ( 3.629 1.334 2.595) 4.656 7.312 ( -6.228 -1.003 -1.323) 6.445 7.789 ( 9.719 -0.805 -6.446) 11.690 8.220 ( -1.147 -1.669 6.294) 6.612 8.623 ( 11.056 -0.818 2.036) 11.272 8.864 ( -12.033 3.105 5.244) 13.488 10.107 ( 1.370 1.372 -1.891) 2.708 10.589 ( 7.251 0.757 -10.123) 12.476 19.136 ( 1.572 2.064 -1.157) 2.841 19.204 ( 2.101 -2.545 1.009) 3.451 19.280 ( -0.990 0.096 1.579) 1.866 19.446 ( -1.433 1.019 0.009) 1.759 21.351 ( -0.749 3.002 -0.105) 3.096 21.507 ( -1.782 -0.194 0.873) 1.993 21.658 ( -5.693 -2.586 0.646) 6.286 21.856 ( -5.270 -3.520 -0.663) 6.372 24.373 ( -1.064 -0.254 -0.078) 1.097 24.444 ( 0.954 -0.164 0.130) 0.977 24.464 ( -0.807 0.082 -0.626) 1.025 24.544 ( 0.565 0.124 1.411) 1.525 32.601 ( 0.287 1.147 0.433) 1.259 32.611 ( 1.212 0.266 1.218) 1.739 32.699 ( -2.486 0.177 -2.841) 3.779 32.710 ( 0.520 -1.644 -0.564) 1.814 41.036 ( -5.151 4.384 -4.443) 8.092 41.221 ( -3.952 -4.195 -7.910) 9.787 41.790 ( -2.899 -0.060 -2.697) 3.960 42.576 ( -11.233 7.782 6.906) 15.311 45.080 ( -8.828 -11.173 -3.273) 14.611 45.356 ( -5.075 -4.005 1.903) 6.739 46.796 ( 16.547 7.885 3.023) 18.578 48.500 ( 31.406 0.716 -9.905) 32.938 ======================= Grid point 87 (39/150) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -6.535 10.755 6.121) 13.994 1.970 ( 3.289 -2.288 1.171) 4.174 2.114 ( 5.597 -5.207 0.807) 7.687 2.491 ( -5.018 6.240 1.405) 8.130 2.689 ( 15.043 11.030 2.196) 18.782 2.810 ( 3.413 0.379 -4.165) 5.398 3.073 ( 3.860 2.904 2.704) 5.535 3.234 ( 1.500 0.580 5.459) 5.691 3.318 ( -1.958 -3.281 -9.118) 9.886 3.624 ( -1.732 -2.974 -7.408) 8.168 3.886 ( 3.693 0.568 -2.140) 4.306 3.915 ( -0.856 6.420 0.903) 6.540 3.961 ( -1.947 -1.025 -2.657) 3.450 4.088 ( -2.852 -3.644 7.643) 8.934 4.341 ( 6.038 5.200 1.029) 8.035 4.528 ( 4.253 1.047 -0.763) 4.446 4.637 ( 5.049 2.542 -1.175) 5.774 4.733 ( 4.525 -2.713 -2.702) 5.928 4.838 ( 4.655 2.383 4.336) 6.793 5.291 ( 10.492 9.595 1.525) 14.299 5.424 ( 1.617 3.358 -3.573) 5.163 5.752 ( -2.790 2.788 4.217) 5.774 5.931 ( 1.263 0.558 0.807) 1.599 6.166 ( 1.025 7.129 -0.055) 7.202 6.369 ( -1.712 -3.011 -0.323) 3.479 6.525 ( -3.584 2.261 -0.679) 4.292 6.876 ( -0.929 1.894 0.463) 2.160 6.939 ( 0.702 -0.457 2.188) 2.343 7.181 ( 1.404 2.077 0.483) 2.553 7.232 ( -5.304 -1.016 -0.901) 5.475 7.892 ( 8.914 1.519 -7.433) 11.705 8.251 ( -1.994 -2.881 3.090) 4.672 8.660 ( -8.599 4.264 10.125) 13.952 8.900 ( 10.851 -6.644 5.857) 14.007 10.089 ( 1.313 2.548 -2.872) 4.057 10.613 ( 5.957 2.840 -9.044) 11.195 19.132 ( 2.261 1.714 -1.627) 3.271 19.263 ( -0.014 -0.332 1.181) 1.227 19.284 ( 1.142 -1.824 1.790) 2.799 19.399 ( -2.394 1.632 -0.020) 2.898 21.342 ( 2.684 0.375 0.778) 2.820 21.489 ( -0.804 -0.201 -0.335) 0.893 21.630 ( -5.183 -4.785 0.331) 7.062 21.831 ( -5.333 -5.277 -0.700) 7.535 24.363 ( -0.883 -0.471 0.155) 1.013 24.445 ( -0.842 0.017 -0.268) 0.884 24.464 ( 0.940 -0.261 -0.082) 0.979 24.553 ( 0.109 0.271 0.942) 0.987 32.584 ( -0.643 1.096 -0.191) 1.285 32.631 ( 1.107 0.762 1.313) 1.879 32.644 ( -1.631 0.825 -1.877) 2.620 32.736 ( 0.185 -1.983 -1.028) 2.241 40.868 ( -3.446 7.562 -3.532) 9.029 41.218 ( -1.398 -5.913 -4.899) 7.805 41.751 ( -2.075 -1.865 -0.990) 2.960 42.380 ( -5.870 6.342 1.992) 8.869 45.103 ( -7.930 -13.589 -2.451) 15.923 45.358 ( -4.788 -6.279 1.026) 7.962 46.858 ( 10.875 17.166 3.509) 20.622 48.862 ( 25.674 1.681 -9.905) 27.570 ======================= Grid point 88 (40/150) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -4.089 14.640 12.497) 19.679 2.088 ( 2.467 -6.460 2.333) 7.298 2.245 ( -0.424 9.619 0.151) 9.629 2.309 ( 6.090 4.548 3.508) 8.371 2.778 ( 1.045 -0.511 -6.893) 6.990 2.833 ( 9.354 5.009 0.458) 10.621 3.024 ( 2.225 7.803 -0.445) 8.127 3.269 ( 0.146 1.861 2.135) 2.836 3.413 ( 6.784 -0.377 0.118) 6.795 3.532 ( -9.454 12.578 0.400) 15.740 3.642 ( -4.520 -4.975 -5.995) 9.007 3.868 ( 1.410 7.927 -3.791) 8.899 4.025 ( -4.027 -3.886 -1.759) 5.866 4.132 ( -2.853 -3.036 1.406) 4.397 4.276 ( 2.851 10.543 6.151) 12.534 4.543 ( 1.502 4.021 -1.911) 4.698 4.616 ( -0.873 4.324 -1.063) 4.538 4.747 ( 1.337 1.834 -1.781) 2.885 4.876 ( 4.587 6.872 0.637) 8.287 5.275 ( 3.959 11.892 0.970) 12.571 5.412 ( 2.757 1.136 1.213) 3.219 5.650 ( -6.591 4.253 2.460) 8.221 5.961 ( 3.993 0.773 -0.778) 4.140 6.036 ( -1.183 10.793 -3.428) 11.385 6.338 ( -2.872 2.861 -3.611) 5.430 6.480 ( -1.584 -2.485 4.960) 5.770 6.814 ( -1.601 3.297 2.155) 4.252 7.002 ( 2.509 -1.901 -0.010) 3.148 7.159 ( -3.570 2.081 1.430) 4.373 7.180 ( -0.507 -1.993 -0.051) 2.057 7.927 ( 7.329 5.882 -6.768) 11.581 8.268 ( -2.626 -3.385 0.282) 4.293 8.539 ( -8.753 3.185 12.825) 15.851 9.211 ( 8.484 -11.657 5.251) 15.344 10.055 ( 1.403 2.708 -3.630) 4.741 10.595 ( 4.957 5.193 -8.444) 11.083 19.140 ( 2.799 1.862 -1.462) 3.666 19.258 ( -0.783 0.071 1.191) 1.427 19.332 ( -1.749 0.345 1.288) 2.199 19.348 ( 0.084 -0.922 0.120) 0.934 21.421 ( 4.146 -2.577 1.339) 5.062 21.494 ( 0.379 -1.586 -0.793) 1.813 21.624 ( -4.295 -5.232 -0.267) 6.775 21.830 ( -3.899 -6.448 -1.405) 7.665 24.361 ( -0.604 -0.645 0.426) 0.981 24.433 ( -0.503 0.087 -0.381) 0.637 24.481 ( 0.580 -0.408 0.109) 0.717 24.551 ( -0.332 0.338 0.389) 0.613 32.556 ( -0.627 0.919 -0.293) 1.150 32.608 ( -0.215 1.394 -0.569) 1.521 32.640 ( 0.392 0.987 1.513) 1.848 32.756 ( 0.158 -1.688 -1.391) 2.193 40.720 ( 0.602 9.487 1.985) 9.711 41.272 ( 0.232 -6.715 -3.026) 7.369 41.769 ( -0.308 -3.572 -0.003) 3.585 42.241 ( -3.735 4.371 -2.322) 6.201 45.176 ( -4.204 -13.559 -1.367) 14.262 45.387 ( -3.394 -7.303 0.024) 8.053 46.717 ( 4.318 24.215 4.626) 25.028 49.095 ( 17.085 3.064 -15.030) 22.961 ======================= Grid point 89 (41/150) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -0.142 15.366 19.264) 24.642 1.981 ( -1.376 25.185 3.421) 25.453 2.185 ( -1.309 -3.215 0.867) 3.578 2.411 ( 0.952 -1.017 0.286) 1.421 2.699 ( -5.774 0.349 -10.669) 12.136 2.869 ( 4.868 2.615 1.237) 5.663 2.965 ( -8.098 29.209 5.059) 30.730 3.049 ( 11.658 6.682 -0.986) 13.474 3.354 ( 0.288 1.723 7.177) 7.387 3.468 ( 2.710 14.259 2.761) 14.774 3.639 ( 1.362 7.954 -7.360) 10.922 3.739 ( -0.227 4.070 -7.157) 8.236 3.983 ( -3.144 -11.730 -1.798) 12.276 4.125 ( -1.988 -5.025 -3.783) 6.597 4.254 ( -0.917 5.258 5.512) 7.673 4.471 ( -0.440 4.809 -4.373) 6.514 4.508 ( -2.829 5.369 1.514) 6.254 4.736 ( 1.350 3.194 -2.002) 4.004 4.810 ( 2.026 10.191 3.510) 10.968 5.159 ( 0.975 8.723 -1.018) 8.836 5.452 ( -1.523 0.453 3.362) 3.719 5.501 ( -2.712 3.962 -2.780) 5.548 5.844 ( -0.625 11.478 -4.806) 12.459 6.000 ( 1.909 0.647 0.256) 2.032 6.266 ( 1.919 3.481 -1.105) 4.126 6.526 ( -1.903 -3.188 5.110) 6.316 6.776 ( 0.822 3.267 1.577) 3.720 7.025 ( 1.547 3.171 -0.855) 3.630 7.078 ( -6.145 -1.874 -0.123) 6.426 7.256 ( 2.519 -4.177 4.359) 6.542 7.884 ( 5.069 10.278 -4.023) 12.146 8.250 ( -4.231 -1.939 -2.968) 5.520 8.454 ( -6.998 1.107 9.955) 12.219 9.463 ( -0.649 -12.861 3.254) 13.282 10.029 ( 1.707 1.577 -3.700) 4.369 10.538 ( 4.503 7.056 -8.462) 11.903 19.142 ( 1.821 2.751 -0.553) 3.345 19.247 ( -1.225 0.201 0.523) 1.347 19.304 ( -0.474 -0.196 1.025) 1.146 19.370 ( -1.045 -1.486 -0.067) 1.818 21.495 ( -1.359 -2.863 0.863) 3.285 21.531 ( 1.203 -2.153 0.273) 2.481 21.653 ( -0.155 -5.576 -1.014) 5.670 21.879 ( -0.114 -7.387 -2.419) 7.774 24.366 ( -0.291 -0.706 0.668) 1.014 24.425 ( 0.051 0.134 -0.384) 0.410 24.491 ( 0.024 -0.302 0.108) 0.321 24.539 ( -0.687 0.381 -0.153) 0.801 32.551 ( 0.746 0.278 0.622) 1.010 32.591 ( 0.900 1.582 0.472) 1.880 32.633 ( -0.529 1.100 1.519) 1.949 32.773 ( 0.588 -1.338 -1.565) 2.141 40.740 ( 11.011 3.485 14.846) 18.809 41.360 ( 1.324 -6.575 -2.218) 7.064 41.814 ( 0.054 -3.107 -0.916) 3.240 42.119 ( -3.636 2.679 -5.287) 6.953 45.325 ( 1.455 -12.624 -0.215) 12.709 45.457 ( 0.587 -7.860 -0.931) 7.936 46.434 ( -0.446 26.639 6.283) 27.374 49.066 ( 1.837 8.995 -27.139) 28.650 ======================= Grid point 90 (42/150) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 3.952 12.052 21.581) 25.032 1.516 ( -10.075 34.533 6.818) 36.613 2.120 ( -2.853 5.633 -0.825) 6.368 2.347 ( -2.171 8.106 -1.315) 8.494 2.505 ( -10.447 1.989 -5.199) 11.838 2.647 ( 3.576 17.499 8.843) 19.929 2.921 ( 5.597 7.290 -0.929) 9.237 3.100 ( 5.618 4.803 -0.089) 7.391 3.257 ( 7.650 16.273 -4.035) 18.428 3.405 ( 2.807 -0.003 6.466) 7.049 3.527 ( 4.954 10.577 -4.541) 12.531 3.739 ( 6.251 -2.004 -6.161) 9.003 4.007 ( -2.548 -1.204 -4.586) 5.382 4.129 ( -2.058 7.804 -0.384) 8.080 4.275 ( 1.197 0.663 0.369) 1.417 4.412 ( -4.583 3.410 -3.946) 6.943 4.423 ( 1.387 -10.913 2.482) 11.278 4.679 ( 4.372 9.218 0.206) 10.205 4.741 ( -1.413 3.560 0.747) 3.903 5.082 ( -0.481 4.635 1.385) 4.862 5.355 ( -2.164 1.158 -2.592) 3.570 5.500 ( 1.245 -0.526 -2.158) 2.546 5.701 ( 2.823 8.545 -3.378) 9.613 6.001 ( -1.024 1.052 2.067) 2.535 6.283 ( 4.906 2.146 0.690) 5.399 6.558 ( -1.406 -0.837 5.898) 6.121 6.754 ( 2.060 4.247 -1.693) 5.015 6.967 ( -3.671 2.564 5.741) 7.281 7.046 ( -1.274 -2.174 -4.591) 5.237 7.371 ( 2.610 -2.904 4.460) 5.928 7.782 ( 3.121 11.817 -1.029) 12.265 8.148 ( -5.362 3.050 -3.420) 7.053 8.404 ( -3.835 0.132 4.137) 5.643 9.544 ( -10.777 -11.530 0.324) 15.786 10.030 ( 2.050 -0.288 -3.158) 3.776 10.471 ( 5.566 6.985 -8.885) 12.598 19.114 ( -0.239 2.661 0.380) 2.699 19.233 ( 0.055 0.583 -0.786) 0.980 19.311 ( -0.830 0.328 0.837) 1.224 19.371 ( -0.569 -2.375 0.373) 2.471 21.480 ( -5.143 -3.506 -0.271) 6.230 21.567 ( -0.644 -1.763 0.574) 1.962 21.741 ( 2.900 -4.345 -0.396) 5.239 21.977 ( 1.886 -5.892 -2.013) 6.506 24.376 ( 0.144 -0.495 0.675) 0.850 24.427 ( 0.570 0.112 -0.475) 0.750 24.488 ( -0.618 0.217 0.267) 0.707 24.522 ( -0.567 0.298 -0.399) 0.755 32.551 ( -0.254 0.410 -0.393) 0.622 32.608 ( -0.430 0.524 2.269) 2.368 32.629 ( 2.611 0.828 1.508) 3.127 32.790 ( 0.841 -0.946 -1.782) 2.186 41.180 ( 14.974 -18.470 24.802) 34.359 41.456 ( 3.595 -6.347 -0.499) 7.312 41.829 ( 1.026 -0.640 -3.552) 3.752 42.026 ( -3.210 -2.188 -3.712) 5.373 45.494 ( 2.455 -8.019 -1.999) 8.622 45.653 ( 10.512 -9.872 0.780) 14.441 46.115 ( -1.940 23.406 7.507) 24.656 48.549 ( -14.886 27.615 -39.159) 50.176 ======================= Grid point 94 (43/150) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -5.813 0.000 -1.943) 6.129 2.010 ( 3.640 -0.000 0.360) 3.658 2.088 ( 3.527 -0.000 11.254) 11.793 2.350 ( -1.870 0.000 -7.366) 7.600 2.846 ( -1.871 0.000 4.877) 5.224 2.872 ( 10.880 -0.000 0.875) 10.915 3.139 ( -0.438 0.000 3.055) 3.086 3.246 ( -6.129 0.000 2.435) 6.595 3.302 ( -1.060 0.000 -7.028) 7.107 3.594 ( 1.415 -0.000 -6.210) 6.369 3.886 ( 5.248 -0.000 -3.293) 6.195 3.898 ( 7.398 -0.000 0.401) 7.409 4.042 ( -2.814 0.000 5.851) 6.493 4.050 ( 2.111 -0.000 -0.631) 2.203 4.389 ( 13.089 -0.000 2.745) 13.374 4.555 ( 6.068 -0.000 -4.983) 7.852 4.619 ( 3.905 -0.000 -7.116) 8.117 4.738 ( 9.623 -0.000 3.267) 10.162 4.864 ( 7.620 -0.000 6.205) 9.827 5.424 ( 9.687 -0.000 1.256) 9.768 5.478 ( 1.889 -0.000 -3.860) 4.298 5.828 ( -3.785 0.000 4.972) 6.248 5.896 ( 2.730 -0.000 2.031) 3.402 6.272 ( 0.447 -0.000 0.597) 0.746 6.319 ( -2.756 0.000 -1.579) 3.177 6.566 ( -1.356 0.000 -2.827) 3.136 6.858 ( 3.874 -0.000 0.577) 3.916 6.968 ( -2.789 0.000 1.814) 3.326 7.199 ( -2.048 0.000 -1.706) 2.666 7.234 ( -0.869 0.000 1.902) 2.091 7.909 ( 11.176 -0.000 -7.510) 13.465 8.209 ( -1.936 0.000 2.910) 3.495 8.754 ( -10.105 0.000 9.569) 13.916 8.780 ( 7.634 -0.000 5.940) 9.673 10.130 ( 1.657 -0.000 -2.291) 2.827 10.652 ( 6.877 -0.000 -8.921) 11.264 19.162 ( 1.222 -0.000 -1.637) 2.043 19.240 ( 3.524 -0.000 1.898) 4.002 19.271 ( -1.349 0.000 1.567) 2.068 19.422 ( -2.370 0.000 -0.802) 2.502 21.368 ( 0.362 -0.000 0.237) 0.433 21.479 ( -1.663 0.000 0.511) 1.739 21.563 ( -5.195 0.000 0.963) 5.284 21.745 ( -5.101 0.000 -1.309) 5.266 24.357 ( -0.824 0.000 0.078) 0.827 24.445 ( -0.755 0.000 -0.127) 0.765 24.461 ( 0.818 -0.000 -0.233) 0.850 24.557 ( 0.119 -0.000 0.971) 0.978 32.601 ( -1.357 0.000 -0.387) 1.411 32.641 ( 1.381 -0.000 1.221) 1.843 32.662 ( -0.838 0.000 -1.458) 1.681 32.699 ( 0.307 -0.000 -0.999) 1.045 41.005 ( -3.194 0.000 0.230) 3.202 41.109 ( 0.118 -0.000 -8.297) 8.297 41.723 ( -3.804 0.000 -1.287) 4.016 42.478 ( -9.855 0.000 1.772) 10.013 44.900 ( -4.748 0.000 -1.487) 4.976 45.269 ( -4.131 0.000 1.039) 4.260 47.102 ( 13.366 -0.000 3.837) 13.906 48.874 ( 24.372 -0.000 -9.878) 26.298 ======================= Grid point 95 (44/150) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -1.748 1.579 5.324) 5.822 2.058 ( 1.102 6.605 6.633) 9.426 2.115 ( 2.976 -3.468 1.161) 4.715 2.404 ( -1.341 -8.388 -1.447) 8.617 2.783 ( -1.396 3.713 -3.069) 5.015 3.022 ( 5.517 1.865 1.048) 5.917 3.123 ( -1.378 -2.323 2.829) 3.911 3.191 ( -0.259 -0.990 -0.474) 1.128 3.302 ( 2.715 0.565 0.930) 2.925 3.576 ( 1.255 0.739 -4.583) 4.809 3.748 ( -9.995 1.476 -6.356) 11.936 3.992 ( 1.265 0.962 1.720) 2.342 4.031 ( -0.687 0.115 1.253) 1.434 4.162 ( 7.607 4.621 4.682) 10.056 4.484 ( 3.481 3.495 -0.730) 4.986 4.602 ( 5.062 -0.346 -7.776) 9.285 4.687 ( 5.696 0.899 -1.391) 5.932 4.841 ( 5.176 6.003 3.619) 8.713 4.969 ( 3.848 0.929 1.878) 4.382 5.452 ( 0.369 1.856 -4.005) 4.429 5.551 ( 7.170 5.181 5.066) 10.194 5.750 ( -5.686 3.569 4.311) 7.978 5.947 ( 0.908 -2.046 0.430) 2.279 6.231 ( -1.069 3.829 -3.811) 5.507 6.319 ( 0.283 -1.350 0.503) 1.469 6.503 ( -2.197 1.805 -0.851) 2.968 6.901 ( 0.797 0.982 -0.699) 1.445 6.941 ( -0.456 -0.120 1.445) 1.520 7.155 ( -1.547 0.036 0.270) 1.571 7.229 ( -0.628 1.463 -0.421) 1.646 8.027 ( 11.060 1.738 -7.371) 13.404 8.197 ( -2.246 -1.608 0.447) 2.798 8.643 ( -9.321 3.776 13.079) 16.499 8.950 ( 3.804 -7.019 7.311) 10.825 10.127 ( 1.432 1.940 -2.884) 3.760 10.690 ( 5.600 1.895 -7.500) 9.550 19.172 ( 1.950 0.592 -1.207) 2.369 19.258 ( -1.328 -0.046 1.459) 1.974 19.305 ( 2.783 -0.732 1.361) 3.184 19.369 ( -3.142 0.752 -1.124) 3.421 21.384 ( 1.909 -0.252 0.958) 2.151 21.468 ( -0.749 -0.817 -0.133) 1.116 21.514 ( -3.688 -2.183 0.520) 4.317 21.693 ( -3.790 -3.319 -1.666) 5.307 24.349 ( -0.445 -0.216 0.261) 0.559 24.434 ( -0.472 0.024 -0.375) 0.604 24.473 ( 0.604 -0.154 0.175) 0.647 24.558 ( -0.317 0.158 0.377) 0.517 32.574 ( -0.990 0.373 -0.670) 1.252 32.646 ( 0.191 1.333 -0.354) 1.392 32.660 ( 0.623 0.425 1.185) 1.405 32.709 ( 0.205 -1.608 -1.153) 1.989 40.935 ( -0.215 5.939 1.749) 6.195 41.130 ( 2.078 -3.881 -4.408) 6.230 41.687 ( -1.922 -2.092 0.467) 2.878 42.336 ( -6.203 2.240 -2.939) 7.220 44.891 ( -2.195 -6.524 -0.233) 6.887 45.240 ( -2.868 -3.200 -0.012) 4.297 47.206 ( 6.564 10.793 4.498) 13.409 49.116 ( 14.692 -0.314 -10.813) 18.245 ======================= Grid point 96 (45/150) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -0.089 10.227 13.288) 16.768 2.073 ( 1.297 -2.520 5.724) 6.387 2.229 ( -0.458 -5.968 2.638) 6.541 2.411 ( -2.535 2.270 0.039) 3.403 2.713 ( 1.752 1.790 -7.828) 8.219 2.963 ( -1.606 6.264 -1.856) 6.728 3.167 ( -0.737 3.919 1.408) 4.229 3.307 ( -2.580 -15.593 3.372) 16.161 3.368 ( 6.332 -1.937 0.669) 6.655 3.560 ( -0.317 6.592 -5.808) 8.791 3.586 ( 4.052 1.698 -0.223) 4.399 3.912 ( -5.567 4.127 -1.965) 7.203 4.028 ( 0.248 1.417 -1.424) 2.024 4.145 ( -0.849 10.110 3.896) 10.868 4.466 ( 2.693 5.963 1.687) 6.757 4.589 ( 1.501 3.738 -9.605) 10.416 4.692 ( 0.759 6.349 3.093) 7.103 4.800 ( 0.204 6.374 2.159) 6.733 4.969 ( -1.544 1.477 -0.617) 2.224 5.381 ( -1.995 4.741 -3.228) 6.073 5.558 ( 2.226 7.893 6.101) 10.221 5.633 ( -4.293 5.090 2.229) 7.022 5.978 ( -0.727 -1.799 -1.181) 2.271 6.103 ( -1.762 6.519 -7.337) 9.971 6.322 ( -0.608 0.485 0.160) 0.794 6.489 ( 2.149 1.319 2.863) 3.815 6.874 ( 0.866 3.843 2.552) 4.694 6.961 ( -0.900 -2.905 -1.382) 3.340 7.162 ( -0.763 2.052 0.300) 2.210 7.184 ( 1.082 -0.492 0.574) 1.320 8.107 ( 10.627 5.779 -5.828) 13.427 8.185 ( -2.541 -2.355 -1.913) 3.958 8.519 ( -10.177 3.784 14.526) 18.136 9.132 ( -1.674 -11.323 6.330) 13.080 10.095 ( 1.120 2.879 -3.317) 4.533 10.685 ( 3.887 4.017 -6.698) 8.723 19.191 ( 2.234 0.807 -0.838) 2.519 19.247 ( -1.566 -0.136 1.398) 2.103 19.305 ( -2.805 0.056 -1.051) 2.996 19.349 ( 1.277 0.161 0.640) 1.437 21.427 ( -1.019 -2.008 1.025) 2.474 21.484 ( 1.003 -1.317 0.404) 1.704 21.518 ( -0.336 -4.180 -0.433) 4.216 21.706 ( -0.034 -5.208 -2.233) 5.667 24.352 ( 0.013 -0.370 0.443) 0.577 24.428 ( 0.025 0.055 -0.430) 0.434 24.484 ( 0.244 -0.227 0.386) 0.510 24.548 ( -0.658 0.278 -0.199) 0.742 32.562 ( 0.349 0.431 -0.170) 0.580 32.632 ( 0.747 1.487 0.257) 1.684 32.660 ( -0.396 0.792 1.091) 1.406 32.730 ( 0.428 -1.777 -1.168) 2.169 40.894 ( 3.865 6.496 6.473) 9.952 41.208 ( 3.151 -4.555 -1.945) 5.870 41.723 ( 0.708 -3.359 1.049) 3.590 42.202 ( -3.931 2.875 -7.320) 8.792 44.999 ( 1.603 -10.613 0.890) 10.770 45.268 ( -0.708 -5.767 -0.982) 5.893 47.072 ( -0.700 19.613 5.610) 20.412 49.180 ( 2.427 1.283 -14.377) 14.637 ======================= Grid point 97 (46/150) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -1.024 11.621 15.198) 19.159 2.139 ( -4.489 -0.725 4.444) 6.358 2.243 ( 0.261 5.629 0.211) 5.639 2.276 ( -7.679 5.330 0.782) 9.381 2.692 ( 2.280 5.799 -4.412) 7.635 2.815 ( -9.378 1.474 -0.503) 9.506 3.038 ( -1.813 6.135 0.054) 6.398 3.371 ( -3.947 -2.429 6.441) 7.935 3.453 ( 4.164 7.045 -5.912) 10.096 3.620 ( 8.264 -0.793 3.649) 9.069 3.722 ( 7.823 0.250 0.410) 7.838 3.757 ( 1.476 -3.532 -8.623) 9.435 3.935 ( -0.301 14.547 0.652) 14.565 4.023 ( -0.872 -2.265 -0.704) 2.527 4.398 ( -1.200 11.091 2.089) 11.349 4.483 ( -0.978 3.138 -5.104) 6.071 4.576 ( -3.772 9.082 2.357) 10.113 4.744 ( -1.374 1.851 -0.991) 2.509 4.926 ( -1.503 1.337 2.087) 2.898 5.237 ( -2.986 7.456 -2.642) 8.455 5.473 ( -3.983 6.796 0.780) 7.915 5.550 ( 1.879 5.117 1.315) 5.608 5.910 ( -1.904 5.005 -5.938) 7.996 6.006 ( -1.339 0.455 -2.141) 2.566 6.320 ( 1.510 0.781 0.293) 1.725 6.543 ( 3.290 0.041 4.197) 5.333 6.856 ( 1.670 4.147 2.494) 5.119 6.964 ( -2.468 -2.436 -1.412) 3.744 7.080 ( -2.178 3.765 -0.873) 4.437 7.285 ( 4.584 -3.112 3.754) 6.693 8.112 ( 6.816 11.079 -0.867) 13.036 8.152 ( -2.636 -0.437 -4.382) 5.133 8.418 ( -7.274 0.927 10.737) 13.002 9.231 ( -9.731 -11.634 4.619) 15.855 10.059 ( 1.199 2.201 -3.264) 4.115 10.633 ( 2.541 5.365 -6.876) 9.084 19.179 ( -1.717 1.999 -0.111) 2.637 19.236 ( 0.557 -0.298 -0.096) 0.639 19.298 ( 0.058 -1.808 0.767) 1.965 19.345 ( -0.681 1.145 -0.315) 1.369 21.402 ( -4.968 -2.046 -0.029) 5.373 21.515 ( -0.683 -1.974 0.614) 2.177 21.616 ( 4.487 -5.010 -0.396) 6.737 21.808 ( 4.389 -6.326 -2.041) 7.966 24.364 ( 0.489 -0.435 0.559) 0.860 24.429 ( 0.503 0.052 -0.479) 0.696 24.489 ( -0.174 -0.063 0.575) 0.604 24.531 ( -0.790 0.303 -0.573) 1.022 32.560 ( -0.004 0.415 -0.415) 0.587 32.632 ( -0.572 0.948 1.202) 1.634 32.655 ( 2.188 1.057 1.282) 2.747 32.754 ( 0.536 -1.732 -1.381) 2.279 40.988 ( 8.182 0.143 12.797) 15.190 41.318 ( 4.142 -4.650 -0.611) 6.256 41.784 ( 1.697 -2.223 0.306) 2.813 42.059 ( -3.484 3.053 -10.524) 11.499 45.217 ( 5.488 -12.169 0.542) 13.360 45.381 ( 4.734 -9.478 -0.481) 10.606 46.765 ( -5.733 23.644 7.093) 25.342 48.964 ( -11.306 8.158 -20.260) 24.593 ======================= Grid point 98 (47/150) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.096 7.003 13.929) 15.590 1.827 ( -10.525 29.623 6.125) 32.028 2.026 ( -11.369 -0.469 1.135) 11.435 2.268 ( -3.060 -3.965 -4.434) 6.689 2.538 ( -1.410 14.409 -1.500) 14.556 2.676 ( -7.609 -1.909 4.179) 8.888 3.041 ( 4.272 1.134 0.067) 4.421 3.326 ( -1.579 8.617 -4.426) 9.815 3.403 ( 4.385 -0.162 -1.471) 4.628 3.616 ( 5.281 9.761 4.007) 11.799 3.730 ( 6.342 11.360 0.962) 13.046 3.871 ( 8.897 -2.611 -2.994) 9.743 3.927 ( 4.891 -0.874 -5.531) 7.434 4.207 ( -2.909 5.223 0.971) 6.057 4.243 ( 9.608 -10.604 0.046) 14.310 4.376 ( -5.555 5.239 -0.898) 7.689 4.419 ( -3.416 6.376 1.413) 7.370 4.693 ( -2.500 0.749 -1.601) 3.062 4.878 ( -0.433 6.547 1.419) 6.713 5.106 ( -3.807 4.301 0.785) 5.797 5.343 ( -0.996 3.846 -2.651) 4.776 5.528 ( 2.899 2.170 -3.622) 5.122 5.818 ( 2.297 4.767 -3.292) 6.232 5.980 ( -2.594 -1.197 1.246) 3.117 6.348 ( 2.523 -0.226 0.562) 2.595 6.615 ( 2.325 0.646 5.569) 6.069 6.831 ( 1.547 4.350 -1.492) 4.852 6.946 ( -2.004 -0.326 3.492) 4.040 7.011 ( -1.800 0.736 -1.387) 2.389 7.408 ( 3.658 -2.143 3.235) 5.333 8.007 ( 0.969 14.168 2.103) 14.356 8.089 ( -1.803 0.185 -1.691) 2.479 8.394 ( -0.211 0.857 3.129) 3.251 9.198 ( -15.729 -10.251 3.142) 19.036 10.046 ( 1.602 0.574 -2.837) 3.309 10.564 ( 2.882 4.632 -7.813) 9.529 19.122 ( -2.133 1.349 -0.212) 2.533 19.253 ( 1.387 0.525 -0.233) 1.501 19.305 ( -1.447 1.621 -0.512) 2.232 19.343 ( 0.662 -2.758 1.727) 3.320 21.352 ( -4.996 -2.441 -0.448) 5.579 21.521 ( -1.848 -1.919 0.099) 2.666 21.748 ( 4.650 -3.649 -0.113) 5.912 21.945 ( 4.031 -4.831 -1.129) 6.392 24.383 ( 0.865 -0.369 0.520) 1.074 24.433 ( 0.481 0.151 -0.636) 0.812 24.486 ( -0.449 0.215 0.617) 0.793 24.515 ( -0.486 0.123 -0.311) 0.590 32.550 ( -0.186 0.273 -0.413) 0.529 32.607 ( -1.472 0.699 1.082) 1.957 32.699 ( 3.354 0.993 1.472) 3.795 32.774 ( 0.276 -1.525 -1.878) 2.435 41.212 ( 2.446 -7.043 7.684) 10.707 41.448 ( 4.162 -5.255 2.798) 7.264 41.850 ( 4.559 -1.723 1.110) 4.999 41.927 ( -2.819 -0.737 -8.385) 8.877 45.428 ( 5.352 -9.183 -3.146) 11.085 45.683 ( 11.883 -12.829 2.900) 17.726 46.400 ( -6.832 22.011 7.527) 24.245 48.437 ( -16.491 18.495 -23.553) 34.187 ======================= Grid point 103 (48/150) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 4.222 -0.000 10.814) 11.609 2.129 ( 0.896 -0.000 4.421) 4.511 2.155 ( -5.191 0.000 5.149) 7.311 2.308 ( 2.502 -0.000 -3.132) 4.009 2.783 ( -0.459 -0.000 -0.599) 0.754 2.982 ( -3.323 -0.000 0.159) 3.327 3.078 ( -2.077 -0.000 -3.408) 3.991 3.235 ( -0.432 -0.000 0.635) 0.768 3.377 ( 4.332 -0.000 3.970) 5.876 3.602 ( 3.837 -0.000 -3.381) 5.114 3.633 ( 0.798 -0.000 -9.158) 9.193 3.974 ( -5.924 -0.000 3.512) 6.887 4.027 ( -0.688 -0.000 1.582) 1.725 4.295 ( 1.269 -0.000 4.924) 5.085 4.540 ( 1.535 -0.000 0.256) 1.556 4.601 ( 3.765 -0.000 -12.399) 12.958 4.797 ( 3.884 -0.000 3.444) 5.191 4.957 ( -5.598 0.000 -1.861) 5.899 4.971 ( 0.480 -0.000 5.873) 5.892 5.427 ( -1.985 -0.000 -4.772) 5.168 5.655 ( -1.533 -0.000 5.231) 5.451 5.760 ( 0.489 -0.000 4.166) 4.195 5.910 ( -2.512 -0.000 -0.790) 2.633 6.192 ( -2.798 -0.000 -8.311) 8.769 6.332 ( -0.419 -0.000 1.926) 1.971 6.527 ( 4.419 -0.000 1.765) 4.758 6.900 ( -0.215 -0.000 -2.123) 2.134 6.953 ( 0.317 -0.000 1.765) 1.794 7.160 ( 1.133 -0.000 2.095) 2.382 7.206 ( -2.219 -0.000 -3.288) 3.967 8.150 ( -2.354 -0.000 -1.467) 2.774 8.180 ( 12.267 -0.000 -5.526) 13.454 8.597 ( -10.632 -0.000 14.473) 17.958 8.954 ( -1.542 -0.000 8.190) 8.334 10.141 ( 0.717 -0.000 -3.033) 3.117 10.739 ( 3.921 -0.000 -6.047) 7.206 19.197 ( 1.714 -0.000 -0.643) 1.831 19.245 ( -1.308 -0.000 1.605) 2.071 19.304 ( -3.625 -0.000 -1.388) 3.882 19.359 ( 2.419 -0.000 0.139) 2.423 21.400 ( -0.075 -0.000 1.216) 1.218 21.456 ( 0.146 -0.000 -0.442) 0.465 21.470 ( -0.933 -0.000 0.723) 1.181 21.634 ( 0.446 -0.000 -2.169) 2.214 24.347 ( 0.069 -0.000 0.398) 0.404 24.428 ( 0.014 -0.000 -0.436) 0.436 24.481 ( 0.300 -0.000 0.479) 0.565 24.552 ( -0.672 -0.000 -0.202) 0.702 32.568 ( 0.336 -0.000 -0.407) 0.527 32.665 ( -0.748 0.000 0.204) 0.775 32.666 ( 0.805 -0.000 0.564) 0.983 32.697 ( 0.498 -0.000 -0.745) 0.896 40.998 ( 1.091 -0.000 4.452) 4.584 41.142 ( 4.928 -0.000 -2.443) 5.500 41.670 ( 1.102 -0.000 2.193) 2.454 42.243 ( -4.082 -0.000 -7.720) 8.733 44.848 ( 1.410 -0.000 1.327) 1.937 45.188 ( -0.939 -0.000 -1.107) 1.452 47.347 ( -1.153 -0.000 5.085) 5.214 49.188 ( 3.129 -0.000 -11.182) 11.612 ======================= Grid point 105 (49/150) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -1.229 7.191 11.460) 13.585 2.094 ( -0.637 -1.222 6.620) 6.762 2.126 ( -7.536 -2.463 1.969) 8.169 2.387 ( 4.830 -3.334 -2.759) 6.485 2.778 ( 2.830 3.195 0.660) 4.318 2.998 ( -2.750 2.237 -3.085) 4.700 3.036 ( -2.983 -8.371 1.561) 9.023 3.154 ( -4.519 1.114 -2.148) 5.127 3.456 ( 3.017 0.024 3.358) 4.515 3.632 ( 5.320 1.268 -8.889) 10.436 3.681 ( 8.806 -0.180 -5.849) 10.573 3.895 ( -4.257 3.529 7.399) 9.237 4.015 ( -1.757 -0.032 2.513) 3.066 4.248 ( -5.019 6.314 4.441) 9.208 4.524 ( -1.512 2.091 -0.755) 2.689 4.578 ( 0.142 0.270 -9.916) 9.921 4.747 ( -8.123 4.922 -0.026) 9.498 4.873 ( -5.781 -3.533 2.290) 7.151 4.916 ( -3.872 7.601 7.035) 11.057 5.351 ( -3.295 1.131 -5.935) 6.882 5.623 ( -2.399 3.210 2.129) 4.538 5.733 ( -0.256 6.997 4.747) 8.459 5.895 ( -3.412 -3.901 -1.202) 5.321 6.069 ( -3.514 2.367 -11.243) 12.015 6.335 ( -0.010 0.294 2.867) 2.882 6.594 ( 4.404 3.405 1.758) 5.838 6.892 ( -1.490 -2.911 -1.637) 3.657 6.962 ( 1.576 2.844 3.053) 4.460 7.135 ( -3.192 0.578 -4.533) 5.574 7.222 ( 4.186 -1.473 2.515) 5.101 8.107 ( -2.738 -1.057 -3.519) 4.582 8.329 ( 13.010 2.845 -2.844) 13.617 8.483 ( -11.355 3.857 15.300) 19.439 8.985 ( -6.458 -6.004 7.890) 11.833 10.118 ( 0.115 1.584 -3.256) 3.623 10.738 ( 1.902 2.269 -5.490) 6.238 19.216 ( -0.373 0.699 -0.421) 0.897 19.227 ( -1.198 0.076 0.145) 1.210 19.253 ( -1.727 -1.437 0.316) 2.268 19.384 ( 1.673 1.114 -0.607) 2.099 21.386 ( -2.101 0.721 0.683) 2.324 21.466 ( -0.419 -2.135 -0.196) 2.184 21.508 ( 3.755 -2.145 0.499) 4.354 21.680 ( 4.503 -2.842 -1.923) 5.661 24.355 ( 0.557 -0.177 0.529) 0.788 24.430 ( 0.461 0.016 -0.449) 0.644 24.487 ( 0.054 -0.056 0.807) 0.811 24.537 ( -0.915 0.129 -0.660) 1.136 32.572 ( 0.497 0.399 -0.624) 0.892 32.647 ( -1.132 0.204 0.153) 1.161 32.680 ( 1.562 0.906 0.951) 2.040 32.710 ( 0.372 -1.389 -0.631) 1.570 41.043 ( 3.853 2.151 6.176) 7.591 41.228 ( 5.476 -1.862 0.361) 5.795 41.735 ( 3.862 -1.220 2.550) 4.786 42.131 ( -2.333 1.772 -12.443) 12.783 44.947 ( 5.006 -6.441 2.468) 8.523 45.204 ( 1.360 -3.607 -1.881) 4.290 47.231 ( -8.740 10.016 5.782) 14.496 49.080 ( -8.116 1.700 -12.482) 14.985 ======================= Grid point 106 (50/150) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -7.251 6.907 7.104) 12.278 1.995 ( -11.273 -1.441 -2.065) 11.551 2.178 ( -1.263 -1.452 6.464) 6.744 2.456 ( 3.868 6.841 0.365) 7.867 2.681 ( -14.096 10.384 2.224) 17.648 2.827 ( 2.027 6.222 -0.897) 6.605 3.067 ( -1.001 -1.004 -5.719) 5.892 3.201 ( -1.565 -8.295 8.065) 11.674 3.469 ( -1.052 -1.024 -5.232) 5.434 3.707 ( 9.764 -3.908 -4.681) 11.512 3.772 ( 1.943 -0.238 -1.672) 2.575 3.863 ( 3.557 2.650 3.108) 5.416 4.011 ( 1.481 4.235 0.386) 4.503 4.110 ( -0.511 4.860 6.370) 8.028 4.442 ( -7.613 3.284 0.574) 8.311 4.445 ( -7.749 1.251 -5.251) 9.443 4.570 ( -5.964 3.338 -0.555) 6.857 4.777 ( -5.693 5.400 6.710) 10.324 4.873 ( -2.603 -1.955 2.096) 3.872 5.239 ( -2.921 3.323 -6.055) 7.499 5.516 ( -2.709 7.071 -0.612) 7.597 5.659 ( 0.288 6.707 0.684) 6.748 5.863 ( -3.304 -1.293 -3.383) 4.903 5.951 ( -2.744 -0.329 -6.304) 6.883 6.355 ( 1.029 0.234 2.965) 3.147 6.609 ( 1.352 0.923 1.710) 2.368 6.892 ( -2.519 -2.112 -1.387) 3.568 6.967 ( 3.342 3.885 2.508) 5.706 7.051 ( -4.052 0.926 -3.053) 5.158 7.343 ( 5.306 -2.657 3.175) 6.730 8.054 ( -3.243 -1.406 -5.394) 6.449 8.333 ( -11.690 4.873 16.123) 20.503 8.458 ( 14.312 7.434 -1.873) 16.236 8.974 ( -11.590 -6.391 7.252) 15.092 10.079 ( 0.282 1.620 -3.258) 3.650 10.681 ( 0.496 3.929 -6.239) 7.389 19.153 ( -3.190 1.005 -0.870) 3.456 19.246 ( 0.876 -0.633 0.192) 1.098 19.272 ( -0.323 -2.118 1.714) 2.744 19.372 ( 0.795 2.443 -1.245) 2.855 21.339 ( -2.263 1.419 0.325) 2.691 21.480 ( -0.477 -1.249 -0.382) 1.390 21.632 ( 5.598 -4.638 0.492) 7.286 21.808 ( 6.097 -4.950 -1.335) 7.966 24.373 ( 0.940 -0.305 0.598) 1.155 24.436 ( 0.676 0.059 -0.404) 0.790 24.491 ( -0.234 0.149 0.931) 0.971 24.517 ( -0.851 0.045 -0.685) 1.093 32.562 ( -0.217 0.672 -0.829) 1.089 32.624 ( -1.726 0.416 0.560) 1.862 32.710 ( 2.041 -0.783 -0.444) 2.231 32.733 ( 1.003 -0.663 0.238) 1.225 41.133 ( 5.038 0.203 6.442) 8.181 41.352 ( 5.912 -2.611 2.167) 6.816 41.821 ( 4.331 -0.360 2.150) 4.849 41.987 ( -2.325 3.287 -15.652) 16.161 45.171 ( 7.053 -9.650 0.225) 11.955 45.339 ( 7.279 -10.888 0.416) 13.104 46.920 ( -13.484 15.641 6.675) 21.703 48.759 ( -16.737 7.245 -14.554) 23.333 ======================= Grid point 107 (51/150) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -6.236 1.308 5.704) 8.552 1.828 ( -12.831 -0.491 -2.205) 13.028 2.005 ( -13.950 19.443 6.574) 24.816 2.196 ( -4.855 4.960 -4.814) 8.447 2.537 ( -6.380 -1.802 0.299) 6.637 2.726 ( 1.350 10.979 2.938) 11.446 3.088 ( 2.524 -1.919 -0.299) 3.185 3.312 ( -0.700 -2.096 7.203) 7.535 3.447 ( 3.861 -0.182 -7.771) 8.680 3.730 ( -1.945 2.878 2.426) 4.237 3.851 ( -0.214 0.077 -0.314) 0.388 3.924 ( 5.307 -3.036 -2.882) 6.759 4.042 ( 7.713 0.305 -3.638) 8.533 4.170 ( -1.565 -2.383 1.916) 3.435 4.300 ( 2.394 -2.630 1.105) 3.724 4.333 ( -6.329 1.989 3.296) 7.408 4.457 ( -1.720 5.082 -0.902) 5.440 4.664 ( -5.287 3.351 3.287) 7.070 4.864 ( -3.123 -1.960 0.108) 3.689 5.115 ( -4.106 5.370 -1.958) 7.038 5.393 ( -0.299 5.946 -1.430) 6.123 5.582 ( 2.217 3.117 -6.151) 7.243 5.844 ( 0.095 -1.523 -1.398) 2.070 5.915 ( -2.671 -2.510 -0.437) 3.691 6.387 ( 1.494 0.133 2.434) 2.859 6.629 ( -2.051 -1.962 2.726) 3.935 6.869 ( -0.997 -0.058 -1.329) 1.663 6.960 ( -3.419 -0.189 -3.528) 4.916 6.990 ( 2.547 3.168 4.512) 6.073 7.451 ( 2.745 -1.131 2.354) 3.789 7.990 ( -3.352 -0.632 -6.262) 7.131 8.199 ( -7.063 5.214 16.054) 18.298 8.541 ( 13.395 9.592 -2.662) 16.688 8.891 ( -14.046 -5.208 7.125) 16.589 10.056 ( 0.738 0.524 -3.046) 3.177 10.599 ( 0.639 3.305 -7.881) 8.570 19.098 ( -1.958 0.518 -1.004) 2.260 19.265 ( 0.294 -0.516 0.533) 0.798 19.302 ( -0.449 -1.010 1.294) 1.702 19.347 ( 0.826 1.311 -0.243) 1.569 21.294 ( -1.222 1.359 0.286) 1.850 21.485 ( -0.140 -0.746 -0.288) 0.812 21.769 ( 4.168 -3.524 0.192) 5.461 21.948 ( 4.459 -3.992 -0.584) 6.013 24.396 ( 0.972 -0.274 0.542) 1.146 24.440 ( 0.374 0.388 -0.287) 0.611 24.482 ( -0.628 0.175 -0.206) 0.684 24.511 ( -0.089 -0.134 0.755) 0.772 32.548 ( -0.108 0.212 -0.553) 0.602 32.596 ( -1.468 0.366 0.757) 1.691 32.736 ( -0.542 -2.162 -2.242) 3.161 32.762 ( 2.419 0.876 0.758) 2.682 41.195 ( -0.118 0.497 -2.853) 2.899 41.475 ( 3.360 -1.493 3.433) 5.031 41.835 ( -1.880 0.928 -12.676) 12.849 41.920 ( 5.341 -2.113 4.515) 7.305 45.377 ( 6.684 -9.386 -3.951) 12.181 45.698 ( 11.490 -14.492 3.399) 18.804 46.532 ( -13.936 15.721 6.506) 21.993 48.301 ( -13.680 10.719 -14.559) 22.671 ======================= Grid point 113 (52/150) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -11.622 0.000 3.540) 12.149 1.958 ( -11.382 0.000 -3.226) 11.831 2.153 ( 1.989 -0.000 11.051) 11.229 2.487 ( 10.498 -0.000 2.445) 10.779 2.777 ( -6.508 0.000 -7.497) 9.928 2.904 ( 2.524 -0.000 7.790) 8.189 3.032 ( -7.057 0.000 -1.999) 7.334 3.183 ( 9.477 -0.000 1.762) 9.639 3.425 ( -7.183 0.000 -5.023) 8.765 3.685 ( 7.859 -0.000 -6.659) 10.300 3.742 ( 2.298 -0.000 -3.615) 4.284 3.959 ( 1.129 -0.000 11.550) 11.605 4.009 ( -0.658 0.000 2.630) 2.711 4.216 ( -6.982 0.000 4.791) 8.468 4.436 ( -13.654 0.000 -9.345) 16.546 4.463 ( -8.680 0.000 1.680) 8.841 4.632 ( -3.769 0.000 -1.625) 4.105 4.778 ( -9.761 0.000 6.798) 11.895 4.930 ( -5.219 0.000 6.854) 8.615 5.269 ( -3.058 0.000 -8.298) 8.844 5.629 ( -1.251 0.000 1.332) 1.828 5.779 ( -3.420 0.000 -3.611) 4.973 5.817 ( -1.486 0.000 6.049) 6.228 5.948 ( -4.892 0.000 -14.398) 15.206 6.356 ( 0.127 -0.000 3.466) 3.468 6.668 ( 0.232 -0.000 0.545) 0.592 6.807 ( -4.038 0.000 -1.713) 4.386 7.050 ( 4.088 -0.000 4.952) 6.422 7.051 ( -3.809 0.000 -6.670) 7.681 7.295 ( 5.209 -0.000 2.282) 5.687 8.032 ( -3.211 0.000 -5.200) 6.112 8.359 ( -11.976 0.000 14.339) 18.683 8.611 ( 14.929 -0.000 2.041) 15.068 8.882 ( -8.435 0.000 8.903) 12.264 10.106 ( -0.483 0.000 -3.477) 3.511 10.739 ( -0.006 0.000 -5.303) 5.303 19.170 ( -3.559 0.000 -1.328) 3.798 19.230 ( -0.009 0.000 0.530) 0.530 19.244 ( 0.621 -0.000 1.567) 1.685 19.409 ( 1.199 -0.000 -1.499) 1.919 21.392 ( 0.079 -0.000 1.102) 1.105 21.445 ( 0.667 -0.000 -0.831) 1.066 21.560 ( 4.743 -0.000 0.743) 4.801 21.732 ( 5.984 -0.000 -1.461) 6.160 24.369 ( 0.945 -0.000 0.623) 1.132 24.437 ( 0.729 -0.000 -0.329) 0.799 24.493 ( 0.001 -0.000 1.260) 1.260 24.518 ( -1.109 0.000 -0.967) 1.471 32.576 ( 0.083 -0.000 -1.058) 1.061 32.625 ( -1.643 0.000 -0.043) 1.643 32.688 ( -0.570 0.000 -1.242) 1.367 32.732 ( 2.659 -0.000 1.421) 3.014 41.150 ( 5.146 -0.000 4.799) 7.036 41.315 ( 6.454 -0.000 2.659) 6.980 41.818 ( 5.412 -0.000 2.967) 6.171 42.040 ( -0.785 0.000 -18.216) 18.233 45.013 ( 7.505 -0.000 3.919) 8.467 45.197 ( 2.841 -0.000 -2.643) 3.880 47.136 ( -16.012 0.000 5.624) 16.971 48.850 ( -15.750 0.000 -11.279) 19.372 ======================= Grid point 114 (53/150) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -12.778 2.196 1.233) 13.023 1.784 ( -10.929 -2.149 -5.055) 12.232 2.175 ( -4.441 1.133 5.703) 7.317 2.554 ( -1.299 5.583 0.851) 5.795 2.686 ( -13.890 19.758 -0.707) 24.162 2.837 ( 2.361 -10.454 1.122) 10.776 2.986 ( -1.210 -0.287 3.667) 3.872 3.306 ( 5.856 2.733 0.758) 6.507 3.322 ( -4.476 -6.680 -3.809) 8.898 3.730 ( -3.926 -3.635 -0.469) 5.371 3.786 ( 6.620 -1.617 -3.227) 7.541 3.934 ( -2.987 6.075 4.400) 8.074 4.068 ( 0.605 -2.339 0.662) 2.505 4.115 ( -10.448 -1.531 1.955) 10.739 4.230 ( -4.424 -1.985 -3.428) 5.938 4.345 ( -7.610 -0.307 6.272) 9.866 4.565 ( -4.325 4.073 2.567) 6.472 4.683 ( -8.708 -3.764 6.031) 11.241 4.867 ( -4.072 2.163 3.280) 5.658 5.177 ( -2.869 0.249 -8.635) 9.102 5.572 ( -1.185 6.431 -0.242) 6.544 5.715 ( -1.359 4.092 -5.675) 7.127 5.763 ( -4.189 -1.985 -4.588) 6.522 5.855 ( -3.010 -3.036 -2.680) 5.046 6.373 ( -0.803 -0.918 3.261) 3.482 6.625 ( -2.261 2.229 1.012) 3.332 6.782 ( -3.923 -4.871 -1.258) 6.379 6.958 ( -3.691 -0.145 -6.727) 7.675 7.113 ( 4.304 4.366 5.010) 7.918 7.400 ( 4.376 -2.274 2.720) 5.632 7.955 ( -3.604 -0.973 -6.622) 7.602 8.249 ( -13.155 0.092 17.584) 21.960 8.790 ( -1.616 2.419 6.609) 7.220 8.838 ( 9.362 3.681 3.644) 10.700 10.075 ( -0.187 0.649 -3.629) 3.691 10.680 ( -1.452 2.128 -6.656) 7.137 19.113 ( -2.609 0.505 -1.012) 2.844 19.239 ( -0.176 -1.175 0.383) 1.248 19.268 ( 0.574 -0.469 2.094) 2.222 19.403 ( 0.750 1.513 -1.815) 2.479 21.376 ( 1.336 4.017 0.966) 4.342 21.471 ( 1.327 -0.935 -0.575) 1.722 21.663 ( 5.206 -3.352 0.784) 6.241 21.840 ( 6.258 -3.126 -0.992) 7.065 24.389 ( 1.140 -0.148 0.666) 1.329 24.447 ( 0.771 0.123 0.009) 0.781 24.491 ( -0.934 0.401 -0.476) 1.123 24.504 ( -0.184 -0.342 1.060) 1.129 32.562 ( -0.362 0.698 -1.167) 1.408 32.601 ( -1.758 -0.094 0.298) 1.786 32.679 ( -0.830 -1.604 -1.827) 2.569 32.776 ( 2.384 0.227 0.778) 2.518 41.243 ( 5.540 1.892 1.097) 5.956 41.442 ( 6.822 -0.870 3.683) 7.802 41.895 ( 0.341 2.455 -16.478) 16.664 41.913 ( 3.074 0.418 -2.880) 4.233 45.187 ( 7.262 -3.771 0.343) 8.190 45.314 ( 7.919 -10.968 1.083) 13.571 46.845 ( -19.802 6.691 5.516) 21.618 48.493 ( -19.508 3.785 -11.112) 22.768 ======================= Grid point 115 (54/150) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -14.675 -2.822 -0.681) 14.959 1.600 ( -14.873 0.624 -4.238) 15.478 2.035 ( -12.836 13.105 6.044) 19.314 2.170 ( -5.481 5.966 -3.550) 8.846 2.438 ( -6.761 2.567 -2.536) 7.664 2.895 ( -0.541 8.732 4.050) 9.640 3.073 ( 0.298 -9.191 6.080) 11.024 3.344 ( -0.076 0.423 5.966) 5.982 3.372 ( -0.927 -9.128 -6.403) 11.188 3.670 ( -9.480 -1.285 -1.320) 9.657 3.793 ( -6.970 0.611 2.486) 7.425 3.896 ( 3.431 -2.076 -6.700) 7.809 3.999 ( -4.875 -4.395 -1.362) 6.703 4.141 ( 1.070 -3.903 -0.398) 4.067 4.280 ( 2.163 -5.902 1.644) 6.497 4.332 ( -0.437 0.203 7.531) 7.547 4.469 ( -4.893 0.497 4.295) 6.530 4.646 ( -2.205 2.116 3.206) 4.429 4.812 ( -1.892 -0.274 -0.342) 1.942 5.067 ( -6.181 2.253 -4.869) 8.184 5.475 ( 1.015 6.394 0.186) 6.477 5.582 ( -0.898 1.036 -9.365) 9.465 5.785 ( -0.843 -4.756 -0.014) 4.830 5.837 ( -2.550 -2.385 -1.856) 3.954 6.394 ( -1.729 -2.564 2.547) 4.007 6.573 ( -3.786 0.665 2.336) 4.498 6.784 ( -3.076 -4.704 -1.172) 5.741 6.887 ( -2.284 -1.099 -4.427) 5.101 7.132 ( 4.224 5.916 4.694) 8.653 7.478 ( 0.494 -0.495 1.957) 2.078 7.889 ( -3.084 -2.002 -6.290) 7.286 8.181 ( -8.763 -1.505 19.078) 21.048 8.710 ( -9.770 -0.511 8.765) 13.135 8.950 ( 16.855 13.708 -0.975) 21.747 10.050 ( 0.355 0.341 -3.595) 3.629 10.582 ( -1.676 1.930 -9.163) 9.513 19.072 ( -1.263 0.234 -1.123) 1.707 19.255 ( -0.392 -1.432 0.165) 1.494 19.294 ( 0.172 -0.790 2.400) 2.532 19.379 ( 0.557 2.120 -1.016) 2.416 21.352 ( 2.625 4.619 1.082) 5.422 21.496 ( 1.954 0.283 -0.258) 1.991 21.781 ( 3.216 -3.217 0.403) 4.567 21.965 ( 4.483 -3.075 -0.415) 5.452 24.410 ( 0.716 0.053 0.625) 0.951 24.453 ( 0.462 0.558 0.208) 0.753 24.470 ( -0.616 0.016 -0.649) 0.895 24.516 ( 0.141 -0.221 1.793) 1.812 32.545 ( -0.235 0.155 -0.876) 0.920 32.581 ( -1.239 -0.166 0.698) 1.432 32.679 ( -1.376 -2.188 -2.284) 3.450 32.802 ( 1.404 0.517 -0.237) 1.515 41.195 ( -1.358 7.940 -15.025) 17.048 41.544 ( 2.768 1.546 3.524) 4.740 41.758 ( 0.769 -0.541 -13.056) 13.090 41.993 ( 3.897 -1.182 4.404) 5.999 45.343 ( 6.591 -7.626 -3.954) 10.827 45.682 ( 10.090 -15.454 3.396) 18.766 46.469 ( -19.078 8.571 4.735) 21.445 48.136 ( -10.668 1.190 -10.408) 14.951 ======================= Grid point 122 (55/150) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -19.021 0.000 -2.644) 19.204 1.597 ( -8.140 0.000 -6.385) 10.346 2.154 ( -1.875 0.000 5.365) 5.683 2.493 ( -17.228 0.000 -1.300) 17.277 2.667 ( -14.821 0.000 -5.040) 15.655 2.709 ( -19.251 0.000 0.032) 19.251 2.891 ( 4.047 -0.000 7.937) 8.909 3.207 ( 4.415 -0.000 -3.350) 5.542 3.484 ( 5.551 -0.000 3.661) 6.649 3.580 ( -10.316 0.000 4.420) 11.223 3.751 ( -8.263 0.000 -1.850) 8.467 3.884 ( -9.350 0.000 0.121) 9.351 4.014 ( 3.461 -0.000 -1.960) 3.977 4.038 ( -0.457 0.000 4.296) 4.320 4.176 ( -1.459 0.000 -5.494) 5.684 4.329 ( -4.257 0.000 5.743) 7.149 4.488 ( -9.763 0.000 13.046) 16.294 4.637 ( 2.093 -0.000 2.097) 2.962 4.817 ( -5.490 0.000 2.034) 5.855 5.089 ( -2.119 0.000 -9.669) 9.898 5.628 ( -5.806 0.000 -11.946) 13.282 5.645 ( 1.147 -0.000 3.004) 3.216 5.650 ( -2.139 0.000 -6.395) 6.743 5.794 ( -2.138 0.000 0.387) 2.172 6.347 ( -3.520 0.000 3.560) 5.007 6.615 ( -2.720 0.000 1.963) 3.354 6.688 ( -2.227 0.000 -1.022) 2.450 6.869 ( -2.741 0.000 -6.900) 7.425 7.243 ( 4.591 -0.000 5.528) 7.186 7.446 ( 1.941 -0.000 2.737) 3.355 7.854 ( -3.595 0.000 -7.104) 7.961 8.157 ( -12.438 0.000 21.124) 24.514 8.706 ( -8.865 0.000 9.167) 12.752 9.160 ( 18.483 -0.000 1.003) 18.510 10.059 ( 0.310 -0.000 -3.872) 3.885 10.616 ( -3.456 0.000 -8.961) 9.604 19.078 ( -1.843 0.000 -0.729) 1.982 19.227 ( -0.319 0.000 -0.048) 0.323 19.287 ( 0.527 -0.000 2.460) 2.516 19.413 ( 0.640 -0.000 -1.849) 1.957 21.458 ( 3.130 -0.000 1.396) 3.427 21.483 ( 2.262 -0.000 -0.416) 2.300 21.718 ( 4.591 -0.000 0.796) 4.659 21.908 ( 6.120 -0.000 -0.709) 6.161 24.410 ( 1.171 -0.000 0.721) 1.375 24.462 ( 0.917 -0.000 0.640) 1.119 24.471 ( -1.155 0.000 -1.063) 1.569 24.513 ( 0.077 -0.000 2.341) 2.342 32.552 ( -0.593 0.000 -1.572) 1.680 32.577 ( -1.536 0.000 0.339) 1.573 32.641 ( -1.282 0.000 -1.772) 2.187 32.808 ( 1.420 -0.000 -0.133) 1.427 41.342 ( 6.249 -0.000 -8.051) 10.191 41.565 ( 7.453 -0.000 2.733) 7.938 41.760 ( -1.929 0.000 -26.816) 26.886 41.986 ( 3.174 -0.000 3.501) 4.726 45.288 ( 4.820 -0.000 -2.733) 5.541 45.340 ( 9.971 -0.000 5.077) 11.189 46.592 ( -22.116 0.000 4.276) 22.525 48.154 ( -20.421 0.000 -10.418) 22.925 ======================= Grid point 123 (56/150) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -21.960 -3.862 -4.867) 22.822 1.363 ( -20.864 6.770 -3.148) 22.160 2.005 ( -16.798 6.588 0.499) 18.051 2.180 ( 0.523 2.233 4.731) 5.257 2.366 ( -7.718 4.771 -2.791) 9.493 2.617 ( -22.401 -20.555 -2.694) 30.522 2.930 ( -8.069 -6.721 0.579) 10.517 3.339 ( 4.423 0.959 3.797) 5.908 3.389 ( -5.164 4.103 7.084) 9.679 3.511 ( -4.197 1.674 1.571) 4.784 3.687 ( -4.611 -4.012 0.753) 6.158 3.876 ( -0.181 -7.825 1.052) 7.898 3.943 ( 0.955 7.338 -6.933) 10.140 4.089 ( -2.678 -1.203 -0.435) 2.968 4.201 ( -0.275 -8.887 0.650) 8.915 4.219 ( -11.838 -5.740 3.534) 13.622 4.510 ( 2.335 1.653 9.239) 9.672 4.692 ( 3.031 0.650 0.801) 3.202 4.758 ( -3.828 -1.665 0.535) 4.208 4.991 ( -3.409 3.329 -6.963) 8.437 5.496 ( -3.132 -0.388 -8.361) 8.936 5.563 ( 0.645 2.680 -2.266) 3.568 5.704 ( -1.456 -3.185 -0.180) 3.507 5.781 ( 0.384 -1.420 -1.647) 2.208 6.315 ( -5.047 -1.478 3.426) 6.277 6.576 ( -1.735 2.061 3.429) 4.361 6.689 ( -0.944 -3.680 -1.279) 4.009 6.817 ( -0.977 -1.580 -4.712) 5.065 7.303 ( 4.669 5.562 5.613) 9.178 7.471 ( -2.100 -0.346 2.021) 2.935 7.789 ( -2.220 -1.841 -4.995) 5.767 8.138 ( -7.445 -3.536 24.688) 26.028 8.628 ( -7.657 0.432 8.433) 11.399 9.356 ( 16.157 10.013 -2.653) 19.192 10.044 ( 0.971 0.515 -3.846) 4.000 10.489 ( -4.804 -0.210 -13.209) 14.057 19.053 ( -0.845 -0.058 -0.769) 1.144 19.229 ( -0.445 -1.100 -0.325) 1.230 19.306 ( 0.103 -0.102 2.449) 2.453 19.405 ( 0.599 1.316 -0.915) 1.711 21.473 ( 3.678 4.277 1.179) 5.763 21.535 ( 2.887 -0.386 0.149) 2.916 21.794 ( 2.687 -1.590 0.519) 3.165 22.002 ( 4.637 -1.391 -0.441) 4.861 24.426 ( 0.464 0.508 0.808) 1.061 24.450 ( -0.612 -0.005 -0.959) 1.138 24.480 ( 1.092 0.331 0.862) 1.430 24.530 ( 0.184 0.068 3.466) 3.472 32.533 ( -0.606 -0.054 -1.424) 1.548 32.563 ( -0.947 -0.597 0.672) 1.306 32.622 ( -1.450 -1.324 -1.822) 2.678 32.817 ( 0.495 0.298 -0.937) 1.101 41.158 ( -5.621 13.606 -40.393) 42.992 41.605 ( -0.161 2.371 -0.044) 2.377 41.723 ( 5.928 -4.125 -4.790) 8.667 42.050 ( 1.951 -0.680 5.066) 5.471 45.344 ( 5.275 -2.322 -2.891) 6.448 45.640 ( 8.681 -14.681 3.727) 17.458 46.265 ( -19.997 3.110 2.746) 20.423 47.870 ( -10.321 -9.542 -12.562) 18.852 ======================= Grid point 131 (57/150) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -22.882 0.000 -0.219) 22.883 1.070 ( -29.260 0.000 -3.878) 29.516 1.491 ( -43.575 0.000 6.906) 44.119 2.228 ( -6.984 0.000 0.370) 6.994 2.240 ( -2.658 0.000 -5.753) 6.337 2.364 ( 3.524 -0.000 5.200) 6.282 2.643 ( -13.447 0.000 -2.609) 13.697 3.354 ( -7.220 0.000 4.316) 8.411 3.435 ( -2.931 0.000 8.533) 9.023 3.500 ( -1.607 0.000 -3.030) 3.430 3.683 ( 4.810 -0.000 4.289) 6.445 3.819 ( 0.067 -0.000 2.588) 2.589 3.944 ( -7.360 0.000 -3.386) 8.102 3.989 ( -9.035 0.000 -1.548) 9.166 4.047 ( -1.420 0.000 -0.489) 1.502 4.134 ( 1.580 -0.000 0.838) 1.789 4.578 ( 0.130 -0.000 5.101) 5.102 4.691 ( -3.361 0.000 0.961) 3.496 4.752 ( 3.777 -0.000 -1.101) 3.934 4.949 ( -1.894 0.000 -6.562) 6.830 5.415 ( -3.459 0.000 -3.412) 4.858 5.530 ( 1.401 -0.000 -7.203) 7.338 5.666 ( -1.095 0.000 -4.243) 4.382 5.829 ( 4.873 -0.000 5.769) 7.552 6.263 ( -4.272 0.000 4.000) 5.853 6.588 ( -1.229 0.000 4.918) 5.069 6.651 ( 0.192 -0.000 -1.879) 1.889 6.780 ( 0.946 -0.000 -3.990) 4.100 7.426 ( -4.471 0.000 2.038) 4.914 7.468 ( 6.854 -0.000 4.122) 7.997 7.746 ( 0.580 -0.000 -2.009) 2.091 8.179 ( -1.595 0.000 35.554) 35.590 8.570 ( -6.057 0.000 6.555) 8.925 9.596 ( 7.890 -0.000 -13.698) 15.808 10.050 ( 1.667 -0.000 -3.555) 3.926 10.283 ( -8.790 0.000 -19.860) 21.718 19.038 ( -0.485 0.000 -0.329) 0.586 19.213 ( -0.192 0.000 -0.830) 0.852 19.316 ( -0.431 0.000 2.205) 2.247 19.421 ( 0.731 -0.000 -0.223) 0.764 21.558 ( 2.407 -0.000 0.185) 2.414 21.572 ( 2.855 -0.000 1.142) 3.075 21.824 ( 1.934 -0.000 0.218) 1.946 22.057 ( 3.785 -0.000 -0.465) 3.813 24.430 ( -0.688 0.000 -0.271) 0.740 24.450 ( 0.758 -0.000 0.218) 0.789 24.503 ( 1.107 -0.000 -0.204) 1.125 24.576 ( 2.035 -0.000 7.364) 7.640 32.514 ( -0.700 0.000 -0.617) 0.933 32.549 ( -0.597 0.000 0.531) 0.799 32.586 ( -1.081 0.000 -1.022) 1.487 32.818 ( 0.122 -0.000 -1.163) 1.169 40.799 ( -19.676 0.000 -66.730) 69.571 41.628 ( 0.369 -0.000 2.141) 2.172 41.761 ( 5.244 -0.000 -3.083) 6.083 42.091 ( -0.295 0.000 7.386) 7.392 45.403 ( 3.984 -0.000 -1.653) 4.314 45.651 ( 6.753 -0.000 4.102) 7.902 46.011 ( -16.846 0.000 0.635) 16.858 47.458 ( -17.283 0.000 -24.195) 29.734 ======================= Grid point 132 (58/150) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 12.791 -0.000 17.920) 22.017 0.895 ( -3.090 0.000 22.295) 22.508 1.307 ( 3.598 -0.000 18.336) 18.685 2.042 ( 3.785 -0.000 -5.823) 6.945 2.272 ( -2.412 0.000 10.427) 10.702 2.459 ( 0.721 -0.000 -1.603) 1.757 2.560 ( 10.233 -0.000 -2.676) 10.577 3.139 ( -11.505 0.000 -5.585) 12.789 3.144 ( -8.419 0.000 -3.665) 9.182 3.372 ( -3.327 0.000 -2.549) 4.192 3.587 ( -1.800 0.000 0.688) 1.927 3.614 ( 2.593 -0.000 -7.284) 7.732 3.859 ( 5.783 -0.000 0.539) 5.808 3.890 ( -3.470 0.000 3.876) 5.202 4.091 ( -6.445 0.000 -6.133) 8.897 4.201 ( -4.639 0.000 -4.277) 6.310 4.576 ( -4.158 0.000 0.673) 4.212 4.666 ( -3.352 0.000 1.921) 3.863 4.776 ( 0.904 -0.000 -1.733) 1.954 4.983 ( 16.716 -0.000 -7.484) 18.315 5.314 ( 7.695 -0.000 1.016) 7.762 5.489 ( 2.805 -0.000 -4.923) 5.666 5.732 ( 9.354 -0.000 4.740) 10.486 5.899 ( -21.726 0.000 0.960) 21.747 6.274 ( 2.215 -0.000 5.141) 5.598 6.550 ( 1.389 -0.000 -4.498) 4.708 6.745 ( -9.814 0.000 3.995) 10.596 6.812 ( 4.668 -0.000 -0.605) 4.707 7.240 ( -19.805 0.000 10.046) 22.208 7.398 ( 0.430 -0.000 3.606) 3.632 7.660 ( -3.125 0.000 1.694) 3.554 7.912 ( 3.545 -0.000 3.447) 4.944 8.531 ( -8.750 0.000 6.264) 10.761 9.581 ( 17.652 -0.000 -10.138) 20.356 10.005 ( 3.480 -0.000 -4.288) 5.522 10.017 ( -2.206 0.000 -7.594) 7.908 19.058 ( 0.298 -0.000 0.653) 0.718 19.169 ( -0.137 0.000 -1.825) 1.830 19.338 ( -1.390 0.000 1.568) 2.095 19.430 ( 0.363 -0.000 -0.363) 0.513 21.591 ( 0.992 -0.000 0.672) 1.199 21.622 ( -1.426 0.000 0.221) 1.443 21.892 ( 0.786 -0.000 2.120) 2.261 22.081 ( -0.006 0.000 -1.710) 1.710 24.415 ( 0.170 -0.000 -0.105) 0.200 24.453 ( -3.488 0.000 -0.947) 3.614 24.480 ( 0.253 -0.000 0.821) 0.859 24.526 ( -1.964 0.000 -0.024) 1.964 32.535 ( -0.319 0.000 0.424) 0.530 32.611 ( 1.017 -0.000 1.578) 1.877 32.644 ( 0.928 -0.000 -0.649) 1.132 32.766 ( -0.063 0.000 -2.522) 2.522 41.503 ( -3.686 0.000 -4.653) 5.936 41.674 ( 2.782 -0.000 -8.283) 8.738 42.217 ( -11.854 0.000 8.457) 14.561 42.787 ( 93.754 -0.000 -3.367) 93.814 45.414 ( 2.240 -0.000 -1.672) 2.795 45.558 ( -7.359 0.000 -4.629) 8.694 45.895 ( 2.296 -0.000 3.005) 3.782 45.931 ( -14.646 0.000 2.137) 14.801 ======================= Grid point 133 (59/150) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 7.539 -9.289 18.207) 21.785 1.349 ( 16.618 -17.946 13.858) 28.111 1.652 ( 16.896 -17.559 6.425) 25.201 2.168 ( 2.597 -4.044 0.668) 4.852 2.253 ( -0.164 -7.537 -3.473) 8.301 2.592 ( 5.640 -3.841 8.525) 10.920 2.757 ( 7.843 -8.665 4.399) 12.488 2.834 ( -4.919 7.725 -7.574) 11.884 3.095 ( -6.224 -7.668 -9.218) 13.510 3.261 ( -2.332 3.171 -2.424) 4.623 3.570 ( 6.463 6.134 3.331) 9.513 3.716 ( 5.387 2.575 -5.041) 7.814 3.880 ( 1.354 -5.042 0.252) 5.227 3.986 ( 0.865 -3.316 0.045) 3.427 4.046 ( -0.073 -9.826 -3.350) 10.381 4.151 ( -4.332 -7.990 -2.764) 9.499 4.507 ( -3.923 -0.923 -1.372) 4.258 4.620 ( -3.224 0.331 0.290) 3.254 4.762 ( -0.795 1.003 -1.276) 1.807 5.129 ( 14.918 7.685 -8.017) 18.598 5.402 ( -1.813 5.705 -0.314) 5.994 5.520 ( 6.061 -1.403 -3.094) 6.948 5.542 ( -11.015 0.268 6.991) 13.049 5.948 ( 4.537 -5.047 4.067) 7.911 6.313 ( 1.905 0.394 2.953) 3.536 6.573 ( 2.393 -2.603 -3.828) 5.211 6.665 ( -2.936 -0.179 3.698) 4.725 6.921 ( 4.136 -3.870 -1.392) 5.833 7.150 ( -5.277 0.340 12.578) 13.644 7.467 ( 2.219 -2.043 5.336) 6.130 7.633 ( -1.115 -0.823 2.843) 3.163 8.003 ( 1.916 -3.327 -0.082) 3.840 8.454 ( -7.400 -2.147 6.206) 9.894 9.660 ( -3.363 2.261 -7.984) 8.954 9.958 ( 5.273 1.576 -10.041) 11.450 10.070 ( 5.866 -5.079 -7.235) 10.609 19.075 ( 0.495 -1.046 0.947) 1.495 19.166 ( -0.247 -1.290 -2.167) 2.534 19.327 ( -1.207 0.032 1.571) 1.981 19.434 ( 1.131 1.023 -0.170) 1.535 21.563 ( -3.744 2.704 -0.099) 4.619 21.608 ( -0.322 -0.152 0.989) 1.051 21.875 ( -0.732 3.683 2.189) 4.346 22.047 ( -0.755 1.985 -1.915) 2.860 24.407 ( -1.367 0.470 0.632) 1.577 24.418 ( 0.035 -0.082 -0.092) 0.128 24.492 ( 0.347 -0.173 1.043) 1.113 24.511 ( -0.524 -0.077 -0.289) 0.603 32.539 ( 0.141 -0.340 0.689) 0.781 32.634 ( -0.466 0.165 0.799) 0.940 32.643 ( 1.112 -0.385 0.585) 1.314 32.755 ( 0.690 0.135 -2.928) 3.012 41.402 ( -5.091 0.686 -4.335) 6.722 41.660 ( -0.042 -0.032 -8.232) 8.232 42.008 ( -12.997 5.194 2.351) 14.193 43.042 ( 22.707 57.812 0.505) 62.113 45.497 ( -0.882 -4.055 -2.230) 4.711 45.700 ( 6.853 -14.167 -2.249) 15.897 45.923 ( 2.517 0.957 3.481) 4.401 46.416 ( 18.430 -52.334 -19.686) 58.873 ======================= Grid point 134 (60/150) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 7.251 -11.478 13.093) 18.862 1.699 ( 5.777 -5.073 11.653) 13.960 2.081 ( -0.460 -2.648 4.567) 5.299 2.182 ( 4.680 -6.829 0.760) 8.314 2.278 ( -3.567 4.656 -6.537) 8.783 2.729 ( 4.617 -10.007 3.256) 11.492 2.859 ( -0.837 -4.922 2.153) 5.437 3.057 ( 1.932 -7.804 -1.013) 8.104 3.077 ( 10.252 -8.352 -10.088) 16.632 3.323 ( 8.126 -10.026 -5.140) 13.892 3.664 ( 9.326 -1.052 3.622) 10.060 3.715 ( 2.581 -2.662 -2.715) 4.595 3.930 ( 0.157 -0.770 -4.400) 4.470 4.080 ( 2.864 -3.091 3.595) 5.539 4.187 ( -6.015 -9.269 1.701) 11.179 4.218 ( 7.209 -4.770 2.083) 8.892 4.551 ( -2.863 -9.601 1.271) 10.099 4.576 ( 2.655 -1.715 -4.636) 5.611 4.714 ( -0.267 5.042 0.506) 5.074 5.103 ( -0.774 7.219 -2.772) 7.771 5.289 ( -0.210 1.425 -3.001) 3.329 5.486 ( 2.932 2.716 -2.244) 4.584 5.696 ( 6.868 -4.755 1.427) 8.474 6.027 ( 1.202 1.025 2.385) 2.861 6.366 ( 2.921 -0.330 0.307) 2.955 6.643 ( 3.361 -4.092 -3.295) 6.237 6.687 ( 0.031 -2.804 5.481) 6.157 6.986 ( 2.818 0.915 -1.222) 3.205 7.136 ( -3.671 1.769 10.289) 11.067 7.503 ( -0.928 1.067 2.794) 3.131 7.722 ( -0.386 -8.975 3.696) 9.714 8.066 ( 6.339 0.148 -0.948) 6.411 8.435 ( -6.094 -4.067 8.028) 10.868 9.432 ( -13.567 5.239 -0.733) 14.562 9.976 ( 4.989 1.715 -6.787) 8.596 10.202 ( 7.756 -5.640 -13.299) 16.396 19.091 ( -0.719 -0.428 -0.140) 0.848 19.183 ( 0.901 -2.488 -0.963) 2.816 19.316 ( -0.953 0.466 1.616) 1.934 19.435 ( 1.110 1.564 0.446) 1.969 21.439 ( -5.350 4.497 -0.417) 7.001 21.590 ( -2.056 1.609 1.279) 2.907 21.827 ( -0.116 2.805 0.735) 2.903 22.012 ( 0.505 1.416 -1.172) 1.906 24.400 ( 0.330 0.163 0.512) 0.630 24.418 ( -0.286 -0.285 -0.124) 0.422 24.494 ( -0.491 0.313 0.002) 0.582 24.514 ( 0.611 -0.235 0.920) 1.129 32.550 ( 0.397 0.042 0.812) 0.905 32.618 ( -1.108 0.129 0.579) 1.257 32.686 ( 1.779 -1.385 0.531) 2.316 32.745 ( 0.281 0.247 -3.218) 3.240 41.280 ( -6.890 1.826 -4.782) 8.583 41.552 ( -6.919 0.880 -6.666) 9.648 41.814 ( -3.431 3.177 -3.862) 6.065 42.615 ( 6.540 38.349 7.796) 39.676 45.497 ( -0.036 -0.582 -3.766) 3.811 45.939 ( -9.178 -12.584 3.925) 16.062 46.019 ( 14.442 -3.311 2.794) 15.078 47.141 ( 17.505 -32.992 -24.644) 44.746 ======================= Grid point 135 (61/150) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 1.385 -7.133 7.816) 10.672 1.830 ( 0.619 3.892 10.697) 11.400 1.996 ( -8.066 3.193 6.351) 10.751 2.034 ( -2.253 4.561 -7.612) 9.155 2.418 ( 6.247 -3.553 -2.680) 7.670 2.763 ( -3.939 2.168 4.056) 6.055 2.996 ( 0.625 -14.033 -6.267) 15.381 3.103 ( 3.313 -3.521 2.779) 5.577 3.337 ( 7.458 -5.480 -6.682) 11.415 3.579 ( 6.045 -11.612 -1.860) 13.222 3.784 ( -1.948 -4.728 -6.555) 8.314 3.803 ( 2.272 -3.838 -0.499) 4.488 4.048 ( 16.288 -1.594 -0.043) 16.366 4.129 ( -1.192 -1.691 4.949) 5.364 4.262 ( -2.065 -6.547 3.455) 7.686 4.343 ( 2.892 -1.127 3.137) 4.413 4.569 ( -2.582 -4.044 -1.369) 4.990 4.627 ( 4.372 11.215 3.565) 12.554 4.750 ( 1.756 -10.275 -0.929) 10.465 4.979 ( -5.840 0.127 -3.872) 7.007 5.277 ( 2.183 0.215 -2.473) 3.305 5.511 ( 6.612 2.911 -2.490) 7.642 5.834 ( 3.987 -2.143 -0.002) 4.527 6.015 ( 0.684 3.945 0.697) 4.064 6.407 ( 1.451 -1.425 0.926) 2.235 6.713 ( 0.620 -1.960 0.841) 2.221 6.780 ( 1.675 -4.146 2.266) 5.013 6.973 ( 0.748 4.138 -1.460) 4.452 7.108 ( -1.735 2.570 7.670) 8.273 7.476 ( -2.453 -0.113 0.133) 2.459 7.804 ( -3.877 -7.530 -2.193) 8.749 8.238 ( 13.704 -2.613 3.328) 14.342 8.452 ( -5.556 -4.005 10.308) 12.376 9.169 ( -13.572 4.830 6.662) 15.871 9.985 ( 2.890 1.236 -5.217) 6.091 10.283 ( 5.808 -2.965 -15.498) 16.814 19.069 ( -1.088 0.399 -1.511) 1.904 19.238 ( 1.386 -2.882 0.564) 3.247 19.306 ( -0.609 0.531 1.629) 1.818 19.427 ( 0.374 2.043 1.033) 2.319 21.317 ( -3.210 2.886 0.170) 4.320 21.528 ( -2.181 2.601 0.245) 3.403 21.816 ( 0.685 0.330 -0.021) 0.761 22.008 ( 0.929 0.630 -0.435) 1.204 24.409 ( 0.343 0.011 0.474) 0.585 24.419 ( 0.110 -0.583 -0.176) 0.619 24.479 ( -0.639 0.340 -0.391) 0.822 24.533 ( 0.739 -0.018 1.397) 1.581 32.556 ( 0.385 0.607 0.667) 0.981 32.608 ( -0.647 -0.019 0.891) 1.101 32.716 ( -0.390 0.585 -3.528) 3.598 32.733 ( 0.899 -1.573 -0.265) 1.831 41.077 ( -9.198 4.012 -8.833) 13.369 41.450 ( -5.254 -4.160 -3.878) 7.743 41.744 ( 1.300 2.858 -4.301) 5.325 42.347 ( 3.824 20.961 6.255) 22.206 45.479 ( 1.944 2.060 -4.522) 5.336 45.944 ( -6.016 -4.757 2.081) 7.946 46.271 ( 2.449 -9.019 6.211) 11.221 47.579 ( 16.384 -14.798 -19.049) 29.160 ======================= Grid point 136 (62/150) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -7.196 6.462 4.148) 10.524 1.704 ( -5.357 13.488 6.869) 16.056 1.913 ( 0.157 1.270 1.760) 2.176 2.045 ( 1.451 -4.622 0.841) 4.917 2.452 ( 0.955 3.599 -1.972) 4.214 2.753 ( -1.771 -5.431 3.452) 6.675 3.176 ( 1.827 -11.945 -4.748) 12.983 3.192 ( 2.649 -2.438 2.579) 4.429 3.412 ( -2.485 -4.536 -4.766) 7.033 3.631 ( -0.003 2.028 -5.379) 5.748 3.770 ( -5.777 0.920 -4.494) 7.376 3.917 ( 5.203 -6.313 0.200) 8.183 4.084 ( -3.486 7.475 6.093) 10.254 4.225 ( 4.638 2.885 -1.925) 5.791 4.330 ( -0.116 -6.754 1.530) 6.926 4.436 ( 5.567 0.336 3.080) 6.371 4.546 ( -4.453 -1.824 -0.927) 4.900 4.589 ( 5.087 6.703 3.703) 9.193 4.822 ( -2.817 -0.604 -0.667) 2.957 4.920 ( -2.206 -3.711 -2.326) 4.903 5.330 ( 2.938 -2.680 -0.472) 4.005 5.563 ( 6.016 2.718 -1.060) 6.686 5.854 ( -1.198 1.186 -1.754) 2.433 5.940 ( -0.179 7.970 -2.461) 8.344 6.470 ( 0.221 -3.237 4.617) 5.643 6.683 ( -6.602 2.162 4.044) 8.038 6.839 ( 1.347 0.412 -0.984) 1.718 6.897 ( 0.238 4.659 -1.992) 5.073 7.129 ( 2.269 -0.212 5.361) 5.825 7.439 ( -3.846 -2.172 -1.765) 4.757 7.803 ( -2.673 -2.896 -3.814) 5.484 8.453 ( -1.336 -3.836 0.808) 4.142 8.584 ( 12.150 -8.096 13.455) 19.855 8.991 ( -10.438 2.660 13.198) 17.036 9.969 ( 1.158 1.276 -5.739) 5.992 10.292 ( 3.961 -0.435 -16.567) 17.039 19.043 ( -0.346 0.392 -1.733) 1.810 19.287 ( 0.162 -0.445 1.030) 1.134 19.309 ( 0.573 -1.100 1.397) 1.868 19.405 ( -0.470 2.038 1.426) 2.532 21.292 ( 1.027 -1.135 1.237) 1.968 21.484 ( -0.093 0.770 -1.152) 1.389 21.823 ( 0.024 -0.352 -0.058) 0.357 22.012 ( 0.568 0.265 -0.316) 0.702 24.413 ( -0.596 -0.670 0.557) 1.056 24.434 ( 0.972 -0.254 -0.340) 1.061 24.465 ( -0.353 0.185 -0.350) 0.530 24.551 ( 0.466 -0.067 1.527) 1.598 32.553 ( 0.058 0.833 0.361) 0.910 32.608 ( -0.025 0.322 1.378) 1.415 32.668 ( -1.604 0.964 -3.167) 3.679 32.761 ( 0.519 -1.331 -1.295) 1.928 40.834 ( -9.039 4.018 -10.765) 14.620 41.438 ( -3.543 -6.466 -3.717) 8.257 41.731 ( 3.375 2.024 -1.190) 4.112 42.223 ( 2.614 10.135 3.494) 11.034 45.453 ( 2.983 3.767 -4.846) 6.825 45.915 ( -6.676 -4.013 2.003) 8.042 46.365 ( -5.459 -3.344 6.470) 9.102 47.833 ( 16.974 -0.264 -16.821) 23.898 ======================= Grid point 137 (63/150) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -8.294 15.826 10.379) 20.663 1.452 ( -8.050 14.520 5.668) 17.543 1.938 ( 5.382 2.070 -1.587) 5.981 2.147 ( 2.172 -3.808 2.378) 4.987 2.393 ( 0.279 4.821 1.760) 5.140 2.833 ( -3.773 -7.467 0.767) 8.401 3.155 ( -3.058 9.718 -1.361) 10.278 3.272 ( -9.321 -5.845 -8.842) 14.115 3.404 ( -5.834 1.025 3.569) 6.916 3.447 ( -5.153 0.624 -1.854) 5.512 3.676 ( -1.757 -2.820 -7.334) 8.051 3.962 ( -3.285 5.152 5.339) 8.114 4.017 ( 3.640 5.022 2.930) 6.860 4.174 ( 0.179 4.858 0.569) 4.895 4.349 ( 1.062 8.073 -6.434) 10.378 4.485 ( -5.839 -4.023 -0.693) 7.124 4.514 ( 1.445 -1.611 4.423) 4.925 4.652 ( 2.213 -0.999 5.737) 6.230 4.773 ( -1.601 0.348 -2.634) 3.102 4.872 ( -2.508 4.591 -2.228) 5.686 5.379 ( 2.031 1.158 -3.635) 4.322 5.616 ( 2.499 -0.227 4.463) 5.120 5.764 ( -2.698 7.255 -5.189) 9.318 5.805 ( -0.582 3.913 -3.211) 5.096 6.450 ( -8.735 2.085 4.843) 10.203 6.634 ( -0.143 -2.023 6.492) 6.802 6.755 ( -1.343 5.991 -4.173) 7.424 6.880 ( 2.137 4.236 0.897) 4.828 7.243 ( 4.513 -4.819 4.686) 8.096 7.403 ( -4.607 -3.733 -1.847) 6.211 7.767 ( -2.369 -0.376 -2.822) 3.703 8.468 ( -3.154 -2.875 3.032) 5.235 8.824 ( -6.167 -0.240 11.510) 13.061 9.054 ( 11.329 -8.312 11.119) 17.918 9.935 ( 1.098 0.589 -7.108) 7.216 10.229 ( 1.906 3.162 -17.191) 17.583 19.033 ( 0.519 0.180 -1.337) 1.445 19.274 ( -0.882 1.467 0.825) 1.900 19.346 ( 0.776 -0.397 1.100) 1.403 19.389 ( -0.257 -0.074 1.765) 1.786 21.381 ( 4.231 -4.277 1.937) 6.321 21.492 ( 1.683 -1.389 -2.260) 3.142 21.822 ( -0.817 -0.474 -0.080) 0.948 22.015 ( 0.324 -0.270 -0.699) 0.816 24.417 ( -0.790 -1.058 0.496) 1.411 24.441 ( 0.160 0.145 -0.319) 0.385 24.469 ( 0.827 -0.347 -0.383) 0.975 24.567 ( 0.029 -0.713 1.614) 1.764 32.541 ( -0.341 0.854 0.320) 0.974 32.600 ( -0.980 0.999 -0.422) 1.462 32.628 ( -0.259 0.837 0.242) 0.909 32.770 ( 0.016 -0.933 -2.114) 2.310 40.587 ( -8.255 5.433 -8.292) 12.901 41.465 ( -1.678 -6.651 -3.981) 7.931 41.767 ( 3.597 1.142 0.070) 3.775 42.184 ( 1.259 2.957 3.036) 4.421 45.420 ( 3.375 4.537 -4.394) 7.161 45.878 ( -6.311 -3.483 2.760) 7.719 46.272 ( -11.067 2.597 5.225) 12.510 47.890 ( 16.394 15.644 -21.627) 31.325 ======================= Grid point 138 (64/150) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -6.877 20.904 11.238) 24.709 1.182 ( -6.628 14.484 16.126) 22.666 1.961 ( 2.898 8.740 -1.358) 9.308 2.176 ( -0.319 3.561 -0.059) 3.576 2.374 ( -0.992 1.848 1.979) 2.884 2.560 ( -19.626 18.194 4.272) 27.100 2.893 ( -5.849 12.166 -3.252) 13.886 3.184 ( -5.192 -6.035 -0.839) 8.005 3.285 ( -3.032 -4.020 -8.701) 10.053 3.456 ( -9.311 -5.445 0.971) 10.830 3.681 ( -0.623 -4.350 -3.586) 5.672 3.872 ( -8.724 1.225 2.293) 9.104 4.013 ( 3.868 3.441 6.809) 8.553 4.126 ( -0.238 11.118 -6.792) 13.031 4.157 ( -0.839 7.713 1.727) 7.948 4.366 ( -3.304 8.783 1.428) 9.493 4.599 ( -1.678 -6.042 3.411) 7.138 4.709 ( 0.573 -0.473 0.471) 0.880 4.717 ( -6.046 -5.900 -5.831) 10.264 4.779 ( 4.499 8.824 -0.834) 9.940 5.347 ( 0.727 0.938 -4.061) 4.231 5.535 ( -1.066 11.180 -6.786) 13.122 5.684 ( -1.669 0.639 1.255) 2.184 5.830 ( 3.797 -4.497 2.438) 6.371 6.328 ( -7.524 0.450 4.623) 8.843 6.639 ( -0.208 4.610 -5.057) 6.846 6.711 ( -0.341 -1.890 7.182) 7.434 6.852 ( 3.184 6.080 1.731) 7.078 7.377 ( -4.216 -4.479 -0.457) 6.169 7.417 ( 4.555 -5.595 4.271) 8.384 7.715 ( -4.601 -1.278 -1.115) 4.904 8.444 ( -6.504 -2.010 -3.758) 7.776 8.743 ( -9.552 1.649 11.586) 15.106 9.360 ( 9.849 -2.158 2.848) 10.477 9.930 ( 3.221 -1.562 -6.537) 7.453 10.091 ( 1.577 6.928 -14.815) 16.431 19.037 ( 0.919 0.159 -0.457) 1.039 19.239 ( -0.567 2.375 -0.007) 2.442 19.352 ( -0.806 -0.262 1.639) 1.845 19.413 ( 0.679 -0.917 0.854) 1.425 21.510 ( 3.428 -3.059 0.263) 4.602 21.542 ( 2.661 -3.145 -0.702) 4.179 21.817 ( -0.866 -1.203 0.022) 1.483 22.027 ( 0.814 -1.462 -1.379) 2.168 24.418 ( -0.543 -0.475 -0.161) 0.739 24.445 ( -0.095 -0.847 0.550) 1.015 24.483 ( 0.881 -0.260 -0.898) 1.285 24.587 ( -1.018 -2.088 0.913) 2.496 32.533 ( 0.228 0.091 1.301) 1.324 32.568 ( -1.002 0.681 -0.457) 1.294 32.624 ( 0.642 1.569 1.802) 2.475 32.769 ( 0.038 -0.951 -2.306) 2.495 40.435 ( 3.709 5.347 8.007) 10.318 41.514 ( -0.510 -6.103 -3.697) 7.153 41.777 ( 1.908 3.010 -3.399) 4.925 42.217 ( -0.666 -2.846 6.698) 7.309 45.393 ( 3.532 4.191 -3.204) 6.349 45.853 ( -5.203 -3.351 3.720) 7.221 46.051 ( -12.332 6.293 2.520) 14.072 47.614 ( 9.491 37.297 -32.824) 50.582 ======================= Grid point 139 (65/150) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -6.065 20.128 13.714) 25.100 1.028 ( -1.994 18.238 20.406) 27.441 1.501 ( -23.420 26.046 14.431) 37.883 2.097 ( -0.215 3.975 -4.810) 6.244 2.273 ( 1.620 7.631 7.262) 10.658 2.430 ( 0.216 -2.819 -1.801) 3.352 2.600 ( -3.327 12.096 -1.762) 12.668 3.190 ( -6.429 -8.224 -6.908) 12.517 3.288 ( -0.911 -2.588 -5.016) 5.718 3.393 ( -7.388 -5.786 0.875) 9.424 3.674 ( -13.844 -2.244 1.111) 14.068 3.706 ( -1.076 -0.294 -6.221) 6.320 3.869 ( -2.113 9.614 -7.020) 12.090 4.008 ( -3.197 8.867 5.336) 10.832 4.153 ( 2.322 1.219 2.051) 3.329 4.270 ( -0.041 3.543 1.119) 3.715 4.625 ( -2.867 0.360 2.261) 3.669 4.690 ( -2.473 -1.128 1.344) 3.032 4.754 ( 1.190 -7.361 -3.144) 8.092 4.769 ( 8.307 2.580 -3.738) 9.468 5.307 ( 1.025 6.399 -3.903) 7.565 5.436 ( 2.154 -3.213 -4.043) 5.595 5.649 ( 4.168 5.855 0.276) 7.192 5.984 ( -0.442 -9.056 3.467) 9.707 6.256 ( -4.820 0.223 4.536) 6.623 6.573 ( 0.933 2.137 -5.261) 5.754 6.745 ( -1.118 -1.245 4.117) 4.444 6.847 ( 3.047 5.588 3.675) 7.350 7.367 ( -4.672 -4.343 1.370) 6.524 7.550 ( 0.903 1.417 -0.564) 1.772 7.655 ( -13.391 -12.506 2.488) 18.491 8.141 ( -17.721 14.872 -11.139) 25.677 8.636 ( -9.425 1.102 8.847) 12.974 9.425 ( 12.318 8.825 -3.375) 15.524 9.993 ( 3.806 1.405 -5.287) 6.664 10.018 ( 4.000 -1.618 -6.480) 7.786 19.049 ( 0.782 0.105 0.458) 0.912 19.198 ( -0.301 2.243 -1.357) 2.639 19.350 ( -1.205 -0.088 1.699) 2.085 19.428 ( -0.217 -0.603 -0.267) 0.694 21.563 ( 1.701 -1.163 -0.666) 2.165 21.615 ( 0.991 -1.546 0.978) 2.081 21.842 ( 0.707 -2.562 1.426) 3.016 22.062 ( 1.333 -2.133 -1.687) 3.029 24.415 ( -0.093 -0.064 -0.226) 0.253 24.461 ( -0.370 -1.450 0.466) 1.568 24.489 ( 0.277 0.082 -1.215) 1.249 24.579 ( -4.092 -1.694 -1.206) 4.590 32.544 ( -0.590 0.518 0.116) 0.794 32.574 ( 1.683 -1.561 1.726) 2.872 32.626 ( 1.429 1.432 1.305) 2.408 32.773 ( 0.155 -0.965 -2.203) 2.410 41.002 ( 59.315 -16.431 35.075) 70.842 41.561 ( -1.057 -5.772 -2.373) 6.330 41.723 ( 2.097 3.781 -6.649) 7.931 42.274 ( -4.807 -3.373 9.834) 11.454 45.388 ( 2.902 1.432 -2.142) 3.881 45.794 ( -12.403 2.599 -0.627) 12.688 45.861 ( 1.067 2.327 3.381) 4.240 46.781 ( -12.821 56.861 -31.060) 66.047 ======================= Grid point 141 (66/150) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 17.164 -0.000 11.603) 20.718 1.563 ( 22.781 -0.000 7.241) 23.904 1.893 ( 24.635 -0.000 4.868) 25.111 2.137 ( -5.482 0.000 8.051) 9.740 2.281 ( 9.832 -0.000 -5.827) 11.429 2.739 ( 9.345 -0.000 5.888) 11.045 2.743 ( -0.588 0.000 7.339) 7.362 2.869 ( -1.362 0.000 -5.925) 6.079 2.941 ( 10.302 -0.000 -14.436) 17.734 3.232 ( 0.933 -0.000 -1.010) 1.375 3.710 ( -3.603 0.000 -11.829) 12.366 3.762 ( -5.093 0.000 -7.622) 9.167 3.836 ( 1.896 -0.000 3.266) 3.776 3.891 ( 10.713 -0.000 7.982) 13.360 4.046 ( 0.274 -0.000 0.930) 0.970 4.174 ( 11.603 -0.000 4.323) 12.382 4.446 ( -3.127 0.000 0.966) 3.273 4.581 ( -1.742 0.000 -0.889) 1.956 4.720 ( -3.258 0.000 -1.452) 3.567 5.285 ( -13.225 0.000 3.570) 13.699 5.323 ( 7.919 -0.000 -8.692) 11.758 5.565 ( 6.879 -0.000 -5.847) 9.028 5.568 ( 7.215 -0.000 -0.611) 7.241 6.057 ( 6.455 -0.000 8.432) 10.619 6.336 ( 1.226 -0.000 0.414) 1.293 6.584 ( 3.640 -0.000 -2.262) 4.285 6.663 ( -0.893 0.000 2.038) 2.225 6.972 ( 4.989 -0.000 1.719) 5.277 7.164 ( -2.674 0.000 10.934) 11.256 7.520 ( 0.474 -0.000 6.104) 6.122 7.602 ( -2.429 0.000 1.851) 3.053 8.062 ( 7.874 -0.000 1.412) 8.000 8.378 ( -4.859 0.000 5.146) 7.078 9.511 ( -12.507 0.000 -4.503) 13.293 10.053 ( 1.911 -0.000 -2.505) 3.150 10.065 ( 13.321 -0.000 -16.577) 21.266 19.088 ( 1.207 -0.000 1.399) 1.848 19.143 ( -0.119 0.000 -2.230) 2.233 19.323 ( -0.762 0.000 1.946) 2.090 19.455 ( 1.066 -0.000 -0.515) 1.184 21.524 ( -4.327 0.000 -0.665) 4.377 21.597 ( -1.394 0.000 1.449) 2.011 21.879 ( -3.300 0.000 2.334) 4.042 22.017 ( -2.775 0.000 -1.923) 3.376 24.402 ( 0.043 -0.000 0.546) 0.548 24.413 ( -0.512 0.000 -0.032) 0.513 24.501 ( -0.601 0.000 -0.405) 0.724 24.510 ( 0.993 -0.000 1.603) 1.886 32.551 ( 0.904 -0.000 1.108) 1.430 32.627 ( -0.788 0.000 0.018) 0.788 32.659 ( 0.945 -0.000 0.966) 1.351 32.748 ( 0.332 -0.000 -3.418) 3.434 41.301 ( -5.610 0.000 -3.589) 6.660 41.563 ( -8.675 0.000 -8.592) 12.210 41.868 ( -6.746 0.000 -2.832) 7.316 43.446 ( -13.605 0.000 -7.123) 15.357 45.331 ( -6.186 0.000 -4.172) 7.461 45.530 ( -1.871 0.000 2.316) 2.977 46.119 ( 11.694 -0.000 3.383) 12.174 46.628 ( 47.074 -0.000 -13.645) 49.012 ======================= Grid point 142 (67/150) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 15.211 4.234 6.922) 17.240 1.833 ( 8.062 -0.132 2.143) 8.343 2.110 ( -4.870 2.508 10.116) 11.504 2.233 ( 7.508 4.663 0.082) 8.839 2.369 ( 13.568 -4.524 -4.070) 14.871 2.716 ( 2.214 6.197 0.864) 6.637 2.887 ( 6.297 2.666 2.424) 7.255 3.018 ( 4.749 -4.160 1.677) 6.532 3.117 ( 18.150 -10.783 -8.193) 22.646 3.361 ( 11.107 -4.170 -3.378) 12.335 3.572 ( -5.057 -5.798 -10.541) 13.050 3.677 ( -2.522 -3.426 -4.659) 6.309 3.924 ( 1.141 -8.783 5.902) 10.643 4.079 ( 5.952 0.156 2.582) 6.490 4.171 ( 7.697 -3.022 4.539) 9.432 4.338 ( 5.279 0.788 5.028) 7.333 4.431 ( -2.070 -3.693 3.687) 5.614 4.564 ( 0.891 0.295 -1.986) 2.197 4.711 ( 0.682 -4.988 -0.658) 5.077 5.110 ( -5.322 6.388 0.339) 8.322 5.345 ( 3.876 3.067 -6.948) 8.527 5.602 ( 7.646 4.041 -3.235) 9.234 5.735 ( 7.640 -5.429 -2.515) 9.704 6.132 ( 3.627 5.326 4.617) 7.927 6.381 ( 1.844 -2.117 -2.701) 3.896 6.654 ( 4.240 -1.842 -1.093) 4.750 6.660 ( -1.582 -2.720 3.543) 4.738 7.049 ( 3.834 0.969 0.990) 4.076 7.166 ( -3.164 1.427 9.404) 10.024 7.492 ( -4.540 1.171 1.611) 4.958 7.621 ( -1.154 -4.541 0.743) 4.743 8.245 ( 14.165 0.785 4.303) 14.825 8.360 ( -3.941 -2.142 7.078) 8.380 9.283 ( -13.247 2.836 1.416) 13.621 10.040 ( 2.664 2.613 -4.136) 5.571 10.196 ( 10.325 -3.326 -15.674) 19.062 19.097 ( 0.507 1.742 -0.500) 1.882 19.160 ( 1.178 -2.847 -0.027) 3.081 19.321 ( -0.712 0.420 2.042) 2.203 19.461 ( 0.424 0.552 -0.333) 0.772 21.425 ( -4.091 4.068 -0.343) 5.779 21.580 ( -2.172 0.363 1.206) 2.511 21.820 ( -4.116 0.793 1.293) 4.386 21.976 ( -3.041 -2.277 -1.380) 4.041 24.404 ( -0.886 -0.256 0.101) 0.928 24.412 ( 0.860 -0.029 0.282) 0.906 24.487 ( -0.784 0.160 -0.438) 0.912 24.535 ( 1.022 0.060 1.740) 2.019 32.572 ( 1.267 0.440 1.296) 1.865 32.614 ( -0.398 0.502 0.349) 0.730 32.685 ( 0.733 -1.526 -0.055) 1.694 32.726 ( -0.742 0.072 -3.592) 3.668 41.181 ( -6.826 3.112 -3.817) 8.417 41.354 ( -10.479 -2.715 -9.604) 14.471 41.797 ( -0.369 1.158 -3.968) 4.149 43.006 ( -12.191 22.616 -0.213) 25.694 45.324 ( -8.053 -13.785 -5.053) 16.745 45.554 ( -7.015 -9.799 3.227) 12.476 46.323 ( 16.090 4.254 4.541) 17.251 47.279 ( 40.467 -6.647 -16.085) 44.051 ======================= Grid point 143 (68/150) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 8.916 3.454 3.930) 10.338 1.909 ( -1.225 0.009 2.309) 2.614 1.976 ( -2.092 5.493 -0.956) 5.955 2.259 ( 11.839 14.888 8.569) 20.863 2.570 ( 9.317 8.726 1.348) 12.837 2.668 ( -2.758 -7.441 -6.937) 10.540 2.937 ( 5.945 3.419 4.350) 8.121 3.135 ( 4.692 -2.003 3.944) 6.448 3.314 ( -0.300 -1.938 -12.566) 12.718 3.533 ( 7.890 -8.424 -5.043) 12.595 3.681 ( 2.899 -8.109 -0.879) 8.656 3.732 ( 2.935 -6.558 -1.758) 7.397 4.110 ( 1.929 -7.369 5.185) 9.215 4.222 ( 2.363 1.874 2.161) 3.711 4.231 ( 6.917 -2.503 -0.364) 7.365 4.370 ( -4.662 -3.578 0.301) 5.885 4.519 ( 6.498 1.846 4.735) 8.249 4.622 ( -0.019 -8.846 4.824) 10.076 4.830 ( 1.230 -5.778 -1.245) 6.037 4.960 ( 5.457 13.618 -2.120) 14.823 5.323 ( 2.960 2.398 -3.610) 5.248 5.652 ( 7.376 3.595 -2.356) 8.537 5.871 ( 4.845 -1.364 -2.510) 5.624 6.113 ( 2.258 6.131 0.996) 6.609 6.394 ( -0.186 -1.905 -1.933) 2.720 6.668 ( -4.197 -2.711 3.420) 6.055 6.782 ( 5.198 -3.620 0.095) 6.335 7.040 ( -0.354 5.101 0.579) 5.146 7.156 ( -1.149 0.997 6.526) 6.701 7.406 ( -5.896 -0.417 -0.927) 5.983 7.676 ( 0.940 -4.487 -2.358) 5.155 8.359 ( -1.269 -2.567 0.547) 2.915 8.510 ( 13.123 0.035 14.092) 19.256 9.083 ( -10.824 3.554 8.823) 14.410 10.018 ( 1.642 2.328 -4.552) 5.370 10.279 ( 8.495 -0.779 -16.091) 18.213 19.073 ( 0.578 1.837 -1.593) 2.499 19.228 ( 1.791 -2.991 1.313) 3.725 19.313 ( -0.809 0.568 1.792) 2.047 19.448 ( -0.643 1.036 0.101) 1.224 21.327 ( -1.516 3.402 0.592) 3.772 21.529 ( -2.129 2.241 0.024) 3.091 21.776 ( -3.634 -2.428 0.384) 4.387 21.964 ( -3.288 -3.621 -0.784) 4.953 24.395 ( -1.036 -0.538 0.290) 1.203 24.430 ( 1.168 -0.115 0.049) 1.174 24.470 ( -0.847 0.137 -0.402) 0.947 24.554 ( 0.626 0.237 1.545) 1.684 32.581 ( 0.621 1.273 0.412) 1.475 32.615 ( 0.535 0.218 1.537) 1.642 32.684 ( -1.754 0.282 -3.544) 3.964 32.716 ( 0.440 -1.992 -0.981) 2.263 40.971 ( -7.100 5.768 -7.518) 11.841 41.269 ( -5.129 -6.121 -5.181) 9.520 41.767 ( 0.379 0.836 -2.585) 2.743 42.602 ( -6.717 17.061 0.684) 18.348 45.348 ( -7.914 -12.306 -5.743) 15.718 45.589 ( -10.449 -12.551 3.567) 16.716 46.503 ( 14.365 9.008 5.982) 17.980 47.808 ( 34.263 -1.627 -15.519) 37.649 ======================= Grid point 144 (69/150) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -5.711 11.474 7.286) 14.743 1.956 ( 6.782 0.160 1.100) 6.872 2.019 ( 7.368 1.798 -0.421) 7.596 2.204 ( 9.278 24.665 8.818) 27.788 2.583 ( 4.363 0.413 -0.025) 4.383 2.667 ( 1.164 2.435 -3.550) 4.459 3.055 ( 1.494 -5.488 -0.051) 5.688 3.230 ( 3.413 -0.439 2.387) 4.188 3.266 ( -1.313 -4.766 -6.494) 8.162 3.610 ( -2.368 -3.246 -6.936) 8.016 3.711 ( -0.205 5.289 -1.051) 5.396 3.910 ( 4.910 -5.387 0.382) 7.299 4.101 ( -9.866 -1.291 1.162) 10.018 4.235 ( 0.987 0.267 2.375) 2.585 4.287 ( -1.161 -0.927 0.905) 1.740 4.463 ( 7.951 -3.924 0.156) 8.868 4.588 ( -0.575 2.334 2.334) 3.350 4.708 ( -1.818 -1.122 -1.912) 2.867 4.782 ( 0.650 4.315 0.979) 4.472 5.007 ( 12.694 7.285 1.478) 14.710 5.351 ( 2.802 -0.949 1.129) 3.166 5.685 ( 4.811 4.229 -3.225) 7.171 5.873 ( 0.871 3.645 -3.023) 4.815 6.033 ( -0.210 8.516 -3.140) 9.079 6.435 ( -1.344 -3.795 2.698) 4.847 6.614 ( -6.458 0.202 3.244) 7.229 6.869 ( 1.650 0.310 -0.313) 1.708 6.960 ( 0.047 4.107 1.589) 4.404 7.171 ( 0.185 -0.736 3.094) 3.186 7.328 ( -5.622 -1.717 -0.588) 5.908 7.725 ( 1.809 -1.886 -4.139) 4.895 8.372 ( -2.996 -3.741 0.541) 4.823 8.795 ( 10.401 -1.185 12.746) 16.494 8.984 ( -2.947 1.275 14.472) 14.824 9.975 ( 0.833 2.438 -6.220) 6.733 10.301 ( 7.181 2.282 -15.757) 17.466 19.056 ( 1.458 1.588 -1.636) 2.706 19.287 ( 0.082 -0.708 1.352) 1.528 19.314 ( 0.865 -1.214 1.559) 2.157 19.415 ( -1.783 1.346 0.536) 2.298 21.317 ( 2.413 -0.261 1.589) 2.901 21.481 ( -0.569 0.789 -1.650) 1.915 21.764 ( -3.904 -3.641 0.173) 5.341 21.957 ( -3.797 -4.022 -0.776) 5.586 24.391 ( -1.018 -0.833 0.486) 1.403 24.444 ( 0.287 0.101 -0.488) 0.575 24.460 ( 0.112 -0.285 0.024) 0.307 24.563 ( 0.063 0.219 1.141) 1.163 32.569 ( -0.015 1.235 -0.003) 1.235 32.625 ( -0.653 0.889 -0.529) 1.224 32.639 ( -0.347 0.207 0.081) 0.412 32.737 ( 0.138 -1.653 -1.851) 2.486 40.766 ( -4.271 7.380 -4.726) 9.749 41.275 ( -2.695 -7.202 -4.041) 8.686 41.765 ( 0.817 -0.739 -0.671) 1.290 42.355 ( -3.829 9.429 -1.034) 10.229 45.352 ( -6.754 -10.193 -5.611) 13.453 45.607 ( -10.932 -11.921 3.489) 16.547 46.554 ( 8.648 15.363 7.068) 18.994 48.176 ( 30.058 5.988 -17.541) 35.314 ======================= Grid point 145 (70/150) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -3.750 14.014 13.868) 20.070 1.914 ( 8.101 29.333 8.541) 31.607 2.096 ( 8.612 1.009 -6.068) 10.583 2.193 ( 6.272 0.082 6.337) 8.916 2.575 ( 6.853 12.564 -1.069) 14.351 2.715 ( 2.579 -5.280 -1.644) 6.102 3.027 ( -8.088 -2.939 -5.624) 10.280 3.287 ( 4.203 8.434 1.776) 9.589 3.314 ( -3.998 -3.064 2.891) 5.808 3.447 ( -6.847 12.259 -0.182) 14.043 3.584 ( -0.928 -0.266 -9.137) 9.188 3.885 ( -8.378 -0.080 0.432) 8.390 4.125 ( -2.473 -8.307 -1.712) 8.835 4.160 ( -1.244 7.153 2.520) 7.685 4.361 ( -0.654 -7.223 3.186) 7.921 4.430 ( -4.004 7.908 -8.027) 11.959 4.579 ( 2.712 2.049 2.790) 4.397 4.698 ( -0.953 3.190 0.670) 3.396 4.731 ( 1.719 4.778 0.759) 5.134 5.049 ( 7.217 11.023 1.235) 13.233 5.415 ( 2.203 0.366 1.060) 2.472 5.630 ( -2.207 2.614 -2.102) 4.015 5.849 ( 0.141 6.642 -5.345) 8.527 5.853 ( 2.017 7.641 -2.621) 8.326 6.373 ( -7.674 2.562 3.481) 8.807 6.623 ( -0.637 -4.477 5.556) 7.164 6.792 ( -1.596 6.040 -2.465) 6.716 6.973 ( 2.095 2.343 2.067) 3.762 7.237 ( 0.863 -5.554 1.728) 5.880 7.281 ( -4.974 -3.286 2.935) 6.645 7.727 ( 1.318 1.848 -4.030) 4.625 8.366 ( -4.298 -3.603 -1.638) 5.843 8.814 ( -8.002 3.528 14.815) 17.204 9.246 ( 15.081 -5.895 10.229) 19.153 9.924 ( 1.353 1.479 -7.824) 8.077 10.264 ( 6.000 5.840 -15.172) 17.329 19.058 ( 2.272 1.384 -1.190) 2.915 19.281 ( -0.725 0.689 1.135) 1.513 19.355 ( -0.111 0.009 0.302) 0.322 19.382 ( -0.953 -0.900 1.578) 2.052 21.412 ( 4.982 -3.346 2.089) 6.354 21.479 ( 1.104 -1.476 -2.612) 3.197 21.751 ( -4.266 -3.770 -0.155) 5.696 21.949 ( -3.835 -4.503 -1.276) 6.051 24.393 ( -0.848 -1.117 0.606) 1.528 24.435 ( -0.632 -0.038 -0.341) 0.719 24.475 ( 0.880 -0.348 -0.194) 0.966 24.563 ( -0.603 -0.070 0.660) 0.897 32.550 ( -0.384 0.924 0.156) 1.012 32.590 ( -0.725 0.953 -0.802) 1.441 32.651 ( 0.529 0.655 2.217) 2.372 32.745 ( 0.094 -1.106 -2.399) 2.644 40.624 ( 1.453 8.412 3.761) 9.328 41.328 ( -0.810 -7.672 -3.376) 8.421 41.794 ( 0.850 -1.461 -0.951) 1.940 42.212 ( -3.499 3.100 -1.738) 4.987 45.362 ( -3.783 -8.032 -4.597) 9.998 45.614 ( -10.166 -10.734 2.971) 15.079 46.440 ( 3.006 20.767 7.850) 22.404 48.333 ( 24.801 16.762 -25.812) 39.526 ======================= Grid point 146 (71/150) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.833 17.161 18.209) 25.035 1.675 ( 5.520 29.511 11.478) 32.142 2.128 ( 2.435 8.063 -5.147) 9.871 2.291 ( 5.375 4.045 1.426) 6.877 2.504 ( 6.593 13.186 -2.067) 14.887 2.677 ( -3.171 22.379 9.052) 24.347 2.859 ( -5.031 1.487 -6.560) 8.400 3.056 ( -5.977 -2.320 0.204) 6.415 3.274 ( -6.092 13.831 -1.012) 15.147 3.334 ( 2.636 1.462 -0.135) 3.017 3.577 ( -1.058 -5.604 -4.240) 7.106 3.722 ( -11.569 1.894 0.453) 11.732 4.077 ( -4.456 1.510 -3.435) 5.825 4.144 ( 1.205 1.885 -0.662) 2.332 4.241 ( -3.449 0.628 -5.642) 6.643 4.451 ( 0.494 0.052 0.617) 0.792 4.545 ( -5.663 1.041 -0.945) 5.835 4.582 ( 1.762 6.944 3.998) 8.204 4.750 ( 2.098 2.395 1.603) 3.565 4.980 ( 4.183 10.522 -1.121) 11.378 5.375 ( 0.964 4.367 -5.130) 6.806 5.614 ( -4.620 -3.435 5.149) 7.723 5.628 ( -1.222 9.550 -6.446) 11.587 5.903 ( 6.398 1.703 -1.223) 6.733 6.278 ( -3.814 1.605 4.713) 6.271 6.665 ( -2.026 0.801 -0.966) 2.383 6.704 ( -0.202 1.561 2.065) 2.596 6.971 ( 1.915 3.222 1.348) 3.983 7.239 ( -6.411 -4.067 2.504) 7.994 7.384 ( 0.069 -7.917 5.361) 9.561 7.676 ( 1.063 5.621 -2.322) 6.174 8.296 ( -6.741 -0.194 -5.440) 8.664 8.707 ( -9.410 4.053 13.240) 16.742 9.547 ( 10.776 -2.740 2.338) 11.362 9.909 ( 2.356 -1.673 -7.339) 7.887 10.176 ( 5.945 8.557 -13.585) 17.121 19.070 ( 2.317 1.493 -0.365) 2.781 19.257 ( -0.951 1.774 -0.008) 2.013 19.340 ( -1.064 -0.534 1.278) 1.746 19.403 ( -0.620 -1.283 0.190) 1.437 21.515 ( 2.634 -2.166 -1.447) 3.705 21.544 ( 2.884 -3.458 1.719) 4.820 21.744 ( -3.114 -4.547 -0.090) 5.512 21.957 ( -2.244 -5.580 -2.121) 6.377 24.401 ( -0.533 -1.260 0.544) 1.472 24.426 ( -0.871 -0.406 -0.032) 0.962 24.488 ( 0.607 -0.133 -0.415) 0.747 24.553 ( -1.461 -0.248 0.078) 1.484 32.552 ( 0.850 -0.174 1.289) 1.554 32.569 ( 0.116 1.219 0.216) 1.243 32.654 ( -0.220 0.849 1.913) 2.105 32.748 ( 0.515 -0.867 -2.438) 2.638 40.750 ( 19.099 -1.308 20.129) 27.779 41.403 ( -0.132 -6.769 -2.747) 7.307 41.788 ( -0.396 0.980 -5.477) 5.578 42.152 ( -4.827 -3.571 1.147) 6.113 45.410 ( 1.699 -4.941 -3.104) 6.078 45.616 ( -8.639 -9.156 1.648) 12.695 46.215 ( -0.088 21.996 8.264) 23.498 48.136 ( 14.538 34.778 -39.821) 54.832 ======================= Grid point 147 (72/150) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 7.509 20.642 17.933) 28.357 1.373 ( -7.351 28.510 13.386) 32.343 1.798 ( 0.674 30.818 5.376) 31.291 2.230 ( 4.650 12.453 -1.930) 13.432 2.399 ( -0.948 5.356 -3.115) 6.268 2.561 ( 6.404 12.116 9.820) 16.859 2.751 ( 3.907 10.245 0.445) 10.974 2.938 ( -8.335 2.359 -7.675) 11.573 3.169 ( -1.674 -10.986 -0.218) 11.115 3.318 ( -1.314 5.708 -4.778) 7.559 3.510 ( -6.878 0.517 5.701) 8.948 3.651 ( 1.669 -3.820 -6.305) 7.559 3.921 ( -0.231 5.890 -6.558) 8.818 4.063 ( -3.502 6.047 0.597) 7.013 4.230 ( -1.126 5.923 -1.143) 6.137 4.343 ( -1.748 10.653 -2.391) 11.057 4.573 ( 2.312 -11.314 -0.638) 11.566 4.577 ( -2.728 0.062 1.984) 3.374 4.734 ( -0.276 0.382 -0.222) 0.521 4.934 ( 7.525 4.862 -3.807) 9.735 5.354 ( 1.358 -1.339 -2.113) 2.847 5.494 ( 4.226 6.686 -3.406) 8.612 5.624 ( -8.294 -5.004 6.001) 11.395 5.956 ( 3.577 2.468 -0.508) 4.375 6.262 ( 0.468 0.696 4.728) 4.802 6.607 ( 1.782 3.826 -4.369) 6.074 6.701 ( -3.920 -1.351 4.113) 5.841 6.955 ( 1.503 3.645 -2.214) 4.522 7.194 ( -9.225 -2.517 7.689) 12.271 7.464 ( -2.438 -1.548 3.958) 4.900 7.623 ( 2.981 4.497 2.041) 5.769 8.115 ( -5.413 6.744 -4.798) 9.890 8.577 ( -9.130 3.629 9.697) 13.804 9.657 ( 6.432 1.482 -6.310) 9.132 9.943 ( 0.597 -3.912 -6.905) 7.959 10.100 ( 6.589 7.221 -9.954) 13.951 19.078 ( 1.312 1.632 0.526) 2.159 19.210 ( -1.078 2.028 -1.774) 2.902 19.341 ( -1.112 0.033 1.379) 1.771 19.406 ( -0.320 -1.540 -0.085) 1.575 21.569 ( 0.150 -1.655 0.511) 1.739 21.595 ( -0.416 -1.975 0.243) 2.033 21.796 ( 0.127 -5.682 1.821) 5.968 22.007 ( 0.221 -5.478 -2.360) 5.969 24.413 ( -0.375 -1.018 0.329) 1.133 24.418 ( -1.172 -0.616 0.178) 1.336 24.491 ( 0.142 0.275 -0.052) 0.314 24.528 ( -1.493 0.164 -0.181) 1.513 32.547 ( -0.440 0.718 0.287) 0.889 32.603 ( 2.646 -0.350 1.661) 3.144 32.645 ( -0.746 0.369 0.978) 1.284 32.755 ( 0.665 -0.610 -2.424) 2.587 41.448 ( -0.827 -3.943 -3.706) 5.474 41.593 ( 38.365 -35.680 27.969) 59.391 41.716 ( -0.616 0.491 -8.821) 8.856 42.159 ( -4.317 -8.313 3.354) 9.950 45.504 ( 7.415 0.793 -1.560) 7.619 45.616 ( -2.869 -5.247 -1.015) 6.066 46.002 ( -0.669 14.410 8.089) 16.539 47.380 ( 0.828 61.592 -44.278) 75.861 ======================= Grid point 150 (73/150) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.313 -0.000 -3.862) 4.502 1.913 ( 2.741 -0.000 -3.105) 4.142 2.154 ( -0.810 0.000 17.159) 17.178 2.304 ( 0.293 -0.000 -8.929) 8.934 2.510 ( 13.590 -0.000 1.821) 13.711 2.952 ( 2.128 -0.000 12.558) 12.737 3.105 ( 10.542 -0.000 5.107) 11.714 3.194 ( 12.012 -0.000 -3.539) 12.523 3.217 ( 23.270 -0.000 -3.193) 23.488 3.326 ( -6.094 0.000 -13.121) 14.467 3.487 ( 5.282 -0.000 -5.320) 7.497 3.639 ( 4.877 -0.000 -1.255) 5.036 3.909 ( 6.792 -0.000 6.773) 9.592 4.196 ( -2.184 0.000 1.658) 2.742 4.256 ( 9.887 -0.000 -2.564) 10.214 4.331 ( -4.362 0.000 4.364) 6.170 4.473 ( 2.602 -0.000 4.218) 4.956 4.622 ( 3.009 -0.000 0.005) 3.009 4.682 ( 5.057 -0.000 2.701) 5.733 5.149 ( 4.696 -0.000 -1.421) 4.906 5.380 ( 2.479 -0.000 -4.756) 5.363 5.763 ( 6.658 -0.000 -0.029) 6.658 5.767 ( 8.208 -0.000 -4.310) 9.271 6.245 ( 2.012 -0.000 1.390) 2.446 6.356 ( 0.292 -0.000 -5.182) 5.190 6.609 ( -3.131 0.000 2.478) 3.993 6.720 ( 5.618 -0.000 0.359) 5.629 7.125 ( 3.936 -0.000 0.275) 3.946 7.155 ( -5.716 0.000 8.220) 10.012 7.403 ( -7.466 0.000 -0.096) 7.466 7.619 ( 4.256 -0.000 -1.603) 4.548 8.322 ( -2.835 0.000 3.403) 4.430 8.519 ( 14.114 -0.000 12.349) 18.754 9.136 ( -11.070 0.000 6.130) 12.654 10.061 ( 0.975 -0.000 -3.542) 3.674 10.260 ( 11.679 -0.000 -16.398) 20.132 19.121 ( 0.389 -0.000 -1.968) 2.006 19.163 ( 2.592 -0.000 1.841) 3.180 19.322 ( -1.013 0.000 2.084) 2.317 19.460 ( -0.512 0.000 -0.760) 0.917 21.403 ( -2.687 0.000 -0.003) 2.687 21.550 ( -2.431 0.000 0.946) 2.609 21.755 ( -6.138 0.000 1.891) 6.422 21.883 ( -4.599 0.000 -2.155) 5.079 24.388 ( -1.064 0.000 0.251) 1.093 24.428 ( 1.100 -0.000 0.173) 1.113 24.472 ( -0.979 0.000 -0.477) 1.089 24.558 ( 0.671 -0.000 1.719) 1.846 32.608 ( 1.659 -0.000 1.828) 2.468 32.616 ( -0.051 0.000 -0.070) 0.087 32.678 ( 0.318 -0.000 -0.840) 0.898 32.689 ( -1.625 0.000 -3.361) 3.734 41.110 ( -7.706 0.000 -13.438) 15.490 41.128 ( -4.513 0.000 0.799) 4.583 41.778 ( -0.775 0.000 -3.100) 3.196 42.896 ( -16.637 0.000 -2.905) 16.889 45.079 ( -7.602 0.000 -1.923) 7.841 45.434 ( -5.408 0.000 2.009) 5.770 46.647 ( 18.308 -0.000 6.308) 19.364 47.777 ( 39.597 -0.000 -15.785) 42.628 ======================= Grid point 151 (74/150) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -2.337 -2.519 -3.394) 4.830 1.963 ( 3.661 -4.346 -4.723) 7.389 2.098 ( 1.140 12.170 8.082) 14.654 2.415 ( 1.241 -10.570 1.493) 10.747 2.695 ( 11.487 2.823 2.907) 12.181 2.894 ( -1.424 14.089 6.766) 15.694 3.134 ( 2.114 5.369 0.799) 5.825 3.207 ( 0.857 2.190 -5.955) 6.402 3.282 ( 8.502 5.889 3.702) 10.985 3.495 ( -1.451 -3.676 -6.913) 7.963 3.647 ( 13.982 -8.252 -1.303) 16.288 3.796 ( 10.028 -2.243 1.387) 10.369 4.061 ( -3.324 -0.354 -2.437) 4.137 4.165 ( -1.858 -6.937 3.189) 7.858 4.304 ( 4.463 2.342 5.340) 7.343 4.404 ( 10.171 -0.353 -5.355) 11.500 4.521 ( -2.405 -4.961 -0.840) 5.577 4.677 ( 6.094 1.086 4.173) 7.466 4.819 ( 5.952 -0.998 2.405) 6.496 5.232 ( 11.963 5.744 0.277) 13.273 5.380 ( 2.774 2.106 -2.597) 4.345 5.792 ( 5.349 4.408 -1.316) 7.055 5.904 ( 3.872 -2.432 -1.474) 4.804 6.213 ( 0.446 5.104 -2.724) 5.803 6.337 ( -1.310 -2.487 -2.164) 3.547 6.589 ( -3.552 -1.386 1.459) 4.083 6.820 ( 4.516 -2.439 0.214) 5.137 7.075 ( -5.070 3.372 5.047) 7.909 7.168 ( 0.506 -0.114 -0.845) 0.991 7.305 ( -5.405 -0.356 0.521) 5.442 7.696 ( 6.832 -0.349 -3.411) 7.644 8.302 ( -3.348 -1.402 2.466) 4.388 8.782 ( 11.166 -0.026 14.493) 18.296 9.029 ( -8.120 1.219 11.608) 14.219 10.042 ( 1.378 1.928 -5.026) 5.557 10.341 ( 10.605 0.730 -15.246) 18.586 19.107 ( 1.374 1.914 -1.484) 2.784 19.232 ( 2.581 -2.205 1.534) 3.725 19.313 ( -1.254 0.288 1.750) 2.172 19.437 ( -1.682 0.336 -0.765) 1.878 21.358 ( -0.310 2.474 0.947) 2.667 21.516 ( -2.331 0.629 -0.079) 2.415 21.675 ( -5.856 -1.583 1.049) 6.156 21.831 ( -5.339 -4.465 -1.759) 7.179 24.376 ( -1.028 -0.297 0.413) 1.147 24.445 ( 0.812 -0.019 -0.246) 0.849 24.455 ( -0.657 -0.059 -0.119) 0.670 24.570 ( 0.056 0.200 1.253) 1.270 32.602 ( -0.454 1.050 -0.571) 1.278 32.642 ( 1.173 0.078 1.782) 2.135 32.646 ( -1.087 0.656 -2.015) 2.382 32.689 ( 0.264 -1.712 -1.551) 2.325 40.935 ( -1.918 4.876 -8.120) 9.663 41.115 ( -3.151 -4.584 -0.576) 5.592 41.748 ( -1.453 -0.416 -1.604) 2.204 42.599 ( -12.246 6.792 -3.910) 14.539 45.032 ( -7.358 -9.392 -1.461) 12.020 45.388 ( -6.181 -4.488 1.410) 7.767 46.898 ( 16.173 8.210 7.602) 19.666 48.243 ( 33.581 0.343 -16.251) 37.308 ======================= Grid point 152 (75/150) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -1.516 1.300 5.521) 5.871 2.051 ( 3.284 3.163 3.164) 5.550 2.093 ( 7.266 -4.311 -0.283) 8.454 2.518 ( -2.160 -1.372 2.037) 3.271 2.709 ( -1.338 9.817 -0.209) 9.910 2.797 ( 10.982 9.142 3.681) 14.756 3.124 ( 0.503 7.771 1.869) 8.008 3.180 ( 4.011 -3.755 -3.670) 6.608 3.360 ( 4.892 1.820 6.196) 8.101 3.473 ( -1.700 -4.085 -6.840) 8.146 3.829 ( 4.820 0.802 -3.185) 5.833 3.859 ( -10.131 -0.209 -6.025) 11.789 3.958 ( 4.201 2.943 1.474) 5.337 4.229 ( -2.223 -1.860 7.505) 8.046 4.350 ( 4.135 4.200 -0.850) 5.955 4.499 ( -3.039 -1.426 -7.813) 8.504 4.571 ( 8.958 -1.428 2.120) 9.316 4.763 ( 3.898 3.026 3.830) 6.247 4.878 ( 4.274 3.969 -0.328) 5.842 5.330 ( 9.530 7.912 0.748) 12.409 5.409 ( 5.750 1.900 3.405) 6.948 5.763 ( -0.447 5.005 -4.222) 6.564 5.925 ( 1.954 2.068 -0.694) 2.929 6.102 ( -1.629 7.180 -6.726) 9.972 6.379 ( -1.050 -3.307 3.183) 4.708 6.542 ( -4.143 -0.611 1.816) 4.564 6.884 ( 0.612 -0.338 -0.569) 0.901 6.996 ( -2.696 1.651 3.069) 4.406 7.157 ( 0.137 -0.419 -1.383) 1.451 7.250 ( -3.846 0.064 1.892) 4.287 7.780 ( 7.661 1.648 -4.135) 8.860 8.282 ( -3.870 -2.392 0.563) 4.584 8.908 ( -5.669 3.318 15.605) 16.931 9.093 ( 7.367 -5.149 13.320) 16.069 9.998 ( 1.827 3.458 -6.762) 7.811 10.387 ( 9.380 3.381 -14.129) 17.293 19.103 ( 2.472 1.913 -1.202) 3.348 19.288 ( -0.144 -0.186 1.243) 1.265 19.316 ( 0.981 -1.737 1.324) 2.394 19.393 ( -2.826 0.629 -0.501) 2.938 21.366 ( 2.906 -0.038 1.767) 3.401 21.472 ( -0.861 0.834 -1.405) 1.847 21.637 ( -5.420 -4.240 0.399) 6.893 21.807 ( -5.812 -5.778 -1.573) 8.345 24.370 ( -0.839 -0.573 0.570) 1.165 24.436 ( -0.710 0.029 -0.600) 0.930 24.467 ( 0.911 -0.224 0.222) 0.965 24.569 ( -0.504 0.300 0.606) 0.843 32.572 ( -1.075 0.682 -0.781) 1.493 32.617 ( 0.053 1.185 -0.850) 1.459 32.666 ( 0.852 0.495 2.109) 2.328 32.707 ( 0.219 -1.730 -1.921) 2.595 40.834 ( 2.011 6.862 -0.997) 7.220 41.146 ( -0.946 -5.655 -1.293) 5.878 41.740 ( -0.902 -2.011 -0.293) 2.223 42.340 ( -8.176 5.382 -5.565) 11.260 45.065 ( -5.766 -11.622 -1.221) 13.031 45.376 ( -6.391 -6.972 0.792) 9.492 46.976 ( 10.486 17.329 8.777) 22.075 48.575 ( 25.934 3.613 -18.985) 32.342 ======================= Grid point 153 (76/150) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.307 9.908 16.349) 19.119 2.126 ( 4.433 -2.825 -0.336) 5.268 2.231 ( 4.446 3.788 -0.244) 5.846 2.429 ( 2.636 10.338 8.694) 13.762 2.611 ( -5.051 -2.058 -7.638) 9.385 2.857 ( 6.258 4.074 0.682) 7.498 3.025 ( 3.975 10.604 0.755) 11.350 3.294 ( 3.693 -0.752 0.984) 3.895 3.429 ( 2.030 -1.169 -3.353) 4.091 3.509 ( 2.448 -3.208 -2.257) 4.624 3.600 ( -5.773 12.210 4.787) 14.329 3.774 ( -1.956 6.596 -5.263) 8.662 3.988 ( -2.422 -2.818 -1.958) 4.200 4.142 ( -8.310 5.894 -0.716) 10.213 4.387 ( 4.309 1.023 4.298) 6.172 4.399 ( -0.991 4.896 -7.526) 9.033 4.649 ( 0.889 3.886 2.295) 4.600 4.753 ( 0.258 4.009 0.812) 4.098 4.879 ( 5.171 5.293 0.305) 7.406 5.283 ( 0.955 10.617 -0.263) 10.663 5.497 ( 4.821 3.817 5.873) 8.503 5.617 ( -4.392 5.705 -4.518) 8.500 5.905 ( -1.720 8.951 -9.785) 13.372 5.948 ( 2.751 1.748 -0.630) 3.319 6.345 ( -3.494 3.170 4.248) 6.349 6.564 ( -1.440 -4.610 3.992) 6.266 6.843 ( -0.217 4.902 -0.481) 4.931 6.984 ( -1.071 -1.965 -1.703) 2.812 7.197 ( -3.906 0.574 3.685) 5.400 7.211 ( 1.939 -4.484 2.314) 5.405 7.830 ( 7.687 5.307 -3.054) 9.827 8.248 ( -4.637 -2.407 -2.019) 5.601 8.825 ( -9.212 4.548 16.607) 19.528 9.360 ( 5.057 -9.071 9.576) 14.127 9.945 ( 2.904 3.485 -7.988) 9.186 10.379 ( 8.031 6.404 -13.649) 17.082 19.117 ( 3.191 1.856 -0.766) 3.770 19.283 ( -0.844 0.267 1.117) 1.425 19.335 ( -2.557 0.183 -0.400) 2.595 19.363 ( -0.082 -1.613 0.800) 1.803 21.456 ( 4.009 -2.747 2.216) 5.341 21.471 ( 1.845 -1.025 -1.576) 2.634 21.617 ( -4.982 -4.810 -0.331) 6.933 21.794 ( -4.934 -6.411 -2.079) 8.353 24.372 ( -0.569 -0.813 0.714) 1.222 24.424 ( -0.462 0.008 -0.488) 0.672 24.483 ( 0.723 -0.189 0.135) 0.760 24.555 ( -0.939 0.295 0.020) 0.985 32.555 ( -0.009 0.294 0.267) 0.397 32.603 ( 0.617 1.355 -0.028) 1.489 32.675 ( -0.134 0.703 1.838) 1.973 32.721 ( 0.510 -1.314 -2.087) 2.518 40.831 ( 7.675 5.551 8.255) 12.564 41.221 ( 0.950 -6.551 -1.348) 6.756 41.761 ( -0.255 -2.390 -1.300) 2.732 42.147 ( -6.598 2.444 -6.607) 9.651 45.156 ( -1.640 -11.900 -0.512) 12.023 45.387 ( -5.319 -7.938 -0.087) 9.555 46.861 ( 4.231 24.150 10.285) 26.587 48.683 ( 15.578 10.667 -26.018) 32.147 ======================= Grid point 154 (77/150) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -0.449 11.679 19.728) 22.930 2.063 ( -1.347 20.835 4.688) 21.398 2.195 ( 1.325 2.840 0.137) 3.137 2.439 ( -1.113 2.975 2.086) 3.800 2.507 ( -4.611 -0.064 -8.125) 9.343 2.897 ( -0.494 -4.549 1.072) 4.700 3.007 ( 9.350 9.404 -0.047) 13.261 3.092 ( -3.733 22.158 2.796) 22.644 3.439 ( 1.436 10.466 1.044) 10.616 3.518 ( 4.456 3.737 -1.410) 5.984 3.538 ( 6.231 14.890 1.749) 16.235 3.623 ( -4.077 4.128 -2.751) 6.421 3.915 ( -6.478 -7.672 -6.010) 11.702 4.059 ( 1.040 -8.807 -2.738) 9.281 4.252 ( -1.617 8.874 -2.834) 9.454 4.457 ( 1.004 -0.074 3.435) 3.579 4.545 ( -3.928 7.906 0.765) 8.861 4.698 ( 0.252 3.965 -1.683) 4.315 4.877 ( 2.522 8.008 2.938) 8.895 5.129 ( -0.598 8.862 -2.575) 9.248 5.410 ( -2.502 6.518 -5.446) 8.854 5.554 ( -2.872 0.713 5.148) 5.937 5.717 ( 0.928 8.796 -6.372) 10.901 5.984 ( 2.927 -0.154 -1.789) 3.434 6.309 ( 0.388 2.660 4.986) 5.664 6.612 ( -1.304 -2.999 3.774) 4.994 6.770 ( 1.111 5.761 -2.339) 6.316 6.981 ( -0.745 -1.477 -3.411) 3.791 7.152 ( -4.977 -0.139 6.970) 8.566 7.340 ( 2.765 -5.421 3.999) 7.282 7.838 ( 7.175 9.086 -0.257) 11.581 8.175 ( -5.478 -0.604 -4.650) 7.211 8.699 ( -10.177 5.161 15.127) 18.948 9.537 ( -3.134 -8.974 4.405) 10.477 9.917 ( 4.039 1.920 -8.098) 9.251 10.319 ( 7.086 8.229 -13.661) 17.451 19.134 ( 2.536 2.277 -0.039) 3.409 19.248 ( -2.320 0.904 -0.670) 2.578 19.328 ( 0.056 -1.062 1.333) 1.706 19.369 ( -1.582 -1.090 -0.077) 1.922 21.510 ( -3.161 -2.643 0.582) 4.161 21.535 ( 2.977 -2.215 0.050) 3.711 21.645 ( -0.005 -5.590 0.586) 5.620 21.828 ( -0.089 -7.442 -2.763) 7.938 24.381 ( -0.368 -0.926 0.818) 1.289 24.417 ( 0.012 0.030 -0.397) 0.398 24.494 ( 0.408 0.001 0.221) 0.464 24.534 ( -1.138 0.301 -0.356) 1.230 32.558 ( -0.216 0.098 0.367) 0.437 32.611 ( 2.555 0.928 1.199) 2.971 32.663 ( -1.174 0.806 1.268) 1.907 32.735 ( 0.895 -0.970 -2.121) 2.498 41.075 ( 16.072 -6.856 17.641) 24.830 41.316 ( 1.385 -5.783 -1.509) 6.135 41.756 ( -0.034 0.470 -5.472) 5.492 42.014 ( -6.558 -2.207 -4.742) 8.388 45.325 ( 2.920 -11.328 0.337) 11.703 45.435 ( -0.356 -7.958 -1.337) 8.077 46.607 ( -0.467 26.854 11.584) 29.250 48.438 ( 2.468 23.523 -35.159) 42.375 ======================= Grid point 155 (78/150) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -3.184 16.944 16.102) 23.591 1.702 ( -4.890 21.321 12.888) 25.389 2.121 ( 2.721 9.295 0.477) 9.697 2.331 ( -3.958 9.124 -0.446) 9.956 2.359 ( -10.054 -3.893 -8.006) 13.430 2.804 ( 1.067 13.751 4.889) 14.633 2.968 ( 0.380 9.631 5.042) 10.877 3.048 ( 5.687 -2.489 -7.446) 9.695 3.181 ( 4.995 21.386 -0.487) 21.967 3.422 ( 6.166 14.564 -6.105) 16.953 3.533 ( 3.542 2.248 5.798) 7.157 3.646 ( 7.326 -0.935 -2.674) 7.854 3.919 ( -0.012 -3.273 -4.125) 5.266 4.102 ( 0.078 5.115 0.975) 5.208 4.265 ( 1.505 0.876 -3.023) 3.488 4.382 ( -5.257 6.022 1.000) 8.057 4.475 ( 1.529 -7.865 1.265) 8.111 4.650 ( 1.874 4.252 -1.422) 4.860 4.754 ( -2.176 10.325 -0.106) 10.552 5.047 ( 3.109 3.032 -4.472) 6.233 5.319 ( -2.056 -0.155 -1.306) 2.441 5.491 ( -4.048 -0.197 -1.863) 4.461 5.663 ( 4.835 6.075 2.375) 8.119 6.010 ( 0.976 -0.298 -0.846) 1.326 6.324 ( 2.271 1.603 3.301) 4.316 6.655 ( 1.676 0.253 2.266) 2.830 6.704 ( 0.850 4.728 -1.323) 4.983 6.966 ( 0.357 -0.446 -3.648) 3.692 7.130 ( -4.953 -0.985 9.788) 11.014 7.454 ( 1.588 -3.170 3.747) 5.158 7.804 ( 4.834 11.263 3.298) 12.692 8.070 ( -3.051 0.836 -5.021) 5.934 8.557 ( -8.997 5.056 11.593) 15.521 9.543 ( -10.559 -6.585 0.304) 12.447 9.930 ( 4.777 -0.028 -7.633) 9.005 10.247 ( 7.108 7.404 -13.267) 16.774 19.121 ( -0.403 2.148 0.401) 2.222 19.208 ( 0.013 1.509 -1.661) 2.244 19.327 ( -1.685 0.053 0.889) 1.906 19.387 ( 0.895 -2.286 0.968) 2.639 21.474 ( -5.926 -3.579 -0.325) 6.931 21.585 ( -0.617 -1.727 1.131) 2.155 21.744 ( 2.454 -5.417 0.690) 5.987 21.939 ( 3.147 -5.900 -1.878) 6.945 24.391 ( -0.210 -0.611 0.739) 0.982 24.419 ( 0.367 0.024 -0.271) 0.456 24.497 ( -0.164 0.190 0.576) 0.628 24.515 ( -0.485 0.200 -0.353) 0.632 32.550 ( -0.371 0.320 0.397) 0.631 32.637 ( -1.462 0.437 0.808) 1.727 32.657 ( 3.017 0.651 1.195) 3.310 32.747 ( 0.811 -0.597 -2.544) 2.736 41.352 ( -3.578 -3.740 -1.721) 5.454 41.567 ( 2.941 -13.373 1.271) 13.752 41.782 ( 7.597 -5.547 3.771) 10.134 42.000 ( 2.659 -13.585 1.324) 13.905 45.457 ( 0.060 -6.980 -1.918) 7.239 45.655 ( 13.670 -9.231 -0.153) 16.496 46.299 ( -3.228 24.479 11.239) 27.128 47.787 ( -4.597 39.587 -37.175) 54.500 ======================= Grid point 159 (79/150) ======================= q-point: ( 0.38 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.683 -0.000 1.730) 1.860 1.968 ( 6.276 -0.000 -6.890) 9.320 2.272 ( 1.704 -0.000 2.215) 2.794 2.335 ( -1.219 0.000 12.760) 12.818 2.842 ( -6.335 0.000 -5.918) 8.669 2.927 ( 11.730 -0.000 5.406) 12.916 3.193 ( -3.262 0.000 2.575) 4.156 3.225 ( -3.137 0.000 0.597) 3.193 3.341 ( -2.777 0.000 4.574) 5.351 3.489 ( 4.177 -0.000 -2.988) 5.135 3.771 ( -8.577 0.000 -9.382) 12.712 3.839 ( 14.627 -0.000 -3.830) 15.120 4.124 ( -0.658 0.000 4.006) 4.059 4.136 ( 10.122 -0.000 6.402) 11.977 4.428 ( 5.411 -0.000 -2.092) 5.801 4.436 ( -1.294 0.000 -5.742) 5.886 4.545 ( 11.978 -0.000 1.377) 12.057 4.826 ( 9.422 -0.000 5.108) 10.718 4.928 ( 5.282 -0.000 0.732) 5.333 5.392 ( 3.157 -0.000 -2.797) 4.218 5.490 ( 11.913 -0.000 3.182) 12.330 5.855 ( -1.441 0.000 -3.711) 3.981 5.930 ( 2.620 -0.000 1.723) 3.136 6.204 ( -2.336 0.000 -7.327) 7.690 6.310 ( 1.169 -0.000 2.223) 2.511 6.544 ( -2.668 0.000 0.464) 2.708 6.849 ( 2.057 -0.000 -1.606) 2.610 7.040 ( -5.392 0.000 5.297) 7.558 7.165 ( 0.450 -0.000 -2.222) 2.267 7.250 ( -2.669 0.000 -0.057) 2.670 7.801 ( 9.426 -0.000 -3.754) 10.146 8.250 ( -3.977 0.000 1.942) 4.425 8.988 ( 5.769 -0.000 15.032) 16.101 8.988 ( -7.495 0.000 14.162) 16.023 10.054 ( 2.115 -0.000 -5.719) 6.098 10.432 ( 10.550 -0.000 -13.631) 17.236 19.136 ( 1.703 -0.000 -0.990) 1.970 19.269 ( 3.091 -0.000 1.041) 3.262 19.302 ( -1.558 0.000 1.530) 2.183 19.401 ( -2.724 0.000 -1.244) 2.994 21.384 ( 0.766 -0.000 1.381) 1.579 21.482 ( -2.109 0.000 -0.236) 2.122 21.587 ( -5.581 0.000 1.503) 5.780 21.704 ( -5.177 0.000 -2.838) 5.904 24.363 ( -0.795 0.000 0.536) 0.958 24.436 ( -0.735 0.000 -0.663) 0.990 24.464 ( 0.921 -0.000 0.347) 0.984 24.573 ( -0.547 0.000 0.668) 0.864 32.582 ( -1.444 0.000 -1.232) 1.898 32.647 ( 0.545 -0.000 -0.310) 0.627 32.666 ( 0.415 -0.000 -1.396) 1.457 32.674 ( 0.830 -0.000 1.255) 1.505 40.939 ( 4.086 -0.000 -8.795) 9.698 41.060 ( -2.199 0.000 5.269) 5.709 41.710 ( -1.924 0.000 -0.122) 1.928 42.424 ( -11.475 0.000 -6.781) 13.329 44.891 ( -3.803 0.000 0.611) 3.851 45.279 ( -5.174 0.000 -0.040) 5.174 47.223 ( 12.659 -0.000 8.886) 15.467 48.607 ( 26.125 -0.000 -17.183) 31.270 ======================= Grid point 161 (80/150) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 5.423 -1.287 8.572) 10.225 2.075 ( 7.265 -3.946 -5.121) 9.725 2.241 ( 0.447 6.081 11.101) 12.665 2.427 ( -4.487 -6.301 3.946) 8.684 2.729 ( -1.424 4.615 -1.446) 5.041 3.027 ( -0.480 5.325 -1.642) 5.593 3.143 ( -3.556 -5.727 0.066) 6.742 3.189 ( 4.123 0.661 1.045) 4.305 3.382 ( 1.498 -0.158 5.132) 5.349 3.499 ( 0.710 3.116 -3.986) 5.109 3.580 ( -8.190 -3.519 -8.738) 12.482 3.974 ( 6.610 1.208 -3.177) 7.433 4.081 ( -2.209 5.432 4.783) 7.567 4.285 ( 3.838 2.891 2.702) 5.512 4.401 ( 2.041 0.753 -3.457) 4.084 4.487 ( 4.093 0.654 -1.534) 4.420 4.720 ( 8.623 1.630 2.916) 9.247 4.920 ( 3.332 6.484 2.118) 7.592 4.971 ( 3.503 1.993 0.135) 4.032 5.396 ( -0.200 0.470 -2.025) 2.089 5.658 ( 8.969 4.149 5.104) 11.123 5.758 ( -3.486 4.341 -3.482) 6.567 5.954 ( -0.371 -0.517 0.621) 0.889 6.084 ( -3.778 3.477 -10.705) 11.873 6.374 ( 1.161 -0.902 5.543) 5.735 6.512 ( -0.753 0.524 1.614) 1.857 6.868 ( 0.725 -1.801 -2.842) 3.442 6.988 ( -2.487 2.060 3.257) 4.587 7.164 ( 0.782 0.048 -1.509) 1.700 7.207 ( -2.822 -0.232 0.066) 2.832 7.926 ( 10.943 1.834 -3.209) 11.551 8.200 ( -4.424 -0.981 0.256) 4.539 8.928 ( -8.377 3.045 16.128) 18.428 9.154 ( 1.135 -5.513 13.248) 14.394 10.039 ( 2.402 2.546 -6.256) 7.169 10.496 ( 9.008 2.357 -12.475) 15.567 19.156 ( 2.394 0.868 -0.491) 2.593 19.286 ( -1.185 0.092 1.307) 1.767 19.321 ( 1.476 -0.885 0.191) 1.731 19.346 ( -3.001 0.112 -1.096) 3.197 21.413 ( 2.111 -0.471 1.920) 2.892 21.461 ( -0.484 -0.447 -0.632) 0.913 21.526 ( -4.129 -1.187 0.632) 4.343 21.648 ( -4.232 -3.992 -2.660) 6.398 24.358 ( -0.421 -0.257 0.645) 0.812 24.424 ( -0.407 0.005 -0.615) 0.738 24.479 ( 0.770 -0.084 0.415) 0.879 24.562 ( -0.950 0.175 0.046) 0.968 32.562 ( -0.378 0.153 -0.393) 0.566 32.639 ( 0.676 1.438 -0.577) 1.691 32.678 ( 0.190 -1.349 -0.910) 1.638 32.692 ( 0.472 0.054 1.114) 1.211 40.965 ( 6.274 3.597 -1.010) 7.302 41.090 ( 0.451 -3.017 2.803) 4.143 41.704 ( -0.384 -1.430 1.020) 1.798 42.215 ( -8.712 1.815 -8.937) 12.612 44.902 ( -1.034 -5.851 1.421) 6.109 45.230 ( -3.973 -3.410 -1.113) 5.353 47.344 ( 5.741 10.610 9.902) 15.608 48.822 ( 16.000 1.598 -19.020) 24.906 ======================= Grid point 162 (81/150) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.874 6.310 14.915) 16.218 2.177 ( 4.265 -1.466 4.121) 6.109 2.302 ( 0.691 -2.071 4.649) 5.136 2.374 ( -7.794 -2.966 -3.362) 8.992 2.660 ( 3.172 7.703 2.393) 8.668 2.907 ( -2.172 4.295 -3.981) 6.246 3.182 ( -4.903 3.511 -1.210) 6.151 3.289 ( 3.370 -16.506 -2.085) 16.975 3.397 ( 3.311 4.628 -8.447) 10.185 3.458 ( 2.889 -1.614 5.803) 6.680 3.552 ( -1.183 -1.583 -3.213) 3.772 3.964 ( -3.411 9.483 6.380) 11.928 4.000 ( 3.608 3.499 -2.183) 5.479 4.188 ( -1.704 13.079 -1.642) 13.291 4.420 ( 1.988 2.108 -0.788) 3.003 4.507 ( 2.299 3.374 0.851) 4.171 4.730 ( -1.254 6.227 0.222) 6.356 4.855 ( 1.248 8.792 1.821) 9.065 4.973 ( 0.725 1.799 1.823) 2.662 5.328 ( -4.460 3.519 -2.906) 6.381 5.600 ( -3.888 5.615 -4.647) 8.261 5.693 ( 1.609 9.151 5.568) 10.832 5.910 ( -2.940 5.190 -9.975) 11.622 5.960 ( -0.150 -1.624 -1.429) 2.168 6.385 ( -0.686 2.570 6.176) 6.725 6.546 ( 2.021 -0.977 3.114) 3.839 6.891 ( 1.547 -0.610 -2.124) 2.698 6.937 ( -1.429 2.524 -1.269) 3.166 7.146 ( -3.041 -1.235 0.300) 3.295 7.232 ( 2.937 -2.465 2.795) 4.745 8.036 ( 11.624 5.456 -1.756) 12.961 8.142 ( -4.724 -1.302 -2.335) 5.428 8.828 ( -10.472 4.396 17.354) 20.740 9.293 ( -3.876 -8.395 10.018) 13.633 9.999 ( 2.605 3.521 -6.642) 7.956 10.498 ( 6.648 5.093 -12.506) 15.051 19.181 ( 2.642 1.081 -0.134) 2.858 19.264 ( -3.082 0.427 -0.155) 3.115 19.297 ( -1.127 -1.064 0.523) 1.636 19.352 ( 0.335 -0.182 -0.254) 0.458 21.448 ( -3.215 -1.721 0.971) 3.774 21.488 ( 3.166 -1.528 -0.125) 3.518 21.518 ( -0.413 -3.505 0.766) 3.611 21.655 ( 0.014 -5.196 -2.775) 5.890 24.364 ( 0.005 -0.437 0.730) 0.851 24.418 ( 0.063 0.012 -0.561) 0.565 24.493 ( 0.563 -0.053 0.560) 0.795 24.542 ( -1.144 0.269 -0.410) 1.244 32.560 ( 0.109 0.095 0.048) 0.153 32.636 ( 1.426 0.793 -0.123) 1.636 32.681 ( -0.747 0.402 0.837) 1.192 32.707 ( 0.730 -0.965 -0.859) 1.484 41.041 ( 7.237 1.855 7.348) 10.479 41.177 ( 3.521 -4.317 -0.279) 5.578 41.737 ( 1.432 -1.254 0.026) 1.903 42.023 ( -7.022 1.649 -10.115) 12.423 45.026 ( 2.725 -9.798 1.970) 10.359 45.240 ( -1.495 -6.055 -1.957) 6.537 47.234 ( -1.509 18.822 11.302) 22.007 48.809 ( 3.991 7.149 -23.049) 24.460 ======================= Grid point 163 (82/150) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -6.253 7.328 14.741) 17.610 2.181 ( -12.539 -2.076 -2.029) 12.871 2.254 ( 0.248 3.027 2.512) 3.941 2.325 ( -0.824 11.792 4.353) 12.597 2.644 ( 4.703 8.451 -1.370) 9.768 2.833 ( -4.687 -0.100 2.428) 5.280 3.010 ( -6.337 -0.012 -5.140) 8.160 3.324 ( 3.999 9.541 -5.371) 11.656 3.454 ( -5.822 -1.140 1.933) 6.240 3.616 ( 6.364 -9.713 -1.707) 11.737 3.630 ( 11.416 -7.625 -3.767) 14.236 3.810 ( -0.147 13.833 5.866) 15.026 3.923 ( -3.233 13.634 -1.343) 14.076 4.048 ( 8.444 2.968 2.189) 9.214 4.339 ( -0.987 9.007 -2.209) 9.326 4.497 ( -1.197 2.241 3.090) 4.000 4.589 ( -5.094 6.560 -1.167) 8.387 4.756 ( 0.176 7.600 1.037) 7.672 4.971 ( -1.090 1.545 2.829) 3.403 5.161 ( -4.697 5.364 -4.900) 8.651 5.434 ( -2.834 7.658 -3.524) 8.894 5.573 ( -3.188 6.610 -3.195) 8.004 5.804 ( 1.196 3.837 -1.255) 4.210 5.971 ( -0.555 -1.815 -1.489) 2.413 6.387 ( 0.897 2.708 5.972) 6.619 6.616 ( 2.603 -1.920 3.662) 4.886 6.845 ( 0.584 5.355 -3.518) 6.434 6.927 ( 0.419 -2.223 -2.782) 3.586 7.117 ( -4.204 -0.413 4.368) 6.076 7.354 ( 4.351 -3.954 3.135) 6.663 8.062 ( -4.889 -0.938 -4.854) 6.953 8.106 ( 11.260 10.320 0.378) 15.278 8.692 ( -11.369 5.089 16.938) 21.025 9.343 ( -10.113 -7.831 7.184) 14.670 9.965 ( 3.033 2.416 -6.560) 7.621 10.433 ( 4.678 6.554 -13.549) 15.761 19.172 ( -2.251 1.542 -0.513) 2.776 19.233 ( 1.155 0.302 -0.229) 1.215 19.324 ( 0.634 -2.059 1.526) 2.640 19.338 ( -1.261 0.656 -0.281) 1.449 21.401 ( -5.309 -1.627 -0.078) 5.554 21.530 ( -1.927 -2.299 0.877) 3.125 21.610 ( 5.069 -4.640 -0.224) 6.876 21.771 ( 5.720 -6.311 -1.615) 8.670 24.377 ( 0.393 -0.475 0.735) 0.960 24.419 ( 0.501 0.014 -0.463) 0.682 24.502 ( 0.010 0.170 0.651) 0.673 24.520 ( -0.767 0.191 -0.455) 0.912 32.555 ( -0.436 0.175 0.078) 0.476 32.650 ( -0.860 0.256 0.414) 0.988 32.673 ( 2.081 0.500 0.372) 2.172 32.725 ( 0.793 -0.822 -1.179) 1.641 41.196 ( 1.624 -5.039 5.945) 7.960 41.313 ( 8.503 -4.677 1.376) 9.802 41.772 ( 3.826 0.728 -1.649) 4.229 41.864 ( -5.836 -0.720 -7.889) 9.840 45.222 ( 2.596 -9.827 -0.074) 10.164 45.370 ( 7.847 -11.015 -0.529) 13.535 46.954 ( -7.021 22.893 12.520) 27.021 48.492 ( -6.850 16.844 -27.283) 32.787 ======================= Grid point 164 (83/150) ======================= q-point: (-0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -5.901 2.213 13.097) 14.535 1.965 ( -9.967 25.410 6.716) 28.109 2.043 ( -11.287 -4.931 -0.264) 12.320 2.171 ( -6.210 3.356 -2.987) 7.665 2.504 ( 0.601 13.819 -2.567) 14.068 2.771 ( -6.216 -3.576 4.992) 8.738 3.036 ( 4.411 -2.297 -3.007) 5.811 3.203 ( 2.343 12.126 -4.468) 13.133 3.372 ( 0.715 7.102 -0.869) 7.191 3.692 ( 2.260 11.122 0.853) 11.381 3.773 ( 5.364 7.713 3.492) 10.023 3.807 ( 6.118 -5.244 -3.968) 8.982 3.828 ( 11.491 1.375 -3.185) 12.003 4.197 ( -2.262 5.126 -0.236) 5.608 4.277 ( 10.611 -7.030 2.611) 12.994 4.399 ( -5.271 7.025 2.664) 9.177 4.434 ( -3.776 2.143 -0.056) 4.342 4.677 ( -1.779 3.982 -0.028) 4.362 4.894 ( -1.121 8.893 0.317) 8.969 5.052 ( -1.725 0.524 -5.157) 5.463 5.311 ( -1.455 4.288 -0.954) 4.628 5.456 ( 0.285 1.775 -4.203) 4.572 5.805 ( 3.505 3.060 2.219) 5.155 5.979 ( -1.038 -2.842 -1.286) 3.287 6.395 ( 1.351 2.489 3.903) 4.822 6.701 ( 2.007 -1.207 2.885) 3.716 6.785 ( 2.520 4.094 -1.844) 5.149 6.942 ( 0.547 -1.316 -2.659) 3.017 7.088 ( -4.489 -1.442 6.695) 8.189 7.464 ( 2.026 -1.997 2.305) 3.662 7.957 ( -4.075 2.872 -5.130) 7.153 8.131 ( 10.191 10.212 3.038) 14.744 8.553 ( -9.149 4.447 13.473) 16.882 9.280 ( -14.101 -5.791 5.966) 16.370 9.961 ( 3.406 0.440 -5.999) 6.912 10.343 ( 4.459 5.342 -14.642) 16.212 19.109 ( -2.674 0.845 -1.126) 3.022 19.247 ( 1.856 1.825 -0.059) 2.603 19.309 ( -1.265 0.344 0.809) 1.540 19.377 ( 0.931 -2.618 1.610) 3.212 21.346 ( -4.766 -2.012 -0.140) 5.175 21.528 ( -2.591 -2.542 0.425) 3.654 21.746 ( 4.752 -3.567 -0.097) 5.942 21.927 ( 4.927 -4.822 -0.712) 6.931 24.394 ( 0.692 -0.302 0.584) 0.955 24.424 ( 0.400 0.200 -0.278) 0.527 24.490 ( -0.928 0.040 -0.250) 0.962 24.520 ( 0.459 0.157 0.821) 0.954 32.549 ( -0.273 -0.034 0.383) 0.472 32.624 ( -1.525 0.460 0.634) 1.714 32.709 ( 2.159 -0.251 -1.344) 2.555 32.736 ( 0.605 0.019 -0.996) 1.165 41.202 ( -6.754 -3.506 -6.279) 9.866 41.504 ( 2.466 -3.292 1.449) 4.361 41.745 ( -2.786 -1.824 -7.139) 7.877 41.963 ( 9.742 -11.034 6.754) 16.195 45.370 ( 3.389 -8.361 -2.859) 9.464 45.718 ( 13.743 -12.884 0.899) 18.859 46.586 ( -9.939 22.934 11.605) 27.558 47.938 ( -6.789 24.565 -26.669) 36.889 ======================= Grid point 169 (84/150) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 9.530 -0.000 13.407) 16.449 2.161 ( 9.713 -0.000 -0.426) 9.722 2.266 ( -9.751 -0.000 5.935) 11.415 2.307 ( -7.530 0.000 2.819) 8.040 2.826 ( 7.204 -0.000 5.159) 8.860 2.961 ( -10.137 -0.000 -3.608) 10.760 2.975 ( -1.352 -0.000 -7.096) 7.223 3.233 ( -5.861 -0.000 -2.348) 6.314 3.448 ( 3.171 -0.000 2.428) 3.994 3.461 ( 8.131 -0.000 -6.038) 10.128 3.540 ( -0.410 -0.000 -1.120) 1.192 4.030 ( 1.983 -0.000 -2.483) 3.177 4.099 ( -3.218 -0.000 8.700) 9.276 4.328 ( 2.181 -0.000 -7.012) 7.344 4.459 ( 1.108 -0.000 5.796) 5.901 4.540 ( 2.194 -0.000 -0.032) 2.194 4.873 ( 5.822 -0.000 4.177) 7.165 4.899 ( -6.773 -0.000 -3.827) 7.779 5.087 ( 2.109 -0.000 4.862) 5.299 5.347 ( -4.335 -0.000 -3.870) 5.811 5.672 ( -2.817 -0.000 -3.615) 4.583 5.871 ( 4.651 -0.000 6.936) 8.351 5.901 ( -5.131 -0.000 -0.587) 5.164 5.975 ( -4.929 -0.000 -12.550) 13.483 6.419 ( -0.221 -0.000 7.080) 7.083 6.556 ( 4.609 -0.000 1.234) 4.772 6.847 ( 0.374 -0.000 -3.353) 3.374 7.009 ( 0.501 -0.000 3.996) 4.028 7.112 ( -3.558 -0.000 -6.376) 7.302 7.200 ( 1.235 -0.000 1.641) 2.053 8.109 ( 13.433 -0.000 -2.031) 13.586 8.123 ( -4.879 -0.000 -1.204) 5.025 8.900 ( -10.016 -0.000 16.536) 19.332 9.163 ( -3.648 -0.000 13.039) 13.540 10.054 ( 1.591 -0.000 -5.802) 6.016 10.568 ( 6.804 -0.000 -11.630) 13.474 19.193 ( 2.060 -0.000 0.208) 2.071 19.274 ( -1.096 -0.000 1.383) 1.765 19.277 ( -4.028 -0.000 -1.281) 4.227 19.352 ( 1.902 -0.000 -0.821) 2.072 21.430 ( -0.655 -0.000 1.817) 1.931 21.447 ( -0.220 -0.000 -0.365) 0.427 21.488 ( -0.988 -0.000 1.020) 1.420 21.581 ( 1.327 -0.000 -3.066) 3.341 24.358 ( 0.087 -0.000 0.706) 0.712 24.418 ( 0.079 -0.000 -0.619) 0.624 24.492 ( 0.621 -0.000 0.700) 0.935 24.546 ( -1.192 -0.000 -0.411) 1.261 32.562 ( 0.295 -0.000 -0.195) 0.354 32.648 ( -0.169 -0.000 -1.827) 1.835 32.679 ( 1.538 -0.000 0.785) 1.727 32.698 ( -0.438 -0.000 0.693) 0.820 41.095 ( 8.642 -0.000 -1.874) 8.843 41.101 ( 0.716 -0.000 5.455) 5.502 41.717 ( 2.153 -0.000 2.306) 3.155 42.051 ( -7.304 -0.000 -11.271) 13.430 44.886 ( 2.437 -0.000 2.702) 3.638 45.155 ( -1.774 -0.000 -2.317) 2.918 47.496 ( -2.406 -0.000 10.411) 10.686 48.891 ( 5.215 -0.000 -18.883) 19.590 ======================= Grid point 171 (85/150) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -11.549 5.539 7.802) 14.998 2.145 ( -12.437 -0.721 0.946) 12.493 2.257 ( 5.477 -1.113 9.974) 11.434 2.382 ( 9.209 -3.425 3.091) 10.300 2.746 ( -2.905 1.189 -6.309) 7.046 2.919 ( 1.192 0.727 -5.191) 5.375 3.057 ( -4.384 2.405 -1.011) 5.102 3.148 ( 4.201 -8.135 4.034) 10.005 3.466 ( -3.569 2.032 -5.881) 7.173 3.514 ( 3.640 0.443 1.678) 4.032 3.589 ( 9.493 -0.403 -3.151) 10.010 4.013 ( -0.541 2.228 -1.534) 2.759 4.085 ( -1.042 4.778 7.590) 9.029 4.294 ( -0.848 4.743 0.127) 4.820 4.466 ( -1.792 1.846 3.516) 4.356 4.539 ( -1.810 0.679 0.500) 1.997 4.711 ( -9.897 2.989 -3.272) 10.844 4.942 ( 0.000 0.651 4.082) 4.134 5.042 ( -3.417 7.414 5.192) 9.674 5.238 ( -6.842 0.116 -5.878) 9.021 5.601 ( -1.485 3.899 -3.598) 5.509 5.756 ( -5.069 4.939 -8.261) 10.878 5.843 ( -4.997 -0.099 -4.587) 6.784 5.945 ( -0.226 -0.404 4.916) 4.938 6.443 ( -0.527 1.226 8.156) 8.264 6.614 ( 3.406 1.870 0.713) 3.950 6.847 ( -0.896 -3.253 -3.245) 4.681 6.980 ( -0.778 4.209 -4.256) 6.036 7.082 ( -0.964 -2.090 1.830) 2.941 7.264 ( 4.472 -2.467 1.513) 5.326 8.039 ( -5.160 -0.563 -3.491) 6.255 8.291 ( 14.480 3.433 -1.381) 14.946 8.813 ( -10.835 3.370 18.474) 21.680 9.178 ( -7.611 -3.984 11.811) 14.604 10.028 ( 0.971 1.718 -5.936) 6.255 10.566 ( 4.010 2.997 -12.196) 13.184 19.203 ( -3.128 0.901 -0.825) 3.358 19.228 ( 0.876 -0.518 0.455) 1.115 19.277 ( -0.358 -1.096 1.480) 1.876 19.364 ( 0.951 0.761 -1.317) 1.794 21.399 ( -2.292 1.363 0.571) 2.726 21.465 ( -1.068 -2.743 0.168) 2.948 21.521 ( 3.871 -1.652 0.705) 4.267 21.641 ( 5.497 -2.929 -1.856) 6.499 24.368 ( 0.555 -0.182 0.740) 0.943 24.420 ( 0.563 0.003 -0.587) 0.813 24.505 ( 0.463 0.076 1.024) 1.126 24.524 ( -1.212 0.076 -0.646) 1.376 32.562 ( -0.032 0.271 -0.327) 0.426 32.639 ( -0.292 -0.697 -1.165) 1.388 32.685 ( -0.747 0.342 -0.157) 0.837 32.714 ( 1.926 -0.132 0.811) 2.094 41.143 ( 1.813 -0.195 2.801) 3.342 41.233 ( 8.583 -1.592 0.559) 8.747 41.780 ( 4.293 0.073 1.894) 4.693 41.881 ( -6.149 0.841 -11.854) 13.381 45.001 ( 5.535 -5.449 3.094) 8.361 45.159 ( 1.312 -4.265 -2.742) 5.237 47.392 ( -10.321 9.150 11.034) 17.663 48.760 ( -5.255 4.635 -20.019) 21.210 ======================= Grid point 172 (86/150) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -13.450 1.686 3.012) 13.886 1.980 ( -12.483 -0.818 2.720) 12.802 2.262 ( -5.559 3.370 -0.246) 6.505 2.494 ( 2.677 5.963 4.752) 8.081 2.734 ( -13.918 8.439 2.265) 16.434 2.815 ( 3.379 6.026 -0.808) 6.956 2.956 ( 5.613 -3.309 -3.302) 7.305 3.324 ( -1.532 -2.357 -2.433) 3.718 3.400 ( 0.547 -3.826 5.997) 7.135 3.614 ( 8.488 -2.723 -5.067) 10.253 3.719 ( 7.046 -3.795 -3.583) 8.768 3.958 ( 0.000 4.837 2.429) 5.413 3.991 ( -1.945 8.445 -0.603) 8.687 4.214 ( -0.330 4.721 3.905) 6.135 4.382 ( -7.046 1.533 0.531) 7.230 4.494 ( -4.541 1.085 4.016) 6.158 4.546 ( -3.828 3.933 -1.639) 5.728 4.877 ( -2.449 9.130 1.379) 9.552 4.950 ( -5.685 -0.537 7.023) 9.051 5.091 ( -4.687 1.058 -8.281) 9.574 5.478 ( -2.093 7.114 -2.887) 7.958 5.575 ( -2.884 5.189 -8.427) 10.308 5.796 ( -1.555 -2.995 -1.909) 3.876 5.947 ( -2.379 0.327 3.505) 4.249 6.464 ( 0.044 1.847 7.820) 8.035 6.641 ( 0.790 -1.221 1.847) 2.351 6.847 ( -1.440 -1.461 -3.219) 3.817 6.913 ( -0.575 -0.343 -5.723) 5.763 7.084 ( -0.804 1.765 3.720) 4.195 7.395 ( 5.325 -3.233 2.061) 6.561 7.947 ( -4.892 -1.002 -5.603) 7.505 8.424 ( 13.264 7.051 -2.010) 15.155 8.693 ( -9.926 7.134 20.781) 24.110 9.150 ( -11.327 -3.882 10.988) 16.251 9.989 ( 1.249 1.390 -6.089) 6.369 10.484 ( 1.854 4.959 -14.074) 15.037 19.133 ( -3.320 0.966 -1.072) 3.620 19.256 ( 0.924 -0.681 0.854) 1.430 19.308 ( 0.211 -1.905 1.781) 2.616 19.350 ( 0.535 1.646 -0.919) 1.959 21.347 ( -1.869 1.977 0.559) 2.777 21.475 ( -1.009 -1.505 -0.189) 1.822 21.642 ( 5.773 -4.028 0.383) 7.050 21.785 ( 6.705 -5.278 -0.914) 8.582 24.386 ( 0.892 -0.263 0.694) 1.161 24.428 ( 0.870 0.060 -0.474) 0.993 24.495 ( -1.209 0.311 -0.512) 1.349 24.522 ( 0.468 0.002 1.203) 1.291 32.551 ( -0.463 0.284 -0.133) 0.559 32.632 ( -1.490 -0.137 0.186) 1.508 32.677 ( 0.004 -1.307 -2.229) 2.584 32.747 ( 2.072 0.392 0.596) 2.191 41.149 ( -1.908 -0.154 -5.931) 6.232 41.404 ( 8.359 -3.322 3.095) 9.513 41.730 ( -4.755 0.476 -8.955) 10.150 41.864 ( 5.962 -0.166 2.488) 6.462 45.159 ( 3.770 -6.257 -1.317) 7.423 45.354 ( 10.642 -13.223 0.978) 17.001 47.095 ( -15.825 14.459 11.460) 24.307 48.404 ( -12.051 11.476 -21.344) 27.065 ======================= Grid point 173 (87/150) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -9.851 -3.996 2.357) 10.889 1.815 ( -14.895 -3.062 1.235) 15.257 2.096 ( -8.635 14.207 -1.494) 16.692 2.157 ( -10.609 11.427 6.144) 16.760 2.517 ( -8.181 1.260 -2.541) 8.659 2.792 ( 3.248 6.395 3.829) 8.130 3.122 ( 7.623 -0.210 4.053) 8.636 3.298 ( 1.383 4.106 -5.726) 7.180 3.458 ( 0.541 1.598 5.745) 5.988 3.673 ( -1.125 -1.227 -7.523) 7.705 3.831 ( 0.056 -0.930 -3.966) 4.074 3.887 ( 0.802 -1.756 -0.239) 1.945 3.993 ( 7.750 -0.452 -1.406) 7.889 4.177 ( -3.106 0.295 0.296) 3.134 4.328 ( -0.752 -4.944 0.016) 5.000 4.421 ( -2.785 5.145 4.595) 7.439 4.476 ( 3.330 4.810 4.401) 7.320 4.707 ( -5.436 7.612 0.890) 9.396 4.892 ( -6.954 -0.759 2.381) 7.390 5.010 ( -0.346 1.290 -7.265) 7.387 5.359 ( 0.212 5.173 -2.843) 5.907 5.489 ( 2.175 1.812 -1.197) 3.073 5.838 ( 0.603 -4.431 -0.708) 4.528 5.911 ( -3.506 -0.950 -0.131) 3.635 6.473 ( 0.359 2.796 6.283) 6.887 6.686 ( -1.925 -3.783 3.209) 5.321 6.834 ( 0.804 -0.027 -1.970) 2.128 6.882 ( -3.131 -3.188 -4.498) 6.340 7.082 ( 1.571 1.803 4.424) 5.029 7.484 ( 1.194 -0.111 0.761) 1.421 7.873 ( -2.905 -1.466 -5.895) 6.734 8.479 ( 9.761 8.231 -3.679) 13.288 8.568 ( -5.245 10.217 21.518) 24.391 9.068 ( -12.581 -2.664 11.510) 17.259 9.970 ( 1.583 -0.067 -5.887) 6.096 10.366 ( 1.777 3.691 -16.000) 16.517 19.073 ( -2.149 0.642 -1.459) 2.676 19.279 ( 0.353 -0.468 0.887) 1.063 19.316 ( -0.001 1.369 0.557) 1.478 19.366 ( 0.744 -1.869 1.617) 2.581 21.304 ( -0.656 1.945 0.828) 2.213 21.479 ( -0.342 -1.024 -0.548) 1.211 21.771 ( 4.130 -3.089 0.024) 5.157 21.939 ( 4.847 -4.264 -0.347) 6.465 24.407 ( 0.920 -0.168 0.576) 1.098 24.435 ( 0.573 0.493 -0.280) 0.805 24.473 ( -0.899 -0.052 -0.580) 1.071 24.536 ( 0.563 0.176 1.577) 1.684 32.545 ( -0.248 -0.210 0.285) 0.433 32.611 ( -1.236 0.124 0.722) 1.437 32.683 ( -0.493 -1.792 -3.097) 3.612 32.766 ( 1.377 0.877 -0.295) 1.659 41.014 ( -8.097 -0.170 -13.222) 15.506 41.545 ( 1.388 1.948 3.322) 4.094 41.651 ( 1.037 -3.221 -6.958) 7.737 42.015 ( 6.786 -5.331 5.059) 10.003 45.308 ( 5.211 -8.338 -3.165) 10.329 45.740 ( 12.144 -14.184 1.043) 18.702 46.693 ( -17.767 15.963 9.992) 25.891 47.958 ( -6.552 12.678 -19.991) 24.562 ======================= Grid point 179 (88/150) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -14.856 0.000 -3.087) 15.173 1.943 ( -15.093 0.000 6.153) 16.299 2.310 ( -6.183 0.000 0.699) 6.222 2.599 ( 15.109 -0.000 9.255) 17.719 2.623 ( 0.162 -0.000 -3.670) 3.673 2.972 ( 5.590 -0.000 -1.201) 5.718 2.997 ( -6.251 0.000 -1.754) 6.492 3.257 ( -1.374 0.000 1.150) 1.792 3.344 ( -1.219 0.000 1.922) 2.276 3.604 ( 7.230 -0.000 -2.381) 7.612 3.675 ( 4.842 -0.000 -3.578) 6.020 4.012 ( 0.815 -0.000 -3.423) 3.519 4.142 ( -2.999 0.000 6.229) 6.914 4.279 ( -5.592 0.000 1.347) 5.752 4.375 ( -16.074 0.000 3.752) 16.506 4.491 ( -4.705 0.000 2.373) 5.269 4.606 ( -0.630 0.000 -0.712) 0.951 4.931 ( -6.555 0.000 7.746) 10.147 5.030 ( -7.909 0.000 3.811) 8.779 5.095 ( -5.995 0.000 -9.347) 11.104 5.613 ( 0.867 -0.000 -1.793) 1.991 5.643 ( -4.893 0.000 -13.312) 14.182 5.737 ( -5.147 0.000 -3.400) 6.168 5.951 ( -3.558 0.000 6.733) 7.616 6.481 ( -1.628 0.000 9.254) 9.396 6.666 ( 0.856 -0.000 -0.283) 0.901 6.764 ( -3.229 0.000 -3.047) 4.440 6.911 ( -4.155 0.000 -7.788) 8.827 7.145 ( 4.404 -0.000 4.512) 6.305 7.327 ( 5.847 -0.000 0.862) 5.910 7.934 ( -5.300 0.000 -5.042) 7.315 8.495 ( 8.152 -0.000 -0.196) 8.154 8.823 ( -2.642 0.000 19.021) 19.204 9.092 ( -9.496 0.000 12.760) 15.906 10.012 ( 0.101 -0.000 -6.166) 6.167 10.558 ( 1.200 -0.000 -13.342) 13.396 19.151 ( -3.357 0.000 -0.778) 3.446 19.238 ( 0.050 -0.000 0.655) 0.657 19.282 ( 0.857 -0.000 1.986) 2.163 19.376 ( 0.860 -0.000 -1.698) 1.903 21.413 ( 0.288 -0.000 1.039) 1.078 21.436 ( 0.464 -0.000 -0.089) 0.472 21.576 ( 4.769 -0.000 0.819) 4.839 21.702 ( 6.513 -0.000 -1.464) 6.675 24.382 ( 0.941 -0.000 0.741) 1.198 24.428 ( 0.984 -0.000 -0.577) 1.141 24.501 ( -1.318 0.000 -0.781) 1.532 24.521 ( 0.585 -0.000 1.644) 1.745 32.559 ( -0.363 0.000 -0.564) 0.671 32.618 ( -0.825 0.000 -0.794) 1.145 32.664 ( -1.465 0.000 -1.035) 1.794 32.752 ( 2.230 -0.000 0.618) 2.314 41.160 ( 1.120 -0.000 -5.964) 6.068 41.356 ( 8.244 -0.000 1.746) 8.427 41.742 ( -4.975 0.000 -9.631) 10.840 41.868 ( 5.456 -0.000 2.285) 5.915 45.091 ( 8.361 -0.000 4.132) 9.326 45.138 ( 2.742 -0.000 -3.452) 4.408 47.291 ( -18.144 0.000 10.461) 20.943 48.553 ( -12.599 0.000 -18.861) 22.682 ======================= Grid point 180 (89/150) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -13.454 1.200 -1.560) 13.597 1.732 ( -17.452 -3.297 -0.956) 17.786 2.207 ( -2.674 0.901 -0.686) 2.904 2.563 ( -6.238 3.944 0.473) 7.395 2.692 ( -16.855 19.975 2.150) 26.224 2.928 ( 8.152 -3.512 4.113) 9.783 3.047 ( 7.030 -0.165 5.674) 9.036 3.163 ( -6.649 -12.227 -4.417) 14.602 3.462 ( 3.721 1.248 7.288) 8.277 3.691 ( 4.727 -1.026 -5.481) 7.310 3.710 ( 1.439 -0.401 -2.712) 3.096 3.981 ( -7.549 4.884 -0.599) 9.011 4.022 ( -0.747 2.406 -4.404) 5.073 4.153 ( -13.657 -2.349 2.631) 14.105 4.217 ( -5.025 -4.063 -0.261) 6.467 4.467 ( -2.385 -0.278 6.980) 7.382 4.610 ( 1.581 3.746 2.145) 4.597 4.849 ( -11.686 -1.161 9.802) 15.297 4.895 ( -5.905 3.775 -1.144) 7.102 4.979 ( -2.889 -2.010 -10.156) 10.748 5.489 ( -3.265 3.132 -9.875) 10.862 5.575 ( -0.319 4.742 -0.383) 4.768 5.706 ( -0.947 -4.539 -2.541) 5.287 5.909 ( -5.841 -0.094 4.047) 7.106 6.501 ( -2.925 -0.632 9.407) 9.872 6.641 ( -0.963 1.543 0.752) 1.969 6.746 ( -3.187 -4.821 -2.606) 6.340 6.823 ( -2.803 -1.428 -6.915) 7.597 7.195 ( 4.340 4.942 3.311) 7.364 7.443 ( 4.930 -2.686 1.484) 5.807 7.831 ( -4.625 -0.863 -6.056) 7.669 8.531 ( -3.410 0.287 7.053) 7.840 8.917 ( 8.204 9.102 12.777) 17.703 9.023 ( -9.393 -1.166 12.971) 16.058 9.977 ( 0.496 0.434 -6.585) 6.618 10.459 ( -1.307 2.506 -16.140) 16.386 19.096 ( -2.539 0.828 -0.787) 2.784 19.246 ( -0.553 -1.403 0.430) 1.569 19.313 ( 0.897 -0.385 2.343) 2.538 19.374 ( 0.901 0.901 -1.060) 1.657 21.397 ( 1.663 4.163 1.243) 4.653 21.465 ( 1.356 -0.638 -0.180) 1.509 21.678 ( 5.109 -3.040 0.621) 5.978 21.821 ( 6.681 -3.532 -0.985) 7.621 24.403 ( 1.122 -0.100 0.687) 1.319 24.442 ( 1.217 0.092 -0.529) 1.330 24.476 ( -1.260 0.150 -0.717) 1.458 24.541 ( 0.725 0.133 2.213) 2.333 32.546 ( -0.631 0.224 -0.296) 0.732 32.607 ( -1.319 -0.562 0.152) 1.442 32.640 ( -1.094 -0.882 -2.040) 2.477 32.780 ( 1.532 0.240 -0.276) 1.575 41.061 ( -4.474 2.509 -18.561) 19.257 41.501 ( 7.613 -2.645 1.553) 8.207 41.647 ( -2.560 0.873 -2.783) 3.881 41.966 ( 5.675 -0.113 3.475) 6.656 45.165 ( 4.727 -0.969 -2.187) 5.297 45.352 ( 10.757 -12.354 2.347) 16.548 46.992 ( -22.662 6.072 9.782) 25.419 48.194 ( -16.142 4.764 -19.158) 25.500 ======================= Grid point 181 (90/150) ======================= q-point: (-0.12 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -17.252 -6.200 0.016) 18.332 1.557 ( -11.860 -2.792 -0.269) 12.187 2.090 ( -17.014 14.269 -0.401) 22.209 2.193 ( -0.936 5.251 5.526) 7.680 2.418 ( -7.703 2.672 1.174) 8.238 2.940 ( 1.444 6.185 0.274) 6.357 3.134 ( -8.825 -10.315 -0.505) 13.585 3.354 ( 6.279 -2.149 7.315) 9.877 3.484 ( -2.317 1.522 5.185) 5.880 3.589 ( -8.246 4.360 -7.357) 11.880 3.728 ( 1.376 -3.330 -8.478) 9.212 3.824 ( -4.076 -2.636 0.483) 4.878 3.991 ( -3.088 -3.073 -0.242) 4.364 4.127 ( 0.200 -3.411 -0.397) 3.440 4.243 ( 1.409 -6.329 -4.045) 7.642 4.481 ( -2.029 -0.476 7.404) 7.692 4.599 ( 1.947 2.463 5.598) 6.419 4.682 ( -8.944 5.270 1.785) 10.534 4.801 ( -3.604 0.842 -0.969) 3.826 4.935 ( -2.979 -2.908 -7.395) 8.486 5.386 ( -0.159 1.468 -5.822) 6.007 5.550 ( 1.582 0.572 3.290) 3.695 5.749 ( -0.067 -4.285 -3.242) 5.374 5.832 ( -5.967 -0.738 0.335) 6.022 6.501 ( -5.394 -1.382 7.912) 9.675 6.630 ( -1.121 0.086 3.630) 3.800 6.734 ( -3.094 -4.801 -4.375) 7.194 6.814 ( 0.189 -3.624 -2.591) 4.459 7.211 ( 5.100 5.416 3.408) 8.183 7.498 ( -0.874 1.420 -0.203) 1.680 7.782 ( -1.121 -3.051 -4.517) 5.565 8.505 ( -4.450 0.726 9.390) 10.416 8.889 ( -4.354 5.532 10.127) 12.333 9.014 ( 4.728 9.747 11.501) 15.799 9.951 ( 1.070 -0.106 -6.833) 6.917 10.311 ( -1.511 0.950 -18.378) 18.465 19.050 ( -1.267 0.789 -1.137) 1.876 19.261 ( -0.807 -1.953 0.449) 2.160 19.335 ( 0.435 0.264 1.671) 1.747 19.378 ( 0.895 0.388 0.861) 1.301 21.378 ( 2.917 4.821 1.642) 5.869 21.486 ( 1.948 0.636 -0.988) 2.274 21.787 ( 3.089 -2.768 0.140) 4.150 21.956 ( 4.606 -3.454 -0.553) 5.784 24.423 ( 0.857 0.089 0.680) 1.098 24.446 ( -0.325 0.562 -0.571) 0.865 24.461 ( 0.458 -0.106 -0.543) 0.718 24.560 ( 0.681 0.595 2.345) 2.513 32.538 ( -0.492 -0.313 0.231) 0.628 32.597 ( -0.928 -0.528 0.875) 1.380 32.632 ( -1.007 -1.651 -2.379) 3.066 32.786 ( 0.576 0.640 -1.290) 1.551 40.797 ( -10.762 1.357 -19.783) 22.562 41.578 ( -1.602 3.453 -3.193) 4.968 41.658 ( 6.195 -3.115 1.696) 7.139 42.081 ( 4.798 -1.636 5.018) 7.133 45.277 ( 5.638 -6.141 -2.827) 8.803 45.724 ( 10.310 -14.564 1.068) 17.876 46.592 ( -22.895 8.641 7.914) 25.719 47.837 ( -7.928 0.304 -19.359) 20.922 ======================= Grid point 188 (91/150) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -22.288 0.000 -3.511) 22.563 1.513 ( -8.188 0.000 -2.021) 8.433 2.228 ( 2.000 -0.000 4.244) 4.692 2.454 ( -11.989 0.000 -2.071) 12.166 2.642 ( -23.641 0.000 -5.520) 24.277 2.705 ( -19.548 0.000 7.783) 21.041 2.982 ( -2.575 0.000 -0.947) 2.743 3.286 ( 14.757 -0.000 12.868) 19.579 3.547 ( 1.098 -0.000 1.140) 1.583 3.655 ( -5.355 0.000 -6.855) 8.699 3.667 ( -5.665 0.000 4.552) 7.267 3.914 ( -6.742 0.000 1.171) 6.843 3.977 ( 0.062 -0.000 -2.001) 2.002 4.022 ( -7.838 0.000 -8.224) 11.361 4.086 ( 1.656 -0.000 -0.611) 1.765 4.444 ( -7.184 0.000 6.520) 9.701 4.666 ( 0.758 -0.000 -0.717) 1.044 4.726 ( -9.013 0.000 9.828) 13.335 4.824 ( -5.417 0.000 -0.815) 5.478 4.873 ( 0.089 -0.000 -10.268) 10.269 5.413 ( -1.644 0.000 -7.546) 7.723 5.551 ( -5.030 0.000 -5.633) 7.552 5.718 ( 4.811 -0.000 5.351) 7.196 5.819 ( -7.858 0.000 1.397) 7.981 6.475 ( -5.730 0.000 8.483) 10.237 6.647 ( -1.799 0.000 -3.941) 4.332 6.662 ( -0.761 0.000 3.484) 3.566 6.744 ( -1.290 0.000 -5.342) 5.495 7.319 ( 4.894 -0.000 2.530) 5.509 7.494 ( 2.666 -0.000 1.722) 3.174 7.732 ( -2.912 0.000 -5.293) 6.041 8.513 ( -4.987 0.000 11.443) 12.483 8.915 ( -10.912 0.000 12.712) 16.754 9.226 ( 12.845 -0.000 8.650) 15.487 9.955 ( 1.282 -0.000 -6.944) 7.062 10.327 ( -5.254 0.000 -20.513) 21.175 19.067 ( -1.758 0.000 -0.454) 1.815 19.224 ( -0.827 0.000 -0.196) 0.850 19.337 ( 0.577 -0.000 2.599) 2.662 19.389 ( 1.095 -0.000 -0.567) 1.233 21.480 ( 2.376 -0.000 -0.060) 2.377 21.486 ( 3.188 -0.000 1.597) 3.566 21.732 ( 4.404 -0.000 0.521) 4.435 21.891 ( 6.519 -0.000 -1.093) 6.610 24.423 ( 1.164 -0.000 0.606) 1.312 24.455 ( -1.163 0.000 -0.582) 1.300 24.459 ( 1.407 -0.000 -0.699) 1.571 24.571 ( 1.242 -0.000 3.059) 3.302 32.535 ( -0.809 0.000 -0.006) 0.809 32.585 ( -1.250 0.000 0.512) 1.351 32.606 ( -1.083 0.000 -1.712) 2.026 32.795 ( 0.733 -0.000 -1.145) 1.360 40.843 ( -10.337 0.000 -28.207) 30.042 41.580 ( 5.794 -0.000 -1.579) 6.005 41.642 ( -0.102 0.000 2.509) 2.511 42.072 ( 5.217 -0.000 6.216) 8.116 45.232 ( 5.453 -0.000 -3.154) 6.299 45.423 ( 9.892 -0.000 3.436) 10.471 46.711 ( -25.474 0.000 8.162) 26.749 47.844 ( -19.416 0.000 -20.401) 28.163 ======================= Grid point 189 (92/150) ======================= q-point: (-0.12 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -17.697 -6.684 3.904) 19.316 1.352 ( -16.397 1.605 1.889) 16.584 2.007 ( -14.971 8.726 -0.052) 17.329 2.262 ( -6.817 4.323 1.362) 8.186 2.376 ( -1.710 2.176 4.771) 5.516 2.614 ( -23.414 -21.105 3.505) 31.716 2.889 ( -9.990 -6.635 -3.888) 12.608 3.397 ( -8.185 8.195 -2.058) 11.764 3.455 ( -2.990 5.278 -2.470) 6.550 3.606 ( -0.822 -1.658 9.229) 9.413 3.713 ( 1.064 -3.281 0.781) 3.536 3.785 ( 3.697 5.506 -4.191) 7.845 3.908 ( -0.230 -4.853 0.665) 4.904 4.080 ( -1.774 -2.859 -1.898) 3.863 4.113 ( -1.482 -8.532 -4.387) 9.708 4.352 ( -11.168 -4.857 7.059) 14.077 4.658 ( 2.242 -0.094 -2.207) 3.148 4.668 ( -2.791 1.090 2.746) 4.064 4.752 ( -3.777 0.848 0.040) 3.872 4.847 ( -0.134 0.657 -6.257) 6.293 5.371 ( 0.638 1.783 -3.533) 4.008 5.476 ( -3.294 -5.801 -6.568) 9.361 5.713 ( -6.649 -2.097 -0.997) 7.042 5.809 ( 4.890 3.398 5.704) 8.246 6.417 ( -7.502 0.012 5.943) 9.571 6.626 ( -0.825 -2.941 -5.363) 6.172 6.676 ( 0.777 0.869 7.260) 7.353 6.750 ( 0.625 -4.305 -2.017) 4.795 7.378 ( 5.734 4.290 2.472) 7.576 7.488 ( -3.189 1.842 -0.555) 3.724 7.726 ( 1.333 -2.534 -1.332) 3.158 8.510 ( -2.719 0.598 8.647) 9.084 8.821 ( -10.376 -0.128 11.831) 15.737 9.349 ( 6.823 10.154 4.653) 13.089 9.939 ( 2.187 0.729 -7.297) 7.653 10.134 ( -5.064 -3.669 -21.250) 22.151 19.041 ( -0.634 0.549 -0.387) 0.924 19.222 ( -0.823 -1.731 -0.344) 1.948 19.352 ( -0.142 0.234 2.234) 2.251 19.403 ( 1.178 0.465 0.510) 1.365 21.497 ( 3.300 3.175 0.847) 4.657 21.534 ( 3.006 1.388 -0.057) 3.311 21.800 ( 2.425 -1.344 0.158) 2.777 21.987 ( 4.657 -1.506 -1.004) 4.997 24.435 ( -0.797 0.082 -0.610) 1.007 24.442 ( 0.777 0.325 0.755) 1.131 24.475 ( 1.251 0.109 -0.876) 1.531 24.601 ( 1.246 1.367 2.655) 3.236 32.529 ( -0.420 -0.078 0.968) 1.058 32.576 ( -1.065 -0.806 0.232) 1.355 32.594 ( -0.387 -1.159 -0.428) 1.295 32.790 ( 0.167 0.540 -1.817) 1.903 40.511 ( -13.032 -0.601 -18.423) 22.574 41.600 ( 0.736 3.709 -3.133) 4.911 41.696 ( 3.306 -3.710 -0.065) 4.970 42.177 ( 3.413 0.936 8.568) 9.270 45.295 ( 5.167 -1.102 -2.344) 5.780 45.687 ( 8.732 -13.228 1.156) 15.893 46.348 ( -23.962 3.395 5.924) 24.916 47.491 ( -14.691 -10.307 -23.676) 29.709 ======================= Grid point 197 (93/150) ======================= q-point: (-0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -9.669 0.000 15.203) 18.017 1.071 ( -27.210 0.000 4.151) 27.525 1.685 ( -33.519 0.000 11.123) 35.317 2.125 ( -2.107 0.000 -5.632) 6.013 2.260 ( -9.636 0.000 6.121) 11.416 2.496 ( 2.881 -0.000 5.386) 6.109 2.570 ( -13.791 0.000 -4.771) 14.592 3.373 ( -1.338 0.000 -9.370) 9.465 3.393 ( -10.828 0.000 -0.896) 10.865 3.524 ( -4.150 0.000 1.469) 4.402 3.801 ( 1.025 -0.000 -4.885) 4.991 3.818 ( -0.353 0.000 -5.864) 5.874 3.849 ( -4.526 0.000 -1.531) 4.778 3.933 ( -4.499 0.000 8.560) 9.670 4.102 ( 1.537 -0.000 4.104) 4.382 4.227 ( -2.930 0.000 5.845) 6.538 4.631 ( -1.650 0.000 0.105) 1.654 4.679 ( 4.591 -0.000 -5.477) 7.147 4.726 ( -3.722 0.000 3.838) 5.347 4.836 ( 0.491 -0.000 -5.251) 5.274 5.311 ( -4.456 0.000 -7.181) 8.451 5.455 ( 6.737 -0.000 -0.805) 6.785 5.569 ( -5.537 0.000 -4.693) 7.258 5.965 ( 5.886 -0.000 7.356) 9.421 6.340 ( -7.099 0.000 3.795) 8.050 6.577 ( 0.470 -0.000 -5.454) 5.474 6.725 ( 1.989 -0.000 -1.721) 2.630 6.740 ( 0.924 -0.000 9.986) 10.028 7.444 ( -3.835 0.000 -0.063) 3.835 7.500 ( 5.186 -0.000 0.413) 5.202 7.759 ( 3.817 -0.000 2.409) 4.514 8.466 ( -11.080 0.000 -7.273) 13.253 8.726 ( -9.940 0.000 10.056) 14.139 9.370 ( -10.587 0.000 -5.069) 11.738 9.954 ( 3.349 -0.000 -6.353) 7.182 9.981 ( 4.627 -0.000 -9.287) 10.375 19.040 ( 0.059 -0.000 0.456) 0.460 19.195 ( -0.579 0.000 -1.086) 1.231 19.357 ( -0.918 0.000 2.044) 2.241 19.426 ( 0.937 -0.000 0.283) 0.979 21.550 ( 2.076 -0.000 -0.960) 2.287 21.596 ( 2.363 -0.000 1.278) 2.687 21.827 ( 1.891 -0.000 0.607) 1.986 22.040 ( 3.846 -0.000 -1.230) 4.038 24.422 ( -0.531 0.000 -0.405) 0.667 24.460 ( 0.698 -0.000 0.647) 0.952 24.487 ( 0.937 -0.000 -1.223) 1.541 24.640 ( 0.226 -0.000 -0.304) 0.378 32.552 ( 1.984 -0.000 3.044) 3.633 32.553 ( -0.949 0.000 -0.077) 0.952 32.582 ( -0.072 0.000 0.662) 0.666 32.788 ( 0.300 -0.000 -2.000) 2.023 40.365 ( 7.513 -0.000 12.088) 14.233 41.650 ( -1.482 0.000 0.150) 1.490 41.663 ( 3.477 -0.000 -6.933) 7.756 42.272 ( 0.030 -0.000 11.647) 11.647 45.364 ( 4.680 -0.000 -2.407) 5.262 45.689 ( 5.460 -0.000 -0.137) 5.462 46.062 ( -19.929 0.000 4.605) 20.454 46.929 ( -27.196 0.000 -25.271) 37.124 ======================= Grid point 198 (94/150) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 9.038 -0.000 16.180) 18.534 1.300 ( -1.541 0.000 19.299) 19.361 1.457 ( -1.843 0.000 -0.931) 2.065 1.892 ( 4.776 -0.000 -10.060) 11.136 2.358 ( -4.748 0.000 2.347) 5.296 2.534 ( 10.116 -0.000 -0.888) 10.155 2.622 ( 1.402 -0.000 11.979) 12.061 2.931 ( -6.203 0.000 -13.014) 14.417 3.123 ( -8.142 0.000 3.185) 8.742 3.375 ( -6.556 0.000 -0.048) 6.556 3.506 ( 6.636 -0.000 -2.385) 7.051 3.620 ( 4.174 -0.000 1.802) 4.546 3.859 ( 4.498 -0.000 -2.852) 5.326 3.931 ( -7.004 0.000 -0.532) 7.024 3.974 ( -5.652 0.000 -2.125) 6.038 4.092 ( -4.621 0.000 -6.174) 7.712 4.606 ( -6.888 0.000 2.922) 7.483 4.693 ( -4.382 0.000 1.056) 4.507 4.740 ( 1.360 -0.000 -2.097) 2.500 4.837 ( 13.758 -0.000 -7.354) 15.600 5.349 ( 6.976 -0.000 2.052) 7.272 5.420 ( 0.713 -0.000 -2.503) 2.602 5.830 ( 13.582 -0.000 5.020) 14.480 5.915 ( -17.908 0.000 0.493) 17.914 6.358 ( -0.202 0.000 3.493) 3.498 6.470 ( 2.226 -0.000 -3.587) 4.221 6.788 ( -8.679 0.000 1.060) 8.744 6.804 ( 5.574 -0.000 -0.251) 5.580 7.445 ( -12.574 0.000 8.974) 15.448 7.467 ( 3.581 -0.000 3.422) 4.954 7.692 ( -0.278 0.000 2.620) 2.635 7.913 ( 2.950 -0.000 -3.453) 4.541 8.725 ( -12.334 0.000 13.740) 18.464 9.340 ( 14.522 -0.000 -14.858) 20.776 9.893 ( -5.675 0.000 -4.492) 7.238 9.917 ( 5.509 -0.000 -4.323) 7.002 19.075 ( 0.451 -0.000 1.125) 1.212 19.134 ( -0.439 0.000 -1.793) 1.846 19.368 ( -1.262 0.000 1.556) 2.003 19.418 ( 0.600 -0.000 -0.907) 1.087 21.605 ( 1.811 -0.000 0.693) 1.939 21.623 ( -1.985 0.000 -0.137) 1.989 21.940 ( 0.586 -0.000 2.723) 2.786 22.042 ( -0.059 0.000 -2.330) 2.331 24.416 ( 0.255 -0.000 0.153) 0.297 24.435 ( -1.385 0.000 -0.839) 1.620 24.496 ( 0.598 -0.000 0.869) 1.055 24.522 ( -1.527 0.000 -0.360) 1.568 32.553 ( -0.327 0.000 1.442) 1.479 32.623 ( 0.741 -0.000 -1.553) 1.721 32.643 ( 0.905 -0.000 1.763) 1.982 32.718 ( -0.357 0.000 -2.341) 2.368 41.432 ( -4.094 0.000 -2.209) 4.652 41.524 ( 3.125 -0.000 -6.725) 7.415 42.389 ( -20.101 0.000 9.176) 22.097 42.697 ( 54.592 -0.000 -5.988) 54.919 45.397 ( 5.003 -0.000 0.063) 5.004 45.476 ( -7.548 0.000 -3.781) 8.442 45.943 ( 1.524 -0.000 1.951) 2.476 45.963 ( -5.592 0.000 1.005) 5.682 ======================= Grid point 199 (95/150) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 3.378 -10.350 13.501) 17.344 1.524 ( 8.650 -14.809 1.959) 17.262 1.681 ( 17.289 -14.505 1.270) 22.603 2.072 ( 13.230 -12.267 -9.241) 20.271 2.335 ( -2.619 0.161 9.904) 10.245 2.628 ( 1.842 0.253 -9.498) 9.678 2.708 ( -2.198 -3.185 -2.576) 4.649 2.847 ( 5.533 -5.737 3.743) 8.806 3.026 ( -5.230 -0.625 5.390) 7.536 3.268 ( -5.541 2.145 2.163) 6.323 3.557 ( 2.668 0.955 -5.068) 5.807 3.678 ( 4.114 2.693 -0.168) 4.920 3.860 ( -3.710 -2.887 -5.023) 6.879 3.943 ( 6.440 -8.915 3.917) 11.674 4.071 ( 7.806 -4.302 3.122) 9.444 4.137 ( 1.361 -10.328 0.007) 10.418 4.493 ( -5.838 1.881 0.677) 6.171 4.635 ( -4.207 0.815 1.099) 4.423 4.737 ( -0.384 -0.515 -1.203) 1.364 4.973 ( 13.394 4.859 -7.751) 16.220 5.377 ( -0.842 4.221 -2.138) 4.806 5.451 ( 3.045 0.749 -3.252) 4.518 5.657 ( -12.643 -4.148 3.705) 13.812 6.028 ( 7.553 1.445 3.612) 8.496 6.357 ( -0.623 -0.031 1.828) 1.931 6.502 ( 3.330 -1.663 -3.544) 5.139 6.724 ( -2.512 -1.943 2.466) 4.021 6.909 ( 5.956 -0.848 -0.071) 6.017 7.357 ( -5.412 1.058 7.605) 9.394 7.561 ( 3.502 1.073 4.343) 5.682 7.716 ( -0.718 -3.749 6.044) 7.149 7.934 ( 3.053 -0.853 -6.499) 7.231 8.658 ( -10.148 -4.057 14.207) 17.925 9.483 ( 9.080 -2.984 -12.291) 15.570 9.763 ( -4.209 1.466 -6.410) 7.807 9.975 ( 4.190 -0.559 -3.665) 5.594 19.095 ( -0.040 -0.509 0.699) 0.866 19.129 ( 0.415 -1.559 -1.237) 2.033 19.359 ( -0.899 0.334 1.700) 1.952 19.425 ( 1.277 0.416 -0.713) 1.521 21.559 ( -4.309 2.556 -0.273) 5.017 21.626 ( 0.355 0.007 0.777) 0.854 21.919 ( -1.604 4.213 2.155) 4.997 22.007 ( -0.164 1.715 -2.150) 2.756 24.413 ( -0.735 0.309 0.071) 0.801 24.420 ( 0.022 -0.024 0.317) 0.319 24.504 ( -0.758 0.128 -0.328) 0.836 24.514 ( 1.048 -0.019 1.140) 1.549 32.561 ( 0.125 -0.170 1.513) 1.528 32.624 ( 0.122 -0.297 -1.411) 1.447 32.665 ( 0.761 -0.172 1.260) 1.482 32.701 ( -0.062 -0.099 -2.473) 2.476 41.350 ( -5.416 0.475 -0.797) 5.495 41.521 ( 0.096 0.190 -5.590) 5.594 42.020 ( -21.400 7.153 -1.547) 22.617 42.942 ( 20.229 32.819 -9.280) 39.654 45.441 ( -4.154 -5.520 -3.551) 7.768 45.667 ( 12.135 -18.565 -0.143) 22.180 45.966 ( -0.533 -1.445 0.910) 1.789 46.225 ( 15.489 -23.524 -3.017) 28.326 ======================= Grid point 200 (96/150) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 2.531 -9.525 3.308) 10.396 1.799 ( 5.436 -11.656 2.333) 13.071 2.066 ( 7.195 -4.365 -5.302) 9.947 2.148 ( -5.095 2.178 -3.645) 6.633 2.387 ( 0.667 3.917 15.028) 15.544 2.669 ( 1.376 -7.685 -10.320) 12.941 2.808 ( 8.090 -10.823 -3.854) 14.051 2.965 ( 3.960 -6.914 1.611) 8.129 3.187 ( -2.295 -0.780 9.585) 9.887 3.256 ( 10.144 -10.578 -2.354) 14.844 3.613 ( 2.883 -10.381 -3.844) 11.439 3.731 ( 0.167 -5.254 0.584) 5.289 3.856 ( 5.584 2.942 -2.597) 6.825 4.166 ( 4.732 -0.628 3.724) 6.054 4.228 ( -1.170 -9.159 2.167) 9.485 4.306 ( 7.454 -3.807 6.713) 10.729 4.485 ( 5.353 -0.164 -4.025) 6.699 4.592 ( -3.402 -7.366 2.897) 8.615 4.729 ( -0.947 0.450 0.626) 1.221 4.996 ( 4.868 8.357 -6.582) 11.698 5.260 ( -4.715 0.042 -0.642) 4.759 5.435 ( 2.981 2.090 -3.040) 4.743 5.713 ( 1.718 -7.350 -0.039) 7.548 6.056 ( 2.565 5.423 0.088) 5.999 6.375 ( 0.238 -2.189 1.097) 2.460 6.578 ( 5.050 -2.984 -3.535) 6.849 6.774 ( 0.261 -4.654 3.491) 5.824 6.971 ( 3.734 2.771 -0.489) 4.676 7.301 ( -3.704 3.129 6.065) 7.765 7.543 ( -2.904 2.545 1.327) 4.083 7.775 ( -4.530 -5.023 0.571) 6.788 8.047 ( 12.466 -1.420 0.839) 12.575 8.675 ( -7.733 -6.379 16.079) 18.948 9.470 ( -8.835 0.432 4.438) 9.896 9.750 ( 9.814 -1.332 -15.974) 18.796 10.005 ( 2.424 -0.310 -6.775) 7.202 19.075 ( -1.503 0.437 -1.379) 2.086 19.185 ( 1.879 -3.129 1.059) 3.801 19.348 ( -0.635 0.876 1.660) 1.981 19.436 ( 1.255 0.590 -0.240) 1.407 21.436 ( -5.136 4.283 0.096) 6.688 21.608 ( -2.251 1.962 0.367) 3.009 21.839 ( -0.844 3.823 0.398) 3.935 21.992 ( 1.095 0.792 -0.794) 1.567 24.407 ( 0.266 0.165 0.225) 0.385 24.421 ( -0.291 -0.196 0.489) 0.602 24.488 ( -0.711 0.325 -0.474) 0.914 24.539 ( 1.230 0.121 1.392) 1.862 32.570 ( 0.205 0.401 1.016) 1.111 32.622 ( -0.230 -0.399 -0.069) 0.465 32.673 ( 0.185 0.233 -2.396) 2.414 32.702 ( 0.339 -1.175 -0.411) 1.290 41.196 ( -10.467 5.371 -4.470) 12.585 41.441 ( -8.104 -3.133 -4.420) 9.748 41.721 ( -2.749 4.203 -5.356) 7.342 42.656 ( 5.456 28.767 -2.646) 29.400 45.424 ( -1.539 -1.575 -3.586) 4.208 45.973 ( -3.871 -4.358 0.139) 5.831 46.097 ( 9.904 -16.895 4.438) 20.081 46.799 ( 20.196 -23.409 -10.496) 32.650 ======================= Grid point 201 (97/150) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 2.153 -6.765 -0.885) 7.154 1.894 ( -6.908 7.642 -2.188) 10.531 1.998 ( -0.907 -8.969 2.739) 9.422 2.119 ( 0.561 9.353 4.809) 10.532 2.409 ( 2.851 1.771 3.219) 4.651 2.715 ( -2.774 -7.659 -8.979) 12.124 2.959 ( 3.607 -4.692 3.798) 7.032 3.186 ( 2.140 -1.566 4.343) 5.089 3.240 ( 3.236 -10.599 -3.414) 11.596 3.509 ( 2.407 -9.023 -4.948) 10.569 3.734 ( 3.386 -4.892 1.869) 6.236 3.806 ( -0.985 -3.500 1.055) 3.786 4.012 ( 14.525 -3.859 -2.025) 15.165 4.210 ( 1.435 -0.291 1.366) 2.002 4.315 ( -4.554 -6.475 1.775) 8.112 4.438 ( 6.094 3.395 5.766) 9.051 4.522 ( 3.831 2.015 -2.473) 4.985 4.682 ( -1.004 1.520 2.128) 2.801 4.782 ( 2.336 -9.334 3.005) 10.081 4.870 ( -4.071 2.261 -6.617) 8.091 5.275 ( 2.190 -2.385 2.605) 4.156 5.471 ( 5.635 0.376 -1.830) 5.937 5.808 ( 0.918 -3.879 -2.557) 4.736 5.991 ( 1.051 7.410 -3.385) 8.214 6.451 ( 1.144 -6.003 3.801) 7.196 6.688 ( 6.429 -2.960 -2.259) 7.430 6.843 ( -2.278 -3.356 2.833) 4.947 6.939 ( 0.773 6.056 -2.058) 6.442 7.232 ( -1.815 4.695 4.776) 6.938 7.461 ( -4.494 0.329 -1.735) 4.828 7.762 ( -3.271 -3.461 -1.833) 5.103 8.255 ( 9.829 -2.118 0.630) 10.074 8.766 ( -3.682 -6.283 19.743) 21.043 9.353 ( -10.032 1.125 12.001) 15.682 9.834 ( 7.989 -0.836 -12.375) 14.754 9.976 ( 1.695 0.546 -13.991) 14.104 19.038 ( -1.203 0.550 -1.532) 2.024 19.260 ( 1.685 -2.751 1.387) 3.512 19.337 ( -0.534 0.801 1.460) 1.749 19.438 ( 0.461 1.147 0.182) 1.249 21.330 ( -2.512 2.432 1.254) 3.715 21.521 ( -3.007 3.450 -1.100) 4.707 21.817 ( 0.693 0.575 0.114) 0.908 21.999 ( 0.984 0.288 -0.375) 1.092 24.416 ( 0.853 0.025 0.049) 0.855 24.422 ( -0.550 -0.486 0.644) 0.976 24.470 ( -0.587 0.410 -0.544) 0.900 24.560 ( 0.899 0.166 1.299) 1.589 32.567 ( -0.010 0.645 0.244) 0.690 32.630 ( 0.267 -0.025 1.568) 1.591 32.647 ( -0.642 0.516 -3.240) 3.343 32.722 ( 0.107 -1.488 -0.943) 1.765 40.913 ( -10.012 5.377 -8.309) 14.078 41.370 ( -6.012 -5.160 -4.174) 8.955 41.692 ( 3.683 1.820 -0.640) 4.158 42.394 ( 1.728 17.309 -0.872) 17.417 45.401 ( 0.272 0.772 -3.412) 3.509 45.964 ( -3.506 -2.659 0.127) 4.402 46.408 ( 0.904 -12.296 7.183) 14.269 47.265 ( 17.992 -12.366 -12.282) 25.050 ======================= Grid point 202 (98/150) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -3.967 8.013 1.648) 9.092 1.822 ( 0.698 1.565 2.382) 2.934 1.933 ( -2.371 10.798 2.995) 11.454 2.130 ( 0.288 -3.295 6.796) 7.558 2.446 ( 1.650 0.972 1.222) 2.272 2.726 ( -3.812 -9.627 -7.767) 12.943 3.073 ( 1.519 -4.339 -3.547) 5.806 3.229 ( 1.469 -1.141 1.418) 2.339 3.353 ( -3.018 -7.179 -1.296) 7.895 3.538 ( 1.747 -0.536 -4.205) 4.585 3.752 ( -6.597 3.974 2.939) 8.243 3.926 ( 5.077 -5.325 -0.249) 7.362 4.164 ( 1.881 4.054 0.512) 4.498 4.217 ( 2.220 2.304 2.698) 4.185 4.334 ( -2.161 -3.131 -0.706) 3.870 4.430 ( 3.481 8.386 -3.919) 9.890 4.523 ( -1.718 -5.210 2.040) 5.853 4.717 ( 2.016 -1.512 5.635) 6.173 4.766 ( -2.238 1.783 -4.181) 5.066 4.894 ( -0.089 -1.546 -0.780) 1.733 5.355 ( 2.642 0.559 2.406) 3.617 5.576 ( 4.300 -5.053 2.770) 7.190 5.806 ( -2.022 0.803 -2.793) 3.541 5.848 ( -1.224 9.595 -6.530) 11.670 6.587 ( 0.435 -6.810 6.956) 9.744 6.751 ( -5.936 1.652 2.818) 6.775 6.808 ( -1.234 5.265 -2.837) 6.107 6.858 ( 4.667 2.344 -1.578) 5.456 7.214 ( 2.151 0.876 3.114) 3.885 7.398 ( -3.709 -1.864 -2.084) 4.644 7.750 ( -1.949 -1.890 -1.592) 3.147 8.383 ( 3.102 -3.731 -3.877) 6.211 8.951 ( 2.615 -6.198 19.931) 21.036 9.276 ( -8.293 0.899 15.461) 17.568 9.831 ( 0.445 2.377 -8.527) 8.863 9.935 ( 5.987 0.121 -19.636) 20.529 19.014 ( -0.250 0.196 -1.146) 1.189 19.310 ( 0.213 -0.236 1.126) 1.170 19.333 ( 0.400 -0.500 0.946) 1.142 19.425 ( -0.288 1.090 0.683) 1.318 21.326 ( 1.456 -1.430 2.240) 3.030 21.447 ( -0.920 1.197 -2.505) 2.925 21.823 ( 0.034 -0.198 0.014) 0.201 22.005 ( 0.307 0.147 -0.338) 0.479 24.423 ( -0.704 -0.710 0.223) 1.025 24.431 ( 0.840 -0.064 0.279) 0.888 24.457 ( -0.096 0.315 -0.565) 0.654 24.575 ( 0.344 -0.196 0.938) 1.018 32.559 ( -0.148 0.575 0.240) 0.640 32.610 ( -1.060 0.662 -1.966) 2.330 32.646 ( 0.776 0.476 1.875) 2.084 32.730 ( -0.329 -1.159 -1.954) 2.296 40.693 ( -5.737 5.373 -3.947) 8.795 41.347 ( -2.761 -5.358 -4.898) 7.767 41.739 ( 3.087 0.260 1.428) 3.411 42.251 ( 0.797 6.910 -0.086) 6.956 45.377 ( 1.254 1.895 -2.784) 3.594 45.943 ( -3.570 -2.062 0.914) 4.222 46.508 ( -6.775 -3.563 7.706) 10.862 47.509 ( 14.091 1.338 -15.164) 20.744 ======================= Grid point 203 (99/150) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -5.745 9.856 6.141) 12.956 1.695 ( 0.325 20.760 15.120) 25.684 1.893 ( 4.200 0.380 -2.333) 4.819 2.197 ( -0.232 -1.321 2.325) 2.684 2.441 ( -1.500 0.937 2.336) 2.930 2.766 ( -3.348 -10.868 -8.298) 14.078 3.098 ( 0.188 -2.986 -4.636) 5.517 3.161 ( -8.231 10.763 0.768) 13.571 3.358 ( -2.368 2.292 -6.792) 7.549 3.487 ( -5.709 5.191 1.782) 7.919 3.624 ( -6.097 -7.611 2.940) 10.186 3.955 ( -2.455 0.333 -3.441) 4.240 4.123 ( -0.138 4.938 3.917) 6.305 4.201 ( -1.174 12.645 -7.992) 15.005 4.227 ( 5.964 5.245 5.353) 9.578 4.448 ( -7.127 -9.322 -1.560) 11.837 4.605 ( 1.035 -4.147 4.024) 5.871 4.698 ( -1.570 1.814 -2.931) 3.788 4.742 ( -3.357 1.095 0.442) 3.559 4.835 ( 2.766 8.886 -0.616) 9.327 5.345 ( -0.896 2.303 -0.013) 2.471 5.617 ( -2.159 12.564 -8.469) 15.305 5.739 ( -1.693 -5.601 4.997) 7.694 5.760 ( 1.921 -0.467 0.861) 2.156 6.552 ( -10.633 2.120 5.081) 11.974 6.659 ( -1.545 7.861 -5.662) 9.810 6.758 ( 1.098 -4.371 6.050) 7.544 6.901 ( 4.288 4.911 0.985) 6.594 7.305 ( 3.479 -5.073 1.131) 6.254 7.382 ( -0.851 -2.311 0.391) 2.494 7.733 ( -2.137 -1.247 -0.660) 2.561 8.405 ( -2.745 -3.170 -6.254) 7.530 9.100 ( -5.817 0.564 15.982) 17.017 9.296 ( 1.807 -2.788 9.168) 9.751 9.770 ( 2.230 0.200 -8.468) 8.759 9.899 ( 4.692 3.274 -15.688) 16.698 19.014 ( 0.765 -0.261 -0.471) 0.936 19.287 ( -1.101 2.178 0.320) 2.461 19.360 ( 0.651 -0.762 0.355) 1.063 19.419 ( -0.274 -0.192 1.237) 1.282 21.412 ( 3.053 -2.915 -0.440) 4.244 21.450 ( 2.428 -2.986 -0.237) 3.856 21.820 ( -0.839 -0.507 -0.066) 0.983 22.002 ( -0.251 -0.151 -0.554) 0.627 24.420 ( -0.764 -0.464 -0.146) 0.906 24.444 ( 0.140 -0.450 0.537) 0.715 24.456 ( 0.896 0.102 -0.774) 1.188 24.586 ( -0.395 -0.915 0.285) 1.036 32.551 ( -0.239 0.327 0.686) 0.797 32.583 ( -0.655 0.484 -0.334) 0.880 32.658 ( 0.824 1.255 1.922) 2.439 32.725 ( -0.354 -0.966 -2.489) 2.694 40.576 ( 0.988 5.706 5.835) 8.221 41.375 ( 0.080 -5.522 -4.603) 7.189 41.759 ( 0.480 1.664 -1.404) 2.230 42.248 ( 0.615 -3.311 4.012) 5.238 45.361 ( 1.957 2.395 -1.693) 3.526 45.924 ( -2.930 -1.423 1.990) 3.817 46.390 ( -12.672 4.506 6.575) 14.971 47.464 ( 7.981 17.101 -20.513) 27.873 ======================= Grid point 204 (100/150) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -7.448 13.955 10.429) 18.947 1.536 ( 2.194 20.255 17.552) 26.892 1.942 ( 3.533 3.781 0.094) 5.176 2.156 ( -2.996 4.871 -2.072) 6.082 2.408 ( -3.156 -0.147 1.129) 3.355 2.690 ( -16.208 19.150 8.062) 26.352 2.828 ( -3.531 -0.975 -3.902) 5.352 3.092 ( -9.957 8.087 -8.273) 15.264 3.154 ( 4.072 -3.109 -2.467) 5.686 3.436 ( -5.652 -5.347 -3.260) 8.436 3.678 ( -4.901 -4.955 2.213) 7.313 3.849 ( -7.094 4.694 -4.100) 9.443 3.925 ( -3.866 10.920 -10.891) 15.901 4.120 ( 2.667 -0.416 3.217) 4.200 4.270 ( 0.844 6.296 7.158) 9.571 4.342 ( -6.873 2.605 -2.846) 7.881 4.602 ( -4.416 -1.455 -5.168) 6.951 4.689 ( -0.476 0.052 2.182) 2.234 4.706 ( 3.304 2.249 0.076) 3.997 4.777 ( -0.307 2.284 2.259) 3.228 5.322 ( -0.783 -1.715 0.747) 2.028 5.391 ( -0.432 10.918 -7.117) 13.040 5.686 ( 1.009 5.590 -0.140) 5.683 5.921 ( 0.588 -9.080 5.787) 10.783 6.419 ( -7.568 0.976 4.688) 8.955 6.527 ( 0.318 5.173 -5.974) 7.909 6.805 ( -0.841 1.931 2.121) 2.989 6.914 ( 2.468 1.587 3.841) 4.833 7.373 ( -1.717 -4.273 0.101) 4.606 7.485 ( 6.184 -2.935 3.187) 7.550 7.714 ( -4.515 -3.362 0.873) 5.697 8.290 ( -9.626 1.857 -9.387) 13.573 9.010 ( -11.386 3.605 15.786) 19.795 9.324 ( 3.427 5.774 -9.532) 11.659 9.837 ( 5.766 -1.554 -5.512) 8.126 9.859 ( 4.477 0.087 -5.570) 7.147 19.035 ( 1.263 -0.472 0.298) 1.381 19.232 ( -1.163 3.197 -0.726) 3.478 19.376 ( -0.385 -0.995 0.678) 1.264 19.424 ( -0.399 -0.191 0.269) 0.517 21.476 ( 3.087 -2.974 -2.136) 4.789 21.569 ( 3.500 -3.649 2.053) 5.457 21.824 ( -0.359 -2.125 0.680) 2.260 22.002 ( 0.031 -1.238 -1.146) 1.688 24.414 ( -0.396 -0.210 -0.224) 0.501 24.452 ( -0.218 -0.762 -0.379) 0.879 24.469 ( 0.999 -0.036 -0.081) 1.003 24.585 ( -1.651 -1.267 -0.781) 2.223 32.559 ( 0.556 -0.137 1.089) 1.231 32.572 ( -0.404 0.057 1.109) 1.181 32.654 ( 0.379 1.879 0.912) 2.122 32.725 ( 0.252 -1.052 -2.108) 2.370 40.740 ( 20.368 -1.232 19.304) 28.090 41.434 ( 1.817 -4.614 -3.871) 6.291 41.698 ( -2.079 2.581 -4.142) 5.305 42.373 ( -1.844 -9.910 9.112) 13.588 45.356 ( 2.785 2.838 -0.616) 4.023 45.916 ( -1.778 -0.852 2.760) 3.392 46.107 ( -14.946 9.797 3.089) 18.136 47.064 ( -2.490 32.125 -23.041) 39.612 ======================= Grid point 205 (101/150) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -4.486 17.133 14.316) 22.773 1.382 ( -2.281 17.692 15.835) 23.853 1.709 ( -16.331 16.775 7.400) 24.553 1.979 ( -2.772 5.484 -7.358) 9.587 2.391 ( -0.405 -1.072 0.350) 1.198 2.467 ( 4.363 5.715 3.501) 7.997 2.639 ( -7.149 12.879 11.271) 18.548 2.987 ( -3.454 -10.574 -12.875) 17.015 3.219 ( 0.957 0.719 -2.217) 2.519 3.414 ( -7.421 -7.828 0.612) 10.804 3.518 ( -2.695 6.806 -10.736) 12.994 3.669 ( -5.621 2.894 -2.321) 6.734 3.806 ( 0.333 1.150 -0.353) 1.248 4.093 ( -8.706 5.425 2.537) 10.567 4.137 ( -3.330 5.078 -2.117) 6.431 4.243 ( -4.578 3.522 -3.957) 7.002 4.619 ( 2.829 -5.040 -3.056) 6.538 4.686 ( 3.238 1.749 -0.949) 3.801 4.711 ( 3.744 0.377 -2.068) 4.294 4.772 ( -6.805 -2.855 3.814) 8.307 5.275 ( 4.625 6.160 0.897) 7.755 5.389 ( 0.935 -4.833 -0.755) 4.980 5.666 ( 8.742 6.370 1.287) 10.893 6.041 ( -5.073 -7.939 2.315) 9.702 6.348 ( -3.500 0.406 4.769) 5.929 6.472 ( 1.838 1.768 -4.824) 5.456 6.770 ( 1.834 3.325 -0.007) 3.797 6.911 ( -4.670 0.506 1.383) 4.897 7.407 ( -0.446 -2.803 2.221) 3.604 7.595 ( -0.139 1.809 6.150) 6.412 7.685 ( -10.339 -9.065 -0.100) 13.751 7.993 ( -5.943 11.110 -6.294) 14.085 8.863 ( -12.895 2.932 14.685) 19.762 9.262 ( 10.205 6.276 -13.016) 17.690 9.864 ( 6.077 0.899 -6.973) 9.293 9.940 ( -0.030 -2.989 -2.283) 3.762 19.061 ( 0.914 -0.224 0.872) 1.283 19.169 ( -1.033 2.450 -1.610) 3.108 19.379 ( -1.181 -0.293 1.324) 1.798 19.417 ( -0.311 -0.349 -0.830) 0.952 21.555 ( 3.268 -1.814 -0.224) 3.744 21.631 ( 0.128 -0.908 0.598) 1.095 21.883 ( 1.404 -3.273 2.581) 4.398 22.027 ( 0.923 -2.273 -2.012) 3.173 24.412 ( 0.045 -0.090 -0.077) 0.126 24.452 ( -0.550 -0.614 -1.197) 1.454 24.484 ( 0.623 -0.116 0.541) 0.833 24.558 ( -2.704 -0.464 -1.065) 2.943 32.556 ( -0.567 0.469 1.157) 1.371 32.601 ( 1.363 -1.108 0.881) 1.965 32.638 ( 0.363 1.507 0.343) 1.587 32.729 ( 0.129 -0.585 -2.156) 2.238 41.384 ( 20.236 -6.865 3.487) 21.651 41.525 ( 7.767 0.473 -4.084) 8.788 41.713 ( 23.857 -11.192 11.104) 28.596 42.488 ( -9.209 -8.836 12.154) 17.624 45.363 ( 3.301 2.543 -0.310) 4.178 45.758 ( -11.208 12.382 -2.835) 16.940 45.923 ( -0.734 -0.790 2.802) 3.002 46.383 ( -13.771 31.492 -12.638) 36.621 ======================= Grid point 207 (102/150) ======================= q-point: ( 0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 12.410 -0.000 -0.561) 12.422 1.636 ( 14.936 -0.000 -0.577) 14.948 1.923 ( 24.344 -0.000 2.586) 24.481 2.141 ( 10.778 -0.000 -8.177) 13.528 2.339 ( -2.677 0.000 7.204) 7.685 2.637 ( 8.656 -0.000 -11.347) 14.271 2.698 ( 3.939 -0.000 1.417) 4.186 2.950 ( 8.772 -0.000 6.258) 10.775 3.008 ( -0.079 0.000 12.714) 12.714 3.244 ( -1.192 0.000 3.057) 3.281 3.472 ( -5.306 0.000 -10.745) 11.984 3.634 ( -2.950 0.000 -5.082) 5.876 3.865 ( 3.609 -0.000 -0.248) 3.617 4.083 ( 11.542 -0.000 10.269) 15.448 4.088 ( 0.644 -0.000 2.555) 2.635 4.247 ( 12.659 -0.000 3.224) 13.063 4.481 ( 1.405 -0.000 3.037) 3.346 4.583 ( -5.258 0.000 1.012) 5.354 4.681 ( -2.804 0.000 -2.596) 3.821 5.161 ( 11.233 -0.000 -7.004) 13.238 5.314 ( -13.144 0.000 -3.154) 13.518 5.470 ( 1.716 -0.000 -2.817) 3.298 5.538 ( 6.677 -0.000 -2.143) 7.012 6.171 ( 4.782 -0.000 3.025) 5.659 6.340 ( -1.387 0.000 0.516) 1.480 6.538 ( 5.156 -0.000 -2.664) 5.803 6.689 ( -1.426 0.000 0.807) 1.638 6.999 ( 5.346 -0.000 1.085) 5.455 7.346 ( -2.599 0.000 6.752) 7.235 7.616 ( -4.124 0.000 2.679) 4.918 7.659 ( -4.419 0.000 4.263) 6.140 8.038 ( 14.999 -0.000 -1.543) 15.079 8.585 ( -6.169 0.000 15.060) 16.275 9.473 ( -4.392 0.000 -0.728) 4.452 9.736 ( 8.607 -0.000 -15.821) 18.011 10.001 ( 1.883 -0.000 -2.667) 3.265 19.104 ( -0.240 0.000 -1.821) 1.837 19.117 ( 1.472 -0.000 1.568) 2.150 19.363 ( -0.506 0.000 2.082) 2.142 19.441 ( 1.116 -0.000 -0.964) 1.475 21.514 ( -4.309 0.000 -0.320) 4.321 21.620 ( -1.297 0.000 0.864) 1.559 21.925 ( -3.503 0.000 2.432) 4.265 21.971 ( -2.639 0.000 -2.778) 3.832 24.410 ( 0.075 -0.000 0.238) 0.249 24.418 ( -0.547 0.000 0.539) 0.768 24.493 ( -0.698 0.000 -0.418) 0.814 24.542 ( 1.404 -0.000 1.706) 2.210 32.578 ( 1.022 -0.000 1.632) 1.926 32.615 ( -0.053 0.000 -1.244) 1.245 32.675 ( -0.001 0.000 0.857) 0.857 32.683 ( -0.193 0.000 -3.014) 3.020 41.280 ( -4.828 0.000 1.602) 5.086 41.391 ( -14.463 0.000 -9.511) 17.310 41.790 ( -7.920 0.000 -5.190) 9.470 43.202 ( -3.075 0.000 -16.332) 16.619 45.276 ( -5.765 0.000 -1.504) 5.958 45.571 ( -0.799 0.000 2.076) 2.224 46.199 ( 13.677 -0.000 5.089) 14.593 46.435 ( 36.248 -0.000 -7.684) 37.054 ======================= Grid point 208 (103/150) ======================= q-point: ( 0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 8.765 0.263 -4.060) 9.664 1.792 ( 5.633 -4.898 -7.032) 10.255 2.107 ( -0.421 8.307 -4.477) 9.446 2.260 ( 16.974 3.076 -0.183) 17.251 2.455 ( 1.318 -10.481 6.141) 12.219 2.700 ( 9.999 13.438 4.260) 17.283 2.900 ( 15.583 -4.533 -2.447) 16.412 3.024 ( 7.378 3.143 4.043) 8.981 3.208 ( 2.147 -3.384 -2.770) 4.872 3.262 ( 0.846 -3.774 6.231) 7.334 3.485 ( 6.660 -10.769 3.309) 13.088 3.631 ( -1.085 -6.148 -0.528) 6.265 3.965 ( 6.704 -5.421 -1.949) 8.840 4.109 ( 0.224 -1.682 1.596) 2.329 4.260 ( 1.723 -1.082 2.770) 3.437 4.435 ( 3.707 -0.098 4.552) 5.872 4.492 ( -0.449 -1.227 2.361) 2.699 4.571 ( 5.684 -0.925 2.847) 6.424 4.688 ( 1.724 -4.992 -1.738) 5.560 5.087 ( -6.307 7.514 -3.288) 10.347 5.240 ( 5.797 1.460 -3.203) 6.782 5.516 ( 7.635 1.810 -5.619) 9.651 5.684 ( 7.260 -5.479 -2.381) 9.402 6.169 ( 1.375 6.121 -0.905) 6.338 6.345 ( -0.587 -2.397 -0.244) 2.480 6.627 ( 6.715 -1.328 -1.730) 7.061 6.704 ( -1.751 -5.094 1.279) 5.537 7.052 ( 2.836 2.204 -1.006) 3.730 7.331 ( -2.731 2.198 6.690) 7.552 7.497 ( -6.968 1.897 -1.233) 7.327 7.644 ( -4.352 -3.851 1.784) 6.079 8.266 ( 11.909 1.159 1.753) 12.093 8.653 ( 1.589 -2.306 19.657) 19.855 9.379 ( -8.758 0.646 8.242) 12.044 9.816 ( 12.682 -0.294 -18.485) 22.419 9.994 ( 0.254 0.439 -5.543) 5.566 19.074 ( -0.038 1.994 -1.402) 2.438 19.177 ( 1.906 -3.039 1.289) 3.812 19.360 ( -0.736 0.723 1.913) 2.174 19.449 ( 0.453 -0.105 -0.813) 0.937 21.426 ( -3.581 3.604 0.534) 5.109 21.594 ( -2.497 0.926 0.137) 2.667 21.840 ( -4.186 2.375 0.526) 4.842 21.949 ( -3.081 -3.678 -1.112) 4.925 24.411 ( -0.846 -0.223 0.645) 1.087 24.417 ( 0.663 0.009 0.229) 0.701 24.478 ( -0.810 0.144 -0.468) 0.946 24.569 ( 1.042 0.296 1.761) 2.068 32.592 ( 0.589 1.189 0.047) 1.327 32.621 ( 0.844 -0.778 0.496) 1.251 32.658 ( -0.706 0.335 -2.573) 2.689 32.683 ( -0.398 -1.169 -0.319) 1.276 41.044 ( -13.311 3.851 -12.844) 18.894 41.252 ( -5.413 -3.345 1.205) 6.476 41.728 ( 0.934 0.835 -2.905) 3.164 42.893 ( -8.500 15.507 -10.403) 20.517 45.251 ( -7.045 -9.707 -2.395) 12.231 45.609 ( -7.032 -10.899 2.608) 13.230 46.437 ( 18.476 5.174 7.317) 20.534 47.004 ( 36.691 -6.415 -12.357) 39.244 ======================= Grid point 209 (104/150) ======================= q-point: ( 0.38 0.12 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 3.514 -3.136 -6.179) 7.769 1.887 ( 2.100 -6.779 -7.536) 10.352 1.985 ( 3.606 10.587 2.285) 11.415 2.402 ( 12.132 6.387 2.517) 13.939 2.572 ( 2.424 2.691 -1.291) 3.845 2.671 ( 8.592 17.070 9.900) 21.523 3.023 ( 2.858 2.537 3.274) 5.032 3.097 ( -0.056 -8.582 -5.552) 10.221 3.256 ( 2.744 1.524 4.787) 5.724 3.455 ( 6.853 -7.174 -0.772) 9.951 3.708 ( -0.760 -6.828 0.378) 6.881 3.762 ( 6.356 -6.587 6.462) 11.205 4.124 ( 0.159 -4.705 -5.012) 6.876 4.177 ( 5.056 -2.902 -1.984) 6.158 4.247 ( 3.393 0.235 -1.041) 3.557 4.412 ( -7.011 -4.270 4.689) 9.454 4.633 ( 6.957 -2.551 4.791) 8.824 4.669 ( -1.875 -3.544 0.722) 4.074 4.786 ( 0.801 -2.324 -3.316) 4.128 4.940 ( 9.959 11.618 -0.246) 15.305 5.307 ( 4.164 -1.700 2.403) 5.099 5.571 ( 7.507 2.944 -6.279) 10.220 5.811 ( 4.973 -0.639 -2.534) 5.618 6.077 ( -0.070 7.182 -4.990) 8.746 6.402 ( 0.695 -6.040 3.068) 6.810 6.709 ( -2.049 -3.596 0.984) 4.254 6.782 ( 4.128 -3.698 -0.203) 5.546 7.012 ( 0.883 5.452 -3.578) 6.581 7.268 ( -5.061 2.622 3.913) 6.914 7.392 ( -3.704 0.563 0.065) 3.747 7.653 ( -1.905 -3.749 0.120) 4.207 8.353 ( 1.958 0.538 0.697) 2.147 8.875 ( 8.698 -0.520 21.735) 23.417 9.303 ( -7.613 0.897 13.329) 15.376 9.892 ( 6.258 1.894 -10.407) 12.290 9.945 ( 4.811 0.805 -16.360) 17.071 19.044 ( 0.607 1.984 -1.228) 2.411 19.255 ( 1.900 -3.075 1.236) 3.820 19.344 ( -0.994 0.855 1.356) 1.886 19.444 ( -0.694 0.159 -0.517) 0.880 21.349 ( -0.952 2.872 1.766) 3.503 21.516 ( -2.826 3.372 -1.465) 4.637 21.784 ( -3.469 -1.946 0.335) 3.992 21.948 ( -3.560 -4.257 -0.739) 5.598 24.405 ( -1.029 -0.524 0.712) 1.357 24.431 ( 0.901 0.005 0.052) 0.902 24.462 ( -0.671 0.105 -0.424) 0.800 24.581 ( 0.297 0.480 1.229) 1.353 32.580 ( 0.205 1.008 -0.458) 1.126 32.622 ( -0.990 0.270 -2.645) 2.838 32.654 ( 1.124 0.109 2.289) 2.552 32.691 ( -0.362 -1.626 -1.413) 2.185 40.803 ( -4.709 2.571 -10.105) 11.441 41.231 ( -3.928 -2.887 1.684) 5.157 41.734 ( 1.310 -0.303 -0.783) 1.556 42.535 ( -7.031 12.777 -6.931) 16.147 45.261 ( -6.897 -9.771 -3.189) 12.378 45.651 ( -10.565 -13.185 2.842) 17.133 46.653 ( 15.667 9.598 9.423) 20.649 47.506 ( 31.838 -1.655 -15.083) 35.269 ======================= Grid point 210 (105/150) ======================= q-point: (-0.50 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 2.619 2.648 -0.878) 3.826 1.932 ( 5.169 3.115 -1.503) 6.220 2.019 ( 6.827 -0.051 -0.075) 6.828 2.437 ( 8.873 23.012 12.071) 27.459 2.536 ( 3.567 -0.934 -4.398) 5.739 2.627 ( 3.778 8.724 1.176) 9.579 3.019 ( -0.492 -0.969 -1.869) 2.161 3.240 ( 1.940 -7.872 3.899) 8.996 3.286 ( 2.311 0.982 0.822) 2.642 3.515 ( -1.631 0.630 -1.675) 2.421 3.735 ( -3.143 3.255 2.827) 5.335 3.911 ( 1.607 -2.053 -0.952) 2.775 4.061 ( -10.928 -11.366 -4.532) 16.406 4.237 ( 2.800 2.736 -1.014) 4.044 4.325 ( 4.009 2.910 1.237) 5.106 4.461 ( 0.374 -5.546 0.738) 5.608 4.558 ( -3.000 4.994 -1.930) 6.137 4.742 ( 1.012 0.666 1.166) 1.682 4.776 ( 1.303 1.960 -0.165) 2.359 5.039 ( 13.287 7.895 1.105) 15.495 5.423 ( 3.395 -0.808 5.007) 6.103 5.585 ( 2.965 0.387 -5.459) 6.225 5.833 ( 2.273 3.513 -1.478) 4.438 5.919 ( -1.504 9.201 -7.443) 11.929 6.528 ( -1.280 -5.931 6.279) 8.732 6.667 ( -6.112 -1.187 2.169) 6.593 6.843 ( -0.302 3.240 -2.751) 4.261 6.963 ( 4.809 2.131 -1.481) 5.465 7.197 ( -3.291 -2.065 -0.200) 3.890 7.360 ( -1.978 -0.102 3.481) 4.005 7.677 ( -0.083 -1.940 -0.651) 2.048 8.351 ( -1.925 -0.769 -1.261) 2.427 9.122 ( 7.015 0.987 19.625) 20.864 9.273 ( -3.307 0.327 14.422) 14.799 9.812 ( -0.245 3.164 -11.045) 11.492 9.974 ( 9.775 2.427 -17.105) 19.850 19.032 ( 1.675 1.561 -0.760) 2.412 19.310 ( -0.080 -0.617 0.836) 1.042 19.337 ( 0.565 -0.847 0.719) 1.247 19.419 ( -1.740 0.222 -0.088) 1.756 21.356 ( 2.510 -0.508 2.279) 3.428 21.438 ( -0.909 1.663 -2.593) 3.212 21.768 ( -3.941 -3.281 0.166) 5.130 21.942 ( -4.276 -4.321 -0.700) 6.120 24.402 ( -0.976 -0.718 0.598) 1.351 24.438 ( -0.217 -0.098 -0.187) 0.303 24.458 ( 0.604 -0.007 -0.208) 0.639 24.580 ( -0.405 0.293 0.496) 0.705 32.566 ( -0.294 0.696 -0.209) 0.784 32.595 ( -0.391 0.451 -1.004) 1.168 32.678 ( 0.939 0.509 2.398) 2.625 32.697 ( -0.215 -1.320 -2.226) 2.597 40.711 ( 1.707 3.673 -1.613) 4.360 41.237 ( -1.782 -4.000 1.029) 4.498 41.758 ( 0.358 -1.294 -0.532) 1.444 42.288 ( -5.310 5.775 -5.173) 9.397 45.270 ( -5.459 -8.656 -2.843) 10.621 45.669 ( -11.655 -12.750 2.879) 17.513 46.728 ( 9.665 16.558 10.902) 22.055 47.808 ( 25.481 8.071 -19.449) 33.056 ======================= Grid point 211 (106/150) ======================= q-point: (-0.38 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 4.751 13.938 9.269) 17.400 1.987 ( 6.033 1.253 -3.415) 7.045 2.056 ( 6.152 11.446 3.947) 13.580 2.349 ( 5.605 13.145 8.772) 16.767 2.557 ( 5.101 11.588 -0.152) 12.662 2.604 ( 3.220 -5.142 -7.655) 9.767 3.004 ( -2.940 0.326 1.967) 3.552 3.292 ( 3.760 5.165 -1.859) 6.653 3.390 ( 1.189 1.190 4.083) 4.416 3.437 ( -2.206 -2.286 -4.234) 5.293 3.502 ( -10.904 13.797 4.761) 18.219 3.874 ( -6.550 -1.642 -1.763) 6.979 4.072 ( -6.716 -9.881 -3.350) 12.408 4.167 ( -7.167 5.494 -4.359) 10.028 4.270 ( -0.698 5.549 -3.029) 6.360 4.433 ( 2.374 -0.357 3.982) 4.650 4.621 ( 1.310 0.474 0.085) 1.396 4.678 ( -0.620 4.771 -1.044) 4.923 4.776 ( 2.344 3.167 2.506) 4.670 5.058 ( 6.256 12.171 -0.862) 13.712 5.388 ( -0.182 6.697 -3.630) 7.620 5.663 ( 0.064 -0.914 0.277) 0.957 5.679 ( -3.330 4.219 -4.703) 7.142 5.850 ( 4.104 4.503 0.902) 6.159 6.468 ( -7.777 2.598 5.607) 9.934 6.693 ( -1.663 0.895 -1.209) 2.242 6.743 ( 0.056 1.128 0.630) 1.293 6.985 ( 0.138 0.950 -1.375) 1.677 7.250 ( 2.048 -4.918 0.777) 5.384 7.375 ( -1.945 -3.949 5.054) 6.702 7.688 ( 1.054 1.191 0.367) 1.632 8.299 ( -4.492 -0.490 -4.271) 6.218 9.137 ( -8.446 5.127 18.445) 20.925 9.428 ( 10.443 1.111 5.000) 11.631 9.743 ( 1.346 -1.334 -8.571) 8.778 9.966 ( 7.699 5.224 -14.996) 17.648 19.045 ( 2.582 1.159 -0.093) 2.831 19.295 ( -0.973 1.293 0.128) 1.624 19.355 ( -0.509 -0.489 -0.271) 0.756 19.404 ( -1.066 -1.232 0.657) 1.757 21.417 ( 2.456 -1.082 -2.633) 3.760 21.464 ( 4.333 -3.472 2.309) 6.013 21.749 ( -4.494 -3.673 -0.096) 5.805 21.927 ( -4.696 -4.518 -0.908) 6.579 24.402 ( -0.633 -0.719 0.291) 1.001 24.432 ( -0.803 -0.508 -0.074) 0.952 24.470 ( 1.054 0.068 -0.172) 1.070 24.568 ( -1.051 -0.056 -0.148) 1.063 32.559 ( 0.268 0.190 0.853) 0.914 32.584 ( -0.051 0.648 0.204) 0.681 32.689 ( 0.031 0.672 0.347) 0.757 32.699 ( 0.393 -0.717 -0.912) 1.224 40.762 ( 9.677 2.254 8.743) 13.235 41.298 ( 0.688 -5.274 1.350) 5.488 41.746 ( -1.690 0.484 -4.299) 4.645 42.176 ( -4.902 -3.217 -1.507) 6.054 45.302 ( -2.353 -7.226 -1.744) 7.797 45.667 ( -11.964 -11.804 2.442) 16.984 46.630 ( 4.625 23.548 11.870) 26.773 47.817 ( 16.940 21.624 -26.211) 37.968 ======================= Grid point 212 (107/150) ======================= q-point: (-0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 7.403 21.841 10.807) 25.468 1.909 ( 0.174 16.406 11.050) 19.781 2.064 ( 3.083 7.258 -0.166) 7.888 2.301 ( 5.784 12.086 -1.659) 13.501 2.464 ( -0.213 8.447 -0.638) 8.473 2.697 ( 3.850 -5.778 -7.349) 10.110 2.870 ( -1.490 19.668 4.752) 20.288 3.092 ( -7.166 12.449 4.225) 14.973 3.265 ( -5.988 2.163 -1.222) 6.483 3.302 ( 2.709 11.041 -0.712) 11.390 3.526 ( -3.217 -5.791 -1.107) 6.716 3.749 ( -10.353 1.393 1.431) 10.544 3.913 ( -4.555 5.124 -8.944) 11.270 4.130 ( 0.670 -9.383 -3.417) 10.008 4.201 ( -2.739 3.244 3.122) 5.270 4.465 ( 1.683 8.873 -0.152) 9.032 4.509 ( -3.800 2.127 -2.611) 5.077 4.649 ( -2.814 -1.231 2.499) 3.960 4.785 ( 2.439 5.088 1.489) 5.836 4.928 ( 1.721 12.184 -4.001) 12.939 5.312 ( 0.492 0.985 -1.548) 1.899 5.480 ( 0.068 7.736 -7.033) 10.455 5.745 ( -2.049 -2.559 7.148) 7.864 5.887 ( 4.313 0.173 -0.455) 4.341 6.382 ( -3.715 2.163 5.673) 7.117 6.582 ( 0.791 6.305 -5.212) 8.218 6.775 ( -2.913 -2.604 3.387) 5.171 6.952 ( -1.077 1.064 -2.990) 3.351 7.325 ( -0.425 -2.535 4.920) 5.551 7.463 ( -1.581 -8.100 2.782) 8.709 7.687 ( 2.841 4.571 3.543) 6.443 8.174 ( -6.152 2.787 -6.931) 9.677 9.003 ( -11.225 6.869 17.335) 21.765 9.491 ( 10.127 8.597 -10.698) 17.057 9.802 ( -0.110 -6.595 -1.068) 6.682 9.933 ( 6.874 4.631 -11.394) 14.090 19.073 ( 2.738 1.141 0.648) 3.036 19.243 ( -1.962 2.530 -1.392) 3.491 19.359 ( -0.231 -1.141 0.627) 1.322 19.403 ( -1.403 -0.812 -0.098) 1.624 21.486 ( 4.631 -2.739 -1.182) 5.508 21.581 ( 1.660 -2.811 1.696) 3.679 21.753 ( -1.827 -5.713 0.915) 6.067 21.920 ( -3.570 -5.513 -1.682) 6.780 24.405 ( -0.051 -0.533 0.016) 0.536 24.427 ( -1.080 -0.884 -0.044) 1.396 24.484 ( 0.941 0.113 0.083) 0.951 24.548 ( -1.572 -0.119 -0.535) 1.665 32.573 ( -0.596 0.329 1.203) 1.382 32.584 ( 1.916 0.112 1.004) 2.166 32.673 ( -0.342 1.038 -0.328) 1.141 32.710 ( 0.331 -0.631 -0.972) 1.205 41.105 ( 22.203 -9.454 12.868) 27.349 41.409 ( 3.642 -5.817 6.007) 9.120 41.652 ( -3.159 2.352 -7.838) 8.772 42.184 ( -7.755 -10.704 1.548) 13.308 45.376 ( 2.837 -4.702 -0.419) 5.507 45.643 ( -11.514 -9.684 1.011) 15.079 46.405 ( 2.345 27.000 11.687) 29.514 47.447 ( 5.978 37.645 -30.830) 49.025 ======================= Grid point 213 (108/150) ======================= q-point: (-0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 11.848 22.806 10.604) 27.801 1.667 ( -9.109 24.791 15.772) 30.763 1.838 ( -3.924 19.483 -1.194) 19.910 2.154 ( 9.504 19.174 -7.359) 22.630 2.360 ( -3.911 1.480 1.864) 4.578 2.695 ( -1.180 0.416 -7.324) 7.430 2.793 ( 2.464 10.075 4.875) 11.460 2.843 ( 5.483 14.529 5.083) 16.340 3.133 ( -11.702 -4.030 -3.792) 12.944 3.276 ( 0.764 -1.550 -1.928) 2.590 3.539 ( 4.843 0.535 -1.355) 5.057 3.591 ( -6.480 0.963 2.348) 6.959 3.849 ( 3.875 1.907 -0.289) 4.328 4.103 ( -2.425 5.693 2.496) 6.672 4.138 ( -4.762 7.158 -6.826) 10.978 4.303 ( -0.108 12.332 -2.790) 12.644 4.570 ( 1.541 -7.394 0.614) 7.578 4.598 ( -3.689 -2.492 0.342) 4.465 4.728 ( -1.991 2.210 -0.018) 2.975 4.843 ( 6.413 4.570 -5.149) 9.409 5.340 ( 0.493 -2.202 0.437) 2.298 5.419 ( 3.980 2.202 -3.581) 5.789 5.768 ( -5.277 -2.754 7.682) 9.719 5.940 ( 3.790 0.746 -1.377) 4.101 6.351 ( -1.010 1.171 4.404) 4.668 6.517 ( 2.607 3.892 -4.681) 6.622 6.769 ( -3.231 -0.892 3.170) 4.613 6.892 ( 0.108 2.825 -3.478) 4.481 7.368 ( -4.021 -3.025 8.363) 9.760 7.513 ( -1.157 -1.874 0.807) 2.346 7.706 ( 3.517 4.121 6.442) 8.417 8.005 ( -3.075 4.253 -6.859) 8.637 8.822 ( -12.034 6.797 15.515) 20.778 9.466 ( 11.536 8.153 -14.007) 19.893 9.829 ( -4.892 -4.555 -3.166) 7.397 9.940 ( 6.062 1.971 -6.950) 9.430 19.096 ( 1.656 1.518 1.303) 2.597 19.170 ( -1.668 2.191 -2.264) 3.565 19.366 ( -1.233 -0.222 1.245) 1.767 19.402 ( 0.424 -1.162 -0.471) 1.324 21.579 ( 0.994 -1.887 0.559) 2.205 21.596 ( -1.056 -1.973 -0.145) 2.242 21.845 ( 0.135 -6.150 3.001) 6.844 21.959 ( 0.174 -5.868 -2.668) 6.448 24.413 ( 0.362 -0.214 0.050) 0.423 24.421 ( -1.202 -0.862 -0.115) 1.484 24.497 ( 0.786 0.086 0.594) 0.989 24.522 ( -1.386 0.024 -0.475) 1.465 32.563 ( -0.540 0.588 1.319) 1.542 32.621 ( 1.891 -0.051 -0.291) 1.914 32.655 ( -0.186 0.767 0.742) 1.083 32.712 ( 0.036 -0.355 -1.913) 1.946 41.397 ( 0.083 -2.710 -0.980) 2.883 41.544 ( -0.935 0.584 -8.154) 8.229 41.989 ( 25.720 -28.968 14.122) 41.232 42.206 ( -7.662 -14.559 0.853) 16.475 45.501 ( 7.923 0.408 1.135) 8.015 45.586 ( -5.480 -3.733 -2.095) 6.953 46.165 ( 1.179 20.957 9.265) 22.944 46.737 ( -1.489 47.821 -24.519) 53.761 ======================= Grid point 216 (109/150) ======================= q-point: ( 0.25 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 1.380 -0.000 -6.357) 6.505 1.745 ( 2.697 -0.000 -13.649) 13.913 2.206 ( 3.009 -0.000 -0.731) 3.097 2.417 ( 3.481 -0.000 7.414) 8.190 2.596 ( 14.916 -0.000 8.377) 17.107 2.977 ( -0.816 0.000 -14.130) 14.153 3.091 ( 17.134 -0.000 1.037) 17.165 3.166 ( 11.566 -0.000 -1.825) 11.709 3.246 ( 2.556 -0.000 10.413) 10.722 3.367 ( 8.510 -0.000 11.184) 14.054 3.488 ( 1.589 -0.000 5.675) 5.894 3.649 ( 8.641 -0.000 2.068) 8.885 3.985 ( 7.583 -0.000 0.334) 7.590 4.175 ( -8.953 0.000 -3.667) 9.675 4.177 ( 7.232 -0.000 -3.627) 8.090 4.420 ( -3.941 0.000 4.033) 5.639 4.521 ( -1.684 0.000 0.921) 1.919 4.662 ( 4.613 -0.000 3.399) 5.730 4.716 ( 8.439 -0.000 0.431) 8.450 5.109 ( 6.315 -0.000 -2.723) 6.877 5.324 ( 3.888 -0.000 -0.928) 3.997 5.636 ( 10.001 -0.000 -8.853) 13.357 5.762 ( 8.579 -0.000 0.278) 8.584 6.201 ( -1.090 0.000 -5.553) 5.659 6.316 ( -0.412 0.000 1.395) 1.455 6.636 ( -2.551 0.000 0.850) 2.689 6.718 ( 6.637 -0.000 -0.697) 6.674 7.088 ( 1.604 -0.000 -4.300) 4.589 7.317 ( -6.429 0.000 7.745) 10.066 7.390 ( -6.647 0.000 -1.128) 6.742 7.604 ( 1.389 -0.000 0.053) 1.390 8.365 ( 0.069 -0.000 2.864) 2.865 8.876 ( 11.108 -0.000 22.706) 25.277 9.315 ( -7.357 0.000 11.824) 13.926 9.916 ( 13.922 -0.000 -18.998) 23.553 9.964 ( -0.331 0.000 -6.858) 6.866 19.089 ( 0.649 -0.000 -1.366) 1.513 19.194 ( 2.488 -0.000 1.263) 2.790 19.360 ( -1.304 0.000 1.684) 2.130 19.441 ( -0.562 0.000 -1.126) 1.259 21.414 ( -2.098 0.000 1.170) 2.402 21.559 ( -2.832 0.000 -0.136) 2.835 21.793 ( -6.465 0.000 2.071) 6.788 21.832 ( -4.523 0.000 -2.990) 5.422 24.398 ( -1.090 0.000 0.798) 1.351 24.431 ( 0.882 -0.000 0.067) 0.885 24.463 ( -0.867 0.000 -0.399) 0.954 24.590 ( 0.213 -0.000 1.506) 1.521 32.602 ( -0.265 0.000 -1.374) 1.400 32.631 ( 1.141 -0.000 -0.727) 1.353 32.637 ( -0.531 0.000 -1.784) 1.861 32.672 ( -0.018 0.000 1.510) 1.510 40.832 ( -5.432 0.000 -14.904) 15.863 41.197 ( -3.459 0.000 6.111) 7.022 41.730 ( 0.360 -0.000 -1.804) 1.839 42.747 ( -13.398 0.000 -11.537) 17.680 45.069 ( -7.016 0.000 0.809) 7.063 45.465 ( -6.237 0.000 1.212) 6.354 46.810 ( 19.209 -0.000 10.892) 22.082 47.466 ( 37.811 -0.000 -16.244) 41.153 ======================= Grid point 217 (110/150) ======================= q-point: ( 0.38 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 3.156 -3.004 -3.128) 5.364 1.780 ( 5.518 -6.404 -12.203) 14.844 2.223 ( 5.741 7.710 6.738) 11.739 2.520 ( 2.238 -1.326 6.449) 6.954 2.788 ( 7.409 4.971 2.432) 9.248 2.856 ( -2.904 -1.056 -5.402) 6.223 3.205 ( 1.741 7.407 6.895) 10.268 3.219 ( 11.984 14.863 6.601) 20.202 3.301 ( 1.351 -1.199 -4.741) 5.073 3.485 ( 0.294 -0.202 7.585) 7.594 3.649 ( 7.177 -7.111 0.906) 10.144 3.792 ( -1.516 -4.835 -3.658) 6.250 3.999 ( -0.235 4.083 -2.834) 4.976 4.217 ( 6.691 -7.384 -0.634) 9.985 4.285 ( 6.285 -3.608 -2.418) 7.640 4.406 ( 2.855 3.325 4.465) 6.257 4.516 ( -2.880 -4.624 1.276) 5.595 4.758 ( 6.197 0.337 3.332) 7.044 4.832 ( 5.677 1.182 -1.107) 5.903 5.224 ( 12.688 3.774 -1.651) 13.340 5.379 ( 5.184 0.445 2.368) 5.716 5.684 ( 5.954 3.759 -9.165) 11.557 5.887 ( 5.693 0.147 0.583) 5.725 6.100 ( -2.581 4.302 -8.615) 9.969 6.366 ( 1.493 -4.284 4.679) 6.517 6.616 ( -3.646 -1.940 1.510) 4.398 6.808 ( 3.256 -2.499 -1.545) 4.386 7.064 ( 1.977 2.772 -5.529) 6.493 7.215 ( -7.570 2.758 3.906) 8.954 7.329 ( -4.733 -2.364 2.368) 5.797 7.657 ( 5.134 0.047 -0.720) 5.185 8.349 ( -3.495 0.192 3.111) 4.683 9.142 ( 8.024 0.439 21.910) 23.338 9.283 ( -6.020 0.224 13.963) 15.207 9.906 ( 0.878 2.725 -9.581) 9.999 10.021 ( 13.467 0.983 -17.457) 22.069 19.085 ( 1.682 1.913 -0.828) 2.679 19.255 ( 2.304 -2.230 0.720) 3.287 19.342 ( -1.476 0.471 1.135) 1.921 19.419 ( -1.821 -0.191 -1.089) 2.130 21.386 ( 0.009 2.030 1.882) 2.768 21.503 ( -2.691 1.852 -1.257) 3.500 21.693 ( -5.740 -0.609 0.577) 5.801 21.798 ( -5.811 -5.860 -1.366) 8.365 24.388 ( -1.055 -0.281 0.843) 1.379 24.436 ( -0.332 -0.019 -0.520) 0.617 24.457 ( 0.480 -0.024 0.147) 0.503 24.590 ( -0.585 0.320 0.748) 1.002 32.581 ( -0.908 0.317 -1.073) 1.441 32.613 ( 0.379 1.128 -1.373) 1.817 32.654 ( 0.328 -1.783 -1.651) 2.452 32.690 ( 0.787 0.262 2.463) 2.599 40.751 ( 3.020 0.038 -9.189) 9.673 41.188 ( -2.820 -0.294 6.782) 7.351 41.727 ( -0.348 -0.729 -0.744) 1.099 42.455 ( -11.649 4.802 -10.160) 16.186 45.027 ( -6.174 -6.858 0.872) 9.269 45.408 ( -7.559 -5.725 0.583) 9.500 47.091 ( 16.488 8.715 12.526) 22.466 47.904 ( 32.052 0.542 -18.316) 36.921 ======================= Grid point 218 (111/150) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 7.808 -3.126 0.491) 8.425 1.931 ( 8.146 -6.781 -6.040) 12.199 2.254 ( 6.101 8.466 9.298) 13.977 2.557 ( -0.787 0.227 0.001) 0.819 2.733 ( -4.203 3.827 3.420) 6.634 2.858 ( 8.869 11.162 0.767) 14.277 3.152 ( 2.624 9.668 2.998) 10.457 3.186 ( -3.719 -1.610 1.347) 4.271 3.342 ( 5.757 1.979 -1.495) 6.269 3.509 ( -2.322 -1.876 4.471) 5.376 3.708 ( -11.031 -8.490 -6.848) 15.513 3.789 ( 5.643 1.607 -2.280) 6.294 3.975 ( 4.439 7.106 0.045) 8.379 4.279 ( -4.023 0.922 -3.481) 5.399 4.390 ( 3.639 -0.371 -0.954) 3.780 4.423 ( 0.920 2.607 9.469) 9.864 4.617 ( 7.956 -0.659 1.794) 8.182 4.810 ( 1.879 5.339 -1.136) 5.773 4.854 ( 4.823 2.962 -0.308) 5.668 5.315 ( 7.066 5.163 -2.223) 9.030 5.520 ( 9.096 0.205 6.751) 11.329 5.614 ( 0.359 5.626 -9.579) 11.115 5.887 ( -1.810 5.951 -8.579) 10.597 5.969 ( 0.673 3.691 -0.927) 3.865 6.487 ( -0.077 -3.610 7.081) 7.948 6.584 ( -3.427 -1.597 2.510) 4.538 6.843 ( 0.027 -0.773 -3.420) 3.506 7.005 ( -2.132 3.564 -3.161) 5.219 7.148 ( 0.537 -1.757 0.541) 1.916 7.307 ( -4.737 -2.304 3.891) 6.549 7.736 ( 7.198 1.803 -0.337) 7.428 8.294 ( -5.075 0.174 1.044) 5.184 9.236 ( -6.795 2.287 17.206) 18.639 9.381 ( 4.907 -3.274 16.361) 17.392 9.819 ( 3.010 5.488 -12.054) 13.582 10.091 ( 11.564 3.761 -15.851) 19.979 19.089 ( 2.815 1.997 -0.259) 3.462 19.305 ( 0.137 -0.623 0.403) 0.755 19.332 ( 0.034 -1.048 0.341) 1.103 19.381 ( -2.792 -0.350 -0.743) 2.910 21.405 ( 2.931 -0.221 1.916) 3.509 21.438 ( -0.475 1.724 -1.840) 2.565 21.644 ( -5.714 -3.733 0.223) 6.829 21.780 ( -6.409 -6.259 -1.062) 9.021 24.384 ( -0.828 -0.524 0.794) 1.261 24.425 ( -0.720 -0.131 -0.547) 0.914 24.471 ( 1.008 0.004 0.208) 1.030 24.575 ( -1.048 0.385 0.008) 1.117 32.565 ( -0.417 0.133 0.142) 0.460 32.603 ( 0.634 0.813 -0.810) 1.311 32.670 ( 0.422 -1.208 -1.682) 2.114 32.707 ( 0.332 0.405 1.997) 2.065 40.804 ( 7.855 0.377 -1.531) 8.012 41.201 ( -1.436 -1.645 6.511) 6.867 41.729 ( -0.714 -1.122 -1.263) 1.834 42.195 ( -9.024 2.986 -8.627) 12.836 45.060 ( -3.971 -9.149 0.633) 9.993 45.386 ( -8.339 -8.593 0.239) 11.977 47.195 ( 10.802 17.547 13.984) 24.902 48.173 ( 23.320 6.695 -21.786) 32.608 ======================= Grid point 219 (112/150) ======================= q-point: (-0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 8.058 2.696 8.746) 12.195 2.079 ( 7.854 0.335 -0.616) 7.885 2.270 ( 4.783 7.275 3.592) 9.418 2.503 ( -5.858 -0.902 -3.319) 6.793 2.605 ( -2.359 11.151 7.156) 13.458 2.824 ( 4.304 5.844 -4.857) 8.733 3.063 ( 2.831 9.017 2.489) 9.773 3.286 ( -6.245 1.685 -5.608) 8.561 3.312 ( 6.230 -9.560 -0.754) 11.436 3.555 ( 0.420 -2.356 3.793) 4.485 3.662 ( -5.665 -5.274 -0.583) 7.762 3.726 ( 6.492 20.214 2.764) 21.410 3.953 ( 0.633 0.246 -2.366) 2.462 4.064 ( -11.187 9.347 -4.367) 15.218 4.369 ( 0.152 8.185 3.613) 8.948 4.487 ( 2.852 -0.104 5.823) 6.485 4.653 ( -0.288 5.249 -2.075) 5.652 4.745 ( 0.911 5.449 -1.729) 5.789 4.903 ( 6.126 2.610 1.993) 6.951 5.248 ( -0.862 9.891 -3.771) 10.621 5.457 ( -0.964 8.203 -6.732) 10.655 5.643 ( -2.354 2.694 -2.356) 4.284 5.718 ( 3.808 4.600 -1.885) 6.262 5.949 ( 0.864 2.859 0.660) 3.059 6.461 ( -3.102 3.679 6.921) 8.430 6.640 ( -1.116 -4.227 3.834) 5.814 6.792 ( 0.434 5.262 -4.069) 6.666 6.927 ( -2.880 -1.788 -4.337) 5.504 7.250 ( 3.927 -5.915 1.366) 7.230 7.292 ( -4.421 -2.266 5.283) 7.252 7.814 ( 8.172 4.501 1.251) 9.413 8.203 ( -6.078 0.415 -2.426) 6.557 9.164 ( -9.500 4.578 18.217) 21.049 9.564 ( 0.742 -5.443 11.525) 12.767 9.741 ( 5.871 5.721 -13.400) 15.708 10.093 ( 9.102 6.541 -15.349) 19.006 19.113 ( 3.532 1.774 0.395) 3.972 19.289 ( -2.098 0.966 -0.724) 2.421 19.331 ( -0.982 -0.859 0.104) 1.309 19.370 ( -0.884 -1.646 -0.002) 1.868 21.438 ( 3.425 -0.666 -1.642) 3.857 21.501 ( 3.760 -2.862 2.262) 5.239 21.612 ( -5.081 -4.726 -0.215) 6.943 21.760 ( -6.147 -6.328 -1.324) 8.921 24.386 ( -0.462 -0.716 0.684) 1.093 24.415 ( -0.529 -0.209 -0.440) 0.719 24.487 ( 0.985 0.092 0.261) 1.024 24.551 ( -1.281 0.311 -0.436) 1.388 32.568 ( 0.065 -0.281 1.104) 1.141 32.602 ( 1.132 0.701 -0.256) 1.356 32.681 ( 0.585 -0.456 -1.421) 1.603 32.708 ( -0.455 0.429 1.113) 1.277 40.969 ( 12.146 -2.207 5.064) 13.343 41.267 ( 0.001 -4.555 6.474) 7.916 41.703 ( -0.990 1.116 -4.639) 4.873 42.023 ( -7.758 -1.763 -5.792) 9.841 45.160 ( 0.351 -10.010 0.853) 10.052 45.383 ( -7.717 -9.345 -0.386) 12.126 47.113 ( 4.640 24.507 15.913) 29.586 48.159 ( 12.452 17.337 -27.266) 34.627 ======================= Grid point 220 (113/150) ======================= q-point: (-0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.112 10.713 13.399) 17.155 2.139 ( 4.354 12.114 2.600) 13.132 2.228 ( 1.459 9.075 4.611) 10.283 2.379 ( -9.800 -2.703 -4.057) 10.946 2.476 ( -0.387 9.402 0.700) 9.436 2.820 ( 5.873 1.913 -10.931) 12.555 3.036 ( -1.738 8.352 2.760) 8.966 3.085 ( -1.551 3.586 -0.353) 3.923 3.437 ( -3.251 10.358 -1.512) 10.961 3.473 ( 2.779 11.616 -4.410) 12.732 3.610 ( 8.844 14.889 8.380) 19.238 3.664 ( -1.045 7.148 2.385) 7.608 3.810 ( -5.122 -6.083 -1.782) 8.149 4.015 ( 4.262 -9.299 -2.619) 10.559 4.256 ( -2.030 7.714 3.441) 8.687 4.501 ( -2.297 6.646 -4.198) 8.190 4.547 ( -1.166 2.887 4.193) 5.223 4.668 ( 0.198 4.921 -1.698) 5.210 4.917 ( 1.398 8.687 1.482) 8.923 5.050 ( -1.623 9.616 -5.259) 11.079 5.336 ( -0.291 3.721 -1.468) 4.011 5.487 ( -3.082 3.188 -8.010) 9.155 5.763 ( 1.321 2.630 7.180) 7.760 5.944 ( 1.992 -0.005 -2.380) 3.104 6.425 ( -0.605 3.944 6.483) 7.613 6.644 ( 0.950 3.593 -2.518) 4.489 6.738 ( -0.424 0.015 1.603) 1.658 6.903 ( -0.855 -1.674 -4.530) 4.905 7.292 ( -4.533 -2.948 6.550) 8.494 7.395 ( 3.454 -5.618 1.322) 6.726 7.874 ( 7.985 6.996 3.664) 11.230 8.075 ( -6.248 1.375 -5.604) 8.505 9.025 ( -11.551 7.471 18.432) 22.999 9.640 ( -3.730 -1.451 5.997) 7.210 9.710 ( 6.297 1.763 -13.147) 14.683 10.046 ( 6.984 6.179 -13.929) 16.762 19.145 ( 2.856 1.977 1.197) 3.674 19.221 ( -2.913 1.437 -2.041) 3.836 19.350 ( 0.276 -1.153 0.918) 1.499 19.368 ( -1.145 -1.168 -0.077) 1.638 21.517 ( -2.571 -2.584 0.274) 3.655 21.533 ( 2.472 -2.485 -0.269) 3.516 21.676 ( 0.074 -6.102 2.341) 6.536 21.776 ( -0.011 -7.323 -2.624) 7.779 24.395 ( -0.250 -0.813 0.593) 1.037 24.411 ( -0.012 -0.182 -0.323) 0.371 24.501 ( 0.869 0.185 0.501) 1.020 24.525 ( -1.279 0.234 -0.583) 1.425 32.572 ( -0.721 0.000 1.129) 1.339 32.623 ( 2.297 0.100 -0.343) 2.324 32.676 ( -0.610 0.759 0.392) 1.050 32.704 ( 0.329 -0.208 -0.964) 1.040 41.269 ( 11.200 -7.168 2.411) 13.514 41.373 ( -1.858 -9.542 4.278) 10.621 41.671 ( 6.223 1.239 0.821) 6.398 41.929 ( -8.717 -6.118 -4.980) 11.756 45.341 ( 3.597 -10.104 1.311) 10.806 45.406 ( -1.945 -8.522 -1.674) 8.900 46.880 ( -0.595 28.523 17.025) 33.223 47.794 ( 2.019 30.276 -30.927) 43.327 ======================= Grid point 221 (114/150) ======================= q-point: (-0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -7.534 19.678 4.890) 21.631 1.951 ( -3.210 15.748 11.147) 19.559 2.117 ( 4.886 13.588 -1.225) 14.492 2.246 ( -10.215 -3.570 -3.125) 11.263 2.356 ( -3.305 4.323 4.814) 7.265 2.742 ( 7.175 10.485 -11.756) 17.309 2.941 ( -4.286 -1.478 -1.362) 4.734 3.052 ( 1.120 16.926 3.825) 17.389 3.211 ( 0.009 5.508 1.887) 5.822 3.324 ( 10.262 20.129 -2.757) 22.761 3.581 ( 4.380 2.907 -1.097) 5.370 3.682 ( 7.433 2.650 4.839) 9.256 3.874 ( -2.131 -4.124 -0.097) 4.643 4.146 ( 1.029 2.654 -6.685) 7.266 4.206 ( 5.269 3.936 7.305) 9.829 4.390 ( -0.635 3.978 -2.323) 4.650 4.469 ( -3.575 0.850 -0.196) 3.680 4.654 ( 3.931 -0.591 1.620) 4.293 4.756 ( -2.957 11.386 1.026) 11.809 4.943 ( 2.940 4.260 -5.569) 7.603 5.311 ( -2.045 -0.288 0.301) 2.087 5.411 ( -0.836 -1.300 -4.339) 4.606 5.767 ( 0.130 3.997 5.800) 7.046 5.977 ( 2.155 -2.363 -2.757) 4.222 6.396 ( -0.130 3.580 4.020) 5.384 6.593 ( 3.051 4.665 -4.946) 7.452 6.772 ( 1.230 0.423 4.886) 5.057 6.902 ( 1.915 -1.266 -3.065) 3.830 7.297 ( -5.269 -3.337 6.781) 9.213 7.502 ( 1.912 -3.438 1.111) 4.088 7.885 ( 1.197 7.612 2.975) 8.260 7.965 ( 1.749 1.816 -4.004) 4.732 8.837 ( -11.459 8.513 16.994) 22.195 9.576 ( -6.435 1.259 2.298) 6.948 9.723 ( 6.287 0.571 -12.936) 14.395 10.012 ( 4.969 2.668 -10.186) 11.643 19.122 ( -2.626 1.371 -0.794) 3.067 19.187 ( 2.215 2.387 0.066) 3.257 19.346 ( -1.361 -0.581 1.012) 1.793 19.400 ( 1.479 -1.503 0.324) 2.133 21.470 ( -6.220 -3.570 -0.081) 7.172 21.603 ( 0.018 -1.744 0.543) 1.827 21.762 ( 0.424 -6.678 0.934) 6.756 21.907 ( 4.636 -5.469 -1.268) 7.281 24.402 ( -0.234 -0.461 0.320) 0.608 24.417 ( 0.453 -0.202 0.120) 0.511 24.501 ( -1.048 -0.036 -0.380) 1.115 24.517 ( 0.934 0.191 0.742) 1.208 32.566 ( -0.556 0.098 1.186) 1.313 32.637 ( -0.080 0.530 -0.957) 1.097 32.669 ( 0.710 -0.014 -0.120) 0.720 32.707 ( 0.766 0.386 -1.044) 1.351 41.302 ( -8.314 -3.767 -3.395) 9.738 41.495 ( 2.982 -2.590 -2.728) 4.800 41.798 ( -10.584 -6.630 -5.057) 13.474 42.099 ( 16.289 -22.887 6.782) 28.898 45.420 ( -1.997 -6.128 -1.899) 6.719 45.655 ( 14.612 -9.256 0.068) 17.297 46.540 ( -5.906 29.317 13.708) 32.898 47.176 ( 1.090 38.057 -25.731) 45.952 ======================= Grid point 225 (115/150) ======================= q-point: ( 0.38 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 8.280 -0.000 1.923) 8.501 1.807 ( 10.731 -0.000 -6.625) 12.611 2.399 ( 4.667 -0.000 7.653) 8.964 2.548 ( -3.281 0.000 9.541) 10.089 2.698 ( -1.405 0.000 -7.103) 7.241 3.067 ( 11.599 -0.000 7.606) 13.870 3.159 ( -10.020 0.000 -6.928) 12.181 3.247 ( -5.563 0.000 3.704) 6.683 3.448 ( 1.073 -0.000 5.771) 5.870 3.538 ( -13.627 0.000 -14.316) 19.764 3.542 ( 0.446 -0.000 7.416) 7.430 3.769 ( 11.950 -0.000 -3.831) 12.549 4.162 ( 6.772 -0.000 -3.461) 7.605 4.212 ( 1.818 -0.000 4.871) 5.200 4.372 ( 8.379 -0.000 -1.776) 8.565 4.461 ( 1.320 -0.000 8.518) 8.619 4.601 ( 11.176 -0.000 3.183) 11.620 4.896 ( 9.441 -0.000 1.513) 9.561 4.908 ( 3.187 -0.000 -2.276) 3.917 5.348 ( 3.554 -0.000 -2.182) 4.171 5.543 ( 13.119 -0.000 1.458) 13.199 5.717 ( 1.789 -0.000 -8.319) 8.509 5.957 ( 1.030 -0.000 -1.855) 2.122 6.027 ( -2.956 0.000 -7.252) 7.831 6.404 ( 3.395 -0.000 6.718) 7.527 6.576 ( -2.188 0.000 2.764) 3.525 6.798 ( 0.305 -0.000 -3.485) 3.498 7.084 ( 2.168 -0.000 -6.646) 6.990 7.154 ( -7.487 0.000 6.149) 9.689 7.248 ( -3.241 0.000 0.019) 3.241 7.762 ( 8.610 -0.000 -0.429) 8.620 8.298 ( -5.684 0.000 3.229) 6.537 9.269 ( -6.232 0.000 14.209) 15.516 9.324 ( 1.614 -0.000 18.579) 18.649 9.911 ( 3.466 -0.000 -8.600) 9.272 10.143 ( 13.197 -0.000 -15.920) 20.679 19.124 ( 2.237 -0.000 -0.239) 2.249 19.279 ( 2.437 -0.000 -0.040) 2.437 19.326 ( -1.629 0.000 0.924) 1.873 19.376 ( -2.834 0.000 -1.318) 3.125 21.416 ( 0.986 -0.000 1.783) 2.038 21.470 ( -2.107 0.000 -0.854) 2.273 21.618 ( -5.965 0.000 1.678) 6.196 21.645 ( -5.388 0.000 -2.937) 6.136 24.377 ( -0.839 0.000 0.893) 1.225 24.423 ( -0.695 0.000 -0.683) 0.975 24.471 ( 0.992 -0.000 0.368) 1.058 24.581 ( -1.171 0.000 0.085) 1.175 32.566 ( -0.643 0.000 -0.261) 0.694 32.623 ( 0.357 -0.000 -2.405) 2.431 32.644 ( 1.130 -0.000 -0.084) 1.133 32.712 ( 0.318 -0.000 1.943) 1.969 40.801 ( 8.272 -0.000 -4.785) 9.556 41.189 ( -2.432 0.000 7.466) 7.852 41.712 ( -0.397 0.000 0.064) 0.402 42.248 ( -11.416 0.000 -10.696) 15.644 44.923 ( -3.319 0.000 2.651) 4.248 45.266 ( -6.359 0.000 -1.315) 6.493 47.445 ( 12.151 -0.000 14.247) 18.725 48.243 ( 25.520 -0.000 -19.996) 32.421 ======================= Grid point 226 (116/150) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 11.848 -2.169 5.421) 13.209 2.010 ( 13.999 -3.368 0.829) 14.423 2.423 ( -1.524 3.123 5.150) 6.213 2.494 ( -7.965 0.755 3.343) 8.671 2.761 ( 5.134 0.056 4.778) 7.013 2.930 ( -8.325 2.677 -7.417) 11.467 3.115 ( -9.849 -2.776 -5.524) 11.629 3.241 ( 4.031 2.439 2.556) 5.360 3.327 ( -4.420 -1.561 -6.996) 8.421 3.453 ( 0.438 0.871 2.547) 2.727 3.589 ( -0.974 -0.856 6.072) 6.208 3.875 ( 6.245 0.198 -7.192) 9.527 4.176 ( 5.167 6.418 1.329) 8.346 4.229 ( -2.458 2.625 2.952) 4.652 4.480 ( 5.644 0.368 0.821) 5.715 4.538 ( 1.884 2.297 9.533) 9.985 4.772 ( 8.599 2.803 2.286) 9.329 4.886 ( 0.326 3.532 -2.885) 4.573 4.999 ( 6.967 4.990 0.612) 8.591 5.355 ( -1.441 -0.081 -2.823) 3.171 5.602 ( -1.014 2.491 -8.224) 8.653 5.770 ( 8.737 5.623 1.122) 10.450 5.840 ( -1.973 2.271 -10.413) 10.839 6.001 ( -2.196 0.890 2.771) 3.646 6.509 ( 2.069 -1.645 7.742) 8.181 6.565 ( -0.839 0.736 4.146) 4.294 6.798 ( 0.470 -2.269 -4.249) 4.840 7.002 ( -2.955 5.337 -4.817) 7.773 7.128 ( -0.815 -3.209 1.336) 3.570 7.233 ( -2.078 -2.317 1.363) 3.398 7.898 ( 10.767 1.690 0.080) 10.899 8.213 ( -6.949 0.296 1.071) 7.037 9.237 ( -7.443 1.343 15.172) 16.953 9.425 ( -2.038 -3.495 13.203) 13.809 9.900 ( 4.058 4.196 -6.726) 8.905 10.225 ( 10.776 2.831 -15.245) 18.883 19.154 ( 2.882 1.067 0.351) 3.093 19.302 ( -0.814 0.251 -0.200) 0.875 19.315 ( -1.359 -0.567 -0.240) 1.493 19.330 ( -1.077 -0.919 -0.612) 1.543 21.444 ( 0.243 0.311 -0.770) 0.865 21.452 ( 2.529 -0.584 1.690) 3.097 21.532 ( -4.519 -0.420 -0.194) 4.543 21.607 ( -5.112 -4.984 -1.223) 7.243 24.373 ( -0.457 -0.247 0.872) 1.015 24.411 ( -0.388 -0.060 -0.676) 0.781 24.488 ( 0.997 0.024 0.497) 1.114 24.559 ( -1.373 0.198 -0.407) 1.446 32.562 ( -0.082 -0.135 0.473) 0.499 32.614 ( 0.579 0.228 -1.800) 1.904 32.667 ( 1.355 -0.356 0.047) 1.402 32.718 ( -0.531 0.216 1.147) 1.282 40.934 ( 10.356 -0.756 -0.292) 10.388 41.196 ( -2.033 -1.013 5.944) 6.363 41.716 ( 0.703 0.144 0.018) 0.718 42.028 ( -9.304 0.819 -9.545) 13.355 44.945 ( -0.330 -4.958 2.961) 5.785 45.197 ( -5.169 -4.019 -2.248) 6.922 47.587 ( 5.029 10.156 15.362) 19.090 48.420 ( 15.528 4.044 -21.854) 27.112 ======================= Grid point 227 (117/150) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 5.085 2.535 10.808) 12.210 2.250 ( 11.447 -0.086 4.063) 12.147 2.329 ( -13.690 -0.038 -0.917) 13.721 2.396 ( 1.055 1.347 5.214) 5.488 2.688 ( -4.224 5.776 -2.020) 7.435 2.797 ( -1.689 0.290 -8.680) 8.848 3.100 ( -6.018 -1.886 -2.718) 6.867 3.232 ( 3.398 -6.817 -5.577) 9.440 3.355 ( 8.066 2.538 4.144) 9.417 3.477 ( -0.960 -2.310 -2.214) 3.340 3.595 ( -2.884 -0.816 6.495) 7.153 3.894 ( 2.872 0.212 -7.916) 8.423 4.105 ( -3.155 11.825 6.395) 13.809 4.159 ( 5.621 12.502 0.966) 13.741 4.489 ( -1.098 6.841 3.696) 7.852 4.563 ( 1.039 1.642 5.016) 5.380 4.708 ( -3.220 6.863 -1.046) 7.653 4.857 ( 2.901 8.367 -1.577) 8.994 5.029 ( 4.033 2.997 3.734) 6.260 5.246 ( -6.509 3.705 -5.810) 9.479 5.495 ( -0.844 5.441 -4.674) 7.222 5.611 ( -4.656 5.590 -10.544) 12.811 5.882 ( 3.102 5.467 4.552) 7.761 5.952 ( -1.266 0.581 0.076) 1.395 6.533 ( -0.218 3.830 8.615) 9.430 6.616 ( 0.954 -2.419 4.328) 5.049 6.820 ( 1.652 -1.830 -4.740) 5.343 6.862 ( -2.286 4.330 -6.297) 7.977 7.192 ( -2.122 -4.765 3.523) 6.295 7.268 ( 2.440 -3.734 0.603) 4.502 8.029 ( 11.440 4.443 0.750) 12.295 8.098 ( -7.156 0.515 -2.282) 7.528 9.169 ( -9.421 3.393 17.600) 20.249 9.494 ( -4.851 -5.311 9.165) 11.651 9.857 ( 3.899 5.626 -6.520) 9.454 10.219 ( 7.346 5.891 -15.979) 18.547 19.188 ( 2.905 1.219 0.943) 3.288 19.246 ( -3.519 0.594 -1.444) 3.850 19.314 ( -0.071 -1.226 0.951) 1.553 19.343 ( -0.197 -0.774 -0.625) 1.014 21.459 ( -3.870 -1.486 0.375) 4.163 21.483 ( 3.229 -1.183 -0.462) 3.470 21.543 ( 0.389 -3.737 1.640) 4.100 21.608 ( -0.001 -5.104 -1.989) 5.477 24.379 ( -0.029 -0.419 0.806) 0.909 24.407 ( 0.084 -0.115 -0.628) 0.644 24.505 ( 0.947 0.125 0.692) 1.180 24.532 ( -1.354 0.259 -0.619) 1.511 32.567 ( -0.325 -0.237 0.741) 0.843 32.619 ( 1.065 -0.449 -1.538) 1.924 32.691 ( 1.047 0.318 0.533) 1.217 32.705 ( -0.762 0.231 0.146) 0.809 41.125 ( 11.107 -3.075 2.661) 11.828 41.214 ( -3.167 -3.572 1.848) 5.119 41.724 ( 2.845 1.871 -0.440) 3.434 41.857 ( -7.264 -0.500 -6.594) 9.823 45.074 ( 3.139 -8.735 2.923) 9.731 45.194 ( -2.292 -6.697 -2.811) 7.616 47.506 ( -2.525 17.717 16.983) 24.672 48.339 ( 4.304 12.498 -24.888) 28.181 ======================= Grid point 228 (118/150) ======================= q-point: (-0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -15.914 -1.345 0.552) 15.981 2.179 ( -5.294 5.268 8.118) 11.031 2.274 ( -6.378 4.709 -1.443) 8.058 2.435 ( 3.444 8.865 6.631) 11.593 2.612 ( 3.653 9.549 -1.764) 10.375 2.819 ( 5.270 -1.942 -9.110) 10.702 2.929 ( -9.616 1.629 4.493) 10.738 3.252 ( 1.482 4.529 -2.842) 5.549 3.466 ( 2.813 2.020 -2.104) 4.052 3.583 ( 9.805 -6.235 -1.027) 11.665 3.618 ( -3.880 -5.783 2.387) 7.362 3.859 ( 1.750 8.854 -0.948) 9.075 3.916 ( -2.784 9.872 -0.377) 10.264 4.078 ( 8.482 9.996 0.433) 13.117 4.380 ( -0.461 8.658 6.258) 10.692 4.524 ( -3.302 4.194 -2.725) 5.993 4.595 ( -3.125 4.703 4.201) 7.037 4.746 ( 0.931 8.240 -2.459) 8.650 5.010 ( -4.023 5.183 -1.055) 6.645 5.084 ( -1.849 4.315 -0.294) 4.703 5.389 ( -1.673 5.855 -1.266) 6.219 5.445 ( -1.553 4.309 -5.326) 7.025 5.839 ( -1.714 0.124 1.323) 2.169 5.956 ( 1.634 2.553 0.117) 3.033 6.519 ( -0.009 4.944 7.103) 8.654 6.682 ( 1.973 -0.471 1.828) 2.731 6.763 ( 1.036 2.148 -2.989) 3.824 6.856 ( 1.468 -2.526 -4.394) 5.277 7.203 ( -4.905 -3.473 3.852) 7.139 7.393 ( 4.330 -4.630 0.628) 6.370 7.963 ( -6.515 0.644 -5.217) 8.371 8.126 ( 10.682 7.455 1.464) 13.108 9.048 ( -11.148 6.867 19.668) 23.627 9.505 ( -8.871 -4.330 8.869) 13.271 9.814 ( 4.863 4.283 -8.408) 10.616 10.133 ( 4.444 6.300 -16.967) 18.636 19.157 ( -3.791 1.261 -1.153) 4.159 19.236 ( 2.852 1.146 0.774) 3.170 19.335 ( -0.933 -0.094 -0.008) 0.937 19.350 ( 0.879 -2.158 1.050) 2.556 21.402 ( -5.216 -1.236 0.268) 5.367 21.543 ( -2.950 -2.672 0.294) 3.991 21.607 ( 5.117 -4.726 -0.091) 6.966 21.749 ( 6.831 -6.139 -0.656) 9.207 24.390 ( 0.278 -0.391 0.615) 0.780 24.411 ( 0.611 -0.231 -0.396) 0.764 24.504 ( -1.273 0.250 -0.458) 1.376 24.523 ( 0.932 0.223 0.770) 1.229 32.565 ( -0.723 -0.134 0.887) 1.152 32.636 ( 0.913 -0.802 -1.757) 2.136 32.671 ( -1.486 0.378 -0.257) 1.555 32.720 ( 1.725 0.468 0.232) 1.803 41.176 ( -8.139 -4.432 -5.563) 10.809 41.365 ( 9.953 -5.842 2.600) 11.830 41.719 ( -6.145 -0.275 -4.917) 7.875 41.817 ( 7.584 -2.204 3.646) 8.699 45.212 ( -0.608 -8.271 -1.066) 8.362 45.365 ( 10.301 -11.742 0.127) 15.621 47.244 ( -9.355 22.484 17.546) 30.015 47.968 ( -3.658 22.097 -26.116) 34.405 ======================= Grid point 229 (119/150) ======================= q-point: (-0.12 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -10.277 -2.578 -3.423) 11.134 2.031 ( -8.281 12.118 4.043) 15.224 2.100 ( -10.227 -2.233 3.872) 11.161 2.210 ( -8.534 16.136 5.899) 19.183 2.444 ( -0.819 9.133 -2.187) 9.426 2.810 ( 0.908 0.187 -3.411) 3.535 2.967 ( 5.896 4.429 0.411) 7.386 3.193 ( -0.523 3.683 1.623) 4.059 3.373 ( 1.513 15.018 0.439) 15.101 3.635 ( -1.146 0.706 -6.438) 6.577 3.710 ( 3.996 4.292 -3.365) 6.761 3.790 ( 10.418 1.906 -0.856) 10.625 3.877 ( 5.046 3.009 4.769) 7.568 4.145 ( 4.316 -2.185 -4.317) 6.483 4.387 ( 2.202 -0.191 3.343) 4.008 4.399 ( 0.334 4.836 1.777) 5.163 4.477 ( -3.664 6.877 3.647) 8.603 4.692 ( 0.117 1.654 1.062) 1.969 4.873 ( -0.384 6.657 -3.079) 7.345 4.981 ( -4.123 5.468 -0.523) 6.868 5.291 ( -1.556 2.546 -0.893) 3.115 5.415 ( 3.233 2.102 1.148) 4.024 5.856 ( 1.279 1.333 1.740) 2.538 5.928 ( -0.972 -1.931 -4.073) 4.611 6.486 ( 0.747 5.627 5.345) 7.797 6.673 ( 3.641 3.694 -4.113) 6.620 6.828 ( 2.313 -2.834 4.339) 5.675 6.882 ( 0.990 -1.799 -3.175) 3.781 7.198 ( -4.824 -4.171 4.352) 7.721 7.486 ( 0.831 -2.157 -0.180) 2.319 7.847 ( -3.565 0.389 -5.987) 6.979 8.176 ( 9.266 8.187 2.079) 12.538 8.881 ( -10.437 8.802 19.568) 23.860 9.439 ( -11.485 -1.884 10.455) 15.645 9.807 ( 6.705 2.393 -10.629) 12.793 10.034 ( 2.803 2.700 -16.070) 16.535 19.081 ( -3.030 0.824 -1.604) 3.526 19.258 ( 2.069 2.118 1.166) 3.182 19.328 ( -0.614 -0.478 1.044) 1.302 19.401 ( 1.170 -2.078 0.793) 2.514 21.350 ( -4.231 -1.603 0.623) 4.568 21.530 ( -3.454 -3.175 -0.437) 4.712 21.745 ( 4.694 -3.644 0.033) 5.942 21.917 ( 5.367 -4.634 -0.307) 7.097 24.403 ( 0.582 -0.176 0.267) 0.664 24.423 ( 0.501 -0.103 0.163) 0.537 24.481 ( -1.068 -0.067 -0.537) 1.198 24.540 ( 1.002 0.217 1.108) 1.510 32.562 ( -0.476 -0.239 0.848) 1.002 32.632 ( -0.771 0.336 0.282) 0.887 32.658 ( 0.052 -0.913 -2.823) 2.968 32.732 ( 1.086 1.004 -0.184) 1.491 41.049 ( -10.964 -4.981 -8.202) 14.570 41.536 ( -0.270 3.184 1.811) 3.673 41.598 ( -0.543 -4.738 -7.533) 8.915 42.086 ( 9.173 -12.828 5.106) 16.577 45.321 ( 2.118 -7.642 -2.139) 8.214 45.723 ( 14.014 -12.736 -0.327) 18.940 46.828 ( -14.637 25.786 12.245) 32.080 47.474 ( 0.031 24.541 -19.571) 31.389 ======================= Grid point 234 (120/150) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 14.971 -0.000 7.461) 16.727 2.231 ( 12.789 -0.000 6.883) 14.523 2.339 ( -11.697 -0.000 0.087) 11.697 2.398 ( -9.675 -0.000 8.294) 12.743 2.791 ( -17.202 0.000 -13.708) 21.996 2.804 ( -0.622 -0.000 -8.999) 9.020 2.966 ( 13.110 -0.000 6.894) 14.812 3.151 ( -6.830 -0.000 -4.091) 7.962 3.437 ( 8.253 -0.000 1.238) 8.345 3.455 ( -1.318 -0.000 -0.269) 1.346 3.597 ( -2.484 -0.000 5.691) 6.210 3.901 ( 3.565 -0.000 -9.277) 9.938 4.267 ( -1.721 0.000 7.470) 7.665 4.282 ( 4.260 -0.000 2.164) 4.778 4.548 ( 2.127 -0.000 1.288) 2.486 4.607 ( -0.516 -0.000 6.056) 6.078 4.838 ( -7.346 -0.000 -0.792) 7.389 4.946 ( 7.159 -0.000 2.669) 7.640 5.134 ( 4.276 -0.000 0.558) 4.312 5.267 ( -7.012 -0.000 -4.647) 8.412 5.569 ( -0.021 -0.000 -5.430) 5.430 5.694 ( -5.753 -0.000 -12.792) 14.026 5.951 ( -7.143 -0.000 2.937) 7.724 5.983 ( 6.981 -0.000 3.776) 7.937 6.572 ( 2.167 -0.000 6.055) 6.431 6.604 ( 0.820 -0.000 6.606) 6.656 6.769 ( 0.690 -0.000 -4.844) 4.893 6.966 ( -3.458 -0.000 -8.721) 9.381 7.095 ( 0.332 -0.000 4.584) 4.596 7.211 ( 0.845 -0.000 -0.680) 1.085 8.090 ( 12.989 -0.000 -0.267) 12.991 8.104 ( -7.896 -0.000 -0.766) 7.933 9.212 ( -7.851 -0.000 15.409) 17.293 9.416 ( -4.273 -0.000 11.188) 11.976 9.941 ( 1.474 -0.000 -4.213) 4.464 10.304 ( 7.764 -0.000 -15.390) 17.238 19.205 ( 2.541 -0.000 1.022) 2.739 19.254 ( -3.781 -0.000 -1.208) 3.969 19.296 ( -0.873 -0.000 0.916) 1.266 19.331 ( 1.271 0.000 -1.172) 1.728 21.446 ( 0.336 -0.000 0.308) 0.456 21.461 ( -2.404 -0.000 1.041) 2.620 21.504 ( -1.556 -0.000 0.610) 1.671 21.528 ( 3.283 -0.000 -2.131) 3.914 24.373 ( 0.036 -0.000 0.858) 0.859 24.405 ( 0.104 -0.000 -0.740) 0.747 24.507 ( 1.008 -0.000 0.804) 1.290 24.536 ( -1.433 -0.000 -0.629) 1.565 32.563 ( -0.028 -0.000 0.444) 0.445 32.610 ( 0.269 -0.000 -1.890) 1.909 32.695 ( 1.961 -0.000 0.781) 2.111 32.709 ( -1.360 -0.000 0.285) 1.390 41.088 ( 10.330 -0.000 1.379) 10.422 41.171 ( -2.885 -0.000 1.064) 3.075 41.750 ( 2.964 -0.000 1.134) 3.174 41.857 ( -7.497 -0.000 -7.681) 10.733 44.950 ( 2.907 -0.000 3.773) 4.763 45.099 ( -2.440 -0.000 -3.443) 4.220 47.747 ( -3.790 -0.000 15.668) 16.120 48.495 ( 5.785 -0.000 -21.557) 22.320 ======================= Grid point 236 (121/150) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -16.971 1.216 -0.971) 17.043 2.241 ( -10.915 0.142 5.905) 12.410 2.372 ( -9.500 1.690 -5.783) 11.250 2.489 ( 12.670 0.593 9.920) 16.103 2.637 ( 8.309 -6.206 2.213) 10.604 2.811 ( 6.366 1.664 -5.461) 8.551 3.017 ( -6.612 2.240 -2.733) 7.497 3.226 ( 10.524 -4.169 1.792) 11.461 3.395 ( -4.251 0.952 -1.686) 4.671 3.530 ( 5.898 1.286 -1.375) 6.191 3.591 ( -1.148 -0.561 4.644) 4.816 3.894 ( 2.578 0.501 -8.137) 8.550 4.209 ( -4.170 7.179 3.202) 8.899 4.326 ( 1.427 3.159 2.029) 4.017 4.548 ( -2.067 3.079 3.759) 5.280 4.596 ( -1.657 2.047 0.080) 2.635 4.670 ( -10.908 1.653 4.101) 11.770 4.979 ( 0.561 5.428 -1.638) 5.697 5.093 ( -7.416 2.232 -3.293) 8.416 5.160 ( -1.978 1.851 2.544) 3.716 5.531 ( -2.843 3.544 -5.780) 7.352 5.549 ( -0.277 2.315 -4.161) 4.770 5.832 ( -8.651 0.101 0.488) 8.665 6.041 ( 1.157 2.235 3.318) 4.165 6.616 ( 0.306 1.839 6.591) 6.849 6.651 ( 1.135 0.283 6.145) 6.256 6.766 ( 0.019 -3.344 -4.971) 5.991 6.849 ( -2.540 2.036 -7.958) 8.598 7.143 ( 0.202 -0.301 2.972) 2.994 7.273 ( 5.073 -3.969 -0.556) 6.465 7.974 ( -7.687 0.195 -3.189) 8.325 8.266 ( 12.983 2.817 -1.355) 13.355 9.171 ( -7.675 2.355 18.130) 19.828 9.413 ( -6.505 -2.132 11.099) 13.040 9.908 ( 0.152 2.357 -5.207) 5.718 10.281 ( 3.981 3.683 -16.909) 17.757 19.186 ( -3.695 0.844 -0.931) 3.903 19.246 ( 1.797 -0.176 1.365) 2.264 19.302 ( 0.137 -1.150 1.020) 1.544 19.340 ( 0.701 0.231 -1.099) 1.324 21.410 ( -2.056 1.622 0.709) 2.713 21.470 ( -1.663 -2.581 0.303) 3.085 21.530 ( 4.152 -1.286 0.062) 4.347 21.614 ( 5.982 -3.400 -0.955) 6.946 24.383 ( 0.490 -0.154 0.784) 0.937 24.407 ( 0.609 -0.088 -0.753) 0.972 24.510 ( -1.367 0.164 -0.614) 1.508 24.527 ( 1.059 0.083 1.082) 1.516 32.563 ( -0.422 0.027 0.489) 0.646 32.609 ( 0.290 -0.839 -1.700) 1.917 32.682 ( -1.914 0.286 -0.296) 1.957 32.728 ( 1.962 0.150 0.534) 2.039 41.108 ( -5.478 -0.980 -5.977) 8.167 41.258 ( 9.485 -2.104 1.719) 9.866 41.731 ( -4.782 0.525 -3.384) 5.882 41.814 ( 5.173 0.515 1.991) 5.567 45.053 ( 2.571 -2.888 1.005) 3.995 45.110 ( 4.226 -6.404 -1.123) 7.755 47.654 ( -12.331 8.125 16.072) 21.826 48.346 ( -3.910 7.079 -22.178) 23.607 ======================= Grid point 237 (122/150) ======================= q-point: (-0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -14.922 -0.636 -1.047) 14.972 2.018 ( -17.424 -2.740 -3.857) 18.055 2.246 ( -3.491 2.607 4.313) 6.130 2.616 ( 0.272 4.207 3.344) 5.381 2.703 ( -12.922 14.501 -1.819) 19.508 2.809 ( 5.427 1.809 1.072) 5.820 3.033 ( 12.593 -1.466 9.206) 15.667 3.250 ( -1.587 -0.482 -3.184) 3.590 3.467 ( 6.092 -3.793 -5.299) 8.921 3.584 ( 0.444 0.470 5.338) 5.377 3.638 ( 4.124 -4.001 -4.744) 7.451 3.884 ( 2.171 0.716 -6.102) 6.517 4.003 ( -6.510 9.366 -1.571) 11.514 4.255 ( -1.087 6.349 0.307) 6.449 4.422 ( -10.563 -0.152 1.244) 10.638 4.539 ( 1.913 5.078 2.220) 5.863 4.600 ( -3.825 1.310 6.152) 7.362 4.843 ( -2.291 8.606 -5.095) 10.260 4.938 ( -5.316 0.165 -5.958) 7.986 5.104 ( -6.589 3.041 7.516) 10.448 5.396 ( -2.766 4.624 -2.690) 6.022 5.526 ( 2.428 4.417 3.499) 6.136 5.748 ( -3.720 -3.707 -3.404) 6.258 6.009 ( -2.771 2.849 1.772) 4.351 6.615 ( 0.422 3.431 5.763) 6.720 6.695 ( -0.690 -2.280 4.236) 4.860 6.768 ( 0.122 0.299 -5.689) 5.698 6.810 ( -0.320 -4.634 -2.568) 5.307 7.141 ( -0.586 1.099 2.010) 2.365 7.413 ( 5.337 -3.714 -0.416) 6.516 7.843 ( -6.150 -0.107 -5.010) 7.933 8.377 ( 10.482 5.643 -2.723) 12.212 9.106 ( -7.160 7.386 21.581) 23.907 9.384 ( -9.447 -1.943 12.562) 15.837 9.853 ( 1.117 1.440 -7.484) 7.703 10.156 ( 1.160 5.423 -19.429) 20.205 19.112 ( -3.365 1.380 -1.115) 3.804 19.277 ( 0.697 -0.709 1.279) 1.620 19.331 ( 0.235 -0.038 0.324) 0.402 19.346 ( 1.438 -1.004 0.788) 1.923 21.363 ( -1.278 2.383 1.172) 2.948 21.469 ( -1.557 -1.391 -0.589) 2.169 21.646 ( 5.903 -3.640 0.050) 6.935 21.773 ( 6.873 -5.738 -0.422) 8.963 24.398 ( 0.795 -0.133 0.533) 0.967 24.418 ( 0.972 -0.237 -0.532) 1.133 24.485 ( -1.312 0.208 -0.534) 1.432 24.548 ( 1.115 0.320 1.304) 1.745 32.558 ( -0.605 -0.062 0.774) 0.984 32.620 ( 0.204 -1.365 -1.786) 2.258 32.646 ( -1.813 0.219 -0.432) 1.877 32.751 ( 1.363 0.419 -0.216) 1.442 40.963 ( -9.366 -1.498 -10.505) 14.154 41.439 ( 7.529 -4.675 -0.833) 8.902 41.644 ( -2.854 2.833 -0.685) 4.079 41.931 ( 7.328 -1.432 4.577) 8.758 45.125 ( 2.440 -5.670 -2.063) 6.509 45.372 ( 11.442 -12.656 0.870) 17.084 47.354 ( -19.175 13.856 15.052) 28.040 47.981 ( -9.181 13.472 -21.368) 26.877 ======================= Grid point 238 (123/150) ======================= q-point: (-0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -8.559 -5.679 -0.011) 10.272 1.844 ( -13.290 -7.598 1.672) 15.399 2.103 ( -9.776 13.396 0.005) 16.584 2.269 ( -11.246 10.919 5.830) 16.724 2.494 ( -4.254 5.831 1.452) 7.362 2.848 ( 2.105 2.918 0.986) 3.731 3.183 ( 4.891 11.080 -5.652) 13.365 3.219 ( 1.936 1.549 2.762) 3.712 3.491 ( -3.455 -1.486 -6.948) 7.900 3.547 ( 0.923 5.570 0.184) 5.649 3.753 ( 0.254 -5.090 -1.401) 5.285 3.874 ( 1.990 -2.581 -2.242) 3.956 3.968 ( 8.400 -5.823 -0.471) 10.232 4.196 ( -0.455 2.278 1.519) 2.776 4.303 ( -6.613 -2.899 -1.630) 7.403 4.494 ( -0.159 6.896 2.851) 7.464 4.588 ( 1.661 4.116 5.435) 7.017 4.697 ( -1.615 2.720 -2.673) 4.141 4.862 ( -3.368 0.187 -5.128) 6.138 4.965 ( -7.372 3.356 3.226) 8.719 5.329 ( 0.620 2.479 1.304) 2.869 5.547 ( 4.233 4.638 6.158) 8.795 5.769 ( -1.225 -8.276 -6.184) 10.404 5.908 ( -4.996 3.259 -0.745) 6.012 6.611 ( 1.453 5.067 7.313) 9.015 6.734 ( 0.654 -1.920 0.866) 2.205 6.772 ( 0.454 -4.661 -5.456) 7.190 6.836 ( -3.878 -3.353 1.774) 5.425 7.149 ( 1.825 -0.025 2.561) 3.145 7.475 ( -0.350 0.640 -1.613) 1.770 7.771 ( -1.210 -1.941 -4.594) 5.132 8.404 ( 6.858 6.994 -3.745) 10.487 8.995 ( -5.742 11.317 22.025) 25.420 9.325 ( -10.202 -0.988 14.478) 17.738 9.832 ( 1.955 -0.900 -8.196) 8.474 10.006 ( 1.804 2.900 -20.858) 21.136 19.046 ( -2.174 1.048 -1.280) 2.731 19.299 ( 0.273 -0.459 1.108) 1.230 19.330 ( 0.313 0.622 0.765) 1.035 19.394 ( 1.029 -1.709 1.233) 2.345 21.329 ( -0.013 2.324 1.756) 2.913 21.459 ( -1.056 -1.047 -1.610) 2.191 21.771 ( 4.088 -2.958 -0.035) 5.046 21.934 ( 4.847 -4.410 -0.199) 6.556 24.415 ( 0.997 -0.033 0.144) 1.008 24.432 ( 0.565 0.070 0.072) 0.574 24.462 ( -0.966 -0.066 -0.547) 1.113 24.565 ( 0.909 0.486 1.253) 1.622 32.556 ( -0.435 -0.243 0.693) 0.854 32.624 ( -0.946 -0.763 -1.481) 1.916 32.629 ( -0.042 -0.648 -0.081) 0.655 32.752 ( 0.351 0.827 -1.179) 1.482 40.790 ( -10.100 -3.598 -8.568) 13.725 41.484 ( -2.512 2.127 -8.234) 8.868 41.647 ( 5.144 -0.701 4.504) 6.874 42.104 ( 5.999 -4.991 4.142) 8.835 45.259 ( 4.489 -7.657 -1.826) 9.062 45.742 ( 12.230 -13.764 -0.681) 18.425 46.896 ( -21.781 17.639 9.769) 29.681 47.590 ( -3.797 11.232 -16.079) 19.977 ======================= Grid point 244 (124/150) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -15.586 0.000 -1.491) 15.657 1.971 ( -21.470 0.000 -7.982) 22.905 2.247 ( -2.473 0.000 3.273) 4.102 2.685 ( -1.812 0.000 4.561) 4.908 2.793 ( 12.900 -0.000 5.058) 13.856 2.935 ( 10.594 -0.000 3.603) 11.190 2.968 ( 0.952 -0.000 -0.495) 1.073 3.222 ( -11.305 0.000 -1.645) 11.424 3.433 ( 9.499 -0.000 1.372) 9.598 3.596 ( -0.023 0.000 2.545) 2.545 3.605 ( 5.218 -0.000 -3.589) 6.333 3.895 ( 2.899 -0.000 -7.993) 8.503 4.170 ( -8.080 0.000 -2.358) 8.417 4.297 ( -8.409 0.000 0.102) 8.410 4.438 ( -16.081 0.000 0.147) 16.081 4.578 ( -1.077 0.000 5.626) 5.728 4.630 ( -0.149 0.000 3.258) 3.262 4.934 ( -8.810 0.000 -6.377) 10.876 4.969 ( -4.366 0.000 -4.101) 5.990 5.148 ( -7.798 0.000 8.324) 11.406 5.453 ( -3.669 0.000 -4.421) 5.746 5.621 ( 4.166 -0.000 3.865) 5.683 5.693 ( -8.344 0.000 -1.973) 8.574 6.042 ( -4.151 0.000 2.284) 4.737 6.672 ( 1.517 -0.000 2.702) 3.099 6.682 ( -2.600 0.000 -5.657) 6.226 6.693 ( -2.287 0.000 10.741) 10.982 6.762 ( -3.307 0.000 -7.255) 7.973 7.214 ( 3.577 -0.000 2.549) 4.393 7.320 ( 6.984 -0.000 -1.734) 7.196 7.844 ( -7.031 0.000 -4.147) 8.163 8.449 ( 10.114 -0.000 -3.653) 10.753 9.210 ( -2.624 0.000 19.624) 19.799 9.356 ( -8.534 0.000 13.549) 16.012 9.879 ( -1.084 0.000 -6.876) 6.961 10.241 ( -0.073 0.000 -19.049) 19.049 19.137 ( -3.140 0.000 -0.654) 3.207 19.254 ( -0.733 0.000 0.929) 1.184 19.318 ( 1.812 -0.000 1.729) 2.505 19.350 ( 1.058 -0.000 -0.921) 1.403 21.432 ( 0.865 -0.000 0.989) 1.314 21.440 ( 0.061 -0.000 0.420) 0.425 21.588 ( 4.992 -0.000 0.440) 5.012 21.676 ( 6.581 -0.000 -1.330) 6.714 24.396 ( 0.871 -0.000 0.730) 1.136 24.414 ( 1.027 -0.000 -0.884) 1.355 24.488 ( -1.318 0.000 -0.575) 1.438 24.553 ( 1.273 -0.000 1.496) 1.964 32.559 ( -0.602 0.000 0.556) 0.819 32.596 ( -0.022 0.000 -1.369) 1.370 32.650 ( -2.102 0.000 -0.484) 2.157 32.756 ( 1.441 -0.000 -0.209) 1.456 40.950 ( -8.425 0.000 -12.224) 14.846 41.374 ( 7.455 -0.000 -0.495) 7.471 41.682 ( -1.778 0.000 0.827) 1.961 41.923 ( 6.851 -0.000 4.151) 8.010 45.066 ( 2.877 -0.000 -4.043) 4.962 45.167 ( 8.338 -0.000 3.655) 9.104 47.537 ( -20.728 0.000 15.117) 25.655 48.159 ( -11.549 0.000 -21.251) 24.186 ======================= Grid point 245 (125/150) ======================= q-point: (-0.25 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -16.041 -0.764 -3.470) 16.430 1.679 ( -14.032 -4.556 -2.030) 14.892 2.279 ( 0.776 0.928 7.856) 7.949 2.533 ( -12.291 6.835 -3.019) 14.384 2.758 ( -14.179 12.318 2.408) 18.936 2.898 ( 3.324 1.999 -3.097) 4.964 3.144 ( -4.881 -8.568 1.647) 9.997 3.284 ( 16.589 -4.136 15.395) 23.006 3.532 ( 3.100 -1.987 -5.671) 6.761 3.594 ( -1.802 0.825 1.140) 2.286 3.618 ( 1.782 6.712 -7.496) 10.218 3.892 ( 2.932 -0.454 -8.046) 8.575 3.957 ( -9.962 6.011 -1.348) 11.713 4.179 ( -10.247 -6.355 -1.117) 12.109 4.225 ( -10.707 -0.858 2.229) 10.971 4.593 ( -1.506 -0.940 4.606) 4.936 4.624 ( 0.390 2.084 -1.537) 2.619 4.805 ( -5.112 -0.007 -4.086) 6.544 4.842 ( -4.868 1.622 -5.926) 7.839 5.031 ( -11.807 1.310 8.441) 14.573 5.386 ( -2.841 0.846 0.194) 2.971 5.568 ( -4.781 -0.694 -2.930) 5.650 5.714 ( 4.388 1.860 5.527) 7.298 5.957 ( -7.349 0.680 0.669) 7.411 6.619 ( -2.273 -2.416 -5.067) 6.057 6.687 ( -1.539 -1.084 -1.722) 2.552 6.709 ( -4.025 -0.438 10.408) 11.167 6.736 ( 0.216 -2.736 -0.446) 2.780 7.239 ( 4.391 4.959 1.310) 6.752 7.447 ( 5.695 -2.827 -1.251) 6.480 7.730 ( -4.780 -0.599 -4.342) 6.486 8.525 ( 5.003 2.105 -4.366) 6.966 9.262 ( -4.359 5.576 19.321) 20.576 9.309 ( -4.662 0.563 16.377) 17.037 9.823 ( 0.215 0.358 -9.342) 9.351 10.082 ( -3.356 2.012 -22.193) 22.535 19.083 ( -2.421 1.337 -0.582) 2.826 19.255 ( -1.182 -1.839 0.453) 2.233 19.350 ( 1.125 0.644 1.060) 1.675 19.369 ( 1.645 -0.461 0.797) 1.885 21.423 ( 1.771 3.612 1.337) 4.239 21.460 ( 1.339 0.662 -0.312) 1.526 21.686 ( 5.092 -2.581 0.310) 5.717 21.803 ( 6.726 -4.329 -0.932) 8.053 24.415 ( 1.035 0.014 0.488) 1.144 24.428 ( 1.235 -0.178 -0.824) 1.495 24.465 ( -1.205 0.140 -0.409) 1.280 24.579 ( 1.375 0.411 1.539) 2.104 32.553 ( -0.599 -0.018 1.009) 1.173 32.595 ( -0.116 -0.890 -1.418) 1.678 32.620 ( -1.681 -0.193 0.134) 1.697 32.766 ( 0.611 0.273 -1.192) 1.367 40.736 ( -11.000 -0.721 -12.046) 16.329 41.468 ( 4.754 -1.415 -4.767) 6.879 41.671 ( 0.232 1.121 2.687) 2.921 42.065 ( 7.790 0.319 7.258) 10.652 45.115 ( 4.674 -2.170 -2.886) 5.906 45.391 ( 10.515 -10.050 1.545) 14.628 47.217 ( -26.112 6.326 13.299) 29.978 47.801 ( -15.525 4.307 -20.373) 25.973 ======================= Grid point 246 (126/150) ======================= q-point: (-0.12 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -9.291 -10.615 5.391) 15.102 1.589 ( -9.126 -5.276 3.520) 11.114 2.063 ( -15.572 12.748 -2.202) 20.245 2.305 ( -5.146 7.147 5.271) 10.264 2.491 ( -6.471 3.937 5.708) 9.485 2.909 ( 1.709 0.678 -2.689) 3.257 3.125 ( -9.731 -3.985 -1.231) 10.587 3.349 ( -8.999 6.280 -12.439) 16.588 3.459 ( 1.295 6.770 -9.152) 11.458 3.503 ( -4.583 -1.028 4.265) 6.344 3.734 ( 2.735 -0.358 8.079) 8.537 3.836 ( 5.465 -8.361 0.672) 10.011 3.952 ( 0.880 -5.482 -2.842) 6.238 4.148 ( -2.703 -3.973 1.085) 4.926 4.164 ( -4.247 -4.011 -2.430) 6.327 4.602 ( 1.803 3.141 1.054) 3.772 4.610 ( -4.408 -2.771 3.015) 6.017 4.694 ( -0.721 1.061 -4.893) 5.058 4.783 ( -2.851 -0.600 -1.928) 3.493 4.865 ( -9.956 2.079 2.803) 10.550 5.349 ( -1.599 0.578 1.910) 2.557 5.545 ( -3.416 -8.765 -5.654) 10.976 5.756 ( 3.802 5.555 5.134) 8.466 5.832 ( -7.169 1.046 0.344) 7.253 6.619 ( -2.010 -6.300 -5.316) 8.485 6.650 ( -9.046 -2.846 4.240) 10.387 6.734 ( 2.693 2.087 7.708) 8.427 6.784 ( 1.346 -4.239 -0.692) 4.501 7.262 ( 5.932 4.234 1.956) 7.546 7.471 ( -1.818 2.617 -2.283) 3.919 7.717 ( 1.580 -3.339 -2.502) 4.461 8.504 ( 0.876 3.845 -5.222) 6.544 9.165 ( -9.252 5.134 17.001) 20.024 9.314 ( -1.401 7.417 15.491) 17.232 9.783 ( 1.226 -1.009 -10.803) 10.919 9.922 ( -0.051 -1.397 -20.086) 20.134 19.032 ( -1.112 1.417 -0.618) 1.904 19.270 ( -1.185 -2.649 0.365) 2.925 19.357 ( 0.962 1.059 0.682) 1.585 19.404 ( 0.896 -0.547 1.536) 1.860 21.412 ( 2.748 4.194 1.308) 5.182 21.459 ( 1.689 2.078 -1.251) 2.955 21.787 ( 3.055 -2.482 0.013) 3.936 21.945 ( 4.362 -3.913 -0.504) 5.881 24.430 ( 0.687 0.046 -0.181) 0.712 24.442 ( 0.210 0.372 0.273) 0.507 24.448 ( 0.083 -0.215 -0.733) 0.769 24.594 ( 0.797 1.043 1.000) 1.650 32.551 ( -0.528 -0.044 0.963) 1.099 32.591 ( -0.736 -0.697 -1.209) 1.578 32.622 ( 0.110 -1.313 1.345) 1.883 32.754 ( -0.176 0.735 -2.067) 2.201 40.563 ( -8.433 -3.842 -3.954) 10.075 41.464 ( 0.768 2.927 -7.385) 7.981 41.710 ( 2.183 -1.598 2.109) 3.430 42.199 ( 5.720 1.777 7.573) 9.655 45.236 ( 5.444 -5.945 -1.431) 8.186 45.726 ( 10.473 -13.961 -0.779) 17.469 46.759 ( -26.643 10.150 8.595) 29.778 47.461 ( -9.972 -1.811 -17.601) 20.310 ======================= Grid point 253 (127/150) ======================= q-point: (-0.25 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -15.393 0.000 1.616) 15.478 1.521 ( -6.694 0.000 2.674) 7.208 2.301 ( -7.321 0.000 -0.159) 7.323 2.486 ( -0.549 0.000 8.238) 8.256 2.538 ( -21.935 0.000 -4.552) 22.403 2.881 ( -17.374 0.000 9.329) 19.720 2.918 ( -6.581 0.000 -5.068) 8.306 3.418 ( -7.325 0.000 -11.695) 13.799 3.541 ( 5.690 -0.000 6.657) 8.757 3.635 ( 7.948 -0.000 6.177) 10.066 3.709 ( 3.922 -0.000 -5.012) 6.364 3.854 ( -15.143 0.000 -2.147) 15.295 3.865 ( -2.689 0.000 -7.752) 8.205 3.949 ( -1.417 0.000 0.082) 1.420 4.108 ( -2.330 0.000 2.044) 3.100 4.561 ( -5.189 0.000 4.702) 7.002 4.582 ( -2.044 0.000 -5.885) 6.230 4.716 ( -7.887 0.000 -5.457) 9.591 4.764 ( 0.712 -0.000 -2.470) 2.571 4.927 ( -8.143 0.000 7.469) 11.050 5.360 ( -1.139 0.000 1.277) 1.711 5.441 ( -7.127 0.000 -5.046) 8.733 5.809 ( -6.893 0.000 -0.101) 6.894 5.876 ( 2.420 -0.000 8.193) 8.543 6.529 ( -1.418 0.000 -7.368) 7.503 6.616 ( -7.552 0.000 5.281) 9.215 6.680 ( 0.403 -0.000 -1.962) 2.003 6.779 ( 1.129 -0.000 8.847) 8.919 7.350 ( 4.657 -0.000 0.993) 4.762 7.495 ( 2.684 -0.000 -1.659) 3.156 7.658 ( -0.078 0.000 -2.548) 2.549 8.554 ( 0.512 -0.000 -4.203) 4.234 9.196 ( -12.727 0.000 16.467) 20.811 9.498 ( 4.765 -0.000 16.484) 17.159 9.790 ( 2.211 -0.000 -10.260) 10.496 9.869 ( -7.267 0.000 -25.963) 26.961 19.062 ( -1.455 0.000 0.033) 1.456 19.220 ( -1.454 0.000 -0.281) 1.481 19.383 ( 0.613 -0.000 2.079) 2.167 19.387 ( 1.615 -0.000 0.074) 1.617 21.473 ( 2.024 -0.000 -0.936) 2.230 21.518 ( 3.249 -0.000 1.633) 3.637 21.743 ( 4.247 -0.000 0.973) 4.357 21.866 ( 6.647 -0.000 -1.538) 6.822 24.431 ( 0.530 -0.000 0.156) 0.552 24.441 ( 1.330 -0.000 -1.166) 1.768 24.450 ( -0.525 0.000 0.099) 0.534 24.612 ( 1.454 -0.000 1.012) 1.771 32.554 ( -0.207 0.000 1.820) 1.831 32.580 ( -0.449 0.000 -0.836) 0.949 32.597 ( -1.023 0.000 0.725) 1.254 32.765 ( 0.104 -0.000 -2.026) 2.029 40.512 ( -9.964 0.000 -5.676) 11.467 41.498 ( 3.866 -0.000 -6.722) 7.755 41.686 ( -0.362 0.000 1.574) 1.615 42.242 ( 7.940 -0.000 11.414) 13.905 45.168 ( 6.093 -0.000 -3.451) 7.003 45.469 ( 8.887 -0.000 1.392) 8.995 46.905 ( -29.379 0.000 11.959) 31.720 47.433 ( -20.612 0.000 -20.985) 29.415 ======================= Grid point 254 (128/150) ======================= q-point: (-0.12 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -6.456 -10.435 13.799) 18.466 1.433 ( -12.263 -0.530 6.297) 13.795 2.001 ( -11.647 9.892 0.086) 15.281 2.252 ( -11.199 -0.290 -1.232) 11.270 2.514 ( -4.373 5.681 6.870) 9.929 2.721 ( -19.270 -14.774 5.886) 24.985 2.820 ( -9.476 -9.709 -1.207) 13.621 3.224 ( -4.625 4.307 -12.237) 13.772 3.383 ( -9.647 12.233 -8.302) 17.653 3.577 ( -1.989 5.078 -3.922) 6.718 3.742 ( -3.708 -2.250 2.091) 4.815 3.841 ( 0.814 -10.807 -5.703) 12.247 3.872 ( 0.116 -5.199 -3.777) 6.428 4.065 ( 6.268 -2.731 9.050) 11.342 4.109 ( 0.217 -0.292 1.013) 1.076 4.463 ( -11.857 -2.422 4.011) 12.750 4.583 ( 0.783 -4.390 -3.225) 5.503 4.637 ( 0.230 -1.996 -3.199) 3.777 4.748 ( -0.941 1.150 -3.504) 3.806 4.847 ( -4.479 4.489 6.114) 8.809 5.338 ( -5.171 -5.278 -5.946) 9.484 5.358 ( 0.323 1.410 0.468) 1.520 5.678 ( -7.996 -3.373 -1.871) 8.877 5.953 ( 3.950 5.779 8.156) 10.748 6.504 ( -0.077 -3.107 -6.646) 7.337 6.517 ( -8.953 -0.228 4.320) 9.943 6.727 ( 1.465 -5.647 -0.639) 5.869 6.844 ( 2.114 1.327 9.225) 9.556 7.412 ( 5.887 2.665 1.467) 6.626 7.461 ( -2.506 2.375 -1.766) 3.878 7.716 ( 4.201 -1.689 -0.560) 4.563 8.482 ( -5.572 1.908 -7.229) 9.324 9.089 ( -13.087 -0.309 15.933) 20.622 9.417 ( -9.343 4.810 -7.279) 12.783 9.780 ( 7.104 0.479 -4.932) 8.661 9.810 ( 3.573 -2.980 -9.643) 10.707 19.040 ( -0.256 1.267 0.263) 1.319 19.214 ( -1.295 -2.494 -0.524) 2.858 19.386 ( 0.168 1.038 1.111) 1.529 19.416 ( 0.763 -0.502 0.681) 1.139 21.483 ( 2.388 2.212 -1.841) 3.739 21.553 ( 3.352 3.063 1.735) 4.861 21.809 ( 2.602 -0.630 0.921) 2.831 21.965 ( 4.428 -2.026 -1.242) 5.025 24.425 ( -0.647 0.061 -0.356) 0.741 24.453 ( 1.073 -0.063 -1.254) 1.652 24.456 ( 0.733 0.273 0.674) 1.033 24.621 ( 0.177 1.208 -0.346) 1.269 32.557 ( -0.046 0.819 1.461) 1.675 32.572 ( -0.522 -0.290 0.351) 0.693 32.611 ( 0.375 -1.950 1.439) 2.452 32.748 ( -0.036 0.647 -2.500) 2.582 40.460 ( 2.087 -2.489 9.657) 10.188 41.489 ( 2.355 2.768 -7.484) 8.320 41.695 ( -0.817 -2.274 -0.300) 2.435 42.384 ( 4.722 4.451 12.777) 14.331 45.254 ( 5.491 -2.290 -1.786) 6.211 45.687 ( 8.208 -12.379 -1.025) 14.888 46.484 ( -28.212 5.347 7.687) 29.726 47.063 ( -18.401 -10.012 -19.121) 28.363 ======================= Grid point 262 (129/150) ======================= q-point: (-0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -2.841 0.000 18.434) 18.651 1.217 ( -22.352 0.000 10.246) 24.588 1.857 ( -21.737 0.000 6.942) 22.819 2.041 ( -4.953 0.000 -2.934) 5.757 2.447 ( -8.219 0.000 7.974) 11.451 2.467 ( -10.598 0.000 -5.604) 11.989 2.596 ( -6.042 0.000 9.582) 11.328 3.158 ( -0.257 0.000 -12.773) 12.775 3.321 ( -9.748 0.000 -5.071) 10.988 3.531 ( -2.205 0.000 -2.202) 3.116 3.585 ( -5.932 0.000 -11.689) 13.108 3.724 ( -0.953 0.000 -7.951) 8.008 3.800 ( -2.098 0.000 -0.122) 2.102 4.144 ( 1.894 -0.000 0.164) 1.901 4.168 ( -6.162 0.000 10.449) 12.131 4.296 ( -5.736 0.000 0.570) 5.765 4.597 ( 4.672 -0.000 -2.726) 5.409 4.614 ( 1.288 -0.000 -0.762) 1.496 4.730 ( 0.607 -0.000 -5.880) 5.912 4.857 ( -4.677 0.000 9.703) 10.771 5.190 ( -1.977 0.000 -4.406) 4.829 5.456 ( 7.497 -0.000 0.317) 7.503 5.505 ( -6.869 0.000 -1.762) 7.091 6.093 ( 2.824 -0.000 5.734) 6.392 6.411 ( -7.868 0.000 3.648) 8.672 6.464 ( 1.385 -0.000 -5.703) 5.868 6.705 ( 1.965 -0.000 -0.568) 2.045 6.920 ( 0.219 -0.000 7.455) 7.458 7.438 ( -1.751 0.000 -0.450) 1.808 7.519 ( 4.978 -0.000 2.428) 5.538 7.790 ( 5.774 -0.000 -0.034) 5.775 8.234 ( -23.181 0.000 -11.441) 25.850 8.967 ( -13.559 0.000 15.093) 20.289 9.221 ( -3.353 0.000 -12.995) 13.421 9.810 ( 5.583 -0.000 -8.387) 10.075 9.916 ( 6.403 -0.000 0.867) 6.462 19.053 ( 0.273 -0.000 0.865) 0.907 19.172 ( -1.058 0.000 -1.252) 1.639 19.392 ( -1.135 0.000 1.597) 1.960 19.423 ( 0.469 -0.000 -0.705) 0.847 21.529 ( 2.624 -0.000 -1.085) 2.839 21.618 ( 1.872 -0.000 0.926) 2.088 21.857 ( 2.491 -0.000 2.430) 3.480 22.010 ( 3.792 -0.000 -1.856) 4.222 24.416 ( -0.376 0.000 -0.224) 0.437 24.460 ( 0.717 -0.000 -1.481) 1.645 24.473 ( 0.667 -0.000 0.640) 0.924 24.611 ( -1.921 0.000 -1.940) 2.730 32.558 ( -0.744 0.000 0.752) 1.058 32.596 ( 1.291 -0.000 1.355) 1.872 32.604 ( 0.363 -0.000 1.469) 1.513 32.742 ( 0.364 -0.000 -2.559) 2.585 40.783 ( 31.920 -0.000 24.033) 39.956 41.510 ( 3.137 -0.000 -8.511) 9.070 41.650 ( -1.993 0.000 0.471) 2.048 42.538 ( -0.426 0.000 15.791) 15.797 45.314 ( 4.933 -0.000 -2.646) 5.597 45.661 ( 2.624 -0.000 -2.307) 3.494 46.173 ( -22.629 0.000 6.524) 23.550 46.545 ( -23.615 0.000 -15.042) 27.999 ======================= Grid point 263 (130/150) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -3.896 0.000 -11.827) 12.452 1.307 ( 3.896 -0.000 11.827) 12.452 1.648 ( 5.548 -0.000 -15.271) 16.247 1.648 ( -5.548 0.000 15.271) 16.247 2.463 ( 2.087 -0.000 -6.913) 7.221 2.463 ( -2.087 0.000 6.913) 7.221 2.755 ( 3.487 -0.000 -4.704) 5.856 2.755 ( -3.487 0.000 4.704) 5.856 3.268 ( 5.383 -0.000 -9.213) 10.670 3.268 ( -5.383 0.000 9.213) 10.670 3.573 ( 4.596 -0.000 -6.300) 7.799 3.573 ( -4.596 0.000 6.300) 7.799 3.860 ( -6.288 0.000 -4.826) 7.926 3.860 ( 6.288 -0.000 4.826) 7.926 4.003 ( -0.578 0.000 -3.110) 3.163 4.003 ( 0.578 -0.000 3.110) 3.163 4.686 ( 5.544 -0.000 -4.389) 7.070 4.686 ( -5.544 0.000 4.389) 7.070 4.725 ( 7.752 -0.000 -3.145) 8.365 4.725 ( -7.752 0.000 3.145) 8.365 5.383 ( -2.916 0.000 -1.580) 3.316 5.383 ( 2.916 -0.000 1.580) 3.316 5.903 ( -16.128 0.000 -2.181) 16.275 5.903 ( 16.128 -0.000 2.181) 16.275 6.413 ( 1.978 -0.000 -2.566) 3.240 6.413 ( -1.978 0.000 2.566) 3.240 6.800 ( -6.698 0.000 0.319) 6.706 6.800 ( 6.698 -0.000 -0.319) 6.706 7.515 ( -8.165 0.000 -0.859) 8.211 7.515 ( 8.165 -0.000 0.859) 8.211 7.799 ( 0.709 -0.000 -7.408) 7.442 7.799 ( -0.709 0.000 7.408) 7.442 9.028 ( 13.930 -0.000 -16.867) 21.876 9.028 ( -13.930 0.000 16.867) 21.876 9.860 ( -6.854 0.000 1.045) 6.933 9.860 ( 6.854 -0.000 -1.045) 6.933 19.101 ( -0.542 0.000 -1.541) 1.634 19.101 ( 0.542 -0.000 1.541) 1.634 19.396 ( 0.932 -0.000 -1.352) 1.642 19.396 ( -0.932 0.000 1.352) 1.642 21.617 ( -2.162 0.000 -0.507) 2.221 21.617 ( 2.162 -0.000 0.507) 2.221 21.993 ( -0.265 0.000 -2.742) 2.755 21.993 ( 0.265 -0.000 2.742) 2.755 24.422 ( -0.565 0.000 -0.518) 0.766 24.422 ( 0.565 -0.000 0.518) 0.766 24.512 ( -1.032 0.000 -0.688) 1.241 24.512 ( 1.032 -0.000 0.688) 1.241 32.587 ( 0.511 -0.000 -2.034) 2.097 32.587 ( -0.511 0.000 2.034) 2.097 32.678 ( -0.660 0.000 -1.888) 2.000 32.678 ( 0.660 -0.000 1.888) 2.000 41.433 ( 3.728 -0.000 -2.489) 4.483 41.433 ( -3.728 0.000 2.489) 4.483 42.559 ( -33.261 0.000 8.237) 34.266 42.559 ( 33.261 -0.000 -8.237) 34.266 45.418 ( -6.851 0.000 -2.134) 7.175 45.418 ( 6.851 -0.000 2.134) 7.175 45.968 ( -2.198 0.000 -0.526) 2.260 45.968 ( 2.198 -0.000 0.526) 2.260 ======================= Grid point 265 (131/150) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 2.974 -13.011 -12.058) 17.987 1.559 ( 3.761 -16.877 -0.437) 17.296 1.808 ( 8.600 -7.065 8.318) 13.895 1.872 ( 16.984 -14.246 -9.452) 24.098 2.444 ( 2.001 -0.295 -5.106) 5.492 2.480 ( -3.454 -8.747 0.110) 9.405 2.736 ( -0.400 5.920 9.200) 10.948 2.865 ( 6.673 -6.235 -4.929) 10.378 3.168 ( -4.132 4.719 5.875) 8.594 3.321 ( 5.376 -2.019 4.368) 7.215 3.470 ( -6.049 1.208 -2.763) 6.759 3.637 ( 1.758 -6.465 -0.872) 6.756 3.811 ( 1.079 0.893 -0.613) 1.529 4.076 ( 11.771 -3.637 6.456) 13.910 4.109 ( 4.125 -7.650 0.107) 8.692 4.152 ( 7.386 -7.187 3.115) 10.766 4.541 ( -6.868 5.229 3.960) 9.497 4.662 ( -4.362 -0.277 1.656) 4.673 4.714 ( -1.350 -2.791 -1.316) 3.368 4.847 ( 12.615 4.379 -4.958) 14.244 5.324 ( -3.911 -0.827 -3.232) 5.141 5.401 ( 1.329 3.559 -1.796) 4.202 5.686 ( -12.275 -6.173 -0.326) 13.743 6.065 ( 7.462 5.428 0.112) 9.228 6.398 ( -2.026 -0.861 2.780) 3.546 6.432 ( 3.346 -0.726 -3.888) 5.181 6.759 ( -2.295 -3.716 1.184) 4.526 6.913 ( 6.959 0.507 0.415) 6.990 7.428 ( -3.409 1.187 0.524) 3.647 7.639 ( 3.800 4.842 3.430) 7.046 7.761 ( 1.296 -0.082 -8.189) 8.292 7.867 ( 3.999 -7.133 6.295) 10.320 8.963 ( -10.755 -4.875 16.498) 20.289 9.183 ( 14.541 -4.111 -17.199) 22.894 9.752 ( -8.307 0.635 3.875) 9.188 9.928 ( 3.546 1.452 -1.012) 3.963 19.082 ( -1.101 0.265 -1.294) 1.720 19.138 ( 1.494 -2.301 1.499) 3.127 19.388 ( -0.411 0.815 1.044) 1.387 19.409 ( 1.398 -0.177 -0.688) 1.568 21.554 ( -4.171 2.249 -0.171) 4.742 21.635 ( 0.418 0.378 0.151) 0.584 21.930 ( -2.280 4.386 -1.756) 5.246 21.990 ( 0.123 1.465 1.264) 1.938 24.412 ( -0.284 0.169 -0.053) 0.335 24.431 ( 0.221 0.125 0.865) 0.902 24.495 ( -0.705 0.199 -0.570) 0.928 24.537 ( 1.718 0.166 1.129) 2.062 32.585 ( 0.073 -0.026 -1.015) 1.018 32.596 ( 0.340 -0.375 0.484) 0.700 32.658 ( -0.702 -0.163 -1.650) 1.800 32.695 ( 0.183 -0.121 1.458) 1.474 41.370 ( -5.831 2.917 2.238) 6.893 41.464 ( -1.555 -1.860 0.162) 2.430 41.930 ( -30.601 11.103 -8.274) 33.588 42.727 ( 14.824 17.736 -12.360) 26.212 45.381 ( -4.250 -5.060 -2.196) 6.963 45.698 ( 12.116 -17.252 2.900) 21.280 45.962 ( 0.442 0.184 -1.182) 1.275 46.236 ( 13.285 -19.281 3.704) 23.706 ======================= Grid point 266 (132/150) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 4.540 -10.892 -8.631) 14.620 1.790 ( -0.681 -17.818 -7.231) 19.242 1.981 ( -0.061 -1.512 -3.188) 3.529 2.109 ( 3.424 -3.122 1.090) 4.760 2.469 ( 1.096 -2.266 -6.684) 7.142 2.679 ( 0.298 9.195 12.374) 15.419 2.767 ( 14.983 -18.153 -0.888) 23.554 3.028 ( 2.888 -5.690 2.225) 6.758 3.170 ( 0.398 -9.360 -5.899) 11.071 3.335 ( 2.393 5.443 6.446) 8.770 3.665 ( 11.169 -14.865 8.777) 20.561 3.732 ( -0.285 -3.112 -0.221) 3.133 3.828 ( 3.537 1.888 0.407) 4.030 4.173 ( -0.554 -0.024 -2.047) 2.121 4.284 ( 3.354 -4.613 2.871) 6.385 4.371 ( 9.022 -4.445 -2.369) 10.333 4.490 ( 3.302 2.828 5.763) 7.219 4.662 ( -2.244 -8.091 3.906) 9.260 4.717 ( -2.102 -3.522 -1.733) 4.453 4.878 ( 4.421 8.253 -5.921) 11.077 5.276 ( -2.621 -3.164 3.051) 5.118 5.374 ( 2.148 -0.398 -3.065) 3.764 5.697 ( -1.494 -7.439 -1.173) 7.678 6.019 ( 1.922 8.309 -3.871) 9.365 6.425 ( -0.618 -4.385 4.188) 6.095 6.505 ( 6.483 -1.974 -4.107) 7.924 6.816 ( -0.019 -5.305 0.800) 5.365 6.960 ( 2.138 2.939 -1.048) 3.783 7.367 ( -1.596 3.572 1.270) 4.113 7.541 ( -5.834 3.355 -1.908) 6.995 7.745 ( 0.267 0.437 -2.334) 2.389 8.129 ( 11.078 -3.408 6.980) 13.530 9.012 ( -5.982 -7.357 17.575) 19.970 9.366 ( 13.275 -5.390 -17.265) 22.435 9.652 ( -8.218 0.174 8.543) 11.855 9.903 ( -0.666 3.599 -4.387) 5.713 19.049 ( -1.488 0.655 -1.114) 1.970 19.211 ( 1.777 -3.356 1.383) 4.042 19.374 ( -0.265 1.262 0.836) 1.537 19.429 ( 1.191 -0.029 -0.373) 1.248 21.445 ( -4.330 3.796 1.009) 5.846 21.601 ( -2.821 2.719 -1.087) 4.066 21.838 ( -0.602 3.506 -0.524) 3.596 21.987 ( 0.823 0.709 0.339) 1.138 24.410 ( 0.312 0.185 0.142) 0.389 24.435 ( -0.169 -0.022 0.933) 0.949 24.477 ( -0.706 0.396 -0.606) 1.011 24.565 ( 1.563 0.537 1.281) 2.091 32.576 ( -0.446 0.329 -0.538) 0.772 32.604 ( 0.541 -0.144 -1.920) 2.000 32.652 ( -0.105 -0.546 0.620) 0.833 32.701 ( -0.365 -0.444 0.291) 0.644 41.056 ( -19.510 6.297 -11.807) 23.658 41.393 ( -7.007 -1.501 -0.179) 7.168 41.654 ( 3.048 1.718 -0.491) 3.533 42.545 ( 3.677 18.524 -8.130) 20.561 45.369 ( -2.393 -2.418 -1.914) 3.904 45.958 ( -1.574 -2.162 -1.561) 3.096 46.146 ( 14.201 -15.912 -0.082) 21.327 46.764 ( 11.835 -23.152 7.326) 27.014 ======================= Grid point 267 (133/150) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 2.957 -7.998 -6.013) 10.434 1.872 ( -4.534 1.725 -0.529) 4.880 1.938 ( -2.847 -12.234 -8.361) 15.089 2.211 ( 4.506 -0.116 2.421) 5.117 2.467 ( 0.731 1.302 -0.293) 1.521 2.610 ( -0.019 6.026 3.477) 6.958 3.047 ( 0.389 0.901 3.126) 3.276 3.192 ( 6.180 -12.635 -1.496) 14.145 3.248 ( -0.470 -3.484 3.056) 4.658 3.470 ( 3.827 -4.235 1.294) 5.853 3.721 ( 6.821 0.671 -4.453) 8.174 3.872 ( 0.643 -0.330 4.661) 4.717 4.043 ( 7.739 -10.614 6.378) 14.603 4.189 ( 1.917 -2.347 -2.872) 4.176 4.315 ( -7.464 -7.237 -2.155) 10.617 4.449 ( 11.933 12.294 -1.754) 17.222 4.580 ( -0.293 0.413 5.486) 5.510 4.704 ( 0.272 -0.809 -0.726) 1.121 4.753 ( -2.028 -2.088 -3.786) 4.776 4.828 ( -0.306 -6.928 1.139) 7.028 5.345 ( 3.555 -0.394 1.978) 4.088 5.471 ( 2.783 -8.757 4.193) 10.101 5.759 ( 0.583 -3.517 -1.816) 4.001 5.889 ( -0.473 8.874 -6.923) 11.265 6.546 ( 1.456 -8.270 5.746) 10.176 6.634 ( 9.494 -2.745 -3.434) 10.462 6.850 ( -0.510 2.156 -2.910) 3.657 6.911 ( -3.756 -0.243 -0.308) 3.777 7.293 ( -1.152 5.664 1.846) 6.067 7.417 ( -4.349 0.689 -2.536) 5.081 7.737 ( -0.065 -0.247 -0.811) 0.850 8.298 ( 5.237 0.355 4.105) 6.663 9.136 ( -1.802 -5.210 15.932) 16.859 9.505 ( 9.618 -2.132 -17.363) 19.963 9.608 ( -6.416 -1.954 12.455) 14.146 9.785 ( -2.616 4.295 -6.716) 8.390 19.016 ( -1.033 0.506 -0.657) 1.325 19.283 ( 1.483 -2.606 0.808) 3.105 19.358 ( -0.547 0.933 0.634) 1.253 19.435 ( 0.424 0.533 -0.466) 0.825 21.367 ( -1.773 1.957 2.523) 3.652 21.486 ( -3.691 4.055 -2.325) 5.956 21.819 ( 0.764 0.611 0.090) 0.982 21.996 ( 0.715 0.110 0.054) 0.725 24.417 ( 0.687 0.163 0.097) 0.713 24.438 ( -0.409 -0.305 0.889) 1.025 24.459 ( -0.559 0.463 -0.666) 0.985 24.581 ( 0.782 0.523 0.755) 1.206 32.564 ( -0.101 0.208 -0.505) 0.555 32.596 ( -0.095 0.046 -1.755) 1.758 32.669 ( 0.599 -0.041 2.000) 2.088 32.699 ( -0.689 -0.775 -1.115) 1.522 40.742 ( -8.117 0.439 -9.687) 12.646 41.322 ( -3.245 0.602 0.120) 3.303 41.716 ( 2.949 -1.013 2.501) 3.997 42.335 ( 0.068 10.992 -4.553) 11.898 45.356 ( -0.958 -0.749 -1.118) 1.652 45.954 ( -0.527 -0.756 -1.064) 1.408 46.482 ( 7.955 -9.383 -1.129) 12.353 47.187 ( 5.666 -14.054 5.989) 16.294 ======================= Grid point 268 (134/150) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.000 -0.000 -0.000) 0.000 1.809 ( -0.000 0.000 0.000) 0.000 1.989 ( -0.000 0.000 0.000) 0.000 2.247 ( -0.000 0.000 0.000) 0.000 2.463 ( -0.000 0.000 0.000) 0.000 2.578 ( -0.000 -0.000 0.000) 0.000 3.051 ( -0.000 -0.000 -0.000) 0.000 3.245 ( -0.000 0.000 0.000) 0.000 3.342 ( -0.000 0.000 0.000) 0.000 3.493 ( -0.000 0.000 0.000) 0.000 3.814 ( -0.000 0.000 0.000) 0.000 3.900 ( -0.000 0.000 0.000) 0.000 4.188 ( -0.000 0.000 0.000) 0.000 4.229 ( -0.000 0.000 0.000) 0.000 4.325 ( -0.000 0.000 0.000) 0.000 4.384 ( -0.000 0.000 0.000) 0.000 4.553 ( -0.000 -0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.787 ( -0.000 -0.000 0.000) 0.000 4.880 ( -0.000 0.000 0.000) 0.000 5.381 ( -0.000 0.000 0.000) 0.000 5.655 ( -0.000 0.000 0.000) 0.000 5.724 ( -0.000 0.000 0.000) 0.000 5.782 ( -0.000 0.000 0.000) 0.000 6.699 ( -0.000 -0.000 0.000) 0.000 6.738 ( -0.000 0.000 -0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.843 ( -0.000 0.000 0.000) 0.000 7.244 ( -0.000 0.000 0.000) 0.000 7.375 ( -0.000 0.000 0.000) 0.000 7.737 ( -0.000 0.000 0.000) 0.000 8.342 ( -0.000 0.000 0.000) 0.000 9.214 ( -0.000 0.000 0.000) 0.000 9.531 ( -0.000 0.000 0.000) 0.000 9.608 ( -0.000 0.000 0.000) 0.000 9.713 ( -0.000 0.000 0.000) 0.000 19.003 ( -0.000 0.000 0.000) 0.000 19.322 ( -0.000 0.000 0.000) 0.000 19.342 ( -0.000 0.000 0.000) 0.000 19.431 ( -0.000 0.000 0.000) 0.000 21.362 ( -0.000 0.000 0.000) 0.000 21.407 ( -0.000 -0.000 0.000) 0.000 21.823 ( -0.000 0.000 0.000) 0.000 22.001 ( -0.000 0.000 0.000) 0.000 24.423 ( -0.000 0.000 0.000) 0.000 24.442 ( -0.000 0.000 -0.000) 0.000 24.445 ( -0.000 -0.000 0.000) 0.000 24.585 ( -0.000 0.000 0.000) 0.000 32.562 ( -0.000 -0.000 -0.000) 0.000 32.589 ( -0.000 0.000 0.000) 0.000 32.685 ( -0.000 -0.000 -0.000) 0.000 32.691 ( 0.000 0.000 0.000) 0.000 40.661 ( -0.000 0.000 0.000) 0.000 41.292 ( -0.000 0.000 0.000) 0.000 41.758 ( -0.000 -0.000 0.000) 0.000 42.245 ( -0.000 0.000 0.000) 0.000 45.350 ( -0.000 0.000 0.000) 0.000 45.952 ( 0.000 0.000 0.000) 0.000 46.602 ( -0.000 -0.000 0.000) 0.000 47.339 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 274 (135/150) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 16.653 -0.000 -10.356) 19.610 1.511 ( 5.757 -0.000 -12.342) 13.619 1.988 ( 14.753 -0.000 -7.352) 16.484 1.995 ( 14.829 -0.000 3.006) 15.130 2.384 ( 2.672 -0.000 2.039) 3.361 2.505 ( 10.661 -0.000 -2.650) 10.985 2.875 ( 8.098 -0.000 -13.473) 15.719 2.892 ( 1.352 -0.000 14.327) 14.391 3.265 ( 2.261 -0.000 -0.184) 2.268 3.279 ( 3.078 -0.000 15.214) 15.523 3.504 ( -1.141 0.000 12.343) 12.395 3.567 ( 0.671 -0.000 -2.064) 2.170 3.836 ( 2.299 -0.000 -2.369) 3.301 4.128 ( 0.421 -0.000 1.551) 1.607 4.242 ( 6.668 -0.000 5.562) 8.683 4.279 ( 13.926 -0.000 -0.792) 13.948 4.549 ( 0.560 -0.000 3.122) 3.172 4.627 ( -4.415 0.000 4.031) 5.978 4.628 ( -2.939 0.000 -2.304) 3.735 5.042 ( 11.833 -0.000 -7.129) 13.814 5.190 ( -7.511 0.000 -5.693) 9.424 5.457 ( -6.273 0.000 0.146) 6.275 5.502 ( 6.613 -0.000 -1.228) 6.726 6.174 ( 1.314 -0.000 -2.378) 2.717 6.375 ( -2.063 0.000 3.328) 3.916 6.480 ( 6.596 -0.000 -3.389) 7.416 6.698 ( -1.793 0.000 0.266) 1.813 7.002 ( 3.557 -0.000 -1.378) 3.815 7.420 ( -0.336 0.000 1.753) 1.785 7.594 ( -7.395 0.000 -4.201) 8.505 7.748 ( -6.037 0.000 4.072) 7.282 8.072 ( 21.642 -0.000 5.376) 22.300 8.911 ( -3.335 0.000 17.785) 18.095 9.288 ( 15.048 -0.000 -17.114) 22.789 9.658 ( -8.013 0.000 6.091) 10.066 9.953 ( -0.643 0.000 -2.365) 2.451 19.074 ( -0.283 0.000 -1.316) 1.346 19.146 ( 1.414 -0.000 1.453) 2.027 19.399 ( -0.321 0.000 1.642) 1.673 19.419 ( 1.151 -0.000 -1.237) 1.690 21.514 ( -3.685 0.000 0.387) 3.705 21.628 ( -1.467 0.000 -0.085) 1.469 21.913 ( -2.652 0.000 -3.145) 4.114 21.970 ( -3.674 0.000 2.261) 4.314 24.413 ( 0.246 -0.000 0.115) 0.272 24.434 ( -0.579 0.000 1.144) 1.282 24.484 ( -0.705 0.000 -0.528) 0.881 24.575 ( 1.848 -0.000 1.807) 2.585 32.583 ( 0.512 -0.000 -1.764) 1.837 32.603 ( 0.405 -0.000 0.598) 0.722 32.636 ( -0.561 0.000 -1.965) 2.043 32.699 ( -0.581 0.000 1.767) 1.860 41.166 ( -27.035 0.000 -15.201) 31.016 41.360 ( -3.762 0.000 6.469) 7.484 41.692 ( -2.454 0.000 -4.121) 4.796 42.866 ( 0.278 -0.000 -17.907) 17.909 45.274 ( -5.225 0.000 1.209) 5.364 45.614 ( -0.980 0.000 2.435) 2.625 46.301 ( 27.852 -0.000 -6.716) 28.650 46.325 ( 17.776 -0.000 8.506) 19.706 ======================= Grid point 275 (136/150) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 3.177 -9.144 -15.006) 17.857 1.576 ( 7.770 -1.618 -8.586) 11.692 2.031 ( 7.334 8.992 -3.040) 11.995 2.245 ( 12.991 0.117 -0.866) 13.020 2.529 ( 9.509 2.571 3.953) 10.615 2.794 ( 14.567 -11.685 -2.666) 18.863 2.901 ( 4.080 5.035 0.701) 6.519 3.024 ( 8.673 -6.928 -0.012) 11.100 3.192 ( 4.247 12.675 9.854) 16.607 3.490 ( 1.355 5.112 8.386) 9.915 3.641 ( 6.474 -10.840 10.551) 16.454 3.669 ( 1.846 -10.587 6.231) 12.422 3.892 ( 5.230 -3.519 -4.498) 7.744 4.124 ( -0.417 -1.647 -0.192) 1.709 4.242 ( -6.489 0.798 -5.468) 8.523 4.501 ( 10.379 -1.676 1.684) 10.647 4.517 ( -3.318 -2.444 1.102) 4.266 4.618 ( 3.989 -0.628 0.527) 4.072 4.682 ( 1.874 -3.770 2.557) 4.926 4.980 ( -0.839 6.993 -7.209) 10.079 5.238 ( 6.101 -2.865 3.010) 7.382 5.413 ( 3.502 1.302 -4.393) 5.767 5.658 ( 7.614 -4.283 -0.098) 8.736 6.096 ( -1.427 6.023 -6.216) 8.773 6.390 ( -0.615 -2.938 4.692) 5.570 6.584 ( 8.376 -0.798 -2.778) 8.861 6.718 ( -1.767 -5.928 0.410) 6.199 6.993 ( -0.174 2.218 -5.534) 5.964 7.416 ( -0.605 2.901 2.554) 3.912 7.454 ( -5.976 1.446 -2.383) 6.594 7.688 ( -5.397 -2.270 2.309) 6.294 8.343 ( 9.387 1.695 6.094) 11.320 9.063 ( 6.882 -0.953 21.852) 22.930 9.436 ( 14.746 -1.941 -17.505) 22.970 9.587 ( -7.035 -0.190 10.016) 12.241 9.879 ( -3.690 2.250 -6.810) 8.066 19.051 ( 0.010 1.770 -0.925) 1.998 19.200 ( 1.751 -2.920 0.978) 3.543 19.388 ( -0.800 1.183 0.849) 1.662 19.431 ( 0.286 -0.670 -0.936) 1.186 21.447 ( -2.778 3.033 1.619) 4.420 21.583 ( -2.989 1.995 -1.166) 3.778 21.832 ( -3.361 1.472 -1.178) 3.854 21.945 ( -3.876 -3.360 0.663) 5.172 24.420 ( 0.598 0.093 0.204) 0.639 24.429 ( -0.900 -0.224 1.127) 1.459 24.468 ( -0.765 0.198 -0.564) 0.971 24.601 ( 0.764 0.662 1.500) 1.808 32.577 ( 0.237 0.630 -1.062) 1.258 32.599 ( -0.007 0.398 -1.885) 1.927 32.637 ( -0.030 -1.805 -0.971) 2.050 32.700 ( -0.252 0.325 2.211) 2.249 40.743 ( -12.853 -0.003 -17.017) 21.326 41.343 ( -3.376 0.582 7.013) 7.805 41.694 ( 1.985 -0.449 -0.642) 2.134 42.648 ( -6.110 9.203 -14.081) 17.897 45.232 ( -6.122 -5.450 0.281) 8.201 45.655 ( -7.473 -11.747 2.135) 14.085 46.569 ( 26.217 9.303 2.840) 27.963 46.846 ( 25.202 -11.353 -0.350) 27.644 ======================= Grid point 276 (137/150) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 2.993 -5.878 -9.319) 11.417 1.694 ( 4.719 -11.273 -8.482) 14.876 2.023 ( 11.041 11.798 1.799) 16.258 2.378 ( 11.239 5.854 -2.721) 12.961 2.579 ( 6.035 6.794 -1.558) 9.220 2.863 ( 0.951 9.404 4.356) 10.407 2.992 ( 4.080 1.082 6.923) 8.109 3.226 ( 6.340 -1.596 6.479) 9.204 3.275 ( 3.645 -1.323 3.383) 5.146 3.521 ( 4.100 0.342 3.454) 5.372 3.734 ( 0.327 -3.426 3.102) 4.633 3.891 ( 0.631 -5.036 5.087) 7.185 3.978 ( -6.447 -6.210 -9.479) 13.038 4.133 ( 2.722 -4.351 -1.767) 5.428 4.205 ( 5.986 -1.879 -2.736) 6.845 4.538 ( -3.287 -3.704 7.943) 9.360 4.616 ( -1.249 -1.648 -2.148) 2.982 4.710 ( 2.718 0.743 -4.306) 5.146 4.737 ( 3.952 -0.959 3.161) 5.151 4.925 ( 11.554 6.968 -1.907) 13.627 5.405 ( 4.774 -5.146 6.616) 9.646 5.439 ( 4.384 -0.210 -6.023) 7.452 5.792 ( 5.802 0.422 0.174) 5.820 5.938 ( -1.977 7.369 -8.504) 11.425 6.497 ( 1.643 -7.244 6.166) 9.653 6.707 ( 3.793 -3.567 -1.331) 5.374 6.776 ( 0.269 -4.674 -0.157) 4.684 6.900 ( -0.426 4.510 -7.850) 9.063 7.289 ( -6.673 3.477 -0.792) 7.566 7.422 ( 0.800 2.153 2.507) 3.400 7.676 ( -3.054 -3.494 1.911) 5.018 8.402 ( 0.633 3.096 4.384) 5.405 9.285 ( 9.336 4.197 17.111) 19.939 9.524 ( 1.531 -0.353 -5.136) 5.371 9.598 ( 3.779 -0.636 -0.107) 3.834 9.746 ( -2.535 2.141 -6.896) 7.653 19.029 ( 0.835 1.854 -0.305) 2.056 19.271 ( 1.594 -3.071 0.352) 3.478 19.361 ( -1.110 1.066 0.313) 1.570 19.429 ( -0.797 -0.369 -1.031) 1.354 21.391 ( -0.809 2.377 2.415) 3.484 21.478 ( -3.154 4.221 -2.230) 5.722 21.788 ( -3.217 -2.074 0.044) 3.828 21.940 ( -3.987 -4.354 -0.032) 5.903 24.420 ( -0.901 -0.162 0.739) 1.176 24.434 ( 0.370 -0.225 0.389) 0.582 24.453 ( -0.357 0.234 -0.541) 0.690 24.598 ( -0.253 0.840 0.429) 0.977 32.568 ( 0.309 0.527 -0.709) 0.936 32.587 ( -0.091 -0.074 -0.935) 0.942 32.653 ( -0.269 -1.740 -1.702) 2.449 32.709 ( 0.567 0.657 2.523) 2.668 40.616 ( 0.942 -2.546 -7.922) 8.374 41.320 ( -2.309 1.555 6.877) 7.419 41.729 ( 0.554 -1.514 -0.181) 1.623 42.369 ( -6.692 7.376 -9.513) 13.772 45.226 ( -5.939 -7.328 -0.522) 9.446 45.698 ( -10.569 -13.628 2.033) 17.365 46.822 ( 21.882 12.079 5.051) 25.500 47.293 ( 20.994 -3.778 -3.492) 21.615 ======================= Grid point 277 (138/150) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 6.088 -3.874 -4.334) 8.417 1.891 ( 6.062 -10.043 -2.967) 12.100 2.052 ( 11.875 13.725 3.570) 18.497 2.403 ( 9.473 8.340 -7.137) 14.499 2.542 ( 3.602 9.175 -1.821) 10.024 2.774 ( 0.446 10.798 9.639) 14.481 3.046 ( 2.153 3.403 5.260) 6.624 3.260 ( -0.646 1.713 -1.758) 2.538 3.352 ( 0.735 -4.504 6.692) 8.099 3.536 ( 0.339 6.895 1.944) 7.172 3.802 ( -2.455 -1.716 3.891) 4.910 3.829 ( -5.333 -1.749 -6.874) 8.874 3.989 ( -8.169 -13.223 -2.244) 15.704 4.226 ( 1.497 1.597 -0.934) 2.380 4.293 ( 5.529 1.602 -1.517) 5.953 4.522 ( -1.182 6.306 0.626) 6.446 4.575 ( 1.605 -0.230 5.955) 6.172 4.691 ( -0.206 1.609 -3.885) 4.210 4.807 ( 1.498 0.127 1.562) 2.168 5.028 ( 11.342 6.604 -2.370) 13.337 5.403 ( 0.780 4.219 -5.332) 6.844 5.625 ( 3.002 -9.426 7.759) 12.572 5.705 ( -4.130 7.826 -9.541) 13.013 5.880 ( 4.685 4.303 1.617) 6.564 6.654 ( -0.573 -6.038 6.523) 8.907 6.696 ( -5.349 -0.740 0.257) 5.406 6.766 ( -1.161 4.882 -4.502) 6.742 6.906 ( 6.076 -2.243 -4.124) 7.678 7.183 ( -2.752 -1.250 -1.129) 3.227 7.428 ( 0.442 0.716 3.141) 3.252 7.699 ( -0.585 -2.136 2.719) 3.507 8.351 ( -3.492 3.580 1.473) 5.213 9.348 ( 8.331 10.485 -8.777) 16.011 9.522 ( -2.269 -0.043 6.316) 6.711 9.642 ( 2.034 -2.275 5.510) 6.299 9.725 ( 3.584 2.000 -3.615) 5.469 19.029 ( 1.962 1.385 0.403) 2.436 19.315 ( -0.126 -0.656 -0.378) 0.767 19.340 ( -0.081 -0.139 -0.268) 0.312 19.412 ( -1.449 -0.838 -0.648) 1.795 21.369 ( -0.012 1.948 -1.971) 2.772 21.421 ( 1.360 -0.483 1.843) 2.341 21.770 ( -4.015 -3.052 0.064) 5.043 21.933 ( -4.642 -4.460 -0.178) 6.440 24.412 ( -0.933 -0.219 0.378) 1.030 24.435 ( -0.758 -0.429 -0.154) 0.884 24.455 ( 1.101 0.205 0.088) 1.123 24.581 ( -0.813 0.483 -0.395) 1.025 32.565 ( 0.332 0.253 -0.111) 0.432 32.591 ( 0.185 -0.384 0.706) 0.824 32.656 ( -0.160 -0.842 -1.893) 2.078 32.722 ( 0.481 0.693 1.980) 2.153 40.701 ( 7.198 -2.604 1.185) 7.745 41.324 ( 0.208 0.619 7.389) 7.417 41.726 ( -2.183 -0.456 -3.087) 3.808 42.186 ( -5.585 -0.206 -4.826) 7.384 45.242 ( -4.626 -7.746 -0.170) 9.024 45.716 ( -12.059 -13.359 1.979) 18.105 46.935 ( 15.520 19.105 7.844) 25.834 47.500 ( 14.457 8.365 -9.237) 19.087 ======================= Grid point 278 (139/150) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 8.712 3.373 1.183) 9.417 2.035 ( 7.889 9.994 5.920) 14.041 2.083 ( 7.262 -0.458 0.401) 7.287 2.362 ( 9.699 18.245 -7.125) 21.857 2.471 ( 2.450 0.465 -4.291) 4.962 2.674 ( -3.861 8.766 9.130) 13.233 3.014 ( -1.339 2.986 -1.917) 3.793 3.241 ( 0.924 0.887 -2.995) 3.257 3.380 ( -1.184 14.658 -0.619) 14.719 3.497 ( 2.875 -5.367 6.464) 8.880 3.623 ( -8.758 10.024 6.416) 14.777 3.818 ( -6.151 -2.728 -3.476) 7.574 3.975 ( -6.089 -0.929 -5.987) 8.590 4.092 ( -9.258 -0.134 0.087) 9.259 4.319 ( 1.676 3.983 4.437) 6.194 4.487 ( 4.150 3.956 0.359) 5.745 4.557 ( -2.728 4.913 -5.449) 7.828 4.688 ( -0.453 -1.830 1.270) 2.273 4.818 ( 2.705 3.658 2.060) 4.993 5.015 ( 4.643 11.388 -2.946) 12.646 5.314 ( -1.173 3.132 -3.288) 4.690 5.496 ( -3.094 6.740 -7.066) 10.243 5.805 ( 0.404 -7.177 6.988) 10.025 5.874 ( 2.396 5.689 1.139) 6.277 6.564 ( -5.365 3.812 2.300) 6.972 6.613 ( -1.706 7.004 -2.837) 7.747 6.805 ( -0.651 -5.237 3.745) 6.471 6.926 ( -1.697 -0.566 -4.347) 4.701 7.251 ( 4.465 -5.092 -1.178) 6.874 7.454 ( -0.773 -2.785 3.026) 4.184 7.740 ( 1.920 0.418 4.653) 5.051 8.225 ( -5.998 3.997 -3.202) 7.887 9.259 ( 9.764 10.633 -18.091) 23.145 9.497 ( -8.254 2.748 16.572) 18.717 9.693 ( 7.551 4.445 -10.527) 13.697 9.787 ( 0.742 -4.501 8.489) 9.637 19.054 ( 2.887 0.986 1.061) 3.230 19.284 ( -1.667 1.908 -1.206) 2.806 19.345 ( -0.048 -0.839 -0.701) 1.095 19.409 ( -1.252 -1.550 -0.097) 1.995 21.373 ( 3.305 -1.173 -1.771) 3.929 21.507 ( 4.187 -3.502 1.848) 5.763 21.747 ( -4.584 -3.697 -0.123) 5.891 21.916 ( -5.268 -4.523 -0.228) 6.947 24.404 ( -0.520 -0.247 0.036) 0.577 24.429 ( -0.780 -0.524 -0.295) 0.985 24.472 ( 1.137 0.055 0.362) 1.195 24.559 ( -1.185 0.130 -0.798) 1.434 32.572 ( 0.885 0.032 0.038) 0.886 32.604 ( -0.292 -0.313 2.001) 2.046 32.654 ( 0.467 -0.176 -1.553) 1.631 32.722 ( -0.271 0.828 0.998) 1.325 40.909 ( 12.125 -4.548 6.689) 14.575 41.403 ( 4.325 -1.186 8.876) 9.944 41.641 ( -4.734 0.942 -5.830) 7.568 42.150 ( -6.476 -9.543 -1.808) 11.673 45.292 ( -1.781 -7.183 0.650) 7.429 45.705 ( -13.307 -12.475 1.487) 18.300 46.871 ( 10.539 27.838 10.571) 31.588 47.395 ( 6.167 21.627 -14.461) 26.737 ======================= Grid point 279 (140/150) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 8.499 18.939 5.701) 21.527 2.039 ( -0.786 8.722 3.596) 9.467 2.132 ( 6.124 16.201 0.970) 17.347 2.216 ( 6.242 10.079 -3.241) 12.290 2.516 ( -0.503 3.463 -2.574) 4.345 2.537 ( -4.646 -0.550 -0.024) 4.679 2.907 ( 2.446 12.309 1.596) 12.651 3.144 ( 2.194 14.423 -3.817) 15.080 3.200 ( -6.597 1.718 0.769) 6.861 3.337 ( -7.614 15.307 -0.627) 17.108 3.535 ( -4.945 1.177 2.502) 5.666 3.737 ( -6.087 -1.251 -1.854) 6.485 3.863 ( 4.856 5.169 2.549) 7.536 4.073 ( -4.701 -6.734 -1.463) 8.342 4.293 ( -2.774 2.694 5.813) 6.981 4.372 ( -4.620 6.497 -7.994) 11.290 4.486 ( 4.562 6.191 -0.965) 7.750 4.679 ( -4.909 -3.641 -0.013) 6.112 4.791 ( 2.749 7.945 -1.327) 8.511 4.872 ( -1.639 9.663 0.266) 9.804 5.307 ( 2.721 -1.065 0.790) 3.026 5.386 ( -0.802 2.198 -2.342) 3.311 5.837 ( 3.353 4.757 -0.376) 5.832 5.903 ( -2.660 -5.360 3.905) 7.145 6.473 ( 0.077 4.428 -1.355) 4.632 6.500 ( -2.380 4.864 1.957) 5.758 6.830 ( -1.987 -0.164 1.738) 2.645 6.880 ( -2.878 -1.545 -3.425) 4.733 7.372 ( 4.773 -3.265 -0.740) 5.830 7.499 ( -3.114 -5.457 1.160) 6.389 7.797 ( 3.864 2.436 7.079) 8.425 8.039 ( -6.415 5.405 -6.859) 10.835 9.183 ( 11.672 10.547 -17.849) 23.792 9.360 ( -12.225 7.950 18.061) 23.213 9.734 ( 8.708 0.109 -8.513) 12.178 9.862 ( -3.269 -3.151 5.600) 7.210 19.095 ( 3.137 1.101 1.542) 3.664 19.210 ( -2.735 2.655 -1.841) 4.233 19.361 ( 0.749 -1.140 -0.442) 1.433 19.402 ( -1.718 -0.835 0.016) 1.911 21.472 ( 5.869 -3.296 -0.353) 6.740 21.603 ( 0.222 -2.092 0.562) 2.177 21.769 ( 0.257 -6.922 0.375) 6.937 21.898 ( -5.088 -5.176 -0.397) 7.269 24.405 ( 0.120 -0.345 -0.060) 0.370 24.422 ( -0.754 -0.532 -0.335) 0.982 24.491 ( 1.053 -0.025 0.545) 1.186 24.534 ( -1.355 0.038 -0.867) 1.609 32.587 ( 1.177 0.063 -0.604) 1.325 32.606 ( -0.896 0.195 1.811) 2.030 32.662 ( 1.071 0.114 -0.012) 1.077 32.704 ( -0.942 0.621 -0.178) 1.143 41.229 ( 12.477 -7.362 3.732) 14.959 41.521 ( -4.855 1.065 -4.884) 6.968 41.623 ( 13.295 -7.706 12.247) 19.650 42.186 ( -12.273 -17.500 -1.941) 21.462 45.387 ( 2.998 -5.263 1.347) 6.205 45.654 ( -13.742 -9.637 0.227) 16.786 46.653 ( 8.372 34.887 11.201) 37.585 46.980 ( -2.927 32.052 -14.722) 35.393 ======================= Grid point 280 (141/150) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -9.111 20.191 -6.631) 23.122 1.754 ( 9.111 20.191 6.631) 23.122 1.953 ( 8.779 22.441 -12.685) 27.232 1.953 ( -8.779 22.441 12.685) 27.232 2.489 ( -1.036 -0.479 -10.423) 10.485 2.489 ( 1.036 -0.479 10.423) 10.485 2.881 ( -9.220 13.528 -3.517) 16.745 2.881 ( 9.220 13.528 3.517) 16.745 3.159 ( 2.906 -4.607 -6.589) 8.549 3.159 ( -2.906 -4.607 6.589) 8.549 3.594 ( -8.097 0.930 -2.434) 8.506 3.594 ( 8.097 0.930 2.434) 8.506 3.937 ( -7.191 5.211 -9.218) 12.799 3.937 ( 7.191 5.211 9.218) 12.799 4.216 ( 1.370 9.533 -5.858) 11.272 4.216 ( -1.370 9.533 5.858) 11.272 4.591 ( -10.278 -4.647 -0.622) 11.297 4.591 ( 10.278 -4.647 0.622) 11.297 4.757 ( 3.106 3.832 -3.159) 5.857 4.757 ( -3.106 3.832 3.159) 5.857 5.365 ( 1.436 -0.980 -2.038) 2.679 5.365 ( -1.436 -0.980 2.038) 2.679 5.888 ( -1.645 -1.015 -3.466) 3.968 5.888 ( 1.645 -1.015 3.466) 3.968 6.432 ( 2.290 2.594 -4.202) 5.443 6.432 ( -2.290 2.594 4.202) 5.443 6.829 ( 0.086 0.909 -2.883) 3.024 6.829 ( -0.086 0.909 2.883) 3.024 7.485 ( -2.534 -2.658 -3.264) 4.913 7.485 ( 2.534 -2.658 3.264) 4.913 7.856 ( -3.058 3.865 -8.362) 9.706 7.856 ( 3.058 3.865 8.362) 9.706 9.149 ( 13.125 8.413 -17.715) 23.598 9.149 ( -13.125 8.413 17.715) 23.598 9.836 ( 5.748 -1.633 -3.160) 6.760 9.836 ( -5.748 -1.633 3.160) 6.760 19.128 ( -2.160 1.801 -1.985) 3.442 19.128 ( 2.160 1.801 1.985) 3.442 19.388 ( 0.344 -0.653 -0.874) 1.144 19.388 ( -0.344 -0.653 0.874) 1.144 21.589 ( -3.809 -1.986 -0.293) 4.306 21.589 ( 3.809 -1.986 0.293) 4.306 21.904 ( -1.217 -6.075 -2.846) 6.818 21.904 ( 1.217 -6.075 2.846) 6.818 24.416 ( -0.637 -0.397 -0.248) 0.791 24.416 ( 0.637 -0.397 0.248) 0.791 24.510 ( -1.115 -0.037 -0.710) 1.322 24.510 ( 1.115 -0.037 0.710) 1.322 32.595 ( 0.775 0.424 -1.863) 2.062 32.595 ( -0.775 0.424 1.863) 2.062 32.680 ( -0.666 0.180 -1.514) 1.663 32.680 ( 0.666 0.180 1.514) 1.663 41.424 ( -3.015 -1.111 -3.583) 4.813 41.424 ( 3.015 -1.111 3.583) 4.813 42.169 ( -22.347 -20.814 -4.379) 30.851 42.169 ( 22.347 -20.814 4.379) 30.851 45.539 ( -10.031 -1.305 -2.227) 10.358 45.539 ( 10.031 -1.305 2.227) 10.358 46.380 ( -4.187 32.342 -13.508) 35.298 46.380 ( 4.187 32.342 13.508) 35.298 ======================= Grid point 284 (142/150) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 6.109 -0.000 -13.050) 14.409 1.605 ( 3.985 -0.000 -5.669) 6.930 2.246 ( 8.051 -0.000 3.723) 8.870 2.478 ( 15.845 -0.000 1.884) 15.956 2.713 ( -2.929 0.000 -13.355) 13.672 2.784 ( 10.886 -0.000 9.008) 14.129 3.045 ( 15.594 -0.000 -7.689) 17.387 3.200 ( 10.159 -0.000 9.609) 13.984 3.497 ( 1.074 -0.000 12.950) 12.995 3.529 ( 1.590 -0.000 4.676) 4.939 3.668 ( 0.179 -0.000 11.499) 11.501 3.707 ( 4.843 -0.000 2.321) 5.370 3.924 ( 10.854 -0.000 -5.295) 12.076 4.048 ( -9.352 0.000 -8.889) 12.903 4.139 ( 3.794 -0.000 -1.181) 3.973 4.491 ( -0.668 0.000 3.777) 3.836 4.553 ( -2.430 0.000 3.374) 4.158 4.694 ( 10.717 -0.000 -2.234) 10.947 4.722 ( 2.739 -0.000 2.462) 3.683 5.042 ( 8.151 -0.000 -4.514) 9.318 5.341 ( 4.788 -0.000 2.590) 5.444 5.470 ( 7.494 -0.000 -7.258) 10.433 5.782 ( 9.891 -0.000 1.667) 10.030 6.054 ( -3.677 0.000 -9.148) 9.859 6.395 ( 0.570 -0.000 6.131) 6.157 6.652 ( -1.659 0.000 1.025) 1.950 6.688 ( 7.064 -0.000 -2.519) 7.500 6.959 ( -0.331 0.000 -8.789) 8.795 7.368 ( -5.033 0.000 -1.021) 5.135 7.436 ( -4.097 0.000 4.520) 6.101 7.621 ( -0.846 0.000 1.521) 1.740 8.448 ( -0.099 0.000 5.571) 5.572 9.353 ( 10.712 -0.000 26.274) 28.374 9.519 ( 2.680 -0.000 -7.581) 8.040 9.587 ( 7.123 -0.000 1.354) 7.250 9.785 ( -3.373 0.000 -11.943) 12.410 19.069 ( 1.011 -0.000 -0.701) 1.230 19.212 ( 2.054 -0.000 0.623) 2.147 19.383 ( -1.615 0.000 0.659) 1.744 19.417 ( -0.597 0.000 -1.481) 1.597 21.445 ( -1.732 0.000 1.783) 2.486 21.546 ( -3.147 0.000 -1.153) 3.351 21.777 ( -4.413 0.000 -2.520) 5.082 21.832 ( -6.614 0.000 1.926) 6.888 24.418 ( -1.190 0.000 1.168) 1.668 24.431 ( 0.434 -0.000 0.018) 0.435 24.456 ( -0.445 0.000 -0.374) 0.582 24.613 ( -0.571 0.000 0.751) 0.943 32.578 ( -0.102 0.000 -0.700) 0.707 32.596 ( -0.017 0.000 -2.318) 2.318 32.613 ( 0.447 -0.000 -0.949) 1.049 32.719 ( 0.370 -0.000 2.678) 2.703 40.576 ( 0.973 -0.000 -10.266) 10.312 41.344 ( -3.093 0.000 8.528) 9.071 41.706 ( 0.833 -0.000 -0.867) 1.202 42.493 ( -10.494 0.000 -13.982) 17.482 45.106 ( -6.580 0.000 2.794) 7.148 45.480 ( -7.459 0.000 0.186) 7.461 47.071 ( 20.380 -0.000 16.339) 26.121 47.164 ( 33.720 -0.000 -14.849) 36.844 ======================= Grid point 285 (143/150) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 11.418 -5.354 -4.734) 13.470 1.690 ( 8.217 -3.280 -2.177) 9.112 2.344 ( 8.240 6.404 4.124) 11.221 2.552 ( 2.433 4.878 -5.358) 7.643 2.728 ( 4.498 -4.351 2.242) 6.648 2.882 ( 6.758 9.853 0.537) 11.960 3.200 ( 1.501 -5.026 -4.220) 6.732 3.343 ( 3.264 1.701 9.750) 10.422 3.432 ( 1.195 14.218 11.037) 18.039 3.563 ( -8.539 -1.393 -7.603) 11.518 3.647 ( -1.254 -4.173 -4.264) 6.097 3.724 ( -3.310 -3.607 7.404) 8.876 3.962 ( 7.073 5.262 -1.393) 8.925 4.176 ( 9.729 -5.648 -1.393) 11.336 4.257 ( 7.879 -3.057 -1.220) 8.539 4.542 ( 2.455 -0.605 6.780) 7.236 4.574 ( 0.438 -1.135 5.030) 5.175 4.787 ( 4.803 -0.391 0.021) 4.818 4.792 ( 5.042 2.727 -1.867) 6.029 5.161 ( 12.249 2.525 -4.985) 13.464 5.435 ( 4.911 -2.648 0.560) 5.608 5.524 ( 6.079 2.903 -3.826) 7.747 5.868 ( -1.549 3.423 -6.976) 7.923 5.956 ( 3.752 1.585 -1.720) 4.421 6.485 ( 2.644 -4.320 7.218) 8.818 6.650 ( -2.014 -1.683 2.062) 3.338 6.763 ( 1.640 -2.877 -2.775) 4.320 6.916 ( 3.157 1.564 -9.553) 10.182 7.249 ( -5.443 4.925 0.229) 7.344 7.397 ( -5.946 -3.322 3.735) 7.768 7.669 ( 4.567 -0.168 1.954) 4.970 8.428 ( -4.430 1.688 4.984) 6.878 9.498 ( -2.707 0.198 3.250) 4.235 9.571 ( -0.542 -1.312 15.244) 15.310 9.648 ( 9.902 7.993 -11.802) 17.355 9.765 ( 8.378 -0.666 -2.953) 8.908 19.077 ( 2.088 1.741 -0.017) 2.718 19.260 ( 1.786 -2.171 -0.078) 2.812 19.355 ( -1.479 0.689 0.230) 1.648 19.395 ( -1.850 -0.552 -1.444) 2.410 21.422 ( -0.251 1.686 1.524) 2.287 21.473 ( -2.602 2.865 -1.646) 4.206 21.693 ( -5.306 -1.388 -0.388) 5.499 21.789 ( -6.446 -5.612 0.358) 8.554 24.407 ( -1.139 -0.125 1.007) 1.525 24.427 ( -0.784 -0.173 -0.469) 0.930 24.460 ( 0.942 0.103 0.182) 0.965 24.596 ( -1.211 0.441 -0.241) 1.311 32.573 ( -0.152 0.121 0.082) 0.211 32.584 ( 0.394 0.088 -1.453) 1.508 32.629 ( 0.858 -0.925 -0.849) 1.520 32.735 ( 0.227 0.282 2.084) 2.115 40.637 ( 8.477 -1.577 -1.392) 8.734 41.339 ( -3.000 0.294 8.049) 8.595 41.710 ( -0.223 -0.404 -1.279) 1.360 42.244 ( -10.114 2.452 -10.926) 15.089 45.061 ( -5.304 -4.342 2.493) 7.294 45.410 ( -9.134 -7.609 -0.416) 11.895 47.355 ( 20.039 11.691 10.937) 25.649 47.586 ( 25.394 -1.611 -10.367) 27.476 ======================= Grid point 286 (144/150) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 13.953 -1.890 -0.499) 14.090 1.926 ( 12.713 -6.509 2.990) 14.592 2.355 ( 4.503 6.327 -1.973) 8.012 2.542 ( 3.286 4.594 2.808) 6.308 2.796 ( 2.594 9.287 -2.449) 9.948 2.813 ( 1.125 2.905 -1.201) 3.338 3.183 ( -7.554 4.342 -1.726) 8.882 3.214 ( -2.673 0.164 0.327) 2.698 3.363 ( -4.777 2.921 2.318) 6.060 3.536 ( -1.727 -8.566 3.478) 9.406 3.674 ( 1.308 1.208 -1.336) 2.226 3.772 ( -0.439 -2.547 3.164) 4.086 3.973 ( 5.770 8.399 0.570) 10.206 4.246 ( -1.800 4.666 0.252) 5.007 4.404 ( 7.570 -0.148 1.759) 7.773 4.584 ( 1.295 2.867 1.720) 3.585 4.657 ( 5.259 0.279 3.853) 6.525 4.750 ( 1.605 8.259 -1.710) 8.585 4.867 ( 5.279 0.983 1.510) 5.578 5.237 ( 6.677 4.838 -5.825) 10.096 5.445 ( 1.014 4.549 -6.919) 8.342 5.628 ( 3.737 -1.197 0.498) 3.956 5.696 ( -1.189 4.431 -4.898) 6.711 6.004 ( 2.942 3.187 1.983) 4.769 6.629 ( 1.732 -4.846 6.917) 8.622 6.635 ( -2.678 0.797 2.967) 4.075 6.770 ( -0.463 0.355 -3.668) 3.714 6.890 ( -0.883 0.175 -7.691) 7.743 7.159 ( 0.512 -0.171 0.074) 0.545 7.379 ( -5.182 -3.683 3.027) 7.041 7.764 ( 6.842 1.081 3.027) 7.559 8.327 ( -7.335 3.238 2.333) 8.351 9.458 ( 0.112 2.238 -4.452) 4.984 9.537 ( 0.069 0.429 -7.328) 7.341 9.740 ( 5.647 4.074 14.567) 16.145 9.842 ( 6.676 4.663 -3.479) 8.856 19.094 ( 3.162 1.810 0.684) 3.707 19.300 ( 0.026 -0.967 -0.876) 1.306 19.333 ( -0.642 0.019 -0.068) 0.646 19.365 ( -2.182 -1.246 -0.933) 2.680 21.393 ( 0.667 2.420 -1.853) 3.120 21.448 ( 2.077 -0.857 1.545) 2.727 21.646 ( -5.909 -3.600 0.029) 6.919 21.769 ( -6.750 -6.169 -0.094) 9.145 24.398 ( -0.798 -0.196 0.622) 1.031 24.415 ( -0.872 -0.396 -0.383) 1.031 24.476 ( 1.195 0.166 0.339) 1.254 24.568 ( -1.315 0.439 -0.735) 1.569 32.574 ( 0.492 0.031 -0.124) 0.509 32.589 ( 0.101 -0.605 0.371) 0.717 32.648 ( 1.153 -0.255 -0.552) 1.303 32.738 ( -0.463 0.402 1.175) 1.325 40.818 ( 10.704 -2.405 3.917) 11.649 41.348 ( -2.491 -2.135 7.523) 8.207 41.683 ( -0.951 1.584 -3.248) 3.736 42.041 ( -8.293 -0.331 -6.982) 10.846 45.086 ( -2.771 -6.960 1.885) 7.725 45.385 ( -10.261 -10.700 -0.381) 14.830 47.484 ( 14.841 18.214 12.327) 26.532 47.796 ( 16.108 8.480 -13.240) 22.509 ======================= Grid point 287 (145/150) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 14.811 0.627 1.518) 14.902 2.193 ( 10.328 -1.256 5.740) 11.882 2.315 ( 4.468 8.777 -1.997) 10.049 2.483 ( -5.107 4.298 1.973) 6.960 2.672 ( 1.252 7.902 -9.179) 12.177 2.695 ( -6.900 7.047 3.509) 10.468 3.038 ( 2.519 3.492 -5.286) 6.817 3.223 ( -3.988 1.735 -0.166) 4.352 3.374 ( 1.578 -6.803 5.907) 9.146 3.572 ( -7.118 -2.657 -0.186) 7.600 3.671 ( 4.611 2.781 -0.974) 5.472 3.815 ( 2.521 0.097 5.312) 5.881 3.891 ( -0.193 11.255 -1.634) 11.374 4.060 ( -6.470 12.799 1.877) 14.464 4.451 ( 1.537 6.723 4.234) 8.092 4.524 ( -0.580 5.522 -6.016) 8.187 4.649 ( 1.193 7.505 3.910) 8.547 4.693 ( 1.015 3.321 -2.522) 4.292 4.951 ( 6.582 3.162 3.081) 7.926 5.152 ( -1.887 8.255 -5.288) 9.984 5.364 ( 1.860 5.392 -1.645) 5.936 5.484 ( -3.594 5.134 -6.997) 9.393 5.808 ( 5.148 -1.521 4.295) 6.875 5.961 ( -1.684 4.756 0.198) 5.049 6.588 ( -0.960 4.280 4.954) 6.617 6.660 ( -0.957 5.312 -3.006) 6.178 6.759 ( -0.224 -3.061 2.706) 4.092 6.830 ( -3.370 -2.795 -4.833) 6.522 7.253 ( 4.978 -5.182 -1.217) 7.288 7.373 ( -4.513 -4.320 2.778) 6.837 7.870 ( 7.751 2.687 4.241) 9.235 8.160 ( -8.270 4.009 -2.028) 9.412 9.416 ( 7.820 4.963 -15.516) 18.070 9.495 ( -5.954 1.735 10.234) 11.966 9.818 ( -1.236 1.926 14.588) 14.767 9.821 ( 6.813 6.161 -11.209) 14.492 19.131 ( 3.902 1.529 1.335) 4.399 19.262 ( -3.055 1.240 -1.699) 3.709 19.334 ( 0.329 -0.785 0.141) 0.863 19.365 ( -1.098 -1.883 -0.519) 2.240 21.413 ( 4.611 -0.856 -0.921) 4.779 21.535 ( 3.423 -2.819 1.170) 4.586 21.608 ( -4.938 -4.903 -0.210) 6.962 21.745 ( -6.992 -6.082 -0.244) 9.270 24.396 ( -0.191 -0.301 0.215) 0.417 24.407 ( -0.752 -0.519 -0.195) 0.934 24.494 ( 1.231 0.211 0.488) 1.341 24.539 ( -1.294 0.318 -0.795) 1.552 32.585 ( 1.098 -0.232 -0.868) 1.419 32.600 ( -0.647 -0.610 1.578) 1.811 32.667 ( 1.631 0.280 -0.028) 1.655 32.721 ( -1.363 0.574 0.220) 1.495 41.059 ( 11.763 -4.785 5.441) 13.816 41.385 ( -5.751 -6.414 2.638) 9.009 41.641 ( 3.784 3.344 0.659) 5.093 41.918 ( -8.493 -4.060 -5.518) 10.911 45.185 ( 1.388 -8.573 1.553) 8.823 45.373 ( -9.855 -10.900 -0.554) 14.705 47.453 ( 8.731 24.864 15.576) 30.611 47.689 ( 5.723 20.393 -17.157) 27.258 ======================= Grid point 288 (146/150) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -5.203 11.132 0.366) 12.294 2.165 ( 5.203 11.132 -0.366) 12.294 2.334 ( -6.630 3.615 -2.747) 8.036 2.334 ( 6.630 3.615 2.747) 8.036 2.565 ( 3.792 6.647 -11.673) 13.957 2.565 ( -3.792 6.647 11.673) 13.957 3.080 ( -9.800 2.651 1.302) 10.235 3.080 ( 9.800 2.651 -1.302) 10.235 3.420 ( -4.135 12.311 0.833) 13.014 3.420 ( 4.135 12.311 -0.833) 13.014 3.681 ( -2.958 10.516 -0.168) 10.926 3.681 ( 2.958 10.516 0.168) 10.926 3.911 ( 3.278 -6.568 -8.236) 11.033 3.911 ( -3.278 -6.568 8.236) 11.033 4.374 ( -0.274 8.049 -7.753) 11.179 4.374 ( 0.274 8.049 7.753) 11.179 4.624 ( -0.055 3.830 -2.955) 4.838 4.624 ( 0.055 3.830 2.955) 4.838 4.959 ( -2.465 9.687 -3.352) 10.542 4.959 ( 2.465 9.687 3.352) 10.542 5.363 ( -2.195 1.826 -4.185) 5.066 5.363 ( 2.195 1.826 4.185) 5.066 5.881 ( 0.160 0.994 -4.565) 4.675 5.881 ( -0.160 0.994 4.565) 4.675 6.548 ( 1.032 5.537 -6.115) 8.314 6.548 ( -1.032 5.537 6.115) 8.314 6.812 ( -0.057 -2.201 -4.777) 5.260 6.812 ( 0.057 -2.201 4.777) 5.260 7.382 ( 3.011 -4.807 -2.444) 6.176 7.382 ( -3.011 -4.807 2.444) 6.176 7.966 ( -7.320 4.094 -5.559) 10.061 7.966 ( 7.320 4.094 5.559) 10.061 9.387 ( 11.232 7.563 -18.562) 22.976 9.387 ( -11.232 7.563 18.562) 22.976 9.809 ( 6.235 0.874 -10.477) 12.223 9.809 ( -6.235 0.874 10.477) 12.223 19.178 ( -3.528 1.764 -2.095) 4.466 19.178 ( 3.528 1.764 2.095) 4.466 19.363 ( -1.165 -1.189 -0.373) 1.706 19.363 ( 1.165 -1.189 0.373) 1.706 21.525 ( -5.932 -2.631 0.024) 6.489 21.525 ( 5.932 -2.631 -0.024) 6.489 21.725 ( -3.624 -6.775 -2.120) 7.971 21.725 ( 3.624 -6.775 2.120) 7.971 24.404 ( -0.157 -0.487 -0.346) 0.618 24.404 ( 0.157 -0.487 0.346) 0.618 24.513 ( -1.210 0.213 -0.677) 1.403 24.513 ( 1.210 0.213 0.677) 1.403 32.600 ( 1.221 -0.170 -1.650) 2.060 32.600 ( -1.221 -0.170 1.650) 2.060 32.689 ( -1.276 0.489 -0.687) 1.530 32.689 ( 1.276 0.489 0.687) 1.530 41.332 ( -9.673 -6.019 -4.373) 12.203 41.332 ( 9.673 -6.019 4.373) 12.203 41.800 ( -11.673 -5.918 -8.364) 15.532 41.800 ( 11.673 -5.918 8.364) 15.532 45.372 ( -6.464 -9.231 -1.447) 11.362 45.372 ( 6.464 -9.231 1.447) 11.362 47.269 ( 0.545 30.588 -23.564) 38.616 47.269 ( -0.545 30.588 23.564) 38.616 ======================= Grid point 294 (147/150) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 17.169 -0.000 5.769) 18.112 1.828 ( 13.516 -0.000 0.892) 13.546 2.397 ( 0.126 -0.000 -8.013) 8.014 2.680 ( 9.207 -0.000 4.104) 10.080 2.713 ( -4.968 0.000 7.640) 9.113 3.024 ( -10.139 0.000 -6.085) 11.825 3.134 ( 1.629 -0.000 -4.270) 4.570 3.244 ( -8.788 0.000 -9.068) 12.628 3.372 ( -5.289 0.000 5.331) 7.509 3.537 ( -3.292 0.000 3.757) 4.995 3.683 ( 5.477 -0.000 -5.072) 7.464 3.719 ( -2.134 0.000 9.917) 10.144 4.125 ( 7.126 -0.000 0.720) 7.162 4.281 ( 8.095 -0.000 1.866) 8.307 4.390 ( 9.425 -0.000 3.404) 10.021 4.618 ( 1.943 -0.000 4.104) 4.541 4.655 ( 8.458 -0.000 1.702) 8.628 4.881 ( 3.508 -0.000 1.573) 3.844 4.888 ( 8.967 -0.000 -1.048) 9.028 5.285 ( 5.426 -0.000 -5.070) 7.426 5.481 ( 3.799 -0.000 -5.926) 7.040 5.656 ( 10.661 -0.000 1.427) 10.756 5.769 ( -5.815 0.000 -10.787) 12.254 6.040 ( 3.422 -0.000 2.018) 3.972 6.547 ( 3.543 -0.000 7.810) 8.576 6.648 ( 0.064 -0.000 4.717) 4.718 6.726 ( -0.695 0.000 -3.631) 3.697 6.914 ( 1.967 -0.000 -10.703) 10.882 7.244 ( -2.820 0.000 -0.691) 2.904 7.260 ( -7.846 0.000 4.511) 9.050 7.781 ( 8.057 -0.000 2.256) 8.366 8.371 ( -7.933 0.000 4.175) 8.965 9.481 ( -2.848 0.000 4.815) 5.594 9.510 ( -1.732 0.000 -7.476) 7.674 9.868 ( 11.819 -0.000 -9.646) 15.255 9.886 ( 4.708 -0.000 13.565) 14.359 19.126 ( 2.762 -0.000 0.406) 2.792 19.271 ( 1.653 -0.000 -0.700) 1.795 19.338 ( -1.445 0.000 0.478) 1.522 19.349 ( -2.582 0.000 -1.511) 2.991 21.441 ( 0.701 -0.000 0.585) 0.913 21.452 ( -1.616 0.000 -1.048) 1.926 21.602 ( -5.393 0.000 -1.399) 5.572 21.649 ( -6.313 0.000 1.510) 6.491 24.395 ( -0.940 0.000 1.023) 1.389 24.410 ( -0.767 0.000 -0.685) 1.028 24.478 ( 1.169 -0.000 0.419) 1.241 24.575 ( -1.505 0.000 -0.754) 1.683 32.573 ( -0.176 0.000 0.893) 0.910 32.581 ( 0.528 -0.000 -1.756) 1.834 32.644 ( 1.726 -0.000 0.152) 1.732 32.743 ( -0.533 0.000 1.167) 1.283 40.787 ( 10.913 -0.000 3.901) 11.589 41.318 ( -4.458 0.000 5.293) 6.921 41.705 ( 0.475 -0.000 -0.900) 1.018 42.050 ( -9.702 0.000 -9.029) 13.253 44.988 ( -3.075 0.000 3.888) 4.957 45.228 ( -7.535 0.000 -2.613) 7.975 47.767 ( 11.703 -0.000 19.003) 22.318 47.865 ( 23.406 -0.000 -18.786) 30.012 ======================= Grid point 295 (148/150) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 16.846 0.249 2.353) 17.012 2.128 ( 16.930 -2.386 10.873) 20.261 2.384 ( 1.904 -1.043 -5.483) 5.897 2.604 ( -8.293 3.547 3.951) 9.847 2.749 ( -8.038 0.580 -7.722) 11.162 2.827 ( -10.085 2.891 -6.630) 12.411 2.968 ( -0.283 -6.485 -0.710) 6.530 3.234 ( -6.110 -0.122 -0.138) 6.112 3.352 ( 4.409 2.348 3.351) 6.015 3.496 ( -3.079 0.261 2.004) 3.683 3.709 ( 2.416 0.779 -2.526) 3.581 3.746 ( -1.437 -1.585 2.826) 3.544 4.201 ( 7.005 6.086 2.420) 9.590 4.323 ( -0.470 4.891 3.073) 5.796 4.523 ( 5.263 0.727 3.887) 6.583 4.628 ( -0.026 1.828 -1.956) 2.677 4.789 ( 9.500 2.550 -3.220) 10.350 4.888 ( -0.073 6.430 5.282) 8.322 5.010 ( 8.805 2.311 2.288) 9.387 5.270 ( -2.429 1.563 -6.069) 6.721 5.478 ( 1.790 1.934 -2.772) 3.825 5.607 ( -4.669 3.414 -7.956) 9.836 5.832 ( 11.606 2.039 0.890) 11.817 6.054 ( -2.088 1.763 1.723) 3.230 6.636 ( 1.467 -1.497 4.748) 5.190 6.685 ( 1.292 1.432 7.049) 7.308 6.721 ( -0.574 -2.640 -1.945) 3.329 6.843 ( -1.707 2.968 -10.127) 10.690 7.168 ( 0.113 0.022 0.888) 0.895 7.253 ( -4.658 -4.777 1.042) 6.753 7.921 ( 9.715 1.063 2.158) 10.008 8.238 ( -10.050 1.687 1.461) 10.295 9.455 ( 0.241 0.351 -2.042) 2.086 9.483 ( -1.426 -1.638 -1.570) 2.680 9.939 ( 6.401 4.480 -1.680) 7.992 9.969 ( 1.881 3.303 4.942) 6.235 19.167 ( 3.383 1.022 0.938) 3.656 19.277 ( -1.768 0.004 -1.706) 2.457 19.317 ( -0.577 -0.981 -0.489) 1.239 19.324 ( -0.842 -0.371 0.450) 1.024 21.426 ( 1.354 1.335 -0.935) 2.119 21.474 ( 2.634 -1.497 0.229) 3.039 21.527 ( -5.020 -1.178 0.057) 5.157 21.602 ( -5.693 -4.191 0.377) 7.079 24.390 ( -0.493 -0.121 0.816) 0.961 24.398 ( -0.476 -0.181 -0.659) 0.833 24.499 ( 1.250 0.102 0.583) 1.383 24.547 ( -1.425 0.186 -0.870) 1.680 32.578 ( 0.179 -0.230 0.396) 0.492 32.584 ( 0.180 -0.422 -0.538) 0.707 32.673 ( 1.953 0.157 0.471) 2.015 32.731 ( -1.353 0.187 0.232) 1.385 40.982 ( 10.452 -1.287 5.327) 11.801 41.271 ( -6.230 -2.166 1.297) 6.722 41.709 ( 2.159 1.499 -0.199) 2.636 41.881 ( -7.424 -0.080 -5.412) 9.188 45.010 ( 0.089 -3.823 3.569) 5.231 45.146 ( -6.331 -5.178 -2.956) 8.696 47.919 ( 6.878 10.245 15.027) 19.444 48.021 ( 11.451 5.113 -15.240) 19.736 ======================= Grid point 296 (149/150) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -10.037 1.478 -1.377) 10.238 2.295 ( 10.037 1.478 1.377) 10.238 2.430 ( -7.640 2.066 -6.394) 10.174 2.430 ( 7.640 2.066 6.394) 10.174 2.639 ( 3.383 0.292 -2.529) 4.234 2.639 ( -3.383 0.292 2.529) 4.234 3.132 ( -2.918 -2.151 -3.422) 4.985 3.132 ( 2.918 -2.151 3.422) 4.985 3.431 ( -5.774 -0.453 -2.919) 6.486 3.431 ( 5.774 -0.453 2.919) 6.486 3.736 ( 2.527 -0.977 -7.942) 8.392 3.736 ( -2.527 -0.977 7.942) 8.392 4.177 ( -4.292 12.746 0.120) 13.450 4.177 ( 4.292 12.746 -0.120) 13.450 4.562 ( -1.101 3.874 -4.003) 5.678 4.562 ( 1.101 3.874 4.003) 5.678 4.781 ( 2.863 8.568 -6.210) 10.962 4.781 ( -2.863 8.568 6.210) 10.962 5.123 ( -6.694 3.308 -6.068) 9.621 5.123 ( 6.694 3.308 6.068) 9.621 5.470 ( -2.783 4.536 -2.911) 6.066 5.470 ( 2.783 4.536 2.911) 6.066 5.944 ( -6.585 3.348 -1.020) 7.458 5.944 ( 6.585 3.348 1.020) 7.458 6.684 ( -0.220 3.069 -3.233) 4.463 6.684 ( 0.220 3.069 3.233) 4.463 6.740 ( 0.167 -1.318 -2.095) 2.481 6.740 ( -0.167 -1.318 2.095) 2.481 7.251 ( -1.033 -4.834 -1.700) 5.227 7.251 ( 1.033 -4.834 1.700) 5.227 8.057 ( -9.801 2.624 -1.890) 10.321 8.057 ( 9.801 2.624 1.890) 10.321 9.469 ( 4.784 -0.274 -11.956) 12.881 9.469 ( -4.784 -0.274 11.956) 12.881 9.921 ( 4.405 6.091 -13.228) 15.215 9.921 ( -4.405 6.091 13.228) 15.215 19.215 ( -3.578 1.006 -1.622) 4.055 19.215 ( 3.578 1.006 1.622) 4.055 19.330 ( -0.234 -1.170 -0.699) 1.383 19.330 ( 0.234 -1.170 0.699) 1.383 21.470 ( -4.593 -1.267 0.132) 4.766 21.470 ( 4.593 -1.267 -0.132) 4.766 21.575 ( -4.245 -4.435 -1.101) 6.237 21.575 ( 4.245 -4.435 1.101) 6.237 24.394 ( 0.040 -0.288 -0.728) 0.784 24.394 ( -0.040 -0.288 0.728) 0.784 24.519 ( -1.288 0.227 -0.735) 1.500 24.519 ( 1.288 0.227 0.735) 1.500 32.588 ( 0.683 -0.548 -1.445) 1.690 32.588 ( -0.683 -0.548 1.445) 1.690 32.702 ( -1.844 0.399 -0.426) 1.934 32.702 ( 1.844 0.399 0.426) 1.934 41.189 ( -9.427 -3.831 -3.547) 10.776 41.189 ( 9.427 -3.831 3.547) 10.776 41.759 ( -5.801 0.568 -3.865) 6.994 41.759 ( 5.801 0.568 3.865) 6.994 45.134 ( -3.787 -7.643 -3.113) 9.080 45.134 ( 3.787 -7.643 3.113) 9.080 47.883 ( 3.341 15.884 -21.987) 27.329 47.883 ( -3.341 15.884 21.987) 27.329 ======================= Grid point 305 (150/150) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.20e-05 5.20e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -10.867 0.000 -2.421) 11.134 2.312 ( 10.867 -0.000 2.421) 11.134 2.434 ( -14.652 0.000 -11.631) 18.707 2.434 ( 14.652 -0.000 11.631) 18.707 2.638 ( 5.638 -0.000 -6.155) 8.347 2.638 ( -5.639 0.000 6.155) 8.347 3.076 ( -10.023 0.000 -4.423) 10.956 3.076 ( 10.023 -0.000 4.423) 10.956 3.453 ( -4.103 0.000 -0.233) 4.109 3.453 ( 4.103 -0.000 0.233) 4.109 3.731 ( 3.595 -0.000 -8.050) 8.816 3.731 ( -3.595 0.000 8.050) 8.816 4.331 ( -3.782 0.000 -1.008) 3.914 4.331 ( 3.782 -0.000 1.008) 3.914 4.607 ( -2.190 0.000 -4.054) 4.608 4.607 ( 2.190 -0.000 4.054) 4.608 4.917 ( 6.330 -0.000 -5.894) 8.649 4.917 ( -6.330 0.000 5.894) 8.649 5.173 ( -7.528 0.000 -4.402) 8.721 5.173 ( 7.528 -0.000 4.403) 8.721 5.532 ( -3.694 0.000 -2.988) 4.751 5.532 ( 3.694 -0.000 2.988) 4.751 6.002 ( -8.004 0.000 1.532) 8.149 6.002 ( 8.004 -0.000 -1.532) 8.149 6.667 ( -0.207 0.000 -5.407) 5.411 6.667 ( 0.207 -0.000 5.407) 5.411 6.784 ( -2.091 0.000 -9.910) 10.128 6.784 ( 2.091 -0.000 9.910) 10.128 7.173 ( 0.229 -0.000 -3.224) 3.232 7.173 ( -0.229 0.000 3.224) 3.232 8.092 ( -10.900 0.000 -0.423) 10.908 8.092 ( 10.900 -0.000 0.423) 10.908 9.455 ( 3.113 -0.000 -7.983) 8.568 9.455 ( -3.114 0.000 7.983) 8.568 10.016 ( 5.224 -0.000 -12.434) 13.487 10.016 ( -5.224 0.000 12.434) 13.487 19.229 ( -3.170 0.000 -1.389) 3.461 19.229 ( 3.170 -0.000 1.389) 3.461 19.312 ( 0.879 -0.000 -0.834) 1.211 19.312 ( -0.879 0.000 0.834) 1.211 21.459 ( -2.167 0.000 -0.888) 2.342 21.459 ( 2.167 -0.000 0.888) 2.342 21.510 ( -3.219 0.000 0.093) 3.220 21.510 ( 3.219 -0.000 -0.093) 3.220 24.390 ( 0.050 -0.000 -0.846) 0.847 24.390 ( -0.050 0.000 0.846) 0.847 24.522 ( -1.343 0.000 -0.787) 1.557 24.522 ( 1.343 -0.000 0.787) 1.557 32.580 ( 0.292 -0.000 -1.234) 1.268 32.580 ( -0.292 0.000 1.234) 1.268 32.707 ( -1.894 0.000 -0.431) 1.942 32.707 ( 1.894 -0.000 0.431) 1.942 41.140 ( -8.441 0.000 -3.342) 9.079 41.140 ( 8.441 -0.000 3.342) 9.079 41.772 ( -4.594 0.000 -1.830) 4.945 41.772 ( 4.594 -0.000 1.830) 4.945 45.026 ( -2.861 0.000 -4.049) 4.958 45.026 ( 2.861 -0.000 4.049) 4.958 48.091 ( 5.096 -0.000 -19.902) 20.544 48.091 ( -5.096 0.000 19.902) 20.544 =================== 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 3/30720 10.0 158.994 183.069 179.713 0.000 51.576 0.000 3/30720 20.0 29.744 45.019 23.100 0.000 4.686 0.000 3/30720 30.0 12.675 19.610 9.048 0.000 1.497 0.000 3/30720 40.0 7.506 11.511 5.250 0.000 0.777 0.000 3/30720 50.0 5.248 7.943 3.657 0.000 0.502 0.000 3/30720 60.0 4.028 6.014 2.811 0.000 0.363 0.000 3/30720 70.0 3.275 4.827 2.295 0.000 0.279 0.000 3/30720 80.0 2.767 4.031 1.950 0.000 0.224 0.000 3/30720 90.0 2.403 3.463 1.705 0.000 0.184 0.000 3/30720 100.0 2.129 3.038 1.521 0.000 0.154 0.000 3/30720 110.0 1.916 2.709 1.378 0.000 0.131 0.000 3/30720 120.0 1.744 2.446 1.263 0.000 0.113 0.000 3/30720 130.0 1.604 2.232 1.168 0.000 0.098 0.000 3/30720 140.0 1.486 2.054 1.087 0.000 0.086 0.000 3/30720 150.0 1.387 1.905 1.019 0.000 0.076 0.000 3/30720 160.0 1.301 1.777 0.959 0.000 0.068 0.000 3/30720 170.0 1.227 1.666 0.906 0.000 0.062 0.000 3/30720 180.0 1.162 1.570 0.859 0.000 0.056 0.000 3/30720 190.0 1.104 1.485 0.818 0.000 0.051 0.000 3/30720 200.0 1.053 1.410 0.780 0.000 0.047 0.000 3/30720 210.0 1.008 1.343 0.746 0.000 0.044 0.000 3/30720 220.0 0.967 1.283 0.716 0.000 0.041 0.000 3/30720 230.0 0.930 1.229 0.688 0.000 0.038 0.000 3/30720 240.0 0.896 1.179 0.662 0.000 0.036 0.000 3/30720 250.0 0.865 1.134 0.638 0.000 0.034 0.000 3/30720 260.0 0.837 1.093 0.617 0.000 0.033 0.000 3/30720 270.0 0.811 1.056 0.597 0.000 0.031 0.000 3/30720 280.0 0.787 1.021 0.578 0.000 0.030 0.000 3/30720 290.0 0.765 0.989 0.561 0.000 0.029 0.000 3/30720 300.0 0.745 0.959 0.545 0.000 0.028 0.000 3/30720 310.0 0.726 0.932 0.531 0.000 0.028 0.000 3/30720 320.0 0.708 0.906 0.517 0.000 0.027 0.000 3/30720 330.0 0.691 0.882 0.504 0.000 0.026 0.000 3/30720 340.0 0.676 0.860 0.492 0.000 0.026 0.000 3/30720 350.0 0.661 0.839 0.481 0.000 0.025 0.000 3/30720 360.0 0.647 0.819 0.470 0.000 0.025 0.000 3/30720 370.0 0.634 0.801 0.460 0.000 0.025 0.000 3/30720 380.0 0.622 0.783 0.451 0.000 0.024 0.000 3/30720 390.0 0.611 0.767 0.442 0.000 0.024 0.000 3/30720 400.0 0.599 0.751 0.433 0.000 0.024 0.000 3/30720 410.0 0.589 0.736 0.425 0.000 0.023 0.000 3/30720 420.0 0.579 0.722 0.418 0.000 0.023 0.000 3/30720 430.0 0.569 0.708 0.411 0.000 0.023 0.000 3/30720 440.0 0.560 0.695 0.404 0.000 0.023 0.000 3/30720 450.0 0.551 0.683 0.397 0.000 0.022 0.000 3/30720 460.0 0.543 0.671 0.391 0.000 0.022 0.000 3/30720 470.0 0.535 0.660 0.385 0.000 0.022 0.000 3/30720 480.0 0.527 0.649 0.379 0.000 0.022 0.000 3/30720 490.0 0.520 0.639 0.373 0.000 0.022 0.000 3/30720 500.0 0.512 0.629 0.368 0.000 0.021 0.000 3/30720 510.0 0.506 0.619 0.363 0.000 0.021 0.000 3/30720 520.0 0.499 0.610 0.358 0.000 0.021 0.000 3/30720 530.0 0.492 0.601 0.353 0.000 0.021 0.000 3/30720 540.0 0.486 0.593 0.348 0.000 0.021 0.000 3/30720 550.0 0.480 0.584 0.344 0.000 0.021 0.000 3/30720 560.0 0.474 0.576 0.339 0.000 0.020 0.000 3/30720 570.0 0.468 0.568 0.335 0.000 0.020 0.000 3/30720 580.0 0.462 0.561 0.331 0.000 0.020 0.000 3/30720 590.0 0.457 0.553 0.327 0.000 0.020 0.000 3/30720 600.0 0.451 0.546 0.323 0.000 0.020 0.000 3/30720 610.0 0.446 0.539 0.319 0.000 0.020 0.000 3/30720 620.0 0.441 0.533 0.316 0.000 0.019 0.000 3/30720 630.0 0.436 0.526 0.312 0.000 0.019 0.000 3/30720 640.0 0.431 0.520 0.309 0.000 0.019 0.000 3/30720 650.0 0.427 0.513 0.305 0.000 0.019 0.000 3/30720 660.0 0.422 0.507 0.302 0.000 0.019 0.000 3/30720 670.0 0.417 0.501 0.299 0.000 0.019 0.000 3/30720 680.0 0.413 0.496 0.295 0.000 0.018 0.000 3/30720 690.0 0.409 0.490 0.292 0.000 0.018 0.000 3/30720 700.0 0.404 0.485 0.289 0.000 0.018 0.000 3/30720 710.0 0.400 0.479 0.286 0.000 0.018 0.000 3/30720 720.0 0.396 0.474 0.283 0.000 0.018 0.000 3/30720 730.0 0.392 0.469 0.280 0.000 0.018 0.000 3/30720 740.0 0.388 0.464 0.278 0.000 0.018 0.000 3/30720 750.0 0.384 0.459 0.275 0.000 0.017 0.000 3/30720 760.0 0.381 0.454 0.272 0.000 0.017 0.000 3/30720 770.0 0.377 0.449 0.269 0.000 0.017 0.000 3/30720 780.0 0.373 0.445 0.267 0.000 0.017 0.000 3/30720 790.0 0.370 0.440 0.264 0.000 0.017 0.000 3/30720 800.0 0.366 0.436 0.262 0.000 0.017 0.000 3/30720 810.0 0.363 0.431 0.259 0.000 0.017 0.000 3/30720 820.0 0.359 0.427 0.257 0.000 0.016 0.000 3/30720 830.0 0.356 0.423 0.255 0.000 0.016 0.000 3/30720 840.0 0.353 0.419 0.252 0.000 0.016 0.000 3/30720 850.0 0.350 0.415 0.250 0.000 0.016 0.000 3/30720 860.0 0.346 0.411 0.248 0.000 0.016 0.000 3/30720 870.0 0.343 0.407 0.245 0.000 0.016 0.000 3/30720 880.0 0.340 0.403 0.243 0.000 0.016 0.000 3/30720 890.0 0.337 0.400 0.241 0.000 0.016 0.000 3/30720 900.0 0.334 0.396 0.239 0.000 0.015 0.000 3/30720 910.0 0.332 0.392 0.237 0.000 0.015 0.000 3/30720 920.0 0.329 0.389 0.235 0.000 0.015 0.000 3/30720 930.0 0.326 0.385 0.233 0.000 0.015 0.000 3/30720 940.0 0.323 0.382 0.231 0.000 0.015 0.000 3/30720 950.0 0.320 0.378 0.229 0.000 0.015 0.000 3/30720 960.0 0.318 0.375 0.227 0.000 0.015 0.000 3/30720 970.0 0.315 0.372 0.225 0.000 0.015 0.000 3/30720 980.0 0.312 0.369 0.223 0.000 0.014 0.000 3/30720 990.0 0.310 0.366 0.222 0.000 0.014 0.000 3/30720 1000.0 0.307 0.363 0.220 0.000 0.014 0.000 3/30720 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:38:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|