----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:30:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.766151730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.115002520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.735056050000000 Atomic positions (fractional): *1 O 0.28188419599249 0.46286964671845 0.21805692818700 15.999 2 O 0.21811580400751 0.53713035328155 0.71805692818700 15.999 3 O 0.78188419599249 0.03713035328155 0.28194307181300 15.999 4 O 0.71811580400751 0.96286964671845 0.78194307181300 15.999 5 O 0.71811580400751 0.53713035328155 0.78194307181300 15.999 6 O 0.78188419599249 0.46286964671845 0.28194307181300 15.999 7 O 0.21811580400751 0.96286964671845 0.71805692818700 15.999 8 O 0.28188419599249 0.03713035328155 0.21805692818700 15.999 *9 O 0.98445407044555 0.25000000000000 0.92961118981559 15.999 10 O 0.51554592955445 0.75000000000000 0.42961118981559 15.999 11 O 0.48445407044555 0.25000000000000 0.57038881018441 15.999 12 O 0.01554592955445 0.75000000000000 0.07038881018441 15.999 *13 Sr 0.52724387379124 0.25000000000000 0.00622934655272 87.620 14 Sr 0.97275612620876 0.75000000000000 0.50622934655272 87.620 15 Sr 0.02724387379124 0.25000000000000 0.49377065344728 87.620 16 Sr 0.47275612620876 0.75000000000000 0.99377065344728 87.620 *17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 18 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 19 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 20 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.766151730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.115002520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.735056050000000 Atomic positions (fractional): *1 O 0.28188419599249 0.46286964671845 0.21805692818700 15.999 > 1 2 O 0.21811580400751 0.53713035328155 0.71805692818700 15.999 > 2 3 O 0.78188419599249 0.03713035328155 0.28194307181300 15.999 > 3 4 O 0.71811580400751 0.96286964671845 0.78194307181300 15.999 > 4 5 O 0.71811580400751 0.53713035328155 0.78194307181300 15.999 > 5 6 O 0.78188419599249 0.46286964671845 0.28194307181300 15.999 > 6 7 O 0.21811580400751 0.96286964671845 0.71805692818700 15.999 > 7 8 O 0.28188419599249 0.03713035328155 0.21805692818700 15.999 > 8 *9 O 0.98445407044555 0.25000000000000 0.92961118981559 15.999 > 9 10 O 0.51554592955445 0.75000000000000 0.42961118981559 15.999 > 10 11 O 0.48445407044555 0.25000000000000 0.57038881018441 15.999 > 11 12 O 0.01554592955445 0.75000000000000 0.07038881018441 15.999 > 12 *13 Sr 0.52724387379124 0.25000000000000 0.00622934655272 87.620 > 13 14 Sr 0.97275612620876 0.75000000000000 0.50622934655272 87.620 > 14 15 Sr 0.02724387379124 0.25000000000000 0.49377065344728 87.620 > 15 16 Sr 0.47275612620876 0.75000000000000 0.99377065344728 87.620 > 16 *17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 17 18 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 18 19 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 19 20 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.532303460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.115002520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.470112100000000 Atomic positions (fractional): *1 O 0.14094209799625 0.46286964671845 0.10902846409350 15.999 > 1 2 O 0.64094209799625 0.46286964671845 0.10902846409350 15.999 > 1 3 O 0.14094209799625 0.46286964671845 0.60902846409350 15.999 > 1 4 O 0.64094209799625 0.46286964671845 0.60902846409350 15.999 > 1 5 O 0.10905790200375 0.53713035328155 0.35902846409350 15.999 > 2 6 O 0.60905790200375 0.53713035328155 0.35902846409350 15.999 > 2 7 O 0.10905790200375 0.53713035328155 0.85902846409350 15.999 > 2 8 O 0.60905790200375 0.53713035328155 0.85902846409350 15.999 > 2 9 O 0.39094209799625 0.03713035328155 0.14097153590650 15.999 > 3 10 O 0.89094209799625 0.03713035328155 0.14097153590650 15.999 > 3 11 O 0.39094209799625 0.03713035328155 0.64097153590650 15.999 > 3 12 O 0.89094209799625 0.03713035328155 0.64097153590650 15.999 > 3 13 O 0.35905790200375 0.96286964671845 0.39097153590650 15.999 > 4 14 O 0.85905790200375 0.96286964671845 0.39097153590650 15.999 > 4 15 O 0.35905790200375 0.96286964671845 0.89097153590650 15.999 > 4 16 O 0.85905790200375 0.96286964671845 0.89097153590650 15.999 > 4 17 O 0.35905790200375 0.53713035328155 0.39097153590650 15.999 > 5 18 O 0.85905790200375 0.53713035328155 0.39097153590650 15.999 > 5 19 O 0.35905790200375 0.53713035328155 0.89097153590650 15.999 > 5 20 O 0.85905790200375 0.53713035328155 0.89097153590650 15.999 > 5 21 O 0.39094209799625 0.46286964671845 0.14097153590650 15.999 > 6 22 O 0.89094209799625 0.46286964671845 0.14097153590650 15.999 > 6 23 O 0.39094209799625 0.46286964671845 0.64097153590650 15.999 > 6 24 O 0.89094209799625 0.46286964671845 0.64097153590650 15.999 > 6 25 O 0.10905790200375 0.96286964671845 0.35902846409350 15.999 > 7 26 O 0.60905790200375 0.96286964671845 0.35902846409350 15.999 > 7 27 O 0.10905790200375 0.96286964671845 0.85902846409350 15.999 > 7 28 O 0.60905790200375 0.96286964671845 0.85902846409350 15.999 > 7 29 O 0.14094209799625 0.03713035328155 0.10902846409350 15.999 > 8 30 O 0.64094209799625 0.03713035328155 0.10902846409350 15.999 > 8 31 O 0.14094209799625 0.03713035328155 0.60902846409350 15.999 > 8 32 O 0.64094209799625 0.03713035328155 0.60902846409350 15.999 > 8 *33 O 0.49222703522278 0.25000000000000 0.46480559490779 15.999 > 9 34 O 0.99222703522278 0.25000000000000 0.46480559490779 15.999 > 9 35 O 0.49222703522278 0.25000000000000 0.96480559490779 15.999 > 9 36 O 0.99222703522278 0.25000000000000 0.96480559490779 15.999 > 9 37 O 0.25777296477722 0.75000000000000 0.21480559490779 15.999 > 10 38 O 0.75777296477722 0.75000000000000 0.21480559490779 15.999 > 10 39 O 0.25777296477722 0.75000000000000 0.71480559490779 15.999 > 10 40 O 0.75777296477722 0.75000000000000 0.71480559490779 15.999 > 10 41 O 0.24222703522278 0.25000000000000 0.28519440509221 15.999 > 11 42 O 0.74222703522278 0.25000000000000 0.28519440509221 15.999 > 11 43 O 0.24222703522278 0.25000000000000 0.78519440509221 15.999 > 11 44 O 0.74222703522278 0.25000000000000 0.78519440509221 15.999 > 11 45 O 0.00777296477722 0.75000000000000 0.03519440509221 15.999 > 12 46 O 0.50777296477722 0.75000000000000 0.03519440509221 15.999 > 12 47 O 0.00777296477722 0.75000000000000 0.53519440509221 15.999 > 12 48 O 0.50777296477722 0.75000000000000 0.53519440509221 15.999 > 12 *49 Sr 0.26362193689562 0.25000000000000 0.00311467327636 87.620 > 13 50 Sr 0.76362193689562 0.25000000000000 0.00311467327636 87.620 > 13 51 Sr 0.26362193689562 0.25000000000000 0.50311467327636 87.620 > 13 52 Sr 0.76362193689562 0.25000000000000 0.50311467327636 87.620 > 13 53 Sr 0.48637806310438 0.75000000000000 0.25311467327636 87.620 > 14 54 Sr 0.98637806310438 0.75000000000000 0.25311467327636 87.620 > 14 55 Sr 0.48637806310438 0.75000000000000 0.75311467327636 87.620 > 14 56 Sr 0.98637806310438 0.75000000000000 0.75311467327636 87.620 > 14 57 Sr 0.01362193689562 0.25000000000000 0.24688532672364 87.620 > 15 58 Sr 0.51362193689562 0.25000000000000 0.24688532672364 87.620 > 15 59 Sr 0.01362193689562 0.25000000000000 0.74688532672364 87.620 > 15 60 Sr 0.51362193689562 0.25000000000000 0.74688532672364 87.620 > 15 61 Sr 0.23637806310438 0.75000000000000 0.49688532672364 87.620 > 16 62 Sr 0.73637806310438 0.75000000000000 0.49688532672364 87.620 > 16 63 Sr 0.23637806310438 0.75000000000000 0.99688532672364 87.620 > 16 64 Sr 0.73637806310438 0.75000000000000 0.99688532672364 87.620 > 16 *65 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 17 66 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 17 67 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 17 68 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 17 69 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 18 70 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 18 71 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 18 72 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 18 73 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 19 74 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 19 75 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 19 76 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 19 77 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 20 78 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 20 79 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 20 80 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4631397 0.0000000 0.0000000 0.0000000 4.4803612 0.0000000 0.0000000 0.0000000 4.4811136 -------------------------- Born effective charges -------------------------- 1 O -3.1830599 0.0535646 -1.2761584 0.0666021 -1.8598860 -0.0002867 -1.2462377 -0.0005753 -3.1475578 2 O -3.1830599 0.0535646 1.2761584 0.0666021 -1.8598860 0.0002867 1.2462377 0.0005753 -3.1475578 3 O -3.1830599 -0.0535646 1.2761584 -0.0666021 -1.8598860 -0.0002867 1.2462377 -0.0005753 -3.1475578 4 O -3.1830599 -0.0535646 -1.2761584 -0.0666021 -1.8598860 0.0002867 -1.2462377 0.0005753 -3.1475578 5 O -3.1830599 0.0535646 -1.2761584 0.0666021 -1.8598860 -0.0002867 -1.2462377 -0.0005753 -3.1475578 6 O -3.1830599 0.0535646 1.2761584 0.0666021 -1.8598860 0.0002867 1.2462377 0.0005753 -3.1475578 7 O -3.1830599 -0.0535646 1.2761584 -0.0666021 -1.8598860 -0.0002867 1.2462377 -0.0005753 -3.1475578 8 O -3.1830599 -0.0535646 -1.2761584 -0.0666021 -1.8598860 0.0002867 -1.2462377 0.0005753 -3.1475578 9 O -1.7990574 0.0000000 0.0698982 0.0000000 -4.4805922 0.0000000 0.0203758 0.0000000 -1.9905914 10 O -1.7990574 0.0000000 -0.0698982 0.0000000 -4.4805922 0.0000000 -0.0203758 0.0000000 -1.9905914 11 O -1.7990574 0.0000000 -0.0698982 0.0000000 -4.4805922 0.0000000 -0.0203758 0.0000000 -1.9905914 12 O -1.7990574 0.0000000 0.0698982 0.0000000 -4.4805922 0.0000000 0.0203758 0.0000000 -1.9905914 13 Sr 2.4915946 0.0000000 -0.1198819 0.0000000 2.4828482 0.0000000 -0.1129612 0.0000000 2.5709609 14 Sr 2.4915946 0.0000000 0.1198819 0.0000000 2.4828482 0.0000000 0.1129612 0.0000000 2.5709609 15 Sr 2.4915946 0.0000000 0.1198819 0.0000000 2.4828482 0.0000000 0.1129612 0.0000000 2.5709609 16 Sr 2.4915946 0.0000000 -0.1198819 0.0000000 2.4828482 0.0000000 -0.1129612 0.0000000 2.5709609 17 Hf 5.6735825 -0.0646433 -0.1501138 -0.1043080 5.7175159 -0.2587554 0.2487821 0.4047716 5.7147461 18 Hf 5.6735825 -0.0646433 0.1501138 -0.1043080 5.7175159 0.2587554 -0.2487821 -0.4047716 5.7147461 19 Hf 5.6735825 0.0646433 0.1501138 0.1043080 5.7175159 -0.2587554 -0.2487821 0.4047716 5.7147461 20 Hf 5.6735825 0.0646433 -0.1501138 0.1043080 5.7175159 0.2587554 0.2487821 -0.4047716 5.7147461 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.743 Solver_block: 200 / 320 - Time: 0.743 Solver_block: 300 / 320 - Time: 0.742 Solver_block: 320 / 320 - Time: 0.188 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.431 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) 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 19:31:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:31:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.766151730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.115002520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.735056050000000 Atomic positions (fractional): 1 O 0.28188419599249 0.46286964671845 0.21805692818700 15.999 2 O 0.21811580400751 0.53713035328155 0.71805692818700 15.999 3 O 0.78188419599249 0.03713035328155 0.28194307181300 15.999 4 O 0.71811580400751 0.96286964671845 0.78194307181300 15.999 5 O 0.71811580400751 0.53713035328155 0.78194307181300 15.999 6 O 0.78188419599249 0.46286964671845 0.28194307181300 15.999 7 O 0.21811580400751 0.96286964671845 0.71805692818700 15.999 8 O 0.28188419599249 0.03713035328155 0.21805692818700 15.999 9 O 0.98445407044555 0.25000000000000 0.92961118981559 15.999 10 O 0.51554592955445 0.75000000000000 0.42961118981559 15.999 11 O 0.48445407044555 0.25000000000000 0.57038881018441 15.999 12 O 0.01554592955445 0.75000000000000 0.07038881018441 15.999 13 Sr 0.52724387379124 0.25000000000000 0.00622934655272 87.620 14 Sr 0.97275612620876 0.75000000000000 0.50622934655272 87.620 15 Sr 0.02724387379124 0.25000000000000 0.49377065344728 87.620 16 Sr 0.47275612620876 0.75000000000000 0.99377065344728 87.620 17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 18 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 19 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 20 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.532303460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.115002520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.470112100000000 Atomic positions (fractional): 1 O 0.14094209799625 0.46286964671845 0.10902846409350 15.999 > 1 2 O 0.64094209799625 0.46286964671845 0.10902846409350 15.999 > 1 3 O 0.14094209799625 0.46286964671845 0.60902846409350 15.999 > 1 4 O 0.64094209799625 0.46286964671845 0.60902846409350 15.999 > 1 5 O 0.10905790200375 0.53713035328155 0.35902846409350 15.999 > 5 6 O 0.60905790200375 0.53713035328155 0.35902846409350 15.999 > 5 7 O 0.10905790200375 0.53713035328155 0.85902846409350 15.999 > 5 8 O 0.60905790200375 0.53713035328155 0.85902846409350 15.999 > 5 9 O 0.39094209799625 0.03713035328155 0.14097153590650 15.999 > 9 10 O 0.89094209799625 0.03713035328155 0.14097153590650 15.999 > 9 11 O 0.39094209799625 0.03713035328155 0.64097153590650 15.999 > 9 12 O 0.89094209799625 0.03713035328155 0.64097153590650 15.999 > 9 13 O 0.35905790200375 0.96286964671845 0.39097153590650 15.999 > 13 14 O 0.85905790200375 0.96286964671845 0.39097153590650 15.999 > 13 15 O 0.35905790200375 0.96286964671845 0.89097153590650 15.999 > 13 16 O 0.85905790200375 0.96286964671845 0.89097153590650 15.999 > 13 17 O 0.35905790200375 0.53713035328155 0.39097153590650 15.999 > 17 18 O 0.85905790200375 0.53713035328155 0.39097153590650 15.999 > 17 19 O 0.35905790200375 0.53713035328155 0.89097153590650 15.999 > 17 20 O 0.85905790200375 0.53713035328155 0.89097153590650 15.999 > 17 21 O 0.39094209799625 0.46286964671845 0.14097153590650 15.999 > 21 22 O 0.89094209799625 0.46286964671845 0.14097153590650 15.999 > 21 23 O 0.39094209799625 0.46286964671845 0.64097153590650 15.999 > 21 24 O 0.89094209799625 0.46286964671845 0.64097153590650 15.999 > 21 25 O 0.10905790200375 0.96286964671845 0.35902846409350 15.999 > 25 26 O 0.60905790200375 0.96286964671845 0.35902846409350 15.999 > 25 27 O 0.10905790200375 0.96286964671845 0.85902846409350 15.999 > 25 28 O 0.60905790200375 0.96286964671845 0.85902846409350 15.999 > 25 29 O 0.14094209799625 0.03713035328155 0.10902846409350 15.999 > 29 30 O 0.64094209799625 0.03713035328155 0.10902846409350 15.999 > 29 31 O 0.14094209799625 0.03713035328155 0.60902846409350 15.999 > 29 32 O 0.64094209799625 0.03713035328155 0.60902846409350 15.999 > 29 33 O 0.49222703522278 0.25000000000000 0.46480559490779 15.999 > 33 34 O 0.99222703522278 0.25000000000000 0.46480559490779 15.999 > 33 35 O 0.49222703522278 0.25000000000000 0.96480559490779 15.999 > 33 36 O 0.99222703522278 0.25000000000000 0.96480559490779 15.999 > 33 37 O 0.25777296477722 0.75000000000000 0.21480559490779 15.999 > 37 38 O 0.75777296477722 0.75000000000000 0.21480559490779 15.999 > 37 39 O 0.25777296477722 0.75000000000000 0.71480559490779 15.999 > 37 40 O 0.75777296477722 0.75000000000000 0.71480559490779 15.999 > 37 41 O 0.24222703522278 0.25000000000000 0.28519440509221 15.999 > 41 42 O 0.74222703522278 0.25000000000000 0.28519440509221 15.999 > 41 43 O 0.24222703522278 0.25000000000000 0.78519440509221 15.999 > 41 44 O 0.74222703522278 0.25000000000000 0.78519440509221 15.999 > 41 45 O 0.00777296477722 0.75000000000000 0.03519440509221 15.999 > 45 46 O 0.50777296477722 0.75000000000000 0.03519440509221 15.999 > 45 47 O 0.00777296477722 0.75000000000000 0.53519440509221 15.999 > 45 48 O 0.50777296477722 0.75000000000000 0.53519440509221 15.999 > 45 49 Sr 0.26362193689562 0.25000000000000 0.00311467327636 87.620 > 49 50 Sr 0.76362193689562 0.25000000000000 0.00311467327636 87.620 > 49 51 Sr 0.26362193689562 0.25000000000000 0.50311467327636 87.620 > 49 52 Sr 0.76362193689562 0.25000000000000 0.50311467327636 87.620 > 49 53 Sr 0.48637806310438 0.75000000000000 0.25311467327636 87.620 > 53 54 Sr 0.98637806310438 0.75000000000000 0.25311467327636 87.620 > 53 55 Sr 0.48637806310438 0.75000000000000 0.75311467327636 87.620 > 53 56 Sr 0.98637806310438 0.75000000000000 0.75311467327636 87.620 > 53 57 Sr 0.01362193689562 0.25000000000000 0.24688532672364 87.620 > 57 58 Sr 0.51362193689562 0.25000000000000 0.24688532672364 87.620 > 57 59 Sr 0.01362193689562 0.25000000000000 0.74688532672364 87.620 > 57 60 Sr 0.51362193689562 0.25000000000000 0.74688532672364 87.620 > 57 61 Sr 0.23637806310438 0.75000000000000 0.49688532672364 87.620 > 61 62 Sr 0.73637806310438 0.75000000000000 0.49688532672364 87.620 > 61 63 Sr 0.23637806310438 0.75000000000000 0.99688532672364 87.620 > 61 64 Sr 0.73637806310438 0.75000000000000 0.99688532672364 87.620 > 61 65 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 65 66 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 65 67 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 65 68 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 65 69 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 69 70 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 69 71 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 69 72 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 69 73 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 73 74 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 73 75 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 73 76 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 73 77 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 77 78 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 77 79 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 77 80 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4631397 0.0000000 0.0000000 0.0000000 4.4803612 0.0000000 0.0000000 0.0000000 4.4811136 -------------------------- Born effective charges -------------------------- 1 O -3.1830599 0.0535646 -1.2761584 0.0666021 -1.8598860 -0.0002867 -1.2462377 -0.0005753 -3.1475578 2 O -3.1830599 0.0535646 1.2761584 0.0666021 -1.8598860 0.0002867 1.2462377 0.0005753 -3.1475578 3 O -3.1830599 -0.0535646 1.2761584 -0.0666021 -1.8598860 -0.0002867 1.2462377 -0.0005753 -3.1475578 4 O -3.1830599 -0.0535646 -1.2761584 -0.0666021 -1.8598860 0.0002867 -1.2462377 0.0005753 -3.1475578 5 O -3.1830599 0.0535646 -1.2761584 0.0666021 -1.8598860 -0.0002867 -1.2462377 -0.0005753 -3.1475578 6 O -3.1830599 0.0535646 1.2761584 0.0666021 -1.8598860 0.0002867 1.2462377 0.0005753 -3.1475578 7 O -3.1830599 -0.0535646 1.2761584 -0.0666021 -1.8598860 -0.0002867 1.2462377 -0.0005753 -3.1475578 8 O -3.1830599 -0.0535646 -1.2761584 -0.0666021 -1.8598860 0.0002867 -1.2462377 0.0005753 -3.1475578 9 O -1.7990574 0.0000000 0.0698982 0.0000000 -4.4805922 0.0000000 0.0203758 0.0000000 -1.9905914 10 O -1.7990574 0.0000000 -0.0698982 0.0000000 -4.4805922 0.0000000 -0.0203758 0.0000000 -1.9905914 11 O -1.7990574 0.0000000 -0.0698982 0.0000000 -4.4805922 0.0000000 -0.0203758 0.0000000 -1.9905914 12 O -1.7990574 0.0000000 0.0698982 0.0000000 -4.4805922 0.0000000 0.0203758 0.0000000 -1.9905914 13 Sr 2.4915946 0.0000000 -0.1198819 0.0000000 2.4828482 0.0000000 -0.1129612 0.0000000 2.5709609 14 Sr 2.4915946 0.0000000 0.1198819 0.0000000 2.4828482 0.0000000 0.1129612 0.0000000 2.5709609 15 Sr 2.4915946 0.0000000 0.1198819 0.0000000 2.4828482 0.0000000 0.1129612 0.0000000 2.5709609 16 Sr 2.4915946 0.0000000 -0.1198819 0.0000000 2.4828482 0.0000000 -0.1129612 0.0000000 2.5709609 17 Hf 5.6735825 -0.0646433 -0.1501138 -0.1043080 5.7175159 -0.2587554 0.2487821 0.4047716 5.7147461 18 Hf 5.6735825 -0.0646433 0.1501138 -0.1043080 5.7175159 0.2587554 -0.2487821 -0.4047716 5.7147461 19 Hf 5.6735825 0.0646433 0.1501138 0.1043080 5.7175159 -0.2587554 -0.2487821 0.4047716 5.7147461 20 Hf 5.6735825 0.0646433 -0.1501138 0.1043080 5.7175159 0.2587554 0.2487821 -0.4047716 5.7147461 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zy) 0.00000003 (zy) 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 19:31:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:31:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.766151730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.115002520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.735056050000000 Atomic positions (fractional): 1 O 0.28188419599249 0.46286964671845 0.21805692818700 15.999 2 O 0.21811580400751 0.53713035328155 0.71805692818700 15.999 3 O 0.78188419599249 0.03713035328155 0.28194307181300 15.999 4 O 0.71811580400751 0.96286964671845 0.78194307181300 15.999 5 O 0.71811580400751 0.53713035328155 0.78194307181300 15.999 6 O 0.78188419599249 0.46286964671845 0.28194307181300 15.999 7 O 0.21811580400751 0.96286964671845 0.71805692818700 15.999 8 O 0.28188419599249 0.03713035328155 0.21805692818700 15.999 9 O 0.98445407044555 0.25000000000000 0.92961118981559 15.999 10 O 0.51554592955445 0.75000000000000 0.42961118981559 15.999 11 O 0.48445407044555 0.25000000000000 0.57038881018441 15.999 12 O 0.01554592955445 0.75000000000000 0.07038881018441 15.999 13 Sr 0.52724387379124 0.25000000000000 0.00622934655272 87.620 14 Sr 0.97275612620876 0.75000000000000 0.50622934655272 87.620 15 Sr 0.02724387379124 0.25000000000000 0.49377065344728 87.620 16 Sr 0.47275612620876 0.75000000000000 0.99377065344728 87.620 17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 18 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 19 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 20 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.532303460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.115002520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.470112100000000 Atomic positions (fractional): 1 O 0.14094209799625 0.46286964671845 0.10902846409350 15.999 > 1 2 O 0.64094209799625 0.46286964671845 0.10902846409350 15.999 > 1 3 O 0.14094209799625 0.46286964671845 0.60902846409350 15.999 > 1 4 O 0.64094209799625 0.46286964671845 0.60902846409350 15.999 > 1 5 O 0.10905790200375 0.53713035328155 0.35902846409350 15.999 > 5 6 O 0.60905790200375 0.53713035328155 0.35902846409350 15.999 > 5 7 O 0.10905790200375 0.53713035328155 0.85902846409350 15.999 > 5 8 O 0.60905790200375 0.53713035328155 0.85902846409350 15.999 > 5 9 O 0.39094209799625 0.03713035328155 0.14097153590650 15.999 > 9 10 O 0.89094209799625 0.03713035328155 0.14097153590650 15.999 > 9 11 O 0.39094209799625 0.03713035328155 0.64097153590650 15.999 > 9 12 O 0.89094209799625 0.03713035328155 0.64097153590650 15.999 > 9 13 O 0.35905790200375 0.96286964671845 0.39097153590650 15.999 > 13 14 O 0.85905790200375 0.96286964671845 0.39097153590650 15.999 > 13 15 O 0.35905790200375 0.96286964671845 0.89097153590650 15.999 > 13 16 O 0.85905790200375 0.96286964671845 0.89097153590650 15.999 > 13 17 O 0.35905790200375 0.53713035328155 0.39097153590650 15.999 > 17 18 O 0.85905790200375 0.53713035328155 0.39097153590650 15.999 > 17 19 O 0.35905790200375 0.53713035328155 0.89097153590650 15.999 > 17 20 O 0.85905790200375 0.53713035328155 0.89097153590650 15.999 > 17 21 O 0.39094209799625 0.46286964671845 0.14097153590650 15.999 > 21 22 O 0.89094209799625 0.46286964671845 0.14097153590650 15.999 > 21 23 O 0.39094209799625 0.46286964671845 0.64097153590650 15.999 > 21 24 O 0.89094209799625 0.46286964671845 0.64097153590650 15.999 > 21 25 O 0.10905790200375 0.96286964671845 0.35902846409350 15.999 > 25 26 O 0.60905790200375 0.96286964671845 0.35902846409350 15.999 > 25 27 O 0.10905790200375 0.96286964671845 0.85902846409350 15.999 > 25 28 O 0.60905790200375 0.96286964671845 0.85902846409350 15.999 > 25 29 O 0.14094209799625 0.03713035328155 0.10902846409350 15.999 > 29 30 O 0.64094209799625 0.03713035328155 0.10902846409350 15.999 > 29 31 O 0.14094209799625 0.03713035328155 0.60902846409350 15.999 > 29 32 O 0.64094209799625 0.03713035328155 0.60902846409350 15.999 > 29 33 O 0.49222703522278 0.25000000000000 0.46480559490779 15.999 > 33 34 O 0.99222703522278 0.25000000000000 0.46480559490779 15.999 > 33 35 O 0.49222703522278 0.25000000000000 0.96480559490779 15.999 > 33 36 O 0.99222703522278 0.25000000000000 0.96480559490779 15.999 > 33 37 O 0.25777296477722 0.75000000000000 0.21480559490779 15.999 > 37 38 O 0.75777296477722 0.75000000000000 0.21480559490779 15.999 > 37 39 O 0.25777296477722 0.75000000000000 0.71480559490779 15.999 > 37 40 O 0.75777296477722 0.75000000000000 0.71480559490779 15.999 > 37 41 O 0.24222703522278 0.25000000000000 0.28519440509221 15.999 > 41 42 O 0.74222703522278 0.25000000000000 0.28519440509221 15.999 > 41 43 O 0.24222703522278 0.25000000000000 0.78519440509221 15.999 > 41 44 O 0.74222703522278 0.25000000000000 0.78519440509221 15.999 > 41 45 O 0.00777296477722 0.75000000000000 0.03519440509221 15.999 > 45 46 O 0.50777296477722 0.75000000000000 0.03519440509221 15.999 > 45 47 O 0.00777296477722 0.75000000000000 0.53519440509221 15.999 > 45 48 O 0.50777296477722 0.75000000000000 0.53519440509221 15.999 > 45 49 Sr 0.26362193689562 0.25000000000000 0.00311467327636 87.620 > 49 50 Sr 0.76362193689562 0.25000000000000 0.00311467327636 87.620 > 49 51 Sr 0.26362193689562 0.25000000000000 0.50311467327636 87.620 > 49 52 Sr 0.76362193689562 0.25000000000000 0.50311467327636 87.620 > 49 53 Sr 0.48637806310438 0.75000000000000 0.25311467327636 87.620 > 53 54 Sr 0.98637806310438 0.75000000000000 0.25311467327636 87.620 > 53 55 Sr 0.48637806310438 0.75000000000000 0.75311467327636 87.620 > 53 56 Sr 0.98637806310438 0.75000000000000 0.75311467327636 87.620 > 53 57 Sr 0.01362193689562 0.25000000000000 0.24688532672364 87.620 > 57 58 Sr 0.51362193689562 0.25000000000000 0.24688532672364 87.620 > 57 59 Sr 0.01362193689562 0.25000000000000 0.74688532672364 87.620 > 57 60 Sr 0.51362193689562 0.25000000000000 0.74688532672364 87.620 > 57 61 Sr 0.23637806310438 0.75000000000000 0.49688532672364 87.620 > 61 62 Sr 0.73637806310438 0.75000000000000 0.49688532672364 87.620 > 61 63 Sr 0.23637806310438 0.75000000000000 0.99688532672364 87.620 > 61 64 Sr 0.73637806310438 0.75000000000000 0.99688532672364 87.620 > 61 65 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 65 66 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 65 67 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 65 68 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 65 69 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 69 70 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 69 71 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 69 72 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 69 73 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 73 74 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 73 75 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 73 76 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 73 77 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 77 78 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 77 79 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 77 80 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4631397 0.0000000 0.0000000 0.0000000 4.4803612 0.0000000 0.0000000 0.0000000 4.4811136 -------------------------- Born effective charges -------------------------- 1 O -3.1830599 0.0535646 -1.2761584 0.0666021 -1.8598860 -0.0002867 -1.2462377 -0.0005753 -3.1475578 2 O -3.1830599 0.0535646 1.2761584 0.0666021 -1.8598860 0.0002867 1.2462377 0.0005753 -3.1475578 3 O -3.1830599 -0.0535646 1.2761584 -0.0666021 -1.8598860 -0.0002867 1.2462377 -0.0005753 -3.1475578 4 O -3.1830599 -0.0535646 -1.2761584 -0.0666021 -1.8598860 0.0002867 -1.2462377 0.0005753 -3.1475578 5 O -3.1830599 0.0535646 -1.2761584 0.0666021 -1.8598860 -0.0002867 -1.2462377 -0.0005753 -3.1475578 6 O -3.1830599 0.0535646 1.2761584 0.0666021 -1.8598860 0.0002867 1.2462377 0.0005753 -3.1475578 7 O -3.1830599 -0.0535646 1.2761584 -0.0666021 -1.8598860 -0.0002867 1.2462377 -0.0005753 -3.1475578 8 O -3.1830599 -0.0535646 -1.2761584 -0.0666021 -1.8598860 0.0002867 -1.2462377 0.0005753 -3.1475578 9 O -1.7990574 0.0000000 0.0698982 0.0000000 -4.4805922 0.0000000 0.0203758 0.0000000 -1.9905914 10 O -1.7990574 0.0000000 -0.0698982 0.0000000 -4.4805922 0.0000000 -0.0203758 0.0000000 -1.9905914 11 O -1.7990574 0.0000000 -0.0698982 0.0000000 -4.4805922 0.0000000 -0.0203758 0.0000000 -1.9905914 12 O -1.7990574 0.0000000 0.0698982 0.0000000 -4.4805922 0.0000000 0.0203758 0.0000000 -1.9905914 13 Sr 2.4915946 0.0000000 -0.1198819 0.0000000 2.4828482 0.0000000 -0.1129612 0.0000000 2.5709609 14 Sr 2.4915946 0.0000000 0.1198819 0.0000000 2.4828482 0.0000000 0.1129612 0.0000000 2.5709609 15 Sr 2.4915946 0.0000000 0.1198819 0.0000000 2.4828482 0.0000000 0.1129612 0.0000000 2.5709609 16 Sr 2.4915946 0.0000000 -0.1198819 0.0000000 2.4828482 0.0000000 -0.1129612 0.0000000 2.5709609 17 Hf 5.6735825 -0.0646433 -0.1501138 -0.1043080 5.7175159 -0.2587554 0.2487821 0.4047716 5.7147461 18 Hf 5.6735825 -0.0646433 0.1501138 -0.1043080 5.7175159 0.2587554 -0.2487821 -0.4047716 5.7147461 19 Hf 5.6735825 0.0646433 0.1501138 0.1043080 5.7175159 -0.2587554 -0.2487821 0.4047716 5.7147461 20 Hf 5.6735825 0.0646433 -0.1501138 0.1043080 5.7175159 0.2587554 0.2487821 -0.4047716 5.7147461 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 319, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 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 2.562 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 6.019 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 8.241 ( 0.000 0.000 0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 8.989 ( 0.000 0.000 0.000) 0.000 9.601 ( 0.000 0.000 0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 0.000) 0.000 12.048 ( 0.000 0.000 0.000) 0.000 12.313 ( 0.000 0.000 0.000) 0.000 12.726 ( 0.000 0.000 0.000) 0.000 13.074 ( 0.000 0.000 0.000) 0.000 15.314 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 15.854 ( 0.000 0.000 0.000) 0.000 15.922 ( 0.000 0.000 0.000) 0.000 16.029 ( 0.000 0.000 0.000) 0.000 16.296 ( 0.000 0.000 0.000) 0.000 17.745 ( 0.000 0.000 0.000) 0.000 17.786 ( 0.000 0.000 0.000) 0.000 17.962 ( 0.000 0.000 0.000) 0.000 22.344 ( 0.000 0.000 0.000) 0.000 23.540 ( 0.000 0.000 0.000) 0.000 24.319 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 33.995 0.000 0.000) 33.995 0.704 ( 35.105 0.000 0.000) 35.105 1.151 ( 57.534 0.000 0.000) 57.534 2.663 ( 9.813 0.000 0.000) 9.813 2.693 ( -4.877 0.000 0.000) 4.877 2.758 ( 2.533 0.000 0.000) 2.533 2.869 ( 0.277 0.000 0.000) 0.277 3.105 ( -1.146 0.000 0.000) 1.146 3.292 ( -3.510 0.000 0.000) 3.510 3.298 ( 1.664 0.000 0.000) 1.664 3.422 ( 5.625 0.000 0.000) 5.625 3.505 ( -4.519 0.000 0.000) 4.519 3.687 ( -1.618 0.000 0.000) 1.618 3.833 ( 2.186 0.000 0.000) 2.186 3.833 ( -8.485 0.000 0.000) 8.485 4.202 ( -4.855 0.000 0.000) 4.855 4.241 ( 0.940 0.000 0.000) 0.940 4.316 ( 19.313 0.000 0.000) 19.313 4.429 ( 10.372 0.000 0.000) 10.372 4.808 ( -0.889 0.000 0.000) 0.889 5.096 ( -1.115 0.000 0.000) 1.115 5.214 ( 4.039 0.000 0.000) 4.039 5.497 ( -3.182 0.000 0.000) 3.182 5.809 ( 4.126 0.000 0.000) 4.126 5.935 ( 13.911 0.000 0.000) 13.911 6.105 ( 1.226 0.000 0.000) 1.226 6.390 ( 4.128 0.000 0.000) 4.128 6.647 ( 11.462 0.000 0.000) 11.462 6.681 ( 16.349 0.000 0.000) 16.349 6.822 ( -3.518 0.000 0.000) 3.518 6.925 ( -0.267 0.000 0.000) 0.267 7.513 ( 1.604 0.000 0.000) 1.604 8.299 ( 1.791 0.000 0.000) 1.791 8.316 ( -6.316 0.000 0.000) 6.316 8.379 ( 15.040 0.000 0.000) 15.040 8.524 ( 2.854 0.000 0.000) 2.854 8.740 ( -6.961 0.000 0.000) 6.961 8.836 ( -13.421 0.000 0.000) 13.421 9.563 ( -3.761 0.000 0.000) 3.761 9.726 ( -6.275 0.000 0.000) 6.275 10.103 ( 17.358 0.000 0.000) 17.358 10.411 ( -5.575 0.000 0.000) 5.575 11.434 ( 6.573 0.000 0.000) 6.573 11.667 ( 4.493 0.000 0.000) 4.493 11.986 ( -6.463 0.000 0.000) 6.463 12.269 ( -4.490 0.000 0.000) 4.490 12.824 ( -0.535 0.000 0.000) 0.535 13.050 ( -2.421 0.000 0.000) 2.421 15.345 ( 3.096 0.000 0.000) 3.096 15.683 ( 15.501 0.000 0.000) 15.501 15.975 ( 5.582 0.000 0.000) 5.582 16.016 ( -1.144 0.000 0.000) 1.144 16.346 ( 5.232 0.000 0.000) 5.232 17.705 ( -4.173 0.000 0.000) 4.173 17.785 ( -0.240 0.000 0.000) 0.240 17.924 ( -3.998 0.000 0.000) 3.998 21.131 ( 8.498 0.000 0.000) 8.498 22.391 ( 4.980 0.000 0.000) 4.980 23.474 ( -6.789 0.000 0.000) 6.789 24.286 ( -3.615 0.000 0.000) 3.615 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 30.859 0.000 0.000) 30.859 1.333 ( 29.838 0.000 0.000) 29.838 2.150 ( 42.594 0.000 0.000) 42.594 2.621 ( -1.221 0.000 0.000) 1.221 2.793 ( -6.496 0.000 0.000) 6.496 2.805 ( 3.723 0.000 0.000) 3.723 2.891 ( 11.719 0.000 0.000) 11.719 3.082 ( 0.379 0.000 0.000) 0.379 3.198 ( -5.509 0.000 0.000) 5.509 3.379 ( 5.898 0.000 0.000) 5.898 3.382 ( -8.021 0.000 0.000) 8.021 3.481 ( -6.764 0.000 0.000) 6.764 3.725 ( 5.460 0.000 0.000) 5.460 3.756 ( 5.230 0.000 0.000) 5.230 3.836 ( -1.604 0.000 0.000) 1.604 4.054 ( -10.212 0.000 0.000) 10.212 4.351 ( 9.973 0.000 0.000) 9.973 4.621 ( 8.478 0.000 0.000) 8.478 4.675 ( 14.448 0.000 0.000) 14.448 4.931 ( 16.934 0.000 0.000) 16.934 5.106 ( 1.926 0.000 0.000) 1.926 5.297 ( 4.421 0.000 0.000) 4.421 5.391 ( -7.982 0.000 0.000) 7.982 5.906 ( 5.921 0.000 0.000) 5.921 6.112 ( -1.055 0.000 0.000) 1.055 6.264 ( 18.200 0.000 0.000) 18.200 6.487 ( 5.216 0.000 0.000) 5.216 6.667 ( -7.330 0.000 0.000) 7.330 6.907 ( -1.399 0.000 0.000) 1.399 6.996 ( 18.490 0.000 0.000) 18.490 7.002 ( 15.267 0.000 0.000) 15.267 7.571 ( 4.541 0.000 0.000) 4.541 8.162 ( -8.484 0.000 0.000) 8.484 8.354 ( 3.960 0.000 0.000) 3.960 8.529 ( -13.750 0.000 0.000) 13.750 8.548 ( -12.533 0.000 0.000) 12.533 8.638 ( 5.439 0.000 0.000) 5.439 8.814 ( 26.990 0.000 0.000) 26.990 9.483 ( -2.268 0.000 0.000) 2.268 9.572 ( -9.842 0.000 0.000) 9.842 10.250 ( -11.068 0.000 0.000) 11.068 10.476 ( 20.562 0.000 0.000) 20.562 11.598 ( 9.593 0.000 0.000) 9.593 11.784 ( 7.173 0.000 0.000) 7.173 11.798 ( -13.131 0.000 0.000) 13.131 12.145 ( -8.057 0.000 0.000) 8.057 12.807 ( -1.234 0.000 0.000) 1.234 12.984 ( -4.314 0.000 0.000) 4.314 15.427 ( 5.150 0.000 0.000) 5.150 15.932 ( -0.419 0.000 0.000) 0.419 16.138 ( 11.296 0.000 0.000) 11.296 16.140 ( 23.441 0.000 0.000) 23.441 16.496 ( 10.183 0.000 0.000) 10.183 17.582 ( -8.655 0.000 0.000) 8.655 17.766 ( -2.199 0.000 0.000) 2.199 17.806 ( -8.275 0.000 0.000) 8.275 21.368 ( 15.795 0.000 0.000) 15.795 22.545 ( 11.230 0.000 0.000) 11.230 23.282 ( -13.097 0.000 0.000) 13.097 24.171 ( -8.514 0.000 0.000) 8.514 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 26.375 0.000 0.000) 26.375 1.855 ( 24.570 0.000 0.000) 24.570 2.585 ( 6.697 0.000 0.000) 6.697 2.671 ( 6.193 0.000 0.000) 6.193 2.695 ( -2.355 0.000 0.000) 2.355 2.844 ( -4.568 0.000 0.000) 4.568 2.931 ( -9.151 0.000 0.000) 9.151 3.141 ( -7.844 0.000 0.000) 7.844 3.207 ( -9.537 0.000 0.000) 9.537 3.323 ( 3.023 0.000 0.000) 3.023 3.388 ( 30.965 0.000 0.000) 30.965 3.441 ( -1.856 0.000 0.000) 1.856 3.791 ( -2.090 0.000 0.000) 2.090 3.802 ( -1.432 0.000 0.000) 1.432 3.867 ( -5.626 0.000 0.000) 5.626 3.988 ( 17.690 0.000 0.000) 17.690 4.561 ( 9.671 0.000 0.000) 9.671 4.698 ( 0.463 0.000 0.000) 0.463 4.963 ( 14.894 0.000 0.000) 14.894 5.145 ( 1.147 0.000 0.000) 1.147 5.192 ( -11.920 0.000 0.000) 11.920 5.325 ( 19.948 0.000 0.000) 19.948 5.372 ( 2.833 0.000 0.000) 2.833 6.048 ( -5.781 0.000 0.000) 5.781 6.053 ( 9.999 0.000 0.000) 9.999 6.524 ( -6.380 0.000 0.000) 6.380 6.532 ( 6.109 0.000 0.000) 6.109 6.555 ( 0.896 0.000 0.000) 0.896 6.928 ( 6.560 0.000 0.000) 6.560 7.279 ( 14.461 0.000 0.000) 14.461 7.333 ( 14.255 0.000 0.000) 14.255 7.644 ( 0.135 0.000 0.000) 0.135 8.094 ( 5.808 0.000 0.000) 5.808 8.235 ( -15.239 0.000 0.000) 15.239 8.253 ( -16.306 0.000 0.000) 16.306 8.476 ( 7.338 0.000 0.000) 7.338 8.798 ( 7.633 0.000 0.000) 7.633 9.069 ( -4.333 0.000 0.000) 4.333 9.368 ( -9.372 0.000 0.000) 9.372 9.749 ( 31.704 0.000 0.000) 31.704 9.992 ( -15.354 0.000 0.000) 15.354 10.874 ( 20.422 0.000 0.000) 20.422 11.477 ( -20.235 0.000 0.000) 20.235 11.739 ( 1.394 0.000 0.000) 1.394 11.924 ( 6.845 0.000 0.000) 6.845 11.996 ( -4.525 0.000 0.000) 4.525 12.779 ( -1.416 0.000 0.000) 1.416 12.891 ( -5.028 0.000 0.000) 5.028 15.536 ( 6.048 0.000 0.000) 6.048 15.869 ( -4.556 0.000 0.000) 4.556 16.404 ( 15.928 0.000 0.000) 15.928 16.659 ( 27.346 0.000 0.000) 27.346 16.732 ( 14.136 0.000 0.000) 14.136 17.371 ( -13.048 0.000 0.000) 13.048 17.606 ( -12.427 0.000 0.000) 12.427 17.684 ( -6.713 0.000 0.000) 6.713 21.725 ( 20.801 0.000 0.000) 20.801 22.826 ( 17.743 0.000 0.000) 17.743 22.976 ( -18.350 0.000 0.000) 18.350 23.950 ( -14.595 0.000 0.000) 14.595 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 19.951 0.000 0.000) 19.951 2.310 ( 21.356 0.000 0.000) 21.356 2.593 ( -9.620 0.000 0.000) 9.620 2.674 ( -16.374 0.000 0.000) 16.374 2.725 ( 5.603 0.000 0.000) 5.603 2.757 ( 1.642 0.000 0.000) 1.642 2.797 ( 3.032 0.000 0.000) 3.032 2.902 ( -12.169 0.000 0.000) 12.169 3.080 ( 0.168 0.000 0.000) 0.168 3.254 ( -13.386 0.000 0.000) 13.386 3.506 ( 10.736 0.000 0.000) 10.736 3.690 ( -7.892 0.000 0.000) 7.892 3.750 ( 3.116 0.000 0.000) 3.116 3.781 ( -1.014 0.000 0.000) 1.014 4.116 ( 28.612 0.000 0.000) 28.612 4.338 ( 17.376 0.000 0.000) 17.376 4.567 ( -13.748 0.000 0.000) 13.748 4.611 ( -9.883 0.000 0.000) 9.883 5.046 ( 0.677 0.000 0.000) 0.677 5.121 ( -3.710 0.000 0.000) 3.710 5.224 ( 11.344 0.000 0.000) 11.344 5.373 ( -3.615 0.000 0.000) 3.615 5.652 ( 14.337 0.000 0.000) 14.337 5.891 ( -10.421 0.000 0.000) 10.421 6.287 ( 13.020 0.000 0.000) 13.020 6.458 ( 0.092 0.000 0.000) 0.092 6.495 ( -7.400 0.000 0.000) 7.400 6.514 ( -4.344 0.000 0.000) 4.344 7.154 ( 13.952 0.000 0.000) 13.952 7.396 ( -9.191 0.000 0.000) 9.191 7.580 ( 16.810 0.000 0.000) 16.810 7.701 ( 10.599 0.000 0.000) 10.599 7.918 ( -17.892 0.000 0.000) 17.892 7.951 ( -14.185 0.000 0.000) 14.185 8.385 ( 20.259 0.000 0.000) 20.259 8.656 ( 11.051 0.000 0.000) 11.051 8.748 ( -14.279 0.000 0.000) 14.279 8.884 ( -11.940 0.000 0.000) 11.940 9.376 ( 11.412 0.000 0.000) 11.412 9.674 ( -17.127 0.000 0.000) 17.127 10.417 ( 34.116 0.000 0.000) 34.116 11.016 ( -27.651 0.000 0.000) 27.651 11.252 ( 18.572 0.000 0.000) 18.572 11.577 ( -14.580 0.000 0.000) 14.580 12.020 ( 2.878 0.000 0.000) 2.878 12.023 ( 2.838 0.000 0.000) 2.838 12.765 ( 0.373 0.000 0.000) 0.373 12.804 ( -3.616 0.000 0.000) 3.616 15.655 ( 6.146 0.000 0.000) 6.146 15.769 ( -5.643 0.000 0.000) 5.643 16.734 ( 17.808 0.000 0.000) 17.808 17.027 ( 16.071 0.000 0.000) 16.071 17.052 ( -8.738 0.000 0.000) 8.738 17.170 ( 13.789 0.000 0.000) 13.789 17.335 ( -15.385 0.000 0.000) 15.385 17.491 ( -13.587 0.000 0.000) 13.587 22.151 ( 22.832 0.000 0.000) 22.832 22.586 ( -21.845 0.000 0.000) 21.845 23.210 ( 21.314 0.000 0.000) 21.314 23.614 ( -19.841 0.000 0.000) 19.841 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 32.722 0.000) 32.722 0.703 ( 0.000 32.696 0.000) 32.696 1.340 ( 0.000 63.226 0.000) 63.226 2.489 ( 0.000 -7.427 0.000) 7.427 2.535 ( 0.000 -13.366 0.000) 13.366 2.820 ( 0.000 6.519 0.000) 6.519 2.977 ( 0.000 3.718 0.000) 3.718 3.043 ( 0.000 1.016 0.000) 1.016 3.263 ( 0.000 -0.310 0.000) 0.310 3.287 ( 0.000 -3.516 0.000) 3.516 3.518 ( 0.000 5.923 0.000) 5.923 3.686 ( 0.000 21.820 0.000) 21.820 3.754 ( 0.000 -9.223 0.000) 9.223 3.865 ( 0.000 -5.460 0.000) 5.460 3.946 ( 0.000 9.622 0.000) 9.622 4.194 ( 0.000 7.007 0.000) 7.007 4.224 ( 0.000 8.356 0.000) 8.356 4.248 ( 0.000 -1.584 0.000) 1.584 4.330 ( 0.000 5.205 0.000) 5.205 4.769 ( 0.000 -5.630 0.000) 5.630 4.939 ( 0.000 -10.096 0.000) 10.096 5.074 ( 0.000 -6.401 0.000) 6.401 5.478 ( 0.000 -4.672 0.000) 4.672 5.754 ( 0.000 -4.418 0.000) 4.418 6.131 ( 0.000 3.947 0.000) 3.947 6.145 ( 0.000 11.862 0.000) 11.862 6.436 ( 0.000 4.259 0.000) 4.259 6.458 ( 0.000 10.308 0.000) 10.308 6.791 ( 0.000 0.010 0.000) 0.010 6.840 ( 0.000 -8.012 0.000) 8.012 7.082 ( 0.000 0.364 0.000) 0.364 7.213 ( 0.000 -2.830 0.000) 2.830 7.553 ( 0.000 3.690 0.000) 3.690 8.289 ( 0.000 -7.630 0.000) 7.630 8.321 ( 0.000 3.797 0.000) 3.797 8.324 ( 0.000 -27.713 0.000) 27.713 8.575 ( 0.000 1.855 0.000) 1.855 9.044 ( 0.000 -2.139 0.000) 2.139 9.323 ( 0.000 -21.273 0.000) 21.273 9.752 ( 0.000 -10.038 0.000) 10.038 10.131 ( 0.000 22.919 0.000) 22.919 10.781 ( 0.000 21.758 0.000) 21.758 11.559 ( 0.000 -6.169 0.000) 6.169 11.957 ( 0.000 5.576 0.000) 5.576 12.121 ( 0.000 6.906 0.000) 6.906 12.243 ( 0.000 -6.688 0.000) 6.688 12.678 ( 0.000 -4.598 0.000) 4.598 13.007 ( 0.000 -6.393 0.000) 6.393 15.543 ( 0.000 21.211 0.000) 21.211 15.563 ( 0.000 2.375 0.000) 2.375 15.836 ( 0.000 -1.716 0.000) 1.716 15.956 ( 0.000 3.269 0.000) 3.269 16.275 ( 0.000 -2.049 0.000) 2.049 17.685 ( 0.000 -9.973 0.000) 9.973 17.759 ( 0.000 1.408 0.000) 1.408 17.948 ( 0.000 -1.366 0.000) 1.366 21.235 ( 0.000 7.069 0.000) 7.069 22.260 ( 0.000 -7.961 0.000) 7.961 23.556 ( 0.000 1.712 0.000) 1.712 24.228 ( 0.000 -8.448 0.000) 8.448 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 23.400 21.562 0.000) 31.819 1.046 ( 23.490 24.259 0.000) 33.768 1.704 ( 36.112 46.420 0.000) 58.813 2.570 ( 6.878 -8.020 0.000) 10.565 2.591 ( 3.971 -11.752 0.000) 12.404 2.751 ( -4.949 5.050 0.000) 7.071 2.922 ( -1.983 2.158 0.000) 2.931 3.104 ( 2.384 -0.159 0.000) 2.389 3.259 ( 0.500 -0.381 0.000) 0.628 3.291 ( -1.023 -4.190 0.000) 4.313 3.484 ( -2.495 2.403 0.000) 3.464 3.660 ( -5.068 15.600 0.000) 16.403 3.788 ( -4.538 3.313 0.000) 5.619 3.861 ( -0.023 -15.744 0.000) 15.744 3.964 ( 1.516 8.316 0.000) 8.453 3.979 ( -4.694 16.804 0.000) 17.447 4.281 ( 4.939 3.061 0.000) 5.811 4.392 ( 12.461 1.687 0.000) 12.574 4.453 ( 10.785 4.206 0.000) 11.576 4.768 ( 0.665 -4.883 0.000) 4.928 4.973 ( 1.982 -9.863 0.000) 10.060 5.133 ( 5.464 -6.401 0.000) 8.416 5.458 ( -2.281 -3.891 0.000) 4.511 5.865 ( 10.505 -6.440 0.000) 12.322 6.003 ( -5.146 13.761 0.000) 14.691 6.158 ( 2.237 4.566 0.000) 5.085 6.486 ( 2.910 8.572 0.000) 9.052 6.520 ( 7.209 0.536 0.000) 7.228 6.825 ( -1.833 0.491 0.000) 1.898 6.849 ( 0.741 -7.070 0.000) 7.109 7.023 ( 15.026 13.323 0.000) 20.082 7.548 ( 0.545 3.099 0.000) 3.147 7.906 ( 29.991 -20.997 0.000) 36.610 8.246 ( -6.740 -24.251 0.000) 25.170 8.303 ( 4.768 -6.875 0.000) 8.367 8.343 ( 0.711 -2.003 0.000) 2.126 8.609 ( 3.738 4.408 0.000) 5.780 8.892 ( -12.308 -1.099 0.000) 12.357 9.283 ( -3.769 -20.955 0.000) 21.291 9.913 ( 10.585 -1.227 0.000) 10.656 10.118 ( 1.495 14.797 0.000) 14.873 10.715 ( -6.380 22.358 0.000) 23.250 11.577 ( 1.422 -7.919 0.000) 8.046 11.790 ( -6.730 18.717 0.000) 19.890 12.082 ( -3.786 8.288 0.000) 9.112 12.193 ( -4.640 -7.262 0.000) 8.618 12.727 ( 1.896 -7.164 0.000) 7.410 12.984 ( -2.278 -6.267 0.000) 6.668 15.571 ( 2.767 20.977 0.000) 21.159 15.714 ( 15.354 2.573 0.000) 15.568 15.988 ( 7.845 -2.206 0.000) 8.149 16.008 ( 5.472 3.119 0.000) 6.299 16.326 ( 5.276 -2.006 0.000) 5.644 17.685 ( -0.159 -9.903 0.000) 9.905 17.718 ( -4.204 1.378 0.000) 4.424 17.910 ( -3.971 -1.346 0.000) 4.193 21.193 ( 1.793 6.943 0.000) 7.170 22.301 ( 4.387 -8.567 0.000) 9.625 23.492 ( -6.627 1.880 0.000) 6.888 24.192 ( -3.834 -8.661 0.000) 9.471 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 25.254 11.257 0.000) 27.650 1.483 ( 22.276 15.701 0.000) 27.253 2.471 ( 29.944 24.199 0.000) 38.500 2.588 ( -3.053 -2.350 0.000) 3.853 2.675 ( 10.903 -2.653 0.000) 11.221 2.814 ( 9.582 -5.802 0.000) 11.201 2.851 ( -4.069 0.819 0.000) 4.151 3.129 ( 1.409 3.591 0.000) 3.858 3.169 ( -11.247 -5.097 0.000) 12.348 3.322 ( 6.018 -4.996 0.000) 7.821 3.457 ( -13.286 2.484 0.000) 13.517 3.490 ( 2.080 -5.551 0.000) 5.928 3.695 ( -12.697 -11.492 0.000) 17.125 3.767 ( 1.168 20.464 0.000) 20.497 4.011 ( 4.293 10.261 0.000) 11.123 4.041 ( 6.044 8.317 0.000) 10.281 4.443 ( 11.001 6.981 0.000) 13.030 4.646 ( 7.890 -0.158 0.000) 7.892 4.702 ( 14.249 3.468 0.000) 14.666 4.887 ( 15.460 -5.197 0.000) 16.310 5.028 ( 4.027 -6.069 0.000) 7.283 5.255 ( 6.844 -3.664 0.000) 7.763 5.383 ( -5.694 -0.717 0.000) 5.739 5.991 ( 2.771 7.878 0.000) 8.351 6.087 ( 8.673 -6.183 0.000) 10.651 6.199 ( 3.754 -0.110 0.000) 3.756 6.560 ( 3.937 4.433 0.000) 5.929 6.616 ( -1.537 -3.509 0.000) 3.831 6.779 ( 2.791 -2.331 0.000) 3.636 6.862 ( 0.826 -4.082 0.000) 4.165 7.439 ( 22.323 17.588 0.000) 28.420 7.554 ( -0.145 -0.397 0.000) 0.422 8.056 ( -12.703 -28.083 0.000) 30.822 8.096 ( 0.317 -3.986 0.000) 3.998 8.366 ( 1.964 -1.026 0.000) 2.216 8.590 ( -11.696 -2.748 0.000) 12.015 8.719 ( 29.714 -7.984 0.000) 30.768 8.793 ( 8.841 13.124 0.000) 15.824 9.209 ( -0.991 -20.283 0.000) 20.307 9.893 ( -8.777 24.148 0.000) 25.694 10.369 ( 19.658 -9.829 0.000) 21.978 10.544 ( -11.320 22.242 0.000) 24.957 11.567 ( -4.497 -11.833 0.000) 12.659 11.775 ( 2.916 13.624 0.000) 13.932 12.010 ( -2.094 11.234 0.000) 11.428 12.073 ( -7.272 -6.716 0.000) 9.899 12.739 ( -0.328 -6.097 0.000) 6.105 12.922 ( -4.023 -5.875 0.000) 7.121 15.643 ( 4.508 20.179 0.000) 20.677 16.024 ( 4.066 6.778 0.000) 7.905 16.154 ( 21.569 1.310 0.000) 21.609 16.168 ( 11.142 2.825 0.000) 11.495 16.476 ( 10.252 -1.899 0.000) 10.427 17.596 ( -8.524 1.423 0.000) 8.642 17.669 ( -1.887 -9.551 0.000) 9.735 17.792 ( -8.308 -1.329 0.000) 8.413 21.361 ( 14.545 1.377 0.000) 14.610 22.441 ( 10.510 -9.838 0.000) 14.396 23.303 ( -12.930 2.234 0.000) 13.122 24.072 ( -8.862 -9.207 0.000) 12.779 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 20.564 5.857 0.000) 21.382 1.907 ( 21.477 5.112 0.000) 22.077 2.591 ( 3.873 -5.788 0.000) 6.964 2.637 ( 3.189 -1.785 0.000) 3.655 2.695 ( -4.714 1.941 0.000) 5.098 2.878 ( -11.441 -5.476 0.000) 12.684 2.946 ( -3.204 9.964 0.000) 10.466 3.003 ( 2.201 -9.181 0.000) 9.442 3.184 ( -14.197 1.868 0.000) 14.320 3.400 ( -13.501 -17.191 0.000) 21.858 3.433 ( 6.375 -4.301 0.000) 7.690 3.507 ( -0.861 -2.000 0.000) 2.178 3.516 ( 30.535 12.524 0.000) 33.004 3.823 ( 4.490 17.149 0.000) 17.727 4.137 ( 3.421 11.853 0.000) 12.337 4.167 ( 11.985 11.421 0.000) 16.556 4.655 ( 9.375 7.815 0.000) 12.205 4.710 ( 0.689 -0.282 0.000) 0.744 4.979 ( 14.012 1.479 0.000) 14.090 5.104 ( 2.793 -2.035 0.000) 3.455 5.235 ( -9.326 4.392 0.000) 10.309 5.261 ( 18.696 -5.916 0.000) 19.609 5.377 ( 5.703 -0.229 0.000) 5.707 6.069 ( -6.599 2.373 0.000) 7.013 6.099 ( 8.586 4.122 0.000) 9.524 6.373 ( 9.184 -11.544 0.000) 14.751 6.510 ( -5.940 -1.419 0.000) 6.107 6.585 ( -2.139 -0.133 0.000) 2.144 6.908 ( 4.566 -2.256 0.000) 5.093 6.920 ( 9.604 -12.607 0.000) 15.849 7.503 ( -6.347 -8.719 0.000) 10.784 7.735 ( 8.283 11.765 0.000) 14.388 7.775 ( -15.887 -27.755 0.000) 31.981 8.264 ( 19.266 16.643 0.000) 25.460 8.336 ( -12.858 -0.247 0.000) 12.860 8.433 ( 4.555 -3.463 0.000) 5.722 8.914 ( -6.052 -12.788 0.000) 14.147 9.041 ( 14.312 18.971 0.000) 23.763 9.592 ( 35.020 -10.358 0.000) 36.520 9.673 ( -12.723 24.612 0.000) 27.706 10.288 ( -14.553 21.417 0.000) 25.893 10.764 ( 20.576 -10.568 0.000) 23.131 11.356 ( -17.015 -10.394 0.000) 19.939 11.755 ( -8.656 -2.079 0.000) 8.902 12.001 ( 2.465 3.310 0.000) 4.127 12.029 ( 3.207 8.725 0.000) 9.296 12.724 ( -0.895 -5.087 0.000) 5.165 12.836 ( -4.645 -5.238 0.000) 7.001 15.738 ( 5.207 18.840 0.000) 19.547 16.007 ( -2.925 12.080 0.000) 12.429 16.431 ( 15.740 2.507 0.000) 15.939 16.650 ( 25.953 -1.022 0.000) 25.973 16.714 ( 14.211 -1.763 0.000) 14.320 17.389 ( -12.939 1.621 0.000) 13.041 17.591 ( -12.467 -1.384 0.000) 12.544 17.597 ( -5.976 -8.585 0.000) 10.460 21.715 ( 21.363 0.172 0.000) 21.364 22.712 ( 17.407 -10.761 0.000) 20.465 22.999 ( -18.419 2.406 0.000) 18.576 23.843 ( -14.955 -9.885 0.000) 17.926 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 15.308 -2.485 0.000) 15.508 2.271 ( 15.032 -1.563 0.000) 15.113 2.582 ( -5.708 -1.093 0.000) 5.811 2.620 ( -12.168 -2.002 0.000) 12.331 2.719 ( 7.652 -7.972 0.000) 11.050 2.754 ( 6.237 2.015 0.000) 6.554 2.840 ( -5.343 3.270 0.000) 6.264 2.919 ( -11.181 0.973 0.000) 11.223 3.039 ( -0.362 -4.520 0.000) 4.535 3.124 ( -11.090 -11.715 0.000) 16.131 3.488 ( 0.878 -5.930 0.000) 5.994 3.491 ( -0.160 -2.693 0.000) 2.698 3.919 ( 4.830 14.420 0.000) 15.207 3.958 ( 4.906 12.511 0.000) 13.438 4.313 ( 19.870 14.123 0.000) 24.378 4.426 ( 12.555 6.836 0.000) 14.296 4.664 ( -5.927 4.549 0.000) 7.471 4.697 ( -8.365 11.715 0.000) 14.395 5.087 ( -2.168 4.160 0.000) 4.691 5.110 ( -1.850 0.005 0.000) 1.850 5.230 ( 10.747 0.436 0.000) 10.756 5.373 ( -3.229 0.022 0.000) 3.229 5.626 ( 15.489 -3.045 0.000) 15.785 5.889 ( -11.723 -0.265 0.000) 11.726 6.300 ( 10.728 1.101 0.000) 10.784 6.447 ( -2.829 -4.660 0.000) 5.451 6.450 ( 0.385 -0.838 0.000) 0.922 6.506 ( -4.434 -0.696 0.000) 4.488 7.045 ( 9.252 -9.559 0.000) 13.303 7.117 ( 8.390 -19.530 0.000) 21.256 7.337 ( -7.110 -12.706 0.000) 14.560 7.469 ( -14.917 -24.708 0.000) 28.861 7.888 ( 9.176 6.980 0.000) 11.529 8.094 ( -11.898 3.239 0.000) 12.331 8.554 ( 7.657 -7.169 0.000) 10.490 8.659 ( 8.737 8.195 0.000) 11.979 8.804 ( 6.051 6.853 0.000) 9.142 9.130 ( -12.147 27.797 0.000) 30.335 9.592 ( 10.823 18.586 0.000) 21.508 9.895 ( -14.829 17.470 0.000) 22.915 10.350 ( 30.747 -5.629 0.000) 31.258 10.919 ( -25.270 -9.132 0.000) 26.869 11.163 ( 17.870 -8.725 0.000) 19.886 11.501 ( -16.102 -7.707 0.000) 17.851 12.076 ( 3.028 5.393 0.000) 6.185 12.087 ( 1.816 5.889 0.000) 6.163 12.717 ( 0.547 -4.488 0.000) 4.521 12.755 ( -3.374 -4.598 0.000) 5.703 15.839 ( 5.185 17.130 0.000) 17.898 15.934 ( -4.510 15.019 0.000) 15.681 16.757 ( 17.606 2.157 0.000) 17.738 17.011 ( 16.128 -1.629 0.000) 16.210 17.054 ( -0.024 -0.614 0.000) 0.614 17.148 ( 3.552 -1.527 0.000) 3.867 17.320 ( -15.366 -1.454 0.000) 15.435 17.424 ( -12.302 -6.695 0.000) 14.005 22.155 ( 23.639 1.046 0.000) 23.662 22.603 ( -22.322 2.025 0.000) 22.414 23.093 ( 21.383 -10.897 0.000) 23.999 23.501 ( -20.118 -10.505 0.000) 22.696 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 27.264 0.000) 27.264 1.326 ( 0.000 28.412 0.000) 28.412 2.220 ( 0.000 -17.232 0.000) 17.232 2.250 ( 0.000 -15.733 0.000) 15.733 2.554 ( 0.000 53.357 0.000) 53.357 3.002 ( 0.000 10.653 0.000) 10.653 3.010 ( 0.000 1.970 0.000) 1.970 3.054 ( 0.000 -0.369 0.000) 0.369 3.279 ( 0.000 2.016 0.000) 2.016 3.326 ( 0.000 5.346 0.000) 5.346 3.505 ( 0.000 -3.872 0.000) 3.872 3.581 ( 0.000 -7.490 0.000) 7.490 3.710 ( 0.000 -9.120 0.000) 9.120 4.060 ( 0.000 3.050 0.000) 3.050 4.170 ( 0.000 -14.661 0.000) 14.661 4.200 ( 0.000 -3.050 0.000) 3.050 4.352 ( 0.000 36.915 0.000) 36.915 4.395 ( 0.000 7.411 0.000) 7.411 4.609 ( 0.000 19.586 0.000) 19.586 4.658 ( 0.000 -4.486 0.000) 4.486 4.710 ( 0.000 -7.085 0.000) 7.085 4.914 ( 0.000 -8.364 0.000) 8.364 5.319 ( 0.000 -11.215 0.000) 11.215 5.560 ( 0.000 -15.851 0.000) 15.851 6.244 ( 0.000 6.931 0.000) 6.931 6.452 ( 0.000 14.771 0.000) 14.771 6.532 ( 0.000 4.447 0.000) 4.447 6.628 ( 0.000 -11.385 0.000) 11.385 6.746 ( 0.000 17.319 0.000) 17.319 6.825 ( 0.000 5.414 0.000) 5.414 7.099 ( 0.000 1.523 0.000) 1.523 7.151 ( 0.000 -3.107 0.000) 3.107 7.524 ( 0.000 -10.187 0.000) 10.187 7.709 ( 0.000 -29.357 0.000) 29.357 8.203 ( 0.000 3.646 0.000) 3.646 8.436 ( 0.000 7.271 0.000) 7.271 8.674 ( 0.000 3.782 0.000) 3.782 8.862 ( 0.000 -22.216 0.000) 22.216 8.969 ( 0.000 -1.212 0.000) 1.212 9.473 ( 0.000 -16.170 0.000) 16.170 10.622 ( 0.000 23.227 0.000) 23.227 11.252 ( 0.000 22.741 0.000) 22.741 11.369 ( 0.000 -12.358 0.000) 12.358 12.009 ( 0.000 -10.842 0.000) 10.842 12.145 ( 0.000 7.055 0.000) 7.055 12.316 ( 0.000 11.535 0.000) 11.535 12.542 ( 0.000 -8.411 0.000) 8.411 12.824 ( 0.000 -11.027 0.000) 11.027 15.629 ( 0.000 3.801 0.000) 3.801 15.785 ( 0.000 -3.154 0.000) 3.154 16.004 ( 0.000 9.033 0.000) 9.033 16.158 ( 0.000 28.591 0.000) 28.591 16.214 ( 0.000 -3.797 0.000) 3.797 17.366 ( 0.000 -21.302 0.000) 21.302 17.800 ( 0.000 2.421 0.000) 2.421 17.908 ( 0.000 -2.380 0.000) 2.380 21.441 ( 0.000 12.618 0.000) 12.618 22.034 ( 0.000 -13.513 0.000) 13.513 23.623 ( 0.000 5.115 0.000) 5.115 24.007 ( 0.000 -12.021 0.000) 12.021 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 12.722 24.601 0.000) 27.696 1.538 ( 17.285 22.899 0.000) 28.690 2.314 ( 7.510 -14.986 0.000) 16.763 2.325 ( 6.976 -15.689 0.000) 17.170 2.712 ( 17.559 45.024 0.000) 48.327 2.903 ( -8.622 9.161 0.000) 12.580 2.972 ( -2.500 5.654 0.000) 6.182 3.065 ( 1.190 -2.780 0.000) 3.024 3.237 ( -5.920 -2.366 0.000) 6.375 3.324 ( -0.816 5.506 0.000) 5.566 3.443 ( -4.773 -2.684 0.000) 5.476 3.602 ( -1.502 -9.492 0.000) 9.610 3.636 ( -6.776 -5.663 0.000) 8.831 4.093 ( 3.400 5.183 0.000) 6.198 4.192 ( 2.365 -7.507 0.000) 7.871 4.246 ( 3.261 4.187 0.000) 5.307 4.372 ( 2.095 2.231 0.000) 3.060 4.403 ( 5.777 27.821 0.000) 28.415 4.648 ( -0.111 -6.319 0.000) 6.320 4.682 ( 7.124 16.085 0.000) 17.592 4.783 ( 7.081 -4.160 0.000) 8.212 4.981 ( 6.799 -7.700 0.000) 10.272 5.333 ( 1.530 -8.155 0.000) 8.298 5.651 ( 8.629 -15.463 0.000) 17.708 6.277 ( 2.595 6.835 0.000) 7.311 6.316 ( -8.478 15.553 0.000) 17.714 6.574 ( 2.377 2.589 0.000) 3.515 6.624 ( -0.844 -6.665 0.000) 6.718 6.758 ( 1.514 10.833 0.000) 10.939 6.856 ( -1.505 3.643 0.000) 3.942 7.169 ( 14.745 0.485 0.000) 14.753 7.564 ( 9.222 -4.851 0.000) 10.420 7.631 ( 30.253 -5.155 0.000) 30.690 7.645 ( -6.547 -28.837 0.000) 29.571 8.211 ( 2.571 1.887 0.000) 3.189 8.408 ( -2.331 4.988 0.000) 5.506 8.663 ( -4.330 -3.333 0.000) 5.464 8.832 ( -2.999 -21.782 0.000) 21.987 8.946 ( 3.325 10.903 0.000) 11.399 9.661 ( 16.385 -17.236 0.000) 23.781 10.582 ( -4.202 23.588 0.000) 23.959 11.194 ( -5.970 23.026 0.000) 23.787 11.358 ( -1.478 -13.463 0.000) 13.544 11.974 ( -4.451 -13.617 0.000) 14.326 12.100 ( -2.453 12.713 0.000) 12.947 12.295 ( -1.928 12.025 0.000) 12.178 12.559 ( 1.216 -9.279 0.000) 9.359 12.804 ( -1.929 -10.854 0.000) 11.024 15.779 ( 14.971 3.652 0.000) 15.410 15.932 ( 12.522 -3.216 0.000) 12.929 16.057 ( 5.346 10.433 0.000) 11.723 16.175 ( 1.899 26.416 0.000) 26.484 16.266 ( 5.411 -3.444 0.000) 6.414 17.369 ( 0.152 -21.105 0.000) 21.106 17.759 ( -4.187 2.498 0.000) 4.876 17.871 ( -3.965 -2.420 0.000) 4.646 21.411 ( -0.912 13.674 0.000) 13.705 22.056 ( 2.696 -14.671 0.000) 14.916 23.564 ( -6.124 5.450 0.000) 8.199 23.965 ( -4.460 -12.407 0.000) 13.185 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 16.908 17.419 0.000) 24.276 1.847 ( 14.205 18.168 0.000) 23.062 2.442 ( 5.787 -10.250 0.000) 11.770 2.452 ( 3.528 -12.310 0.000) 12.806 2.766 ( -2.416 2.422 0.000) 3.421 2.856 ( -7.575 1.686 0.000) 7.760 3.029 ( -13.809 -7.815 0.000) 15.867 3.092 ( -0.552 -7.584 0.000) 7.604 3.254 ( 32.351 32.136 0.000) 45.600 3.285 ( -2.631 7.611 0.000) 8.053 3.379 ( -2.548 -2.008 0.000) 3.244 3.469 ( -10.009 -1.684 0.000) 10.149 3.488 ( -6.900 -6.522 0.000) 9.495 4.199 ( 7.678 8.944 0.000) 11.788 4.250 ( 4.198 6.750 0.000) 7.949 4.283 ( 0.706 17.155 0.000) 17.169 4.531 ( 8.885 -11.137 0.000) 14.248 4.585 ( 12.227 11.160 0.000) 16.555 4.714 ( 10.282 -10.251 0.000) 14.519 4.843 ( 8.644 8.470 0.000) 12.102 4.960 ( 10.621 1.259 0.000) 10.695 5.162 ( 11.052 -5.176 0.000) 12.204 5.375 ( 2.383 0.899 0.000) 2.547 5.858 ( 12.176 -14.809 0.000) 19.172 6.205 ( -2.895 12.085 0.000) 12.427 6.290 ( -2.707 7.279 0.000) 7.766 6.560 ( -4.078 -3.321 0.000) 5.259 6.595 ( -1.814 -3.051 0.000) 3.549 6.804 ( 2.814 1.936 0.000) 3.416 6.817 ( -1.217 5.736 0.000) 5.864 7.326 ( -0.790 -14.497 0.000) 14.518 7.467 ( -11.548 -27.237 0.000) 29.584 7.868 ( 15.165 18.103 0.000) 23.616 8.097 ( 19.627 4.093 0.000) 20.050 8.367 ( -1.584 1.234 0.000) 2.008 8.508 ( -9.658 -4.654 0.000) 10.721 8.533 ( 29.208 -9.202 0.000) 30.623 8.777 ( 1.751 -20.707 0.000) 20.781 9.146 ( 15.542 20.583 0.000) 25.792 10.027 ( 20.561 -17.486 0.000) 26.991 10.456 ( -8.907 23.727 0.000) 25.344 11.026 ( -11.379 23.387 0.000) 26.008 11.288 ( -6.486 -15.569 0.000) 16.866 11.822 ( -10.698 -13.180 0.000) 16.975 12.103 ( 2.315 12.931 0.000) 13.136 12.256 ( -1.751 12.542 0.000) 12.663 12.577 ( 0.592 -9.350 0.000) 9.368 12.753 ( -3.259 -10.256 0.000) 10.762 16.137 ( 15.217 3.777 0.000) 15.679 16.179 ( 5.093 25.969 0.000) 26.464 16.184 ( 17.446 1.178 0.000) 17.486 16.257 ( 8.667 9.545 0.000) 12.892 16.420 ( 10.421 -3.439 0.000) 10.973 17.364 ( -0.894 -20.304 0.000) 20.323 17.638 ( -8.390 2.578 0.000) 8.777 17.753 ( -8.309 -2.433 0.000) 8.658 21.490 ( 10.039 11.381 0.000) 15.175 22.162 ( 8.898 -16.628 0.000) 18.859 23.386 ( -12.321 6.228 0.000) 13.806 23.829 ( -9.853 -13.395 0.000) 16.628 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 13.113 9.318 0.000) 16.086 2.096 ( 11.609 12.465 0.000) 17.033 2.455 ( -0.174 -7.868 0.000) 7.870 2.554 ( 4.882 -5.840 0.000) 7.612 2.699 ( -5.666 -0.706 0.000) 5.710 2.764 ( -8.610 -3.979 0.000) 9.485 2.840 ( 3.217 -6.564 0.000) 7.310 2.950 ( -13.081 -15.149 0.000) 20.015 3.193 ( -5.886 6.198 0.000) 8.547 3.222 ( -12.292 1.662 0.000) 12.404 3.368 ( -1.438 -6.842 0.000) 6.991 3.401 ( -0.960 -2.479 0.000) 2.658 3.937 ( 31.506 24.897 0.000) 40.156 4.286 ( 0.055 19.588 0.000) 19.588 4.356 ( 7.751 10.707 0.000) 13.218 4.379 ( 10.161 8.546 0.000) 13.278 4.617 ( 2.575 -8.393 0.000) 8.779 4.821 ( 10.794 7.874 0.000) 13.361 5.014 ( 9.951 1.164 0.000) 10.019 5.054 ( 20.816 -13.396 0.000) 24.754 5.149 ( 7.673 4.710 0.000) 9.003 5.350 ( 6.852 -2.527 0.000) 7.303 5.389 ( -2.320 11.101 0.000) 11.341 6.073 ( 3.173 -15.688 0.000) 16.005 6.180 ( -1.881 7.163 0.000) 7.406 6.212 ( 3.844 6.746 0.000) 7.764 6.461 ( -4.733 -3.534 0.000) 5.907 6.551 ( -3.212 -3.664 0.000) 4.873 6.809 ( 0.226 1.035 0.000) 1.060 6.845 ( 0.872 -2.632 0.000) 2.773 7.222 ( -8.613 -15.848 0.000) 18.038 7.227 ( -12.360 -23.619 0.000) 26.658 7.970 ( 2.121 12.296 0.000) 12.478 8.319 ( -8.549 -0.793 0.000) 8.586 8.360 ( -0.127 -3.098 0.000) 3.100 8.549 ( 5.071 -6.889 0.000) 8.554 8.721 ( 21.909 10.233 0.000) 24.181 9.351 ( 39.181 -13.203 0.000) 41.345 9.496 ( 19.534 24.328 0.000) 31.200 10.210 ( -13.127 25.433 0.000) 28.621 10.456 ( 20.108 -18.647 0.000) 27.423 10.760 ( -15.984 23.420 0.000) 28.355 11.083 ( -15.041 -15.999 0.000) 21.959 11.576 ( -14.720 -14.061 0.000) 20.356 12.166 ( 3.735 10.666 0.000) 11.301 12.239 ( 0.074 11.211 0.000) 11.211 12.583 ( 0.156 -8.403 0.000) 8.405 12.686 ( -3.560 -9.154 0.000) 9.822 16.249 ( 2.946 28.877 0.000) 29.027 16.283 ( 3.922 13.004 0.000) 13.582 16.500 ( 15.218 4.096 0.000) 15.759 16.609 ( 21.539 -3.277 0.000) 21.787 16.662 ( 14.437 -3.267 0.000) 14.802 17.322 ( -3.782 -18.386 0.000) 18.770 17.434 ( -12.747 2.708 0.000) 13.031 17.551 ( -12.557 -2.455 0.000) 12.794 21.791 ( 20.299 8.156 0.000) 21.876 22.412 ( 17.024 -17.369 0.000) 24.321 23.090 ( -18.248 6.918 0.000) 19.516 23.580 ( -15.995 -14.614 0.000) 21.665 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 5.571 -0.296 0.000) 5.579 2.260 ( 3.962 3.072 0.000) 5.014 2.490 ( 3.870 -11.674 0.000) 12.299 2.568 ( -0.072 -1.734 0.000) 1.736 2.652 ( -2.313 3.913 0.000) 4.546 2.682 ( -9.474 -11.388 0.000) 14.813 2.757 ( 5.599 -2.982 0.000) 6.344 2.875 ( -3.150 -5.205 0.000) 6.084 3.028 ( -4.279 4.427 0.000) 6.157 3.072 ( -5.920 5.688 0.000) 8.210 3.358 ( 0.549 -9.040 0.000) 9.056 3.381 ( -1.377 -6.338 0.000) 6.486 4.259 ( 4.184 14.312 0.000) 14.911 4.286 ( -0.152 17.164 0.000) 17.165 4.547 ( 6.011 3.548 0.000) 6.980 4.583 ( 4.227 6.439 0.000) 7.703 4.765 ( 19.866 10.446 0.000) 22.445 4.972 ( 3.954 12.756 0.000) 13.355 5.183 ( -2.116 6.912 0.000) 7.229 5.227 ( 10.419 0.192 0.000) 10.421 5.247 ( -11.067 11.334 0.000) 15.841 5.366 ( -1.394 -1.090 0.000) 1.770 5.494 ( 18.704 -10.727 0.000) 21.562 5.850 ( -16.670 -5.571 0.000) 17.576 6.326 ( 5.736 1.383 0.000) 5.900 6.331 ( 6.353 -4.492 0.000) 7.781 6.417 ( 0.683 -2.523 0.000) 2.614 6.474 ( -4.169 -3.421 0.000) 5.393 6.825 ( 1.000 -7.209 0.000) 7.278 6.834 ( -1.021 -8.153 0.000) 8.216 7.038 ( -5.888 -16.023 0.000) 17.070 7.049 ( -7.145 -13.916 0.000) 15.643 8.034 ( 4.829 8.107 0.000) 9.436 8.156 ( -7.661 3.525 0.000) 8.433 8.395 ( 3.218 -7.808 0.000) 8.445 8.478 ( -5.106 -12.297 0.000) 13.314 9.280 ( 28.323 24.668 0.000) 37.559 9.715 ( -10.341 27.701 0.000) 29.568 10.038 ( 8.503 23.019 0.000) 24.539 10.045 ( 29.561 -9.849 0.000) 31.159 10.435 ( -15.060 19.564 0.000) 24.689 10.655 ( -19.546 -16.195 0.000) 25.384 10.902 ( 15.870 -16.261 0.000) 22.722 11.259 ( -18.040 -15.595 0.000) 23.846 12.227 ( 2.219 8.796 0.000) 9.072 12.246 ( 0.109 9.082 0.000) 9.083 12.591 ( 0.882 -7.586 0.000) 7.637 12.624 ( -2.606 -7.928 0.000) 8.346 16.297 ( 1.968 25.541 0.000) 25.617 16.318 ( 0.051 20.442 0.000) 20.442 16.817 ( 17.055 3.475 0.000) 17.406 16.962 ( 14.023 -8.676 0.000) 16.490 16.962 ( 16.298 -2.989 0.000) 16.570 17.157 ( -15.005 2.284 0.000) 15.178 17.206 ( -8.421 -14.730 0.000) 16.967 17.277 ( -15.549 -2.631 0.000) 15.770 22.230 ( 24.268 7.096 0.000) 25.284 22.691 ( -22.844 7.116 0.000) 23.927 22.796 ( 21.924 -16.817 0.000) 27.631 23.219 ( -21.016 -15.786 0.000) 26.285 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.000 -21.669 0.000) 21.669 1.822 ( 0.000 21.669 0.000) 21.669 1.853 ( 0.000 -22.705 0.000) 22.705 1.853 ( 0.000 22.705 0.000) 22.705 3.020 ( 0.000 -2.794 0.000) 2.794 3.020 ( 0.000 2.794 0.000) 2.794 3.222 ( 0.000 -9.210 0.000) 9.210 3.222 ( 0.000 9.210 0.000) 9.210 3.441 ( 0.000 -6.943 0.000) 6.943 3.441 ( 0.000 6.943 0.000) 6.943 3.524 ( 0.000 -7.430 0.000) 7.430 3.524 ( 0.000 7.430 0.000) 7.430 3.573 ( 0.000 -39.336 0.000) 39.336 3.573 ( 0.000 39.336 0.000) 39.336 4.129 ( 0.000 -3.668 0.000) 3.668 4.129 ( 0.000 3.668 0.000) 3.668 4.527 ( 0.000 -6.086 0.000) 6.086 4.527 ( 0.000 6.086 0.000) 6.086 4.756 ( 0.000 -6.508 0.000) 6.508 4.756 ( 0.000 6.508 0.000) 6.508 5.011 ( 0.000 -18.893 0.000) 18.893 5.011 ( 0.000 18.893 0.000) 18.893 5.076 ( 0.000 -30.324 0.000) 30.324 5.076 ( 0.000 30.324 0.000) 30.324 6.412 ( 0.000 -9.375 0.000) 9.375 6.412 ( 0.000 9.375 0.000) 9.375 6.590 ( 0.000 -0.233 0.000) 0.233 6.590 ( 0.000 0.233 0.000) 0.233 7.060 ( 0.000 -9.208 0.000) 9.208 7.060 ( 0.000 9.208 0.000) 9.208 7.163 ( 0.000 -23.419 0.000) 23.419 7.163 ( 0.000 23.419 0.000) 23.419 7.201 ( 0.000 -13.695 0.000) 13.695 7.201 ( 0.000 13.695 0.000) 13.695 8.445 ( 0.000 -17.561 0.000) 17.561 8.445 ( 0.000 17.561 0.000) 17.561 8.604 ( 0.000 -8.109 0.000) 8.109 8.604 ( 0.000 8.109 0.000) 8.109 9.137 ( 0.000 -15.010 0.000) 15.010 9.137 ( 0.000 15.010 0.000) 15.010 11.053 ( 0.000 -18.349 0.000) 18.349 11.053 ( 0.000 18.349 0.000) 18.349 11.685 ( 0.000 -18.929 0.000) 18.929 11.685 ( 0.000 18.929 0.000) 18.929 12.345 ( 0.000 -10.363 0.000) 10.363 12.345 ( 0.000 10.363 0.000) 10.363 12.573 ( 0.000 -12.902 0.000) 12.902 12.573 ( 0.000 12.902 0.000) 12.902 15.711 ( 0.000 -3.979 0.000) 3.979 15.711 ( 0.000 3.979 0.000) 3.979 16.123 ( 0.000 -4.946 0.000) 4.946 16.123 ( 0.000 4.946 0.000) 4.946 16.819 ( 0.000 -31.156 0.000) 31.156 16.819 ( 0.000 31.156 0.000) 31.156 17.854 ( 0.000 -2.771 0.000) 2.771 17.854 ( 0.000 2.771 0.000) 2.771 21.733 ( 0.000 -15.115 0.000) 15.115 21.733 ( 0.000 15.115 0.000) 15.115 23.775 ( 0.000 -9.742 0.000) 9.742 23.775 ( 0.000 9.742 0.000) 9.742 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 8.284 -21.545 0.000) 23.083 1.939 ( 8.284 21.545 0.000) 23.083 1.968 ( 12.053 -18.845 0.000) 22.370 1.968 ( 12.053 18.845 0.000) 22.370 2.996 ( -1.271 -3.596 0.000) 3.814 2.996 ( -1.271 3.596 0.000) 3.814 3.103 ( -10.928 -9.571 0.000) 14.527 3.103 ( -10.928 9.571 0.000) 14.527 3.439 ( -2.606 -7.285 0.000) 7.738 3.439 ( -2.606 7.285 0.000) 7.738 3.499 ( -2.933 -6.712 0.000) 7.325 3.499 ( -2.933 6.712 0.000) 7.325 3.660 ( 10.444 -36.527 0.000) 37.991 3.660 ( 10.444 36.527 0.000) 37.991 4.191 ( 6.105 -4.419 0.000) 7.536 4.191 ( 6.105 4.419 0.000) 7.536 4.504 ( -1.027 -6.971 0.000) 7.047 4.504 ( -1.027 6.971 0.000) 7.047 4.835 ( 8.021 -6.171 0.000) 10.120 4.835 ( 8.021 6.171 0.000) 10.120 4.915 ( -3.880 -6.612 0.000) 7.666 4.915 ( -3.880 6.612 0.000) 7.666 5.265 ( 12.929 -13.939 0.000) 19.012 5.265 ( 12.929 13.939 0.000) 19.012 6.436 ( 2.086 -8.774 0.000) 9.018 6.436 ( 2.086 8.774 0.000) 9.018 6.552 ( -4.832 -5.913 0.000) 7.636 6.552 ( -4.832 5.913 0.000) 7.636 7.024 ( 0.248 -11.655 0.000) 11.657 7.024 ( 0.248 11.655 0.000) 11.657 7.118 ( -4.611 -21.952 0.000) 22.431 7.118 ( -4.611 21.952 0.000) 22.431 7.538 ( 29.006 -3.472 0.000) 29.213 7.538 ( 29.006 3.472 0.000) 29.213 8.425 ( -1.828 -16.846 0.000) 16.945 8.425 ( -1.828 16.846 0.000) 16.945 8.535 ( -5.793 -7.071 0.000) 9.141 8.535 ( -5.793 7.071 0.000) 9.141 9.277 ( 13.203 -18.921 0.000) 23.072 9.277 ( 13.203 18.921 0.000) 23.072 11.024 ( -3.155 -19.025 0.000) 19.285 11.024 ( -3.155 19.025 0.000) 19.285 11.633 ( -5.426 -19.315 0.000) 20.063 11.633 ( -5.426 19.315 0.000) 20.063 12.347 ( 0.285 -11.275 0.000) 11.278 12.347 ( 0.285 11.275 0.000) 11.278 12.556 ( -1.631 -12.874 0.000) 12.977 12.556 ( -1.631 12.874 0.000) 12.977 15.858 ( 14.117 -3.844 0.000) 14.631 15.858 ( 14.117 3.844 0.000) 14.631 16.176 ( 5.524 -4.856 0.000) 7.355 16.176 ( 5.524 4.856 0.000) 7.355 16.827 ( 0.760 -30.823 0.000) 30.832 16.827 ( 0.760 30.823 0.000) 30.832 17.815 ( -4.059 -2.848 0.000) 4.958 17.815 ( -4.059 2.848 0.000) 4.958 21.728 ( 0.458 -16.484 0.000) 16.491 21.728 ( 0.458 16.484 0.000) 16.491 23.724 ( -5.326 -10.177 0.000) 11.487 23.724 ( -5.326 10.177 0.000) 11.487 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 10.126 -17.827 0.000) 20.503 2.130 ( 10.126 17.827 0.000) 20.503 2.189 ( 10.260 -14.596 0.000) 17.841 2.189 ( 10.260 14.596 0.000) 17.841 2.871 ( -11.168 -6.960 0.000) 13.160 2.871 ( -11.168 6.960 0.000) 13.160 2.929 ( -7.700 -5.975 0.000) 9.746 2.929 ( -7.700 5.975 0.000) 9.746 3.377 ( -2.583 -4.771 0.000) 5.426 3.377 ( -2.583 4.771 0.000) 5.426 3.407 ( -6.433 -3.434 0.000) 7.292 3.407 ( -6.433 3.434 0.000) 7.292 3.968 ( 20.920 -29.576 0.000) 36.226 3.968 ( 20.920 29.576 0.000) 36.226 4.341 ( 8.534 -4.631 0.000) 9.709 4.341 ( 8.534 4.631 0.000) 9.709 4.523 ( 3.372 -7.861 0.000) 8.553 4.523 ( 3.372 7.861 0.000) 8.553 4.887 ( 1.272 -8.024 0.000) 8.124 4.887 ( 1.272 8.024 0.000) 8.124 5.047 ( 12.946 -5.722 0.000) 14.154 5.047 ( 12.946 5.722 0.000) 14.154 5.521 ( 12.671 -14.890 0.000) 19.552 5.521 ( 12.671 14.890 0.000) 19.552 6.436 ( -5.959 -9.109 0.000) 10.885 6.436 ( -5.959 9.109 0.000) 10.885 6.460 ( -0.669 -8.307 0.000) 8.334 6.460 ( -0.669 8.307 0.000) 8.334 7.001 ( -6.813 -16.830 0.000) 18.156 7.001 ( -6.813 16.830 0.000) 18.156 7.017 ( -2.193 -13.517 0.000) 13.694 7.017 ( -2.193 13.517 0.000) 13.694 8.161 ( 25.103 -4.466 0.000) 25.497 8.161 ( 25.103 4.466 0.000) 25.497 8.419 ( -5.839 -3.683 0.000) 6.904 8.419 ( -5.839 3.683 0.000) 6.904 8.437 ( 11.409 -6.518 0.000) 13.140 8.437 ( 11.409 6.518 0.000) 13.140 9.600 ( 19.491 -22.560 0.000) 29.814 9.600 ( 19.491 22.560 0.000) 29.814 10.919 ( -8.059 -20.432 0.000) 21.964 10.919 ( -8.059 20.432 0.000) 21.964 11.475 ( -10.930 -19.848 0.000) 22.658 11.475 ( -10.930 19.848 0.000) 22.658 12.361 ( 1.174 -11.654 0.000) 11.713 12.361 ( 1.174 11.654 0.000) 11.713 12.516 ( -2.337 -12.475 0.000) 12.692 12.516 ( -2.337 12.475 0.000) 12.692 16.186 ( 18.032 -1.115 0.000) 18.067 16.186 ( 18.032 1.115 0.000) 18.067 16.334 ( 10.761 -4.590 0.000) 11.699 16.334 ( 10.761 4.590 0.000) 11.699 16.843 ( 0.725 -29.656 0.000) 29.665 16.843 ( 0.725 29.656 0.000) 29.665 17.696 ( -8.320 -2.934 0.000) 8.822 17.696 ( -8.320 2.934 0.000) 8.822 21.799 ( 7.952 -17.572 0.000) 19.287 21.799 ( 7.952 17.572 0.000) 19.287 23.566 ( -11.188 -11.259 0.000) 15.873 23.566 ( -11.188 11.259 0.000) 15.873 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 3.013 -10.171 0.000) 10.608 2.266 ( 3.013 10.171 0.000) 10.608 2.367 ( 7.567 -12.472 0.000) 14.588 2.367 ( 7.567 12.472 0.000) 14.588 2.728 ( -10.448 -5.080 0.000) 11.617 2.728 ( -10.448 5.080 0.000) 11.617 2.745 ( -0.937 -2.168 0.000) 2.362 2.745 ( -0.937 2.168 0.000) 2.362 3.266 ( -7.464 -3.184 0.000) 8.115 3.266 ( -7.464 3.184 0.000) 8.115 3.321 ( -3.954 -5.277 0.000) 6.594 3.321 ( -3.954 5.277 0.000) 6.594 4.358 ( 14.205 -14.197 0.000) 20.083 4.358 ( 14.205 14.197 0.000) 20.083 4.480 ( 5.037 -0.694 0.000) 5.085 4.480 ( 5.037 0.694 0.000) 5.085 4.695 ( 17.886 -18.947 0.000) 26.055 4.695 ( 17.886 18.947 0.000) 26.055 4.976 ( 7.978 -5.614 0.000) 9.755 4.976 ( 7.978 5.614 0.000) 9.755 5.269 ( 8.167 -5.375 0.000) 9.777 5.269 ( 8.167 5.375 0.000) 9.777 5.702 ( 4.050 -18.448 0.000) 18.888 5.702 ( 4.050 18.448 0.000) 18.888 6.357 ( -1.693 -6.577 0.000) 6.792 6.357 ( -1.693 6.577 0.000) 6.792 6.396 ( -4.872 -11.239 0.000) 12.249 6.396 ( -4.872 11.239 0.000) 12.249 6.884 ( -4.877 -8.516 0.000) 9.813 6.884 ( -4.877 8.516 0.000) 9.813 6.934 ( -5.883 -10.797 0.000) 12.296 6.934 ( -5.883 10.797 0.000) 12.296 8.255 ( -1.631 -15.199 0.000) 15.286 8.255 ( -1.631 15.199 0.000) 15.286 8.318 ( -4.467 -0.936 0.000) 4.564 8.318 ( -4.467 0.936 0.000) 4.564 9.051 ( 37.635 -15.959 0.000) 40.879 9.051 ( 37.635 15.959 0.000) 40.879 10.002 ( 21.372 -24.030 0.000) 32.159 10.002 ( 21.372 24.030 0.000) 32.159 10.701 ( -14.636 -21.198 0.000) 25.760 10.701 ( -14.636 21.198 0.000) 25.760 11.216 ( -15.723 -20.408 0.000) 25.762 11.216 ( -15.723 20.408 0.000) 25.762 12.388 ( 1.533 -10.412 0.000) 10.524 12.388 ( 1.533 10.412 0.000) 10.524 12.473 ( -1.961 -11.197 0.000) 11.367 12.473 ( -1.961 11.197 0.000) 11.367 16.499 ( 13.729 -7.748 0.000) 15.764 16.499 ( 13.729 7.748 0.000) 15.764 16.584 ( 14.848 -4.233 0.000) 15.440 16.584 ( 14.848 4.233 0.000) 15.440 16.847 ( -0.513 -27.205 0.000) 27.209 16.847 ( -0.513 27.205 0.000) 27.209 17.494 ( -12.635 -2.970 0.000) 12.979 17.494 ( -12.635 2.970 0.000) 12.979 22.051 ( 17.934 -16.397 0.000) 24.300 22.051 ( 17.934 16.397 0.000) 24.300 23.291 ( -17.343 -12.496 0.000) 21.376 23.291 ( -17.343 12.496 0.000) 21.376 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 2.382 -6.233 0.000) 6.672 2.297 ( 2.382 6.233 0.000) 6.672 2.385 ( -5.513 -9.261 0.000) 10.777 2.385 ( -5.513 9.261 0.000) 10.777 2.673 ( 5.087 -4.355 0.000) 6.696 2.673 ( 5.087 4.355 0.000) 6.696 2.759 ( -1.157 -5.794 0.000) 5.908 2.759 ( -1.157 5.794 0.000) 5.908 3.168 ( -1.081 -8.636 0.000) 8.703 3.168 ( -1.081 8.636 0.000) 8.703 3.225 ( -5.298 -8.261 0.000) 9.814 3.225 ( -5.298 8.261 0.000) 9.814 4.499 ( 3.348 -9.160 0.000) 9.752 4.499 ( 3.348 9.160 0.000) 9.752 4.528 ( 0.273 -6.012 0.000) 6.019 4.528 ( 0.273 6.012 0.000) 6.019 5.157 ( 24.949 -20.535 0.000) 32.314 5.157 ( 24.949 20.535 0.000) 32.314 5.164 ( 10.026 -5.885 0.000) 11.626 5.164 ( 10.026 5.885 0.000) 11.626 5.317 ( -2.623 -4.792 0.000) 5.463 5.317 ( -2.623 4.792 0.000) 5.463 5.590 ( -15.835 -18.111 0.000) 24.057 5.590 ( -15.835 18.111 0.000) 24.057 6.354 ( 0.872 -6.064 0.000) 6.126 6.354 ( 0.872 6.064 0.000) 6.126 6.362 ( 0.918 -2.297 0.000) 2.474 6.362 ( 0.918 2.297 0.000) 2.474 6.813 ( -2.240 -5.857 0.000) 6.271 6.813 ( -2.240 5.857 0.000) 6.271 6.827 ( -3.989 -6.504 0.000) 7.630 6.827 ( -3.989 6.504 0.000) 7.630 8.232 ( -0.290 -11.117 0.000) 11.121 8.232 ( -0.290 11.117 0.000) 11.121 8.251 ( -2.309 -5.884 0.000) 6.321 8.251 ( -2.309 5.884 0.000) 6.321 9.730 ( 31.975 -19.001 0.000) 37.195 9.730 ( 31.975 19.001 0.000) 37.195 10.232 ( -14.436 -21.274 0.000) 25.709 10.232 ( -14.436 21.274 0.000) 25.709 10.519 ( 12.224 -19.608 0.000) 23.106 10.519 ( 12.224 19.608 0.000) 23.106 10.877 ( -19.202 -21.048 0.000) 28.491 10.877 ( -19.202 21.048 0.000) 28.491 12.416 ( 1.346 -9.155 0.000) 9.253 12.416 ( 1.346 9.155 0.000) 9.253 12.441 ( -1.388 -9.547 0.000) 9.647 12.441 ( -1.388 9.547 0.000) 9.647 16.705 ( 7.783 -16.200 0.000) 17.973 16.705 ( 7.783 16.200 0.000) 17.973 16.807 ( -2.522 -21.505 0.000) 21.653 16.807 ( -2.522 21.505 0.000) 21.653 16.899 ( 16.022 -3.582 0.000) 16.417 16.899 ( 16.022 3.582 0.000) 16.417 17.216 ( -15.899 -3.127 0.000) 16.204 17.216 ( -15.899 3.127 0.000) 16.204 22.458 ( 23.244 -14.749 0.000) 27.529 22.458 ( 23.244 14.749 0.000) 27.529 22.906 ( -22.263 -13.580 0.000) 26.078 22.906 ( -22.263 13.580 0.000) 26.078 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 0.000 32.812) 32.812 0.681 ( 0.000 0.000 33.572) 33.572 1.149 ( 0.000 0.000 57.339) 57.339 2.644 ( 0.000 0.000 6.554) 6.554 2.685 ( 0.000 0.000 -2.013) 2.013 2.914 ( 0.000 0.000 9.339) 9.339 2.950 ( 0.000 0.000 11.194) 11.194 3.014 ( 0.000 0.000 -1.355) 1.355 3.214 ( 0.000 0.000 -11.746) 11.746 3.317 ( 0.000 0.000 -0.680) 0.680 3.323 ( 0.000 0.000 3.395) 3.395 3.406 ( 0.000 0.000 -14.267) 14.267 3.745 ( 0.000 0.000 -3.011) 3.011 3.783 ( 0.000 0.000 -0.409) 0.409 3.846 ( 0.000 0.000 -7.395) 7.395 4.003 ( 0.000 0.000 7.246) 7.246 4.251 ( 0.000 0.000 16.245) 16.245 4.266 ( 0.000 0.000 -9.653) 9.653 4.307 ( 0.000 0.000 2.414) 2.414 4.796 ( 0.000 0.000 -0.832) 0.832 4.992 ( 0.000 0.000 -13.404) 13.404 5.175 ( 0.000 0.000 10.427) 10.427 5.582 ( 0.000 0.000 -1.992) 1.992 5.806 ( 0.000 0.000 4.236) 4.236 6.134 ( 0.000 0.000 11.020) 11.020 6.274 ( 0.000 0.000 8.977) 8.977 6.441 ( 0.000 0.000 15.348) 15.348 6.480 ( 0.000 0.000 -1.766) 1.766 6.568 ( 0.000 0.000 4.154) 4.154 6.729 ( 0.000 0.000 -7.002) 7.002 7.089 ( 0.000 0.000 1.786) 1.786 7.208 ( 0.000 0.000 -21.119) 21.119 7.720 ( 0.000 0.000 7.682) 7.682 8.232 ( 0.000 0.000 -1.012) 1.012 8.434 ( 0.000 0.000 15.892) 15.892 8.479 ( 0.000 0.000 8.965) 8.965 8.781 ( 0.000 0.000 -2.694) 2.694 8.954 ( 0.000 0.000 7.535) 7.535 9.532 ( 0.000 0.000 -6.725) 6.725 9.714 ( 0.000 0.000 -13.634) 13.634 9.851 ( 0.000 0.000 2.106) 2.106 10.479 ( 0.000 0.000 -2.587) 2.587 11.550 ( 0.000 0.000 -6.917) 6.917 11.992 ( 0.000 0.000 -5.861) 5.861 12.356 ( 0.000 0.000 4.363) 4.363 12.669 ( 0.000 0.000 5.783) 5.783 12.790 ( 0.000 0.000 5.929) 5.929 13.083 ( 0.000 0.000 0.709) 0.709 15.352 ( 0.000 0.000 3.603) 3.603 15.592 ( 0.000 0.000 6.719) 6.719 15.920 ( 0.000 0.000 6.752) 6.752 16.016 ( 0.000 0.000 -1.269) 1.269 16.047 ( 0.000 0.000 12.572) 12.572 17.695 ( 0.000 0.000 -5.101) 5.101 17.786 ( 0.000 0.000 -0.138) 0.138 17.910 ( 0.000 0.000 -5.386) 5.386 21.200 ( 0.000 0.000 8.023) 8.023 22.396 ( 0.000 0.000 5.480) 5.480 23.475 ( 0.000 0.000 -6.681) 6.681 24.286 ( 0.000 0.000 -3.580) 3.580 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 22.618 0.000 21.008) 30.869 0.940 ( 21.393 0.000 21.327) 30.207 1.612 ( 40.166 0.000 39.076) 56.038 2.660 ( -2.639 0.000 -1.964) 3.289 2.731 ( 8.529 0.000 5.525) 10.163 2.866 ( -2.745 0.000 7.771) 8.241 2.959 ( -1.646 0.000 8.222) 8.385 3.065 ( 2.479 0.000 -2.744) 3.698 3.263 ( -2.681 0.000 -0.019) 2.681 3.281 ( -0.436 0.000 -2.199) 2.242 3.299 ( 5.154 0.000 -7.608) 9.190 3.391 ( -1.878 0.000 -11.994) 12.140 3.717 ( -3.934 0.000 0.438) 3.958 3.773 ( -5.650 0.000 -5.498) 7.884 3.776 ( 1.574 0.000 -2.814) 3.225 4.059 ( 1.765 0.000 -4.201) 4.557 4.313 ( 4.268 0.000 2.783) 5.095 4.443 ( 15.796 0.000 11.193) 19.360 4.476 ( 11.651 0.000 -0.951) 11.690 4.787 ( 0.683 0.000 0.735) 1.004 4.974 ( 0.305 0.000 -13.749) 13.753 5.240 ( 4.717 0.000 7.899) 9.200 5.535 ( -4.840 0.000 0.375) 4.855 5.794 ( -2.592 0.000 -2.021) 3.287 6.038 ( 1.245 0.000 10.764) 10.836 6.243 ( 1.087 0.000 6.503) 6.593 6.484 ( 4.258 0.000 14.735) 15.338 6.660 ( 3.800 0.000 -2.538) 4.570 6.723 ( 19.200 0.000 3.666) 19.547 6.762 ( 5.906 0.000 -3.161) 6.699 6.914 ( -4.549 0.000 -2.957) 5.426 7.410 ( 5.646 0.000 -10.924) 12.297 8.105 ( 24.140 0.000 -15.385) 28.626 8.352 ( 11.615 0.000 -0.587) 11.629 8.424 ( -5.400 0.000 9.439) 10.875 8.459 ( 3.004 0.000 14.015) 14.334 8.720 ( -5.281 0.000 -1.707) 5.550 8.865 ( -8.924 0.000 6.117) 10.820 9.507 ( -2.490 0.000 -5.377) 5.926 9.687 ( -5.220 0.000 -2.483) 5.781 9.951 ( 12.427 0.000 -10.577) 16.319 10.421 ( -5.747 0.000 -1.441) 5.925 11.574 ( 2.112 0.000 -7.811) 8.092 11.932 ( -6.259 0.000 -5.653) 8.434 12.112 ( -22.037 0.000 32.303) 39.104 12.350 ( -3.950 0.000 9.221) 10.031 12.837 ( 0.329 0.000 2.402) 2.424 13.062 ( -2.268 0.000 0.871) 2.430 15.377 ( 2.614 0.000 3.135) 4.081 15.656 ( 6.187 0.000 -0.306) 6.194 15.999 ( -1.508 0.000 -1.196) 1.925 16.123 ( 11.712 0.000 -9.226) 14.909 16.168 ( 12.307 0.000 16.579) 20.648 17.599 ( -7.955 0.000 -8.654) 11.755 17.830 ( 2.434 0.000 2.315) 3.359 17.860 ( -5.355 0.000 -6.763) 8.626 21.318 ( 9.460 0.000 12.512) 15.686 22.445 ( 5.171 0.000 5.668) 7.672 23.411 ( -6.599 0.000 -6.494) 9.258 24.253 ( -3.508 0.000 -3.476) 4.939 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 23.172 0.000 6.575) 24.087 1.397 ( 26.479 0.000 9.877) 28.261 2.400 ( 32.575 0.000 21.668) 39.123 2.623 ( 1.476 0.000 1.146) 1.868 2.842 ( 2.912 0.000 2.780) 4.025 2.849 ( -6.806 0.000 5.797) 8.941 2.939 ( 9.598 0.000 3.335) 10.161 3.050 ( -2.287 0.000 -3.550) 4.223 3.194 ( -5.362 0.000 -0.395) 5.376 3.288 ( 1.482 0.000 -4.128) 4.387 3.342 ( -0.654 0.000 -6.847) 6.879 3.421 ( -2.843 0.000 -5.531) 6.219 3.620 ( 3.129 0.000 -8.060) 8.647 3.776 ( -0.855 0.000 -2.327) 2.479 3.781 ( 3.377 0.000 -0.001) 3.377 4.038 ( -4.545 0.000 -3.963) 6.030 4.443 ( 8.740 0.000 7.841) 11.742 4.681 ( 11.331 0.000 1.227) 11.397 4.683 ( 6.183 0.000 5.649) 8.375 4.944 ( 17.037 0.000 3.918) 17.481 5.034 ( 5.432 0.000 -11.791) 12.982 5.307 ( 0.954 0.000 4.330) 4.434 5.419 ( -5.947 0.000 2.758) 6.555 5.698 ( -6.384 0.000 -17.064) 18.219 6.196 ( 11.257 0.000 -3.340) 11.742 6.328 ( 6.705 0.000 13.375) 14.962 6.592 ( 6.458 0.000 13.616) 15.070 6.600 ( -5.369 0.000 -7.194) 8.977 6.855 ( -2.112 0.000 -5.799) 6.172 7.049 ( 19.336 0.000 1.773) 19.417 7.086 ( 16.773 0.000 7.195) 18.251 7.509 ( 5.137 0.000 -2.646) 5.778 8.283 ( -7.016 0.000 11.881) 13.798 8.452 ( -10.763 0.000 -7.674) 13.219 8.474 ( 14.315 0.000 -10.581) 17.801 8.495 ( 4.401 0.000 13.377) 14.082 8.647 ( -11.915 0.000 7.459) 14.057 8.863 ( 23.830 0.000 3.898) 24.147 9.454 ( -1.227 0.000 -2.713) 2.978 9.513 ( -12.053 0.000 -2.636) 12.337 10.258 ( -6.005 0.000 -4.386) 7.436 10.288 ( 15.544 0.000 -11.554) 19.368 11.609 ( 0.753 0.000 -10.964) 10.990 11.748 ( -12.874 0.000 -5.183) 13.878 11.942 ( 0.979 0.000 22.678) 22.699 12.279 ( -3.400 0.000 11.319) 11.819 12.832 ( -0.744 0.000 2.962) 3.054 12.999 ( -4.172 0.000 1.248) 4.355 15.449 ( 4.681 0.000 2.212) 5.177 15.810 ( 8.640 0.000 -10.647) 13.712 15.968 ( -0.611 0.000 -2.478) 2.553 16.326 ( 10.543 0.000 -13.093) 16.810 16.502 ( 21.347 0.000 20.313) 29.467 17.407 ( -11.970 0.000 -14.176) 18.554 17.705 ( -10.598 0.000 -10.367) 14.826 17.852 ( -0.456 0.000 5.184) 5.204 21.539 ( 13.571 0.000 14.050) 19.534 22.602 ( 11.202 0.000 5.813) 12.620 23.225 ( -12.478 0.000 -5.728) 13.730 24.143 ( -8.121 0.000 -2.990) 8.654 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 21.313 0.000 -2.381) 21.446 1.893 ( 24.507 0.000 4.387) 24.897 2.614 ( 3.495 0.000 -0.850) 3.596 2.697 ( 2.272 0.000 3.379) 4.071 2.732 ( -3.551 0.000 3.643) 5.088 2.828 ( -8.662 0.000 -2.244) 8.948 2.944 ( -9.870 0.000 1.125) 9.934 3.140 ( -9.382 0.000 -0.516) 9.397 3.198 ( -5.616 0.000 -2.203) 6.033 3.304 ( 5.590 0.000 -1.894) 5.903 3.353 ( 7.925 0.000 -1.905) 8.151 3.427 ( 20.340 0.000 2.886) 20.544 3.777 ( -0.944 0.000 -1.839) 2.067 3.805 ( 6.850 0.000 0.921) 6.911 3.888 ( 15.871 0.000 -10.112) 18.818 3.905 ( -7.685 0.000 -0.479) 7.700 4.617 ( 7.752 0.000 5.246) 9.360 4.728 ( -2.157 0.000 2.759) 3.502 4.924 ( 12.643 0.000 -0.702) 12.663 5.148 ( 5.162 0.000 -6.384) 8.210 5.190 ( -9.973 0.000 0.640) 9.993 5.281 ( 14.865 0.000 -0.829) 14.888 5.390 ( 0.430 0.000 4.710) 4.730 5.601 ( -2.430 0.000 -25.151) 25.268 6.328 ( 1.019 0.000 -11.548) 11.593 6.477 ( 8.481 0.000 21.141) 22.779 6.511 ( -4.565 0.000 -7.808) 9.044 6.710 ( 5.044 0.000 14.590) 15.437 6.895 ( 8.507 0.000 -2.511) 8.870 7.359 ( 12.206 0.000 7.651) 14.405 7.436 ( 19.729 0.000 0.329) 19.732 7.566 ( -1.425 0.000 2.577) 2.944 8.179 ( -15.914 0.000 -7.170) 17.455 8.205 ( 1.589 0.000 11.441) 11.551 8.366 ( -13.761 0.000 7.401) 15.625 8.599 ( 6.806 0.000 12.772) 14.472 8.782 ( 12.825 0.000 0.129) 12.826 9.118 ( -3.076 0.000 4.446) 5.406 9.260 ( -11.687 0.000 -7.354) 13.809 9.721 ( 31.357 0.000 -2.738) 31.476 10.011 ( -15.355 0.000 0.242) 15.356 10.683 ( 20.592 0.000 -16.148) 26.168 11.432 ( -20.011 0.000 -4.684) 20.552 11.565 ( -6.140 0.000 -15.642) 16.804 12.038 ( 7.104 0.000 15.156) 16.739 12.237 ( -0.747 0.000 14.888) 14.907 12.812 ( -1.189 0.000 3.461) 3.660 12.909 ( -4.817 0.000 1.713) 5.113 15.549 ( 5.539 0.000 1.256) 5.680 15.849 ( -3.386 0.000 -2.549) 4.238 16.117 ( 14.747 0.000 -17.874) 23.172 16.554 ( 13.326 0.000 -16.029) 20.845 16.938 ( 21.923 0.000 17.500) 28.051 17.142 ( -14.715 0.000 -18.483) 23.625 17.459 ( -14.617 0.000 -14.656) 20.699 17.801 ( -5.170 0.000 7.579) 9.174 21.840 ( 17.515 0.000 10.058) 20.198 22.876 ( 17.058 0.000 5.047) 17.789 22.939 ( -16.971 0.000 -3.882) 17.410 23.933 ( -13.724 0.000 -1.751) 13.836 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 19.325 0.000 -6.248) 20.310 2.329 ( 20.622 0.000 1.889) 20.708 2.537 ( -14.070 0.000 -5.328) 15.045 2.681 ( -15.037 0.000 0.250) 15.039 2.722 ( 2.921 0.000 -4.600) 5.449 2.745 ( 3.494 0.000 2.370) 4.222 2.765 ( 0.554 0.000 -2.653) 2.711 2.903 ( -11.485 0.000 0.001) 11.485 3.134 ( 1.614 0.000 3.959) 4.275 3.260 ( -8.772 0.000 2.281) 9.064 3.497 ( 10.607 0.000 -1.129) 10.667 3.679 ( -7.805 0.000 -1.331) 7.918 3.709 ( 5.317 0.000 -2.992) 6.101 3.788 ( -4.326 0.000 -1.717) 4.654 4.187 ( 26.659 0.000 5.976) 27.321 4.241 ( 18.793 0.000 -10.925) 21.738 4.568 ( -13.927 0.000 -6.032) 15.178 4.603 ( -13.055 0.000 3.144) 13.428 5.055 ( 1.526 0.000 0.724) 1.689 5.099 ( 0.730 0.000 0.533) 0.904 5.251 ( 6.825 0.000 -0.860) 6.879 5.366 ( -3.623 0.000 0.910) 3.736 5.492 ( 7.673 0.000 -9.525) 12.231 5.582 ( -1.668 0.000 -17.907) 17.984 6.328 ( 1.307 0.000 -11.040) 11.117 6.402 ( -5.801 0.000 -10.848) 12.302 6.644 ( 8.138 0.000 24.002) 25.344 6.749 ( -1.829 0.000 19.884) 19.968 7.144 ( 15.080 0.000 0.612) 15.092 7.420 ( -12.366 0.000 2.354) 12.588 7.593 ( 12.896 0.000 1.957) 13.044 7.786 ( 16.429 0.000 5.033) 17.183 7.869 ( -15.663 0.000 -4.313) 16.246 8.081 ( -14.528 0.000 8.100) 16.634 8.402 ( 15.994 0.000 4.554) 16.629 8.740 ( -16.025 0.000 2.203) 16.175 8.761 ( 9.830 0.000 10.468) 14.360 8.962 ( -10.364 0.000 7.521) 12.805 9.320 ( 16.618 0.000 -4.858) 17.314 9.679 ( -18.750 0.000 -0.529) 18.758 10.382 ( 33.777 0.000 -3.605) 33.969 10.975 ( -27.423 0.000 -4.206) 27.744 11.060 ( 18.206 0.000 -16.263) 24.412 11.371 ( -13.575 0.000 -16.631) 21.468 12.167 ( 5.435 0.000 13.343) 14.408 12.229 ( -1.093 0.000 14.449) 14.490 12.797 ( 0.066 0.000 3.316) 3.316 12.828 ( -3.186 0.000 2.443) 4.015 15.658 ( 5.642 0.000 0.241) 5.648 15.763 ( -5.141 0.000 -0.781) 5.200 16.443 ( 18.366 0.000 -22.262) 28.860 16.801 ( -18.239 0.000 -21.896) 28.497 16.838 ( 15.926 0.000 -18.012) 24.043 17.155 ( -16.543 0.000 -17.613) 24.164 17.353 ( 18.332 0.000 13.579) 22.814 17.642 ( -11.540 0.000 10.204) 15.404 22.202 ( 19.693 0.000 4.476) 20.195 22.584 ( -19.506 0.000 -0.479) 19.512 23.240 ( 20.047 0.000 3.015) 20.272 23.619 ( -18.546 0.000 0.407) 18.551 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 22.742 19.342) 29.855 0.961 ( 0.000 22.393 22.105) 31.466 1.717 ( 0.000 45.360 35.504) 57.603 2.566 ( 0.000 -7.858 5.781) 9.756 2.603 ( 0.000 -10.036 6.143) 11.767 2.800 ( 0.000 0.576 1.940) 2.023 3.009 ( 0.000 0.134 -3.180) 3.182 3.088 ( 0.000 3.401 8.616) 9.263 3.163 ( 0.000 -2.782 -9.029) 9.448 3.281 ( 0.000 0.808 2.519) 2.645 3.397 ( 0.000 5.009 -13.302) 14.214 3.670 ( 0.000 22.381 -0.936) 22.400 3.740 ( 0.000 -0.964 -3.634) 3.759 3.804 ( 0.000 -3.807 -5.719) 6.870 3.971 ( 0.000 -2.297 4.624) 5.163 3.979 ( 0.000 9.268 -15.456) 18.022 4.216 ( 0.000 -0.387 -3.641) 3.661 4.335 ( 0.000 5.892 12.057) 13.420 4.367 ( 0.000 7.538 6.742) 10.113 4.747 ( 0.000 -3.911 -0.206) 3.917 4.920 ( 0.000 -4.375 -10.899) 11.745 5.088 ( 0.000 -8.065 12.110) 14.550 5.500 ( 0.000 -5.755 -0.695) 5.796 5.997 ( 0.000 2.013 14.139) 14.282 6.182 ( 0.000 5.428 4.767) 7.224 6.336 ( 0.000 5.589 12.162) 13.384 6.339 ( 0.000 -0.368 -6.586) 6.596 6.536 ( 0.000 6.848 8.714) 11.083 6.723 ( 0.000 3.462 -3.481) 4.909 6.760 ( 0.000 4.381 -1.093) 4.515 7.094 ( 0.000 0.755 2.231) 2.355 7.146 ( 0.000 -5.395 -18.246) 19.027 7.648 ( 0.000 -2.512 10.665) 10.957 8.260 ( 0.000 -2.249 3.520) 4.177 8.292 ( 0.000 -28.914 -4.789) 29.308 8.470 ( 0.000 3.518 15.300) 15.699 8.516 ( 0.000 3.796 0.349) 3.812 9.175 ( 0.000 3.631 11.070) 11.650 9.270 ( 0.000 -19.736 -4.929) 20.342 9.621 ( 0.000 -9.505 -12.533) 15.730 10.090 ( 0.000 20.194 -2.980) 20.413 10.745 ( 0.000 20.748 -4.055) 21.141 11.490 ( 0.000 -5.848 -6.722) 8.910 11.984 ( 0.000 -1.419 -7.446) 7.580 12.312 ( 0.000 -1.174 9.142) 9.217 12.413 ( 0.000 -8.810 20.248) 22.081 12.745 ( 0.000 -4.282 6.276) 7.598 13.019 ( 0.000 -6.019 1.067) 6.113 15.579 ( 0.000 21.155 3.396) 21.426 15.627 ( 0.000 2.586 6.652) 7.137 15.901 ( 0.000 -1.798 6.694) 6.931 16.077 ( 0.000 2.876 12.223) 12.557 16.225 ( 0.000 8.066 -3.598) 8.832 17.681 ( 0.000 -9.960 -0.150) 9.961 17.710 ( 0.000 1.399 -5.108) 5.296 17.897 ( 0.000 -1.318 -5.326) 5.487 21.230 ( 0.000 5.294 3.643) 6.426 22.304 ( 0.000 -8.694 4.748) 9.906 23.493 ( 0.000 1.895 -6.502) 6.773 24.192 ( 0.000 -8.684 -3.838) 9.494 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 17.341 18.382 14.671) 29.221 1.202 ( 18.057 19.676 14.843) 30.553 2.006 ( 28.936 35.320 28.582) 53.867 2.611 ( 1.973 -6.845 2.381) 7.511 2.661 ( 5.726 -9.266 6.513) 12.691 2.754 ( -3.632 -0.595 1.187) 3.868 2.988 ( -2.807 -0.413 1.856) 3.390 3.092 ( 1.749 2.079 2.133) 3.454 3.197 ( 0.695 -3.397 -6.437) 7.311 3.254 ( -1.571 1.059 -0.497) 1.959 3.409 ( 1.389 4.534 -8.298) 9.557 3.635 ( -6.966 -3.495 -4.049) 8.783 3.688 ( -0.939 20.308 -4.400) 20.800 3.788 ( -4.058 1.742 -4.931) 6.620 3.929 ( 0.668 9.197 -6.048) 11.027 3.983 ( -0.554 -4.650 0.296) 4.692 4.279 ( 6.108 -0.809 -0.784) 6.211 4.473 ( 9.792 6.337 3.380) 12.143 4.493 ( 13.275 1.813 10.543) 17.049 4.774 ( 3.514 -2.583 2.019) 4.805 4.929 ( 1.754 -3.422 -10.768) 11.434 5.151 ( 5.472 -7.425 9.386) 13.159 5.479 ( -2.350 -4.374 0.115) 4.967 5.985 ( -12.244 11.044 -2.273) 16.645 6.063 ( 5.710 -0.764 13.987) 15.127 6.254 ( -0.254 1.206 5.769) 5.899 6.525 ( 8.047 3.522 1.927) 8.993 6.570 ( 4.298 2.174 8.474) 9.747 6.774 ( 1.296 2.780 -2.143) 3.742 6.854 ( -2.733 -3.864 -0.431) 4.752 6.984 ( 17.347 11.001 -4.254) 20.977 7.432 ( 7.595 2.056 -11.064) 13.577 7.933 ( 27.124 -12.031 0.718) 29.681 8.219 ( -6.627 -28.974 -3.780) 29.962 8.270 ( 0.248 -4.198 6.548) 7.782 8.456 ( -0.918 1.266 9.013) 9.148 8.571 ( 6.251 7.387 3.120) 10.168 9.033 ( -11.231 0.686 11.160) 15.847 9.252 ( -2.273 -19.196 -3.179) 19.590 9.779 ( 12.237 -2.749 -11.723) 17.167 10.046 ( -3.110 16.435 -5.576) 17.631 10.693 ( -5.284 21.055 -3.068) 21.924 11.492 ( -0.067 -7.314 -7.397) 10.403 11.940 ( -4.013 0.315 -7.096) 8.159 12.175 ( -12.203 5.628 21.920) 25.711 12.320 ( -2.978 -1.838 10.648) 11.208 12.771 ( 1.045 -5.507 4.520) 7.201 12.999 ( -2.095 -5.935 1.243) 6.415 15.596 ( 2.289 19.550 2.638) 19.859 15.696 ( 6.369 4.313 0.251) 7.696 15.987 ( 5.640 -1.724 1.111) 6.001 16.186 ( 10.908 2.588 14.546) 18.365 16.249 ( 3.315 6.985 -4.103) 8.753 17.583 ( -7.292 -2.973 -7.786) 11.074 17.759 ( 2.003 -5.563 1.523) 6.105 17.845 ( -5.357 -1.357 -6.724) 8.703 21.300 ( 7.290 1.691 9.585) 12.160 22.349 ( 4.720 -9.149 5.055) 11.469 23.430 ( -6.444 2.054 -6.323) 9.259 24.157 ( -3.722 -8.896 -3.725) 10.338 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 19.979 12.187 6.925) 24.406 1.559 ( 19.410 13.672 7.567) 24.919 2.555 ( 3.031 2.655 2.325) 4.652 2.644 ( 2.793 1.084 7.334) 7.922 2.746 ( 25.689 7.160 8.868) 28.104 2.853 ( 9.633 -5.015 3.046) 11.279 2.886 ( -7.050 -0.515 2.084) 7.370 3.073 ( -4.792 2.826 -4.490) 7.149 3.134 ( -7.549 -3.109 -2.599) 8.568 3.271 ( 5.319 -3.044 -2.753) 6.719 3.443 ( -7.003 2.894 -1.717) 7.770 3.500 ( 2.302 -8.896 -0.917) 9.234 3.624 ( -6.505 -0.642 -4.911) 8.176 3.741 ( -0.107 20.929 -1.773) 21.005 3.955 ( 1.159 4.197 -5.313) 6.869 4.010 ( 4.887 4.257 -4.458) 7.867 4.441 ( 10.142 1.330 -0.256) 10.232 4.692 ( 12.747 3.733 1.627) 13.381 4.744 ( 7.966 1.650 8.546) 11.799 4.919 ( 13.003 -3.552 2.990) 13.807 5.018 ( 7.971 -1.115 -5.012) 9.481 5.255 ( 4.337 -4.036 4.354) 7.352 5.412 ( -4.099 -0.502 2.453) 4.804 5.788 ( -8.525 8.088 -16.045) 19.888 6.192 ( 6.445 -0.087 2.758) 7.010 6.312 ( 5.662 -3.498 11.746) 13.501 6.573 ( -2.760 -1.375 -0.015) 3.084 6.644 ( 1.593 1.185 2.565) 3.244 6.840 ( 3.484 0.864 1.584) 3.924 6.861 ( 8.295 -3.075 5.015) 10.169 7.411 ( 20.984 11.823 -3.470) 24.334 7.531 ( 5.015 5.112 0.280) 7.166 8.010 ( -11.787 -26.709 -4.667) 29.565 8.230 ( -2.308 -5.766 13.747) 15.085 8.449 ( 5.377 -1.566 1.878) 5.907 8.514 ( 17.581 -2.955 -0.867) 17.848 8.761 ( 5.353 9.396 1.766) 10.957 8.860 ( 4.620 -3.474 11.064) 12.483 9.210 ( 0.747 -17.652 -0.337) 17.671 9.796 ( -10.237 22.581 -8.038) 26.063 10.202 ( 18.356 -7.801 -14.569) 24.700 10.544 ( -10.153 21.320 -1.103) 23.640 11.460 ( -4.398 -10.768 -8.850) 14.615 11.823 ( -9.163 2.072 -10.720) 14.254 12.041 ( -0.465 8.631 19.786) 21.591 12.271 ( -1.965 0.477 12.409) 12.573 12.777 ( -0.276 -5.008 4.048) 6.445 12.941 ( -3.843 -5.497 1.630) 6.903 15.662 ( 4.229 19.746 1.859) 20.279 15.858 ( 10.181 3.969 -10.931) 15.456 16.049 ( 0.997 5.538 -1.245) 5.763 16.344 ( 8.231 2.471 -10.464) 13.541 16.510 ( 20.248 0.720 19.308) 27.987 17.405 ( -11.303 -0.746 -13.842) 17.886 17.691 ( -10.553 -1.303 -10.302) 14.805 17.774 ( -0.693 -7.337 4.924) 8.863 21.507 ( 13.881 -0.983 12.689) 18.832 22.495 ( 10.644 -10.115 5.494) 15.677 23.248 ( -12.320 2.390 -5.570) 13.730 24.042 ( -8.448 -9.421 -3.210) 13.055 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 18.081 7.209 -0.295) 19.468 1.939 ( 19.000 4.918 2.901) 19.840 2.579 ( 3.804 -5.322 -1.431) 6.697 2.658 ( 1.467 -3.602 1.631) 4.217 2.719 ( -8.221 -0.204 0.938) 8.277 2.863 ( -11.498 -2.679 -4.274) 12.556 2.929 ( -6.070 1.411 0.512) 6.253 3.002 ( 2.145 -3.904 -0.428) 4.475 3.142 ( -8.948 0.394 -2.920) 9.421 3.360 ( -4.518 -2.850 -2.295) 5.814 3.431 ( -2.599 -17.990 1.406) 18.231 3.539 ( 15.962 7.584 5.664) 18.558 3.615 ( 12.900 4.208 4.077) 14.168 3.781 ( 4.770 18.423 -4.093) 19.466 4.082 ( 12.781 9.950 -8.787) 18.427 4.092 ( 3.385 9.575 -5.360) 11.484 4.619 ( 5.566 2.463 -2.293) 6.504 4.797 ( 1.210 0.333 6.680) 6.797 4.955 ( 12.474 4.273 1.739) 13.300 5.114 ( 6.005 -1.479 -5.004) 7.956 5.214 ( -3.498 2.704 0.184) 4.425 5.283 ( 10.893 -0.516 2.411) 11.168 5.385 ( 1.268 0.371 3.437) 3.682 5.665 ( -3.561 5.775 -23.024) 24.003 6.283 ( 1.955 -3.023 -7.211) 8.060 6.399 ( 2.344 -4.406 3.372) 6.023 6.549 ( 0.097 0.132 8.509) 8.511 6.627 ( 0.850 -6.794 7.072) 9.843 6.966 ( 8.114 3.721 6.159) 10.845 7.045 ( 9.990 -11.370 8.878) 17.547 7.509 ( -4.706 -5.771 3.825) 8.372 7.730 ( -5.938 -15.851 -2.242) 17.075 7.824 ( 5.937 5.354 4.002) 8.940 8.273 ( 9.471 8.348 4.584) 13.432 8.459 ( -6.610 -0.139 7.694) 10.144 8.553 ( 0.209 -3.326 12.496) 12.933 8.939 ( -1.918 -9.040 1.719) 9.399 9.004 ( 15.497 12.801 -0.948) 20.123 9.503 ( -1.202 11.900 -9.165) 15.068 9.617 ( 20.314 2.119 -3.318) 20.692 10.298 ( -14.205 20.741 -0.758) 25.151 10.594 ( 20.502 -8.630 -14.553) 26.582 11.278 ( -15.185 -11.652 -7.636) 20.608 11.604 ( -12.956 -0.354 -12.806) 18.220 12.107 ( 5.579 6.357 13.733) 16.129 12.255 ( 0.238 2.392 14.095) 14.299 12.765 ( -0.842 -4.384 4.147) 6.093 12.859 ( -4.397 -4.794 2.148) 6.850 15.750 ( 4.763 18.752 1.181) 19.384 15.985 ( -0.879 11.393 -3.600) 11.981 16.149 ( 13.547 3.177 -16.262) 21.402 16.549 ( 12.785 -0.196 -14.966) 19.685 16.923 ( 20.819 -1.527 16.782) 26.785 17.150 ( -14.544 0.489 -18.447) 23.495 17.446 ( -14.561 -1.200 -14.465) 20.560 17.723 ( -4.828 -7.561 7.304) 11.568 21.823 ( 18.566 -0.563 9.629) 20.922 22.761 ( 16.710 -10.815 4.895) 20.498 22.963 ( -16.981 2.523 -3.699) 17.562 23.825 ( -14.052 -10.049 -1.922) 17.382 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 15.519 0.770 -3.843) 16.006 2.267 ( 13.920 -2.802 -0.277) 14.201 2.534 ( -9.688 -0.976 -4.355) 10.666 2.591 ( -11.680 -4.143 -4.050) 13.038 2.707 ( 7.285 -5.071 -0.936) 8.925 2.758 ( 4.624 2.074 -0.031) 5.068 2.824 ( -4.067 1.554 0.268) 4.362 2.911 ( -10.776 1.588 -0.916) 10.931 3.043 ( 1.134 -6.166 0.510) 6.290 3.148 ( -9.982 -10.812 2.598) 14.943 3.494 ( 3.565 -7.123 1.241) 8.062 3.551 ( -2.395 -2.098 3.002) 4.376 3.868 ( 5.903 15.683 -4.375) 17.319 3.935 ( 1.511 9.440 -3.473) 10.172 4.254 ( 15.753 7.355 -7.286) 18.850 4.430 ( 19.697 13.488 -0.198) 23.874 4.551 ( -9.069 2.737 -7.606) 12.149 4.793 ( -8.948 12.075 3.810) 15.504 5.052 ( -0.665 1.065 -1.868) 2.251 5.099 ( -2.138 0.652 -0.516) 2.294 5.253 ( 8.926 -0.136 -0.926) 8.975 5.378 ( -2.888 1.179 1.037) 3.287 5.507 ( 8.719 0.790 -4.960) 10.062 5.618 ( -3.108 3.598 -14.921) 15.661 6.295 ( 1.678 -3.064 -11.378) 11.902 6.371 ( -5.079 -2.854 -11.824) 13.181 6.601 ( 6.291 -3.804 18.555) 19.959 6.678 ( 0.175 -6.270 17.299) 18.401 7.129 ( 9.257 -2.176 7.980) 12.414 7.253 ( 11.857 -17.232 7.339) 22.168 7.334 ( -11.417 -7.949 5.456) 14.943 7.497 ( -13.066 -21.049 3.952) 25.088 8.012 ( 10.334 7.270 9.430) 15.766 8.226 ( -11.539 3.738 10.410) 15.984 8.608 ( 16.558 15.458 -4.366) 23.069 8.634 ( 5.743 -7.863 8.439) 12.886 8.832 ( -3.391 -5.457 4.448) 7.814 9.057 ( -16.034 24.688 -6.351) 30.115 9.534 ( 18.193 17.463 -4.512) 25.618 9.904 ( -15.906 16.910 -0.416) 23.219 10.319 ( 29.588 -5.054 -3.173) 30.184 10.872 ( -23.763 -9.549 -4.878) 26.071 10.988 ( 17.283 -7.244 -15.255) 24.164 11.325 ( -16.102 -4.975 -14.813) 22.438 12.211 ( 4.410 4.187 12.215) 13.645 12.259 ( -0.612 3.084 13.177) 13.547 12.755 ( 0.184 -3.952 3.836) 5.511 12.784 ( -2.919 -4.104 2.924) 5.824 15.842 ( 4.710 17.111 0.252) 17.749 15.927 ( -4.008 14.984 -0.759) 15.530 16.466 ( 18.007 2.040 -21.881) 28.411 16.815 ( -12.955 0.840 -21.094) 24.768 16.829 ( 10.875 -0.402 -17.974) 21.012 17.142 ( -16.380 -1.166 -17.196) 23.777 17.311 ( 16.817 -4.172 12.735) 21.503 17.577 ( -10.576 -6.438 9.730) 15.747 22.205 ( 20.659 0.888 4.417) 21.145 22.602 ( -20.026 2.058 -0.411) 20.135 23.124 ( 20.086 -10.912 2.967) 23.051 23.505 ( -18.784 -10.597 0.299) 21.569 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 23.873 12.563) 26.977 1.459 ( 0.000 24.505 9.662) 26.341 2.307 ( 0.000 -16.208 7.946) 18.051 2.323 ( 0.000 -15.425 5.157) 16.264 2.663 ( 0.000 37.336 13.590) 39.733 2.924 ( 0.000 12.824 -0.727) 12.844 3.009 ( 0.000 -0.769 -4.356) 4.423 3.115 ( 0.000 2.901 2.276) 3.687 3.157 ( 0.000 1.631 -8.013) 8.177 3.388 ( 0.000 6.954 6.993) 9.862 3.458 ( 0.000 0.602 -6.611) 6.639 3.635 ( 0.000 -5.148 -1.186) 5.283 3.690 ( 0.000 -5.929 -1.427) 6.098 3.884 ( 0.000 -5.231 -6.671) 8.478 4.002 ( 0.000 -3.548 -20.134) 20.444 4.236 ( 0.000 21.317 -4.720) 21.833 4.307 ( 0.000 -11.332 9.452) 14.757 4.347 ( 0.000 8.986 -0.815) 9.023 4.654 ( 0.000 18.247 4.705) 18.844 4.776 ( 0.000 12.444 8.343) 14.982 4.830 ( 0.000 -4.131 -4.465) 6.083 4.896 ( 0.000 -7.983 15.014) 17.004 5.329 ( 0.000 -11.252 -0.201) 11.254 5.791 ( 0.000 -18.718 16.211) 24.763 6.344 ( 0.000 9.038 1.428) 9.150 6.444 ( 0.000 6.199 -6.252) 8.804 6.506 ( 0.000 9.525 9.421) 13.397 6.623 ( 0.000 4.022 -8.053) 9.001 6.687 ( 0.000 -5.823 3.230) 6.659 6.948 ( 0.000 11.171 6.422) 12.885 7.027 ( 0.000 -5.675 -16.989) 17.912 7.151 ( 0.000 6.518 8.879) 11.015 7.566 ( 0.000 -11.384 10.450) 15.453 7.688 ( 0.000 -23.631 -2.975) 23.817 8.254 ( 0.000 3.415 6.531) 7.370 8.568 ( 0.000 4.746 11.254) 12.214 8.653 ( 0.000 9.196 -4.661) 10.310 8.862 ( 0.000 -17.494 2.278) 17.642 9.103 ( 0.000 -7.622 15.048) 16.869 9.352 ( 0.000 -15.576 -11.436) 19.324 10.549 ( 0.000 22.406 -6.749) 23.401 11.161 ( 0.000 11.994 -8.312) 14.592 11.344 ( 0.000 -2.148 -3.635) 4.222 11.903 ( 0.000 -8.026 -9.191) 12.202 12.341 ( 0.000 1.698 15.706) 15.798 12.403 ( 0.000 8.690 7.859) 11.716 12.621 ( 0.000 -7.521 7.532) 10.644 12.848 ( 0.000 -10.227 2.177) 10.456 15.693 ( 0.000 3.778 6.711) 7.701 15.849 ( 0.000 -3.162 6.622) 7.338 16.109 ( 0.000 16.347 8.757) 18.545 16.196 ( 0.000 20.357 5.282) 21.032 16.281 ( 0.000 -0.919 5.668) 5.742 17.369 ( 0.000 -20.768 0.307) 20.770 17.750 ( 0.000 2.404 -5.132) 5.667 17.858 ( 0.000 -2.352 -5.238) 5.742 21.425 ( 0.000 12.968 0.227) 12.970 22.058 ( 0.000 -14.672 2.906) 14.957 23.565 ( 0.000 5.421 -6.031) 8.110 23.964 ( 0.000 -12.404 -4.511) 13.198 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 10.686 21.987 8.295) 25.815 1.629 ( 14.334 20.992 9.123) 27.006 2.369 ( 4.596 -15.009 4.190) 16.246 2.400 ( 7.230 -15.066 6.378) 17.887 2.758 ( 6.379 20.884 6.023) 22.652 2.893 ( 0.910 20.584 1.596) 20.666 2.990 ( -2.842 0.997 -2.728) 4.064 3.094 ( 0.066 -0.544 2.045) 2.117 3.165 ( -0.761 1.759 -4.433) 4.830 3.357 ( -2.967 6.846 3.406) 8.202 3.426 ( -4.869 -1.995 -0.401) 5.277 3.552 ( -3.897 -0.644 -6.119) 7.283 3.668 ( -4.929 -6.921 2.312) 8.805 3.916 ( 2.813 -1.671 -11.146) 11.616 4.013 ( 2.247 -1.178 -18.485) 18.658 4.243 ( -0.718 6.115 0.258) 6.163 4.311 ( 6.485 9.764 0.274) 11.725 4.487 ( 10.527 0.756 7.206) 12.780 4.711 ( 5.264 14.176 3.270) 15.471 4.769 ( -0.498 5.129 6.355) 8.182 4.871 ( 5.435 0.745 2.524) 6.039 4.986 ( 8.157 -7.212 8.026) 13.526 5.360 ( 2.839 -6.725 1.481) 7.448 5.837 ( 4.900 -17.409 14.385) 23.109 6.252 ( -9.247 12.666 -5.290) 16.550 6.361 ( -2.281 7.546 1.131) 7.964 6.579 ( 2.399 0.171 2.845) 3.726 6.640 ( -3.602 -2.656 -1.205) 4.635 6.706 ( 6.267 1.457 -3.035) 7.114 6.979 ( -1.982 11.565 12.549) 17.180 7.128 ( 18.703 2.217 -4.692) 19.409 7.474 ( 17.221 1.282 -8.332) 19.174 7.627 ( -5.204 -25.188 -2.701) 25.861 7.702 ( 19.640 -10.896 11.156) 25.078 8.244 ( -0.092 3.215 5.540) 6.406 8.519 ( -3.062 4.529 8.652) 10.234 8.709 ( 2.308 -0.926 -1.569) 2.940 8.872 ( 0.650 -12.477 5.321) 13.580 8.973 ( -5.958 -0.719 8.111) 10.090 9.557 ( 16.040 -15.707 -8.763) 24.099 10.495 ( -5.526 22.988 -7.956) 24.946 11.121 ( -4.254 14.146 -7.476) 16.556 11.312 ( -3.287 -5.160 -4.424) 7.550 11.871 ( -3.619 -8.739 -9.417) 13.348 12.293 ( -4.036 5.803 16.812) 18.238 12.382 ( -1.408 8.816 7.132) 11.427 12.631 ( 0.706 -7.941 6.938) 10.568 12.831 ( -1.736 -10.057 2.358) 10.474 15.762 ( 6.760 4.313 0.426) 8.030 15.933 ( 7.479 -3.402 1.400) 8.335 16.163 ( 3.362 28.367 4.497) 28.918 16.257 ( 8.297 6.824 12.023) 16.123 16.330 ( 4.744 0.995 5.054) 7.002 17.358 ( -1.395 -19.283 -1.277) 19.376 17.713 ( -3.725 1.025 -4.632) 6.032 17.807 ( -5.325 -2.335 -6.593) 8.791 21.445 ( 3.073 11.893 4.204) 12.983 22.089 ( 3.513 -15.434 3.707) 16.257 23.507 ( -5.966 5.742 -5.874) 10.152 23.923 ( -4.341 -12.787 -4.388) 14.199 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 14.602 16.634 5.046) 22.702 1.893 ( 12.336 17.522 5.231) 22.058 2.447 ( 3.100 -11.031 0.379) 11.465 2.512 ( 1.689 -9.438 4.823) 10.733 2.743 ( 1.106 -0.469 -1.524) 1.940 2.883 ( -8.246 -0.040 0.568) 8.266 2.967 ( -8.172 -4.005 -4.415) 10.115 3.097 ( -0.554 -5.323 -2.050) 5.731 3.228 ( -0.243 3.920 -3.664) 5.372 3.296 ( 4.673 15.635 4.337) 16.885 3.340 ( -2.460 -2.754 -2.728) 4.591 3.502 ( -5.628 -4.597 1.258) 7.374 3.558 ( 5.309 12.238 8.695) 15.923 4.013 ( 8.012 3.077 -14.970) 17.256 4.098 ( 5.702 2.016 -14.981) 16.156 4.267 ( 1.870 15.018 0.612) 15.147 4.483 ( 11.407 2.458 -1.230) 11.733 4.710 ( 6.211 2.049 8.304) 10.570 4.789 ( 9.075 -6.627 4.929) 12.271 4.857 ( 8.517 5.982 1.186) 10.476 5.025 ( 9.822 2.699 3.381) 10.732 5.173 ( 10.321 -3.854 4.720) 11.985 5.427 ( 3.819 3.541 4.527) 6.901 5.951 ( 3.031 -3.622 -0.071) 4.723 6.081 ( -4.496 1.459 -1.853) 5.077 6.343 ( -0.477 5.237 0.956) 5.345 6.513 ( -5.974 -4.738 -5.448) 9.371 6.614 ( -1.638 -3.783 0.162) 4.126 6.847 ( 6.887 2.535 3.509) 8.134 6.960 ( 0.504 8.102 16.287) 18.198 7.365 ( 2.470 -13.709 3.723) 14.419 7.472 ( -9.152 -17.330 0.580) 19.607 7.839 ( 20.798 15.084 -2.765) 25.840 8.139 ( 13.680 -2.007 6.269) 15.182 8.413 ( 19.459 -2.684 -3.369) 19.930 8.477 ( 0.162 1.830 8.682) 8.874 8.692 ( -1.612 -12.293 5.867) 13.716 8.801 ( 0.220 -12.773 6.153) 14.179 9.106 ( 15.358 16.037 -1.135) 22.234 9.907 ( 19.875 -16.300 -10.885) 27.914 10.336 ( -10.902 24.026 -10.771) 28.498 10.988 ( -9.722 17.684 -5.156) 20.828 11.210 ( -7.735 -10.815 -6.528) 14.812 11.743 ( -10.021 -10.027 -8.717) 16.642 12.243 ( -0.299 10.264 13.897) 17.279 12.360 ( -0.718 8.224 8.711) 12.001 12.641 ( 0.270 -7.968 6.231) 10.119 12.784 ( -2.986 -9.380 2.834) 10.244 15.938 ( 11.191 4.866 -10.335) 15.992 16.094 ( 8.590 -1.033 -5.476) 10.239 16.214 ( 2.470 30.326 1.506) 30.463 16.436 ( 6.597 5.167 1.565) 8.524 16.524 ( 17.051 0.426 16.373) 23.643 17.297 ( -5.526 -13.363 -7.244) 16.174 17.619 ( -5.526 -4.260 -1.559) 7.150 17.655 ( -10.322 -2.164 -9.899) 14.464 21.580 ( 11.365 8.899 8.683) 16.845 22.210 ( 9.499 -16.702 5.058) 19.869 23.336 ( -11.749 6.484 -5.169) 14.380 23.792 ( -9.391 -13.748 -3.813) 17.080 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 11.372 10.940 2.119) 15.922 2.110 ( 10.396 12.027 1.785) 15.998 2.452 ( -0.526 -6.257 -0.927) 6.348 2.555 ( 3.710 -6.491 -0.142) 7.478 2.693 ( -9.761 -1.893 -0.141) 9.943 2.782 ( -7.159 -3.424 0.551) 7.955 2.834 ( 3.751 -5.529 -0.202) 6.685 2.985 ( -8.715 -11.392 1.704) 14.444 3.110 ( -8.138 -1.117 -4.680) 9.454 3.206 ( -9.666 3.199 -3.058) 10.631 3.302 ( -0.343 -3.107 -2.462) 3.979 3.463 ( -1.098 -5.767 1.934) 6.181 3.944 ( 21.259 19.814 1.110) 29.082 4.203 ( 6.150 7.612 -11.489) 15.092 4.215 ( 7.789 8.916 -9.132) 14.952 4.337 ( 11.727 14.523 -2.949) 18.898 4.691 ( -3.426 -3.226 4.471) 6.491 4.732 ( 12.766 3.756 -4.916) 14.186 5.028 ( 10.177 0.872 1.321) 10.299 5.087 ( 13.677 -5.470 -0.776) 14.750 5.216 ( 10.006 0.887 6.447) 11.936 5.331 ( 4.211 1.084 1.960) 4.770 5.469 ( -1.121 11.470 5.967) 12.978 5.842 ( -7.428 11.601 -18.696) 23.222 6.164 ( 5.240 -12.017 4.477) 13.853 6.339 ( 0.112 -0.083 -1.744) 1.749 6.429 ( -0.734 -7.619 -1.253) 7.756 6.548 ( -4.254 -2.813 2.738) 5.789 6.946 ( 3.542 -0.094 11.093) 11.645 7.000 ( 3.056 0.811 15.298) 15.621 7.258 ( -9.490 -18.519 2.926) 21.014 7.342 ( -6.297 -11.084 12.964) 18.182 8.033 ( 4.034 9.852 5.980) 12.210 8.391 ( -0.401 -1.255 5.277) 5.439 8.474 ( -3.270 -3.212 10.840) 11.769 8.549 ( 7.118 0.042 0.478) 7.135 8.714 ( 12.814 2.474 0.411) 13.057 9.268 ( 34.865 -4.189 -6.848) 35.777 9.486 ( 23.137 13.417 -0.807) 26.758 10.073 ( -14.726 25.848 -12.618) 32.314 10.316 ( 21.058 -17.164 -12.864) 30.059 10.746 ( -15.240 19.063 -2.968) 24.586 10.996 ( -14.759 -14.035 -7.590) 21.735 11.491 ( -15.813 -10.634 -8.529) 20.878 12.275 ( 2.907 9.297 10.666) 14.445 12.357 ( 0.257 7.347 9.881) 12.315 12.642 ( -0.081 -7.339 5.779) 9.342 12.722 ( -3.230 -8.160 3.505) 9.450 16.180 ( 12.632 6.364 -15.098) 20.689 16.244 ( 6.089 12.242 -4.908) 14.527 16.267 ( 4.350 20.887 -2.990) 21.544 16.583 ( 9.516 5.051 -6.128) 12.394 16.867 ( 17.080 -4.229 14.077) 22.534 17.128 ( -11.762 -4.790 -15.572) 20.094 17.414 ( -14.273 -1.750 -13.566) 19.769 17.512 ( -5.860 -11.094 3.917) 13.144 21.876 ( 18.766 6.848 7.978) 21.510 22.462 ( 16.513 -17.122 5.002) 24.308 23.058 ( -16.958 7.099 -3.412) 18.698 23.557 ( -14.993 -14.882 -2.386) 21.259 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 5.333 2.363 0.414) 5.848 2.267 ( 4.093 3.012 0.043) 5.082 2.466 ( 1.192 -6.929 -2.240) 7.379 2.548 ( -5.487 -3.206 -5.504) 8.407 2.607 ( 3.737 -0.189 1.561) 4.054 2.737 ( -5.318 -4.380 2.064) 7.193 2.785 ( 2.115 -2.997 2.730) 4.573 2.893 ( -5.350 -5.639 1.472) 7.911 2.988 ( -1.246 2.519 -3.181) 4.244 3.046 ( -6.299 4.550 -1.666) 7.947 3.334 ( 3.575 -9.305 -1.790) 10.128 3.414 ( -3.911 -9.122 0.808) 9.958 4.170 ( 4.870 11.809 -7.907) 15.023 4.225 ( -1.476 15.166 -5.110) 16.071 4.387 ( 10.554 3.835 -11.984) 16.423 4.569 ( -7.478 -1.685 -6.669) 10.160 4.776 ( 24.355 17.476 0.508) 29.981 4.962 ( 9.320 5.774 -2.006) 11.146 5.151 ( -3.966 4.368 -3.632) 6.928 5.216 ( -0.423 1.117 -5.402) 5.533 5.256 ( -3.480 12.821 4.321) 13.970 5.384 ( -5.207 -1.167 -0.383) 5.350 5.489 ( 14.433 -3.602 3.767) 15.346 5.715 ( -8.051 3.972 -5.479) 10.517 6.218 ( 3.157 -3.886 -9.852) 11.051 6.309 ( -4.573 -1.312 -10.764) 11.769 6.485 ( 3.708 -10.920 9.126) 14.706 6.511 ( 0.596 -6.295 9.845) 11.701 7.010 ( 3.434 -4.827 13.430) 14.678 7.053 ( 2.181 -5.589 17.493) 18.493 7.112 ( -4.202 -10.471 7.484) 13.539 7.191 ( -8.265 -9.283 15.877) 20.164 8.127 ( 6.251 5.950 8.710) 12.262 8.269 ( -8.103 1.987 10.138) 13.130 8.467 ( 1.743 -7.818 7.857) 11.220 8.521 ( -3.540 -11.694 4.661) 13.077 9.179 ( 25.913 24.948 -9.650) 37.243 9.618 ( -16.180 27.537 -9.936) 33.448 9.893 ( 23.887 8.345 -9.401) 26.993 10.060 ( 20.610 1.396 -2.818) 20.849 10.405 ( -15.446 14.230 -3.820) 21.346 10.614 ( -18.169 -12.740 -3.950) 22.539 10.763 ( 16.828 -14.353 -12.706) 25.507 11.147 ( -19.472 -12.396 -10.303) 25.277 12.332 ( 2.491 7.208 9.652) 12.301 12.359 ( -0.384 6.503 9.890) 11.842 12.644 ( 0.466 -6.669 5.198) 8.468 12.668 ( -2.160 -6.937 4.325) 8.456 16.293 ( 1.362 23.889 -0.869) 23.943 16.295 ( 1.449 18.592 -2.714) 18.845 16.517 ( 16.748 2.505 -20.496) 26.587 16.813 ( 10.100 0.553 -14.519) 17.695 16.846 ( -11.838 0.589 -18.894) 22.304 17.114 ( -14.337 -1.458 -14.053) 20.128 17.176 ( 11.277 -8.909 8.819) 16.862 17.378 ( -8.466 -12.480 7.481) 16.834 22.275 ( 21.817 6.699 4.031) 23.176 22.690 ( -20.556 7.061 -0.293) 21.737 22.828 ( 20.312 -16.618 2.996) 26.414 23.221 ( -19.535 -15.893 0.055) 25.183 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 -3.198 5.395) 6.271 1.872 ( 0.000 3.198 5.395) 6.271 1.986 ( 0.000 -3.694 9.993) 10.653 1.986 ( 0.000 3.694 9.993) 10.653 2.955 ( 0.000 -4.713 -3.674) 5.976 2.955 ( 0.000 4.713 -3.674) 5.976 3.164 ( 0.000 -2.717 -5.362) 6.011 3.164 ( 0.000 2.717 -5.362) 6.011 3.420 ( 0.000 -8.255 -3.277) 8.882 3.420 ( 0.000 8.255 -3.277) 8.882 3.518 ( 0.000 -6.646 3.578) 7.548 3.518 ( 0.000 6.646 3.578) 7.548 3.725 ( 0.000 -14.109 5.278) 15.064 3.725 ( 0.000 14.109 5.278) 15.064 3.973 ( 0.000 -5.924 -7.842) 9.828 3.973 ( 0.000 5.924 -7.842) 9.828 4.458 ( 0.000 -0.196 -6.039) 6.042 4.458 ( 0.000 0.196 -6.039) 6.042 4.782 ( 0.000 -0.708 7.369) 7.403 4.782 ( 0.000 0.708 7.369) 7.403 5.035 ( 0.000 -17.135 1.813) 17.230 5.035 ( 0.000 17.135 1.813) 17.230 5.286 ( 0.000 -28.814 13.888) 31.986 5.286 ( 0.000 28.814 13.888) 31.986 6.516 ( 0.000 -4.775 5.462) 7.255 6.516 ( 0.000 4.775 5.462) 7.255 6.553 ( 0.000 -1.034 -3.979) 4.112 6.553 ( 0.000 1.034 -3.979) 4.112 6.866 ( 0.000 -12.586 -11.844) 17.282 6.866 ( 0.000 12.586 -11.844) 17.282 7.167 ( 0.000 -14.772 0.930) 14.802 7.167 ( 0.000 14.772 0.930) 14.802 7.389 ( 0.000 -13.915 14.691) 20.235 7.389 ( 0.000 13.915 14.691) 20.235 8.441 ( 0.000 -13.327 0.756) 13.348 8.441 ( 0.000 13.327 0.756) 13.348 8.774 ( 0.000 -2.627 12.555) 12.827 8.774 ( 0.000 2.627 12.555) 12.827 9.055 ( 0.000 -9.349 -4.196) 10.247 9.055 ( 0.000 9.349 -4.196) 10.247 10.965 ( 0.000 -17.583 -8.119) 19.367 10.965 ( 0.000 17.583 -8.119) 19.367 11.638 ( 0.000 -16.819 -5.597) 17.726 11.638 ( 0.000 16.819 -5.597) 17.726 12.455 ( 0.000 -7.937 10.506) 13.167 12.455 ( 0.000 7.937 10.506) 13.167 12.619 ( 0.000 -11.488 4.226) 12.241 12.619 ( 0.000 11.488 4.226) 12.241 15.774 ( 0.000 -3.941 6.644) 7.725 15.774 ( 0.000 3.941 6.644) 7.725 16.227 ( 0.000 -3.846 9.885) 10.607 16.227 ( 0.000 3.846 9.885) 10.607 16.833 ( 0.000 -30.651 1.343) 30.680 16.833 ( 0.000 30.651 1.343) 30.680 17.804 ( 0.000 -2.747 -5.175) 5.859 17.804 ( 0.000 2.747 -5.175) 5.859 21.732 ( 0.000 -16.215 0.879) 16.238 21.732 ( 0.000 16.215 0.879) 16.238 23.724 ( 0.000 -10.130 -5.332) 11.448 23.724 ( 0.000 10.130 -5.332) 11.448 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 9.233 -8.133 3.820) 12.883 1.981 ( 9.233 8.133 3.820) 12.883 2.071 ( 7.994 -7.213 8.476) 13.703 2.071 ( 7.994 7.213 8.476) 13.703 2.934 ( -2.582 -4.990 -2.801) 6.278 2.934 ( -2.582 4.990 -2.801) 6.278 3.101 ( -6.335 -1.682 -3.631) 7.493 3.101 ( -6.335 1.682 -3.631) 7.493 3.376 ( -2.609 -4.337 -5.995) 7.846 3.376 ( -2.609 4.337 -5.995) 7.846 3.500 ( -3.415 -5.816 5.320) 8.590 3.500 ( -3.415 5.816 5.320) 8.590 3.802 ( 7.807 -19.720 5.163) 21.828 3.802 ( 7.807 19.720 5.163) 21.828 3.983 ( 2.524 -3.733 -11.837) 12.666 3.983 ( 2.524 3.733 -11.837) 12.666 4.506 ( 4.708 -3.670 -1.158) 6.080 4.506 ( 4.708 3.670 -1.158) 6.080 4.858 ( 6.822 -4.747 5.734) 10.097 4.858 ( 6.822 4.747 5.734) 10.097 4.977 ( -3.004 -6.664 2.873) 7.854 4.977 ( -3.004 6.664 2.873) 7.854 5.409 ( 10.562 -19.296 11.718) 24.924 5.409 ( 10.562 19.296 11.718) 24.924 6.471 ( -5.372 -8.175 -2.613) 10.125 6.471 ( -5.372 8.175 -2.613) 10.125 6.522 ( -1.891 -5.151 -2.263) 5.935 6.522 ( -1.891 5.151 -2.263) 5.935 6.929 ( 4.195 -14.931 -1.369) 15.569 6.929 ( 4.195 14.931 -1.369) 15.569 7.268 ( 1.436 -11.850 6.893) 13.784 7.268 ( 1.436 11.850 6.893) 13.784 7.523 ( 21.912 -5.122 3.245) 22.736 7.523 ( 21.912 5.122 3.245) 22.736 8.425 ( -1.291 -13.149 1.167) 13.264 8.425 ( -1.291 13.149 1.167) 13.264 8.689 ( -6.348 -8.089 11.705) 15.580 8.689 ( -6.348 8.089 11.705) 15.580 9.203 ( 12.890 -17.223 -4.478) 21.974 9.203 ( 12.890 17.223 -4.478) 21.974 10.927 ( -4.110 -18.380 -8.962) 20.857 10.927 ( -4.110 18.380 -8.962) 20.857 11.593 ( -4.778 -17.239 -5.078) 18.596 11.593 ( -4.778 17.239 -5.078) 18.596 12.450 ( -0.384 -8.602 10.044) 13.230 12.450 ( -0.384 8.602 10.044) 13.230 12.606 ( -1.306 -11.230 4.443) 12.148 12.606 ( -1.306 11.230 4.443) 12.148 15.852 ( 7.391 -4.306 1.021) 8.614 15.852 ( 7.391 4.306 1.021) 8.614 16.306 ( 7.975 -2.594 11.234) 14.019 16.306 ( 7.975 2.594 11.234) 14.019 16.838 ( 0.458 -30.160 1.044) 30.181 16.838 ( 0.458 30.160 1.044) 30.181 17.755 ( -5.110 -2.553 -6.218) 8.443 17.755 ( -5.110 2.553 -6.218) 8.443 21.749 ( 2.356 -16.685 2.758) 17.074 21.749 ( 2.356 16.685 2.758) 17.074 23.675 ( -5.193 -10.556 -5.197) 12.861 23.675 ( -5.193 10.556 -5.197) 12.861 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 9.141 -14.932 1.769) 17.597 2.166 ( 9.141 14.932 1.769) 17.597 2.243 ( 8.729 -14.879 5.904) 18.233 2.243 ( 8.729 14.879 5.904) 18.233 2.812 ( -8.752 -5.572 -3.284) 10.883 2.812 ( -8.752 5.572 -3.284) 10.883 2.966 ( -8.184 -4.493 -0.058) 9.337 2.966 ( -8.184 4.493 -0.058) 9.337 3.310 ( -5.982 -2.716 -5.605) 8.636 3.310 ( -5.982 2.716 -5.605) 8.636 3.414 ( -3.214 -3.118 1.624) 4.763 3.414 ( -3.214 3.118 1.624) 4.763 4.020 ( 13.043 -14.396 -3.205) 19.688 4.020 ( 13.043 14.396 -3.205) 19.688 4.109 ( 11.516 -7.827 -7.415) 15.775 4.109 ( 11.516 7.827 -7.415) 15.775 4.624 ( 6.809 -7.814 4.755) 11.403 4.624 ( 6.809 7.814 4.755) 11.403 4.890 ( 0.016 -5.798 -0.547) 5.824 4.890 ( 0.016 5.798 -0.547) 5.824 5.094 ( 11.647 -3.503 4.770) 13.064 5.094 ( 11.647 3.503 4.770) 13.064 5.637 ( 12.025 -16.627 10.376) 22.994 5.637 ( 12.025 16.627 10.376) 22.994 6.310 ( -9.809 -11.113 -9.948) 17.852 6.310 ( -9.809 11.113 -9.948) 17.852 6.503 ( -1.254 -5.904 -1.014) 6.120 6.503 ( -1.254 5.904 -1.014) 6.120 6.978 ( 0.933 -10.058 5.746) 11.622 6.978 ( 0.933 10.058 5.746) 11.622 7.221 ( -4.113 -9.791 13.861) 17.462 7.221 ( -4.113 9.791 13.861) 17.462 8.089 ( 26.499 -6.598 -4.553) 27.685 8.089 ( 26.499 6.598 -4.553) 27.685 8.436 ( 5.671 -7.830 1.827) 9.839 8.436 ( 5.671 7.830 1.827) 9.839 8.584 ( -2.065 -7.881 11.665) 14.228 8.584 ( -2.065 7.881 11.665) 14.228 9.510 ( 18.609 -20.916 -7.248) 28.919 9.510 ( 18.609 20.916 -7.248) 28.919 10.801 ( -9.156 -20.211 -10.813) 24.682 10.801 ( -9.156 20.211 -10.813) 24.682 11.448 ( -10.401 -17.711 -3.979) 20.921 11.448 ( -10.401 17.711 -3.979) 20.921 12.448 ( 0.377 -9.066 8.748) 12.604 12.448 ( 0.377 9.066 8.748) 12.604 12.574 ( -1.775 -10.126 5.250) 11.543 12.574 ( -1.775 10.126 5.250) 11.543 16.032 ( 10.926 -4.178 -8.774) 14.622 16.032 ( 10.926 4.178 -8.774) 14.622 16.510 ( 12.178 -1.854 11.223) 16.664 16.510 ( 12.178 1.854 11.223) 16.664 16.845 ( -0.018 -28.344 -0.027) 28.344 16.845 ( -0.018 28.344 -0.027) 28.344 17.611 ( -9.639 -1.721 -8.518) 12.978 17.611 ( -9.639 1.721 -8.518) 12.978 21.854 ( 9.214 -16.656 5.704) 19.870 21.854 ( 9.214 16.656 5.704) 19.870 23.522 ( -10.670 -11.605 -4.556) 16.410 23.522 ( -10.670 11.605 -4.556) 16.410 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 3.117 -8.570 1.731) 9.282 2.300 ( 3.117 8.570 1.731) 9.282 2.374 ( 5.030 -11.013 1.812) 12.243 2.374 ( 5.030 11.013 1.812) 12.243 2.702 ( -2.703 -3.937 -1.403) 4.977 2.702 ( -2.703 3.937 -1.403) 4.977 2.792 ( -6.344 -3.060 2.757) 7.564 2.792 ( -6.344 3.060 2.757) 7.564 3.174 ( -6.638 -3.967 -6.974) 10.413 3.174 ( -6.638 3.967 -6.974) 10.413 3.348 ( -4.869 -5.397 0.765) 7.309 3.348 ( -4.869 5.397 0.765) 7.309 4.218 ( 8.593 -4.422 -15.483) 18.251 4.218 ( 8.593 4.422 -15.483) 18.251 4.397 ( 11.839 -8.199 -0.017) 14.401 4.397 ( 11.839 8.199 -0.017) 14.401 4.758 ( 9.975 -9.543 1.357) 13.872 4.758 ( 9.975 9.543 1.357) 13.872 4.987 ( 9.903 -2.935 0.160) 10.330 4.987 ( 9.903 2.935 0.160) 10.330 5.289 ( 7.012 -3.970 2.921) 8.571 5.289 ( 7.012 3.970 2.921) 8.571 5.803 ( 1.173 -18.092 8.023) 19.826 5.803 ( 1.173 18.092 8.023) 19.826 6.154 ( -2.902 -14.171 -11.619) 18.553 6.154 ( -2.902 14.171 -11.619) 18.553 6.459 ( -3.205 -5.348 -0.363) 6.245 6.459 ( -3.205 5.348 -0.363) 6.245 6.980 ( -0.220 -4.318 12.205) 12.949 6.980 ( -0.220 4.318 12.205) 12.949 7.132 ( -4.992 -7.817 15.665) 18.205 7.132 ( -4.992 7.817 15.665) 18.205 8.265 ( 0.908 -12.055 2.247) 12.296 8.265 ( 0.908 12.055 2.247) 12.296 8.431 ( -4.902 -0.296 9.910) 11.060 8.431 ( -4.902 0.296 9.910) 11.060 9.010 ( 34.840 -15.872 -4.175) 38.512 9.010 ( 34.840 15.872 -4.175) 38.512 9.906 ( 21.844 -21.817 -8.610) 32.051 9.906 ( 21.844 21.817 -8.610) 32.051 10.569 ( -14.803 -21.692 -12.118) 28.923 10.569 ( -14.803 21.692 -12.118) 28.923 11.191 ( -16.215 -17.736 -3.571) 24.295 11.191 ( -16.215 17.736 -3.571) 24.295 12.464 ( 1.157 -7.999 7.519) 11.039 12.464 ( 1.157 7.999 7.519) 11.039 12.542 ( -1.568 -8.217 6.246) 10.440 12.542 ( -1.568 8.217 6.246) 10.440 16.267 ( 13.228 -2.612 -15.013) 20.179 16.267 ( 13.228 2.612 -15.013) 20.179 16.738 ( 10.706 -7.315 7.499) 14.979 16.738 ( 10.706 7.315 7.499) 14.979 16.828 ( -1.887 -23.374 -2.404) 23.573 16.828 ( -1.887 23.374 -2.404) 23.573 17.393 ( -12.614 -0.690 -9.526) 15.822 17.393 ( -12.614 0.690 -9.526) 15.822 22.113 ( 17.284 -15.486 5.986) 23.966 22.113 ( 17.284 15.486 5.986) 23.966 23.263 ( -16.196 -12.751 -2.952) 20.823 23.263 ( -16.196 12.751 -2.952) 20.823 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 1.750 -5.392 1.873) 5.970 2.320 ( 1.750 5.392 1.873) 5.970 2.392 ( -4.119 -8.295 0.399) 9.270 2.392 ( -4.119 8.295 0.399) 9.270 2.683 ( 4.156 -5.578 1.163) 7.053 2.683 ( 4.156 5.578 1.163) 7.053 2.771 ( -1.990 -5.472 0.818) 5.879 2.771 ( -1.990 5.472 0.818) 5.879 3.113 ( 2.017 -7.016 -4.739) 8.704 3.113 ( 2.017 7.016 -4.739) 8.704 3.224 ( -7.357 -7.391 -0.789) 10.459 3.224 ( -7.357 7.391 -0.789) 10.459 4.364 ( 6.413 -6.019 -12.122) 14.976 4.364 ( 6.413 6.019 -12.122) 14.976 4.457 ( -2.664 -8.053 -6.403) 10.628 4.457 ( -2.664 8.053 -6.403) 10.628 5.050 ( 15.551 -4.126 -5.993) 17.169 5.050 ( 15.551 4.126 -5.993) 17.169 5.190 ( 5.714 -3.203 -3.588) 7.469 5.190 ( 5.714 3.203 -3.588) 7.469 5.361 ( 5.206 -4.076 5.578) 8.651 5.361 ( 5.206 4.076 5.578) 8.651 5.622 ( -15.745 -14.199 0.875) 21.220 5.622 ( -15.745 14.199 0.875) 21.220 6.245 ( 8.226 -8.330 -2.093) 11.893 6.245 ( 8.226 8.330 -2.093) 11.893 6.381 ( -5.292 -5.968 -0.281) 7.981 6.381 ( -5.292 5.968 -0.281) 7.981 6.986 ( 1.314 -2.205 16.216) 16.418 6.986 ( 1.314 2.205 16.216) 16.418 7.040 ( -4.108 -4.968 16.761) 17.958 7.040 ( -4.108 4.968 16.761) 17.958 8.285 ( 1.806 -8.918 5.813) 10.798 8.285 ( 1.806 8.918 5.813) 10.798 8.342 ( -4.001 -4.313 8.718) 10.517 8.342 ( -4.001 4.313 8.718) 10.517 9.648 ( 30.096 -19.852 -8.428) 37.026 9.648 ( 30.096 19.852 -8.428) 37.026 10.130 ( -15.872 -20.079 -10.339) 27.604 10.130 ( -15.872 20.079 -10.339) 27.604 10.426 ( 16.594 -16.115 -8.227) 24.551 10.426 ( 16.594 16.115 -8.227) 24.551 10.830 ( -20.874 -17.810 -4.839) 27.863 10.830 ( -20.874 17.810 -4.839) 27.863 12.489 ( 1.328 -6.541 6.990) 9.665 12.489 ( 1.328 6.541 6.990) 9.665 12.514 ( -1.329 -6.545 6.790) 9.524 12.514 ( -1.329 6.545 6.790) 9.524 16.526 ( 12.974 -3.368 -15.754) 20.684 16.526 ( 12.974 3.368 -15.754) 20.684 16.731 ( -7.566 -13.971 -9.176) 18.347 16.731 ( -7.566 13.971 -9.176) 18.347 16.942 ( 9.795 -11.046 2.736) 15.015 16.942 ( 9.795 11.046 2.736) 15.015 17.149 ( -11.994 -6.237 -5.132) 14.460 17.149 ( -11.994 6.237 -5.132) 14.460 22.494 ( 21.451 -14.366 3.371) 26.036 22.494 ( 21.451 14.366 3.371) 26.036 22.906 ( -20.505 -13.616 -0.147) 24.614 22.906 ( -20.505 13.616 -0.147) 24.614 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 0.000 29.817) 29.817 1.278 ( 0.000 0.000 27.685) 27.685 2.133 ( 0.000 0.000 38.187) 38.187 2.693 ( 0.000 0.000 6.456) 6.456 2.732 ( 0.000 0.000 1.471) 1.471 2.975 ( 0.000 0.000 -5.038) 5.038 3.011 ( 0.000 0.000 -8.405) 8.405 3.087 ( 0.000 0.000 -13.435) 13.435 3.121 ( 0.000 0.000 12.150) 12.150 3.231 ( 0.000 0.000 16.135) 16.135 3.314 ( 0.000 0.000 0.847) 0.847 3.414 ( 0.000 0.000 4.529) 4.529 3.642 ( 0.000 0.000 -12.138) 12.138 3.711 ( 0.000 0.000 -0.612) 0.612 3.789 ( 0.000 0.000 0.700) 0.700 4.017 ( 0.000 0.000 -13.630) 13.630 4.129 ( 0.000 0.000 5.308) 5.308 4.461 ( 0.000 0.000 13.471) 13.471 4.520 ( 0.000 0.000 8.541) 8.541 4.720 ( 0.000 0.000 -12.990) 12.990 4.922 ( 0.000 0.000 15.005) 15.005 5.346 ( 0.000 0.000 5.503) 5.503 5.507 ( 0.000 0.000 -5.578) 5.578 5.908 ( 0.000 0.000 5.463) 5.463 6.338 ( 0.000 0.000 1.050) 1.050 6.344 ( 0.000 0.000 1.472) 1.472 6.430 ( 0.000 0.000 -3.017) 3.017 6.560 ( 0.000 0.000 -3.068) 3.068 6.582 ( 0.000 0.000 -9.601) 9.601 6.814 ( 0.000 0.000 -12.158) 12.158 6.877 ( 0.000 0.000 23.933) 23.933 7.183 ( 0.000 0.000 8.888) 8.888 7.890 ( 0.000 0.000 10.165) 10.165 8.194 ( 0.000 0.000 -3.177) 3.177 8.666 ( 0.000 0.000 7.681) 7.681 8.712 ( 0.000 0.000 -4.145) 4.145 8.863 ( 0.000 0.000 23.653) 23.653 9.076 ( 0.000 0.000 5.277) 5.277 9.388 ( 0.000 0.000 -18.825) 18.825 9.390 ( 0.000 0.000 -3.577) 3.577 9.965 ( 0.000 0.000 10.367) 10.367 10.380 ( 0.000 0.000 -7.717) 7.717 11.376 ( 0.000 0.000 -10.712) 10.712 11.817 ( 0.000 0.000 -12.320) 12.320 12.475 ( 0.000 0.000 7.720) 7.720 12.812 ( 0.000 0.000 8.353) 8.353 12.921 ( 0.000 0.000 6.830) 6.830 13.091 ( 0.000 0.000 -0.168) 0.168 15.442 ( 0.000 0.000 5.445) 5.445 15.771 ( 0.000 0.000 10.227) 10.227 15.995 ( 0.000 0.000 0.471) 0.471 16.112 ( 0.000 0.000 12.954) 12.954 16.383 ( 0.000 0.000 21.125) 21.125 17.545 ( 0.000 0.000 -10.410) 10.410 17.754 ( 0.000 0.000 -10.733) 10.733 17.770 ( 0.000 0.000 -1.893) 1.893 21.425 ( 0.000 0.000 14.962) 14.962 22.563 ( 0.000 0.000 11.881) 11.881 23.284 ( 0.000 0.000 -12.886) 12.886 24.173 ( 0.000 0.000 -8.287) 8.287 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 11.078 0.000 25.141) 27.473 1.394 ( 9.781 0.000 23.379) 25.343 2.383 ( 24.357 0.000 30.417) 38.968 2.639 ( -4.436 0.000 4.787) 6.526 2.801 ( 6.643 0.000 0.333) 6.651 2.932 ( -5.285 0.000 -4.880) 7.193 3.024 ( 0.619 0.000 -5.139) 5.176 3.071 ( -0.272 0.000 -3.069) 3.081 3.153 ( 1.647 0.000 1.543) 2.257 3.268 ( -0.954 0.000 5.312) 5.397 3.301 ( 1.564 0.000 7.086) 7.257 3.324 ( -6.027 0.000 4.667) 7.623 3.596 ( -6.399 0.000 -9.404) 11.375 3.726 ( -2.381 0.000 -1.227) 2.679 3.749 ( 2.045 0.000 -1.810) 2.731 3.952 ( -2.936 0.000 -8.122) 8.636 4.321 ( 13.905 0.000 -1.214) 13.958 4.536 ( 7.493 0.000 9.989) 12.487 4.630 ( 10.060 0.000 6.074) 11.751 4.732 ( 1.646 0.000 -8.987) 9.136 4.933 ( 2.830 0.000 13.919) 14.204 5.378 ( 1.949 0.000 3.739) 4.217 5.490 ( -1.382 0.000 -3.830) 4.072 5.713 ( -18.160 0.000 -5.985) 19.121 6.291 ( -4.379 0.000 8.363) 9.440 6.338 ( 7.625 0.000 6.168) 9.807 6.483 ( -5.023 0.000 -10.303) 11.462 6.646 ( 2.031 0.000 -14.008) 14.155 6.760 ( 21.191 0.000 3.635) 21.501 6.839 ( 5.787 0.000 0.680) 5.827 6.917 ( 5.129 0.000 21.306) 21.915 7.276 ( 10.167 0.000 0.303) 10.171 8.068 ( 14.837 0.000 6.437) 16.173 8.288 ( 6.999 0.000 -5.961) 9.193 8.615 ( -4.982 0.000 6.204) 7.957 8.666 ( -1.145 0.000 -0.915) 1.466 8.884 ( 1.695 0.000 23.033) 23.096 8.966 ( -9.165 0.000 5.236) 10.555 9.398 ( 0.512 0.000 -2.456) 2.508 9.519 ( 10.057 0.000 -15.240) 18.259 9.908 ( -4.591 0.000 8.277) 9.465 10.340 ( -4.101 0.000 -6.828) 7.965 11.373 ( -0.559 0.000 -12.277) 12.290 11.762 ( -5.758 0.000 -12.024) 13.332 12.441 ( -4.093 0.000 10.091) 10.889 12.651 ( -10.983 0.000 15.790) 19.234 12.925 ( 0.093 0.000 5.979) 5.980 13.073 ( -1.817 0.000 0.088) 1.819 15.459 ( 1.739 0.000 5.064) 5.354 15.711 ( -4.481 0.000 5.786) 7.318 15.971 ( -1.906 0.000 -1.144) 2.223 16.107 ( -0.025 0.000 6.013) 6.013 16.555 ( 15.379 0.000 22.161) 26.974 17.387 ( -13.328 0.000 -13.282) 18.816 17.666 ( -8.982 0.000 -13.008) 15.808 17.850 ( 5.175 0.000 -0.527) 5.202 21.567 ( 12.046 0.000 13.828) 18.339 22.614 ( 5.308 0.000 11.842) 12.978 23.227 ( -5.849 0.000 -12.303) 13.623 24.145 ( -3.036 0.000 -7.921) 8.483 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 10.790 0.000 14.183) 17.820 1.655 ( 17.579 0.000 16.050) 23.804 2.563 ( -1.790 0.000 -1.328) 2.229 2.805 ( -5.987 0.000 -1.434) 6.156 2.929 ( 8.736 0.000 -0.943) 8.786 2.939 ( 0.573 0.000 -3.118) 3.170 2.993 ( 1.391 0.000 5.198) 5.381 3.040 ( 13.686 0.000 21.525) 25.507 3.138 ( -0.067 0.000 -8.808) 8.808 3.186 ( -5.615 0.000 0.234) 5.620 3.333 ( 5.263 0.000 6.506) 8.368 3.336 ( -4.214 0.000 -0.436) 4.236 3.445 ( -0.636 0.000 -9.069) 9.092 3.750 ( 2.024 0.000 -3.046) 3.657 3.753 ( -1.248 0.000 -2.158) 2.493 3.897 ( -3.343 0.000 -10.208) 10.741 4.574 ( 10.427 0.000 2.483) 10.719 4.718 ( 10.525 0.000 1.092) 10.582 4.816 ( 8.466 0.000 -1.314) 8.567 4.829 ( 8.232 0.000 9.113) 12.281 5.075 ( 10.271 0.000 3.846) 10.968 5.332 ( -17.538 0.000 -15.436) 23.363 5.341 ( -5.951 0.000 -2.275) 6.372 5.491 ( 1.114 0.000 3.121) 3.314 6.219 ( -3.098 0.000 3.446) 4.634 6.393 ( -4.464 0.000 -13.075) 13.816 6.538 ( 11.774 0.000 10.516) 15.786 6.662 ( 2.462 0.000 -11.091) 11.361 6.983 ( 6.569 0.000 22.266) 23.215 7.050 ( 14.293 0.000 0.815) 14.317 7.225 ( 20.072 0.000 6.249) 21.022 7.550 ( 16.299 0.000 4.543) 16.920 8.252 ( -10.415 0.000 -11.785) 15.728 8.337 ( 7.773 0.000 -2.276) 8.099 8.526 ( 1.286 0.000 4.722) 4.894 8.762 ( -11.651 0.000 9.784) 15.214 8.851 ( 12.363 0.000 15.820) 20.078 8.959 ( 12.781 0.000 10.095) 16.287 9.407 ( 1.260 0.000 0.052) 1.261 9.556 ( -9.460 0.000 5.091) 10.743 9.952 ( 10.419 0.000 -13.917) 17.385 10.234 ( -5.253 0.000 -3.934) 6.562 11.339 ( -3.423 0.000 -15.817) 16.183 11.591 ( -12.108 0.000 -11.219) 16.507 12.341 ( -3.574 0.000 16.442) 16.826 12.533 ( -2.248 0.000 14.070) 14.248 12.923 ( -0.407 0.000 5.931) 5.945 13.022 ( -3.321 0.000 1.077) 3.491 15.508 ( 3.332 0.000 3.772) 5.033 15.655 ( -0.533 0.000 -4.541) 4.572 15.929 ( -2.371 0.000 -1.925) 3.054 16.129 ( 2.661 0.000 -5.715) 6.305 16.903 ( 19.612 0.000 20.479) 28.355 17.081 ( -17.979 0.000 -18.987) 26.149 17.420 ( -16.029 0.000 -18.370) 24.380 17.922 ( 1.969 0.000 1.788) 2.660 21.808 ( 12.198 0.000 12.898) 17.752 22.767 ( 10.513 0.000 11.152) 15.327 23.065 ( -10.697 0.000 -10.566) 15.036 24.051 ( -6.821 0.000 -6.656) 9.530 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 13.348 0.000 3.884) 13.902 2.017 ( 19.274 0.000 8.231) 20.958 2.566 ( 1.516 0.000 -3.054) 3.409 2.687 ( -8.480 0.000 -5.126) 9.909 2.757 ( -8.743 0.000 -4.620) 9.888 2.803 ( -7.534 0.000 1.586) 7.700 2.981 ( -8.734 0.000 3.800) 9.525 3.108 ( -10.411 0.000 -2.662) 10.746 3.130 ( 1.382 0.000 -2.224) 2.619 3.247 ( 8.458 0.000 -4.117) 9.407 3.403 ( 1.763 0.000 2.664) 3.195 3.546 ( 11.723 0.000 8.848) 14.687 3.615 ( 13.299 0.000 -13.762) 19.138 3.741 ( -3.213 0.000 -3.997) 5.128 3.795 ( -2.681 0.000 -7.934) 8.374 3.834 ( 14.190 0.000 0.252) 14.192 4.714 ( 4.701 0.000 3.333) 5.762 4.720 ( -19.623 0.000 -9.928) 21.992 4.917 ( 9.212 0.000 -7.234) 11.713 5.023 ( 9.705 0.000 4.824) 10.838 5.184 ( 8.847 0.000 -10.740) 13.915 5.206 ( -5.647 0.000 0.215) 5.651 5.345 ( 9.097 0.000 5.977) 10.885 5.487 ( -2.090 0.000 3.082) 3.724 6.162 ( -2.578 0.000 -5.468) 6.045 6.289 ( -6.233 0.000 -12.168) 13.672 6.777 ( 12.895 0.000 11.817) 17.491 6.813 ( 13.094 0.000 -6.532) 14.633 7.109 ( 5.888 0.000 23.148) 23.886 7.338 ( 13.934 0.000 -2.369) 14.134 7.534 ( 11.533 0.000 9.172) 14.735 7.789 ( 5.281 0.000 12.773) 13.821 8.006 ( -13.396 0.000 -9.900) 16.657 8.295 ( -4.123 0.000 -7.915) 8.925 8.548 ( -7.612 0.000 14.379) 16.270 8.801 ( 20.088 0.000 2.290) 20.218 8.947 ( 3.763 0.000 21.485) 21.812 9.224 ( 1.188 0.000 6.735) 6.839 9.284 ( -16.699 0.000 11.570) 20.316 9.653 ( 29.119 0.000 -3.804) 29.366 9.933 ( -12.428 0.000 -9.326) 15.537 10.372 ( 17.286 0.000 -13.780) 22.106 11.227 ( -8.363 0.000 -18.684) 20.470 11.291 ( -19.168 0.000 -10.079) 21.656 12.343 ( 3.169 0.000 14.590) 14.930 12.515 ( -0.314 0.000 13.179) 13.183 12.909 ( -1.030 0.000 6.078) 6.165 12.952 ( -3.662 0.000 2.643) 4.517 15.581 ( 4.026 0.000 1.925) 4.462 15.698 ( 4.157 0.000 -12.791) 13.450 15.893 ( -0.231 0.000 -4.359) 4.365 16.222 ( 7.284 0.000 -15.930) 17.516 16.709 ( -20.119 0.000 -24.078) 31.378 17.075 ( -19.040 0.000 -23.708) 30.407 17.277 ( 18.492 0.000 16.004) 24.456 17.917 ( -2.710 0.000 4.111) 4.924 22.039 ( 12.108 0.000 9.253) 15.239 22.827 ( -13.668 0.000 -7.536) 15.608 23.013 ( 14.682 0.000 8.788) 17.111 23.878 ( -11.202 0.000 -4.114) 11.933 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 16.185 0.000 -2.721) 16.412 2.375 ( 17.437 0.000 2.533) 17.621 2.426 ( -15.869 0.000 -5.580) 16.822 2.608 ( 2.924 0.000 -5.695) 6.402 2.660 ( -10.560 0.000 -2.623) 10.881 2.673 ( -3.336 0.000 -6.336) 7.160 2.829 ( -2.644 0.000 6.146) 6.691 2.905 ( -8.614 0.000 0.526) 8.630 3.207 ( 6.667 0.000 3.841) 7.695 3.350 ( -6.553 0.000 5.557) 8.592 3.449 ( 10.513 0.000 -4.093) 11.282 3.617 ( 2.159 0.000 -6.829) 7.163 3.629 ( -7.817 0.000 -3.927) 8.748 3.682 ( -4.934 0.000 -9.049) 10.307 3.922 ( 18.142 0.000 -19.997) 27.000 4.301 ( 23.776 0.000 4.680) 24.232 4.306 ( -21.431 0.000 -20.711) 29.803 4.664 ( -12.279 0.000 2.300) 12.493 5.038 ( 5.042 0.000 -5.211) 7.251 5.102 ( 0.036 0.000 -1.961) 1.962 5.258 ( 7.975 0.000 6.053) 10.012 5.364 ( 7.755 0.000 -1.789) 7.958 5.405 ( -6.353 0.000 2.538) 6.841 5.442 ( 0.298 0.000 1.153) 1.191 6.136 ( 0.258 0.000 -7.124) 7.129 6.180 ( -4.347 0.000 -9.344) 10.306 7.019 ( 11.364 0.000 14.062) 18.080 7.126 ( 18.030 0.000 -5.610) 18.883 7.161 ( -2.035 0.000 20.506) 20.607 7.426 ( -9.093 0.000 -3.630) 9.791 7.681 ( 4.800 0.000 7.162) 8.622 7.788 ( -8.145 0.000 -2.995) 8.678 7.868 ( 10.113 0.000 5.881) 11.698 8.125 ( -13.554 0.000 0.120) 13.555 8.628 ( 13.581 0.000 16.313) 21.226 8.940 ( -17.295 0.000 16.529) 23.924 9.038 ( 5.743 0.000 17.287) 18.216 9.155 ( -5.792 0.000 12.233) 13.535 9.222 ( 21.645 0.000 -3.910) 21.996 9.622 ( -19.015 0.000 -5.353) 19.754 10.279 ( 32.378 0.000 -6.858) 33.096 10.716 ( 17.260 0.000 -18.148) 25.045 10.851 ( -26.453 0.000 -8.689) 27.843 11.016 ( -13.481 0.000 -19.395) 23.620 12.428 ( 4.712 0.000 12.327) 13.197 12.497 ( -2.081 0.000 12.275) 12.450 12.889 ( -0.688 0.000 5.853) 5.894 12.897 ( -1.732 0.000 4.564) 4.881 15.659 ( 3.962 0.000 -0.437) 3.986 15.724 ( -2.138 0.000 -4.501) 4.983 16.010 ( 12.782 0.000 -19.606) 23.405 16.326 ( -18.928 0.000 -25.405) 31.681 16.417 ( 12.942 0.000 -23.130) 26.505 16.715 ( -17.614 0.000 -25.849) 31.280 17.595 ( 14.101 0.000 10.968) 17.864 17.812 ( -8.334 0.000 6.981) 10.871 22.284 ( 13.399 0.000 3.174) 13.770 22.553 ( -14.394 0.000 -2.901) 14.683 23.317 ( 16.374 0.000 4.633) 17.016 23.623 ( -14.933 0.000 -0.140) 14.934 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 10.074 21.900) 24.106 1.421 ( 0.000 12.901 23.540) 26.844 2.408 ( 0.000 19.989 23.285) 30.688 2.627 ( 0.000 -9.240 0.063) 9.241 2.755 ( 0.000 6.375 12.489) 14.022 2.933 ( 0.000 -9.411 14.103) 16.955 2.937 ( 0.000 -3.274 -3.637) 4.894 3.016 ( 0.000 -1.609 -13.884) 13.977 3.071 ( 0.000 5.207 -9.687) 10.997 3.226 ( 0.000 -9.619 2.566) 9.956 3.403 ( 0.000 6.679 8.393) 10.726 3.640 ( 0.000 19.448 -3.037) 19.683 3.672 ( 0.000 0.563 -7.395) 7.417 3.692 ( 0.000 1.175 0.342) 1.224 3.709 ( 0.000 -4.264 -8.078) 9.134 4.091 ( 0.000 -3.293 7.110) 7.836 4.160 ( 0.000 10.311 -1.426) 10.409 4.528 ( 0.000 7.532 10.817) 13.181 4.618 ( 0.000 8.726 11.341) 14.309 4.709 ( 0.000 0.638 -9.762) 9.783 4.860 ( 0.000 -6.044 14.130) 15.368 5.297 ( 0.000 -4.548 7.523) 8.791 5.448 ( 0.000 -4.929 -4.449) 6.640 6.108 ( 0.000 13.351 -2.648) 13.612 6.291 ( 0.000 -1.712 5.545) 5.803 6.319 ( 0.000 -8.981 4.692) 10.133 6.405 ( 0.000 2.358 -8.468) 8.791 6.536 ( 0.000 1.109 -1.431) 1.810 6.633 ( 0.000 2.590 -17.234) 17.427 6.761 ( 0.000 -4.280 -8.180) 9.232 6.978 ( 0.000 4.730 13.925) 14.707 7.260 ( 0.000 9.396 18.688) 20.917 7.827 ( 0.000 -3.723 7.983) 8.808 8.143 ( 0.000 -20.305 -8.641) 22.067 8.329 ( 0.000 -3.229 0.789) 3.324 8.723 ( 0.000 -1.988 19.186) 19.288 8.826 ( 0.000 -4.650 12.559) 13.392 9.227 ( 0.000 -8.380 8.630) 12.029 9.320 ( 0.000 -8.725 -16.916) 19.034 9.360 ( 0.000 13.052 5.197) 14.049 10.066 ( 0.000 10.565 2.478) 10.851 10.614 ( 0.000 18.584 -9.481) 20.863 11.318 ( 0.000 -5.356 -10.535) 11.818 11.789 ( 0.000 -2.884 -12.602) 12.928 12.469 ( 0.000 0.442 8.360) 8.371 12.737 ( 0.000 -5.009 13.030) 13.960 12.887 ( 0.000 -3.257 7.508) 8.184 13.035 ( 0.000 -5.210 0.279) 5.217 15.662 ( 0.000 20.508 4.893) 21.084 15.816 ( 0.000 3.139 12.396) 12.787 16.093 ( 0.000 -1.793 13.024) 13.147 16.161 ( 0.000 12.812 -2.692) 13.092 16.402 ( 0.000 1.689 20.204) 20.274 17.560 ( 0.000 1.392 -10.402) 10.495 17.672 ( 0.000 -9.436 -1.380) 9.536 17.741 ( 0.000 -1.310 -10.586) 10.667 21.411 ( 0.000 0.668 14.272) 14.287 22.455 ( 0.000 -10.157 11.092) 15.040 23.305 ( 0.000 2.219 -12.753) 12.944 24.072 ( 0.000 -9.333 -8.702) 12.760 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 10.556 9.973 19.028) 23.937 1.549 ( 10.476 12.316 18.968) 24.924 2.555 ( 11.575 9.829 9.286) 17.800 2.657 ( 3.046 -4.788 5.194) 7.693 2.726 ( -0.476 3.304 7.153) 7.894 2.861 ( -3.627 -4.334 8.708) 10.381 2.937 ( -1.323 -5.335 -2.764) 6.153 3.038 ( -0.145 -0.805 -14.153) 14.176 3.146 ( 6.249 5.135 0.655) 8.115 3.220 ( 0.967 -7.115 3.080) 7.813 3.421 ( 0.490 7.165 10.492) 12.714 3.535 ( -7.855 -3.018 -4.218) 9.413 3.619 ( -4.661 7.461 -4.202) 9.749 3.711 ( 1.913 10.340 -7.476) 12.902 3.768 ( 2.953 2.550 -3.027) 4.938 3.989 ( -5.815 0.866 0.318) 5.888 4.292 ( 8.831 0.717 3.358) 9.475 4.604 ( 6.926 6.502 8.678) 12.867 4.699 ( 6.648 5.278 1.085) 8.558 4.733 ( 4.830 2.407 -0.267) 5.403 4.910 ( 6.289 -3.164 13.078) 14.852 5.322 ( 1.719 -4.950 5.190) 7.375 5.452 ( 0.580 -3.032 -1.974) 3.664 5.846 ( -20.313 9.275 -9.946) 24.445 6.300 ( -1.691 1.421 5.654) 6.070 6.349 ( 3.083 -2.464 2.276) 4.556 6.514 ( 4.562 -6.401 -4.744) 9.181 6.582 ( 7.491 5.811 -3.054) 9.961 6.652 ( -0.888 -5.771 -10.531) 12.042 6.924 ( 20.166 5.409 0.637) 20.888 7.081 ( 5.400 11.497 19.715) 23.452 7.310 ( 8.716 4.054 2.252) 9.873 7.977 ( 9.496 -10.478 1.443) 14.214 8.098 ( -0.589 -18.300 -4.379) 18.826 8.405 ( 8.484 -1.302 1.305) 8.682 8.681 ( -3.958 -3.030 19.861) 20.477 8.857 ( 2.438 -3.617 14.073) 14.733 9.176 ( -8.575 4.505 -1.424) 9.791 9.232 ( 0.140 -9.594 9.008) 13.161 9.525 ( 10.890 1.443 -12.259) 16.460 9.992 ( -7.106 9.384 2.248) 11.984 10.580 ( -3.562 18.816 -8.616) 20.999 11.304 ( -1.752 -6.347 -11.645) 13.378 11.742 ( -4.924 -2.254 -12.704) 13.810 12.450 ( -2.263 1.609 9.792) 10.178 12.629 ( -8.018 -1.441 16.237) 18.166 12.889 ( 0.088 -3.360 6.979) 7.746 13.019 ( -1.647 -5.068 0.583) 5.360 15.673 ( 1.045 19.342 4.916) 19.985 15.759 ( -3.952 4.466 6.495) 8.818 16.070 ( -1.952 -0.036 7.748) 7.990 16.154 ( -0.266 11.619 -3.524) 12.145 16.563 ( 14.486 0.676 21.125) 25.623 17.387 ( -13.184 -0.409 -12.571) 18.221 17.653 ( -8.932 -1.231 -12.934) 15.767 17.769 ( 5.147 -7.630 -0.701) 9.230 21.533 ( 10.932 -1.213 14.238) 17.992 22.505 ( 5.130 -10.317 11.192) 16.063 23.250 ( -5.706 2.362 -12.178) 13.654 24.042 ( -3.218 -9.516 -8.313) 13.038 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 12.111 9.941 12.749) 20.200 1.760 ( 12.381 9.348 12.102) 19.675 2.537 ( -3.859 -2.968 -3.390) 5.933 2.698 ( -3.183 -7.747 -3.019) 8.903 2.825 ( -2.084 -4.535 -2.893) 5.769 2.891 ( 0.328 -6.370 -1.602) 6.577 2.971 ( 1.361 1.025 -3.145) 3.577 2.989 ( 6.044 -0.650 2.937) 6.751 3.176 ( -4.523 3.586 4.665) 7.422 3.308 ( 5.162 0.303 6.704) 8.466 3.430 ( 4.181 2.515 -0.004) 4.879 3.452 ( 4.607 4.858 5.794) 8.854 3.535 ( -2.988 3.956 -4.343) 6.591 3.740 ( -1.459 16.834 0.499) 16.904 3.817 ( 3.640 -0.579 -13.226) 13.730 3.879 ( -5.073 1.352 -3.238) 6.169 4.466 ( 8.830 -2.612 3.605) 9.889 4.769 ( 9.568 4.525 2.235) 10.817 4.834 ( 8.997 1.934 -1.434) 9.314 4.923 ( 10.601 2.250 6.769) 12.777 5.103 ( 12.433 0.315 9.749) 15.803 5.327 ( -0.982 0.099 0.554) 1.132 5.429 ( -19.275 8.621 -15.263) 26.054 5.481 ( 0.326 0.369 1.618) 1.691 6.246 ( -3.614 2.128 -0.749) 4.260 6.336 ( -3.958 -3.145 -8.318) 9.734 6.602 ( 2.116 -1.424 -2.655) 3.682 6.679 ( 9.250 -8.925 5.543) 13.998 6.819 ( 13.311 4.576 4.111) 14.663 7.150 ( 4.505 8.058 19.288) 21.384 7.367 ( 21.846 8.576 -0.328) 23.471 7.574 ( 14.378 1.845 2.905) 14.784 7.883 ( -8.829 -21.676 -8.025) 24.743 8.367 ( 16.535 -0.578 -1.114) 16.582 8.577 ( -1.970 -0.098 14.433) 14.568 8.649 ( 9.106 -7.634 10.307) 15.730 8.910 ( 2.840 -2.764 11.023) 11.714 9.045 ( -0.593 5.378 3.725) 6.569 9.240 ( 2.206 -9.038 8.735) 12.761 9.649 ( -6.361 10.374 -7.544) 14.318 9.924 ( 8.225 -2.852 -9.408) 12.817 10.475 ( -7.226 18.727 -6.175) 21.001 11.236 ( -5.793 -8.925 -13.898) 17.503 11.596 ( -10.402 -0.700 -13.153) 16.784 12.388 ( -2.646 4.402 14.352) 15.244 12.533 ( -1.824 0.377 14.320) 14.441 12.887 ( -0.339 -3.327 6.737) 7.522 12.974 ( -2.953 -4.577 1.621) 5.683 15.691 ( 1.155 8.217 -1.196) 8.384 15.732 ( 1.510 15.493 0.526) 15.576 16.035 ( -1.640 4.275 0.276) 4.587 16.163 ( 1.599 7.900 -7.155) 10.778 16.891 ( 18.450 -1.263 19.318) 26.743 17.088 ( -17.502 0.563 -18.438) 25.429 17.409 ( -15.879 -1.032 -18.195) 24.172 17.837 ( 1.744 -8.330 1.536) 8.648 21.770 ( 12.842 -2.164 13.534) 18.782 22.653 ( 10.253 -10.688 10.784) 18.320 23.091 ( -10.531 2.676 -10.434) 15.064 23.944 ( -7.096 -9.963 -6.994) 14.090 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 10.829 8.883 4.388) 14.678 2.029 ( 13.803 2.144 6.204) 15.284 2.511 ( 0.207 -7.428 -5.993) 9.547 2.640 ( -3.104 -5.446 -5.154) 8.115 2.698 ( -8.377 1.736 -2.060) 8.800 2.786 ( -7.168 -1.963 -0.841) 7.479 2.969 ( -2.739 -5.583 0.338) 6.227 2.975 ( -2.092 -0.984 -0.536) 2.373 3.096 ( -6.430 -0.640 -1.279) 6.588 3.354 ( 0.978 -3.979 0.253) 4.105 3.444 ( -5.108 -12.419 -0.478) 13.437 3.541 ( 4.394 -4.241 -6.938) 9.243 3.697 ( 5.450 16.573 -1.189) 17.487 3.748 ( 2.935 15.904 3.340) 16.514 3.863 ( 4.441 4.519 -12.073) 13.635 3.961 ( 19.383 9.036 -3.373) 21.650 4.577 ( -1.793 -1.523 -3.193) 3.966 4.870 ( -2.920 0.615 -3.672) 4.731 4.981 ( 8.146 4.033 -2.123) 9.334 5.097 ( 8.333 -1.308 4.838) 9.724 5.118 ( -8.584 8.950 -7.719) 14.607 5.332 ( 6.652 6.627 0.268) 9.393 5.377 ( 8.557 4.695 3.637) 10.416 5.502 ( 0.651 0.950 4.352) 4.502 6.166 ( -4.110 1.035 -5.760) 7.151 6.238 ( -5.751 -4.427 -10.904) 13.099 6.666 ( 5.795 -3.485 2.435) 7.187 6.893 ( 10.161 -14.302 12.808) 21.722 7.079 ( 13.194 9.342 4.995) 16.921 7.264 ( 6.930 0.133 14.783) 16.327 7.603 ( -6.922 -13.152 0.318) 14.866 7.719 ( 10.185 4.154 3.307) 11.486 7.891 ( 8.051 2.363 6.240) 10.456 8.456 ( 0.470 3.193 6.415) 7.181 8.578 ( -8.881 2.205 7.488) 11.824 8.775 ( 10.544 -1.035 7.003) 12.700 8.986 ( 6.603 -4.888 5.153) 9.697 9.125 ( 4.265 1.023 13.374) 14.075 9.372 ( -16.326 9.884 0.174) 19.086 9.552 ( 28.035 -5.002 -3.359) 28.675 10.139 ( 2.242 7.458 -15.983) 17.779 10.371 ( 4.323 4.950 -6.819) 9.470 11.063 ( -12.665 -11.658 -14.372) 22.424 11.340 ( -15.839 0.403 -14.112) 21.217 12.389 ( 2.473 4.247 13.580) 14.441 12.523 ( 0.036 1.020 12.925) 12.965 12.875 ( -0.912 -3.167 6.673) 7.443 12.912 ( -3.193 -3.778 3.241) 5.914 15.763 ( 6.472 5.381 -13.434) 15.853 15.781 ( 3.118 18.093 0.823) 18.378 16.005 ( -1.198 9.025 -2.464) 9.432 16.236 ( 6.425 3.284 -15.076) 16.714 16.725 ( -19.736 1.439 -23.633) 30.824 17.066 ( -18.738 -0.736 -23.278) 29.892 17.242 ( 17.088 -3.535 14.743) 22.844 17.831 ( -2.516 -8.498 3.712) 9.609 22.021 ( 13.363 -0.822 9.695) 16.530 22.851 ( -11.899 1.786 -6.237) 13.553 22.898 ( 12.682 -9.982 7.479) 17.788 23.765 ( -11.467 -10.480 -4.393) 16.144 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 12.491 3.175 -1.792) 13.012 2.260 ( 8.774 -4.589 -0.476) 9.913 2.418 ( -8.450 -2.249 -6.198) 10.718 2.495 ( -9.798 -4.795 -5.605) 12.264 2.687 ( 5.723 1.476 -1.242) 6.039 2.738 ( 0.836 1.462 -2.248) 2.809 2.869 ( -4.236 -0.919 3.118) 5.339 2.902 ( -7.648 2.155 1.838) 8.155 3.061 ( 4.933 -7.425 1.281) 9.006 3.214 ( -9.876 -10.804 3.739) 15.107 3.474 ( 3.980 -8.551 -4.269) 10.353 3.547 ( -2.997 -5.968 -4.591) 8.104 3.763 ( 3.532 17.834 -5.894) 19.112 3.817 ( -0.300 9.074 -8.467) 12.414 3.991 ( 13.650 5.187 -18.602) 23.649 4.317 ( -16.635 1.492 -18.237) 24.729 4.438 ( 21.502 12.438 1.234) 24.871 4.797 ( -12.338 10.970 -2.439) 16.689 5.016 ( 3.309 -2.061 -1.658) 4.236 5.081 ( -0.253 -0.493 -0.876) 1.037 5.263 ( 8.106 1.110 4.317) 9.251 5.382 ( -2.968 1.617 -0.417) 3.406 5.512 ( 4.515 8.733 3.040) 10.291 5.537 ( 2.126 8.007 5.265) 9.815 6.110 ( -1.051 -1.925 -6.865) 7.207 6.139 ( -3.801 -3.786 -9.627) 11.021 6.820 ( 9.402 -9.838 4.288) 14.268 6.969 ( -3.559 -15.123 8.450) 17.685 7.312 ( 9.185 5.796 9.326) 14.316 7.372 ( 2.323 -3.256 9.707) 10.499 7.530 ( 3.671 -10.000 11.134) 15.409 7.707 ( -9.520 -3.521 16.204) 19.120 8.087 ( 11.997 13.517 -2.255) 18.214 8.332 ( -13.005 11.914 -2.837) 17.864 8.631 ( 14.919 2.456 9.475) 17.844 8.889 ( 1.366 -8.640 16.174) 18.388 8.979 ( -7.923 -4.369 5.823) 10.760 9.009 ( -11.790 2.937 9.562) 15.462 9.461 ( 21.745 15.499 -1.997) 26.778 9.841 ( -13.895 13.955 -6.288) 20.672 10.227 ( 26.241 -3.666 -6.282) 27.230 10.657 ( 18.235 -5.711 -17.275) 25.759 10.727 ( -22.362 -10.612 -10.573) 26.916 11.008 ( -17.975 -1.977 -16.914) 24.760 12.457 ( 3.858 2.829 11.914) 12.839 12.513 ( -1.562 1.635 11.954) 12.166 12.858 ( -0.624 -2.974 6.316) 7.009 12.864 ( -1.489 -3.076 5.132) 6.166 15.842 ( 3.007 16.749 -0.912) 17.041 15.875 ( 1.369 12.495 -7.833) 14.811 16.055 ( 9.980 4.907 -15.745) 19.276 16.350 ( -18.404 2.196 -24.789) 30.952 16.418 ( 12.480 0.848 -22.452) 25.701 16.710 ( -17.379 -0.162 -25.381) 30.761 17.536 ( 12.956 -5.915 10.058) 17.436 17.734 ( -7.612 -7.679 6.356) 12.542 22.289 ( 14.444 1.030 3.504) 14.899 22.574 ( -14.928 2.331 -2.650) 15.339 23.198 ( 16.382 -11.080 4.462) 20.274 23.506 ( -15.101 -10.893 -0.360) 18.624 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.000 17.027 11.176) 20.367 1.750 ( 0.000 17.590 16.530) 24.138 2.386 ( 0.000 -13.717 1.631) 13.814 2.473 ( 0.000 -11.930 8.052) 14.393 2.858 ( 0.000 2.052 -1.238) 2.397 2.883 ( 0.000 -1.681 -7.907) 8.083 3.007 ( 0.000 0.481 -13.258) 13.267 3.024 ( 0.000 4.795 2.423) 5.372 3.142 ( 0.000 8.471 7.413) 11.257 3.215 ( 0.000 8.246 -10.050) 13.000 3.490 ( 0.000 -0.128 -7.867) 7.868 3.552 ( 0.000 -8.919 -3.498) 9.581 3.699 ( 0.000 4.368 3.751) 5.757 3.734 ( 0.000 10.627 10.750) 15.116 3.943 ( 0.000 -3.366 5.636) 6.565 4.160 ( 0.000 14.066 -0.289) 14.069 4.335 ( 0.000 5.089 -1.487) 5.302 4.603 ( 0.000 -15.261 19.404) 24.686 4.773 ( 0.000 14.372 6.598) 15.815 4.788 ( 0.000 7.192 0.340) 7.200 4.947 ( 0.000 20.970 8.978) 22.811 5.173 ( 0.000 -7.069 12.213) 14.112 5.308 ( 0.000 -8.852 -1.918) 9.058 6.013 ( 0.000 -19.397 4.699) 19.958 6.299 ( 0.000 3.093 -2.558) 4.013 6.339 ( 0.000 5.928 -3.178) 6.727 6.415 ( 0.000 -0.365 -14.136) 14.141 6.574 ( 0.000 -7.427 -22.171) 23.382 6.662 ( 0.000 9.595 3.098) 10.083 6.761 ( 0.000 3.967 -0.198) 3.972 7.016 ( 0.000 0.879 2.501) 2.651 7.535 ( 0.000 14.298 26.785) 30.363 7.577 ( 0.000 -25.168 -7.022) 26.130 7.812 ( 0.000 -1.580 10.284) 10.405 8.418 ( 0.000 7.162 2.222) 7.499 8.657 ( 0.000 -2.978 15.215) 15.504 8.663 ( 0.000 -9.159 -0.726) 9.188 9.044 ( 0.000 -14.514 -7.802) 16.478 9.195 ( 0.000 2.285 19.820) 19.951 9.446 ( 0.000 -3.411 17.396) 17.727 10.390 ( 0.000 18.911 -8.851) 20.880 10.949 ( 0.000 5.751 -13.441) 14.620 11.221 ( 0.000 2.476 -8.578) 8.928 11.688 ( 0.000 -7.431 -12.867) 14.858 12.530 ( 0.000 5.555 7.281) 9.158 12.674 ( 0.000 -0.491 14.682) 14.690 12.796 ( 0.000 -5.364 9.402) 10.825 12.891 ( 0.000 -8.372 1.817) 8.567 15.888 ( 0.000 3.797 13.168) 13.705 16.041 ( 0.000 -3.140 13.110) 13.481 16.216 ( 0.000 31.070 3.753) 31.296 16.380 ( 0.000 7.134 3.743) 8.056 16.443 ( 0.000 2.132 17.209) 17.341 17.374 ( 0.000 -19.709 -0.017) 19.709 17.600 ( 0.000 2.370 -10.408) 10.675 17.704 ( 0.000 -2.248 -10.621) 10.857 21.521 ( 0.000 10.361 10.407) 14.685 22.171 ( 0.000 -16.673 9.369) 19.125 23.387 ( 0.000 6.074 -12.298) 13.716 23.826 ( 0.000 -13.475 -9.860) 16.697 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 8.243 15.501 9.908) 20.159 1.859 ( 9.316 16.713 13.384) 23.351 2.414 ( 1.883 -13.297 0.098) 13.430 2.527 ( 5.125 -12.161 5.744) 14.393 2.795 ( -7.256 5.484 -2.086) 9.331 2.875 ( -1.182 -1.146 -7.587) 7.763 3.002 ( -1.617 -2.717 -10.116) 10.599 3.007 ( -0.278 3.194 -0.539) 3.251 3.128 ( 2.037 2.866 -1.040) 3.667 3.333 ( 2.406 6.466 -0.769) 6.942 3.382 ( -0.148 -4.576 -11.742) 12.603 3.601 ( -3.253 3.893 13.305) 14.239 3.671 ( 1.351 4.697 -6.502) 8.134 3.724 ( 0.013 6.392 6.600) 9.188 3.886 ( -5.743 -4.546 4.740) 8.724 4.229 ( 5.736 17.075 0.832) 18.032 4.348 ( 3.315 1.769 0.894) 3.862 4.681 ( 7.193 -9.923 10.280) 15.996 4.789 ( 1.473 10.858 3.792) 11.595 4.836 ( 4.649 8.035 6.479) 11.321 4.965 ( 2.352 10.253 6.404) 12.315 5.199 ( 4.486 -6.260 10.108) 12.708 5.387 ( 6.327 -1.337 1.443) 6.626 5.977 ( -7.951 -3.611 -5.563) 10.354 6.190 ( -2.401 -4.343 4.416) 6.643 6.337 ( -1.427 1.819 -3.642) 4.314 6.434 ( -1.232 -2.171 -11.510) 11.778 6.505 ( -2.121 -7.047 -14.578) 16.330 6.764 ( 9.716 9.413 4.687) 14.317 7.031 ( 23.194 3.934 -2.562) 23.665 7.234 ( 16.598 2.570 2.842) 17.034 7.472 ( -3.816 -2.069 6.863) 8.120 7.587 ( 0.715 -5.261 7.114) 8.876 7.932 ( 12.857 -4.606 10.254) 17.078 8.441 ( 2.056 3.259 7.198) 8.165 8.613 ( -2.283 -1.589 8.441) 8.888 8.695 ( 1.465 -9.651 2.936) 10.194 9.026 ( -1.970 -12.567 -2.978) 13.065 9.197 ( 0.448 3.546 21.761) 22.052 9.502 ( 6.349 -5.593 7.375) 11.224 10.313 ( -7.794 19.690 -9.822) 23.343 10.915 ( -3.626 5.198 -13.532) 14.942 11.185 ( -3.890 1.845 -8.594) 9.612 11.650 ( -4.002 -7.222 -13.144) 15.522 12.529 ( -0.261 5.977 7.561) 9.641 12.623 ( -4.199 1.491 15.474) 16.103 12.796 ( 0.000 -5.427 9.164) 10.651 12.878 ( -1.246 -8.231 2.140) 8.595 15.838 ( -3.542 4.662 7.604) 9.597 16.020 ( -1.543 -3.554 7.859) 8.762 16.227 ( 1.001 30.810 3.112) 30.983 16.407 ( 2.404 10.052 2.933) 10.744 16.573 ( 11.876 0.068 17.845) 21.436 17.298 ( -7.902 -12.048 -5.883) 15.563 17.599 ( -0.075 -5.379 -6.263) 8.256 17.619 ( -8.703 -2.013 -12.650) 15.486 21.598 ( 7.647 8.401 11.831) 16.402 22.217 ( 4.832 -16.746 9.917) 20.053 23.336 ( -5.265 6.371 -11.744) 14.361 23.790 ( -3.764 -13.824 -9.407) 17.140 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 10.818 11.884 6.637) 17.387 2.037 ( 8.397 15.992 8.622) 20.015 2.423 ( -1.198 -8.723 -3.598) 9.512 2.602 ( -4.075 -4.418 3.399) 6.905 2.680 ( 3.732 -4.897 -4.557) 7.660 2.828 ( -3.739 -0.012 -5.360) 6.535 2.923 ( -7.505 -5.895 -2.597) 9.890 2.988 ( -1.930 -2.900 -6.045) 6.977 3.141 ( -3.276 -2.211 -5.551) 6.814 3.275 ( -0.691 -4.580 -4.959) 6.786 3.428 ( -7.606 1.198 3.668) 8.529 3.503 ( -2.259 1.172 1.603) 3.008 3.754 ( 3.848 -0.796 -7.531) 8.495 3.791 ( 2.377 -3.244 -9.599) 10.408 3.843 ( 13.667 21.623 15.315) 29.814 4.309 ( 0.893 22.608 2.429) 22.756 4.479 ( 9.614 1.286 1.120) 9.764 4.844 ( 6.729 1.072 -0.275) 6.819 4.861 ( 4.128 -1.240 1.711) 4.638 4.884 ( 3.534 -4.971 6.947) 9.244 5.095 ( 11.023 2.203 5.686) 12.598 5.338 ( 8.388 -3.036 9.511) 13.040 5.516 ( 6.970 10.630 2.674) 12.989 5.717 ( -14.864 15.233 -12.208) 24.536 6.212 ( -1.945 -8.750 -2.611) 9.336 6.321 ( -1.315 2.274 -0.182) 2.633 6.365 ( 1.265 -14.659 -4.707) 15.448 6.539 ( 2.909 -4.720 -4.743) 7.296 6.981 ( 11.866 6.525 7.703) 15.579 7.345 ( -2.133 0.120 14.732) 14.886 7.409 ( 3.569 -5.871 5.634) 8.886 7.521 ( 12.345 2.564 4.055) 13.245 7.768 ( 19.221 11.656 -3.379) 22.731 8.305 ( 21.905 -7.739 4.080) 23.587 8.468 ( 2.025 -3.434 15.735) 16.232 8.620 ( 4.028 1.846 4.379) 6.230 8.721 ( 1.294 -11.270 1.601) 11.457 8.983 ( -0.821 -9.484 5.663) 11.077 9.242 ( 5.772 7.544 17.053) 19.520 9.702 ( 14.155 -9.351 -7.432) 18.521 10.100 ( -13.981 21.217 -12.092) 28.140 10.803 ( -8.235 3.722 -13.621) 16.346 11.064 ( -8.862 0.336 -8.642) 12.383 11.523 ( -9.533 -6.935 -13.376) 17.830 12.510 ( -1.461 7.134 10.329) 12.638 12.568 ( -0.828 3.287 13.347) 13.770 12.794 ( -0.281 -5.525 8.741) 10.345 12.846 ( -1.959 -7.491 3.250) 8.397 15.802 ( 0.503 5.472 -3.292) 6.406 16.010 ( 0.942 -3.708 -2.157) 4.392 16.250 ( 1.239 29.467 1.979) 29.559 16.454 ( 2.198 15.317 0.479) 15.481 16.842 ( 14.868 -3.929 15.637) 21.932 17.077 ( -14.623 -3.248 -15.053) 21.236 17.383 ( -15.129 -1.124 -17.356) 23.052 17.594 ( -0.584 -13.976 -1.177) 14.038 21.794 ( 12.208 5.816 12.762) 18.594 22.359 ( 9.928 -16.850 10.303) 22.105 23.188 ( -9.998 7.065 -10.019) 15.819 23.679 ( -7.897 -14.670 -7.936) 18.454 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 8.100 8.783 2.709) 12.251 2.175 ( 5.881 12.988 3.625) 14.711 2.391 ( -0.428 -2.929 -5.073) 5.874 2.533 ( -2.860 -4.882 -2.705) 6.272 2.700 ( -6.127 -2.817 1.051) 6.825 2.755 ( -1.775 -0.181 -2.690) 3.228 2.832 ( 0.111 -7.629 -0.784) 7.670 2.945 ( -1.571 -1.688 -3.897) 4.529 3.054 ( -2.759 -7.926 -4.457) 9.503 3.171 ( -12.437 -8.260 1.377) 14.994 3.289 ( -3.626 0.149 0.654) 3.688 3.457 ( -2.413 -4.361 -1.768) 5.288 3.851 ( 5.658 3.126 -12.166) 13.776 3.878 ( 7.747 0.156 -18.312) 19.884 4.182 ( 6.602 17.351 3.536) 18.898 4.313 ( 9.772 20.447 1.583) 22.717 4.631 ( -1.046 5.405 -4.997) 7.435 4.786 ( 2.436 -7.341 2.911) 8.264 4.998 ( 7.180 -2.732 -4.446) 8.876 5.071 ( 7.980 0.591 0.171) 8.004 5.318 ( 10.257 -1.562 4.640) 11.365 5.422 ( -2.993 9.292 1.877) 9.941 5.508 ( -3.028 5.219 -1.129) 6.139 5.668 ( 8.269 18.367 5.732) 20.942 6.106 ( -6.227 -8.912 -9.303) 14.309 6.243 ( -4.494 6.742 -5.949) 10.053 6.515 ( 9.023 -19.732 8.455) 23.286 6.591 ( 2.485 -5.220 1.413) 5.952 7.195 ( 9.718 2.295 12.079) 15.672 7.308 ( -1.286 -4.753 8.142) 9.515 7.381 ( -1.360 1.505 17.440) 17.558 7.680 ( 1.108 -6.126 19.211) 20.195 8.109 ( 12.713 12.990 -2.355) 18.328 8.486 ( 8.449 0.238 7.030) 10.994 8.590 ( -0.096 1.749 6.533) 6.764 8.706 ( -1.882 -6.868 8.690) 11.235 8.799 ( 8.421 -4.473 7.655) 12.228 9.175 ( 24.085 -6.834 -0.829) 25.050 9.487 ( 18.485 8.298 2.217) 20.383 9.789 ( -15.984 23.206 -14.964) 31.905 10.035 ( 19.295 -11.648 -13.988) 26.526 10.593 ( -13.403 1.595 -13.103) 18.812 10.838 ( -14.669 -1.572 -8.379) 16.966 11.275 ( -16.188 -6.864 -13.135) 21.947 12.505 ( 1.113 6.676 11.279) 13.154 12.569 ( 0.394 3.636 11.301) 11.878 12.785 ( -0.645 -5.443 8.135) 9.809 12.807 ( -1.922 -6.085 5.030) 8.125 15.872 ( 7.001 5.553 -14.148) 16.734 16.067 ( 5.036 -2.381 -10.714) 12.076 16.269 ( 0.430 26.250 -0.102) 26.253 16.494 ( 2.260 18.905 -2.667) 19.225 16.755 ( -18.126 0.906 -21.700) 28.289 17.058 ( -15.507 0.449 -19.234) 24.710 17.122 ( 11.411 -8.144 9.288) 16.817 17.567 ( -2.513 -16.931 1.803) 17.211 22.057 ( 14.842 5.438 9.786) 18.591 22.596 ( 14.386 -16.813 8.477) 23.696 22.957 ( -13.679 7.593 -6.903) 17.100 23.485 ( -12.204 -15.602 -5.148) 20.466 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 3.827 5.259 -1.692) 6.720 2.261 ( 1.657 3.639 -1.290) 4.201 2.407 ( 1.014 1.424 -3.127) 3.583 2.453 ( -4.227 -1.469 -2.928) 5.348 2.654 ( 2.702 -1.482 2.272) 3.828 2.732 ( -2.196 -2.901 -2.076) 4.189 2.828 ( 1.102 -1.441 0.742) 1.960 2.931 ( -9.638 -4.986 3.179) 11.308 2.954 ( 2.710 -1.792 -0.434) 3.278 3.033 ( -3.095 -1.590 0.346) 3.497 3.271 ( 3.327 -10.146 -4.420) 11.556 3.378 ( -5.765 -9.460 -4.267) 11.872 3.971 ( 6.407 6.653 -12.829) 15.808 4.055 ( 6.320 4.314 -17.329) 18.944 4.123 ( -0.465 10.029 -11.234) 15.067 4.341 ( -13.188 -0.217 -17.055) 21.560 4.757 ( 17.979 16.210 -0.989) 24.228 4.960 ( 9.779 0.361 3.100) 10.265 5.027 ( -6.673 6.013 -9.311) 12.937 5.112 ( -3.998 2.322 0.832) 4.697 5.349 ( 0.750 9.118 4.403) 10.153 5.399 ( -2.182 0.444 1.534) 2.704 5.605 ( 9.647 -2.883 6.538) 12.005 5.745 ( -2.645 6.826 5.642) 9.243 6.056 ( 2.580 0.471 -5.952) 6.504 6.150 ( -5.313 7.971 -5.193) 10.897 6.633 ( 2.438 -12.295 3.542) 13.025 6.639 ( 2.182 -13.405 5.796) 14.766 7.301 ( 1.489 -2.842 11.811) 12.239 7.316 ( 0.878 0.066 16.792) 16.815 7.428 ( 6.972 -3.330 19.910) 21.356 7.591 ( -8.378 -7.666 23.152) 25.787 8.298 ( 8.986 7.083 5.831) 12.842 8.472 ( -8.425 3.685 8.940) 12.825 8.662 ( 4.066 -8.084 9.356) 13.016 8.696 ( -0.058 -7.350 13.725) 15.569 8.994 ( 16.278 16.317 -4.424) 23.469 9.371 ( -20.383 24.166 -13.109) 34.224 9.702 ( 26.243 0.683 -10.329) 28.211 9.945 ( 14.559 1.153 -8.426) 16.861 10.270 ( -6.963 1.578 -9.794) 12.119 10.472 ( 5.494 -10.728 -14.928) 19.186 10.518 ( -5.988 -3.770 -7.126) 10.043 10.909 ( -21.373 -7.832 -13.577) 26.504 12.541 ( 2.087 5.111 10.684) 12.026 12.569 ( -0.646 3.873 10.698) 11.396 12.773 ( -0.362 -5.062 7.438) 9.005 12.778 ( -0.954 -5.036 6.723) 8.454 16.067 ( 12.579 5.854 -20.861) 25.053 16.192 ( 7.449 3.168 -12.978) 15.296 16.248 ( -3.545 17.959 -6.449) 19.408 16.408 ( -16.483 3.050 -22.324) 27.917 16.564 ( 5.670 16.847 -9.393) 20.104 16.751 ( -13.723 6.873 -19.341) 24.690 17.342 ( 9.640 -13.260 7.215) 17.911 17.489 ( -5.724 -16.283 4.220) 17.768 22.358 ( 16.166 6.483 3.972) 17.865 22.669 ( -15.792 7.452 -2.081) 17.585 22.900 ( 16.506 -16.673 4.151) 23.826 23.214 ( -15.579 -16.303 -0.900) 22.567 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.000 -8.880 5.736) 10.571 1.983 ( 0.000 8.880 5.736) 10.571 2.193 ( 0.000 -8.647 11.331) 14.254 2.193 ( 0.000 8.647 11.331) 14.254 2.865 ( 0.000 -0.038 -7.567) 7.567 2.865 ( 0.000 0.038 -7.567) 7.567 3.034 ( 0.000 -1.427 -10.237) 10.336 3.034 ( 0.000 1.427 -10.237) 10.336 3.332 ( 0.000 -7.079 -10.564) 12.716 3.332 ( 0.000 7.079 -10.564) 12.716 3.400 ( 0.000 -4.750 -5.030) 6.918 3.400 ( 0.000 4.750 -5.030) 6.918 3.824 ( 0.000 -6.595 10.679) 12.551 3.824 ( 0.000 6.595 10.679) 12.551 4.158 ( 0.000 -23.772 18.939) 30.394 4.158 ( 0.000 23.772 18.939) 30.394 4.354 ( 0.000 -2.524 -3.105) 4.002 4.354 ( 0.000 2.524 -3.105) 4.002 4.962 ( 0.000 -6.612 8.022) 10.396 4.962 ( 0.000 6.612 8.022) 10.396 5.093 ( 0.000 -10.046 5.281) 11.349 5.093 ( 0.000 10.046 5.281) 11.349 5.504 ( 0.000 -28.560 8.356) 29.757 5.504 ( 0.000 28.560 8.356) 29.757 6.402 ( 0.000 -1.000 -10.672) 10.719 6.402 ( 0.000 1.000 -10.672) 10.719 6.415 ( 0.000 -7.258 -13.354) 15.199 6.415 ( 0.000 7.258 -13.354) 15.199 6.812 ( 0.000 -1.447 3.027) 3.355 6.812 ( 0.000 1.447 3.027) 3.355 7.139 ( 0.000 -14.738 -3.402) 15.125 7.139 ( 0.000 14.738 -3.402) 15.125 7.756 ( 0.000 -6.118 19.080) 20.037 7.756 ( 0.000 6.118 19.080) 20.037 8.532 ( 0.000 -3.431 10.705) 11.241 8.532 ( 0.000 3.431 10.705) 11.241 8.740 ( 0.000 -12.568 -9.767) 15.917 8.740 ( 0.000 12.568 -9.767) 15.917 9.312 ( 0.000 -7.639 24.341) 25.511 9.312 ( 0.000 7.639 24.341) 25.511 10.764 ( 0.000 -16.199 -12.430) 20.418 10.764 ( 0.000 16.199 -12.430) 20.418 11.469 ( 0.000 -13.680 -11.231) 17.700 11.469 ( 0.000 13.680 -11.231) 17.700 12.672 ( 0.000 -7.017 8.346) 10.904 12.672 ( 0.000 7.017 8.346) 10.904 12.727 ( 0.000 -5.951 8.398) 10.293 12.727 ( 0.000 5.951 8.398) 10.293 15.968 ( 0.000 -3.883 13.198) 13.757 15.968 ( 0.000 3.883 13.198) 13.757 16.454 ( 0.000 -0.709 12.224) 12.245 16.454 ( 0.000 0.709 12.224) 12.245 16.865 ( 0.000 -29.307 1.670) 29.354 16.865 ( 0.000 29.307 1.670) 29.354 17.653 ( 0.000 -2.666 -10.485) 10.818 17.653 ( 0.000 2.666 -10.485) 10.818 21.813 ( 0.000 -17.031 8.403) 18.991 21.813 ( 0.000 17.031 8.403) 18.991 23.564 ( 0.000 -11.148 -11.280) 15.859 23.564 ( 0.000 11.148 -11.280) 15.859 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 6.758 -11.836 4.216) 14.267 2.060 ( 6.758 11.836 4.216) 14.267 2.246 ( 4.967 -11.445 9.299) 15.561 2.246 ( 4.967 11.445 9.299) 15.561 2.866 ( -0.662 -1.034 -7.122) 7.227 2.866 ( -0.662 1.034 -7.122) 7.227 2.991 ( -5.922 -2.513 -5.868) 8.708 2.991 ( -5.922 2.513 -5.868) 8.708 3.219 ( -4.116 -5.606 -12.128) 13.981 3.219 ( -4.116 5.606 -12.128) 13.981 3.513 ( 5.409 -7.788 -6.621) 11.565 3.513 ( 5.409 7.788 -6.621) 11.565 3.763 ( -5.975 -5.823 8.813) 12.135 3.763 ( -5.975 5.823 8.813) 12.135 4.137 ( 2.122 -19.772 14.346) 24.521 4.137 ( 2.122 19.772 14.346) 24.521 4.482 ( 10.219 -7.379 1.141) 12.656 4.482 ( 10.219 7.379 1.141) 12.656 4.979 ( -3.497 -7.455 2.832) 8.708 4.979 ( -3.497 7.455 2.832) 8.708 5.062 ( 3.291 -9.725 8.338) 13.226 5.062 ( 3.291 9.725 8.338) 13.226 5.617 ( 10.094 -21.899 8.574) 25.592 5.617 ( 10.094 21.899 8.574) 25.592 6.303 ( -9.400 -7.367 -11.869) 16.838 6.303 ( -9.400 7.367 -11.869) 16.838 6.410 ( 0.374 -2.432 -9.035) 9.364 6.410 ( 0.374 2.432 -9.035) 9.364 6.976 ( 10.429 -10.292 2.827) 14.923 6.976 ( 10.429 10.292 2.827) 14.923 7.261 ( 14.308 -2.811 -4.110) 15.150 7.261 ( 14.308 2.811 -4.110) 15.150 7.799 ( 5.406 -9.623 19.349) 22.276 7.799 ( 5.406 9.623 19.349) 22.276 8.511 ( -1.760 -5.073 9.389) 10.816 8.511 ( -1.760 5.073 9.389) 10.816 8.752 ( 1.051 -11.938 -5.950) 13.380 8.752 ( 1.051 11.938 -5.950) 13.380 9.337 ( 3.049 -8.808 19.255) 21.392 9.337 ( 3.049 8.808 19.255) 21.392 10.707 ( -5.806 -17.304 -13.317) 22.594 10.707 ( -5.806 17.304 -13.317) 22.594 11.432 ( -3.980 -13.750 -10.974) 18.037 11.432 ( -3.980 13.750 -10.974) 18.037 12.667 ( -0.628 -5.139 8.994) 10.377 12.667 ( -0.628 5.139 8.994) 10.377 12.713 ( -1.138 -5.451 7.972) 9.724 12.713 ( -1.138 5.451 7.972) 9.724 15.935 ( -2.375 -4.605 7.748) 9.321 15.935 ( -2.375 4.605 7.748) 9.321 16.541 ( 7.758 -3.329 11.834) 14.537 16.541 ( 7.758 3.329 11.834) 14.537 16.860 ( -0.616 -28.061 0.934) 28.083 16.860 ( -0.616 28.061 0.934) 28.083 17.579 ( -7.369 -1.480 -11.713) 13.918 17.579 ( -7.369 1.480 -11.713) 13.918 21.864 ( 5.287 -16.363 9.619) 19.704 21.864 ( 5.287 16.363 9.619) 19.704 23.520 ( -4.545 -11.545 -10.762) 16.425 23.520 ( -4.545 11.545 -10.762) 16.425 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 6.257 -12.425 1.222) 13.965 2.193 ( 6.257 12.425 1.222) 13.965 2.367 ( 7.016 -14.627 6.052) 17.315 2.367 ( 7.016 14.627 6.052) 17.315 2.761 ( -9.744 -7.911 -2.618) 12.822 2.761 ( -9.744 7.911 -2.618) 12.822 2.882 ( -3.392 -4.819 -7.233) 9.330 2.882 ( -3.392 4.819 -7.233) 9.330 3.172 ( -3.799 -4.312 -9.543) 11.140 3.172 ( -3.799 4.312 -9.543) 11.140 3.492 ( -7.265 -3.111 4.839) 9.267 3.492 ( -7.265 3.111 4.839) 9.267 3.736 ( 5.200 -0.936 -10.889) 12.103 3.736 ( 5.200 0.936 -10.889) 12.103 4.290 ( 12.589 -17.087 13.020) 24.899 4.290 ( 12.589 17.087 13.020) 24.899 4.691 ( 8.937 -11.463 2.783) 14.799 4.691 ( 8.937 11.463 2.783) 14.799 4.851 ( -5.155 -0.519 -2.812) 5.896 4.851 ( -5.155 0.519 -2.812) 5.896 5.215 ( 9.422 -7.455 6.685) 13.749 5.215 ( 9.422 7.455 6.685) 13.749 5.844 ( 12.432 -16.005 8.662) 22.040 5.844 ( 12.432 16.005 8.662) 22.040 6.081 ( -12.584 -11.235 -11.459) 20.393 6.081 ( -12.584 11.235 -11.459) 20.393 6.424 ( 0.853 -5.921 -5.593) 8.190 6.424 ( 0.853 5.921 -5.593) 8.190 7.121 ( 5.890 -8.628 6.167) 12.131 7.121 ( 5.890 8.628 6.167) 12.131 7.516 ( 5.770 -3.634 12.388) 14.141 7.516 ( 5.770 3.635 12.388) 14.141 8.064 ( 21.875 -14.249 4.348) 26.466 8.064 ( 21.875 14.249 4.348) 26.466 8.503 ( 3.018 -5.945 5.973) 8.951 8.503 ( 3.018 5.945 5.973) 8.951 8.768 ( 0.545 -9.548 4.382) 10.520 8.768 ( 0.545 9.548 4.382) 10.520 9.459 ( 10.408 -12.473 5.895) 17.282 9.459 ( 10.408 12.473 5.895) 17.282 10.542 ( -11.322 -19.882 -15.427) 27.595 10.542 ( -11.322 19.882 -15.427) 27.595 11.307 ( -9.335 -13.699 -10.219) 19.474 11.307 ( -9.335 13.699 -10.219) 19.474 12.647 ( -1.127 -1.354 9.177) 9.344 12.647 ( -1.127 1.354 9.177) 9.344 12.698 ( -0.415 -2.545 8.147) 8.546 12.698 ( -0.415 2.545 8.147) 8.546 15.914 ( 0.897 -5.289 -2.835) 6.068 15.914 ( 0.897 5.289 -2.835) 6.068 16.707 ( 8.497 -8.592 8.519) 14.785 16.707 ( 8.497 8.592 8.519) 14.785 16.828 ( -3.213 -22.016 -2.240) 22.362 16.828 ( -3.213 22.016 -2.240) 22.362 17.392 ( -11.031 -3.600 -12.926) 17.370 17.392 ( -11.031 3.600 -12.926) 17.370 22.017 ( 10.501 -15.051 10.873) 21.332 22.017 ( 10.501 15.051 10.873) 21.332 23.390 ( -9.015 -12.503 -9.120) 17.910 23.390 ( -9.015 12.503 -9.120) 17.910 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 3.765 -6.008 -1.564) 7.261 2.293 ( 3.765 6.008 -1.564) 7.261 2.445 ( -0.888 -6.597 4.028) 7.780 2.445 ( -0.888 6.597 4.028) 7.780 2.664 ( 1.957 -4.121 -2.441) 5.174 2.664 ( 1.957 4.121 -2.441) 5.174 2.812 ( -3.485 -5.737 -1.814) 6.954 2.812 ( -3.485 5.737 -1.814) 6.954 3.044 ( -7.171 -4.866 -5.128) 10.070 3.044 ( -7.171 4.866 -5.128) 10.070 3.358 ( -6.899 -4.934 0.743) 8.514 3.358 ( -6.899 4.934 0.743) 8.514 3.878 ( 8.767 -0.254 -17.491) 19.567 3.878 ( 8.767 0.254 -17.491) 19.567 4.469 ( -2.662 -8.664 3.705) 9.792 4.469 ( -2.662 8.664 3.705) 9.792 4.715 ( 7.784 -1.200 -4.204) 8.927 4.715 ( 7.784 1.200 -4.204) 8.927 4.984 ( 11.294 -4.395 1.231) 12.182 4.984 ( 11.294 4.395 1.231) 12.182 5.369 ( 5.776 -5.179 4.201) 8.822 5.369 ( 5.776 5.179 4.201) 8.822 5.821 ( -11.962 -14.961 -7.023) 20.402 5.821 ( -11.962 14.961 -7.023) 20.402 6.100 ( 11.722 -19.127 6.971) 23.491 6.100 ( 11.722 19.127 6.971) 23.491 6.432 ( -0.339 -9.558 -1.618) 9.699 6.432 ( -0.339 9.558 -1.618) 9.699 7.222 ( 4.815 -1.561 11.088) 12.188 7.222 ( 4.815 1.561 11.088) 12.188 7.517 ( -3.517 -8.651 22.350) 24.223 7.517 ( -3.517 8.651 22.350) 24.223 8.345 ( 6.333 -10.729 5.396) 13.577 8.345 ( 6.333 10.729 5.396) 13.577 8.639 ( 0.963 -0.682 8.557) 8.638 8.639 ( 0.963 0.682 8.557) 8.638 8.917 ( 22.723 -14.016 -2.670) 26.831 8.917 ( 22.723 14.016 -2.670) 26.831 9.750 ( 19.086 -14.618 -5.182) 24.593 9.750 ( 19.086 14.618 -5.182) 24.593 10.278 ( -15.493 -22.265 -17.291) 32.168 10.278 ( -15.493 22.265 -17.291) 32.168 11.064 ( -15.938 -13.177 -9.319) 22.682 11.064 ( -15.938 13.177 -9.319) 22.682 12.637 ( 0.188 -3.406 8.733) 9.375 12.637 ( 0.188 3.406 8.733) 9.375 12.689 ( -0.588 -2.483 8.847) 9.207 12.689 ( -0.588 2.483 8.847) 9.207 15.984 ( 6.502 -5.066 -13.120) 15.495 15.984 ( 6.502 5.066 -13.120) 15.495 16.688 ( -10.510 -10.120 -12.377) 19.133 16.688 ( -10.510 10.120 -12.377) 19.133 16.870 ( 6.994 -15.294 5.223) 17.610 16.870 ( 6.994 15.294 5.223) 17.610 17.200 ( -7.988 -14.826 -8.011) 18.649 17.200 ( -7.988 14.826 -8.011) 18.649 22.263 ( 14.761 -14.191 8.968) 22.354 22.263 ( 14.761 14.191 8.968) 22.354 23.175 ( -13.124 -13.466 -6.098) 19.768 23.175 ( -13.124 13.466 -6.098) 19.768 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 2.077 -2.438 -0.665) 3.271 2.337 ( 2.077 2.438 -0.665) 3.271 2.397 ( -3.432 -3.644 0.268) 5.013 2.397 ( -3.432 3.644 0.268) 5.013 2.711 ( 2.363 -4.123 1.358) 4.942 2.711 ( 2.363 4.123 1.358) 4.942 2.774 ( -2.685 -3.030 -0.619) 4.096 2.774 ( -2.685 3.030 -0.619) 4.096 3.019 ( 6.349 -5.884 -3.976) 9.525 3.019 ( 6.349 5.884 -3.976) 9.525 3.197 ( -9.765 -6.345 -1.539) 11.747 3.197 ( -9.765 6.345 -1.539) 11.747 4.066 ( 10.620 -2.295 -18.248) 21.238 4.066 ( 10.620 2.295 -18.248) 21.238 4.284 ( -11.760 -5.329 -12.985) 18.311 4.284 ( -11.760 5.329 -12.985) 18.311 4.962 ( 12.675 -1.959 -1.511) 12.914 4.962 ( 12.675 1.959 -1.511) 12.914 5.113 ( -0.765 -3.046 -2.348) 3.921 5.113 ( -0.765 3.046 -2.348) 3.921 5.460 ( 5.890 -6.967 4.157) 10.026 5.460 ( 5.890 6.967 4.157) 10.026 5.615 ( -9.356 -13.636 -0.163) 16.538 5.615 ( -9.356 13.636 -0.163) 16.538 6.295 ( 7.966 -16.245 4.914) 18.748 6.295 ( 7.966 16.245 4.914) 18.748 6.401 ( -3.216 -12.903 1.860) 13.427 6.401 ( -3.216 12.903 1.860) 13.427 7.316 ( 5.124 -3.647 16.755) 17.896 7.316 ( 5.124 3.647 16.755) 17.896 7.422 ( -5.700 -7.079 21.441) 23.288 7.422 ( -5.700 7.079 21.441) 23.288 8.451 ( 5.791 -8.573 10.732) 14.907 8.451 ( 5.791 8.573 10.732) 14.907 8.567 ( -5.772 -5.091 13.547) 15.581 8.567 ( -5.772 5.091 13.547) 15.581 9.421 ( 25.583 -20.718 -13.799) 35.695 9.421 ( 25.583 20.718 -13.799) 35.695 9.860 ( -18.390 -19.759 -16.278) 31.521 9.860 ( -18.390 19.759 -16.278) 31.521 10.248 ( 21.902 -9.703 -9.507) 25.773 10.248 ( 21.902 9.703 -9.507) 25.773 10.695 ( -22.027 -12.339 -8.879) 26.763 10.695 ( -22.027 12.339 -8.879) 26.763 12.651 ( 1.111 -2.809 8.763) 9.269 12.651 ( 1.111 2.809 8.763) 9.269 12.673 ( -1.063 -2.287 8.987) 9.334 12.673 ( -1.063 2.287 8.987) 9.334 16.165 ( 12.097 -3.793 -19.925) 23.616 16.165 ( 12.097 3.793 -19.925) 23.616 16.431 ( -14.713 -2.155 -20.445) 25.281 16.431 ( -14.713 2.155 -20.445) 25.281 16.989 ( 5.325 -20.592 2.133) 21.376 16.989 ( 5.325 20.592 2.133) 21.376 17.083 ( -4.853 -21.715 -1.462) 22.299 17.083 ( -4.853 21.715 -1.462) 22.299 22.571 ( 16.781 -14.022 4.088) 22.247 22.571 ( 16.781 14.022 4.088) 22.247 22.891 ( -16.054 -13.967 -1.521) 21.333 22.891 ( -16.054 13.967 -1.521) 21.333 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 0.000 20.570) 20.570 1.795 ( 0.000 0.000 25.293) 25.293 2.389 ( 0.000 0.000 -2.299) 2.299 2.716 ( 0.000 0.000 -2.920) 2.920 2.756 ( 0.000 0.000 -9.678) 9.678 2.879 ( 0.000 0.000 -4.967) 4.967 2.968 ( 0.000 0.000 9.611) 9.611 3.032 ( 0.000 0.000 1.342) 1.342 3.279 ( 0.000 0.000 -11.537) 11.537 3.336 ( 0.000 0.000 -11.917) 11.917 3.359 ( 0.000 0.000 3.688) 3.688 3.530 ( 0.000 0.000 4.235) 4.235 3.575 ( 0.000 0.000 25.986) 25.986 3.719 ( 0.000 0.000 1.441) 1.441 3.881 ( 0.000 0.000 11.465) 11.465 3.923 ( 0.000 0.000 6.875) 6.875 4.227 ( 0.000 0.000 5.099) 5.099 4.540 ( 0.000 0.000 -3.993) 3.993 4.587 ( 0.000 0.000 -1.024) 1.024 4.791 ( 0.000 0.000 19.675) 19.675 5.279 ( 0.000 0.000 18.928) 18.928 5.356 ( 0.000 0.000 -4.607) 4.607 5.387 ( 0.000 0.000 -5.882) 5.882 5.966 ( 0.000 0.000 -1.040) 1.040 6.033 ( 0.000 0.000 -24.074) 24.074 6.168 ( 0.000 0.000 -25.412) 25.412 6.358 ( 0.000 0.000 1.587) 1.587 6.391 ( 0.000 0.000 -0.162) 0.162 6.706 ( 0.000 0.000 8.194) 8.194 6.785 ( 0.000 0.000 1.952) 1.952 7.308 ( 0.000 0.000 20.349) 20.349 7.462 ( 0.000 0.000 19.658) 19.658 8.099 ( 0.000 0.000 -6.787) 6.787 8.113 ( 0.000 0.000 12.680) 12.680 8.637 ( 0.000 0.000 -3.024) 3.024 8.644 ( 0.000 0.000 -10.524) 10.524 8.946 ( 0.000 0.000 -10.346) 10.346 9.020 ( 0.000 0.000 -18.539) 18.539 9.263 ( 0.000 0.000 14.827) 14.827 9.753 ( 0.000 0.000 34.985) 34.985 10.185 ( 0.000 0.000 -12.187) 12.187 10.232 ( 0.000 0.000 16.108) 16.108 11.143 ( 0.000 0.000 -13.221) 13.221 11.509 ( 0.000 0.000 -19.645) 19.645 12.642 ( 0.000 0.000 9.117) 9.117 12.969 ( 0.000 0.000 7.229) 7.229 13.019 ( 0.000 0.000 1.316) 1.316 13.079 ( 0.000 0.000 0.340) 0.340 15.554 ( 0.000 0.000 5.942) 5.942 15.845 ( 0.000 0.000 -2.283) 2.283 16.170 ( 0.000 0.000 16.910) 16.910 16.412 ( 0.000 0.000 17.652) 17.652 16.817 ( 0.000 0.000 22.239) 22.239 17.295 ( 0.000 0.000 -15.182) 15.182 17.497 ( 0.000 0.000 -15.574) 15.574 17.698 ( 0.000 0.000 -5.941) 5.941 21.767 ( 0.000 0.000 19.834) 19.834 22.855 ( 0.000 0.000 17.971) 17.971 22.983 ( 0.000 0.000 -17.985) 17.985 23.957 ( 0.000 0.000 -14.044) 14.044 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 4.818 0.000 18.674) 19.286 1.846 ( 5.243 0.000 23.359) 23.940 2.463 ( 5.212 0.000 -5.627) 7.670 2.736 ( -2.007 0.000 -8.965) 9.187 2.754 ( 3.317 0.000 -4.695) 5.748 2.909 ( 3.118 0.000 -4.901) 5.808 2.933 ( -1.473 0.000 7.869) 8.006 3.016 ( -1.743 0.000 -0.287) 1.766 3.283 ( -4.289 0.000 -7.549) 8.682 3.306 ( 1.954 0.000 -11.465) 11.630 3.363 ( -0.697 0.000 0.463) 0.836 3.470 ( -5.508 0.000 16.125) 17.039 3.594 ( 5.246 0.000 3.400) 6.251 3.751 ( 1.067 0.000 13.901) 13.942 3.760 ( -11.892 0.000 11.502) 16.544 3.871 ( -4.877 0.000 1.836) 5.212 4.367 ( 12.351 0.000 5.033) 13.337 4.582 ( 4.510 0.000 -1.656) 4.804 4.660 ( 6.862 0.000 -3.898) 7.892 4.862 ( 6.375 0.000 17.961) 19.059 5.215 ( -3.969 0.000 13.232) 13.815 5.347 ( -3.666 0.000 -5.418) 6.542 5.415 ( 4.559 0.000 -4.865) 6.668 5.606 ( -24.940 0.000 -3.947) 25.250 6.044 ( 1.017 0.000 -21.498) 21.522 6.171 ( 0.138 0.000 -22.801) 22.802 6.496 ( 14.147 0.000 9.491) 17.036 6.728 ( 0.886 0.000 12.457) 12.489 6.788 ( 26.568 0.000 0.183) 26.569 6.881 ( 8.968 0.000 2.488) 9.307 7.314 ( 1.290 0.000 18.511) 18.556 7.398 ( -0.434 0.000 12.182) 12.190 8.122 ( -0.635 0.000 -10.862) 10.880 8.257 ( 11.102 0.000 12.046) 16.381 8.520 ( -10.106 0.000 -14.125) 17.368 8.658 ( 6.146 0.000 0.712) 6.187 9.018 ( 5.970 0.000 -7.281) 9.415 9.109 ( 4.665 0.000 -4.434) 6.436 9.279 ( 3.639 0.000 4.208) 5.564 9.736 ( -1.716 0.000 33.636) 33.680 10.143 ( -5.204 0.000 0.171) 5.207 10.185 ( -3.727 0.000 4.710) 6.007 11.112 ( -3.261 0.000 -14.469) 14.832 11.460 ( -5.146 0.000 -19.337) 20.010 12.630 ( -1.311 0.000 9.466) 9.557 12.884 ( -6.804 0.000 8.186) 10.645 13.027 ( 0.293 0.000 2.970) 2.985 13.071 ( -0.872 0.000 0.839) 1.210 15.562 ( 0.859 0.000 5.449) 5.516 15.805 ( -4.934 0.000 0.613) 4.972 16.031 ( -9.973 0.000 10.346) 14.371 16.309 ( -9.278 0.000 14.069) 16.853 16.975 ( 10.415 0.000 16.205) 19.264 17.100 ( -13.987 0.000 -11.971) 18.410 17.367 ( -13.113 0.000 -17.545) 21.904 17.800 ( 7.217 0.000 -4.958) 8.756 21.866 ( 8.854 0.000 17.019) 19.185 22.900 ( 4.541 0.000 17.307) 17.893 22.943 ( -4.096 0.000 -16.708) 17.203 23.940 ( -1.869 0.000 -13.246) 13.377 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 2.677 0.000 14.467) 14.713 1.991 ( 9.611 0.000 18.005) 20.410 2.508 ( 0.011 0.000 -5.023) 5.023 2.673 ( -4.605 0.000 -6.979) 8.362 2.805 ( 0.666 0.000 -8.811) 8.836 2.876 ( -7.010 0.000 -0.530) 7.030 2.992 ( 5.219 0.000 -3.625) 6.354 3.021 ( 2.804 0.000 -3.975) 4.865 3.182 ( -5.831 0.000 -5.792) 8.219 3.324 ( -4.034 0.000 1.630) 4.350 3.333 ( 2.687 0.000 -2.516) 3.681 3.477 ( -13.385 0.000 11.904) 17.912 3.513 ( 8.622 0.000 -2.723) 9.041 3.677 ( 1.652 0.000 -3.229) 3.627 3.735 ( -5.182 0.000 0.516) 5.207 3.783 ( 0.105 0.000 18.557) 18.557 4.601 ( 10.066 0.000 2.986) 10.499 4.710 ( 8.353 0.000 0.970) 8.409 4.733 ( -8.865 0.000 -22.831) 24.492 5.020 ( 9.663 0.000 14.837) 17.706 5.084 ( -4.641 0.000 10.455) 11.439 5.239 ( -6.954 0.000 -9.048) 11.412 5.348 ( 2.296 0.000 5.895) 6.327 5.491 ( 2.660 0.000 -1.758) 3.188 6.059 ( 0.134 0.000 -14.444) 14.445 6.169 ( -0.620 0.000 -14.327) 14.341 6.698 ( -2.513 0.000 14.445) 14.662 6.770 ( 13.261 0.000 13.410) 18.860 7.095 ( 13.228 0.000 3.120) 13.591 7.291 ( 23.509 0.000 2.959) 23.695 7.382 ( 6.204 0.000 15.284) 16.495 7.611 ( 20.823 0.000 1.574) 20.883 8.013 ( -9.275 0.000 -12.294) 15.400 8.235 ( -13.323 0.000 -13.999) 19.326 8.523 ( 10.087 0.000 5.986) 11.730 8.952 ( 22.904 0.000 2.107) 23.001 9.101 ( -3.354 0.000 18.645) 18.944 9.137 ( 6.109 0.000 -0.819) 6.163 9.434 ( 8.920 0.000 -14.050) 16.642 9.690 ( -2.902 0.000 29.554) 29.696 9.984 ( -10.182 0.000 12.093) 15.809 10.120 ( -2.532 0.000 -6.277) 6.768 11.016 ( -6.721 0.000 -17.236) 18.500 11.307 ( -10.884 0.000 -18.325) 21.313 12.595 ( -1.913 0.000 10.576) 10.748 12.771 ( -4.031 0.000 9.115) 9.966 13.027 ( -0.370 0.000 3.153) 3.174 13.048 ( -1.411 0.000 2.731) 3.074 15.585 ( 1.338 0.000 3.813) 4.041 15.642 ( -9.902 0.000 2.912) 10.321 15.900 ( -3.977 0.000 -0.396) 3.996 16.118 ( -9.175 0.000 4.470) 10.206 16.681 ( -22.633 0.000 -21.299) 31.079 17.024 ( -21.257 0.000 -21.573) 30.286 17.285 ( 15.090 0.000 18.233) 23.667 17.915 ( 4.254 0.000 -2.766) 5.074 22.045 ( 8.649 0.000 12.028) 14.815 22.828 ( -7.706 0.000 -13.572) 15.607 23.024 ( 8.156 0.000 14.996) 17.071 23.882 ( -4.319 0.000 -10.867) 11.694 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 4.395 0.000 6.969) 8.239 2.200 ( 11.567 0.000 10.326) 15.506 2.472 ( -5.450 0.000 -9.381) 10.849 2.580 ( -3.513 0.000 -1.528) 3.831 2.722 ( -6.973 0.000 3.186) 7.667 2.740 ( -7.172 0.000 -7.256) 10.202 3.030 ( -5.090 0.000 -2.675) 5.750 3.102 ( 6.032 0.000 -2.587) 6.564 3.118 ( -5.037 0.000 2.534) 5.639 3.174 ( 0.898 0.000 1.720) 1.941 3.388 ( 2.276 0.000 -5.892) 6.316 3.411 ( 4.063 0.000 -6.056) 7.293 3.586 ( -3.627 0.000 -8.966) 9.672 3.604 ( -6.542 0.000 -4.615) 8.006 3.652 ( -4.113 0.000 -4.918) 6.411 3.967 ( 17.168 0.000 13.194) 21.652 4.313 ( -25.726 0.000 -25.536) 36.248 4.747 ( 4.947 0.000 1.447) 5.155 4.848 ( 3.242 0.000 -0.166) 3.246 5.062 ( -3.838 0.000 -6.821) 7.827 5.219 ( 11.159 0.000 7.898) 13.671 5.258 ( 9.242 0.000 7.638) 11.990 5.452 ( 5.169 0.000 3.717) 6.367 5.518 ( 0.279 0.000 2.244) 2.261 6.052 ( -0.424 0.000 -5.803) 5.818 6.131 ( -3.108 0.000 -5.738) 6.526 6.724 ( 6.202 0.000 0.673) 6.239 7.007 ( 11.672 0.000 12.436) 17.056 7.340 ( 8.177 0.000 -0.780) 8.214 7.500 ( 4.574 0.000 15.596) 16.253 7.657 ( 12.425 0.000 1.247) 12.487 7.840 ( -6.034 0.000 -4.800) 7.710 7.917 ( -2.114 0.000 -2.292) 3.118 8.137 ( 16.199 0.000 -3.750) 16.628 8.660 ( 2.957 0.000 3.903) 4.897 9.081 ( 3.919 0.000 20.650) 21.019 9.246 ( 5.883 0.000 6.833) 9.017 9.441 ( 19.794 0.000 8.117) 21.393 9.475 ( -6.676 0.000 -3.339) 7.464 9.663 ( 6.021 0.000 14.039) 15.275 9.785 ( -10.425 0.000 5.434) 11.756 10.153 ( 7.541 0.000 -10.377) 12.828 10.854 ( -10.065 0.000 -19.585) 22.020 11.035 ( -17.370 0.000 -16.443) 23.918 12.582 ( 0.956 0.000 10.047) 10.092 12.722 ( -1.726 0.000 7.545) 7.740 13.009 ( -1.244 0.000 3.419) 3.639 13.025 ( -0.988 0.000 5.056) 5.152 15.494 ( -3.962 0.000 -6.315) 7.456 15.617 ( 1.337 0.000 1.236) 1.821 15.841 ( -2.516 0.000 -2.010) 3.220 15.993 ( -3.152 0.000 -6.921) 7.605 16.244 ( -21.619 0.000 -22.589) 31.267 16.597 ( -21.798 0.000 -24.127) 32.516 17.559 ( 12.955 0.000 12.969) 18.331 17.956 ( -0.045 0.000 -0.154) 0.161 22.190 ( 6.678 0.000 6.686) 9.450 22.658 ( -9.569 0.000 -9.548) 13.518 23.204 ( 10.297 0.000 10.671) 14.829 23.771 ( -7.160 0.000 -6.909) 9.950 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 9.807 0.000 -2.255) 10.062 2.291 ( -11.552 0.000 -9.411) 14.900 2.414 ( 10.034 0.000 1.251) 10.112 2.566 ( 1.428 0.000 2.633) 2.995 2.584 ( -8.147 0.000 -4.970) 9.543 2.621 ( -4.033 0.000 4.403) 5.971 2.938 ( -2.497 0.000 3.196) 4.055 2.969 ( -5.616 0.000 7.686) 9.519 3.257 ( 9.663 0.000 -1.116) 9.728 3.340 ( 10.512 0.000 -6.645) 12.436 3.425 ( 0.579 0.000 -1.481) 1.590 3.453 ( -7.520 0.000 -9.501) 12.117 3.495 ( -4.662 0.000 -4.955) 6.804 3.524 ( -6.379 0.000 -7.430) 9.792 3.566 ( 9.361 0.000 -13.913) 16.769 3.863 ( -19.935 0.000 -22.348) 29.947 4.311 ( 17.385 0.000 -3.748) 17.784 4.624 ( -14.399 0.000 -8.418) 16.679 4.958 ( 7.834 0.000 0.584) 7.856 5.054 ( -1.195 0.000 -1.326) 1.785 5.408 ( 7.611 0.000 4.314) 8.748 5.410 ( 6.137 0.000 7.865) 9.976 5.495 ( -1.135 0.000 2.769) 2.992 5.497 ( -2.792 0.000 6.661) 7.223 6.052 ( 0.510 0.000 -2.204) 2.262 6.076 ( -2.102 0.000 -2.495) 3.263 6.931 ( 14.687 0.000 -11.145) 18.437 7.230 ( 11.525 0.000 8.681) 14.429 7.242 ( -15.228 0.000 -14.800) 21.235 7.440 ( -9.373 0.000 6.683) 11.512 7.794 ( 5.026 0.000 4.971) 7.069 7.842 ( 0.984 0.000 7.541) 7.605 8.025 ( 13.898 0.000 11.328) 17.930 8.277 ( -7.828 0.000 13.959) 16.004 8.824 ( 17.656 0.000 -0.829) 17.676 9.159 ( -10.082 0.000 2.664) 10.428 9.326 ( 5.564 0.000 13.608) 14.701 9.361 ( 6.090 0.000 14.682) 15.895 9.473 ( -5.088 0.000 20.996) 21.603 9.559 ( -13.098 0.000 5.744) 14.302 10.119 ( 28.855 0.000 -9.542) 30.392 10.374 ( 13.540 0.000 -17.268) 21.944 10.632 ( -12.758 0.000 -19.944) 23.676 10.636 ( -24.053 0.000 -13.607) 27.635 12.626 ( 3.135 0.000 7.982) 8.575 12.684 ( -2.554 0.000 6.787) 7.251 12.994 ( -0.065 0.000 5.138) 5.138 13.005 ( -0.974 0.000 5.465) 5.551 15.505 ( 4.776 0.000 -14.077) 14.865 15.611 ( -3.307 0.000 -7.435) 8.137 15.810 ( 0.145 0.000 -3.310) 3.313 15.906 ( -11.598 0.000 -14.314) 18.423 16.017 ( 6.015 0.000 -16.638) 17.692 16.228 ( -15.623 0.000 -22.692) 27.550 17.775 ( 9.249 0.000 7.626) 11.987 17.910 ( -4.725 0.000 3.200) 5.706 22.319 ( 7.192 0.000 0.834) 7.241 22.475 ( -8.994 0.000 -4.772) 10.181 23.410 ( 10.757 0.000 4.771) 11.768 23.608 ( -9.575 0.000 -1.490) 9.690 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 0.535 19.590) 19.597 1.836 ( 0.000 8.327 18.803) 20.564 2.509 ( 0.000 8.389 -3.272) 9.004 2.580 ( 0.000 -11.488 -8.582) 14.340 2.708 ( 0.000 -0.716 -6.377) 6.417 2.886 ( 0.000 -4.633 -1.586) 4.897 2.917 ( 0.000 -7.501 1.665) 7.684 3.014 ( 0.000 3.858 -1.973) 4.333 3.103 ( 0.000 -12.494 -8.823) 15.296 3.282 ( 0.000 -3.275 -10.915) 11.396 3.419 ( 0.000 -4.482 10.345) 11.274 3.573 ( 0.000 6.457 -3.467) 7.329 3.731 ( 0.000 10.214 19.199) 21.747 3.740 ( 0.000 8.080 4.227) 9.119 3.914 ( 0.000 7.114 23.352) 24.411 4.149 ( 0.000 12.644 0.096) 12.644 4.241 ( 0.000 1.655 8.199) 8.365 4.590 ( 0.000 6.238 -1.214) 6.355 4.640 ( 0.000 6.051 -0.159) 6.053 4.880 ( 0.000 8.167 17.076) 18.928 5.216 ( 0.000 -6.292 19.367) 20.363 5.344 ( 0.000 -0.681 -2.571) 2.659 5.347 ( 0.000 -3.363 -5.134) 6.138 6.001 ( 0.000 1.577 -7.613) 7.774 6.036 ( 0.000 0.464 -24.016) 24.020 6.164 ( 0.000 -0.740 -24.864) 24.875 6.411 ( 0.000 3.193 4.417) 5.450 6.419 ( 0.000 1.672 4.112) 4.439 6.590 ( 0.000 -7.464 4.824) 8.887 6.738 ( 0.000 -3.340 0.257) 3.350 7.183 ( 0.000 -5.933 10.086) 11.702 7.729 ( 0.000 17.042 25.212) 30.432 7.871 ( 0.000 -18.229 -8.007) 19.910 8.074 ( 0.000 -9.023 6.045) 10.861 8.336 ( 0.000 -1.406 0.753) 1.595 8.785 ( 0.000 -9.821 -8.520) 13.002 8.987 ( 0.000 -5.995 -15.879) 16.973 9.086 ( 0.000 14.511 10.502) 17.913 9.369 ( 0.000 11.072 2.786) 11.417 9.751 ( 0.000 0.446 35.219) 35.222 10.224 ( 0.000 -0.068 12.672) 12.672 10.382 ( 0.000 15.638 -14.253) 21.159 11.092 ( 0.000 -4.569 -12.678) 13.476 11.487 ( 0.000 -2.348 -18.835) 18.981 12.637 ( 0.000 -0.002 8.791) 8.791 12.941 ( 0.000 -2.156 8.286) 8.562 12.996 ( 0.000 -2.294 0.775) 2.422 13.035 ( 0.000 -4.018 1.990) 4.484 15.761 ( 0.000 19.329 5.216) 20.021 16.002 ( 0.000 12.390 1.254) 12.453 16.212 ( 0.000 4.988 13.141) 14.056 16.395 ( 0.000 -1.630 17.762) 17.837 16.812 ( 0.000 -0.598 20.813) 20.822 17.310 ( 0.000 1.422 -15.162) 15.228 17.484 ( 0.000 -1.262 -15.538) 15.590 17.616 ( 0.000 -8.113 -5.058) 9.561 21.754 ( 0.000 -0.131 20.406) 20.407 22.736 ( 0.000 -11.114 17.555) 20.778 23.005 ( 0.000 2.237 -18.055) 18.193 23.848 ( 0.000 -10.136 -14.460) 17.659 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 6.444 1.079 17.753) 18.917 1.895 ( 4.860 8.220 16.453) 19.023 2.500 ( -2.312 -0.391 -7.063) 7.442 2.586 ( 0.958 -6.542 -7.893) 10.296 2.749 ( 3.201 -0.361 -6.409) 7.173 2.855 ( -2.604 -5.226 -0.975) 5.920 2.892 ( -1.576 -6.141 1.259) 6.464 3.049 ( 1.539 1.805 0.356) 2.399 3.099 ( 1.190 -9.189 -7.123) 11.687 3.270 ( -0.698 -3.853 -13.392) 13.953 3.437 ( 0.312 -6.039 3.582) 7.029 3.564 ( -1.483 4.480 -2.738) 5.456 3.646 ( 0.820 13.157 13.686) 19.002 3.814 ( -5.366 5.447 10.099) 12.667 3.891 ( 0.822 13.054 25.588) 28.737 3.992 ( -9.375 9.886 -0.025) 13.625 4.393 ( 9.731 0.790 6.004) 11.462 4.617 ( 4.135 5.918 -0.639) 7.248 4.684 ( 4.068 3.072 -2.616) 5.730 4.951 ( 6.486 7.879 16.063) 19.030 5.198 ( 0.381 -2.982 13.795) 14.119 5.313 ( -2.405 -2.637 -3.743) 5.172 5.415 ( 4.853 0.264 -3.541) 6.013 5.674 ( -22.765 5.827 -6.726) 24.443 6.031 ( -0.516 -0.809 -21.844) 21.865 6.164 ( -0.246 -0.591 -21.838) 21.848 6.552 ( 11.533 1.174 7.792) 13.968 6.606 ( 6.427 -11.907 9.038) 16.271 6.703 ( 12.409 -1.345 3.906) 13.078 6.917 ( 19.543 2.664 -1.301) 19.766 7.274 ( 10.825 -1.927 5.275) 12.195 7.626 ( -7.210 15.174 21.988) 27.672 7.839 ( -5.310 -19.141 -10.244) 22.350 8.204 ( 12.877 -5.804 10.032) 17.325 8.404 ( 6.576 -0.688 -0.529) 6.633 8.858 ( 5.851 -11.071 -5.166) 13.546 8.954 ( -2.875 5.276 -12.196) 13.596 9.113 ( 2.443 3.790 9.870) 10.851 9.350 ( -0.889 8.017 -1.331) 8.175 9.731 ( -2.021 0.359 34.118) 34.180 10.157 ( -6.618 -0.129 13.164) 14.734 10.364 ( -2.011 15.491 -13.541) 20.673 11.055 ( -3.805 -5.002 -13.701) 15.074 11.440 ( -4.913 -2.160 -18.736) 19.489 12.631 ( -0.695 0.468 8.923) 8.963 12.871 ( -5.721 -1.004 8.378) 10.195 13.002 ( 0.160 -2.469 2.387) 3.438 13.030 ( -0.537 -3.692 2.563) 4.526 15.768 ( 0.722 19.188 4.812) 19.796 15.925 ( -9.025 8.067 7.406) 14.191 16.119 ( -5.172 10.115 3.150) 11.789 16.293 ( -9.358 -1.358 14.420) 17.244 16.961 ( 10.617 -1.456 16.387) 19.580 17.109 ( -14.964 0.665 -13.115) 19.908 17.355 ( -12.979 -1.099 -17.497) 21.813 17.721 ( 6.980 -7.677 -4.502) 11.310 21.847 ( 8.511 -0.721 18.014) 19.936 22.780 ( 4.540 -11.067 16.934) 20.733 22.966 ( -3.960 2.344 -16.782) 17.401 23.830 ( -1.999 -10.262 -13.628) 17.177 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 2.990 8.567 12.050) 15.085 1.999 ( 9.417 1.121 13.148) 16.211 2.431 ( -3.560 -7.772 -6.959) 11.024 2.576 ( -2.630 -3.771 -7.792) 9.047 2.779 ( -2.669 -4.091 -2.850) 5.655 2.816 ( 0.010 0.445 -4.355) 4.378 2.867 ( -0.606 -6.809 -1.061) 6.918 3.043 ( -1.931 -6.133 -0.560) 6.454 3.167 ( 2.784 -2.167 -5.155) 6.247 3.245 ( -0.473 -5.527 -10.001) 11.436 3.445 ( 0.832 -3.929 -2.600) 4.784 3.541 ( -0.700 5.179 -5.066) 7.278 3.583 ( -12.234 5.997 8.141) 15.872 3.728 ( 1.525 11.219 4.250) 12.094 3.820 ( -7.477 5.790 0.060) 9.457 3.928 ( 3.883 17.103 23.206) 29.088 4.554 ( 4.670 -2.473 3.139) 6.146 4.726 ( -1.155 1.551 -10.853) 11.024 4.776 ( 9.422 4.967 -2.676) 10.982 5.082 ( 3.331 1.138 9.658) 10.280 5.180 ( -3.596 5.718 -0.893) 6.814 5.285 ( 3.797 4.200 3.251) 6.529 5.383 ( -2.157 7.327 3.521) 8.411 5.507 ( 3.955 1.318 0.302) 4.180 6.015 ( -1.074 -3.287 -15.311) 15.697 6.153 ( -1.032 -1.153 -13.988) 14.074 6.652 ( 1.957 -4.415 9.423) 10.589 6.827 ( 13.925 -8.934 7.753) 18.271 6.949 ( 12.930 3.065 7.675) 15.346 7.365 ( 22.900 4.210 -1.225) 23.316 7.527 ( -1.481 10.734 17.754) 20.799 7.601 ( 16.692 -2.387 -0.196) 16.863 7.727 ( -0.320 -11.360 -6.443) 13.064 8.431 ( 4.995 2.261 4.576) 7.142 8.559 ( 8.318 4.755 -5.401) 10.998 8.932 ( 2.273 -9.410 -0.466) 9.692 8.985 ( 10.107 1.057 -2.464) 10.457 9.130 ( -0.755 -2.867 19.970) 20.189 9.406 ( 6.673 -0.086 -14.486) 15.949 9.678 ( -3.165 0.123 30.602) 30.765 9.993 ( -9.213 -0.191 12.829) 15.795 10.301 ( -4.462 14.209 -11.847) 19.030 10.943 ( -7.941 -6.328 -15.820) 18.798 11.295 ( -10.256 -1.525 -18.329) 21.058 12.612 ( -0.972 1.806 9.515) 9.734 12.772 ( -3.714 0.249 8.904) 9.651 12.997 ( -0.664 -2.967 2.500) 3.937 13.016 ( -0.776 -2.728 4.493) 5.313 15.708 ( -11.052 5.074 4.413) 12.937 15.788 ( 1.184 18.743 3.473) 19.099 16.058 ( -2.241 15.140 -2.242) 15.468 16.096 ( -9.503 -2.001 5.016) 10.931 16.698 ( -22.200 1.500 -20.883) 30.516 17.016 ( -20.995 -0.682 -21.392) 29.981 17.250 ( 13.928 -3.581 16.916) 22.203 17.829 ( 3.854 -8.483 -2.533) 9.656 22.027 ( 9.112 -0.868 13.227) 16.085 22.853 ( -7.251 2.583 -13.236) 15.312 22.905 ( 7.828 -10.999 14.327) 19.686 23.768 ( -4.533 -10.591 -11.183) 16.056 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 3.768 8.223 6.047) 10.880 2.173 ( 7.772 -1.483 8.362) 11.512 2.386 ( -1.507 -9.159 -5.639) 10.861 2.493 ( -5.857 -2.657 -8.679) 10.802 2.700 ( -3.504 1.473 2.998) 4.841 2.767 ( -4.722 0.445 -2.294) 5.269 2.911 ( 3.509 -6.545 -2.098) 7.717 2.977 ( -2.563 -5.522 -1.472) 6.263 3.131 ( -4.436 -4.480 2.191) 6.675 3.306 ( 3.642 -3.623 -5.471) 7.505 3.391 ( -5.217 -1.313 -5.180) 7.468 3.447 ( -1.409 -0.118 -2.225) 2.636 3.584 ( 2.827 0.061 -12.595) 12.909 3.594 ( -8.100 1.417 -4.086) 9.182 3.717 ( -5.305 14.740 -4.410) 16.274 4.137 ( 12.783 14.385 13.228) 23.352 4.330 ( -19.840 2.613 -20.791) 28.857 4.792 ( 6.936 3.655 1.693) 8.021 4.936 ( 2.321 6.506 -2.422) 7.320 5.051 ( -0.473 -0.913 -2.413) 2.623 5.260 ( 6.722 3.641 6.827) 10.250 5.367 ( 4.462 7.630 3.773) 9.610 5.484 ( 7.814 5.253 5.658) 10.984 5.587 ( 4.721 5.725 4.800) 8.838 6.001 ( -0.235 -4.106 -7.650) 8.686 6.111 ( -3.459 -1.809 -6.210) 7.335 6.701 ( 3.963 -2.062 3.080) 5.425 7.045 ( 5.384 -17.509 2.860) 18.540 7.197 ( 13.059 12.046 7.780) 19.395 7.549 ( 3.922 -2.667 9.611) 10.718 7.592 ( 2.056 0.340 3.268) 3.876 7.781 ( 15.375 2.761 4.303) 16.203 8.061 ( 15.488 0.167 6.792) 16.913 8.339 ( -8.624 18.602 -13.283) 24.431 8.695 ( 3.495 3.001 2.924) 5.456 8.979 ( 6.209 -8.084 10.904) 14.927 9.130 ( 2.624 -8.473 13.368) 16.043 9.373 ( 21.063 -6.118 2.366) 22.061 9.457 ( -4.029 -2.136 0.779) 4.626 9.639 ( 0.371 0.053 20.339) 20.343 9.892 ( 0.973 4.112 -2.744) 5.038 10.217 ( -2.249 6.761 -10.586) 12.761 10.748 ( -12.222 -8.511 -17.177) 22.735 11.041 ( -16.088 -0.572 -17.366) 23.680 12.610 ( 1.077 2.707 9.306) 9.752 12.728 ( -1.419 0.689 7.528) 7.691 12.980 ( -0.945 -2.731 3.905) 4.858 13.000 ( -0.943 -2.338 5.403) 5.962 15.556 ( -3.864 5.048 -6.068) 8.788 15.807 ( 0.405 17.430 0.447) 17.440 15.953 ( -4.426 0.758 -3.120) 5.468 16.030 ( -1.051 13.462 -5.460) 14.565 16.270 ( -20.882 2.451 -21.761) 30.259 16.595 ( -21.436 0.108 -23.824) 32.049 17.502 ( 11.897 -5.687 11.920) 17.776 17.866 ( -0.082 -8.951 -0.161) 8.953 22.186 ( 7.640 0.299 7.609) 10.787 22.686 ( -9.510 3.031 -9.525) 13.797 23.083 ( 10.180 -11.310 10.485) 18.479 23.653 ( -7.381 -11.004 -7.179) 15.071 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 7.667 5.486 -0.296) 9.432 2.273 ( -0.061 -4.697 1.472) 4.923 2.327 ( -2.739 -0.963 -3.634) 4.651 2.383 ( -4.371 -6.181 -3.150) 8.199 2.671 ( 0.058 3.022 0.773) 3.119 2.689 ( -2.380 2.305 -1.892) 3.815 2.926 ( 1.511 -2.086 4.292) 5.005 3.004 ( -3.887 0.384 5.991) 7.152 3.083 ( 6.389 -7.562 0.962) 9.946 3.267 ( -9.773 -11.237 -0.229) 14.895 3.346 ( 1.903 -6.814 -6.548) 9.640 3.394 ( -2.030 -4.923 -9.595) 10.974 3.607 ( 6.760 8.675 -15.266) 18.815 3.628 ( 2.126 3.577 -12.826) 13.484 3.646 ( -0.597 9.316 -7.991) 12.288 3.891 ( -18.872 2.308 -22.722) 29.627 4.453 ( 14.526 13.339 0.058) 19.721 4.719 ( -12.447 8.933 -6.640) 16.698 5.009 ( 7.452 3.754 2.423) 8.689 5.094 ( -0.159 3.879 1.329) 4.104 5.369 ( 3.930 -0.161 5.371) 6.657 5.408 ( -0.165 0.401 4.066) 4.089 5.619 ( 5.479 11.323 6.355) 14.093 5.662 ( 1.512 10.791 6.623) 12.752 6.004 ( 0.611 -4.387 -3.661) 5.747 6.038 ( -3.213 -3.505 -2.965) 5.604 6.821 ( 8.373 -6.626 -2.626) 10.996 6.994 ( -8.136 -14.267 -3.888) 16.878 7.445 ( 11.710 12.020 5.250) 17.583 7.592 ( -2.452 2.775 9.367) 10.073 7.731 ( 11.541 -0.525 7.105) 13.563 7.957 ( -8.101 11.578 5.497) 15.162 8.083 ( 7.548 4.281 3.404) 9.322 8.275 ( -6.767 1.298 6.243) 9.298 8.821 ( 13.143 -0.012 5.297) 14.171 9.064 ( -6.310 -5.173 2.494) 8.532 9.222 ( 6.956 -7.360 18.254) 20.875 9.318 ( -4.706 -5.057 16.433) 17.826 9.542 ( 4.751 5.145 12.232) 14.094 9.704 ( -6.353 8.111 -4.610) 11.288 10.078 ( 21.112 -2.389 -8.885) 23.030 10.332 ( 13.351 -4.441 -16.450) 21.646 10.471 ( -16.259 -9.556 -15.273) 24.268 10.685 ( -19.942 -0.237 -16.667) 25.991 12.650 ( 2.690 2.363 7.857) 8.634 12.698 ( -2.005 1.441 6.916) 7.343 12.970 ( 0.035 -2.341 5.411) 5.896 12.981 ( -0.957 -2.319 5.682) 6.211 15.577 ( 6.019 5.618 -15.385) 17.450 15.748 ( -8.551 10.460 -13.365) 19.005 15.923 ( 0.643 6.151 -5.015) 7.963 15.971 ( -6.448 6.673 -9.798) 13.495 16.052 ( 3.737 9.026 -11.987) 15.464 16.235 ( -14.842 2.034 -21.701) 26.370 17.700 ( 8.444 -7.459 6.937) 13.231 17.823 ( -4.311 -8.609 2.884) 10.051 22.334 ( 8.011 1.832 1.411) 8.338 22.501 ( -9.348 2.829 -4.504) 10.755 23.287 ( 10.735 -11.434 4.558) 16.332 23.487 ( -9.702 -11.334 -1.737) 15.020 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 8.156 9.004) 12.149 2.052 ( 0.000 10.855 13.496) 17.320 2.360 ( 0.000 -8.883 -7.174) 11.418 2.579 ( 0.000 -5.293 2.078) 5.686 2.699 ( 0.000 0.024 -10.608) 10.608 2.763 ( 0.000 -4.227 -6.996) 8.174 2.776 ( 0.000 -4.249 -0.542) 4.283 2.900 ( 0.000 -6.219 -8.814) 10.787 3.132 ( 0.000 6.498 -3.269) 7.273 3.141 ( 0.000 -4.663 -3.368) 5.752 3.400 ( 0.000 -1.942 -2.523) 3.184 3.479 ( 0.000 -9.284 -4.566) 10.347 3.931 ( 0.000 7.378 14.430) 16.206 3.975 ( 0.000 7.152 -0.450) 7.166 4.150 ( 0.000 13.446 18.115) 22.560 4.286 ( 0.000 1.846 11.187) 11.338 4.351 ( 0.000 9.585 13.352) 16.436 4.824 ( 0.000 14.336 1.829) 14.452 4.849 ( 0.000 11.579 -0.178) 11.581 5.013 ( 0.000 -13.138 21.518) 25.212 5.137 ( 0.000 18.400 11.163) 21.521 5.267 ( 0.000 -3.853 -1.549) 4.153 5.333 ( 0.000 -1.245 4.278) 4.455 5.952 ( 0.000 -8.572 -9.241) 12.605 6.063 ( 0.000 2.473 -22.026) 22.164 6.139 ( 0.000 -0.816 -21.108) 21.124 6.305 ( 0.000 -9.050 3.209) 9.602 6.346 ( 0.000 -8.998 2.291) 9.285 6.653 ( 0.000 10.193 -2.232) 10.435 6.756 ( 0.000 5.413 -1.361) 5.581 7.079 ( 0.000 -4.273 3.828) 5.737 7.424 ( 0.000 -21.751 -8.336) 23.294 7.974 ( 0.000 -1.013 7.273) 7.344 7.998 ( 0.000 6.078 16.743) 17.812 8.383 ( 0.000 4.791 -1.822) 5.125 8.692 ( 0.000 2.567 3.535) 4.369 8.798 ( 0.000 -10.197 -8.100) 13.023 9.147 ( 0.000 -5.899 29.349) 29.936 9.658 ( 0.000 12.018 0.711) 12.039 9.773 ( 0.000 1.392 31.992) 32.023 10.281 ( 0.000 6.961 0.960) 7.027 10.640 ( 0.000 3.473 -18.420) 18.745 11.031 ( 0.000 3.085 -10.527) 10.969 11.401 ( 0.000 -6.319 -16.915) 18.056 12.665 ( 0.000 3.121 6.660) 7.355 12.904 ( 0.000 -1.014 8.988) 9.045 12.904 ( 0.000 -6.549 -0.335) 6.557 12.956 ( 0.000 -2.972 6.397) 7.053 16.185 ( 0.000 5.226 16.404) 17.216 16.281 ( 0.000 27.948 3.541) 28.171 16.349 ( 0.000 -1.522 17.682) 17.747 16.429 ( 0.000 13.871 2.283) 14.057 16.780 ( 0.000 -2.925 16.447) 16.706 17.349 ( 0.000 2.323 -15.218) 15.394 17.353 ( 0.000 -17.691 -2.618) 17.883 17.449 ( 0.000 -2.177 -15.592) 15.743 21.819 ( 0.000 7.569 19.639) 21.047 22.430 ( 0.000 -17.542 17.178) 24.552 23.091 ( 0.000 6.615 -18.141) 19.309 23.579 ( 0.000 -14.894 -15.667) 21.616 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 5.653 7.354 7.619) 12.004 2.115 ( 5.282 11.421 12.031) 17.409 2.342 ( -1.869 -8.167 -8.917) 12.236 2.583 ( 0.727 -3.522 -0.181) 3.601 2.727 ( -3.874 -1.989 -2.932) 5.249 2.744 ( 2.377 -2.634 -8.835) 9.521 2.794 ( 2.004 -1.009 -3.579) 4.225 2.877 ( -1.859 -7.132 -5.983) 9.494 3.084 ( -0.171 -7.115 -7.296) 10.192 3.180 ( -2.372 0.262 -3.750) 4.444 3.332 ( -1.546 -2.914 -0.838) 3.404 3.537 ( 2.933 -4.596 -6.023) 8.124 3.891 ( -4.143 7.007 14.088) 16.270 3.963 ( -4.162 5.083 3.943) 7.662 4.097 ( -3.412 11.708 16.091) 20.190 4.348 ( 1.943 17.507 14.406) 22.755 4.375 ( 7.096 -0.786 6.358) 9.560 4.794 ( -1.474 7.673 -0.057) 7.813 4.817 ( -1.208 8.389 0.320) 8.481 5.082 ( 0.695 -4.455 6.890) 8.234 5.095 ( 1.758 0.696 14.360) 14.484 5.344 ( 6.793 7.358 6.277) 11.819 5.407 ( 5.584 0.609 0.148) 5.619 5.803 ( -12.088 5.502 -8.846) 15.957 6.037 ( -2.694 1.689 -20.748) 20.990 6.139 ( 0.217 -2.613 -18.471) 18.656 6.326 ( 4.463 -13.367 5.927) 15.288 6.421 ( 6.029 -10.066 2.480) 11.993 6.817 ( 13.465 8.295 1.395) 15.876 6.986 ( 21.344 4.121 -2.804) 21.918 7.230 ( 15.117 -2.544 -0.311) 15.333 7.400 ( -1.352 -17.906 -6.327) 19.039 7.968 ( -1.367 10.960 18.170) 21.264 8.114 ( 11.549 -2.413 9.270) 15.004 8.431 ( 5.394 3.820 -2.181) 6.960 8.713 ( 1.269 -0.095 6.459) 6.583 8.818 ( 3.150 -11.535 -12.444) 17.258 9.107 ( -4.243 -7.431 29.019) 30.254 9.623 ( -3.128 12.891 -1.688) 13.372 9.754 ( -1.951 1.506 30.680) 30.779 10.206 ( -7.621 6.444 2.422) 10.270 10.603 ( -3.973 1.601 -18.547) 19.036 10.992 ( -4.072 3.582 -10.850) 12.130 11.359 ( -4.394 -6.031 -17.141) 18.695 12.667 ( 0.135 3.309 6.636) 7.416 12.853 ( -3.600 -1.091 6.271) 7.312 12.915 ( 0.029 -4.988 3.477) 6.080 12.955 ( -0.161 -3.249 6.536) 7.301 16.050 ( -11.645 5.035 13.780) 18.731 16.226 ( -9.374 -2.641 12.361) 15.737 16.286 ( -0.114 28.499 2.957) 28.653 16.450 ( 0.887 16.733 2.515) 16.944 16.902 ( 9.478 -4.750 14.461) 17.931 17.106 ( -15.125 -2.379 -12.681) 19.880 17.326 ( -12.247 -1.477 -17.183) 21.152 17.492 ( 5.193 -13.488 -5.068) 15.316 21.895 ( 7.173 6.519 18.296) 20.705 22.477 ( 4.713 -17.321 16.654) 24.487 23.056 ( -3.557 6.880 -16.921) 18.609 23.556 ( -2.381 -15.137 -14.721) 21.249 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 7.425 5.190 4.828) 10.265 2.207 ( 3.134 12.797 8.080) 15.456 2.295 ( -1.924 -4.793 -8.750) 10.160 2.564 ( -5.045 2.428 -3.490) 6.597 2.668 ( 1.457 -7.451 -0.279) 7.597 2.753 ( -0.723 -2.865 -2.694) 3.998 2.821 ( -0.199 -0.239 -2.813) 2.830 2.870 ( -0.029 -8.862 -6.699) 11.109 3.029 ( -6.236 -9.476 -8.960) 14.455 3.149 ( 2.293 -7.250 -3.125) 8.221 3.359 ( 1.802 1.670 -3.822) 4.543 3.565 ( -0.351 -2.755 -8.018) 8.486 3.685 ( -13.640 4.615 11.659) 18.528 3.793 ( -12.259 -0.463 4.972) 13.237 4.166 ( 6.925 18.916 7.043) 21.339 4.359 ( -0.242 19.524 9.143) 21.560 4.561 ( 9.069 2.934 6.938) 11.789 4.707 ( -5.733 -1.353 -12.040) 13.404 4.919 ( 7.205 3.639 0.460) 8.085 4.983 ( -3.137 -6.196 4.469) 8.259 5.239 ( 8.518 -1.774 6.863) 11.082 5.458 ( -0.937 8.417 -1.726) 8.644 5.491 ( 6.914 3.222 6.264) 9.871 5.681 ( 2.289 17.367 2.954) 17.765 5.975 ( -3.198 -1.373 -14.755) 15.160 6.135 ( -0.645 0.071 -12.817) 12.833 6.461 ( 8.261 -14.864 5.005) 17.726 6.553 ( 7.247 -11.380 4.517) 14.228 7.099 ( 15.041 6.302 4.777) 16.993 7.372 ( 2.313 -10.667 0.253) 10.918 7.456 ( 22.916 5.047 -5.036) 23.999 7.638 ( 22.686 -1.467 -1.818) 22.806 7.916 ( -3.295 19.743 20.029) 28.316 8.392 ( 15.578 -3.921 6.766) 17.431 8.610 ( 12.876 1.673 -2.358) 13.197 8.732 ( 1.380 -6.590 5.510) 8.700 8.927 ( 6.994 -8.830 -7.193) 13.365 8.997 ( -5.571 -10.106 25.130) 27.653 9.573 ( -1.053 12.983 -11.156) 17.150 9.704 ( -2.938 2.097 27.177) 27.416 10.010 ( -11.601 3.768 6.865) 13.997 10.480 ( -8.839 -3.201 -19.122) 21.308 10.871 ( -8.601 4.644 -11.158) 14.833 11.227 ( -9.483 -5.419 -17.384) 20.530 12.671 ( 0.365 3.875 6.938) 7.955 12.787 ( -2.681 1.093 7.284) 7.838 12.912 ( -0.294 -4.665 4.262) 6.326 12.949 ( -0.516 -3.676 6.520) 7.502 15.820 ( -10.796 5.676 5.259) 13.283 16.032 ( -9.503 -4.022 4.676) 11.329 16.281 ( -0.928 26.370 0.850) 26.400 16.461 ( 0.331 21.476 0.465) 21.483 16.732 ( -20.552 1.273 -19.200) 28.153 17.012 ( -18.838 1.218 -19.689) 27.277 17.126 ( 10.312 -8.863 12.717) 18.618 17.562 ( 2.250 -17.297 -2.494) 17.621 22.061 ( 9.305 5.377 14.635) 18.157 22.603 ( 8.059 -17.017 14.485) 23.756 22.955 ( -6.873 7.557 -13.708) 17.095 23.484 ( -5.134 -15.750 -12.045) 20.482 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 4.572 3.574 0.944) 5.879 2.207 ( 0.079 5.350 1.172) 5.477 2.325 ( 3.305 6.613 -0.735) 7.430 2.461 ( -4.557 -0.624 -3.013) 5.498 2.709 ( -1.019 -0.437 -1.695) 2.025 2.735 ( -0.510 -5.017 1.958) 5.410 2.793 ( 0.144 -5.658 -2.362) 6.133 2.878 ( 2.250 -3.382 -2.249) 4.643 2.953 ( -1.304 -9.272 -6.033) 11.138 3.174 ( -2.210 -11.103 -2.189) 11.531 3.312 ( -7.192 1.260 0.886) 7.355 3.432 ( -8.789 -1.432 -0.391) 8.913 3.597 ( 1.495 0.752 -9.024) 9.178 3.617 ( -2.674 0.319 -8.128) 8.562 4.083 ( -11.882 15.562 -11.839) 22.880 4.335 ( -20.652 2.397 -16.534) 26.564 4.538 ( 13.055 16.115 8.795) 22.527 4.844 ( 12.461 -0.335 5.550) 13.645 4.961 ( 1.636 -0.360 -0.578) 1.772 5.111 ( 7.089 3.789 3.260) 8.674 5.378 ( 4.958 -0.438 0.654) 5.020 5.437 ( -0.205 10.566 3.740) 11.210 5.594 ( 5.047 -4.135 6.348) 9.103 5.806 ( 7.082 17.067 5.334) 19.233 5.936 ( -0.218 -2.119 -6.437) 6.780 6.116 ( -1.285 5.764 -7.082) 9.221 6.594 ( 5.080 -10.164 1.987) 11.536 6.680 ( 4.931 -15.314 4.680) 16.755 7.363 ( 10.702 2.557 6.620) 12.841 7.471 ( 9.977 -1.376 9.530) 13.865 7.747 ( 1.956 4.701 14.955) 15.798 7.946 ( 12.227 16.043 1.754) 20.248 8.018 ( 12.786 -0.434 3.447) 13.250 8.620 ( 4.199 5.509 1.335) 7.054 8.736 ( -1.630 0.044 6.521) 6.722 8.844 ( 9.168 -8.272 1.241) 12.411 8.939 ( 5.873 -5.184 15.695) 17.541 9.180 ( 16.917 -11.998 -2.304) 20.867 9.535 ( -7.951 12.618 -10.728) 18.371 9.680 ( 2.611 3.674 17.507) 18.078 9.886 ( 4.808 -3.408 1.849) 6.176 10.266 ( -12.954 -9.000 -19.680) 25.221 10.657 ( -13.683 4.830 -10.680) 18.017 10.986 ( -15.586 -4.951 -16.818) 23.458 12.686 ( 1.321 4.416 7.503) 8.806 12.756 ( -0.752 2.063 6.979) 7.316 12.906 ( -0.270 -4.084 5.426) 6.797 12.934 ( -0.972 -3.856 6.344) 7.487 15.673 ( -3.655 6.077 -5.650) 9.067 15.897 ( -3.760 -4.113 -5.435) 7.784 16.208 ( -9.493 15.373 -9.814) 20.561 16.338 ( -17.562 3.871 -17.969) 25.422 16.467 ( 0.232 24.861 -0.668) 24.871 16.666 ( -14.576 11.193 -16.710) 24.839 17.314 ( 8.754 -13.043 8.756) 17.983 17.581 ( -0.333 -18.847 -0.420) 18.855 22.240 ( 9.223 5.862 9.117) 14.232 22.776 ( 7.851 -14.493 7.149) 17.966 22.800 ( -7.086 5.682 -6.333) 11.072 23.358 ( -7.963 -16.459 -7.876) 19.908 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 2.147 3.280 0.724) 3.986 2.249 ( -0.116 3.272 2.331) 4.019 2.370 ( 1.338 5.422 -2.645) 6.180 2.399 ( -1.958 2.752 -2.255) 4.061 2.678 ( -0.130 -0.630 0.674) 0.932 2.704 ( -2.135 -1.447 0.588) 2.646 2.852 ( 5.017 -4.350 2.679) 7.161 2.949 ( 6.031 -2.854 -0.658) 6.705 3.005 ( -5.407 -0.945 2.446) 6.010 3.020 ( -1.492 -12.462 -1.287) 12.617 3.213 ( -3.025 -5.358 -0.615) 6.183 3.278 ( -7.041 -6.071 -5.320) 10.711 3.673 ( 8.361 1.722 -18.737) 20.590 3.684 ( 6.633 1.554 -16.001) 17.391 3.851 ( -10.838 6.882 -17.050) 21.343 3.935 ( -18.294 1.493 -22.730) 29.216 4.781 ( 10.677 15.674 3.233) 19.239 4.934 ( -4.912 9.852 -1.686) 11.137 5.061 ( 9.181 1.214 6.226) 11.159 5.170 ( -1.425 1.476 3.812) 4.329 5.429 ( 1.377 3.967 3.053) 5.191 5.444 ( 0.034 5.490 4.730) 7.247 5.716 ( 7.006 -7.072 4.530) 10.937 5.828 ( -3.825 -4.959 1.269) 6.390 6.007 ( 5.382 15.094 0.661) 16.038 6.082 ( -2.481 12.698 -2.243) 13.131 6.670 ( 3.223 -9.693 1.061) 10.269 6.716 ( -0.974 -13.161 1.852) 13.326 7.526 ( 7.144 1.752 11.007) 13.238 7.621 ( -0.896 3.643 14.304) 14.787 7.808 ( 10.978 -2.164 18.867) 21.935 8.028 ( -7.773 -6.853 20.557) 23.021 8.244 ( 14.044 16.986 -9.718) 24.088 8.509 ( -12.434 17.150 -7.269) 22.395 8.828 ( 11.085 -0.591 8.324) 13.875 8.941 ( 2.000 -9.284 9.461) 13.405 9.119 ( 5.187 -1.240 11.017) 12.240 9.264 ( -12.554 4.913 5.578) 14.590 9.523 ( 16.345 -9.684 -5.882) 19.889 9.789 ( -2.208 0.879 -5.046) 5.578 10.053 ( 3.921 -4.726 -11.869) 13.363 10.187 ( 16.179 -5.668 -13.311) 21.704 10.360 ( -14.137 1.421 -9.655) 17.178 10.630 ( -20.992 -5.023 -15.330) 26.475 12.719 ( 1.785 4.123 7.400) 8.657 12.745 ( -0.809 3.061 6.979) 7.663 12.904 ( 0.153 -3.869 6.096) 7.222 12.915 ( -0.920 -3.947 6.249) 7.448 15.698 ( 6.431 5.953 -15.446) 17.759 15.903 ( -0.178 -0.832 -15.441) 15.465 15.919 ( -10.283 3.222 -19.375) 22.170 16.078 ( -11.886 -0.595 -16.391) 20.256 16.474 ( 0.629 26.742 -1.700) 26.804 16.504 ( -3.385 25.176 -5.308) 25.951 17.458 ( 6.122 -16.379 4.882) 18.154 17.548 ( -3.173 -18.430 1.875) 18.795 22.420 ( 9.568 7.203 2.552) 12.245 22.609 ( -9.981 8.141 -3.875) 13.450 22.981 ( 10.695 -17.086 4.072) 20.565 23.183 ( -10.021 -16.966 -2.353) 19.844 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 0.000 -9.287 -0.229) 9.290 2.064 ( 0.000 9.287 -0.229) 9.290 2.389 ( 0.000 -10.419 7.413) 12.787 2.389 ( 0.000 10.419 7.413) 12.787 2.699 ( 0.000 -1.083 -7.949) 8.023 2.699 ( 0.000 1.083 -7.949) 8.023 2.785 ( 0.000 -4.778 -7.372) 8.784 2.785 ( 0.000 4.778 -7.372) 8.784 3.198 ( 0.000 -4.772 -4.283) 6.412 3.198 ( 0.000 4.772 -4.283) 6.412 3.335 ( 0.000 -0.966 -4.258) 4.366 3.335 ( 0.000 0.966 -4.258) 4.366 4.022 ( 0.000 -1.525 5.841) 6.037 4.022 ( 0.000 1.525 5.841) 6.037 4.289 ( 0.000 -1.850 4.937) 5.273 4.289 ( 0.000 1.850 4.937) 5.273 4.672 ( 0.000 -18.413 26.832) 32.542 4.672 ( 0.000 18.413 26.832) 32.542 5.007 ( 0.000 -0.701 -2.454) 2.553 5.007 ( 0.000 0.701 -2.454) 2.553 5.255 ( 0.000 -4.555 8.891) 9.990 5.255 ( 0.000 4.555 8.891) 9.990 5.607 ( 0.000 -23.278 2.267) 23.388 5.607 ( 0.000 23.278 2.267) 23.388 6.140 ( 0.000 -2.324 -15.467) 15.641 6.140 ( 0.000 2.324 -15.467) 15.641 6.190 ( 0.000 -1.109 -8.802) 8.871 6.190 ( 0.000 1.109 -8.802) 8.871 6.838 ( 0.000 -2.073 -0.861) 2.245 6.838 ( 0.000 2.073 -0.861) 2.245 7.071 ( 0.000 -8.776 -2.826) 9.220 7.071 ( 0.000 8.776 -2.826) 9.220 8.001 ( 0.000 -2.646 6.799) 7.296 8.001 ( 0.000 2.646 6.799) 7.296 8.540 ( 0.000 -10.379 -8.059) 13.141 8.540 ( 0.000 10.379 -8.059) 13.141 8.929 ( 0.000 -13.422 26.126) 29.372 8.929 ( 0.000 13.422 26.126) 29.372 9.784 ( 0.000 -1.348 21.456) 21.498 9.784 ( 0.000 1.348 21.456) 21.498 10.500 ( 0.000 -12.114 -13.522) 18.154 10.500 ( 0.000 12.114 -13.522) 18.154 11.221 ( 0.000 -10.870 -14.033) 17.750 11.221 ( 0.000 10.870 -14.033) 17.750 12.765 ( 0.000 -6.306 3.140) 7.044 12.765 ( 0.000 6.306 3.140) 7.044 12.909 ( 0.000 -1.443 7.886) 8.016 12.909 ( 0.000 1.443 7.886) 8.016 16.275 ( 0.000 -3.862 18.026) 18.435 16.275 ( 0.000 3.862 18.026) 18.435 16.664 ( 0.000 -8.014 9.000) 12.051 16.664 ( 0.000 8.014 9.000) 12.051 16.888 ( 0.000 -26.744 0.570) 26.750 16.888 ( 0.000 26.744 0.570) 26.750 17.400 ( 0.000 -2.512 -15.427) 15.630 17.400 ( 0.000 2.512 -15.427) 15.630 22.070 ( 0.000 -16.103 17.752) 23.967 22.070 ( 0.000 16.103 17.752) 23.967 23.287 ( 0.000 -12.457 -17.211) 21.246 23.287 ( 0.000 12.457 -17.211) 21.246 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 3.970 -9.210 -1.693) 10.171 2.109 ( 3.970 9.210 -1.693) 10.171 2.409 ( 2.027 -10.909 6.652) 12.937 2.409 ( 2.027 10.909 6.652) 12.937 2.713 ( 0.819 -1.109 -5.853) 6.013 2.713 ( 0.819 1.109 -5.853) 6.013 2.803 ( 0.873 -4.207 -9.292) 10.237 2.803 ( 0.873 4.207 -9.292) 10.237 3.068 ( -8.727 -7.089 -2.950) 11.624 3.068 ( -8.727 7.089 -2.950) 11.624 3.411 ( 4.348 -6.982 -5.219) 9.741 3.411 ( 4.348 6.982 -5.219) 9.741 3.981 ( -6.331 -2.032 9.812) 11.853 3.981 ( -6.331 2.032 9.812) 11.853 4.298 ( 2.949 -5.998 4.635) 8.134 4.298 ( 2.949 5.998 4.635) 8.134 4.694 ( 3.876 -14.405 18.311) 23.618 4.694 ( 3.876 14.405 18.311) 23.618 4.975 ( -5.996 -6.696 -2.631) 9.365 4.975 ( -5.996 6.696 -2.631) 9.365 5.231 ( 1.138 -10.479 7.399) 12.879 5.231 ( 1.138 10.479 7.399) 12.879 5.719 ( 9.082 -16.809 1.721) 19.183 5.719 ( 9.082 16.809 1.721) 19.183 6.067 ( -6.059 -2.178 -12.016) 13.632 6.067 ( -6.059 2.178 -12.016) 13.632 6.240 ( 4.448 -5.566 -6.621) 9.726 6.240 ( 4.448 5.566 -6.621) 9.726 6.991 ( 12.314 -7.282 -0.862) 14.332 6.991 ( 12.314 7.282 -0.862) 14.332 7.184 ( 13.426 -1.357 -3.511) 13.944 7.184 ( 13.426 1.357 -3.511) 13.944 8.076 ( 7.324 -2.276 8.729) 11.620 8.076 ( 7.324 2.276 8.729) 11.620 8.580 ( 4.202 -10.238 -7.340) 13.280 8.580 ( 4.202 10.238 -7.340) 13.280 8.875 ( -5.085 -12.836 24.263) 27.916 8.875 ( -5.085 12.836 24.263) 27.916 9.763 ( -2.058 -1.809 20.369) 20.553 9.763 ( -2.058 1.809 20.369) 20.553 10.431 ( -7.095 -13.206 -13.667) 20.286 10.431 ( -7.095 13.206 -13.667) 20.286 11.185 ( -3.856 -10.649 -14.259) 18.209 11.185 ( -3.856 10.649 -14.259) 18.209 12.764 ( -0.134 -5.804 3.236) 6.646 12.764 ( -0.134 5.804 3.236) 6.646 12.897 ( -0.971 -2.009 8.232) 8.529 12.897 ( -0.971 2.009 8.232) 8.529 16.147 ( -10.737 -4.440 13.824) 18.058 16.147 ( -10.737 4.440 13.824) 18.058 16.737 ( 5.234 -9.851 7.825) 13.626 16.737 ( 5.234 9.851 7.825) 13.626 16.862 ( -3.005 -21.662 -0.884) 21.887 16.862 ( -3.005 21.662 -0.884) 21.887 17.316 ( -7.714 -1.872 -14.692) 16.699 17.316 ( -7.714 1.872 -14.692) 16.699 22.126 ( 5.540 -15.365 17.111) 23.655 22.126 ( 5.540 15.365 17.111) 23.655 23.259 ( -2.954 -12.762 -16.099) 20.755 23.259 ( -2.954 12.762 -16.099) 20.755 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 3.795 -6.275 -3.163) 7.986 2.187 ( 3.795 6.275 -3.163) 7.986 2.468 ( 3.975 -11.618 4.229) 12.987 2.468 ( 3.975 11.618 4.229) 12.987 2.689 ( -5.315 -8.121 -3.324) 10.259 2.689 ( -5.315 8.121 -3.324) 10.259 2.761 ( -2.755 -4.024 -5.797) 7.575 2.761 ( -2.755 4.024 -5.797) 7.575 2.985 ( 0.135 -5.781 -5.611) 8.057 2.985 ( 0.135 5.781 -5.611) 8.057 3.464 ( 0.590 -6.237 -5.851) 8.572 3.464 ( 0.590 6.237 -5.851) 8.572 3.761 ( -13.589 -2.666 9.290) 16.676 3.761 ( -13.589 2.666 9.290) 16.676 4.455 ( 11.189 -7.830 0.742) 13.676 4.455 ( 11.189 7.830 0.742) 13.676 4.705 ( -12.168 -2.304 -1.564) 12.483 4.705 ( -12.168 2.304 -1.564) 12.483 4.885 ( 7.357 -4.680 8.404) 12.110 4.885 ( 7.357 4.680 8.404) 12.110 5.316 ( 6.019 -8.292 3.347) 10.779 5.316 ( 6.019 8.292 3.347) 10.779 5.817 ( -2.676 -13.627 -6.989) 15.547 5.817 ( -2.676 13.627 -6.989) 15.547 6.034 ( 6.611 -14.472 2.277) 16.073 6.034 ( 6.611 14.472 2.277) 16.073 6.338 ( 5.240 -8.067 -2.088) 9.844 6.338 ( 5.240 8.067 -2.088) 9.844 7.206 ( 10.655 -5.609 3.527) 12.548 7.206 ( 10.655 5.609 3.527) 12.548 7.571 ( 22.163 -5.099 -4.630) 23.208 7.571 ( 22.163 5.099 -4.630) 23.208 8.255 ( 10.293 -11.085 11.179) 18.809 8.255 ( 10.293 11.085 11.179) 18.809 8.678 ( 2.789 -2.896 4.004) 5.674 8.678 ( 2.789 2.896 4.004) 5.674 8.800 ( 2.134 -3.357 10.100) 10.855 8.800 ( 2.134 3.357 10.100) 10.855 9.721 ( -1.441 -1.998 15.650) 15.843 9.721 ( -1.441 1.998 15.650) 15.843 10.232 ( -13.252 -15.710 -14.058) 24.901 10.232 ( -13.252 15.710 -14.058) 24.901 11.066 ( -8.792 -10.069 -14.472) 19.701 11.066 ( -8.792 10.069 -14.472) 19.701 12.762 ( 0.048 -4.335 4.024) 5.915 12.762 ( 0.048 4.335 4.024) 5.915 12.879 ( -0.897 -2.395 8.355) 8.737 12.879 ( -0.897 2.395 8.355) 8.737 15.935 ( -10.075 -5.335 5.056) 12.471 15.935 ( -10.075 5.335 5.056) 12.471 16.683 ( -13.007 -8.458 -11.397) 19.251 16.683 ( -13.007 8.458 -11.397) 19.251 16.870 ( 4.754 -16.146 6.197) 17.936 16.870 ( 4.754 16.146 6.197) 17.936 17.173 ( -5.517 -16.799 -8.356) 19.557 17.173 ( -5.517 16.799 -8.356) 19.557 22.266 ( 8.588 -14.250 14.617) 22.146 22.266 ( 8.588 14.250 14.617) 22.146 23.173 ( -5.990 -13.519 -13.082) 19.743 23.173 ( -5.990 13.519 -13.082) 19.743 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 3.116 -1.897 -2.383) 4.357 2.254 ( 3.116 1.897 -2.383) 4.357 2.494 ( -3.866 -2.989 0.534) 4.915 2.494 ( -3.866 2.989 0.534) 4.915 2.638 ( 4.739 -5.140 0.364) 7.001 2.638 ( 4.739 5.140 0.364) 7.001 2.740 ( -0.223 -3.874 -3.952) 5.539 2.740 ( -0.223 3.874 -3.952) 5.539 2.982 ( -1.639 -6.860 -1.721) 7.260 2.982 ( -1.639 6.860 -1.721) 7.260 3.374 ( -9.732 -3.763 -0.014) 10.434 3.374 ( -9.732 3.763 -0.014) 10.434 3.612 ( -0.207 -0.609 -7.951) 7.977 3.612 ( -0.207 0.609 -7.951) 7.977 4.305 ( -20.290 -5.918 -18.238) 27.916 4.305 ( -20.290 5.918 -18.238) 27.916 4.766 ( 13.627 -6.112 7.179) 16.571 4.766 ( 13.627 6.112 7.179) 16.571 5.066 ( 8.128 -7.681 6.337) 12.854 5.066 ( 8.128 7.681 6.337) 12.854 5.425 ( 4.970 -6.274 1.559) 8.154 5.425 ( 4.970 6.274 1.559) 8.154 5.723 ( -4.867 -11.907 -2.121) 13.037 5.723 ( -4.867 11.907 -2.121) 13.037 6.212 ( 9.313 -11.143 2.492) 14.734 6.212 ( 9.313 11.143 2.492) 14.734 6.422 ( 2.944 -7.498 1.176) 8.141 6.422 ( 2.944 7.498 1.176) 8.141 7.416 ( 11.068 -3.649 9.514) 15.044 7.416 ( 11.068 3.649 9.514) 15.044 7.871 ( 6.003 -7.660 9.883) 13.870 7.871 ( 6.003 7.660 9.883) 13.870 8.430 ( 8.235 -21.208 4.060) 23.110 8.430 ( 8.235 21.208 4.060) 23.110 8.736 ( 6.617 -0.673 6.539) 9.327 8.736 ( 6.617 0.673 6.539) 9.327 8.972 ( 11.094 -6.241 4.085) 13.369 8.972 ( 11.094 6.241 4.085) 13.369 9.766 ( 8.293 -3.692 4.098) 9.960 9.766 ( 8.293 3.692 4.098) 9.960 9.932 ( -17.410 -18.384 -14.141) 29.001 9.932 ( -17.410 18.384 -14.141) 29.001 10.838 ( -14.992 -9.218 -13.943) 22.453 10.838 ( -14.992 9.218 -13.943) 22.453 12.772 ( 1.079 -2.785 5.332) 6.112 12.772 ( 1.079 2.785 5.332) 6.112 12.861 ( -1.024 -1.950 7.812) 8.116 12.861 ( -1.024 1.950 7.812) 8.116 15.796 ( -3.624 -5.627 -5.509) 8.669 15.796 ( -3.624 5.627 -5.509) 8.669 16.355 ( -18.870 -2.603 -19.761) 27.447 16.355 ( -18.870 2.603 -19.761) 27.447 16.958 ( 4.150 -21.414 3.914) 22.160 16.958 ( 4.150 21.414 3.914) 22.160 17.108 ( -2.005 -25.918 -2.479) 26.113 17.108 ( -2.005 25.918 -2.479) 26.113 22.446 ( 9.893 -13.998 9.781) 19.735 22.446 ( 9.893 13.998 9.781) 19.735 23.030 ( -8.674 -14.302 -8.664) 18.838 23.030 ( -8.674 14.302 -8.664) 18.838 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 3.771 -3.706 -0.546) 5.316 2.316 ( 3.771 3.706 -0.546) 5.316 2.403 ( -4.909 -4.663 0.480) 6.788 2.403 ( -4.909 4.663 0.480) 6.788 2.731 ( 2.695 -5.648 0.834) 6.313 2.731 ( 2.695 5.648 0.834) 6.313 2.766 ( 0.810 -10.005 0.564) 10.054 2.766 ( 0.810 10.005 0.564) 10.054 2.981 ( 5.645 -3.211 -0.287) 6.501 2.981 ( 5.645 3.211 -0.287) 6.501 3.173 ( -11.049 -2.716 -1.027) 11.424 3.173 ( -11.049 2.716 -1.027) 11.424 3.695 ( 8.326 -0.348 -18.330) 20.136 3.695 ( 8.326 0.348 -18.330) 20.136 3.935 ( -16.564 -1.795 -21.441) 27.153 3.935 ( -16.564 1.795 -21.441) 27.153 5.000 ( 9.961 -4.709 4.230) 11.802 5.000 ( 9.961 4.709 4.230) 11.802 5.128 ( -2.367 -5.042 3.055) 6.353 5.128 ( -2.367 5.042 3.055) 6.353 5.527 ( 6.036 -7.450 2.967) 10.037 5.527 ( 6.036 7.450 2.967) 10.037 5.636 ( -4.807 -10.111 1.990) 11.371 5.636 ( -4.807 10.111 1.990) 11.371 6.362 ( 6.038 -6.220 1.410) 8.783 6.362 ( 6.038 6.220 1.410) 8.783 6.437 ( -1.576 -5.778 1.724) 6.233 6.437 ( -1.576 5.778 1.724) 6.233 7.629 ( 10.919 -7.249 15.576) 20.356 7.629 ( 10.919 7.249 15.576) 20.356 7.822 ( -8.210 -10.193 18.723) 22.844 7.822 ( -8.210 10.193 18.723) 22.844 8.622 ( 10.936 -16.451 2.744) 19.944 8.622 ( 10.936 16.451 2.744) 19.944 8.787 ( -4.155 -9.391 6.576) 12.195 8.787 ( -4.155 9.391 6.576) 12.195 9.223 ( 16.321 -12.152 -2.763) 20.535 9.223 ( 16.321 12.152 -2.763) 20.535 9.574 ( -19.062 -17.515 -10.234) 27.837 9.574 ( -19.062 17.515 -10.234) 27.837 10.071 ( 21.128 -6.129 -8.246) 23.493 10.071 ( 21.128 6.129 -8.246) 23.493 10.490 ( -20.762 -8.056 -12.260) 25.422 10.490 ( -20.762 8.056 -12.260) 25.422 12.802 ( 1.824 -1.633 6.394) 6.847 12.802 ( 1.824 1.633 6.394) 6.847 12.836 ( -1.607 -1.340 7.153) 7.452 12.836 ( -1.607 1.340 7.153) 7.452 15.815 ( 5.863 -5.247 -14.820) 16.779 15.815 ( 5.863 5.247 -14.820) 16.779 16.019 ( -14.839 -4.259 -20.198) 25.423 16.019 ( -14.839 4.259 -20.198) 25.423 17.027 ( 2.955 -25.090 1.765) 25.325 17.027 ( 2.955 25.090 1.765) 25.325 17.073 ( -1.924 -27.013 -0.040) 27.082 17.073 ( -1.924 27.013 -0.040) 27.082 22.644 ( 10.515 -14.394 3.406) 18.148 22.644 ( 10.515 14.394 3.406) 18.148 22.846 ( -10.260 -14.640 -3.067) 18.139 22.846 ( -10.260 14.640 -3.067) 18.139 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 0.000 0.000 13.267) 13.267 2.233 ( 0.000 0.000 19.843) 19.843 2.277 ( 0.000 0.000 -8.215) 8.215 2.557 ( 0.000 0.000 -13.326) 13.326 2.703 ( 0.000 0.000 4.777) 4.777 2.893 ( 0.000 0.000 6.341) 6.341 2.910 ( 0.000 0.000 -14.121) 14.121 3.069 ( 0.000 0.000 1.982) 1.982 3.082 ( 0.000 0.000 -12.315) 12.315 3.097 ( 0.000 0.000 -1.362) 1.362 3.445 ( 0.000 0.000 4.810) 4.810 3.529 ( 0.000 0.000 -3.234) 3.234 3.765 ( 0.000 0.000 3.109) 3.109 3.814 ( 0.000 0.000 -0.220) 0.220 4.190 ( 0.000 0.000 17.234) 17.234 4.259 ( 0.000 0.000 13.600) 13.600 4.316 ( 0.000 0.000 3.101) 3.101 4.473 ( 0.000 0.000 -10.823) 10.823 4.672 ( 0.000 0.000 21.327) 21.327 5.110 ( 0.000 0.000 -9.046) 9.046 5.244 ( 0.000 0.000 13.616) 13.616 5.335 ( 0.000 0.000 2.455) 2.455 5.557 ( 0.000 0.000 -21.116) 21.116 5.608 ( 0.000 0.000 14.875) 14.875 5.680 ( 0.000 0.000 -24.530) 24.530 5.852 ( 0.000 0.000 -9.961) 9.961 6.400 ( 0.000 0.000 2.161) 2.161 6.413 ( 0.000 0.000 1.065) 1.065 6.804 ( 0.000 0.000 2.373) 2.373 6.816 ( 0.000 0.000 0.810) 0.810 7.662 ( 0.000 0.000 16.066) 16.066 7.895 ( 0.000 0.000 23.576) 23.576 7.926 ( 0.000 0.000 -11.206) 11.206 8.330 ( 0.000 0.000 -20.301) 20.301 8.378 ( 0.000 0.000 14.585) 14.585 8.621 ( 0.000 0.000 2.088) 2.088 8.680 ( 0.000 0.000 -16.558) 16.558 8.734 ( 0.000 0.000 -9.358) 9.358 9.590 ( 0.000 0.000 17.522) 17.522 9.914 ( 0.000 0.000 -15.593) 15.593 10.448 ( 0.000 0.000 34.492) 34.492 10.555 ( 0.000 0.000 16.667) 16.667 10.866 ( 0.000 0.000 -15.290) 15.290 11.052 ( 0.000 0.000 -27.504) 27.504 12.815 ( 0.000 0.000 8.398) 8.398 12.956 ( 0.000 0.000 -5.895) 5.895 13.077 ( 0.000 0.000 3.689) 3.689 13.107 ( 0.000 0.000 0.521) 0.521 15.667 ( 0.000 0.000 5.653) 5.653 15.770 ( 0.000 0.000 -4.817) 4.817 16.545 ( 0.000 0.000 20.597) 20.597 16.779 ( 0.000 0.000 19.798) 19.798 16.934 ( 0.000 0.000 -18.344) 18.344 17.159 ( 0.000 0.000 -18.946) 18.946 17.239 ( 0.000 0.000 17.234) 17.234 17.527 ( 0.000 0.000 -11.861) 11.861 22.176 ( 0.000 0.000 21.974) 21.974 22.599 ( 0.000 0.000 -21.237) 21.237 23.239 ( 0.000 0.000 20.878) 20.878 23.633 ( 0.000 0.000 -19.110) 19.110 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 2.954 0.000 12.915) 13.249 2.261 ( 2.761 0.000 19.219) 19.417 2.318 ( 3.253 0.000 -8.939) 9.512 2.580 ( 1.945 0.000 -13.339) 13.480 2.689 ( -1.397 0.000 4.746) 4.947 2.887 ( -2.398 0.000 -12.458) 12.687 2.907 ( 1.419 0.000 4.900) 5.101 3.034 ( -3.299 0.000 2.384) 4.070 3.068 ( -1.410 0.000 -10.889) 10.980 3.090 ( -0.094 0.000 -4.617) 4.618 3.445 ( -0.408 0.000 5.364) 5.380 3.547 ( 1.108 0.000 -4.797) 4.924 3.644 ( -7.134 0.000 6.764) 9.832 3.765 ( -5.551 0.000 -5.382) 7.732 4.112 ( -8.828 0.000 19.933) 21.801 4.318 ( 3.626 0.000 21.561) 21.864 4.446 ( 10.551 0.000 1.714) 10.690 4.465 ( -2.512 0.000 -15.382) 15.586 4.661 ( 0.625 0.000 13.284) 13.298 5.078 ( -4.876 0.000 -19.761) 20.354 5.259 ( 1.824 0.000 18.844) 18.932 5.412 ( 6.903 0.000 6.283) 9.334 5.426 ( -12.070 0.000 8.556) 14.795 5.545 ( -18.433 0.000 -3.828) 18.826 5.641 ( 7.297 0.000 -18.061) 19.479 5.728 ( 5.890 0.000 -21.787) 22.569 6.670 ( 20.654 0.000 7.585) 22.003 6.769 ( 26.130 0.000 -2.620) 26.261 6.884 ( 7.867 0.000 3.981) 8.817 6.914 ( 9.623 0.000 0.459) 9.634 7.629 ( -2.143 0.000 14.356) 14.515 7.736 ( -11.559 0.000 21.148) 24.101 7.888 ( -3.943 0.000 -12.773) 13.368 8.156 ( -13.750 0.000 -21.070) 25.160 8.528 ( 11.638 0.000 14.794) 18.823 8.708 ( 9.959 0.000 4.782) 11.048 8.831 ( 11.542 0.000 -16.202) 19.893 8.844 ( 9.758 0.000 -8.828) 13.159 9.579 ( -1.130 0.000 17.756) 17.791 9.901 ( -1.259 0.000 -15.167) 15.220 10.414 ( -3.524 0.000 33.905) 34.087 10.496 ( -6.013 0.000 16.975) 18.008 10.816 ( -5.087 0.000 -15.995) 16.785 11.009 ( -4.466 0.000 -27.148) 27.513 12.801 ( -1.444 0.000 7.903) 8.034 12.922 ( -3.347 0.000 -3.885) 5.128 13.073 ( -0.163 0.000 3.141) 3.145 13.103 ( -0.360 0.000 0.501) 0.617 15.666 ( -0.191 0.000 5.127) 5.131 15.757 ( -1.456 0.000 -4.112) 4.362 16.332 ( -18.064 0.000 18.694) 25.995 16.629 ( -14.380 0.000 18.432) 23.378 16.712 ( -19.605 0.000 -19.757) 27.834 17.003 ( -15.457 0.000 -19.551) 24.923 17.378 ( 11.385 0.000 16.996) 20.457 17.649 ( 9.175 0.000 -10.819) 14.186 22.219 ( 3.738 0.000 19.119) 19.481 22.593 ( -0.898 0.000 -19.085) 19.106 23.265 ( 2.590 0.000 19.695) 19.865 23.635 ( 0.143 0.000 -17.922) 17.923 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -1.052 0.000 11.967) 12.013 2.330 ( 4.057 0.000 16.421) 16.915 2.350 ( -1.109 0.000 -10.095) 10.155 2.609 ( 0.396 0.000 -12.082) 12.088 2.657 ( -1.448 0.000 5.584) 5.769 2.839 ( -1.825 0.000 -9.183) 9.362 2.950 ( 3.126 0.000 0.758) 3.217 2.976 ( -1.416 0.000 3.538) 3.811 3.032 ( -1.898 0.000 -7.161) 7.408 3.112 ( 2.413 0.000 -10.468) 10.742 3.413 ( -3.045 0.000 5.801) 6.552 3.527 ( -4.358 0.000 -5.333) 6.887 3.554 ( -2.601 0.000 4.426) 5.134 3.645 ( -6.571 0.000 -4.977) 8.243 3.855 ( -15.834 0.000 19.270) 24.941 4.273 ( -18.322 0.000 -23.240) 29.594 4.329 ( -2.214 0.000 27.420) 27.509 4.640 ( 7.962 0.000 -1.500) 8.102 4.747 ( 7.923 0.000 2.260) 8.239 4.934 ( -8.359 0.000 -19.477) 21.195 5.283 ( -0.212 0.000 8.699) 8.701 5.323 ( 4.694 0.000 15.566) 16.258 5.391 ( 1.069 0.000 -1.921) 2.198 5.509 ( 3.094 0.000 0.677) 3.167 5.816 ( 9.838 0.000 -8.531) 13.022 5.886 ( 8.565 0.000 -12.205) 14.910 7.007 ( -0.696 0.000 13.624) 13.642 7.039 ( 15.746 0.000 13.495) 20.738 7.136 ( 11.646 0.000 -0.325) 11.650 7.249 ( 21.540 0.000 -7.007) 22.651 7.630 ( 3.244 0.000 9.939) 10.455 7.658 ( 9.046 0.000 5.612) 10.645 7.802 ( -3.582 0.000 -9.163) 9.838 7.894 ( -10.840 0.000 -17.639) 20.704 8.741 ( 9.345 0.000 14.409) 17.174 8.997 ( 19.178 0.000 2.909) 19.397 9.045 ( 9.540 0.000 -16.267) 18.859 9.069 ( 13.182 0.000 -4.313) 13.869 9.550 ( -1.501 0.000 18.324) 18.386 9.872 ( -1.372 0.000 -14.167) 14.233 10.313 ( -6.898 0.000 31.912) 32.649 10.334 ( -10.333 0.000 17.565) 20.379 10.677 ( -9.100 0.000 -17.663) 19.869 10.878 ( -9.231 0.000 -25.866) 27.464 12.764 ( -2.081 0.000 6.879) 7.187 12.848 ( -3.649 0.000 -1.085) 3.806 13.073 ( 0.021 0.000 2.542) 2.543 13.096 ( -0.343 0.000 0.734) 0.810 15.654 ( -1.589 0.000 3.265) 3.631 15.694 ( -6.222 0.000 0.130) 6.223 15.980 ( -15.218 0.000 10.450) 18.461 16.281 ( -23.233 0.000 -19.185) 30.130 16.294 ( -18.597 0.000 13.320) 22.875 16.618 ( -22.768 0.000 -19.567) 30.021 17.597 ( 10.601 0.000 13.694) 17.318 17.810 ( 6.969 0.000 -8.158) 10.729 22.287 ( 2.717 0.000 13.176) 13.454 22.555 ( -3.200 0.000 -14.254) 14.609 23.331 ( 4.099 0.000 16.216) 16.726 23.633 ( -0.493 0.000 -14.539) 14.547 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -4.066 0.000 7.810) 8.805 2.257 ( -7.780 0.000 -10.826) 13.332 2.399 ( 2.693 0.000 9.792) 10.156 2.576 ( -3.812 0.000 -8.767) 9.560 2.661 ( 2.155 0.000 9.184) 9.433 2.830 ( 0.659 0.000 0.760) 1.006 2.995 ( 0.467 0.000 0.197) 0.506 3.000 ( 3.270 0.000 -2.167) 3.923 3.047 ( 4.394 0.000 -4.563) 6.335 3.168 ( 2.587 0.000 -12.795) 13.054 3.327 ( -6.736 0.000 6.251) 9.189 3.377 ( -7.243 0.000 0.704) 7.277 3.505 ( -4.151 0.000 -0.199) 4.156 3.532 ( -3.385 0.000 -2.668) 4.310 3.603 ( -9.862 0.000 3.535) 10.476 3.858 ( -21.620 0.000 -20.034) 29.476 4.268 ( -2.986 0.000 17.325) 17.581 4.615 ( -10.598 0.000 -16.540) 19.644 4.888 ( 7.477 0.000 4.050) 8.503 4.949 ( 8.239 0.000 -2.707) 8.673 5.373 ( 6.855 0.000 6.957) 9.767 5.431 ( 6.223 0.000 9.612) 11.450 5.466 ( 4.557 0.000 -2.281) 5.096 5.560 ( 2.504 0.000 -1.256) 2.801 5.969 ( 5.441 0.000 -1.940) 5.777 6.011 ( 3.896 0.000 -5.417) 6.673 6.879 ( -7.925 0.000 13.967) 16.059 7.184 ( -9.029 0.000 -14.880) 17.406 7.256 ( 7.614 0.000 12.999) 15.065 7.495 ( 2.557 0.000 -11.006) 11.299 7.757 ( 9.034 0.000 7.438) 11.702 7.829 ( 6.731 0.000 -0.341) 6.739 7.911 ( 15.192 0.000 5.084) 16.020 8.050 ( 25.655 0.000 -7.085) 26.615 8.843 ( -0.078 0.000 13.994) 13.995 9.147 ( -0.474 0.000 -15.634) 15.642 9.341 ( 15.079 0.000 4.179) 15.647 9.420 ( 23.737 0.000 -3.927) 24.060 9.548 ( 2.282 0.000 18.655) 18.794 9.878 ( 2.808 0.000 -13.085) 13.382 10.116 ( -11.618 0.000 16.703) 20.346 10.150 ( -9.977 0.000 27.871) 29.602 10.477 ( -11.419 0.000 -19.234) 22.368 10.651 ( -14.395 0.000 -23.160) 27.269 12.734 ( -0.740 0.000 5.639) 5.688 12.793 ( -2.127 0.000 -0.079) 2.129 13.073 ( -0.023 0.000 2.627) 2.627 13.089 ( -0.408 0.000 1.245) 1.311 15.475 ( -12.156 0.000 4.156) 12.847 15.595 ( -7.592 0.000 -4.933) 9.054 15.817 ( -3.672 0.000 0.292) 3.684 15.903 ( -12.901 0.000 -10.612) 16.705 15.974 ( -13.383 0.000 5.149) 14.339 16.190 ( -20.111 0.000 -16.825) 26.221 17.774 ( 7.662 0.000 9.134) 11.922 17.909 ( 3.300 0.000 -4.706) 5.748 22.318 ( 0.808 0.000 7.094) 7.140 22.474 ( -4.795 0.000 -8.986) 10.185 23.415 ( 4.415 0.000 10.773) 11.642 23.612 ( -1.770 0.000 -9.371) 9.537 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.351 0.000 -0.467) 0.584 2.104 ( -6.749 0.000 -7.847) 10.350 2.433 ( 1.476 0.000 1.355) 2.004 2.487 ( -4.360 0.000 -4.313) 6.132 2.734 ( 4.885 0.000 13.305) 14.173 2.818 ( -2.876 0.000 12.284) 12.616 3.021 ( 2.237 0.000 4.772) 5.271 3.078 ( -2.862 0.000 1.093) 3.063 3.087 ( 5.482 0.000 -12.463) 13.616 3.176 ( -2.517 0.000 -14.887) 15.099 3.265 ( 4.489 0.000 1.434) 4.713 3.351 ( 3.443 0.000 -6.441) 7.303 3.425 ( -9.165 0.000 -3.295) 9.740 3.447 ( -0.105 0.000 2.391) 2.393 3.484 ( -2.676 0.000 -0.783) 2.788 3.514 ( -13.023 0.000 -12.508) 18.057 4.261 ( 3.197 0.000 1.456) 3.513 4.397 ( -10.253 0.000 -11.591) 15.475 5.024 ( 5.279 0.000 3.820) 6.516 5.059 ( 2.105 0.000 0.230) 2.117 5.486 ( 4.157 0.000 3.179) 5.233 5.521 ( 0.623 0.000 -0.277) 0.682 5.547 ( 5.088 0.000 5.845) 7.749 5.596 ( 0.310 0.000 1.785) 1.812 6.028 ( 1.227 0.000 -0.434) 1.301 6.041 ( -0.130 0.000 -1.495) 1.501 6.808 ( 1.763 0.000 0.198) 1.774 6.948 ( -11.771 0.000 -13.080) 17.597 7.372 ( 5.071 0.000 6.060) 7.902 7.460 ( -3.893 0.000 -2.647) 4.707 7.911 ( 5.491 0.000 4.819) 7.305 7.940 ( 2.673 0.000 1.988) 3.332 8.291 ( 20.293 0.000 14.630) 25.017 8.494 ( 11.942 0.000 0.192) 11.944 8.758 ( -1.430 0.000 4.136) 4.376 9.001 ( -14.086 0.000 -14.370) 20.123 9.635 ( 15.027 0.000 13.728) 20.354 9.659 ( 8.833 0.000 19.339) 21.261 9.845 ( 9.038 0.000 2.740) 9.445 9.855 ( -10.212 0.000 17.679) 20.416 9.967 ( 1.529 0.000 7.336) 7.494 10.040 ( 8.406 0.000 -16.391) 18.421 10.249 ( -11.890 0.000 -19.564) 22.893 10.323 ( -19.523 0.000 -18.528) 26.915 12.737 ( 0.881 0.000 3.532) 3.640 12.760 ( -1.403 0.000 1.245) 1.876 13.074 ( 0.187 0.000 2.525) 2.532 13.080 ( -0.454 0.000 1.924) 1.977 15.323 ( -2.371 0.000 -3.197) 3.981 15.395 ( -9.229 0.000 -9.992) 13.602 15.780 ( -0.403 0.000 -0.162) 0.434 15.793 ( -1.806 0.000 -1.569) 2.392 15.814 ( -2.490 0.000 -3.599) 4.376 15.889 ( -10.223 0.000 -11.238) 15.192 17.890 ( 4.239 0.000 4.191) 5.961 17.936 ( -0.523 0.000 -0.550) 0.759 22.336 ( 1.506 0.000 1.445) 2.087 22.387 ( -3.814 0.000 -3.847) 5.417 23.497 ( 3.980 0.000 4.076) 5.697 23.565 ( -3.060 0.000 -2.937) 4.242 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 -7.599 11.435) 13.730 2.126 ( 0.000 3.926 9.371) 10.160 2.381 ( 0.000 -10.190 -6.488) 12.080 2.411 ( 0.000 7.113 -5.898) 9.240 2.752 ( 0.000 -5.492 6.260) 8.327 2.848 ( 0.000 2.038 -2.389) 3.140 2.861 ( 0.000 -7.456 -4.497) 8.707 2.905 ( 0.000 -8.619 -9.236) 12.633 3.015 ( 0.000 -1.578 3.164) 3.536 3.116 ( 0.000 0.246 -6.568) 6.572 3.476 ( 0.000 -5.269 1.134) 5.389 3.513 ( 0.000 -1.207 -2.608) 2.874 3.846 ( 0.000 8.400 6.418) 10.571 3.957 ( 0.000 7.727 -2.821) 8.226 4.255 ( 0.000 5.360 15.925) 16.803 4.388 ( 0.000 6.737 5.721) 8.839 4.399 ( 0.000 15.722 11.584) 19.529 4.540 ( 0.000 6.951 -9.966) 12.150 4.743 ( 0.000 6.453 21.891) 22.822 5.150 ( 0.000 4.099 -6.399) 7.599 5.297 ( 0.000 4.958 13.165) 14.067 5.302 ( 0.000 -2.593 2.328) 3.484 5.538 ( 0.000 -1.869 -18.998) 19.089 5.560 ( 0.000 -3.921 10.975) 11.654 5.696 ( 0.000 1.622 -22.933) 22.990 5.818 ( 0.000 -3.120 -11.470) 11.887 6.469 ( 0.000 6.259 1.765) 6.503 6.475 ( 0.000 4.546 1.388) 4.753 6.685 ( 0.000 -11.246 4.010) 11.939 6.733 ( 0.000 -7.282 -1.123) 7.368 7.402 ( 0.000 -14.064 12.432) 18.771 7.651 ( 0.000 -19.404 -12.769) 23.228 8.130 ( 0.000 8.545 13.382) 15.877 8.208 ( 0.000 -7.362 3.739) 8.257 8.401 ( 0.000 0.724 7.570) 7.604 8.606 ( 0.000 -2.331 -11.052) 11.295 8.785 ( 0.000 4.656 -0.558) 4.689 8.960 ( 0.000 23.772 -13.764) 27.469 9.676 ( 0.000 6.174 20.858) 21.752 10.061 ( 0.000 11.730 -18.162) 21.621 10.416 ( 0.000 -3.317 29.596) 29.781 10.493 ( 0.000 -4.915 13.595) 14.457 10.845 ( 0.000 -1.423 -10.981) 11.073 11.059 ( 0.000 0.148 -24.793) 24.794 12.801 ( 0.000 -1.121 7.852) 7.932 12.932 ( 0.000 -2.294 -5.423) 5.888 13.058 ( 0.000 -1.635 3.692) 4.038 13.084 ( 0.000 -2.055 0.972) 2.274 15.860 ( 0.000 17.912 4.950) 18.584 15.950 ( 0.000 16.411 -4.230) 16.947 16.564 ( 0.000 1.872 20.246) 20.332 16.764 ( 0.000 -1.460 19.774) 19.828 16.948 ( 0.000 1.301 -17.578) 17.626 17.146 ( 0.000 -1.270 -18.974) 19.016 17.207 ( 0.000 -3.237 15.170) 15.511 17.466 ( 0.000 -6.144 -10.609) 12.259 22.177 ( 0.000 0.743 22.748) 22.760 22.613 ( 0.000 1.734 -21.738) 21.808 23.118 ( 0.000 -11.252 20.940) 23.772 23.517 ( 0.000 -10.837 -19.418) 22.238 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 2.768 -6.390 10.240) 12.384 2.168 ( 3.473 2.495 9.205) 10.150 2.351 ( -2.486 -8.125 -4.949) 9.833 2.427 ( 0.723 2.460 -7.666) 8.083 2.760 ( 0.518 -7.125 5.064) 8.757 2.838 ( -0.888 -1.384 -0.858) 1.854 2.861 ( -0.303 -3.103 -3.272) 4.519 2.923 ( 1.855 -6.517 -9.801) 11.915 3.017 ( 0.796 -0.271 0.237) 0.874 3.083 ( -3.228 -0.375 -5.426) 6.325 3.470 ( -0.779 -5.525 1.478) 5.772 3.507 ( -0.861 -1.613 -2.362) 2.987 3.808 ( -2.449 11.995 5.324) 13.350 3.905 ( -5.094 10.637 -3.981) 12.448 4.173 ( -9.497 5.834 18.870) 21.916 4.436 ( 4.678 10.904 16.896) 20.646 4.499 ( 0.606 6.402 -5.466) 8.439 4.524 ( 4.170 5.233 -3.433) 7.521 4.691 ( -2.863 3.126 14.154) 14.775 5.128 ( -6.163 4.249 -18.911) 20.339 5.305 ( 3.324 3.800 19.092) 19.748 5.359 ( 1.520 -2.572 6.534) 7.185 5.445 ( -2.833 1.519 6.717) 7.446 5.571 ( -14.451 1.770 -6.253) 15.845 5.625 ( 7.161 -1.432 -15.707) 17.322 5.739 ( 4.107 1.546 -21.004) 21.458 6.680 ( 15.302 -3.367 5.128) 16.486 6.737 ( 13.251 -6.225 -0.256) 14.643 6.778 ( 12.851 -5.388 6.927) 15.562 6.875 ( 16.787 -0.621 -3.220) 17.104 7.404 ( 2.373 -9.738 8.504) 13.145 7.600 ( -3.968 -17.002 -11.226) 20.757 8.052 ( -6.964 15.462 18.170) 24.854 8.297 ( 4.897 0.905 -5.457) 7.388 8.466 ( 7.090 -3.010 9.239) 12.029 8.668 ( 6.315 -4.363 -12.347) 14.539 8.817 ( 4.356 2.377 2.003) 5.351 8.983 ( 2.765 14.341 -12.671) 19.335 9.660 ( -1.788 5.343 21.517) 22.242 10.050 ( -1.324 11.365 -18.035) 21.358 10.381 ( -3.673 -3.303 28.926) 29.345 10.438 ( -5.580 -4.542 14.243) 15.958 10.793 ( -5.295 -1.534 -11.510) 12.762 11.014 ( -4.641 -0.022 -24.740) 25.171 12.791 ( -1.039 -0.776 7.350) 7.463 12.904 ( -2.724 -1.668 -3.811) 4.972 13.054 ( -0.259 -1.755 3.431) 3.863 13.081 ( -0.220 -1.922 0.866) 2.119 15.859 ( -0.224 17.868 4.457) 18.417 15.936 ( -1.727 16.181 -3.248) 16.594 16.358 ( -17.307 2.514 17.906) 25.029 16.617 ( -14.168 -1.082 18.442) 23.281 16.729 ( -19.291 1.533 -19.278) 27.315 16.991 ( -15.255 -1.027 -19.553) 24.822 17.336 ( 10.575 -4.226 15.624) 19.334 17.584 ( 8.658 -6.433 -9.860) 14.614 22.220 ( 3.741 0.658 20.037) 20.394 22.608 ( -0.772 1.830 -19.645) 19.745 23.144 ( 2.585 -11.236 19.750) 22.869 23.518 ( 0.080 -10.888 -18.191) 21.200 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 1.288 -0.555 8.106) 8.226 2.226 ( 2.762 -2.385 8.106) 8.890 2.308 ( -1.070 -9.784 -4.180) 10.693 2.414 ( -2.458 -0.556 -8.588) 8.950 2.770 ( 0.736 -7.147 4.295) 8.370 2.823 ( -0.889 1.886 2.117) 2.971 2.848 ( 0.114 -3.264 -0.633) 3.327 2.957 ( -0.193 -3.679 -12.986) 13.499 3.015 ( -1.785 -4.991 -0.893) 5.376 3.064 ( 3.808 1.207 -6.129) 7.316 3.447 ( -1.755 -5.127 1.197) 5.549 3.474 ( -2.395 -1.342 -1.637) 3.197 3.720 ( -9.413 11.090 2.545) 14.767 3.771 ( -8.697 12.057 -2.911) 15.148 3.917 ( -14.598 6.307 17.415) 23.583 4.301 ( -17.692 2.871 -20.856) 27.499 4.458 ( -2.429 11.753 26.500) 29.091 4.687 ( 9.332 2.099 3.749) 10.274 4.770 ( 9.924 3.722 -1.527) 10.709 4.951 ( -9.266 1.681 -19.017) 21.221 5.322 ( 0.888 2.995 8.379) 8.943 5.408 ( 3.368 4.747 8.840) 10.584 5.437 ( 4.208 6.836 2.609) 8.441 5.541 ( 5.495 4.322 1.408) 7.132 5.780 ( 7.852 -3.424 -7.415) 11.330 5.858 ( 7.073 -1.599 -14.046) 15.807 6.855 ( 1.557 -12.252 9.148) 15.370 6.934 ( 10.152 -14.521 1.651) 17.795 7.100 ( 16.388 3.439 8.250) 18.667 7.272 ( 18.010 1.142 -8.324) 19.873 7.577 ( 10.039 -6.475 0.089) 11.946 7.610 ( 15.478 -3.168 -2.912) 16.065 7.908 ( -6.645 18.335 17.850) 26.438 8.249 ( -8.367 18.997 -16.650) 26.611 8.682 ( 11.652 -5.630 11.469) 17.292 8.853 ( 12.520 -8.073 -5.302) 15.812 8.969 ( 11.070 -6.097 1.186) 12.693 9.096 ( 10.071 2.127 -12.263) 16.010 9.606 ( -3.696 2.410 22.681) 23.106 10.005 ( -3.388 9.129 -17.759) 20.254 10.266 ( -8.794 -3.430 22.174) 24.100 10.300 ( -7.839 -3.309 20.212) 21.930 10.647 ( -9.636 -1.874 -12.679) 16.035 10.880 ( -9.275 -0.282 -24.156) 25.877 12.766 ( -1.292 0.293 6.270) 6.408 12.844 ( -2.969 -0.356 -1.145) 3.202 13.051 ( -0.025 -1.958 2.978) 3.564 13.076 ( -0.324 -1.827 0.910) 2.067 15.828 ( -10.309 12.108 5.132) 16.710 15.850 ( -3.168 15.943 2.419) 16.434 16.055 ( -9.664 8.525 5.210) 13.900 16.284 ( -18.493 -0.213 13.153) 22.694 16.308 ( -22.323 2.498 -17.886) 28.713 16.611 ( -22.450 -0.345 -19.550) 29.771 17.538 ( 9.694 -5.908 12.588) 16.951 17.733 ( 6.331 -7.634 -7.447) 12.402 22.291 ( 3.092 0.896 14.176) 14.537 22.574 ( -2.905 2.183 -14.821) 15.260 23.210 ( 4.014 -11.275 16.231) 20.167 23.514 ( -0.642 -11.070 -14.731) 18.439 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -2.260 5.791 6.022) 8.655 2.264 ( -2.710 -0.946 -5.082) 5.836 2.320 ( 3.209 -6.865 2.757) 8.065 2.368 ( 0.034 -6.476 -3.157) 7.205 2.754 ( -2.599 1.188 3.406) 4.446 2.818 ( -0.015 -0.949 7.988) 8.044 2.895 ( 2.899 -3.212 -4.176) 6.014 2.926 ( 2.167 -5.903 -2.728) 6.854 3.043 ( 2.670 -8.285 -4.464) 9.783 3.136 ( 2.849 -0.411 -10.701) 11.082 3.374 ( -6.168 -0.701 1.585) 6.407 3.435 ( -4.127 -0.944 -4.563) 6.224 3.467 ( -10.267 2.075 6.807) 12.492 3.596 ( -8.288 6.570 -3.097) 11.020 3.651 ( -13.576 5.210 4.170) 15.127 3.896 ( -21.579 3.164 -18.760) 28.768 4.437 ( 0.375 14.781 14.992) 21.056 4.726 ( -8.285 9.694 -13.034) 18.234 4.921 ( 9.412 2.003 3.372) 10.197 4.983 ( 9.752 4.424 -2.730) 11.051 5.390 ( 4.742 1.774 6.888) 8.549 5.460 ( 2.343 1.633 1.687) 3.317 5.584 ( 8.404 11.117 5.467) 14.970 5.652 ( 6.208 8.482 0.418) 10.519 5.904 ( 4.708 -5.698 -1.867) 7.623 5.964 ( 3.298 -4.056 -7.340) 9.011 6.823 ( -3.313 -5.290 9.000) 10.953 6.996 ( -3.515 -13.442 -7.188) 15.643 7.374 ( 11.370 7.861 9.721) 16.899 7.530 ( 11.195 0.449 -5.261) 12.378 7.801 ( 1.539 7.201 11.776) 13.889 7.915 ( 17.293 1.978 8.662) 19.442 8.051 ( 7.025 9.113 -13.070) 17.414 8.069 ( 9.253 9.768 -6.831) 15.090 8.833 ( 3.429 -0.948 10.848) 11.417 9.025 ( 4.490 -8.323 -5.559) 10.970 9.292 ( 19.696 -6.375 -0.196) 20.703 9.363 ( 16.408 -3.634 -5.983) 17.839 9.547 ( -0.503 -3.073 20.855) 21.086 9.931 ( -3.270 2.933 -16.729) 17.297 10.069 ( -10.351 -2.141 16.020) 19.193 10.136 ( -9.316 -2.428 21.992) 24.007 10.430 ( -12.722 -2.737 -13.750) 18.932 10.655 ( -14.029 -0.272 -22.269) 26.321 12.750 ( -0.155 1.568 5.092) 5.330 12.801 ( -1.511 0.824 0.191) 1.732 13.051 ( -0.015 -2.023 2.840) 3.487 13.068 ( -0.490 -1.954 1.332) 2.415 15.548 ( -13.408 5.784 5.338) 15.547 15.728 ( -13.231 10.118 -10.232) 19.548 15.938 ( -9.003 1.684 1.523) 9.285 15.974 ( -8.362 8.534 -2.597) 12.227 16.007 ( -5.929 12.617 -0.087) 13.941 16.194 ( -19.095 1.764 -16.427) 25.250 17.700 ( 6.958 -7.442 8.348) 13.172 17.823 ( 2.957 -8.581 -4.289) 10.038 22.333 ( 1.431 1.769 7.882) 8.204 22.500 ( -4.480 2.758 -9.362) 10.739 23.291 ( 4.261 -11.494 10.738) 16.296 23.490 ( -1.966 -11.393 -9.516) 14.974 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.569 7.918 -0.377) 7.948 2.173 ( -4.545 6.103 -5.769) 9.549 2.379 ( 1.980 -5.848 2.916) 6.828 2.391 ( 0.658 -5.864 1.052) 5.994 2.725 ( 0.784 0.676 7.247) 7.321 2.777 ( -3.403 -0.207 9.395) 9.994 2.983 ( 6.424 -4.947 -4.439) 9.243 3.046 ( 7.967 -3.819 1.377) 8.942 3.087 ( -0.926 -6.233 -5.739) 8.523 3.147 ( -1.211 -2.272 -7.634) 8.056 3.231 ( -3.624 -1.293 1.108) 4.004 3.336 ( -10.086 -5.403 1.612) 11.555 3.340 ( -0.209 0.994 -8.935) 8.993 3.456 ( -6.954 -0.769 -7.634) 10.355 3.505 ( -1.387 2.564 -4.680) 5.514 3.556 ( -10.067 2.000 -8.885) 13.575 4.469 ( 3.109 17.701 2.465) 18.141 4.566 ( -7.050 15.242 -7.445) 18.370 5.084 ( 5.973 4.736 3.625) 8.440 5.116 ( 2.987 5.084 0.277) 5.903 5.462 ( 2.352 0.204 3.751) 4.432 5.483 ( 0.012 0.322 1.946) 1.973 5.727 ( 5.521 12.466 4.310) 14.299 5.755 ( 3.023 11.558 2.049) 12.121 5.961 ( 1.462 -6.451 -0.803) 6.663 5.982 ( -0.809 -5.591 -2.681) 6.253 6.790 ( 1.095 -1.980 1.047) 2.493 6.876 ( -6.966 -5.751 -6.830) 11.325 7.544 ( 6.916 14.496 5.233) 16.893 7.639 ( -1.502 13.684 -3.601) 14.229 7.837 ( 4.230 -4.453 5.237) 8.072 7.923 ( -4.693 3.637 -3.883) 7.094 8.293 ( 18.049 -1.569 13.994) 22.892 8.455 ( 8.456 -4.155 2.517) 9.752 8.835 ( 2.275 5.829 2.738) 6.830 9.004 ( -7.799 0.197 -9.215) 12.074 9.552 ( 7.967 -7.077 12.574) 16.482 9.614 ( 7.202 -6.909 17.585) 20.220 9.705 ( 10.184 -8.939 2.004) 13.698 9.864 ( -5.812 -1.784 4.501) 7.565 9.970 ( -1.117 0.080 9.016) 9.086 10.021 ( 7.703 -2.677 -12.318) 14.773 10.173 ( -12.459 -3.476 -14.019) 19.075 10.344 ( -17.738 0.082 -18.738) 25.803 12.760 ( 0.930 2.131 3.383) 4.106 12.779 ( -0.981 1.782 1.486) 2.519 13.052 ( 0.165 -2.076 2.579) 3.314 13.058 ( -0.482 -2.089 1.980) 2.918 15.388 ( -2.380 5.405 -3.134) 6.686 15.467 ( -10.227 5.770 -10.920) 16.036 15.793 ( -2.657 -2.005 -3.215) 4.628 15.852 ( -7.641 -0.606 -7.781) 10.922 15.966 ( -0.711 17.182 -1.085) 17.231 15.975 ( -2.628 15.795 -3.184) 16.325 17.804 ( 3.847 -8.474 3.811) 10.056 17.846 ( -0.491 -8.873 -0.508) 8.901 22.361 ( 1.939 2.726 1.854) 3.825 22.416 ( -3.806 3.094 -3.862) 6.243 23.371 ( 3.912 -11.719 3.991) 12.984 23.440 ( -3.165 -11.686 -3.058) 12.488 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.000 -3.541 2.863) 4.553 2.076 ( 0.000 -7.871 -9.086) 12.021 2.361 ( 0.000 7.322 10.193) 12.551 2.536 ( 0.000 3.667 -6.399) 7.375 2.600 ( 0.000 -5.828 -1.382) 5.989 2.636 ( 0.000 -8.876 -5.082) 10.227 2.853 ( 0.000 0.316 4.458) 4.469 2.883 ( 0.000 -0.683 7.284) 7.316 3.042 ( 0.000 4.072 -4.642) 6.175 3.092 ( 0.000 -1.883 -4.231) 4.631 3.340 ( 0.000 -7.029 -1.407) 7.168 3.382 ( 0.000 -9.295 -4.659) 10.397 3.988 ( 0.000 4.283 2.039) 4.743 4.039 ( 0.000 1.305 -2.036) 2.418 4.386 ( 0.000 6.514 14.104) 15.536 4.495 ( 0.000 2.337 7.146) 7.519 4.764 ( 0.000 11.355 -6.201) 12.938 4.780 ( 0.000 14.255 -2.479) 14.469 4.933 ( 0.000 12.829 30.324) 32.926 5.276 ( 0.000 1.813 2.650) 3.211 5.286 ( 0.000 6.775 0.709) 6.812 5.411 ( 0.000 -6.661 14.885) 16.308 5.430 ( 0.000 6.874 9.744) 11.925 5.585 ( 0.000 6.980 -22.685) 23.735 5.710 ( 0.000 -4.280 -14.869) 15.473 5.773 ( 0.000 3.245 -16.907) 17.215 6.374 ( 0.000 -17.340 2.252) 17.485 6.382 ( 0.000 -15.831 0.997) 15.862 6.641 ( 0.000 9.582 1.930) 9.774 6.706 ( 0.000 6.576 -3.611) 7.502 7.160 ( 0.000 -9.762 4.692) 10.831 7.272 ( 0.000 -16.449 -6.964) 17.862 8.097 ( 0.000 -3.122 4.877) 5.791 8.142 ( 0.000 -3.607 0.731) 3.681 8.394 ( 0.000 -0.388 3.647) 3.668 8.531 ( 0.000 -5.709 -9.969) 11.488 9.054 ( 0.000 19.335 21.575) 28.971 9.456 ( 0.000 23.086 -17.841) 29.177 9.713 ( 0.000 -4.890 27.650) 28.079 10.191 ( 0.000 -6.450 -16.004) 17.255 10.372 ( 0.000 3.659 14.215) 14.678 10.421 ( 0.000 -0.874 9.115) 9.157 10.850 ( 0.000 2.827 -5.178) 5.900 11.037 ( 0.000 -2.585 -19.531) 19.701 12.784 ( 0.000 -0.117 5.442) 5.443 12.869 ( 0.000 -3.459 -3.194) 4.708 13.023 ( 0.000 -1.397 3.373) 3.651 13.037 ( 0.000 -2.052 1.825) 2.746 16.336 ( 0.000 26.155 2.265) 26.252 16.360 ( 0.000 20.870 0.559) 20.878 16.621 ( 0.000 3.924 18.283) 18.700 16.722 ( 0.000 -2.437 19.985) 20.133 16.974 ( 0.000 0.018 -11.216) 11.216 17.101 ( 0.000 -6.401 4.506) 7.827 17.110 ( 0.000 -2.248 -19.093) 19.225 17.262 ( 0.000 -14.089 -6.910) 15.692 22.245 ( 0.000 6.750 23.393) 24.347 22.695 ( 0.000 6.783 -22.341) 23.348 22.813 ( 0.000 -17.188 21.447) 27.485 23.226 ( 0.000 -16.206 -20.369) 26.029 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 3.642 -3.145 2.000) 5.211 2.100 ( 1.943 -7.513 -8.940) 11.839 2.361 ( -0.323 8.414 9.820) 12.936 2.536 ( -0.772 5.299 -7.286) 9.042 2.599 ( 0.264 -6.104 -1.089) 6.206 2.653 ( 1.620 -7.490 -4.924) 9.109 2.840 ( -1.481 -3.257 4.791) 5.980 2.877 ( -0.636 -1.509 4.330) 4.629 3.010 ( -2.829 -1.478 -0.596) 3.247 3.094 ( 0.058 2.047 -6.076) 6.412 3.323 ( -0.729 -7.411 1.233) 7.548 3.405 ( 1.290 -6.349 -6.662) 9.293 3.999 ( 0.464 5.696 2.937) 6.425 4.053 ( 0.122 3.399 -1.319) 3.648 4.327 ( -7.622 8.187 15.546) 19.152 4.535 ( 3.062 -0.647 5.271) 6.130 4.669 ( -8.510 9.252 -6.611) 14.203 4.770 ( 0.307 7.124 -6.904) 9.926 4.834 ( -6.915 15.028 26.032) 30.843 5.159 ( -10.045 -2.025 -2.336) 10.510 5.305 ( -0.667 -2.092 5.283) 5.721 5.438 ( 4.091 0.660 5.881) 7.194 5.519 ( 7.106 8.877 11.130) 15.911 5.605 ( 0.592 8.452 -15.110) 17.324 5.672 ( 0.680 4.501 -9.572) 10.599 5.795 ( 3.828 4.165 -16.468) 17.413 6.428 ( 5.709 -16.971 3.743) 18.293 6.457 ( 6.911 -16.309 0.550) 17.722 6.850 ( 17.220 6.074 2.697) 18.457 6.920 ( 19.583 4.397 -3.904) 20.446 7.238 ( 8.754 -7.231 1.300) 11.428 7.291 ( 3.145 -12.646 -4.379) 13.747 8.198 ( 7.396 -0.498 6.806) 10.064 8.240 ( 10.975 -3.329 2.280) 11.693 8.425 ( 3.450 -0.262 2.935) 4.537 8.571 ( 4.377 -5.830 -10.919) 13.129 9.000 ( -4.789 16.434 19.917) 26.262 9.392 ( -6.224 21.870 -18.476) 29.298 9.667 ( -4.750 -6.368 27.813) 28.925 10.146 ( -4.719 -8.043 -16.335) 18.809 10.350 ( -2.624 3.589 14.710) 15.367 10.379 ( -4.196 0.054 10.572) 11.374 10.799 ( -5.240 2.976 -6.138) 8.601 10.989 ( -4.940 -2.702 -20.069) 20.844 12.782 ( -0.175 0.245 5.101) 5.110 12.858 ( -1.080 -2.615 -2.578) 3.827 13.016 ( -0.598 -1.493 3.756) 4.086 13.036 ( -0.187 -2.138 1.648) 2.706 16.304 ( -8.421 14.182 7.162) 17.982 16.326 ( -1.265 24.853 1.473) 24.929 16.441 ( -13.098 5.642 12.356) 18.870 16.617 ( -9.294 4.247 15.907) 18.906 16.765 ( -18.282 1.596 -17.817) 25.578 16.970 ( -13.614 -0.487 -19.075) 23.440 17.192 ( 8.140 -10.213 11.505) 17.405 17.376 ( 7.053 -13.929 -7.479) 17.312 22.283 ( 3.503 6.453 21.133) 22.373 22.691 ( -0.619 6.666 -20.292) 21.367 22.841 ( 2.785 -16.834 20.008) 26.296 23.226 ( -0.053 -16.262 -18.982) 24.995 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 5.567 -1.970 0.096) 5.906 2.137 ( 2.133 -4.727 -5.446) 7.520 2.343 ( -1.354 8.889 6.279) 10.967 2.486 ( -4.027 6.027 -7.533) 10.454 2.627 ( 2.672 -5.327 1.153) 6.070 2.700 ( 3.430 -6.659 -4.243) 8.609 2.806 ( -1.580 -7.412 1.533) 7.732 2.840 ( -3.483 -7.007 -1.091) 7.901 2.954 ( -2.174 0.517 5.931) 6.338 3.103 ( 0.811 0.206 -5.374) 5.438 3.319 ( -0.011 -4.404 1.097) 4.538 3.412 ( -0.834 -3.864 -7.246) 8.254 3.890 ( -14.608 5.382 7.270) 17.182 3.934 ( -12.982 3.381 7.076) 15.167 4.144 ( -11.321 12.674 0.804) 17.013 4.373 ( -18.751 2.821 -16.992) 25.461 4.632 ( 3.423 1.481 11.404) 11.999 4.757 ( 4.510 2.045 4.989) 7.029 4.871 ( 5.854 9.033 1.609) 10.883 5.027 ( 0.282 5.446 -4.427) 7.024 5.334 ( 3.664 -1.889 5.981) 7.264 5.459 ( 0.393 -0.594 -2.596) 2.692 5.639 ( 4.796 2.631 8.065) 9.745 5.703 ( 8.365 13.645 1.378) 16.064 5.768 ( 6.064 6.748 -5.114) 10.415 5.881 ( 5.044 6.529 -12.525) 14.998 6.558 ( 6.556 -15.626 4.545) 17.545 6.607 ( 7.446 -16.119 0.083) 17.756 7.191 ( 16.997 4.712 5.316) 18.421 7.311 ( 15.984 3.552 -6.759) 17.714 7.438 ( 16.671 -6.905 4.431) 18.581 7.549 ( 21.771 -4.122 -6.069) 22.974 8.277 ( -0.385 13.902 15.716) 20.986 8.509 ( 8.032 5.607 -8.184) 12.764 8.543 ( 13.642 -6.280 7.982) 17.007 8.711 ( 9.747 -6.277 -9.518) 15.000 8.936 ( 1.208 5.565 13.626) 14.768 9.261 ( -5.027 15.212 -18.001) 24.098 9.532 ( -8.904 -9.987 27.115) 30.236 10.012 ( -9.011 -11.254 -18.727) 23.634 10.244 ( -8.200 1.786 16.173) 18.221 10.281 ( -6.131 2.389 14.540) 15.960 10.654 ( -9.640 3.314 -8.503) 13.275 10.849 ( -9.513 -2.913 -20.901) 23.148 12.782 ( 0.296 1.315 4.409) 4.610 12.836 ( -0.967 -0.502 -0.900) 1.413 13.005 ( -0.439 -2.003 3.822) 4.338 13.029 ( -0.556 -2.451 1.527) 2.941 16.000 ( -18.858 5.969 12.834) 23.579 16.180 ( -15.722 -1.619 9.690) 18.539 16.245 ( -11.076 15.426 -7.348) 20.363 16.382 ( -18.174 4.248 -14.086) 23.383 16.489 ( -2.965 22.738 3.317) 23.169 16.659 ( -15.437 9.157 -14.931) 23.348 17.343 ( 7.013 -13.517 9.321) 17.855 17.486 ( 4.392 -16.584 -5.556) 18.033 22.357 ( 3.642 6.334 15.766) 17.377 22.664 ( -2.271 6.874 -15.531) 17.136 22.909 ( 3.918 -16.487 16.141) 23.403 23.218 ( -0.997 -16.504 -15.215) 22.469 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 4.490 -0.909 1.365) 4.780 2.219 ( 5.982 -0.122 -1.064) 6.078 2.318 ( -1.026 8.209 1.622) 8.430 2.411 ( -3.149 5.207 -5.172) 7.986 2.687 ( 2.862 -4.225 1.498) 5.319 2.759 ( -0.345 -7.445 -2.625) 7.902 2.788 ( 3.780 -6.984 1.337) 8.053 2.822 ( 2.947 -7.687 -4.082) 9.189 2.926 ( -1.153 2.241 8.415) 8.785 3.109 ( -0.660 -2.593 -6.279) 6.825 3.298 ( -3.321 -2.745 0.227) 4.315 3.373 ( -3.057 -3.348 -6.344) 7.798 3.555 ( -16.059 3.811 7.441) 18.105 3.650 ( -14.130 0.045 6.189) 15.426 3.823 ( -19.533 7.830 -11.697) 24.076 3.951 ( -23.066 1.394 -17.943) 29.256 4.745 ( 6.895 11.417 9.546) 16.401 4.888 ( 4.307 2.266 -4.839) 6.863 5.003 ( 8.996 8.658 7.135) 14.380 5.117 ( 6.453 7.263 -3.558) 10.347 5.426 ( 5.161 -0.243 4.969) 7.168 5.495 ( 2.634 2.313 0.030) 3.506 5.714 ( 3.067 -4.950 5.359) 7.914 5.802 ( 1.741 -4.189 -3.463) 5.708 5.910 ( 8.210 18.452 1.924) 20.287 5.985 ( 5.334 11.405 -5.723) 13.830 6.652 ( 3.043 -11.519 3.684) 12.470 6.709 ( 2.710 -14.153 -1.398) 14.478 7.487 ( 13.571 4.291 6.306) 15.567 7.586 ( 15.075 6.099 -1.351) 16.318 7.831 ( 20.300 -4.999 6.149) 21.792 8.004 ( 22.464 -5.051 -7.262) 24.143 8.184 ( -7.670 21.620 17.543) 28.879 8.503 ( -8.029 20.164 -13.574) 25.599 8.797 ( 9.374 -3.347 4.678) 10.999 8.883 ( 7.774 -4.831 -0.354) 9.159 9.143 ( 17.637 -6.310 3.456) 19.048 9.308 ( 9.452 -0.266 -8.442) 12.676 9.369 ( -5.113 -12.271 21.052) 24.898 9.822 ( -9.357 -13.858 -21.795) 27.470 10.069 ( -8.854 1.787 15.690) 18.104 10.127 ( -9.679 1.050 17.074) 19.655 10.432 ( -13.310 3.310 -10.355) 17.185 10.622 ( -14.096 -3.078 -20.345) 24.942 12.796 ( 1.164 2.717 3.773) 4.793 12.828 ( 0.090 1.639 0.722) 1.794 12.998 ( -0.346 -2.760 3.308) 4.322 13.015 ( -0.874 -2.964 1.714) 3.534 15.673 ( -13.667 6.078 5.835) 16.056 15.887 ( -13.529 -2.794 2.308) 14.006 15.893 ( -18.828 5.005 -13.717) 23.827 16.068 ( -16.715 -1.655 -12.884) 21.169 16.463 ( -0.491 27.345 0.274) 27.350 16.488 ( -3.209 26.386 -3.200) 26.772 17.458 ( 4.920 -16.419 6.056) 18.179 17.547 ( 1.952 -18.468 -3.156) 18.837 22.417 ( 2.666 7.099 9.333) 12.025 22.605 ( -3.667 7.855 -9.996) 13.231 22.984 ( 3.823 -16.953 10.624) 20.369 23.185 ( -2.468 -16.996 -9.834) 19.790 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 3.691 2.290 4.686) 6.390 2.298 ( 1.447 2.932 1.620) 3.649 2.312 ( 1.366 6.845 -1.901) 7.235 2.366 ( -2.233 4.031 -2.064) 5.049 2.727 ( 3.041 -1.089 5.164) 6.091 2.795 ( -1.059 -2.674 8.079) 8.576 2.885 ( 7.066 -1.216 -6.471) 9.658 2.910 ( 6.157 -6.560 1.599) 9.138 2.952 ( 4.796 -5.750 -1.313) 7.602 3.043 ( -6.832 -4.739 -3.776) 9.132 3.184 ( -5.678 -2.706 -0.089) 6.290 3.249 ( -10.532 -4.908 0.535) 11.632 3.382 ( -1.184 2.702 -8.203) 8.717 3.464 ( -5.650 0.467 -4.082) 6.986 3.528 ( -8.134 0.354 -14.054) 16.242 3.572 ( -12.616 -0.446 -11.936) 17.373 4.853 ( 4.130 16.619 3.538) 17.486 4.906 ( -1.341 14.704 -1.885) 14.885 5.169 ( 6.324 2.458 4.291) 8.028 5.212 ( 2.006 2.419 0.011) 3.142 5.505 ( 2.773 2.803 4.166) 5.736 5.530 ( 0.382 4.552 2.512) 5.213 5.765 ( 2.446 -9.389 1.094) 9.764 5.803 ( -1.210 -8.426 -2.619) 8.906 6.038 ( 4.393 17.328 1.788) 17.965 6.062 ( 1.904 15.004 -0.456) 15.131 6.689 ( 1.413 -9.119 1.218) 9.308 6.717 ( -1.217 -10.508 -1.286) 10.656 7.721 ( 10.632 6.000 9.224) 15.301 7.834 ( 5.046 5.734 3.071) 8.232 8.050 ( 1.034 25.451 2.771) 25.622 8.179 ( 14.367 -9.018 12.049) 20.806 8.264 ( -14.054 23.971 -13.655) 30.961 8.312 ( 4.232 -9.821 3.995) 11.416 8.896 ( 4.072 -3.758 0.685) 5.584 8.981 ( -0.429 -4.153 -3.804) 5.648 9.365 ( 6.132 -8.852 11.694) 15.896 9.430 ( 3.926 -7.326 8.863) 12.151 9.520 ( 11.255 -8.036 3.035) 14.158 9.712 ( -5.086 -12.028 -10.957) 17.047 9.971 ( -1.181 1.083 9.480) 9.615 10.010 ( 6.003 0.656 -2.417) 6.504 10.160 ( -13.104 1.819 -9.099) 16.057 10.313 ( -17.387 -3.003 -17.028) 24.521 12.821 ( 1.127 3.649 3.006) 4.860 12.832 ( 0.027 3.238 1.947) 3.778 12.993 ( -0.069 -3.467 2.690) 4.389 12.999 ( -0.670 -3.534 2.152) 4.191 15.512 ( -2.364 6.259 -3.019) 7.340 15.592 ( -10.508 6.078 -11.096) 16.447 15.732 ( -2.539 -3.911 -3.140) 5.621 15.801 ( -9.509 -3.623 -10.006) 14.272 16.459 ( -0.033 28.721 -0.211) 28.722 16.462 ( -0.419 29.043 -0.613) 29.052 17.532 ( 2.729 -18.310 2.707) 18.709 17.562 ( -0.405 -19.027 -0.412) 19.036 22.468 ( 2.855 8.180 2.695) 9.074 22.531 ( -3.710 8.548 -3.849) 10.082 23.057 ( 3.700 -17.504 3.775) 18.285 23.126 ( -3.444 -17.487 -3.351) 18.135 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 0.000 -2.835 -6.220) 6.835 1.956 ( 0.000 2.835 -6.220) 6.835 2.490 ( 0.000 -3.957 3.563) 5.325 2.490 ( 0.000 3.957 3.563) 5.325 2.569 ( 0.000 -2.145 -4.232) 4.744 2.569 ( 0.000 2.145 -4.232) 4.744 2.862 ( 0.000 -0.324 9.309) 9.314 2.862 ( 0.000 0.324 9.309) 9.314 3.107 ( 0.000 -1.192 -5.686) 5.810 3.107 ( 0.000 1.192 -5.686) 5.810 3.236 ( 0.000 -0.135 -4.234) 4.236 3.236 ( 0.000 0.135 -4.234) 4.236 4.039 ( 0.000 -1.107 -0.846) 1.393 4.039 ( 0.000 1.107 -0.846) 1.393 4.488 ( 0.000 -2.899 10.633) 11.021 4.488 ( 0.000 2.899 10.633) 11.021 4.895 ( 0.000 -1.198 -6.967) 7.070 4.895 ( 0.000 1.198 -6.967) 7.070 5.180 ( 0.000 -10.303 23.285) 25.463 5.180 ( 0.000 10.303 23.285) 25.463 5.374 ( 0.000 -3.609 2.676) 4.493 5.374 ( 0.000 3.609 2.676) 4.493 5.583 ( 0.000 -7.095 -6.591) 9.684 5.583 ( 0.000 7.095 -6.591) 9.684 5.848 ( 0.000 -7.866 -10.929) 13.465 5.848 ( 0.000 7.866 -10.929) 13.465 6.084 ( 0.000 -1.201 -2.534) 2.804 6.084 ( 0.000 1.201 -2.534) 2.804 6.808 ( 0.000 -2.026 -1.154) 2.331 6.808 ( 0.000 2.026 -1.154) 2.331 7.036 ( 0.000 -2.114 -0.936) 2.312 7.036 ( 0.000 2.114 -0.936) 2.312 8.081 ( 0.000 -1.455 2.130) 2.580 8.081 ( 0.000 1.455 2.130) 2.580 8.424 ( 0.000 -3.688 -3.459) 5.056 8.424 ( 0.000 3.688 -3.459) 5.056 9.451 ( 0.000 -17.379 25.269) 30.669 9.451 ( 0.000 17.379 25.269) 30.669 9.905 ( 0.000 -18.515 -12.897) 22.564 9.905 ( 0.000 18.515 -12.897) 22.564 10.429 ( 0.000 -0.178 8.431) 8.433 10.429 ( 0.000 0.178 8.431) 8.433 10.950 ( 0.000 -5.558 -12.094) 13.310 10.950 ( 0.000 5.558 -12.094) 13.310 12.806 ( 0.000 -2.291 1.074) 2.531 12.806 ( 0.000 2.291 1.074) 2.531 13.011 ( 0.000 -0.360 2.643) 2.667 13.011 ( 0.000 0.360 2.643) 2.667 16.637 ( 0.000 -4.334 17.460) 17.990 16.637 ( 0.000 4.334 17.460) 17.990 16.802 ( 0.000 -10.663 6.031) 12.251 16.802 ( 0.000 10.663 6.031) 12.251 16.883 ( 0.000 -18.828 -0.970) 18.853 16.883 ( 0.000 18.828 -0.970) 18.853 17.067 ( 0.000 -2.015 -18.246) 18.357 17.067 ( 0.000 2.015 -18.246) 18.357 22.470 ( 0.000 -14.784 22.486) 26.910 22.470 ( 0.000 14.784 22.486) 26.910 22.907 ( 0.000 -13.661 -21.635) 25.587 22.907 ( 0.000 13.661 -21.635) 25.587 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 3.724 -2.348 -5.929) 7.385 1.994 ( 3.724 2.348 -5.929) 7.385 2.504 ( 1.280 -3.749 3.094) 5.027 2.504 ( 1.280 3.749 3.094) 5.027 2.597 ( 2.335 -2.975 -4.187) 5.642 2.597 ( 2.335 2.975 -4.187) 5.642 2.809 ( -5.916 -2.203 3.946) 7.445 2.809 ( -5.916 2.203 3.946) 7.445 3.054 ( -2.921 -5.423 1.654) 6.378 3.054 ( -2.921 5.423 1.654) 6.378 3.288 ( 3.322 -4.238 -6.389) 8.355 3.288 ( 3.322 4.238 -6.389) 8.355 4.068 ( 1.535 -1.411 0.734) 2.211 4.068 ( 1.535 1.411 0.734) 2.211 4.471 ( -2.988 -5.323 11.216) 12.769 4.471 ( -2.988 5.323 11.216) 12.769 4.807 ( -7.590 -3.175 -8.003) 11.478 4.807 ( -7.590 3.175 -8.003) 11.478 5.076 ( -7.494 -7.066 11.893) 15.733 5.076 ( -7.494 7.066 11.893) 15.733 5.329 ( -1.094 -5.732 2.808) 6.476 5.329 ( -1.094 5.732 2.808) 6.476 5.690 ( 5.374 -3.817 -4.210) 7.821 5.690 ( 5.374 3.817 -4.210) 7.821 5.878 ( 4.784 -6.942 -5.151) 9.879 5.878 ( 4.784 6.942 -5.151) 9.879 6.170 ( 7.897 -2.920 -1.410) 8.536 6.170 ( 7.897 2.920 -1.410) 8.536 6.976 ( 15.453 -3.619 -0.225) 15.872 6.976 ( 15.453 3.619 -0.225) 15.872 7.127 ( 9.681 -1.645 -2.058) 10.033 7.127 ( 9.681 1.645 -2.058) 10.033 8.188 ( 10.508 -1.031 3.371) 11.084 8.188 ( 10.508 1.031 3.371) 11.084 8.461 ( 4.065 -3.880 -4.031) 6.916 8.461 ( 4.065 3.880 -4.031) 6.916 9.379 ( -7.145 -17.703 24.948) 31.414 9.379 ( -7.145 17.703 24.948) 31.414 9.843 ( -6.284 -18.919 -14.665) 24.748 9.843 ( -6.284 18.919 -14.665) 24.748 10.397 ( -3.449 -0.582 11.050) 11.590 10.397 ( -3.449 0.582 11.050) 11.590 10.900 ( -5.037 -5.592 -13.332) 15.310 10.900 ( -5.037 5.592 -13.332) 15.310 12.807 ( 0.099 -2.091 1.113) 2.371 12.807 ( 0.099 2.091 1.113) 2.371 13.006 ( -0.549 -0.606 2.815) 2.932 13.006 ( -0.549 0.606 2.815) 2.932 16.447 ( -15.628 -3.340 16.186) 22.746 16.447 ( -15.628 3.340 16.186) 22.746 16.728 ( -12.254 -8.574 -9.783) 17.871 16.728 ( -12.254 8.574 -9.783) 17.871 16.907 ( 3.804 -17.011 5.866) 18.391 16.907 ( 3.804 17.011 5.866) 18.391 17.059 ( -0.263 -12.624 -10.225) 16.248 17.059 ( -0.263 12.624 -10.225) 16.248 22.501 ( 2.927 -14.424 20.674) 25.378 22.501 ( 2.927 14.424 20.674) 25.378 22.906 ( -0.161 -13.684 -19.856) 24.115 22.906 ( -0.161 13.684 -19.856) 24.115 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 5.919 -0.854 -4.378) 7.411 2.089 ( 5.919 0.854 -4.378) 7.411 2.533 ( 1.060 -6.586 2.190) 7.021 2.533 ( 1.060 6.586 2.190) 7.021 2.631 ( -0.250 -6.442 -3.166) 7.182 2.631 ( -0.250 6.442 -3.166) 7.182 2.667 ( -5.273 -6.670 -2.060) 8.748 2.667 ( -5.273 6.670 -2.060) 8.748 3.027 ( -0.348 -5.327 6.599) 8.488 3.027 ( -0.348 5.327 6.599) 8.488 3.330 ( 0.749 -3.642 -7.028) 7.951 3.330 ( 0.749 3.642 -7.028) 7.951 3.955 ( -14.842 -1.119 8.675) 17.228 3.955 ( -14.842 1.119 8.675) 17.228 4.344 ( -14.419 -6.145 -7.965) 17.581 4.344 ( -14.419 6.145 -7.965) 17.581 4.689 ( 2.319 -4.823 -0.255) 5.357 4.689 ( 2.319 4.823 -0.255) 5.357 5.061 ( 5.483 -4.798 6.359) 9.670 5.061 ( 5.483 4.798 6.359) 9.670 5.352 ( 3.228 -5.635 0.820) 6.546 5.352 ( 3.228 5.635 0.820) 6.546 5.726 ( -0.313 -3.950 -2.430) 4.648 5.726 ( -0.313 3.950 -2.430) 4.648 6.035 ( 9.724 -4.374 -0.839) 10.695 6.035 ( 9.724 4.374 -0.839) 10.695 6.338 ( 8.258 -3.408 0.677) 8.959 6.338 ( 8.258 3.408 0.677) 8.959 7.292 ( 15.990 -5.816 5.930) 18.019 7.292 ( 15.990 5.816 5.930) 18.019 7.434 ( 21.300 -6.547 -8.070) 23.700 7.434 ( 21.300 6.547 -8.070) 23.700 8.436 ( 13.024 -4.345 7.832) 15.807 8.436 ( 13.024 4.345 7.832) 15.807 8.597 ( 10.556 -4.449 -6.448) 13.145 8.597 ( 10.556 4.449 -6.448) 13.145 9.204 ( -9.697 -17.031 23.510) 30.608 9.204 ( -9.697 17.031 23.510) 30.608 9.673 ( -10.735 -19.496 -18.632) 29.025 9.673 ( -10.735 19.496 -18.632) 29.025 10.291 ( -7.590 -1.692 16.093) 17.873 10.291 ( -7.590 1.692 16.093) 17.873 10.759 ( -9.559 -5.590 -15.816) 19.307 10.759 ( -9.559 5.590 -15.816) 19.307 12.815 ( 0.891 -1.583 1.396) 2.291 12.815 ( 0.891 1.583 1.396) 2.291 12.991 ( -0.971 -0.829 2.989) 3.250 12.991 ( -0.971 0.829 2.989) 3.250 16.107 ( -18.313 -4.622 12.465) 22.630 16.107 ( -18.313 4.622 12.465) 22.630 16.395 ( -20.546 -2.929 -16.290) 26.383 16.395 ( -20.546 2.929 -16.290) 26.383 16.974 ( 2.938 -20.827 4.427) 21.494 16.974 ( 2.938 20.827 4.427) 21.494 17.062 ( 0.448 -22.686 -4.006) 23.041 17.062 ( 0.448 22.686 -4.006) 23.041 22.567 ( 3.629 -13.813 15.782) 21.285 22.567 ( 3.629 13.814 15.782) 21.285 22.894 ( -1.335 -13.734 -15.178) 20.513 22.894 ( -1.335 13.734 -15.178) 20.513 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 7.140 -1.455 -0.867) 7.339 2.218 ( 7.140 1.455 -0.867) 7.339 2.473 ( -4.813 -3.827 -1.851) 6.422 2.473 ( -4.813 3.827 -1.851) 6.422 2.651 ( 5.217 -3.929 0.691) 6.568 2.651 ( 5.217 3.929 0.691) 6.568 2.679 ( 2.515 -2.862 -2.357) 4.480 2.679 ( 2.515 2.862 -2.357) 4.480 3.022 ( -0.608 -5.281 5.358) 7.547 3.022 ( -0.608 5.281 5.358) 7.547 3.306 ( -3.778 -2.644 -5.593) 7.249 3.306 ( -3.778 2.644 -5.593) 7.249 3.621 ( -16.224 -2.547 6.994) 17.850 3.621 ( -16.224 2.547 6.994) 17.850 3.935 ( -23.667 -3.093 -16.683) 29.120 3.935 ( -23.667 3.093 -16.683) 29.120 4.872 ( 11.899 -2.755 2.943) 12.564 4.872 ( 11.899 2.755 2.943) 12.564 5.175 ( 4.223 -4.201 3.558) 6.938 5.175 ( 4.223 4.201 3.558) 6.938 5.445 ( 6.182 -4.536 0.726) 7.702 5.445 ( 6.182 4.536 0.726) 7.702 5.709 ( -1.265 -3.944 -0.129) 4.144 5.709 ( -1.265 3.944 -0.129) 4.144 6.217 ( 8.797 -1.118 -0.556) 8.885 6.217 ( 8.797 1.118 -0.556) 8.885 6.453 ( 3.226 -2.868 1.089) 4.452 6.453 ( 3.226 2.868 1.089) 4.452 7.608 ( 16.595 -6.571 10.027) 20.472 7.608 ( 16.595 6.571 10.027) 20.472 7.843 ( 18.978 -8.717 -8.554) 22.568 7.843 ( 18.978 8.717 -8.554) 22.568 8.601 ( 1.834 -15.164 11.732) 19.260 8.601 ( 1.834 15.164 11.732) 19.260 8.795 ( 5.460 -6.057 -5.180) 9.661 8.795 ( 5.460 6.057 -5.180) 9.661 9.122 ( 4.954 -6.249 15.243) 17.203 9.122 ( 4.954 6.249 15.243) 17.203 9.488 ( -5.414 -15.465 -20.228) 26.032 9.488 ( -5.414 15.465 -20.228) 26.032 10.114 ( -9.952 -1.996 17.672) 20.379 10.114 ( -9.952 1.996 17.672) 20.379 10.532 ( -13.951 -5.346 -16.674) 22.389 10.532 ( -13.951 5.346 -16.674) 22.389 12.843 ( 2.018 -1.018 1.901) 2.953 12.843 ( 2.018 1.018 1.901) 2.953 12.968 ( -1.463 -0.729 2.878) 3.310 12.968 ( -1.463 0.729 2.878) 3.310 15.792 ( -13.240 -5.338 5.360) 15.249 15.792 ( -13.240 5.338 5.360) 15.249 15.999 ( -19.066 -4.461 -15.500) 24.973 15.999 ( -19.066 4.461 -15.500) 24.973 17.022 ( 2.121 -23.615 2.637) 23.856 17.022 ( 2.121 23.615 2.637) 23.856 17.071 ( 0.306 -25.603 -1.728) 25.663 17.071 ( 0.306 25.603 -1.728) 25.663 22.635 ( 3.493 -13.534 9.377) 16.831 22.635 ( 3.493 13.534 9.377) 16.831 22.851 ( -3.055 -13.768 -9.238) 16.859 22.851 ( -3.055 13.768 -9.238) 16.859 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 4.806 -1.901 2.412) 5.704 2.338 ( 4.806 1.901 2.412) 5.704 2.407 ( -2.741 -2.497 -0.661) 3.766 2.407 ( -2.741 2.497 -0.661) 3.766 2.756 ( 5.314 -5.071 1.855) 7.576 2.756 ( 5.314 5.071 1.855) 7.576 2.784 ( 6.035 -5.079 -0.024) 7.888 2.784 ( 6.035 5.079 -0.024) 7.888 2.998 ( 0.218 -3.281 2.229) 3.972 2.998 ( 0.218 3.281 2.229) 3.972 3.154 ( -11.516 -1.817 -1.093) 11.710 3.154 ( -11.516 1.817 -1.093) 11.710 3.439 ( -1.798 -2.518 -5.750) 6.529 3.439 ( -1.798 2.518 -5.750) 6.529 3.549 ( -13.797 -1.513 -15.378) 20.716 3.549 ( -13.797 1.513 -15.378) 20.716 5.073 ( 8.409 -2.442 2.302) 9.054 5.073 ( 8.409 2.442 2.302) 9.054 5.186 ( -3.036 -2.612 2.005) 4.479 5.186 ( -3.036 2.612 2.005) 4.479 5.574 ( 6.456 -3.697 1.537) 7.596 5.574 ( 6.456 3.697 1.537) 7.596 5.670 ( -3.268 -3.821 1.058) 5.138 5.670 ( -3.268 3.821 1.058) 5.138 6.367 ( 6.559 -1.721 -0.248) 6.786 6.367 ( 6.559 1.721 -0.248) 6.786 6.458 ( -2.551 -2.664 0.412) 3.712 6.458 ( -2.551 2.664 0.412) 3.712 7.912 ( 14.089 -10.370 12.762) 21.655 7.912 ( 14.089 10.370 12.762) 21.655 8.071 ( 1.306 -10.979 3.415) 11.572 8.071 ( 1.306 10.979 3.415) 11.572 8.580 ( 2.782 -23.237 0.979) 23.423 8.580 ( 2.782 23.237 0.979) 23.423 8.744 ( -9.648 -19.247 -10.381) 23.902 8.744 ( -9.648 19.247 -10.381) 23.902 9.320 ( 13.005 -3.686 9.960) 16.790 9.320 ( 13.005 3.686 9.960) 16.790 9.497 ( -1.082 -6.656 -3.283) 7.500 9.497 ( -1.082 6.656 -3.283) 7.500 10.000 ( 2.906 -1.400 3.604) 4.837 10.000 ( 2.906 1.400 3.604) 4.837 10.232 ( -16.391 -4.412 -13.335) 21.586 10.232 ( -16.391 4.412 -13.335) 21.586 12.888 ( 2.487 -0.575 2.343) 3.465 12.888 ( 2.487 0.575 2.343) 3.465 12.933 ( -2.099 -0.486 2.637) 3.406 12.933 ( -2.099 0.486 2.637) 3.406 15.635 ( -2.420 -5.478 -3.039) 6.716 15.635 ( -2.420 5.478 -3.039) 6.716 15.709 ( -10.044 -5.182 -10.576) 15.478 15.709 ( -10.044 5.182 -10.576) 15.478 17.055 ( 1.273 -25.531 1.091) 25.586 17.055 ( 1.273 25.531 1.091) 25.586 17.071 ( -0.369 -26.276 -0.309) 26.280 17.071 ( -0.369 26.276 -0.309) 26.280 22.705 ( 3.810 -13.596 2.916) 14.418 22.705 ( 3.810 13.596 2.916) 14.418 22.781 ( -3.984 -13.727 -3.202) 14.648 22.781 ( -3.984 13.727 -3.202) 14.648 =================== 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 3/29160 10.0 3870.554 3482.275 4779.097 0.000 0.000 0.000 3/29160 20.0 355.194 292.872 310.690 0.000 0.000 -0.000 3/29160 30.0 108.256 99.738 91.309 0.000 0.000 -0.000 3/29160 40.0 54.036 51.445 45.945 0.000 0.000 -0.000 3/29160 50.0 34.280 32.963 29.554 0.000 0.000 -0.000 3/29160 60.0 24.706 23.826 21.553 0.000 0.000 -0.000 3/29160 70.0 19.230 18.553 16.929 0.000 0.000 -0.000 3/29160 80.0 15.751 15.187 13.966 0.000 0.000 -0.000 3/29160 90.0 13.373 12.880 11.926 0.000 0.000 -0.000 3/29160 100.0 11.655 11.212 10.446 0.000 0.000 -0.000 3/29160 110.0 10.359 9.953 9.325 0.000 0.000 -0.000 3/29160 120.0 9.345 8.971 8.447 0.000 0.000 -0.000 3/29160 130.0 8.531 8.182 7.740 0.000 0.000 -0.000 3/29160 140.0 7.860 7.535 7.156 0.000 0.000 -0.000 3/29160 150.0 7.297 6.993 6.665 0.000 0.000 -0.000 3/29160 160.0 6.816 6.531 6.245 0.000 0.000 -0.000 3/29160 170.0 6.400 6.133 5.881 0.000 0.000 -0.000 3/29160 180.0 6.036 5.785 5.561 0.000 0.000 -0.000 3/29160 190.0 5.714 5.477 5.277 0.000 0.000 -0.000 3/29160 200.0 5.427 5.204 5.023 0.000 0.000 -0.000 3/29160 210.0 5.169 4.958 4.794 0.000 0.000 -0.000 3/29160 220.0 4.936 4.736 4.587 0.000 0.000 -0.000 3/29160 230.0 4.724 4.534 4.397 0.000 0.000 -0.000 3/29160 240.0 4.530 4.350 4.224 0.000 0.000 -0.000 3/29160 250.0 4.352 4.181 4.064 0.000 0.000 -0.000 3/29160 260.0 4.188 4.025 3.916 0.000 0.000 -0.000 3/29160 270.0 4.037 3.880 3.779 0.000 0.000 -0.000 3/29160 280.0 3.896 3.746 3.651 0.000 0.000 -0.000 3/29160 290.0 3.764 3.621 3.532 0.000 0.000 -0.000 3/29160 300.0 3.642 3.505 3.421 0.000 0.000 -0.000 3/29160 310.0 3.527 3.395 3.316 0.000 0.000 -0.000 3/29160 320.0 3.420 3.293 3.218 0.000 0.000 -0.000 3/29160 330.0 3.319 3.197 3.125 0.000 0.000 -0.000 3/29160 340.0 3.224 3.106 3.038 0.000 0.000 -0.000 3/29160 350.0 3.134 3.020 2.955 0.000 0.000 -0.000 3/29160 360.0 3.049 2.939 2.877 0.000 0.000 -0.000 3/29160 370.0 2.968 2.862 2.803 0.000 0.000 -0.000 3/29160 380.0 2.892 2.789 2.732 0.000 0.000 -0.000 3/29160 390.0 2.820 2.720 2.665 0.000 0.000 -0.000 3/29160 400.0 2.751 2.654 2.601 0.000 0.000 -0.000 3/29160 410.0 2.685 2.591 2.540 0.000 0.000 -0.000 3/29160 420.0 2.623 2.531 2.482 0.000 0.000 -0.000 3/29160 430.0 2.563 2.474 2.427 0.000 0.000 -0.000 3/29160 440.0 2.506 2.419 2.374 0.000 0.000 -0.000 3/29160 450.0 2.452 2.367 2.323 0.000 0.000 -0.000 3/29160 460.0 2.399 2.317 2.274 0.000 0.000 -0.000 3/29160 470.0 2.349 2.269 2.227 0.000 0.000 -0.000 3/29160 480.0 2.301 2.223 2.183 0.000 0.000 -0.000 3/29160 490.0 2.255 2.179 2.139 0.000 0.000 -0.000 3/29160 500.0 2.211 2.136 2.098 0.000 0.000 -0.000 3/29160 510.0 2.168 2.095 2.058 0.000 0.000 -0.000 3/29160 520.0 2.128 2.056 2.020 0.000 0.000 -0.000 3/29160 530.0 2.088 2.018 1.983 0.000 0.000 -0.000 3/29160 540.0 2.050 1.982 1.947 0.000 0.000 -0.000 3/29160 550.0 2.013 1.946 1.913 0.000 0.000 -0.000 3/29160 560.0 1.978 1.912 1.879 0.000 0.000 -0.000 3/29160 570.0 1.944 1.880 1.847 0.000 0.000 -0.000 3/29160 580.0 1.911 1.848 1.816 0.000 0.000 -0.000 3/29160 590.0 1.879 1.817 1.786 0.000 0.000 -0.000 3/29160 600.0 1.848 1.787 1.757 0.000 0.000 -0.000 3/29160 610.0 1.818 1.759 1.729 0.000 0.000 -0.000 3/29160 620.0 1.789 1.731 1.702 0.000 0.000 -0.000 3/29160 630.0 1.761 1.704 1.675 0.000 0.000 -0.000 3/29160 640.0 1.734 1.678 1.650 0.000 0.000 -0.000 3/29160 650.0 1.708 1.652 1.625 0.000 0.000 -0.000 3/29160 660.0 1.682 1.628 1.601 0.000 0.000 -0.000 3/29160 670.0 1.657 1.604 1.577 0.000 0.000 -0.000 3/29160 680.0 1.633 1.581 1.555 0.000 0.000 -0.000 3/29160 690.0 1.610 1.558 1.533 0.000 0.000 -0.000 3/29160 700.0 1.587 1.536 1.511 0.000 0.000 -0.000 3/29160 710.0 1.565 1.515 1.490 0.000 0.000 -0.000 3/29160 720.0 1.544 1.494 1.470 0.000 0.000 -0.000 3/29160 730.0 1.523 1.474 1.450 0.000 0.000 -0.000 3/29160 740.0 1.502 1.454 1.431 0.000 0.000 -0.000 3/29160 750.0 1.483 1.435 1.412 0.000 0.000 -0.000 3/29160 760.0 1.463 1.416 1.394 0.000 0.000 -0.000 3/29160 770.0 1.444 1.398 1.376 0.000 0.000 -0.000 3/29160 780.0 1.426 1.381 1.359 0.000 0.000 -0.000 3/29160 790.0 1.408 1.363 1.342 0.000 0.000 -0.000 3/29160 800.0 1.391 1.346 1.325 0.000 0.000 -0.000 3/29160 810.0 1.374 1.330 1.309 0.000 0.000 -0.000 3/29160 820.0 1.357 1.314 1.293 0.000 0.000 -0.000 3/29160 830.0 1.341 1.298 1.278 0.000 0.000 -0.000 3/29160 840.0 1.325 1.283 1.263 0.000 0.000 -0.000 3/29160 850.0 1.310 1.268 1.248 0.000 0.000 -0.000 3/29160 860.0 1.295 1.254 1.234 0.000 0.000 -0.000 3/29160 870.0 1.280 1.239 1.220 0.000 0.000 -0.000 3/29160 880.0 1.265 1.225 1.206 0.000 0.000 -0.000 3/29160 890.0 1.251 1.212 1.193 0.000 0.000 -0.000 3/29160 900.0 1.238 1.198 1.180 0.000 0.000 -0.000 3/29160 910.0 1.224 1.185 1.167 0.000 0.000 -0.000 3/29160 920.0 1.211 1.173 1.154 0.000 0.000 -0.000 3/29160 930.0 1.198 1.160 1.142 0.000 0.000 -0.000 3/29160 940.0 1.185 1.148 1.130 0.000 0.000 -0.000 3/29160 950.0 1.173 1.136 1.118 0.000 0.000 -0.000 3/29160 960.0 1.161 1.124 1.107 0.000 0.000 -0.000 3/29160 970.0 1.149 1.113 1.096 0.000 0.000 -0.000 3/29160 980.0 1.137 1.101 1.084 0.000 0.000 -0.000 3/29160 990.0 1.126 1.090 1.074 0.000 0.000 -0.000 3/29160 1000.0 1.115 1.080 1.063 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:33:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|