----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:35:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.414406025000000 -3.084429250000000 0.000000000000000 b 3.414406025000000 3.084429250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.834022900000002 Atomic positions (fractional): *1 B 0.84479137381565 0.15520862618435 0.75000000000000 10.811 2 B 0.15520862618435 0.84479137381565 0.25000000000000 10.811 *3 F 0.71012370124943 0.28987629875057 0.58301315587223 18.998 4 F 0.28987629875057 0.71012370124943 0.08301315587223 18.998 5 F 0.71012370124943 0.28987629875057 0.91698684412777 18.998 6 F 0.28987629875057 0.71012370124943 0.41698684412777 18.998 *7 F 0.18945298544651 0.14564361523108 0.25000000000000 18.998 8 F 0.81054701455349 0.85435638476892 0.75000000000000 18.998 9 F 0.85435638476892 0.81054701455349 0.25000000000000 18.998 10 F 0.14564361523108 0.18945298544651 0.75000000000000 18.998 *11 Na 0.34861686237921 0.65138313762079 0.75000000000000 22.990 12 Na 0.65138313762079 0.34861686237921 0.25000000000000 22.990 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.828812050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.168858500000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.834022900000002 Atomic positions (fractional): *1 B 0.50000000000000 0.65520862618435 0.75000000000000 10.811 > 1 2 B 0.50000000000000 0.34479137381565 0.25000000000000 10.811 > 2 3 B 0.00000000000000 0.15520862618435 0.75000000000000 10.811 > 1 4 B 0.00000000000000 0.84479137381565 0.25000000000000 10.811 > 2 *5 F 0.50000000000000 0.78987629875057 0.58301315587223 18.998 > 3 6 F 0.50000000000000 0.21012370124943 0.08301315587223 18.998 > 4 7 F 0.50000000000000 0.78987629875057 0.91698684412777 18.998 > 5 8 F 0.50000000000000 0.21012370124943 0.41698684412777 18.998 > 6 *9 F 0.16754830033880 0.97809531489228 0.25000000000000 18.998 > 7 10 F 0.83245169966120 0.02190468510772 0.75000000000000 18.998 > 8 11 F 0.83245169966120 0.97809531489228 0.25000000000000 18.998 > 9 12 F 0.16754830033880 0.02190468510772 0.75000000000000 18.998 > 10 13 F 0.00000000000000 0.28987629875058 0.58301315587223 18.998 > 3 14 F 0.00000000000000 0.71012370124943 0.08301315587223 18.998 > 4 15 F 0.00000000000000 0.28987629875058 0.91698684412777 18.998 > 5 16 F 0.00000000000000 0.71012370124943 0.41698684412777 18.998 > 6 17 F 0.66754830033880 0.47809531489229 0.25000000000000 18.998 > 7 18 F 0.33245169966120 0.52190468510772 0.75000000000000 18.998 > 8 19 F 0.33245169966120 0.47809531489229 0.25000000000000 18.998 > 9 20 F 0.66754830033880 0.52190468510772 0.75000000000000 18.998 > 10 *21 Na 0.50000000000000 0.15138313762079 0.75000000000000 22.990 > 11 22 Na 0.50000000000000 0.84861686237921 0.25000000000000 22.990 > 12 23 Na 0.00000000000000 0.65138313762079 0.75000000000000 22.990 > 11 24 Na 0.00000000000000 0.34861686237922 0.25000000000000 22.990 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.657624100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.337717000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.834022900000002 Atomic positions (fractional): *1 B 0.25000000000000 0.32760431309218 0.75000000000000 10.811 > 1 2 B 0.75000000000000 0.32760431309218 0.75000000000000 10.811 > 1 3 B 0.25000000000000 0.82760431309218 0.75000000000000 10.811 > 1 4 B 0.75000000000000 0.82760431309218 0.75000000000000 10.811 > 1 5 B 0.25000000000000 0.17239568690782 0.25000000000000 10.811 > 2 6 B 0.75000000000000 0.17239568690782 0.25000000000000 10.811 > 2 7 B 0.25000000000000 0.67239568690782 0.25000000000000 10.811 > 2 8 B 0.75000000000000 0.67239568690782 0.25000000000000 10.811 > 2 9 B 0.00000000000000 0.07760431309218 0.75000000000000 10.811 > 1 10 B 0.50000000000000 0.07760431309218 0.75000000000000 10.811 > 1 11 B 0.00000000000000 0.57760431309218 0.75000000000000 10.811 > 1 12 B 0.50000000000000 0.57760431309218 0.75000000000000 10.811 > 1 13 B 0.00000000000000 0.42239568690782 0.25000000000000 10.811 > 2 14 B 0.50000000000000 0.42239568690782 0.25000000000000 10.811 > 2 15 B 0.00000000000000 0.92239568690782 0.25000000000000 10.811 > 2 16 B 0.50000000000000 0.92239568690782 0.25000000000000 10.811 > 2 *17 F 0.25000000000000 0.39493814937529 0.58301315587223 18.998 > 3 18 F 0.75000000000000 0.39493814937529 0.58301315587223 18.998 > 3 19 F 0.25000000000000 0.89493814937529 0.58301315587223 18.998 > 3 20 F 0.75000000000000 0.89493814937529 0.58301315587223 18.998 > 3 21 F 0.25000000000000 0.10506185062471 0.08301315587223 18.998 > 4 22 F 0.75000000000000 0.10506185062471 0.08301315587223 18.998 > 4 23 F 0.25000000000000 0.60506185062471 0.08301315587223 18.998 > 4 24 F 0.75000000000000 0.60506185062471 0.08301315587223 18.998 > 4 25 F 0.25000000000000 0.39493814937529 0.91698684412777 18.998 > 5 26 F 0.75000000000000 0.39493814937529 0.91698684412777 18.998 > 5 27 F 0.25000000000000 0.89493814937529 0.91698684412777 18.998 > 5 28 F 0.75000000000000 0.89493814937529 0.91698684412777 18.998 > 5 29 F 0.25000000000000 0.10506185062471 0.41698684412777 18.998 > 6 30 F 0.75000000000000 0.10506185062471 0.41698684412777 18.998 > 6 31 F 0.25000000000000 0.60506185062471 0.41698684412777 18.998 > 6 32 F 0.75000000000000 0.60506185062471 0.41698684412777 18.998 > 6 *33 F 0.08377415016940 0.48904765744614 0.25000000000000 18.998 > 7 34 F 0.58377415016940 0.48904765744614 0.25000000000000 18.998 > 7 35 F 0.08377415016940 0.98904765744614 0.25000000000000 18.998 > 7 36 F 0.58377415016940 0.98904765744614 0.25000000000000 18.998 > 7 37 F 0.41622584983060 0.01095234255386 0.75000000000000 18.998 > 8 38 F 0.91622584983060 0.01095234255386 0.75000000000000 18.998 > 8 39 F 0.41622584983060 0.51095234255386 0.75000000000000 18.998 > 8 40 F 0.91622584983060 0.51095234255386 0.75000000000000 18.998 > 8 41 F 0.41622584983060 0.48904765744614 0.25000000000000 18.998 > 9 42 F 0.91622584983060 0.48904765744614 0.25000000000000 18.998 > 9 43 F 0.41622584983060 0.98904765744614 0.25000000000000 18.998 > 9 44 F 0.91622584983060 0.98904765744614 0.25000000000000 18.998 > 9 45 F 0.08377415016940 0.01095234255386 0.75000000000000 18.998 > 10 46 F 0.58377415016940 0.01095234255386 0.75000000000000 18.998 > 10 47 F 0.08377415016940 0.51095234255386 0.75000000000000 18.998 > 10 48 F 0.58377415016940 0.51095234255386 0.75000000000000 18.998 > 10 49 F 0.00000000000000 0.14493814937529 0.58301315587223 18.998 > 3 50 F 0.50000000000000 0.14493814937529 0.58301315587223 18.998 > 3 51 F 0.00000000000000 0.64493814937529 0.58301315587223 18.998 > 3 52 F 0.50000000000000 0.64493814937529 0.58301315587223 18.998 > 3 53 F 0.00000000000000 0.35506185062471 0.08301315587223 18.998 > 4 54 F 0.50000000000000 0.35506185062471 0.08301315587223 18.998 > 4 55 F 0.00000000000000 0.85506185062471 0.08301315587223 18.998 > 4 56 F 0.50000000000000 0.85506185062471 0.08301315587223 18.998 > 4 57 F 0.00000000000000 0.14493814937529 0.91698684412777 18.998 > 5 58 F 0.50000000000000 0.14493814937529 0.91698684412777 18.998 > 5 59 F 0.00000000000000 0.64493814937529 0.91698684412777 18.998 > 5 60 F 0.50000000000000 0.64493814937529 0.91698684412777 18.998 > 5 61 F 0.00000000000000 0.35506185062471 0.41698684412777 18.998 > 6 62 F 0.50000000000000 0.35506185062471 0.41698684412777 18.998 > 6 63 F 0.00000000000000 0.85506185062471 0.41698684412777 18.998 > 6 64 F 0.50000000000000 0.85506185062471 0.41698684412777 18.998 > 6 65 F 0.33377415016940 0.23904765744614 0.25000000000000 18.998 > 7 66 F 0.83377415016940 0.23904765744614 0.25000000000000 18.998 > 7 67 F 0.33377415016940 0.73904765744614 0.25000000000000 18.998 > 7 68 F 0.83377415016940 0.73904765744614 0.25000000000000 18.998 > 7 69 F 0.16622584983060 0.26095234255386 0.75000000000000 18.998 > 8 70 F 0.66622584983060 0.26095234255386 0.75000000000000 18.998 > 8 71 F 0.16622584983060 0.76095234255386 0.75000000000000 18.998 > 8 72 F 0.66622584983060 0.76095234255386 0.75000000000000 18.998 > 8 73 F 0.16622584983060 0.23904765744614 0.25000000000000 18.998 > 9 74 F 0.66622584983060 0.23904765744614 0.25000000000000 18.998 > 9 75 F 0.16622584983060 0.73904765744614 0.25000000000000 18.998 > 9 76 F 0.66622584983060 0.73904765744614 0.25000000000000 18.998 > 9 77 F 0.33377415016940 0.26095234255386 0.75000000000000 18.998 > 10 78 F 0.83377415016940 0.26095234255386 0.75000000000000 18.998 > 10 79 F 0.33377415016940 0.76095234255386 0.75000000000000 18.998 > 10 80 F 0.83377415016940 0.76095234255386 0.75000000000000 18.998 > 10 *81 Na 0.25000000000000 0.07569156881039 0.75000000000000 22.990 > 11 82 Na 0.75000000000000 0.07569156881039 0.75000000000000 22.990 > 11 83 Na 0.25000000000000 0.57569156881039 0.75000000000000 22.990 > 11 84 Na 0.75000000000000 0.57569156881039 0.75000000000000 22.990 > 11 85 Na 0.25000000000000 0.42430843118961 0.25000000000000 22.990 > 12 86 Na 0.75000000000000 0.42430843118961 0.25000000000000 22.990 > 12 87 Na 0.25000000000000 0.92430843118961 0.25000000000000 22.990 > 12 88 Na 0.75000000000000 0.92430843118961 0.25000000000000 22.990 > 12 89 Na 0.00000000000000 0.32569156881039 0.75000000000000 22.990 > 11 90 Na 0.50000000000000 0.32569156881039 0.75000000000000 22.990 > 11 91 Na 0.00000000000000 0.82569156881039 0.75000000000000 22.990 > 11 92 Na 0.50000000000000 0.82569156881039 0.75000000000000 22.990 > 11 93 Na 0.00000000000000 0.17430843118961 0.25000000000000 22.990 > 12 94 Na 0.50000000000000 0.17430843118961 0.25000000000000 22.990 > 12 95 Na 0.00000000000000 0.67430843118961 0.25000000000000 22.990 > 12 96 Na 0.50000000000000 0.67430843118961 0.25000000000000 22.990 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.7772832 0.0000000 0.0000000 0.0000000 1.7987914 0.0000000 0.0000000 0.0000000 1.7760512 -------------------------- Born effective charges -------------------------- 1 B 2.1617698 0.0000000 0.0000000 0.0000000 2.2317299 0.0000000 0.0000000 0.0000000 2.1949341 2 B 2.1617698 0.0000000 0.0000000 0.0000000 2.2317299 0.0000000 0.0000000 0.0000000 2.1949341 3 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 0.3066223 0.0000000 0.3196391 -1.0984815 4 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 -0.3066223 0.0000000 -0.3196391 -1.0984815 5 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 -0.3066223 0.0000000 -0.3196391 -1.0984815 6 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 0.3066223 0.0000000 0.3196391 -1.0984815 7 F -1.0721387 -0.2829862 0.0000000 -0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 8 F -1.0721387 -0.2829862 0.0000000 -0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 9 F -1.0721387 0.2829862 0.0000000 0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 10 F -1.0721387 0.2829862 0.0000000 0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 11 Na 1.0860306 0.0000000 0.0000000 0.0000000 1.1546419 0.0000000 0.0000000 0.0000000 1.0887426 12 Na 1.0860306 0.0000000 0.0000000 0.0000000 1.1546419 0.0000000 0.0000000 0.0000000 1.0887426 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 790 Number of blocks in projector: 790 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (790, 774), data: False |-- (56, 56), data: True |-- (104, 102), data: True |-- (154, 150), data: True |-- (154, 150), data: True |-- (154, 150), data: True |-- (168, 166), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.621 Solver_block: 200 / 240 - Time: 0.621 Solver_block: 240 / 240 - Time: 0.294 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.552 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zy) 0.00000000 (zy) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 790 Number of blocks in projector: 790 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (790, 774), data: False |-- (56, 56), data: True |-- (104, 102), data: True |-- (154, 150), data: True |-- (154, 150), data: True |-- (154, 150), data: True |-- (168, 166), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zy) 0.00000000 (zy) 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 19:35:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:35:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.414406025000000 -3.084429250000000 0.000000000000000 b 3.414406025000000 3.084429250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.834022900000002 Atomic positions (fractional): 1 B 0.84479137381565 0.15520862618435 0.75000000000000 10.811 2 B 0.15520862618435 0.84479137381565 0.25000000000000 10.811 3 F 0.71012370124943 0.28987629875057 0.58301315587223 18.998 4 F 0.28987629875057 0.71012370124943 0.08301315587223 18.998 5 F 0.71012370124943 0.28987629875057 0.91698684412777 18.998 6 F 0.28987629875057 0.71012370124943 0.41698684412777 18.998 7 F 0.18945298544651 0.14564361523108 0.25000000000000 18.998 8 F 0.81054701455349 0.85435638476892 0.75000000000000 18.998 9 F 0.85435638476892 0.81054701455349 0.25000000000000 18.998 10 F 0.14564361523108 0.18945298544651 0.75000000000000 18.998 11 Na 0.34861686237921 0.65138313762079 0.75000000000000 22.990 12 Na 0.65138313762079 0.34861686237921 0.25000000000000 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.657624100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.337717000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.834022900000002 Atomic positions (fractional): 1 B 0.25000000000000 0.32760431309218 0.75000000000000 10.811 > 1 2 B 0.75000000000000 0.32760431309218 0.75000000000000 10.811 > 1 3 B 0.25000000000000 0.82760431309218 0.75000000000000 10.811 > 1 4 B 0.75000000000000 0.82760431309218 0.75000000000000 10.811 > 1 5 B 0.25000000000000 0.17239568690782 0.25000000000000 10.811 > 5 6 B 0.75000000000000 0.17239568690782 0.25000000000000 10.811 > 5 7 B 0.25000000000000 0.67239568690782 0.25000000000000 10.811 > 5 8 B 0.75000000000000 0.67239568690782 0.25000000000000 10.811 > 5 9 B 0.00000000000000 0.07760431309218 0.75000000000000 10.811 > 1 10 B 0.50000000000000 0.07760431309218 0.75000000000000 10.811 > 1 11 B 0.00000000000000 0.57760431309218 0.75000000000000 10.811 > 1 12 B 0.50000000000000 0.57760431309218 0.75000000000000 10.811 > 1 13 B 0.00000000000000 0.42239568690782 0.25000000000000 10.811 > 5 14 B 0.50000000000000 0.42239568690782 0.25000000000000 10.811 > 5 15 B 0.00000000000000 0.92239568690782 0.25000000000000 10.811 > 5 16 B 0.50000000000000 0.92239568690782 0.25000000000000 10.811 > 5 17 F 0.25000000000000 0.39493814937529 0.58301315587223 18.998 > 17 18 F 0.75000000000000 0.39493814937529 0.58301315587223 18.998 > 17 19 F 0.25000000000000 0.89493814937529 0.58301315587223 18.998 > 17 20 F 0.75000000000000 0.89493814937529 0.58301315587223 18.998 > 17 21 F 0.25000000000000 0.10506185062471 0.08301315587223 18.998 > 21 22 F 0.75000000000000 0.10506185062471 0.08301315587223 18.998 > 21 23 F 0.25000000000000 0.60506185062471 0.08301315587223 18.998 > 21 24 F 0.75000000000000 0.60506185062471 0.08301315587223 18.998 > 21 25 F 0.25000000000000 0.39493814937529 0.91698684412777 18.998 > 25 26 F 0.75000000000000 0.39493814937529 0.91698684412777 18.998 > 25 27 F 0.25000000000000 0.89493814937529 0.91698684412777 18.998 > 25 28 F 0.75000000000000 0.89493814937529 0.91698684412777 18.998 > 25 29 F 0.25000000000000 0.10506185062471 0.41698684412777 18.998 > 29 30 F 0.75000000000000 0.10506185062471 0.41698684412777 18.998 > 29 31 F 0.25000000000000 0.60506185062471 0.41698684412777 18.998 > 29 32 F 0.75000000000000 0.60506185062471 0.41698684412777 18.998 > 29 33 F 0.08377415016940 0.48904765744614 0.25000000000000 18.998 > 33 34 F 0.58377415016940 0.48904765744614 0.25000000000000 18.998 > 33 35 F 0.08377415016940 0.98904765744614 0.25000000000000 18.998 > 33 36 F 0.58377415016940 0.98904765744614 0.25000000000000 18.998 > 33 37 F 0.41622584983060 0.01095234255386 0.75000000000000 18.998 > 37 38 F 0.91622584983060 0.01095234255386 0.75000000000000 18.998 > 37 39 F 0.41622584983060 0.51095234255386 0.75000000000000 18.998 > 37 40 F 0.91622584983060 0.51095234255386 0.75000000000000 18.998 > 37 41 F 0.41622584983060 0.48904765744614 0.25000000000000 18.998 > 41 42 F 0.91622584983060 0.48904765744614 0.25000000000000 18.998 > 41 43 F 0.41622584983060 0.98904765744614 0.25000000000000 18.998 > 41 44 F 0.91622584983060 0.98904765744614 0.25000000000000 18.998 > 41 45 F 0.08377415016940 0.01095234255386 0.75000000000000 18.998 > 45 46 F 0.58377415016940 0.01095234255386 0.75000000000000 18.998 > 45 47 F 0.08377415016940 0.51095234255386 0.75000000000000 18.998 > 45 48 F 0.58377415016940 0.51095234255386 0.75000000000000 18.998 > 45 49 F 0.00000000000000 0.14493814937529 0.58301315587223 18.998 > 17 50 F 0.50000000000000 0.14493814937529 0.58301315587223 18.998 > 17 51 F 0.00000000000000 0.64493814937529 0.58301315587223 18.998 > 17 52 F 0.50000000000000 0.64493814937529 0.58301315587223 18.998 > 17 53 F 0.00000000000000 0.35506185062471 0.08301315587223 18.998 > 21 54 F 0.50000000000000 0.35506185062471 0.08301315587223 18.998 > 21 55 F 0.00000000000000 0.85506185062471 0.08301315587223 18.998 > 21 56 F 0.50000000000000 0.85506185062471 0.08301315587223 18.998 > 21 57 F 0.00000000000000 0.14493814937529 0.91698684412777 18.998 > 25 58 F 0.50000000000000 0.14493814937529 0.91698684412777 18.998 > 25 59 F 0.00000000000000 0.64493814937529 0.91698684412777 18.998 > 25 60 F 0.50000000000000 0.64493814937529 0.91698684412777 18.998 > 25 61 F 0.00000000000000 0.35506185062471 0.41698684412777 18.998 > 29 62 F 0.50000000000000 0.35506185062471 0.41698684412777 18.998 > 29 63 F 0.00000000000000 0.85506185062471 0.41698684412777 18.998 > 29 64 F 0.50000000000000 0.85506185062471 0.41698684412777 18.998 > 29 65 F 0.33377415016940 0.23904765744614 0.25000000000000 18.998 > 33 66 F 0.83377415016940 0.23904765744614 0.25000000000000 18.998 > 33 67 F 0.33377415016940 0.73904765744614 0.25000000000000 18.998 > 33 68 F 0.83377415016940 0.73904765744614 0.25000000000000 18.998 > 33 69 F 0.16622584983060 0.26095234255386 0.75000000000000 18.998 > 37 70 F 0.66622584983060 0.26095234255386 0.75000000000000 18.998 > 37 71 F 0.16622584983060 0.76095234255386 0.75000000000000 18.998 > 37 72 F 0.66622584983060 0.76095234255386 0.75000000000000 18.998 > 37 73 F 0.16622584983060 0.23904765744614 0.25000000000000 18.998 > 41 74 F 0.66622584983060 0.23904765744614 0.25000000000000 18.998 > 41 75 F 0.16622584983060 0.73904765744614 0.25000000000000 18.998 > 41 76 F 0.66622584983060 0.73904765744614 0.25000000000000 18.998 > 41 77 F 0.33377415016940 0.26095234255386 0.75000000000000 18.998 > 45 78 F 0.83377415016940 0.26095234255386 0.75000000000000 18.998 > 45 79 F 0.33377415016940 0.76095234255386 0.75000000000000 18.998 > 45 80 F 0.83377415016940 0.76095234255386 0.75000000000000 18.998 > 45 81 Na 0.25000000000000 0.07569156881039 0.75000000000000 22.990 > 81 82 Na 0.75000000000000 0.07569156881039 0.75000000000000 22.990 > 81 83 Na 0.25000000000000 0.57569156881039 0.75000000000000 22.990 > 81 84 Na 0.75000000000000 0.57569156881039 0.75000000000000 22.990 > 81 85 Na 0.25000000000000 0.42430843118961 0.25000000000000 22.990 > 85 86 Na 0.75000000000000 0.42430843118961 0.25000000000000 22.990 > 85 87 Na 0.25000000000000 0.92430843118961 0.25000000000000 22.990 > 85 88 Na 0.75000000000000 0.92430843118961 0.25000000000000 22.990 > 85 89 Na 0.00000000000000 0.32569156881039 0.75000000000000 22.990 > 81 90 Na 0.50000000000000 0.32569156881039 0.75000000000000 22.990 > 81 91 Na 0.00000000000000 0.82569156881039 0.75000000000000 22.990 > 81 92 Na 0.50000000000000 0.82569156881039 0.75000000000000 22.990 > 81 93 Na 0.00000000000000 0.17430843118961 0.25000000000000 22.990 > 85 94 Na 0.50000000000000 0.17430843118961 0.25000000000000 22.990 > 85 95 Na 0.00000000000000 0.67430843118961 0.25000000000000 22.990 > 85 96 Na 0.50000000000000 0.67430843118961 0.25000000000000 22.990 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.7772832 0.0000000 0.0000000 0.0000000 1.7987914 0.0000000 0.0000000 0.0000000 1.7760512 -------------------------- Born effective charges -------------------------- 1 B 2.1617698 0.0000000 0.0000000 0.0000000 2.2317299 0.0000000 0.0000000 0.0000000 2.1949341 2 B 2.1617698 0.0000000 0.0000000 0.0000000 2.2317299 0.0000000 0.0000000 0.0000000 2.1949341 3 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 0.3066223 0.0000000 0.3196391 -1.0984815 4 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 -0.3066223 0.0000000 -0.3196391 -1.0984815 5 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 -0.3066223 0.0000000 -0.3196391 -1.0984815 6 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 0.3066223 0.0000000 0.3196391 -1.0984815 7 F -1.0721387 -0.2829862 0.0000000 -0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 8 F -1.0721387 -0.2829862 0.0000000 -0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 9 F -1.0721387 0.2829862 0.0000000 0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 10 F -1.0721387 0.2829862 0.0000000 0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 11 Na 1.0860306 0.0000000 0.0000000 0.0000000 1.1546419 0.0000000 0.0000000 0.0000000 1.0887426 12 Na 1.0860306 0.0000000 0.0000000 0.0000000 1.1546419 0.0000000 0.0000000 0.0000000 1.0887426 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 81, 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: 0.00000006 (yyy) 0.00000006 (yyy) 0.00000006 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 19:35:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:35:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.414406025000000 -3.084429250000000 0.000000000000000 b 3.414406025000000 3.084429250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.834022900000002 Atomic positions (fractional): 1 B 0.84479137381565 0.15520862618435 0.75000000000000 10.811 2 B 0.15520862618435 0.84479137381565 0.25000000000000 10.811 3 F 0.71012370124943 0.28987629875057 0.58301315587223 18.998 4 F 0.28987629875057 0.71012370124943 0.08301315587223 18.998 5 F 0.71012370124943 0.28987629875057 0.91698684412777 18.998 6 F 0.28987629875057 0.71012370124943 0.41698684412777 18.998 7 F 0.18945298544651 0.14564361523108 0.25000000000000 18.998 8 F 0.81054701455349 0.85435638476892 0.75000000000000 18.998 9 F 0.85435638476892 0.81054701455349 0.25000000000000 18.998 10 F 0.14564361523108 0.18945298544651 0.75000000000000 18.998 11 Na 0.34861686237921 0.65138313762079 0.75000000000000 22.990 12 Na 0.65138313762079 0.34861686237921 0.25000000000000 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.657624100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.337717000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.834022900000002 Atomic positions (fractional): 1 B 0.25000000000000 0.32760431309218 0.75000000000000 10.811 > 1 2 B 0.75000000000000 0.32760431309218 0.75000000000000 10.811 > 1 3 B 0.25000000000000 0.82760431309218 0.75000000000000 10.811 > 1 4 B 0.75000000000000 0.82760431309218 0.75000000000000 10.811 > 1 5 B 0.25000000000000 0.17239568690782 0.25000000000000 10.811 > 5 6 B 0.75000000000000 0.17239568690782 0.25000000000000 10.811 > 5 7 B 0.25000000000000 0.67239568690782 0.25000000000000 10.811 > 5 8 B 0.75000000000000 0.67239568690782 0.25000000000000 10.811 > 5 9 B 0.00000000000000 0.07760431309218 0.75000000000000 10.811 > 1 10 B 0.50000000000000 0.07760431309218 0.75000000000000 10.811 > 1 11 B 0.00000000000000 0.57760431309218 0.75000000000000 10.811 > 1 12 B 0.50000000000000 0.57760431309218 0.75000000000000 10.811 > 1 13 B 0.00000000000000 0.42239568690782 0.25000000000000 10.811 > 5 14 B 0.50000000000000 0.42239568690782 0.25000000000000 10.811 > 5 15 B 0.00000000000000 0.92239568690782 0.25000000000000 10.811 > 5 16 B 0.50000000000000 0.92239568690782 0.25000000000000 10.811 > 5 17 F 0.25000000000000 0.39493814937529 0.58301315587223 18.998 > 17 18 F 0.75000000000000 0.39493814937529 0.58301315587223 18.998 > 17 19 F 0.25000000000000 0.89493814937529 0.58301315587223 18.998 > 17 20 F 0.75000000000000 0.89493814937529 0.58301315587223 18.998 > 17 21 F 0.25000000000000 0.10506185062471 0.08301315587223 18.998 > 21 22 F 0.75000000000000 0.10506185062471 0.08301315587223 18.998 > 21 23 F 0.25000000000000 0.60506185062471 0.08301315587223 18.998 > 21 24 F 0.75000000000000 0.60506185062471 0.08301315587223 18.998 > 21 25 F 0.25000000000000 0.39493814937529 0.91698684412777 18.998 > 25 26 F 0.75000000000000 0.39493814937529 0.91698684412777 18.998 > 25 27 F 0.25000000000000 0.89493814937529 0.91698684412777 18.998 > 25 28 F 0.75000000000000 0.89493814937529 0.91698684412777 18.998 > 25 29 F 0.25000000000000 0.10506185062471 0.41698684412777 18.998 > 29 30 F 0.75000000000000 0.10506185062471 0.41698684412777 18.998 > 29 31 F 0.25000000000000 0.60506185062471 0.41698684412777 18.998 > 29 32 F 0.75000000000000 0.60506185062471 0.41698684412777 18.998 > 29 33 F 0.08377415016940 0.48904765744614 0.25000000000000 18.998 > 33 34 F 0.58377415016940 0.48904765744614 0.25000000000000 18.998 > 33 35 F 0.08377415016940 0.98904765744614 0.25000000000000 18.998 > 33 36 F 0.58377415016940 0.98904765744614 0.25000000000000 18.998 > 33 37 F 0.41622584983060 0.01095234255386 0.75000000000000 18.998 > 37 38 F 0.91622584983060 0.01095234255386 0.75000000000000 18.998 > 37 39 F 0.41622584983060 0.51095234255386 0.75000000000000 18.998 > 37 40 F 0.91622584983060 0.51095234255386 0.75000000000000 18.998 > 37 41 F 0.41622584983060 0.48904765744614 0.25000000000000 18.998 > 41 42 F 0.91622584983060 0.48904765744614 0.25000000000000 18.998 > 41 43 F 0.41622584983060 0.98904765744614 0.25000000000000 18.998 > 41 44 F 0.91622584983060 0.98904765744614 0.25000000000000 18.998 > 41 45 F 0.08377415016940 0.01095234255386 0.75000000000000 18.998 > 45 46 F 0.58377415016940 0.01095234255386 0.75000000000000 18.998 > 45 47 F 0.08377415016940 0.51095234255386 0.75000000000000 18.998 > 45 48 F 0.58377415016940 0.51095234255386 0.75000000000000 18.998 > 45 49 F 0.00000000000000 0.14493814937529 0.58301315587223 18.998 > 17 50 F 0.50000000000000 0.14493814937529 0.58301315587223 18.998 > 17 51 F 0.00000000000000 0.64493814937529 0.58301315587223 18.998 > 17 52 F 0.50000000000000 0.64493814937529 0.58301315587223 18.998 > 17 53 F 0.00000000000000 0.35506185062471 0.08301315587223 18.998 > 21 54 F 0.50000000000000 0.35506185062471 0.08301315587223 18.998 > 21 55 F 0.00000000000000 0.85506185062471 0.08301315587223 18.998 > 21 56 F 0.50000000000000 0.85506185062471 0.08301315587223 18.998 > 21 57 F 0.00000000000000 0.14493814937529 0.91698684412777 18.998 > 25 58 F 0.50000000000000 0.14493814937529 0.91698684412777 18.998 > 25 59 F 0.00000000000000 0.64493814937529 0.91698684412777 18.998 > 25 60 F 0.50000000000000 0.64493814937529 0.91698684412777 18.998 > 25 61 F 0.00000000000000 0.35506185062471 0.41698684412777 18.998 > 29 62 F 0.50000000000000 0.35506185062471 0.41698684412777 18.998 > 29 63 F 0.00000000000000 0.85506185062471 0.41698684412777 18.998 > 29 64 F 0.50000000000000 0.85506185062471 0.41698684412777 18.998 > 29 65 F 0.33377415016940 0.23904765744614 0.25000000000000 18.998 > 33 66 F 0.83377415016940 0.23904765744614 0.25000000000000 18.998 > 33 67 F 0.33377415016940 0.73904765744614 0.25000000000000 18.998 > 33 68 F 0.83377415016940 0.73904765744614 0.25000000000000 18.998 > 33 69 F 0.16622584983060 0.26095234255386 0.75000000000000 18.998 > 37 70 F 0.66622584983060 0.26095234255386 0.75000000000000 18.998 > 37 71 F 0.16622584983060 0.76095234255386 0.75000000000000 18.998 > 37 72 F 0.66622584983060 0.76095234255386 0.75000000000000 18.998 > 37 73 F 0.16622584983060 0.23904765744614 0.25000000000000 18.998 > 41 74 F 0.66622584983060 0.23904765744614 0.25000000000000 18.998 > 41 75 F 0.16622584983060 0.73904765744614 0.25000000000000 18.998 > 41 76 F 0.66622584983060 0.73904765744614 0.25000000000000 18.998 > 41 77 F 0.33377415016940 0.26095234255386 0.75000000000000 18.998 > 45 78 F 0.83377415016940 0.26095234255386 0.75000000000000 18.998 > 45 79 F 0.33377415016940 0.76095234255386 0.75000000000000 18.998 > 45 80 F 0.83377415016940 0.76095234255386 0.75000000000000 18.998 > 45 81 Na 0.25000000000000 0.07569156881039 0.75000000000000 22.990 > 81 82 Na 0.75000000000000 0.07569156881039 0.75000000000000 22.990 > 81 83 Na 0.25000000000000 0.57569156881039 0.75000000000000 22.990 > 81 84 Na 0.75000000000000 0.57569156881039 0.75000000000000 22.990 > 81 85 Na 0.25000000000000 0.42430843118961 0.25000000000000 22.990 > 85 86 Na 0.75000000000000 0.42430843118961 0.25000000000000 22.990 > 85 87 Na 0.25000000000000 0.92430843118961 0.25000000000000 22.990 > 85 88 Na 0.75000000000000 0.92430843118961 0.25000000000000 22.990 > 85 89 Na 0.00000000000000 0.32569156881039 0.75000000000000 22.990 > 81 90 Na 0.50000000000000 0.32569156881039 0.75000000000000 22.990 > 81 91 Na 0.00000000000000 0.82569156881039 0.75000000000000 22.990 > 81 92 Na 0.50000000000000 0.82569156881039 0.75000000000000 22.990 > 81 93 Na 0.00000000000000 0.17430843118961 0.25000000000000 22.990 > 85 94 Na 0.50000000000000 0.17430843118961 0.25000000000000 22.990 > 85 95 Na 0.00000000000000 0.67430843118961 0.25000000000000 22.990 > 85 96 Na 0.50000000000000 0.67430843118961 0.25000000000000 22.990 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.7772832 0.0000000 0.0000000 0.0000000 1.7987914 0.0000000 0.0000000 0.0000000 1.7760512 -------------------------- Born effective charges -------------------------- 1 B 2.1617698 0.0000000 0.0000000 0.0000000 2.2317299 0.0000000 0.0000000 0.0000000 2.1949341 2 B 2.1617698 0.0000000 0.0000000 0.0000000 2.2317299 0.0000000 0.0000000 0.0000000 2.1949341 3 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 0.3066223 0.0000000 0.3196391 -1.0984815 4 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 -0.3066223 0.0000000 -0.3196391 -1.0984815 5 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 -0.3066223 0.0000000 -0.3196391 -1.0984815 6 F -0.5517615 0.0000000 0.0000000 0.0000000 -0.8540822 0.3066223 0.0000000 0.3196391 -1.0984815 7 F -1.0721387 -0.2829862 0.0000000 -0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 8 F -1.0721387 -0.2829862 0.0000000 -0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 9 F -1.0721387 0.2829862 0.0000000 0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 10 F -1.0721387 0.2829862 0.0000000 0.2938583 -0.8391037 0.0000000 0.0000000 0.0000000 -0.5433569 11 Na 1.0860306 0.0000000 0.0000000 0.0000000 1.1546419 0.0000000 0.0000000 0.0000000 1.0887426 12 Na 1.0860306 0.0000000 0.0000000 0.0000000 1.1546419 0.0000000 0.0000000 0.0000000 1.0887426 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (yyy) 0.00000006 (yyy) 0.00000006 (yyy) Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) --------------------------- 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 ... [ 11 11 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 9.610 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 14.632 ( 0.000 0.000 0.000) 0.000 14.929 ( 0.000 0.000 0.000) 0.000 15.028 ( 0.000 0.000 0.000) 0.000 15.127 ( 0.000 0.000 0.000) 0.000 15.769 ( 0.000 0.000 0.000) 0.000 15.828 ( 0.000 0.000 0.000) 0.000 22.671 ( 0.000 0.000 0.000) 0.000 22.766 ( 0.000 0.000 0.000) 0.000 30.266 ( 0.000 0.000 0.000) 0.000 30.818 ( 0.000 0.000 0.000) 0.000 31.211 ( 0.000 0.000 0.000) 0.000 31.293 ( 0.000 0.000 0.000) 0.000 31.702 ( 0.000 0.000 0.000) 0.000 32.639 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 5.146 -21.058 0.000) 21.678 0.514 ( 18.294 -18.046 0.000) 25.696 0.817 ( 30.061 -27.295 0.000) 40.604 1.434 ( 15.670 -9.133 0.000) 18.137 2.495 ( 4.442 0.274 0.000) 4.451 2.549 ( -0.417 2.394 0.000) 2.430 2.654 ( 3.484 -8.146 0.000) 8.860 2.793 ( -1.810 3.738 0.000) 4.153 2.891 ( -5.883 2.952 0.000) 6.582 3.156 ( 0.426 8.305 0.000) 8.316 3.163 ( 5.735 6.348 0.000) 8.555 3.418 ( -1.905 -4.925 0.000) 5.280 4.457 ( -3.801 1.500 0.000) 4.087 4.510 ( -0.124 2.897 0.000) 2.900 4.635 ( 1.800 -1.368 0.000) 2.260 5.784 ( 0.350 -0.882 0.000) 0.949 6.187 ( -0.326 0.120 0.000) 0.348 6.606 ( -21.921 -13.961 0.000) 25.989 9.612 ( 0.423 -0.010 0.000) 0.423 9.715 ( 1.407 -1.454 0.000) 2.023 10.454 ( 0.207 0.101 0.000) 0.230 10.694 ( 0.817 -0.479 0.000) 0.947 14.643 ( 0.053 -1.371 0.000) 1.372 14.951 ( 1.531 3.323 0.000) 3.658 15.026 ( 0.408 0.721 0.000) 0.828 15.118 ( 0.040 1.193 0.000) 1.193 15.776 ( -3.653 0.516 0.000) 3.689 15.858 ( -1.414 -2.523 0.000) 2.892 22.674 ( 0.147 -0.343 0.000) 0.374 22.766 ( 0.085 0.039 0.000) 0.093 30.302 ( 1.419 -3.555 0.000) 3.828 30.875 ( 4.577 -2.643 0.000) 5.286 31.243 ( 3.598 -1.271 0.000) 3.816 31.475 ( 12.925 9.641 0.000) 16.124 32.574 ( -3.254 5.790 0.000) 6.642 34.613 ( -14.976 -14.901 0.000) 21.126 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 4.763 -20.243 0.000) 20.796 1.015 ( 17.924 -17.071 0.000) 24.753 1.590 ( 27.208 -25.224 0.000) 37.102 1.809 ( 16.428 -9.829 0.000) 19.144 2.469 ( -2.945 6.874 0.000) 7.479 2.569 ( 7.288 0.438 0.000) 7.301 2.685 ( -3.170 6.735 0.000) 7.444 2.702 ( -9.279 6.172 0.000) 11.144 2.902 ( 9.537 -12.048 0.000) 15.366 3.060 ( 1.459 6.731 0.000) 6.888 3.152 ( 2.920 1.570 0.000) 3.315 3.450 ( -3.023 -4.014 0.000) 5.025 4.355 ( -7.156 2.167 0.000) 7.477 4.426 ( -4.870 3.596 0.000) 6.054 4.706 ( 2.864 -3.416 0.000) 4.457 5.808 ( 0.543 -1.389 0.000) 1.491 6.179 ( -0.535 0.190 0.000) 0.567 6.484 ( -13.893 -2.172 0.000) 14.061 9.623 ( 0.893 -0.339 0.000) 0.955 9.766 ( 2.096 -2.056 0.000) 2.936 10.458 ( 0.540 -0.057 0.000) 0.544 10.718 ( 1.370 -0.662 0.000) 1.521 14.673 ( 0.082 -2.525 0.000) 2.527 14.912 ( -0.831 2.475 0.000) 2.610 15.012 ( -0.249 1.426 0.000) 1.448 15.093 ( 0.070 2.267 0.000) 2.269 15.721 ( -2.616 1.107 0.000) 2.841 15.865 ( -1.209 -0.844 0.000) 1.474 22.684 ( 0.266 -0.590 0.000) 0.647 22.766 ( 0.106 0.130 0.000) 0.168 30.408 ( 2.868 -6.980 0.000) 7.546 30.974 ( 4.018 -1.899 0.000) 4.444 31.334 ( 6.738 0.185 0.000) 6.740 31.544 ( 6.025 -3.595 0.000) 7.016 32.389 ( -5.869 10.622 0.000) 12.135 34.638 ( -5.271 -6.638 0.000) 8.477 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 4.060 -18.705 0.000) 19.140 1.488 ( 16.807 -15.560 0.000) 22.904 2.122 ( 11.058 -7.691 0.000) 13.470 2.226 ( -9.620 13.452 0.000) 16.537 2.262 ( 21.534 -20.531 0.000) 29.753 2.508 ( -5.681 5.671 0.000) 8.027 2.555 ( -2.775 6.164 0.000) 6.760 2.677 ( 9.773 -0.241 0.000) 9.776 2.982 ( 0.708 5.817 0.000) 5.860 3.059 ( 3.256 2.750 0.000) 4.262 3.360 ( 11.998 -14.756 0.000) 19.018 3.464 ( -2.736 -3.226 0.000) 4.230 4.212 ( -9.029 2.331 0.000) 9.325 4.286 ( -7.131 4.213 0.000) 8.282 4.797 ( 2.190 -4.069 0.000) 4.621 5.836 ( 0.546 -1.403 0.000) 1.505 6.168 ( -0.577 0.200 0.000) 0.611 6.311 ( -11.067 2.827 0.000) 11.422 9.644 ( 1.054 -0.545 0.000) 1.187 9.825 ( 2.080 -1.975 0.000) 2.868 10.470 ( 0.814 -0.334 0.000) 0.880 10.747 ( 1.443 -0.640 0.000) 1.578 14.718 ( 0.088 -3.309 0.000) 3.310 14.860 ( -1.474 2.288 0.000) 2.722 14.977 ( -1.120 1.997 0.000) 2.289 15.054 ( 0.073 3.085 0.000) 3.086 15.677 ( -1.772 0.780 0.000) 1.936 15.855 ( -1.202 -0.079 0.000) 1.204 22.698 ( 0.302 -0.659 0.000) 0.725 22.765 ( 0.086 0.213 0.000) 0.229 30.583 ( 4.347 -10.123 0.000) 11.017 31.035 ( 2.649 -0.795 0.000) 2.766 31.369 ( 1.710 2.239 0.000) 2.817 31.752 ( 8.873 -9.037 0.000) 12.665 32.116 ( -7.501 13.927 0.000) 15.819 34.664 ( -2.053 -3.291 0.000) 3.878 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 2.858 -15.671 0.000) 15.929 1.892 ( -9.568 12.404 0.000) 15.665 1.909 ( 14.041 -13.068 0.000) 19.181 2.327 ( 5.489 -4.714 0.000) 7.236 2.356 ( -2.772 7.058 0.000) 7.583 2.436 ( -3.224 4.538 0.000) 5.566 2.651 ( 8.033 -3.912 0.000) 8.935 2.912 ( 0.177 4.209 0.000) 4.212 2.921 ( 17.498 -7.128 0.000) 18.894 3.046 ( -0.058 -0.785 0.000) 0.787 3.474 ( -1.723 -2.203 0.000) 2.797 3.704 ( 9.027 -9.844 0.000) 13.356 4.062 ( -7.896 1.923 0.000) 8.127 4.130 ( -6.577 3.759 0.000) 7.575 4.884 ( 1.694 -4.344 0.000) 4.663 5.861 ( 0.401 -1.011 0.000) 1.088 6.121 ( -8.311 4.736 0.000) 9.566 6.159 ( -0.450 0.155 0.000) 0.476 9.664 ( 0.825 -0.475 0.000) 0.952 9.875 ( 1.492 -1.394 0.000) 2.042 10.487 ( 0.758 -0.422 0.000) 0.867 10.773 ( 1.083 -0.459 0.000) 1.176 14.770 ( 0.078 -3.502 0.000) 3.503 14.812 ( -1.216 1.664 0.000) 2.062 14.930 ( -1.379 1.894 0.000) 2.343 15.007 ( 0.042 3.368 0.000) 3.368 15.651 ( -0.980 0.379 0.000) 1.051 15.839 ( -0.918 0.163 0.000) 0.932 22.710 ( 0.225 -0.504 0.000) 0.552 22.763 ( 0.066 0.192 0.000) 0.203 30.820 ( 5.767 -12.752 0.000) 13.995 31.077 ( 2.462 -0.477 0.000) 2.508 31.336 ( -1.671 1.716 0.000) 2.395 31.792 ( -8.103 15.552 0.000) 17.536 31.987 ( 7.394 -6.905 0.000) 10.117 34.679 ( -0.788 -1.393 0.000) 1.601 ======================= Grid point 5 (6/144) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.180 -8.140 0.000) 8.142 1.660 ( -3.097 5.828 0.000) 6.599 2.223 ( 8.289 -8.035 0.000) 11.544 2.243 ( -0.406 4.508 0.000) 4.527 2.349 ( -2.042 1.744 0.000) 2.685 2.388 ( -0.971 0.890 0.000) 1.317 2.740 ( 2.932 -0.261 0.000) 2.943 2.870 ( 0.029 1.521 0.000) 1.521 2.992 ( 1.426 2.728 0.000) 3.079 3.261 ( 6.387 -7.241 0.000) 9.655 3.481 ( -0.572 -0.788 0.000) 0.974 3.845 ( -0.518 -2.203 0.000) 2.263 3.977 ( -1.095 0.729 0.000) 1.316 4.024 ( -2.555 1.692 0.000) 3.064 4.962 ( 1.183 -2.625 0.000) 2.879 5.875 ( 0.149 -0.366 0.000) 0.395 5.978 ( -3.501 2.663 0.000) 4.399 6.153 ( -0.172 0.060 0.000) 0.182 9.677 ( 0.309 -0.185 0.000) 0.361 9.903 ( 0.539 -0.500 0.000) 0.735 10.499 ( 0.310 -0.192 0.000) 0.364 10.788 ( 0.402 -0.168 0.000) 0.435 14.784 ( -0.442 0.593 0.000) 0.740 14.815 ( 0.040 -2.054 0.000) 2.055 14.894 ( -0.640 0.806 0.000) 1.029 14.964 ( 0.005 2.012 0.000) 2.012 15.639 ( -0.306 0.104 0.000) 0.323 15.828 ( -0.348 0.092 0.000) 0.360 22.717 ( 0.078 -0.182 0.000) 0.198 22.761 ( 0.031 0.071 0.000) 0.078 31.104 ( 6.576 -13.816 0.000) 15.301 31.112 ( 1.499 -0.279 0.000) 1.525 31.291 ( -1.552 0.753 0.000) 1.725 31.457 ( -7.432 14.838 0.000) 16.595 32.128 ( 2.763 -2.489 0.000) 3.719 34.685 ( -0.212 -0.355 0.000) 0.413 ======================= Grid point 12 (7/144) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 12.076 -0.000 0.000) 12.076 0.600 ( 22.326 -0.000 0.000) 22.326 1.206 ( 43.800 -0.000 0.000) 43.800 1.638 ( 24.058 -0.000 0.000) 24.058 2.561 ( -0.617 0.000 0.000) 0.617 2.582 ( 8.460 -0.000 0.000) 8.460 2.647 ( 5.357 -0.000 0.000) 5.357 2.782 ( -3.899 0.000 0.000) 3.899 2.821 ( -8.567 0.000 0.000) 8.567 3.211 ( -2.794 0.000 0.000) 2.794 3.255 ( -1.312 0.000 0.000) 1.312 3.329 ( -3.351 0.000 0.000) 3.351 4.414 ( -5.100 0.000 0.000) 5.100 4.615 ( 1.403 -0.000 0.000) 1.403 4.634 ( 1.101 -0.000 0.000) 1.101 5.785 ( 0.718 -0.000 0.000) 0.718 6.157 ( -13.399 0.000 0.000) 13.399 6.182 ( -0.544 0.000 0.000) 0.544 9.618 ( 0.623 -0.000 0.000) 0.623 9.734 ( 2.939 -0.000 0.000) 2.939 10.473 ( 1.352 -0.000 0.000) 1.352 10.707 ( 1.676 -0.000 0.000) 1.676 14.634 ( 0.116 -0.000 0.000) 0.116 14.988 ( -2.069 0.000 0.000) 2.069 14.992 ( -2.619 0.000 0.000) 2.619 15.128 ( 0.097 -0.000 0.000) 0.097 15.740 ( -2.019 0.000 0.000) 2.019 15.828 ( 0.034 -0.000 0.000) 0.034 22.674 ( 0.267 -0.000 0.000) 0.267 22.768 ( 0.175 -0.000 0.000) 0.175 30.303 ( 2.694 -0.000 0.000) 2.694 30.956 ( 9.829 -0.000 0.000) 9.829 31.300 ( 6.642 -0.000 0.000) 6.642 31.764 ( 4.646 -0.000 0.000) 4.646 32.553 ( -6.243 0.000 0.000) 6.243 34.296 ( -2.620 0.000 0.000) 2.620 ======================= Grid point 13 (8/144) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 9.418 -13.085 0.000) 16.122 1.013 ( 19.627 -14.251 0.000) 24.255 1.815 ( 37.605 -6.458 0.000) 38.156 1.977 ( 21.588 -2.463 0.000) 21.728 2.521 ( -1.919 4.025 0.000) 4.459 2.639 ( -12.045 5.325 0.000) 13.170 2.673 ( 7.946 1.199 0.000) 8.036 2.705 ( -4.513 2.428 0.000) 5.125 2.867 ( 11.968 -12.596 0.000) 17.375 3.125 ( -3.262 3.772 0.000) 4.987 3.209 ( -1.064 2.824 0.000) 3.018 3.324 ( -4.926 -5.141 0.000) 7.120 4.312 ( -6.787 2.899 0.000) 7.380 4.516 ( 0.457 11.520 0.000) 11.529 4.680 ( 1.210 -3.074 0.000) 3.303 5.802 ( 0.929 -0.718 0.000) 1.174 6.089 ( -19.953 -15.231 0.000) 25.101 6.173 ( -0.597 0.110 0.000) 0.607 9.630 ( 0.879 -0.277 0.000) 0.922 9.785 ( 3.693 -0.669 0.000) 3.753 10.485 ( 1.813 0.999 0.000) 2.070 10.736 ( 2.218 -0.234 0.000) 2.231 14.646 ( 0.158 -1.339 0.000) 1.348 14.922 ( -2.547 1.954 0.000) 3.210 14.983 ( -3.417 -1.666 0.000) 3.801 15.121 ( 0.151 1.219 0.000) 1.228 15.701 ( -2.383 0.857 0.000) 2.532 15.837 ( -0.552 -0.904 0.000) 1.059 22.681 ( 0.352 -0.354 0.000) 0.499 22.770 ( 0.200 0.103 0.000) 0.226 30.374 ( 3.861 -3.713 0.000) 5.356 31.081 ( 10.633 2.957 0.000) 11.037 31.454 ( 11.413 -4.611 0.000) 12.309 31.717 ( 7.868 12.816 0.000) 15.038 32.413 ( -8.388 5.449 0.000) 10.002 34.375 ( -6.320 -13.653 0.000) 15.045 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 7.097 -15.567 0.000) 17.108 1.487 ( 17.597 -15.564 0.000) 23.492 2.215 ( 14.562 -2.221 0.000) 14.730 2.297 ( -10.275 13.598 0.000) 17.043 2.406 ( 28.988 -7.507 0.000) 29.944 2.459 ( -7.687 1.430 0.000) 7.819 2.604 ( -3.104 4.467 0.000) 5.439 2.770 ( 7.103 -0.840 0.000) 7.153 3.026 ( -4.002 3.233 0.000) 5.145 3.146 ( 0.235 3.188 0.000) 3.196 3.272 ( 10.907 -16.841 0.000) 20.064 3.342 ( -4.805 -6.151 0.000) 7.805 4.168 ( -5.978 4.013 0.000) 7.200 4.332 ( -1.984 11.019 0.000) 11.196 4.747 ( 0.344 -4.303 0.000) 4.317 5.828 ( 0.925 -1.034 0.000) 1.387 6.026 ( -19.625 -11.909 0.000) 22.956 6.164 ( -0.498 0.168 0.000) 0.526 9.649 ( 0.916 -0.501 0.000) 1.044 9.845 ( 3.666 -0.596 0.000) 3.714 10.495 ( 1.966 0.971 0.000) 2.193 10.769 ( 2.338 0.020 0.000) 2.338 14.676 ( 0.168 -2.459 0.000) 2.465 14.862 ( -2.600 1.575 0.000) 3.040 14.951 ( -3.972 -0.777 0.000) 4.047 15.096 ( 0.169 2.340 0.000) 2.346 15.661 ( -1.958 0.505 0.000) 2.022 15.836 ( -0.894 -0.348 0.000) 0.960 22.693 ( 0.372 -0.553 0.000) 0.666 22.770 ( 0.171 0.237 0.000) 0.292 30.515 ( 4.935 -7.421 0.000) 8.912 31.153 ( 9.942 5.180 0.000) 11.211 31.579 ( 9.978 13.364 0.000) 16.678 31.762 ( 10.604 -7.125 0.000) 12.776 32.179 ( -9.417 9.813 0.000) 13.601 34.479 ( -6.957 -12.075 0.000) 13.936 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 5.114 -15.005 0.000) 15.853 1.921 ( 15.538 -12.826 0.000) 20.148 1.957 ( -9.300 13.036 0.000) 16.013 2.345 ( -6.435 0.769 0.000) 6.481 2.395 ( 9.255 -0.455 0.000) 9.266 2.486 ( -2.681 6.513 0.000) 7.043 2.740 ( 9.141 0.058 0.000) 9.141 2.925 ( -4.943 2.102 0.000) 5.371 2.942 ( 8.675 -7.429 0.000) 11.421 3.096 ( 0.840 1.595 0.000) 1.803 3.376 ( -3.634 -6.029 0.000) 7.040 3.591 ( 1.098 -12.495 0.000) 12.544 4.076 ( 1.992 4.028 0.000) 4.494 4.173 ( -0.221 7.171 0.000) 7.174 4.815 ( -0.514 -5.346 0.000) 5.371 5.854 ( 0.742 -0.924 0.000) 1.185 5.926 ( -16.542 -7.774 0.000) 18.278 6.156 ( -0.275 0.150 0.000) 0.314 9.667 ( 0.630 -0.459 0.000) 0.779 9.896 ( 3.051 -0.015 0.000) 3.051 10.507 ( 1.746 0.807 0.000) 1.923 10.795 ( 2.035 0.493 0.000) 2.094 14.721 ( 0.155 -3.228 0.000) 3.232 14.810 ( -2.183 1.061 0.000) 2.427 14.906 ( -3.779 -0.369 0.000) 3.797 15.057 ( 0.135 3.202 0.000) 3.205 15.636 ( -1.383 -0.124 0.000) 1.389 15.827 ( -0.762 -0.120 0.000) 0.772 22.706 ( 0.295 -0.526 0.000) 0.603 22.768 ( 0.134 0.308 0.000) 0.336 30.722 ( 5.863 -10.882 0.000) 12.361 31.204 ( 9.930 5.936 0.000) 11.569 31.491 ( 7.573 12.854 0.000) 14.919 31.885 ( -9.371 12.741 0.000) 15.816 32.007 ( 9.382 -5.683 0.000) 10.969 34.544 ( -6.816 -9.355 0.000) 11.575 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 2.127 -11.146 0.000) 11.348 1.722 ( -1.861 6.489 0.000) 6.751 2.258 ( 12.037 -6.955 0.000) 13.902 2.283 ( -3.033 -1.130 0.000) 3.237 2.342 ( -3.552 6.918 0.000) 7.777 2.447 ( 1.855 4.383 0.000) 4.760 2.771 ( 0.179 2.139 0.000) 2.147 2.841 ( -5.424 -0.331 0.000) 5.434 2.933 ( -9.725 -0.770 0.000) 9.756 3.249 ( 5.634 -5.587 0.000) 7.934 3.418 ( -2.360 -4.953 0.000) 5.487 3.696 ( -3.908 -7.736 0.000) 8.667 4.061 ( 5.838 5.598 0.000) 8.088 4.142 ( 6.367 4.661 0.000) 7.891 4.895 ( -0.888 -6.143 0.000) 6.207 5.838 ( -11.909 -7.120 0.000) 13.875 5.873 ( 0.445 -0.478 0.000) 0.653 6.153 ( 0.043 0.059 0.000) 0.073 9.677 ( 0.114 -0.179 0.000) 0.212 9.924 ( 2.075 0.871 0.000) 2.251 10.515 ( 1.198 0.886 0.000) 1.490 10.807 ( 1.410 1.024 0.000) 1.742 14.773 ( 0.122 -3.406 0.000) 3.408 14.777 ( -1.408 0.090 0.000) 1.410 14.870 ( -2.671 -0.904 0.000) 2.820 15.008 ( 0.072 3.491 0.000) 3.492 15.627 ( -0.848 -0.614 0.000) 1.047 15.822 ( -0.308 -0.254 0.000) 0.399 22.715 ( 0.150 -0.303 0.000) 0.338 22.765 ( 0.096 0.283 0.000) 0.299 30.987 ( 6.423 -13.604 0.000) 15.044 31.231 ( 8.002 7.243 0.000) 10.793 31.428 ( 9.201 10.005 0.000) 13.592 31.566 ( -8.378 14.008 0.000) 16.322 32.152 ( 4.731 -0.887 0.000) 4.814 34.578 ( -6.717 -7.553 0.000) 10.108 ======================= Grid point 17 (12/144) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 1.729 -5.402 0.000) 5.672 1.727 ( 5.260 1.117 0.000) 5.378 2.214 ( -2.155 2.385 0.000) 3.215 2.264 ( -8.071 10.311 0.000) 13.094 2.309 ( -0.600 -4.815 0.000) 4.852 2.460 ( 7.384 2.367 0.000) 7.754 2.670 ( -11.133 -0.631 0.000) 11.151 2.796 ( -5.489 -3.408 0.000) 6.461 2.860 ( -5.064 -2.384 0.000) 5.597 3.283 ( -3.282 3.483 0.000) 4.785 3.457 ( -1.200 -3.417 0.000) 3.622 3.745 ( -4.585 -4.631 0.000) 6.517 4.079 ( 8.281 3.875 0.000) 9.143 4.170 ( 9.158 4.882 0.000) 10.378 4.936 ( -3.050 -2.128 0.000) 3.719 5.853 ( -5.915 -11.546 0.000) 12.973 5.879 ( 0.130 0.160 0.000) 0.206 6.156 ( 0.360 -0.054 0.000) 0.364 9.674 ( -0.451 0.204 0.000) 0.495 9.924 ( 0.981 1.857 0.000) 2.100 10.512 ( 0.565 1.155 0.000) 1.286 10.802 ( 0.652 1.481 0.000) 1.618 14.771 ( -0.549 -1.083 0.000) 1.215 14.817 ( 0.058 -1.901 0.000) 1.902 14.866 ( -1.209 -2.116 0.000) 2.437 14.964 ( 0.031 2.069 0.000) 2.069 15.631 ( -0.320 -0.962 0.000) 1.013 15.827 ( 0.244 -0.533 0.000) 0.586 22.718 ( 0.015 0.024 0.000) 0.028 22.762 ( 0.038 0.188 0.000) 0.192 31.201 ( 5.206 7.992 0.000) 9.538 31.202 ( -3.221 6.541 0.000) 7.291 31.344 ( 2.944 -8.050 0.000) 8.572 31.442 ( 11.734 7.982 0.000) 14.192 32.154 ( -0.453 4.341 0.000) 4.365 34.593 ( -6.540 -6.712 0.000) 9.371 ======================= Grid point 18 (13/144) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.457 11.676 0.000) 11.685 1.857 ( 9.799 -9.099 0.000) 13.372 1.925 ( -14.511 13.791 0.000) 20.019 2.256 ( 0.739 -8.369 0.000) 8.402 2.372 ( -6.849 7.700 0.000) 10.305 2.398 ( 1.514 -5.876 0.000) 6.068 2.598 ( -3.903 -1.366 0.000) 4.135 2.782 ( -7.816 5.782 0.000) 9.722 2.797 ( -5.247 -6.367 0.000) 8.250 3.108 ( -4.082 8.671 0.000) 9.584 3.486 ( -0.130 -1.830 0.000) 1.835 3.652 ( -10.987 3.517 0.000) 11.537 4.188 ( 11.665 0.302 0.000) 11.669 4.247 ( 10.437 2.362 0.000) 10.701 4.887 ( -4.218 1.359 0.000) 4.432 5.872 ( -0.103 0.836 0.000) 0.842 6.007 ( -2.024 -15.555 0.000) 15.687 6.163 ( 0.538 -0.137 0.000) 0.555 9.660 ( -0.861 0.529 0.000) 1.010 9.896 ( 0.011 2.729 0.000) 2.729 10.498 ( 0.180 1.345 0.000) 1.357 10.782 ( -0.009 1.749 0.000) 1.749 14.793 ( 0.181 -2.172 0.000) 2.180 14.815 ( -0.013 2.175 0.000) 2.175 14.896 ( -0.407 -3.062 0.000) 3.089 14.964 ( 0.021 -1.949 0.000) 1.949 15.647 ( 0.265 -1.307 0.000) 1.334 15.843 ( 0.659 -0.729 0.000) 0.983 22.715 ( -0.089 0.405 0.000) 0.415 22.761 ( -0.000 0.020 0.000) 0.020 30.942 ( -5.136 13.565 0.000) 14.504 31.151 ( 4.386 7.318 0.000) 8.532 31.475 ( 10.220 8.048 0.000) 13.008 31.646 ( 6.196 -16.938 0.000) 18.035 32.022 ( -4.196 8.880 0.000) 9.821 34.605 ( -5.935 -6.271 0.000) 8.634 ======================= Grid point 19 (14/144) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -1.733 18.522 0.000) 18.603 1.499 ( -16.056 15.813 0.000) 22.535 2.125 ( -11.012 9.234 0.000) 14.371 2.163 ( 9.498 -12.271 0.000) 15.517 2.404 ( -10.714 25.386 0.000) 27.554 2.423 ( 1.954 -10.474 0.000) 10.654 2.517 ( 3.166 -6.488 0.000) 7.219 2.552 ( -4.086 0.871 0.000) 4.178 2.838 ( -5.030 -8.228 0.000) 9.644 3.022 ( -0.711 0.621 0.000) 0.944 3.381 ( -12.204 10.341 0.000) 15.997 3.507 ( 0.749 -0.372 0.000) 0.836 4.339 ( 10.903 0.591 0.000) 10.919 4.372 ( 9.985 -0.261 0.000) 9.989 4.797 ( -4.974 2.336 0.000) 5.495 5.852 ( -0.216 1.408 0.000) 1.424 6.173 ( 0.516 -0.187 0.000) 0.549 6.233 ( -0.052 -16.315 0.000) 16.315 9.638 ( -0.939 0.654 0.000) 1.144 9.847 ( -0.598 3.277 0.000) 3.331 10.480 ( 0.210 1.247 0.000) 1.265 10.753 ( -0.396 1.768 0.000) 1.812 14.769 ( -0.030 3.563 0.000) 3.564 14.834 ( 0.293 -2.779 0.000) 2.794 14.938 ( -0.444 -3.177 0.000) 3.208 15.006 ( -0.006 -3.278 0.000) 3.278 15.677 ( 0.871 -1.779 0.000) 1.981 15.864 ( 0.814 -0.681 0.000) 1.062 22.705 ( -0.141 0.704 0.000) 0.718 22.762 ( -0.011 -0.120 0.000) 0.120 30.695 ( -3.348 12.023 0.000) 12.480 31.099 ( 3.186 6.946 0.000) 7.642 31.459 ( 5.008 8.321 0.000) 9.712 31.808 ( -4.039 11.497 0.000) 12.186 31.972 ( 5.010 -16.709 0.000) 17.444 34.624 ( -4.316 -5.677 0.000) 7.131 ======================= Grid point 20 (15/144) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -1.576 21.162 0.000) 21.221 1.045 ( -13.629 18.344 0.000) 22.852 1.810 ( -9.662 15.436 0.000) 18.211 1.822 ( -9.217 32.539 0.000) 33.819 2.402 ( 3.090 -7.740 0.000) 8.334 2.486 ( -3.257 0.881 0.000) 3.374 2.594 ( 1.307 -9.345 0.000) 9.436 2.704 ( 7.611 -9.147 0.000) 11.899 2.894 ( -5.659 -8.723 0.000) 10.398 2.988 ( -0.512 7.917 0.000) 7.933 3.108 ( -6.370 4.137 0.000) 7.595 3.514 ( 0.980 1.141 0.000) 1.504 4.450 ( 6.845 0.745 0.000) 6.885 4.495 ( 7.743 0.332 0.000) 7.750 4.692 ( -5.464 2.049 0.000) 5.835 5.826 ( -0.193 1.701 0.000) 1.712 6.182 ( 0.316 -0.214 0.000) 0.382 6.476 ( 1.789 -14.817 0.000) 14.925 9.619 ( -0.605 0.505 0.000) 0.788 9.789 ( -0.648 3.324 0.000) 3.387 10.469 ( 0.413 0.904 0.000) 0.993 10.722 ( -0.424 1.524 0.000) 1.582 14.716 ( -0.026 3.357 0.000) 3.357 14.875 ( -0.374 -2.622 0.000) 2.649 14.974 ( -0.545 -2.576 0.000) 2.633 15.053 ( -0.016 -3.026 0.000) 3.026 15.722 ( 1.192 -2.375 0.000) 2.657 15.882 ( 0.667 -0.311 0.000) 0.736 22.692 ( -0.107 0.773 0.000) 0.781 22.763 ( -0.022 -0.127 0.000) 0.129 30.502 ( -1.592 9.689 0.000) 9.819 31.018 ( 0.207 7.295 0.000) 7.298 31.371 ( 0.542 7.353 0.000) 7.373 31.603 ( -1.429 11.233 0.000) 11.324 32.259 ( 2.889 -14.702 0.000) 14.983 34.664 ( -1.193 -4.926 0.000) 5.068 ======================= Grid point 21 (16/144) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.000 21.328 0.000) 21.328 0.686 ( 0.000 22.691 0.000) 22.691 1.206 ( 0.000 39.369 0.000) 39.369 1.508 ( 0.000 15.284 0.000) 15.284 2.456 ( -0.000 -0.240 0.000) 0.240 2.503 ( -0.000 -4.397 0.000) 4.397 2.725 ( -0.000 -6.997 0.000) 6.997 2.794 ( 0.000 12.856 0.000) 12.856 2.891 ( -0.000 -3.911 0.000) 3.911 2.985 ( -0.000 -12.341 0.000) 12.341 3.081 ( -0.000 -1.326 0.000) 1.326 3.492 ( 0.000 3.106 0.000) 3.106 4.488 ( 0.000 0.475 0.000) 0.475 4.538 ( 0.000 2.025 0.000) 2.025 4.627 ( 0.000 0.393 0.000) 0.393 5.800 ( 0.000 1.535 0.000) 1.535 6.187 ( -0.000 -0.199 0.000) 0.199 6.698 ( -0.000 -11.758 0.000) 11.758 9.609 ( 0.000 0.172 0.000) 0.172 9.738 ( 0.000 2.744 0.000) 2.744 10.462 ( 0.000 0.550 0.000) 0.550 10.700 ( 0.000 1.014 0.000) 1.014 14.672 ( 0.000 2.552 0.000) 2.552 14.902 ( -0.000 -1.752 0.000) 1.752 15.001 ( -0.000 -1.757 0.000) 1.757 15.092 ( -0.000 -2.245 0.000) 2.245 15.772 ( -0.000 -2.700 0.000) 2.700 15.888 ( 0.000 0.267 0.000) 0.267 22.681 ( 0.000 0.623 0.000) 0.623 22.765 ( -0.000 -0.072 0.000) 0.072 30.369 ( 0.000 6.823 0.000) 6.823 30.909 ( 0.000 6.136 0.000) 6.136 31.287 ( 0.000 4.946 0.000) 4.946 31.434 ( 0.000 9.236 0.000) 9.236 32.470 ( -0.000 -10.952 0.000) 10.952 34.734 ( -0.000 -4.268 0.000) 4.268 ======================= Grid point 24 (17/144) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 11.359 -0.000 0.000) 11.359 1.176 ( 20.570 -0.000 0.000) 20.570 2.233 ( 17.491 -0.000 0.000) 17.491 2.289 ( 36.572 -0.000 0.000) 36.572 2.477 ( -10.445 0.000 0.000) 10.445 2.579 ( -4.414 0.000 0.000) 4.414 2.632 ( -7.229 0.000 0.000) 7.229 2.831 ( 7.649 -0.000 0.000) 7.649 2.889 ( 13.289 -0.000 0.000) 13.289 3.085 ( -6.535 0.000 0.000) 6.535 3.197 ( -2.976 0.000 0.000) 2.976 3.207 ( -5.560 0.000 0.000) 5.560 4.237 ( -7.656 0.000 0.000) 7.656 4.647 ( 1.131 -0.000 0.000) 1.131 4.670 ( 1.355 -0.000 0.000) 1.355 5.670 ( -22.030 0.000 0.000) 22.030 5.811 ( 1.174 -0.000 0.000) 1.174 6.167 ( -0.528 0.000 0.000) 0.528 9.640 ( 0.961 -0.000 0.000) 0.961 9.837 ( 4.487 -0.000 0.000) 4.487 10.519 ( 2.036 -0.000 0.000) 2.036 10.769 ( 2.816 -0.000 0.000) 2.816 14.638 ( 0.218 -0.000 0.000) 0.218 14.897 ( -4.306 0.000 0.000) 4.306 14.914 ( -3.363 0.000 0.000) 3.363 15.132 ( 0.229 -0.000 0.000) 0.229 15.674 ( -2.690 0.000 0.000) 2.690 15.827 ( -0.163 0.000 0.000) 0.163 22.684 ( 0.393 -0.000 0.000) 0.393 22.774 ( 0.236 -0.000 0.000) 0.236 30.403 ( 4.616 -0.000 0.000) 4.616 31.291 ( 14.245 -0.000 0.000) 14.245 31.561 ( 12.814 -0.000 0.000) 12.814 31.942 ( 8.442 -0.000 0.000) 8.442 32.329 ( -9.964 0.000 0.000) 9.964 34.186 ( -5.687 0.000 0.000) 5.687 ======================= Grid point 25 (18/144) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 9.771 -8.292 0.000) 12.815 1.522 ( 17.906 -10.551 0.000) 20.784 2.281 ( -14.261 4.081 0.000) 14.833 2.405 ( 11.379 1.501 0.000) 11.478 2.419 ( -6.272 7.613 0.000) 9.864 2.587 ( -3.886 -0.723 0.000) 3.953 2.733 ( 25.253 -0.499 0.000) 25.258 2.880 ( 8.140 2.919 0.000) 8.648 2.980 ( -7.263 1.241 0.000) 7.368 3.124 ( -1.303 -2.678 0.000) 2.979 3.176 ( -5.770 -5.705 0.000) 8.114 3.203 ( 7.402 -9.004 0.000) 11.656 4.139 ( -3.895 0.941 0.000) 4.007 4.526 ( 0.205 14.503 0.000) 14.504 4.702 ( 0.547 -2.126 0.000) 2.196 5.519 ( -21.565 -16.422 0.000) 27.106 5.831 ( 1.189 -0.484 0.000) 1.284 6.160 ( -0.383 0.077 0.000) 0.391 9.655 ( 0.935 -0.240 0.000) 0.965 9.898 ( 4.447 0.077 0.000) 4.448 10.540 ( 2.169 0.956 0.000) 2.370 10.807 ( 2.960 0.213 0.000) 2.967 14.651 ( 0.239 -1.291 0.000) 1.313 14.834 ( -3.955 0.399 0.000) 3.975 14.875 ( -4.153 -1.051 0.000) 4.284 15.126 ( 0.260 1.274 0.000) 1.300 15.637 ( -2.380 0.134 0.000) 2.384 15.824 ( -0.443 -0.041 0.000) 0.445 22.691 ( 0.385 -0.337 0.000) 0.511 22.776 ( 0.211 0.165 0.000) 0.268 30.497 ( 5.176 -4.002 0.000) 6.542 31.418 ( 13.983 7.105 0.000) 15.685 31.808 ( 14.530 -6.432 0.000) 15.890 31.952 ( 9.888 13.499 0.000) 16.733 32.155 ( -10.394 4.946 0.000) 11.511 34.191 ( -8.010 -11.063 0.000) 13.659 ======================= Grid point 26 (19/144) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 7.423 -11.157 0.000) 13.401 1.923 ( 14.270 -13.630 0.000) 19.734 2.005 ( -10.140 9.387 0.000) 13.818 2.250 ( -8.418 1.454 0.000) 8.542 2.504 ( 4.592 0.248 0.000) 4.599 2.523 ( -3.216 3.099 0.000) 4.466 2.838 ( 0.532 1.374 0.000) 1.474 2.857 ( -8.245 1.339 0.000) 8.353 2.964 ( -3.159 3.043 0.000) 4.386 3.169 ( 13.365 0.999 0.000) 13.402 3.212 ( -4.599 -8.152 0.000) 9.359 3.428 ( 1.157 -10.309 0.000) 10.374 4.155 ( 5.659 -1.228 0.000) 5.791 4.332 ( 2.373 11.564 0.000) 11.805 4.739 ( -0.670 -3.096 0.000) 3.168 5.501 ( -18.534 -15.964 0.000) 24.462 5.854 ( 0.993 -0.619 0.000) 1.171 6.155 ( -0.169 0.061 0.000) 0.180 9.670 ( 0.665 -0.225 0.000) 0.702 9.948 ( 3.812 0.668 0.000) 3.870 10.551 ( 2.049 1.352 0.000) 2.455 10.837 ( 2.676 0.847 0.000) 2.807 14.682 ( 0.223 -2.381 0.000) 2.391 14.782 ( -3.397 0.031 0.000) 3.397 14.836 ( -4.000 -1.200 0.000) 4.176 15.102 ( 0.222 2.456 0.000) 2.466 15.611 ( -1.848 -0.390 0.000) 1.889 15.818 ( -0.512 -0.016 0.000) 0.513 22.702 ( 0.305 -0.476 0.000) 0.565 22.775 ( 0.171 0.309 0.000) 0.353 30.658 ( 5.526 -8.046 0.000) 9.761 31.483 ( 13.744 8.923 0.000) 16.387 31.855 ( 10.973 17.078 0.000) 20.299 31.917 ( -9.755 8.879 0.000) 13.190 32.074 ( 12.312 -4.160 0.000) 12.996 34.256 ( -9.893 -13.163 0.000) 16.467 ======================= Grid point 27 (20/144) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 4.562 -10.479 0.000) 11.429 1.795 ( -1.781 6.275 0.000) 6.523 2.162 ( -7.479 -4.017 0.000) 8.489 2.264 ( 6.768 -11.342 0.000) 13.208 2.412 ( -2.734 6.359 0.000) 6.922 2.485 ( -4.569 1.885 0.000) 4.943 2.731 ( -9.263 -0.483 0.000) 9.276 2.748 ( -16.971 1.797 0.000) 17.066 2.856 ( 5.037 3.261 0.000) 6.000 3.282 ( -3.234 -8.048 0.000) 8.673 3.291 ( 6.612 2.237 0.000) 6.980 3.573 ( 2.160 -7.271 0.000) 7.585 4.242 ( 7.370 4.495 0.000) 8.632 4.287 ( 7.509 3.306 0.000) 8.205 4.786 ( -1.475 -5.353 0.000) 5.553 5.488 ( -15.655 -13.668 0.000) 20.782 5.873 ( 0.659 -0.423 0.000) 0.784 6.154 ( 0.109 -0.049 0.000) 0.120 9.677 ( 0.217 0.039 0.000) 0.220 9.976 ( 2.820 1.557 0.000) 3.221 10.553 ( 1.586 1.602 0.000) 2.254 10.851 ( 2.075 1.623 0.000) 2.634 14.726 ( 0.180 -3.138 0.000) 3.143 14.746 ( -2.602 -0.702 0.000) 2.695 14.810 ( -2.842 -1.662 0.000) 3.292 15.061 ( 0.139 3.341 0.000) 3.344 15.600 ( -1.347 -1.006 0.000) 1.681 15.814 ( -0.286 -0.290 0.000) 0.407 22.712 ( 0.173 -0.389 0.000) 0.425 22.771 ( 0.138 0.375 0.000) 0.400 30.878 ( 5.551 -11.733 0.000) 12.980 31.506 ( 11.270 11.209 0.000) 15.895 31.644 ( -8.262 11.528 0.000) 14.183 31.777 ( 13.330 14.507 0.000) 19.701 32.237 ( 8.521 1.215 0.000) 8.608 34.305 ( -11.074 -12.388 0.000) 16.616 ======================= Grid point 28 (21/144) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 3.761 -7.604 0.000) 8.483 1.801 ( 6.517 -1.228 0.000) 6.632 2.158 ( -6.219 -5.931 0.000) 8.594 2.239 ( -14.246 4.980 0.000) 15.092 2.282 ( -1.055 5.513 0.000) 5.613 2.392 ( -20.087 -3.919 0.000) 20.465 2.613 ( 8.270 1.269 0.000) 8.367 2.636 ( -9.635 -3.971 0.000) 10.421 2.889 ( 4.752 2.878 0.000) 5.556 3.286 ( -1.255 3.072 0.000) 3.319 3.357 ( -2.059 -6.784 0.000) 7.090 3.672 ( 0.573 -1.313 0.000) 1.433 4.263 ( 8.632 4.831 0.000) 9.892 4.353 ( 8.645 3.258 0.000) 9.238 4.837 ( -3.210 -4.630 0.000) 5.634 5.515 ( -12.427 -16.215 0.000) 20.429 5.883 ( 0.312 -0.002 0.000) 0.312 6.159 ( 0.356 -0.165 0.000) 0.393 9.674 ( -0.240 0.422 0.000) 0.485 9.976 ( 1.709 2.536 0.000) 3.058 10.545 ( 0.971 1.832 0.000) 2.074 10.844 ( 1.332 2.295 0.000) 2.654 14.736 ( -1.600 -1.719 0.000) 2.348 14.776 ( 0.116 -3.302 0.000) 3.304 14.812 ( -1.408 -2.478 0.000) 2.850 15.010 ( 0.063 3.593 0.000) 3.594 15.604 ( -0.868 -1.516 0.000) 1.747 15.820 ( 0.042 -0.723 0.000) 0.724 22.718 ( 0.057 -0.167 0.000) 0.176 22.767 ( 0.096 0.376 0.000) 0.388 31.140 ( 4.557 -13.096 0.000) 13.866 31.372 ( -5.683 11.303 0.000) 12.651 31.457 ( 8.731 12.689 0.000) 15.402 31.773 ( 13.251 11.430 0.000) 17.500 32.265 ( 5.413 7.433 0.000) 9.195 34.332 ( -11.327 -11.797 0.000) 16.354 ======================= Grid point 29 (22/144) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 4.247 -1.761 0.000) 4.598 1.906 ( -15.613 10.893 0.000) 19.037 1.913 ( 8.309 0.033 0.000) 8.309 2.140 ( -2.909 -5.875 0.000) 6.556 2.182 ( -18.537 -4.075 0.000) 18.980 2.307 ( 0.111 -6.843 0.000) 6.844 2.597 ( -8.771 -7.520 0.000) 11.553 2.698 ( 8.892 5.593 0.000) 10.505 2.874 ( 3.115 6.989 0.000) 7.652 3.163 ( -5.484 7.075 0.000) 8.952 3.425 ( -1.024 -5.151 0.000) 5.252 3.589 ( -6.566 6.045 0.000) 8.925 4.364 ( 12.080 1.290 0.000) 12.148 4.422 ( 8.964 2.883 0.000) 9.416 4.821 ( -5.201 -1.056 0.000) 5.307 5.648 ( -9.216 -21.360 0.000) 23.264 5.882 ( 0.070 0.529 0.000) 0.534 6.168 ( 0.431 -0.210 0.000) 0.480 9.660 ( -0.512 0.759 0.000) 0.916 9.948 ( 0.718 3.394 0.000) 3.469 10.527 ( 0.489 1.886 0.000) 1.949 10.820 ( 0.653 2.681 0.000) 2.759 14.753 ( -0.677 -2.638 0.000) 2.724 14.818 ( 0.043 -1.773 0.000) 1.774 14.842 ( -0.511 -3.127 0.000) 3.168 14.965 ( 0.030 2.091 0.000) 2.091 15.621 ( -0.386 -1.949 0.000) 1.987 15.836 ( 0.270 -1.084 0.000) 1.117 22.718 ( -0.003 0.147 0.000) 0.147 22.763 ( 0.046 0.281 0.000) 0.285 31.079 ( -3.847 13.039 0.000) 13.595 31.383 ( 7.702 11.992 0.000) 14.252 31.465 ( 3.907 -16.513 0.000) 16.969 31.751 ( 6.587 10.565 0.000) 12.450 32.177 ( 4.886 13.139 0.000) 14.018 34.362 ( -9.692 -11.603 0.000) 15.118 ======================= Grid point 30 (23/144) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -10.503 14.337 0.000) 17.772 1.585 ( -0.087 15.641 0.000) 15.641 2.022 ( -10.974 -0.703 0.000) 10.996 2.116 ( 7.858 -9.805 0.000) 12.565 2.274 ( 0.218 -11.674 0.000) 11.676 2.429 ( 0.905 -8.873 0.000) 8.919 2.625 ( -6.120 -9.602 0.000) 11.386 2.647 ( 2.880 15.197 0.000) 15.468 2.708 ( 0.513 17.524 0.000) 17.532 3.027 ( -1.695 1.511 0.000) 2.271 3.374 ( -7.594 8.509 0.000) 11.405 3.480 ( -0.197 -3.421 0.000) 3.427 4.487 ( 7.912 1.545 0.000) 8.061 4.518 ( 9.729 1.207 0.000) 9.804 4.739 ( -6.853 0.995 0.000) 6.925 5.870 ( -0.033 1.090 0.000) 1.090 5.890 ( -4.736 -23.620 0.000) 24.090 6.176 ( 0.290 -0.205 0.000) 0.355 9.640 ( -0.443 0.907 0.000) 1.010 9.899 ( 0.079 3.921 0.000) 3.922 10.505 ( 0.249 1.621 0.000) 1.640 10.785 ( 0.173 2.692 0.000) 2.698 14.791 ( -0.241 -3.035 0.000) 3.045 14.814 ( -0.001 2.236 0.000) 2.236 14.885 ( -0.199 -3.236 0.000) 3.243 14.965 ( 0.015 -1.914 0.000) 1.914 15.651 ( 0.025 -2.382 0.000) 2.382 15.857 ( 0.285 -1.211 0.000) 1.245 22.713 ( -0.025 0.536 0.000) 0.536 22.761 ( 0.016 0.066 0.000) 0.067 30.846 ( -1.894 13.043 0.000) 13.180 31.300 ( 5.194 11.497 0.000) 12.616 31.633 ( -0.639 9.889 0.000) 9.910 31.765 ( 2.383 -17.853 0.000) 18.012 32.020 ( 4.246 16.258 0.000) 16.804 34.425 ( -5.427 -10.895 0.000) 12.171 ======================= Grid point 31 (24/144) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 17.906 0.000) 17.906 1.317 ( 0.000 19.647 0.000) 19.647 1.903 ( 0.000 7.222 0.000) 7.222 2.266 ( 0.000 31.207 0.000) 31.207 2.310 ( -0.000 -8.612 0.000) 8.612 2.449 ( -0.000 -11.287 0.000) 11.287 2.540 ( 0.000 8.646 0.000) 8.646 2.604 ( -0.000 -12.372 0.000) 12.372 2.710 ( -0.000 -8.183 0.000) 8.183 3.033 ( -0.000 -1.586 0.000) 1.586 3.174 ( 0.000 11.012 0.000) 11.012 3.516 ( -0.000 -1.433 0.000) 1.433 4.519 ( 0.000 1.548 0.000) 1.548 4.610 ( 0.000 2.750 0.000) 2.750 4.631 ( -0.000 -0.207 0.000) 0.207 5.850 ( 0.000 1.551 0.000) 1.551 6.181 ( -0.000 -0.205 0.000) 0.205 6.199 ( -0.000 -21.598 0.000) 21.598 9.624 ( 0.000 0.793 0.000) 0.793 9.840 ( 0.000 3.938 0.000) 3.938 10.487 ( 0.000 1.173 0.000) 1.173 10.749 ( 0.000 2.310 0.000) 2.310 14.768 ( 0.000 3.583 0.000) 3.583 14.832 ( -0.000 -2.830 0.000) 2.830 14.930 ( -0.000 -2.945 0.000) 2.945 15.006 ( -0.000 -3.247 0.000) 3.247 15.690 ( -0.000 -2.719 0.000) 2.719 15.876 ( -0.000 -0.991 0.000) 0.991 22.703 ( 0.000 0.782 0.000) 0.782 22.762 ( -0.000 -0.089 0.000) 0.089 30.650 ( 0.000 11.748 0.000) 11.748 31.167 ( 0.000 10.999 0.000) 10.999 31.487 ( 0.000 8.384 0.000) 8.384 31.810 ( 0.000 15.709 0.000) 15.709 32.041 ( -0.000 -17.160 0.000) 17.160 34.538 ( -0.000 -9.059 0.000) 9.059 ======================= Grid point 36 (25/144) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 10.394 -0.000 0.000) 10.394 1.672 ( 16.132 -0.000 0.000) 16.132 2.105 ( -14.891 0.000 0.000) 14.891 2.407 ( -9.505 0.000 0.000) 9.505 2.506 ( -3.350 0.000 0.000) 3.350 2.509 ( 2.539 -0.000 0.000) 2.539 2.854 ( -6.168 0.000 0.000) 6.168 2.890 ( -7.218 0.000 0.000) 7.218 3.050 ( -5.880 0.000 0.000) 5.880 3.104 ( 14.426 -0.000 0.000) 14.426 3.124 ( 1.548 -0.000 0.000) 1.548 3.239 ( 14.269 -0.000 0.000) 14.269 4.123 ( 2.082 -0.000 0.000) 2.082 4.676 ( 0.923 -0.000 0.000) 0.923 4.695 ( 0.214 -0.000 0.000) 0.214 5.081 ( -19.523 0.000 0.000) 19.523 5.844 ( 1.235 -0.000 0.000) 1.235 6.156 ( -0.286 0.000 0.000) 0.286 9.666 ( 0.926 -0.000 0.000) 0.926 9.959 ( 4.396 -0.000 0.000) 4.396 10.575 ( 2.063 -0.000 0.000) 2.063 10.850 ( 3.167 -0.000 0.000) 3.167 14.645 ( 0.270 -0.000 0.000) 0.270 14.775 ( -4.574 0.000 0.000) 4.574 14.820 ( -3.474 0.000 0.000) 3.474 15.140 ( 0.300 -0.000 0.000) 0.300 15.605 ( -2.383 0.000 0.000) 2.383 15.819 ( -0.490 0.000 0.000) 0.490 22.694 ( 0.374 -0.000 0.000) 0.374 22.780 ( 0.195 -0.000 0.000) 0.195 30.536 ( 5.144 -0.000 0.000) 5.144 31.662 ( 12.823 -0.000 0.000) 12.823 31.967 ( 17.219 -0.000 0.000) 17.219 32.053 ( -10.278 0.000 0.000) 10.278 32.192 ( 9.847 -0.000 0.000) 9.847 33.991 ( -8.965 0.000 0.000) 8.965 ======================= Grid point 37 (26/144) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 9.093 -5.224 0.000) 10.487 1.916 ( -12.441 -0.056 0.000) 12.441 1.924 ( 10.896 -8.223 0.000) 13.651 2.207 ( -8.871 6.953 0.000) 11.271 2.474 ( -5.551 -1.755 0.000) 5.822 2.484 ( -6.590 -0.785 0.000) 6.637 2.707 ( -15.865 -1.161 0.000) 15.907 2.779 ( -6.703 2.689 0.000) 7.222 3.034 ( -4.622 -6.986 0.000) 8.377 3.049 ( 1.260 6.591 0.000) 6.711 3.312 ( 5.686 -7.264 0.000) 9.225 3.441 ( 14.347 3.266 0.000) 14.714 4.212 ( 7.938 -2.182 0.000) 8.232 4.531 ( 0.629 11.484 0.000) 11.502 4.713 ( 0.347 -0.621 0.000) 0.711 5.036 ( -13.255 -15.743 0.000) 20.580 5.862 ( 1.059 -0.258 0.000) 1.090 6.153 ( -0.165 -0.035 0.000) 0.168 9.678 ( 0.726 -0.003 0.000) 0.726 10.009 ( 3.754 0.604 0.000) 3.803 10.595 ( 1.879 0.907 0.000) 2.086 10.886 ( 2.890 0.668 0.000) 2.966 14.658 ( 0.252 -1.248 0.000) 1.273 14.723 ( -4.064 -0.727 0.000) 4.129 14.779 ( -3.038 -0.413 0.000) 3.066 15.133 ( 0.263 1.347 0.000) 1.372 15.578 ( -2.003 -0.394 0.000) 2.042 15.811 ( -0.548 0.018 0.000) 0.549 22.701 ( 0.307 -0.272 0.000) 0.410 22.781 ( 0.159 0.187 0.000) 0.245 30.635 ( 4.877 -4.350 0.000) 6.535 31.775 ( 11.708 5.738 0.000) 13.038 31.889 ( -9.140 4.465 0.000) 10.172 32.185 ( 11.713 6.000 0.000) 13.160 32.259 ( 14.839 4.364 0.000) 15.467 33.938 ( -10.988 -9.639 0.000) 14.617 ======================= Grid point 38 (27/144) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 6.576 -6.979 0.000) 9.589 1.813 ( -3.876 -1.907 0.000) 4.319 2.019 ( -8.324 2.081 0.000) 8.580 2.106 ( -7.403 -8.062 0.000) 10.945 2.397 ( -11.139 -0.025 0.000) 11.139 2.408 ( -6.162 -0.392 0.000) 6.174 2.509 ( -11.019 -5.735 0.000) 12.422 2.635 ( -7.035 4.379 0.000) 8.286 3.000 ( 4.458 5.176 0.000) 6.832 3.109 ( -3.011 -9.301 0.000) 9.776 3.459 ( 6.275 4.044 0.000) 7.465 3.532 ( 6.190 -4.071 0.000) 7.409 4.351 ( 7.485 -1.328 0.000) 7.602 4.454 ( 5.605 5.677 0.000) 7.978 4.726 ( -0.016 -1.231 0.000) 1.231 5.081 ( -12.862 -13.464 0.000) 18.620 5.878 ( 0.723 -0.250 0.000) 0.765 6.154 ( 0.022 -0.193 0.000) 0.195 9.684 ( 0.377 0.235 0.000) 0.444 10.038 ( 2.760 1.512 0.000) 3.147 10.599 ( 1.478 1.589 0.000) 2.170 10.904 ( 2.236 1.582 0.000) 2.739 14.687 ( 0.197 -2.315 0.000) 2.323 14.690 ( -3.107 -1.373 0.000) 3.397 14.756 ( -2.100 -1.257 0.000) 2.448 15.107 ( 0.172 2.573 0.000) 2.579 15.565 ( -1.507 -1.003 0.000) 1.811 15.806 ( -0.392 -0.226 0.000) 0.453 22.709 ( 0.184 -0.352 0.000) 0.397 22.779 ( 0.132 0.324 0.000) 0.350 30.793 ( 4.329 -8.666 0.000) 9.687 31.685 ( -7.208 8.086 0.000) 10.832 31.809 ( 9.564 9.196 0.000) 13.268 32.136 ( 8.919 13.055 0.000) 15.811 32.442 ( 16.150 4.063 0.000) 16.653 33.949 ( -13.131 -12.947 0.000) 18.440 ======================= Grid point 39 (28/144) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 5.797 -7.653 0.000) 9.601 1.872 ( 6.767 -1.730 0.000) 6.985 1.943 ( -8.871 -8.020 0.000) 11.959 2.004 ( -17.346 -5.758 0.000) 18.277 2.124 ( -19.341 3.109 0.000) 19.589 2.332 ( -4.451 0.892 0.000) 4.540 2.472 ( -8.421 3.176 0.000) 9.000 2.657 ( 6.086 -8.762 0.000) 10.669 2.997 ( 3.972 3.374 0.000) 5.212 3.213 ( -1.816 -8.882 0.000) 9.066 3.390 ( 1.669 9.791 0.000) 9.932 3.691 ( 4.767 -2.749 0.000) 5.503 4.432 ( 7.784 2.790 0.000) 8.269 4.482 ( 5.560 1.143 0.000) 5.676 4.752 ( -0.691 -2.274 0.000) 2.377 5.101 ( -13.562 -14.144 0.000) 19.595 5.887 ( 0.360 -0.048 0.000) 0.363 6.159 ( 0.190 -0.352 0.000) 0.400 9.680 ( 0.029 0.593 0.000) 0.594 10.037 ( 1.646 2.507 0.000) 2.999 10.587 ( 0.908 2.068 0.000) 2.258 10.899 ( 1.400 2.433 0.000) 2.807 14.682 ( -1.845 -2.128 0.000) 2.816 14.730 ( 0.122 -3.066 0.000) 3.068 14.761 ( -1.028 -2.256 0.000) 2.479 15.064 ( 0.080 3.444 0.000) 3.445 15.568 ( -0.972 -1.577 0.000) 1.853 15.809 ( -0.141 -0.661 0.000) 0.676 22.715 ( 0.068 -0.273 0.000) 0.282 22.775 ( 0.100 0.405 0.000) 0.418 31.001 ( 3.354 -12.326 0.000) 12.774 31.466 ( -4.772 10.534 0.000) 11.565 31.760 ( 7.358 12.127 0.000) 14.184 32.062 ( 5.706 10.990 0.000) 12.383 32.542 ( 14.836 10.594 0.000) 18.230 33.970 ( -13.305 -14.243 0.000) 19.491 ======================= Grid point 40 (29/144) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 6.495 -7.385 0.000) 9.834 1.847 ( -11.375 6.057 0.000) 12.887 1.892 ( -11.452 -6.155 0.000) 13.001 1.954 ( -4.213 -9.136 0.000) 10.060 2.039 ( 6.347 -1.862 0.000) 6.615 2.267 ( -0.222 2.649 0.000) 2.658 2.358 ( -10.204 -6.742 0.000) 12.230 2.835 ( 5.925 -3.647 0.000) 6.957 2.993 ( 1.994 3.031 0.000) 3.628 3.227 ( -2.204 11.772 0.000) 11.977 3.317 ( -0.812 -7.500 0.000) 7.544 3.667 ( -0.654 9.226 0.000) 9.249 4.527 ( 8.985 1.110 0.000) 9.053 4.545 ( 5.277 -0.055 0.000) 5.277 4.751 ( -2.423 0.063 0.000) 2.424 5.186 ( -10.667 -21.389 0.000) 23.901 5.889 ( 0.106 0.259 0.000) 0.280 6.168 ( 0.195 -0.378 0.000) 0.425 9.668 ( -0.140 0.905 0.000) 0.916 10.009 ( 0.647 3.377 0.000) 3.438 10.564 ( 0.372 2.240 0.000) 2.270 10.872 ( 0.597 2.968 0.000) 3.027 14.703 ( -0.700 -2.821 0.000) 2.906 14.778 ( 0.048 -3.234 0.000) 3.235 14.792 ( -0.296 -2.971 0.000) 2.986 15.011 ( 0.024 3.642 0.000) 3.642 15.585 ( -0.429 -2.026 0.000) 2.071 15.821 ( 0.026 -1.079 0.000) 1.080 22.719 ( 0.012 -0.109 0.000) 0.110 22.770 ( 0.048 0.430 0.000) 0.433 31.194 ( -0.332 0.539 0.000) 0.633 31.298 ( -0.013 -3.662 0.000) 3.662 31.665 ( 5.645 12.456 0.000) 13.676 31.940 ( 0.191 10.989 0.000) 10.991 32.511 ( 9.501 16.077 0.000) 18.675 34.037 ( -8.369 -15.096 0.000) 17.261 ======================= Grid point 41 (30/144) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 10.243 0.000) 10.243 1.763 ( 0.000 5.948 0.000) 5.948 1.897 ( -0.000 -4.908 0.000) 4.908 2.083 ( -0.000 -1.670 0.000) 1.670 2.087 ( -0.000 -12.713 0.000) 12.713 2.309 ( -0.000 -6.920 0.000) 6.920 2.425 ( -0.000 -10.780 0.000) 10.780 2.881 ( 0.000 6.603 0.000) 6.603 2.926 ( 0.000 11.226 0.000) 11.226 3.037 ( 0.000 5.579 0.000) 5.579 3.410 ( -0.000 -5.708 0.000) 5.708 3.478 ( 0.000 12.423 0.000) 12.423 4.571 ( 0.000 1.853 0.000) 1.853 4.609 ( -0.000 -1.458 0.000) 1.458 4.695 ( 0.000 2.905 0.000) 2.905 5.475 ( -0.000 -26.137 0.000) 26.137 5.882 ( 0.000 0.653 0.000) 0.653 6.174 ( -0.000 -0.291 0.000) 0.291 9.652 ( 0.000 1.029 0.000) 1.029 9.958 ( 0.000 3.910 0.000) 3.910 10.534 ( 0.000 2.032 0.000) 2.032 10.830 ( 0.000 3.069 0.000) 3.069 14.743 ( -0.000 -3.118 0.000) 3.118 14.819 ( -0.000 -1.723 0.000) 1.723 14.836 ( -0.000 -3.235 0.000) 3.235 14.966 ( 0.000 2.093 0.000) 2.093 15.615 ( -0.000 -2.338 0.000) 2.338 15.839 ( -0.000 -1.311 0.000) 1.311 22.718 ( 0.000 0.178 0.000) 0.178 22.764 ( 0.000 0.313 0.000) 0.313 31.026 ( 0.000 12.991 0.000) 12.991 31.519 ( -0.000 -17.213 0.000) 17.213 31.525 ( 0.000 12.589 0.000) 12.589 31.770 ( 0.000 10.748 0.000) 10.748 32.319 ( 0.000 18.048 0.000) 18.048 34.198 ( -0.000 -13.971 0.000) 13.971 ======================= Grid point 48 (31/144) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 9.406 -0.000 0.000) 9.406 1.739 ( -11.783 0.000 0.000) 11.783 1.956 ( 0.436 -0.000 0.000) 0.436 2.140 ( -10.192 0.000 0.000) 10.192 2.353 ( -8.404 0.000 0.000) 8.404 2.369 ( -6.564 0.000 0.000) 6.564 2.451 ( -20.736 0.000 0.000) 20.736 2.748 ( -3.164 0.000 0.000) 3.164 2.911 ( -4.299 0.000 0.000) 4.299 3.106 ( 0.381 -0.000 0.000) 0.381 3.337 ( 6.824 -0.000 0.000) 6.824 3.630 ( 8.073 -0.000 0.000) 8.073 4.313 ( 9.082 -0.000 0.000) 9.082 4.638 ( -3.240 0.000 0.000) 3.240 4.687 ( -0.231 0.000 0.000) 0.231 4.802 ( -1.449 0.000 0.000) 1.449 5.873 ( 0.918 -0.000 0.000) 0.918 6.150 ( -0.164 0.000 0.000) 0.164 9.687 ( 0.626 -0.000 0.000) 0.626 10.061 ( 3.111 -0.000 0.000) 3.111 10.625 ( 1.559 -0.000 0.000) 1.559 10.929 ( 2.585 -0.000 0.000) 2.585 14.652 ( 0.228 -0.000 0.000) 0.228 14.666 ( -3.392 0.000 0.000) 3.392 14.738 ( -2.513 0.000 0.000) 2.513 15.147 ( 0.236 -0.000 0.000) 0.236 15.550 ( -1.746 0.000 0.000) 1.746 15.803 ( -0.586 0.000 0.000) 0.586 22.703 ( 0.270 -0.000 0.000) 0.270 22.784 ( 0.121 -0.000 0.000) 0.121 30.662 ( 4.012 -0.000 0.000) 4.012 31.809 ( -7.585 0.000 0.000) 7.585 31.944 ( 8.020 -0.000 0.000) 8.020 32.438 ( 8.070 -0.000 0.000) 8.070 32.450 ( 18.571 -0.000 0.000) 18.571 33.712 ( -11.934 0.000 0.000) 11.934 ======================= Grid point 49 (32/144) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 7.691 -2.388 0.000) 8.053 1.651 ( -7.182 -6.139 0.000) 9.448 1.863 ( -15.891 -2.904 0.000) 16.154 1.983 ( -7.130 3.096 0.000) 7.773 2.167 ( -20.244 0.374 0.000) 20.248 2.287 ( -7.346 -0.738 0.000) 7.383 2.372 ( 2.841 -6.882 0.000) 7.446 2.659 ( -2.531 5.977 0.000) 6.491 2.940 ( -2.354 -8.341 0.000) 8.667 3.099 ( 1.959 2.512 0.000) 3.185 3.471 ( 5.415 -6.529 0.000) 8.482 3.652 ( 2.367 5.134 0.000) 5.654 4.432 ( 7.280 -0.897 0.000) 7.335 4.578 ( 2.194 3.772 0.000) 4.364 4.712 ( -1.339 -2.265 0.000) 2.631 4.828 ( -2.652 -3.985 0.000) 4.787 5.884 ( 0.610 -0.077 0.000) 0.615 6.150 ( -0.078 -0.206 0.000) 0.220 9.693 ( 0.380 0.222 0.000) 0.440 10.089 ( 2.116 0.921 0.000) 2.308 10.635 ( 1.105 0.955 0.000) 1.461 10.952 ( 1.845 0.989 0.000) 2.093 14.635 ( -2.357 -0.940 0.000) 2.537 14.664 ( 0.164 -1.218 0.000) 1.229 14.715 ( -1.649 -0.790 0.000) 1.829 15.139 ( 0.153 1.407 0.000) 1.415 15.534 ( -1.242 -0.621 0.000) 1.389 15.797 ( -0.426 -0.155 0.000) 0.454 22.707 ( 0.173 -0.190 0.000) 0.257 22.784 ( 0.088 0.176 0.000) 0.197 30.742 ( 2.953 -4.640 0.000) 5.500 31.692 ( -5.309 4.122 0.000) 6.721 32.004 ( 5.409 3.931 0.000) 6.686 32.421 ( 6.387 11.807 0.000) 13.424 32.716 ( 18.107 -0.088 0.000) 18.107 33.606 ( -13.936 -8.101 0.000) 16.120 ======================= Grid point 50 (33/144) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 6.925 -5.298 0.000) 8.719 1.689 ( -7.544 -9.031 0.000) 11.767 1.716 ( -12.302 -4.861 0.000) 13.227 1.934 ( -9.834 0.187 0.000) 9.835 1.934 ( 0.649 -1.731 0.000) 1.849 2.194 ( -8.178 -1.022 0.000) 8.241 2.525 ( -1.652 8.154 0.000) 8.319 2.558 ( 2.960 -11.303 0.000) 11.684 3.056 ( -0.996 -9.699 0.000) 9.750 3.083 ( 1.580 3.020 0.000) 3.409 3.556 ( 1.411 8.328 0.000) 8.447 3.668 ( 3.214 -8.149 0.000) 8.760 4.528 ( 4.467 -0.641 0.000) 4.513 4.566 ( 4.069 2.199 0.000) 4.625 4.722 ( -3.037 -3.299 0.000) 4.484 4.824 ( -4.622 -2.152 0.000) 5.098 5.891 ( 0.256 -0.018 0.000) 0.257 6.154 ( 0.028 -0.438 0.000) 0.439 9.690 ( 0.117 0.551 0.000) 0.563 10.089 ( 1.000 1.937 0.000) 2.180 10.626 ( 0.540 1.757 0.000) 1.838 10.948 ( 0.894 1.989 0.000) 2.181 14.632 ( -1.127 -1.832 0.000) 2.151 14.691 ( 0.079 -2.277 0.000) 2.279 14.719 ( -0.676 -1.810 0.000) 1.932 15.110 ( 0.061 2.643 0.000) 2.643 15.536 ( -0.619 -1.254 0.000) 1.398 15.798 ( -0.170 -0.481 0.000) 0.510 22.712 ( 0.061 -0.253 0.000) 0.260 22.781 ( 0.053 0.311 0.000) 0.315 30.875 ( 1.638 -9.051 0.000) 9.198 31.551 ( -2.649 7.620 0.000) 8.067 31.973 ( 2.930 7.487 0.000) 8.039 32.296 ( 3.042 13.201 0.000) 13.547 32.894 ( 15.020 8.164 0.000) 17.095 33.581 ( -12.803 -14.244 0.000) 19.153 ======================= Grid point 51 (34/144) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -0.000 -6.776 0.000) 6.776 1.713 ( -0.000 -6.152 0.000) 6.152 1.737 ( -0.000 -10.374 0.000) 10.374 1.830 ( 0.000 2.162 0.000) 2.162 2.107 ( -0.000 -10.115 0.000) 10.115 2.109 ( -0.000 -0.353 0.000) 0.353 2.381 ( 0.000 9.425 0.000) 9.425 2.749 ( -0.000 -10.986 0.000) 10.986 3.049 ( 0.000 3.134 0.000) 3.134 3.189 ( -0.000 -9.039 0.000) 9.039 3.409 ( 0.000 12.239 0.000) 12.239 3.759 ( 0.000 0.971 0.000) 0.971 4.552 ( -0.000 -1.353 0.000) 1.353 4.621 ( 0.000 1.411 0.000) 1.411 4.773 ( 0.000 2.281 0.000) 2.281 4.810 ( -0.000 -15.373 0.000) 15.373 5.892 ( 0.000 0.090 0.000) 0.090 6.162 ( -0.000 -0.502 0.000) 0.502 9.680 ( 0.000 0.824 0.000) 0.824 10.060 ( 0.000 2.827 0.000) 2.827 10.600 ( 0.000 2.224 0.000) 2.224 10.919 ( 0.000 2.705 0.000) 2.705 14.657 ( -0.000 -2.535 0.000) 2.535 14.731 ( -0.000 -3.038 0.000) 3.038 14.748 ( -0.000 -2.596 0.000) 2.596 15.065 ( 0.000 3.480 0.000) 3.480 15.554 ( -0.000 -1.749 0.000) 1.749 15.807 ( -0.000 -0.834 0.000) 0.834 22.716 ( -0.000 -0.228 0.000) 0.228 22.776 ( 0.000 0.410 0.000) 0.410 31.047 ( -0.000 -12.463 0.000) 12.463 31.401 ( 0.000 10.071 0.000) 10.071 31.866 ( 0.000 9.885 0.000) 9.885 32.120 ( 0.000 12.944 0.000) 12.944 32.820 ( 0.000 14.951 0.000) 14.951 33.731 ( -0.000 -17.188 0.000) 17.188 ======================= Grid point 60 (35/144) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 6.299 -0.000 0.000) 6.299 1.516 ( -4.448 0.000 0.000) 4.448 1.640 ( -12.571 0.000 0.000) 12.571 1.896 ( -6.866 0.000 0.000) 6.866 1.937 ( -13.226 0.000 0.000) 13.226 2.218 ( -3.522 0.000 0.000) 3.522 2.359 ( 2.684 -0.000 0.000) 2.684 2.703 ( -0.648 0.000 0.000) 0.648 2.832 ( -1.543 0.000 0.000) 1.543 3.134 ( 0.862 -0.000 0.000) 0.862 3.473 ( 2.940 -0.000 0.000) 2.940 3.700 ( -0.228 0.000 0.000) 0.228 4.508 ( 4.665 -0.000 0.000) 4.665 4.621 ( 0.516 -0.000 0.000) 0.516 4.665 ( -1.227 0.000 0.000) 1.227 4.819 ( 1.141 -0.000 0.000) 1.141 5.890 ( 0.337 -0.000 0.000) 0.337 6.147 ( -0.068 0.000 0.000) 0.068 9.699 ( 0.216 -0.000 0.000) 0.216 10.118 ( 1.118 -0.000 0.000) 1.118 10.654 ( 0.587 -0.000 0.000) 0.587 10.979 ( 1.015 -0.000 0.000) 1.015 14.603 ( -1.231 0.000 0.000) 1.231 14.656 ( 0.090 -0.000 0.000) 0.090 14.692 ( -0.906 0.000 0.000) 0.906 15.151 ( 0.085 -0.000 0.000) 0.085 15.516 ( -0.683 0.000 0.000) 0.683 15.791 ( -0.262 0.000 0.000) 0.262 22.708 ( 0.101 -0.000 0.000) 0.101 22.786 ( 0.042 -0.000 0.000) 0.042 30.737 ( 1.515 -0.000 0.000) 1.515 31.667 ( -2.789 0.000 0.000) 2.789 32.084 ( 2.559 -0.000 0.000) 2.559 32.594 ( 3.194 -0.000 0.000) 3.194 32.930 ( 17.015 -0.000 0.000) 17.015 33.359 ( -14.469 0.000 0.000) 14.469 ======================= Grid point 61 (36/144) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -0.000 -3.351 0.000) 3.351 1.516 ( -0.000 -4.020 0.000) 4.020 1.571 ( -0.000 -2.784 0.000) 2.784 1.847 ( -0.000 -0.216 0.000) 0.216 1.878 ( -0.000 -4.468 0.000) 4.468 2.170 ( 0.000 2.948 0.000) 2.948 2.435 ( -0.000 -7.367 0.000) 7.367 2.627 ( 0.000 6.940 0.000) 6.940 2.909 ( -0.000 -8.855 0.000) 8.855 3.128 ( 0.000 1.640 0.000) 1.640 3.554 ( -0.000 -7.836 0.000) 7.836 3.664 ( 0.000 4.551 0.000) 4.551 4.553 ( -0.000 -1.145 0.000) 1.145 4.617 ( 0.000 0.450 0.000) 0.450 4.650 ( 0.000 0.518 0.000) 0.518 4.821 ( 0.000 0.880 0.000) 0.880 5.893 ( -0.000 -0.001 0.000) 0.001 6.149 ( -0.000 -0.294 0.000) 0.294 9.698 ( 0.000 0.311 0.000) 0.311 10.118 ( 0.000 1.027 0.000) 1.027 10.650 ( 0.000 0.992 0.000) 0.992 10.977 ( 0.000 1.101 0.000) 1.101 14.603 ( -0.000 -1.019 0.000) 1.019 14.666 ( -0.000 -1.208 0.000) 1.208 14.693 ( -0.000 -1.003 0.000) 1.003 15.141 ( 0.000 1.429 0.000) 1.429 15.517 ( -0.000 -0.682 0.000) 0.682 15.791 ( -0.000 -0.240 0.000) 0.240 22.710 ( -0.000 -0.151 0.000) 0.151 22.785 ( 0.000 0.165 0.000) 0.165 30.783 ( -0.000 -4.753 0.000) 4.753 31.619 ( 0.000 3.995 0.000) 3.995 32.073 ( 0.000 3.723 0.000) 3.723 32.509 ( 0.000 11.870 0.000) 11.870 33.141 ( 0.000 5.923 0.000) 5.923 33.242 ( -0.000 -13.871 0.000) 13.871 ======================= Grid point 123 (37/144) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 0.000 0.000 12.242) 12.242 0.496 ( 0.000 0.000 23.561) 23.561 1.016 ( 0.000 0.000 45.592) 45.592 1.207 ( 0.000 0.000 -2.942) 2.942 2.486 ( 0.000 0.000 1.939) 1.939 2.526 ( 0.000 0.000 -3.755) 3.755 2.746 ( 0.000 0.000 14.932) 14.932 2.833 ( 0.000 0.000 -0.270) 0.270 2.953 ( 0.000 0.000 0.781) 0.781 3.082 ( 0.000 0.000 -1.682) 1.682 3.270 ( 0.000 0.000 2.789) 2.789 3.477 ( 0.000 0.000 0.571) 0.571 4.493 ( 0.000 0.000 -0.008) 0.008 4.495 ( 0.000 0.000 -0.026) 0.026 4.602 ( 0.000 0.000 1.945) 1.945 4.614 ( 0.000 0.000 -0.415) 0.415 6.119 ( 0.000 0.000 -6.365) 6.365 7.094 ( 0.000 0.000 -11.147) 11.147 9.614 ( 0.000 0.000 0.429) 0.429 9.690 ( 0.000 0.000 -0.353) 0.353 10.469 ( 0.000 0.000 1.394) 1.394 10.675 ( 0.000 0.000 -0.859) 0.859 14.711 ( 0.000 0.000 1.941) 1.941 14.933 ( 0.000 0.000 0.358) 0.358 15.022 ( 0.000 0.000 -0.564) 0.564 15.104 ( 0.000 0.000 -2.096) 2.096 15.776 ( 0.000 0.000 0.623) 0.623 15.829 ( 0.000 0.000 0.122) 0.122 22.674 ( 0.000 0.000 0.352) 0.352 22.760 ( 0.000 0.000 -0.519) 0.519 30.841 ( 0.000 0.000 2.183) 2.183 31.228 ( 0.000 0.000 1.637) 1.637 31.270 ( 0.000 0.000 -2.249) 2.249 31.663 ( 0.000 0.000 -3.488) 3.488 32.700 ( 0.000 0.000 5.545) 5.545 33.511 ( 0.000 0.000 -3.496) 3.496 ======================= Grid point 124 (38/144) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 20.315 -9.464 10.116) 24.589 0.825 ( 18.945 -17.378 13.728) 29.144 1.149 ( 5.810 -16.151 36.345) 40.194 1.401 ( 16.320 -8.804 -2.955) 18.777 2.510 ( 3.843 0.266 1.562) 4.157 2.577 ( 1.098 -7.733 -4.903) 9.222 2.731 ( -1.987 2.114 13.239) 13.553 2.805 ( -0.608 2.528 2.144) 3.370 2.903 ( -5.133 2.547 1.095) 5.834 3.121 ( 4.767 2.706 -3.027) 6.262 3.196 ( 0.419 7.275 3.750) 8.195 3.462 ( -2.434 -2.134 2.708) 4.221 4.463 ( -3.390 1.519 0.530) 3.753 4.507 ( -0.122 2.868 -0.352) 2.892 4.627 ( 1.954 -1.905 -0.849) 2.858 5.052 ( 12.141 -23.905 -25.847) 37.242 6.110 ( -0.360 0.697 -6.360) 6.408 6.921 ( -14.649 3.353 1.525) 15.105 9.623 ( 1.116 0.222 0.735) 1.355 9.712 ( 1.510 -1.446 -0.368) 2.122 10.465 ( 0.643 0.716 1.279) 1.600 10.684 ( 0.818 -0.410 -0.946) 1.316 14.688 ( -1.409 -0.475 3.191) 3.521 14.937 ( 1.016 1.591 -0.558) 1.968 15.010 ( -0.777 0.661 -0.940) 1.387 15.113 ( -0.170 -0.416 -1.410) 1.480 15.777 ( -2.869 0.051 0.144) 2.873 15.818 ( -0.756 -1.581 -1.531) 2.327 22.677 ( 0.128 -0.270 0.316) 0.435 22.760 ( 0.085 0.029 -0.510) 0.518 30.790 ( -19.716 11.091 21.138) 30.960 30.898 ( 3.621 -2.437 2.188) 4.883 31.325 ( 3.504 2.620 6.997) 8.252 31.457 ( 12.256 10.743 -1.582) 16.374 32.640 ( -2.903 4.946 6.252) 8.484 34.091 ( 6.136 -28.219 -29.610) 41.361 ======================= Grid point 125 (39/144) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 12.163 -14.029 10.952) 21.557 1.218 ( 13.135 -11.469 21.585) 27.749 1.678 ( 20.156 -24.385 10.034) 33.190 1.782 ( 17.391 -9.268 -2.452) 19.859 2.559 ( 3.090 3.318 -0.234) 4.540 2.599 ( -4.851 6.623 7.100) 10.854 2.705 ( -1.985 2.179 1.341) 3.238 2.783 ( -1.271 0.644 9.542) 9.648 2.826 ( 4.989 -7.121 -3.964) 9.556 3.097 ( 1.858 5.840 1.046) 6.217 3.152 ( 3.066 0.494 2.053) 3.723 3.463 ( -3.016 -2.808 1.139) 4.275 4.364 ( -6.845 2.430 0.696) 7.297 4.425 ( -4.779 3.536 -0.141) 5.946 4.708 ( 2.950 -3.846 0.029) 4.847 5.398 ( 5.286 -10.004 -24.406) 26.901 6.092 ( -0.631 0.912 -6.451) 6.545 6.691 ( -12.972 2.902 6.156) 14.649 9.637 ( 1.275 -0.072 1.160) 1.725 9.763 ( 2.184 -1.979 -0.309) 2.963 10.469 ( 0.922 0.249 1.106) 1.461 10.706 ( 1.362 -0.532 -1.110) 1.836 14.698 ( -0.572 -2.222 2.280) 3.235 14.909 ( -0.758 2.136 -0.151) 2.272 14.982 ( -0.956 1.534 -1.942) 2.653 15.105 ( -0.229 1.018 0.095) 1.048 15.725 ( -2.725 1.111 0.348) 2.963 15.831 ( -1.173 -1.404 -2.450) 3.058 22.685 ( 0.227 -0.467 0.156) 0.542 22.761 ( 0.095 0.129 -0.504) 0.529 30.592 ( -3.017 -1.044 13.763) 14.128 30.996 ( 4.206 -2.049 2.071) 5.117 31.331 ( 4.793 3.637 -0.601) 6.047 31.545 ( 6.835 -2.849 -0.087) 7.406 32.491 ( -4.537 7.635 9.475) 12.987 34.387 ( -0.081 -11.371 -20.643) 23.568 ======================= Grid point 126 (40/144) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 5.455 -13.621 15.355) 21.238 1.593 ( 15.242 -13.068 11.639) 23.207 2.076 ( 9.158 -3.314 -3.749) 10.436 2.176 ( 4.180 -5.307 -2.131) 7.084 2.394 ( 3.288 -0.267 7.592) 8.278 2.541 ( -0.865 1.588 3.435) 3.882 2.684 ( 2.287 2.360 10.323) 10.833 2.777 ( 5.044 -1.088 10.763) 11.936 2.956 ( 2.699 2.805 -2.412) 4.580 3.048 ( 2.008 3.826 -0.546) 4.355 3.329 ( 8.906 -12.862 -1.532) 15.719 3.471 ( -1.180 -2.986 0.260) 3.221 4.220 ( -8.826 2.528 0.686) 9.207 4.286 ( -7.036 4.176 0.098) 8.183 4.800 ( 2.032 -3.816 0.232) 4.330 5.554 ( 2.827 -5.176 -19.219) 20.103 6.065 ( -1.073 1.326 -6.309) 6.536 6.485 ( -10.392 3.880 6.356) 12.784 9.658 ( 1.267 -0.381 1.317) 1.867 9.822 ( 2.117 -1.855 -0.359) 2.838 10.482 ( 1.048 -0.203 1.134) 1.557 10.734 ( 1.455 -0.529 -1.274) 2.005 14.729 ( -0.370 -2.678 1.082) 2.912 14.861 ( -1.585 2.006 0.127) 2.560 14.942 ( -0.988 1.875 -2.176) 3.037 15.078 ( -0.413 2.141 1.090) 2.438 15.680 ( -1.840 0.749 0.270) 2.005 15.829 ( -1.256 -0.528 -2.204) 2.591 22.696 ( 0.270 -0.547 -0.063) 0.613 22.759 ( 0.054 0.246 -0.544) 0.600 30.656 ( 2.134 -7.080 6.430) 9.799 31.059 ( 2.751 -0.528 2.259) 3.599 31.333 ( 1.445 2.115 -3.270) 4.154 31.662 ( 4.039 -0.318 -5.696) 6.990 32.338 ( -2.144 5.037 17.361) 18.203 34.499 ( -0.217 -5.214 -14.691) 15.591 ======================= Grid point 127 (41/144) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 1.961 -11.215 12.628) 17.002 1.896 ( -5.101 10.741 0.210) 11.893 1.982 ( 9.535 -11.297 6.413) 16.114 2.289 ( 4.829 -1.757 -1.478) 5.347 2.410 ( -0.226 1.162 3.400) 3.600 2.628 ( -1.349 3.668 15.733) 16.211 2.675 ( 6.496 -1.986 3.759) 7.763 2.897 ( 0.976 3.565 -1.336) 3.930 2.996 ( 8.667 3.680 2.632) 9.777 3.064 ( 6.011 -11.429 5.902) 14.198 3.460 ( -1.708 -2.836 -0.985) 3.454 3.677 ( 9.140 -9.663 -2.289) 13.497 4.070 ( -8.071 1.902 0.675) 8.319 4.131 ( -6.440 3.943 0.173) 7.553 4.870 ( 0.898 -3.048 -1.095) 3.361 5.650 ( 2.321 -3.746 -15.465) 16.080 6.015 ( -2.368 2.759 -4.774) 6.001 6.312 ( -6.683 3.411 4.948) 8.988 9.679 ( 0.933 -0.393 1.382) 1.713 9.870 ( 1.503 -1.293 -0.478) 2.039 10.500 ( 0.877 -0.367 1.198) 1.530 10.758 ( 1.101 -0.398 -1.370) 1.802 14.758 ( -0.389 -1.597 -0.930) 1.889 14.815 ( -1.569 1.260 -0.154) 2.019 14.912 ( -0.441 0.471 -0.486) 0.808 15.033 ( -0.571 2.873 1.606) 3.341 15.653 ( -1.003 0.350 0.270) 1.096 15.818 ( -0.948 -0.099 -1.896) 2.122 22.707 ( 0.220 -0.457 -0.218) 0.552 22.755 ( 0.018 0.263 -0.654) 0.705 30.833 ( 4.342 -10.489 1.441) 11.443 31.096 ( 2.537 0.031 1.726) 3.068 31.306 ( -1.380 1.357 -2.915) 3.499 31.597 ( -3.370 9.112 -9.117) 13.323 32.326 ( 2.956 -1.476 22.136) 22.381 34.551 ( -0.012 -2.251 -11.793) 12.006 ======================= Grid point 128 (42/144) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -4.227 2.161 2.475) 5.354 1.720 ( 0.734 -1.678 6.749) 6.993 2.244 ( 5.953 -6.058 2.033) 8.733 2.354 ( 1.546 -0.451 5.366) 5.602 2.390 ( 0.538 0.598 4.798) 4.865 2.556 ( -1.814 2.633 18.417) 18.693 2.749 ( 2.707 -0.208 0.834) 2.841 2.858 ( -0.065 1.617 -0.997) 1.900 2.978 ( 0.939 2.432 -1.379) 2.949 3.335 ( 5.288 -5.937 5.705) 9.786 3.483 ( 0.345 -1.876 1.569) 2.470 3.835 ( 0.712 -2.769 -1.028) 3.038 3.975 ( -2.174 0.773 0.040) 2.307 4.023 ( -2.416 1.977 -0.058) 3.122 4.914 ( 0.393 -1.503 -3.612) 3.932 5.733 ( 2.132 -2.925 -13.934) 14.396 5.924 ( -2.900 3.356 -0.511) 4.465 6.223 ( -1.920 1.028 1.973) 2.939 9.692 ( 0.343 -0.161 1.408) 1.458 9.897 ( 0.540 -0.461 -0.566) 0.908 10.513 ( 0.346 -0.176 1.235) 1.295 10.773 ( 0.410 -0.149 -1.404) 1.471 14.767 ( 0.073 -0.297 -1.682) 1.710 14.784 ( -0.996 0.565 -1.871) 2.194 14.922 ( 0.184 -1.558 2.002) 2.544 14.984 ( -0.455 2.507 1.566) 2.990 15.642 ( -0.311 0.094 0.286) 0.433 15.809 ( -0.355 0.006 -1.714) 1.750 22.714 ( 0.084 -0.185 -0.252) 0.324 22.752 ( 0.004 0.119 -0.784) 0.793 31.062 ( 4.106 -10.936 -2.954) 12.049 31.129 ( 2.993 -0.541 0.977) 3.194 31.265 ( -1.808 1.387 -3.325) 4.030 31.371 ( -5.458 10.841 -3.921) 12.755 32.391 ( 1.801 -1.322 20.841) 20.960 34.571 ( 0.014 -0.607 -10.565) 10.582 ======================= Grid point 135 (43/144) ======================= q-point: ( 0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 16.451 -0.000 13.743) 21.436 1.020 ( 8.683 -0.000 34.587) 35.660 1.265 ( 37.537 -0.000 9.962) 38.837 1.624 ( 25.029 -0.000 -1.374) 25.067 2.548 ( 4.130 -0.000 -6.544) 7.739 2.575 ( 5.063 -0.000 0.731) 5.115 2.740 ( 0.453 -0.000 13.818) 13.826 2.788 ( -3.478 0.000 0.303) 3.492 2.841 ( -7.328 0.000 1.771) 7.539 3.191 ( 1.450 -0.000 -3.913) 4.173 3.241 ( -2.448 0.000 3.244) 4.063 3.392 ( -4.208 0.000 3.377) 5.396 4.427 ( -4.543 0.000 1.140) 4.684 4.613 ( 1.266 -0.000 -2.356) 2.675 4.631 ( 1.373 -0.000 1.543) 2.065 5.031 ( 15.586 -0.000 -28.086) 32.121 6.109 ( -0.679 0.000 -6.543) 6.578 6.672 ( -20.453 0.000 10.675) 23.072 9.642 ( 1.097 -0.000 1.516) 1.872 9.731 ( 2.941 -0.000 -0.338) 2.960 10.488 ( 1.347 -0.000 1.393) 1.938 10.698 ( 1.644 -0.000 -0.897) 1.873 14.665 ( -1.026 0.000 2.692) 2.881 14.959 ( -0.628 0.000 -1.715) 1.826 14.986 ( -2.607 0.000 -0.566) 2.667 15.105 ( 0.060 -0.000 -2.123) 2.124 15.744 ( -2.211 0.000 0.326) 2.235 15.790 ( -0.983 0.000 -2.003) 2.231 22.678 ( 0.262 -0.000 0.345) 0.433 22.762 ( 0.178 -0.000 -0.515) 0.545 30.600 ( -12.409 0.000 17.109) 21.135 30.973 ( 9.325 -0.000 1.486) 9.443 31.395 ( 6.181 -0.000 7.786) 9.941 31.722 ( 4.400 -0.000 -3.553) 5.656 32.622 ( -5.583 0.000 6.188) 8.334 33.970 ( 9.040 -0.000 -22.552) 24.296 ======================= Grid point 136 (44/144) ======================= q-point: ( 0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 13.050 -5.665 17.037) 22.196 1.201 ( 9.814 -11.777 26.528) 30.639 1.840 ( 35.570 -6.446 2.790) 36.257 1.973 ( 22.540 -1.860 -0.472) 22.621 2.591 ( -2.927 0.554 0.398) 3.005 2.640 ( -7.080 8.244 3.840) 11.526 2.666 ( 1.357 -3.920 -3.318) 5.312 2.778 ( -0.115 -1.238 7.729) 7.829 2.821 ( 8.512 -5.077 0.283) 9.915 3.174 ( -1.865 3.132 2.712) 4.543 3.181 ( -0.831 1.123 -0.406) 1.455 3.361 ( -4.563 -3.354 2.751) 6.296 4.327 ( -6.498 3.310 1.339) 7.415 4.516 ( 0.572 11.739 -0.165) 11.755 4.673 ( 1.150 -3.680 -0.650) 3.909 5.292 ( 3.679 -12.409 -24.917) 28.078 6.093 ( -0.913 0.691 -6.594) 6.693 6.446 ( -18.293 -4.238 11.180) 21.853 9.655 ( 1.107 0.082 1.929) 2.226 9.783 ( 3.637 -0.749 -0.301) 3.725 10.500 ( 1.822 1.028 1.403) 2.519 10.725 ( 2.177 -0.160 -1.004) 2.403 14.666 ( -0.241 -1.218 1.961) 2.321 14.917 ( -2.363 1.688 -0.446) 2.938 14.963 ( -2.915 -0.912 -1.552) 3.426 15.105 ( -0.241 0.145 -1.595) 1.619 15.703 ( -2.528 0.828 0.103) 2.662 15.795 ( -0.711 -1.385 -3.010) 3.388 22.684 ( 0.342 -0.243 0.269) 0.498 22.764 ( 0.200 0.106 -0.511) 0.559 30.525 ( -1.817 -2.099 11.458) 11.789 31.099 ( 10.393 2.090 1.347) 10.686 31.501 ( 9.334 0.979 3.646) 10.069 31.693 ( 7.950 9.529 -1.448) 12.494 32.500 ( -7.017 4.215 7.925) 11.394 34.160 ( -1.321 -14.525 -18.044) 23.202 ======================= Grid point 137 (45/144) ======================= q-point: ( 0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 6.733 -8.464 22.699) 25.144 1.581 ( 14.049 -14.967 10.353) 22.991 2.213 ( 14.482 -0.603 -0.340) 14.499 2.252 ( 2.679 8.063 -3.375) 9.142 2.462 ( 3.153 2.292 4.304) 5.807 2.528 ( 3.833 -3.346 4.627) 6.878 2.702 ( -0.260 -0.683 8.485) 8.516 2.825 ( 4.984 -1.195 6.391) 8.192 3.004 ( 0.458 0.283 -2.667) 2.721 3.126 ( 0.059 2.775 -1.272) 3.054 3.235 ( 3.699 -10.549 -0.338) 11.184 3.386 ( -0.117 -6.712 2.465) 7.151 4.178 ( -6.225 4.357 0.911) 7.653 4.333 ( -1.981 10.870 0.083) 11.049 4.748 ( 0.144 -4.660 -0.027) 4.663 5.469 ( -0.464 -9.399 -19.730) 21.859 6.063 ( -1.921 1.018 -5.810) 6.203 6.295 ( -14.512 -4.616 8.146) 17.270 9.670 ( 1.081 -0.171 1.883) 2.178 9.842 ( 3.554 -0.622 -0.346) 3.625 10.510 ( 1.995 1.024 1.382) 2.634 10.756 ( 2.294 0.101 -1.169) 2.577 14.691 ( -0.016 -2.152 1.331) 2.530 14.859 ( -2.685 1.477 -0.265) 3.076 14.929 ( -3.183 -0.216 -1.673) 3.603 15.091 ( -0.515 1.098 -0.717) 1.409 15.662 ( -1.987 0.425 0.099) 2.035 15.801 ( -0.904 -0.920 -2.821) 3.102 22.694 ( 0.366 -0.405 0.082) 0.552 22.764 ( 0.157 0.265 -0.534) 0.617 30.592 ( 2.709 -5.639 6.666) 9.142 31.178 ( 9.589 4.822 2.004) 10.918 31.520 ( 8.437 11.646 -4.747) 15.144 31.743 ( 7.402 1.417 -0.946) 7.596 32.350 ( -4.939 3.197 14.233) 15.401 34.322 ( -4.736 -12.948 -14.005) 19.652 ======================= Grid point 138 (46/144) ======================= q-point: ( 0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 3.846 -9.247 17.684) 20.323 1.920 ( -0.611 -1.920 0.552) 2.089 2.028 ( 5.478 2.152 5.177) 7.838 2.352 ( 2.309 0.973 0.650) 2.589 2.422 ( 3.106 0.074 3.588) 4.746 2.647 ( -0.975 1.360 10.844) 10.972 2.763 ( 6.649 1.597 5.130) 8.548 2.908 ( -3.705 0.819 -0.680) 3.855 2.999 ( 1.622 -3.285 2.814) 4.619 3.108 ( 5.688 -2.029 2.665) 6.601 3.351 ( -3.285 -7.034 -1.864) 7.984 3.590 ( 2.430 -10.905 0.266) 11.176 4.073 ( 0.988 4.086 -0.133) 4.206 4.174 ( -0.305 7.265 0.211) 7.275 4.808 ( -1.108 -4.543 -0.540) 4.707 5.574 ( -2.143 -7.666 -15.663) 17.570 6.003 ( -4.578 1.414 -2.657) 5.479 6.200 ( -7.940 -3.073 3.400) 9.168 9.686 ( 0.750 -0.216 1.751) 1.917 9.891 ( 2.915 -0.015 -0.493) 2.956 10.522 ( 1.763 0.856 1.346) 2.377 10.781 ( 1.991 0.544 -1.315) 2.447 14.724 ( -0.060 -2.304 0.217) 2.315 14.806 ( -2.366 0.972 -0.398) 2.589 14.893 ( -2.709 -0.552 -0.727) 2.859 15.060 ( -0.582 2.105 0.022) 2.184 15.638 ( -1.356 -0.171 0.202) 1.382 15.800 ( -0.741 -0.546 -2.324) 2.500 22.704 ( 0.306 -0.415 -0.105) 0.527 22.761 ( 0.108 0.374 -0.614) 0.727 30.750 ( 4.760 -8.794 2.730) 10.366 31.224 ( 9.384 5.875 1.752) 11.209 31.447 ( 7.111 11.391 -4.316) 14.105 31.705 ( -1.115 9.854 -6.846) 12.051 32.329 ( 1.808 -2.378 20.162) 20.382 34.419 ( -5.702 -9.821 -11.483) 16.150 ======================= Grid point 139 (47/144) ======================= q-point: ( 0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -0.383 -5.070 9.388) 10.676 1.762 ( -0.447 4.418 3.240) 5.497 2.236 ( 3.306 -5.754 -0.033) 6.636 2.398 ( 5.693 -2.808 8.244) 10.405 2.423 ( 0.345 5.209 4.039) 6.600 2.596 ( -0.380 4.424 16.800) 17.377 2.771 ( -0.154 1.480 -0.278) 1.513 2.823 ( -6.720 -0.047 -0.868) 6.776 2.934 ( -8.071 -0.115 -0.174) 8.074 3.298 ( 3.165 -6.143 3.608) 7.796 3.417 ( -1.150 -6.054 1.193) 6.277 3.698 ( -3.584 -7.227 0.381) 8.076 4.059 ( 6.185 5.339 -0.119) 8.172 4.137 ( 6.206 4.710 -0.399) 7.801 4.859 ( -1.473 -4.588 -2.758) 5.552 5.646 ( -4.172 -7.650 -12.902) 15.569 5.916 ( -3.706 1.595 0.080) 4.035 6.171 ( -2.953 -2.425 0.062) 3.821 9.694 ( 0.193 -0.004 1.624) 1.636 9.917 ( 1.936 0.846 -0.651) 2.211 10.529 ( 1.181 0.929 1.286) 1.978 10.792 ( 1.355 1.036 -1.416) 2.217 14.753 ( -0.027 -1.624 -1.452) 2.178 14.771 ( -1.695 0.099 -0.857) 1.902 14.884 ( -1.542 -2.270 1.402) 3.082 15.016 ( -0.473 2.725 0.588) 2.827 15.630 ( -0.806 -0.618 0.290) 1.056 15.801 ( -0.285 -0.497 -1.917) 2.001 22.713 ( 0.177 -0.256 -0.200) 0.370 22.757 ( 0.079 0.358 -0.732) 0.818 30.967 ( 5.421 -10.796 -1.340) 12.155 31.249 ( 7.732 6.481 1.362) 10.180 31.385 ( 5.689 9.925 -5.275) 12.597 31.494 ( -1.257 12.745 -2.430) 13.035 32.394 ( 1.645 -1.295 19.169) 19.283 34.467 ( -6.169 -7.576 -10.258) 14.166 ======================= Grid point 140 (48/144) ======================= q-point: (-0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 2.382 -4.419 3.868) 6.337 1.787 ( 4.371 1.094 4.762) 6.556 2.253 ( -6.231 3.662 1.566) 7.395 2.355 ( -4.748 1.065 4.675) 6.748 2.400 ( 1.273 4.732 8.316) 9.652 2.581 ( 3.757 1.587 15.206) 15.743 2.685 ( -9.013 -0.949 1.654) 9.212 2.777 ( -4.719 -3.966 -1.336) 6.308 2.871 ( -4.460 -2.438 0.681) 5.128 3.331 ( -3.601 1.562 3.525) 5.276 3.463 ( -1.802 -2.599 2.054) 3.771 3.739 ( -4.661 -4.056 -0.350) 6.188 4.085 ( 8.605 3.781 0.629) 9.420 4.162 ( 8.904 4.926 -0.722) 10.201 4.889 ( -2.258 -2.344 -3.625) 4.872 5.668 ( -6.588 -4.650 -13.472) 15.701 5.902 ( 1.020 -2.759 0.309) 2.958 6.189 ( -0.694 -3.555 0.628) 3.676 9.690 ( -0.415 0.336 1.500) 1.592 9.916 ( 0.847 1.774 -0.745) 2.102 10.524 ( 0.492 1.196 1.183) 1.753 10.786 ( 0.576 1.458 -1.485) 2.159 14.759 ( -0.665 -0.725 -1.212) 1.561 14.779 ( 0.602 -1.565 -2.050) 2.648 14.908 ( -1.106 -2.505 2.615) 3.786 14.976 ( -0.109 1.588 0.979) 1.868 15.634 ( -0.279 -0.940 0.334) 1.036 15.809 ( 0.265 -0.611 -1.704) 1.830 22.716 ( 0.033 0.055 -0.222) 0.231 22.753 ( 0.063 0.190 -0.783) 0.808 31.152 ( 2.207 -0.536 -2.987) 3.752 31.194 ( -2.919 12.136 -4.704) 13.339 31.280 ( 6.457 -2.347 -0.590) 6.896 31.449 ( 12.140 7.211 0.216) 14.122 32.387 ( -2.010 1.903 19.034) 19.234 34.484 ( -6.385 -6.263 -10.136) 13.518 ======================= Grid point 141 (49/144) ======================= q-point: (-0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.913 8.860 9.982) 13.378 1.827 ( 1.994 -3.831 -1.194) 4.481 2.023 ( -6.583 7.286 7.178) 12.163 2.246 ( -5.907 -0.451 -1.521) 6.117 2.404 ( -1.803 1.744 2.350) 3.437 2.549 ( -4.230 -5.256 11.644) 13.457 2.657 ( 0.556 2.156 8.029) 8.332 2.787 ( -5.167 -5.939 -0.885) 7.922 2.845 ( -4.425 -0.370 5.254) 6.879 3.152 ( -6.024 10.722 5.159) 13.337 3.479 ( -0.224 -1.606 -0.321) 1.653 3.637 ( -10.383 4.507 -1.055) 11.368 4.195 ( 11.400 0.315 0.595) 11.420 4.240 ( 10.384 1.918 -0.625) 10.578 4.865 ( -3.366 0.235 -1.738) 3.795 5.625 ( -5.327 -0.926 -16.385) 17.254 5.985 ( 1.299 -4.665 -3.111) 5.756 6.270 ( 1.017 -7.693 4.410) 8.925 9.674 ( -0.873 0.637 1.355) 1.733 9.889 ( -0.123 2.585 -0.752) 2.695 10.508 ( 0.017 1.387 1.007) 1.714 10.766 ( -0.103 1.680 -1.525) 2.271 14.771 ( 0.402 -0.818 -1.375) 1.649 14.814 ( 1.146 -1.349 -0.620) 1.876 14.904 ( -0.954 0.096 1.214) 1.547 14.990 ( -0.106 -2.931 1.859) 3.472 15.651 ( 0.301 -1.281 0.344) 1.360 15.825 ( 0.692 -0.656 -1.675) 1.928 22.712 ( -0.073 0.420 -0.232) 0.485 22.753 ( 0.053 -0.051 -0.679) 0.683 30.941 ( -4.061 11.801 0.119) 12.481 31.156 ( 4.270 5.868 0.227) 7.261 31.399 ( 5.154 1.168 -5.844) 7.879 31.567 ( 10.588 -1.765 -3.389) 11.256 32.301 ( -4.520 2.447 20.760) 21.387 34.485 ( -6.135 -5.204 -11.112) 13.718 ======================= Grid point 142 (50/144) ======================= q-point: (-0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -9.134 15.907 5.200) 19.066 1.605 ( -8.287 13.098 14.451) 21.191 2.060 ( -8.566 6.971 -4.913) 12.087 2.195 ( 6.319 -7.119 0.489) 9.531 2.405 ( -0.820 2.699 2.719) 3.918 2.544 ( -3.240 6.622 8.378) 11.160 2.569 ( -3.924 -2.573 6.403) 7.938 2.744 ( -1.409 0.098 14.090) 14.161 2.836 ( -4.376 -6.940 2.068) 8.461 3.013 ( -1.024 1.351 -0.720) 1.842 3.367 ( -11.073 10.571 -0.556) 15.319 3.500 ( 0.766 -0.636 -0.476) 1.104 4.340 ( 10.541 0.494 -0.003) 10.553 4.372 ( 10.159 -0.439 0.105) 10.169 4.796 ( -4.780 1.717 -0.148) 5.081 5.557 ( -4.377 1.622 -20.040) 20.576 6.049 ( 0.562 -2.447 -5.889) 6.401 6.443 ( 2.435 -12.007 6.949) 14.085 9.651 ( -1.005 0.750 1.165) 1.712 9.840 ( -0.745 3.101 -0.701) 3.265 10.487 ( -0.087 1.291 0.728) 1.485 10.736 ( -0.493 1.631 -1.500) 2.270 14.775 ( 0.887 2.021 0.538) 2.272 14.844 ( 0.276 -1.837 0.907) 2.067 14.916 ( 0.199 -2.355 -1.253) 2.675 15.034 ( -0.475 -3.353 1.770) 3.821 15.681 ( 0.911 -1.773 0.356) 2.025 15.844 ( 0.862 -0.441 -1.794) 2.039 22.703 ( -0.106 0.638 -0.146) 0.663 22.756 ( 0.028 -0.169 -0.547) 0.573 30.742 ( -2.362 9.014 4.246) 10.240 31.119 ( 3.448 6.461 1.834) 7.550 31.399 ( 2.667 5.101 -4.979) 7.611 31.670 ( 3.871 3.727 -6.295) 8.276 32.264 ( -1.542 -5.127 19.661) 20.377 34.475 ( -4.948 -3.467 -13.464) 14.758 ======================= Grid point 143 (51/144) ======================= q-point: (-0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -12.557 17.570 3.736) 21.916 1.315 ( -3.319 16.453 20.169) 26.239 1.766 ( -10.282 13.050 -4.146) 17.123 1.935 ( -5.791 29.568 10.986) 32.070 2.487 ( 0.923 -2.865 1.728) 3.471 2.552 ( 2.515 -6.296 7.858) 10.378 2.625 ( -0.150 -8.673 3.458) 9.338 2.785 ( 2.206 -3.175 8.669) 9.492 2.856 ( -3.267 -0.871 -2.580) 4.254 3.011 ( 0.249 -0.737 1.708) 1.877 3.111 ( -6.587 4.881 1.862) 8.407 3.514 ( 1.023 0.463 0.154) 1.133 4.451 ( 6.896 0.639 0.107) 6.926 4.495 ( 7.594 0.476 -0.048) 7.609 4.696 ( -5.461 2.061 0.248) 5.842 5.452 ( -3.701 5.725 -24.275) 25.215 6.081 ( 0.247 -1.354 -6.452) 6.597 6.670 ( 3.199 -13.089 6.298) 14.873 9.628 ( -0.716 0.609 0.913) 1.310 9.782 ( -0.795 3.165 -0.646) 3.327 10.470 ( -0.000 0.930 0.394) 1.010 10.707 ( -0.483 1.314 -1.357) 1.949 14.744 ( 0.586 2.932 2.517) 3.908 14.877 ( -0.267 -2.427 0.280) 2.457 14.960 ( 0.482 -2.472 -1.012) 2.714 15.073 ( -0.459 -2.778 1.130) 3.034 15.727 ( 1.223 -2.393 0.398) 2.717 15.857 ( 0.675 0.211 -2.063) 2.181 22.692 ( -0.071 0.654 0.046) 0.660 22.758 ( -0.008 -0.134 -0.487) 0.505 30.629 ( -0.261 3.172 10.317) 10.796 31.044 ( 0.455 7.435 2.415) 7.831 31.346 ( 1.026 4.338 -2.313) 5.022 31.573 ( -1.176 9.650 -2.767) 10.108 32.396 ( 1.445 -10.458 12.197) 16.132 34.451 ( -2.525 0.376 -18.180) 18.358 ======================= Grid point 144 (52/144) ======================= q-point: (-0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 19.870 5.062) 20.505 1.027 ( 0.000 19.289 19.268) 27.264 1.446 ( 0.000 28.623 24.089) 37.411 1.470 ( 0.000 14.809 -3.588) 15.238 2.478 ( -0.000 -0.117 2.110) 2.113 2.683 ( -0.000 -1.257 5.905) 6.038 2.729 ( 0.000 6.149 4.162) 7.426 2.732 ( -0.000 -6.504 0.587) 6.531 2.897 ( -0.000 -3.992 0.567) 4.032 3.060 ( -0.000 -1.382 -1.898) 2.348 3.066 ( -0.000 -7.305 7.125) 10.205 3.507 ( 0.000 1.711 1.359) 2.185 4.490 ( 0.000 0.536 0.198) 0.571 4.535 ( 0.000 1.928 -0.280) 1.948 4.626 ( 0.000 1.018 -0.257) 1.050 5.278 ( 0.000 14.747 -28.190) 31.815 6.100 ( -0.000 -0.995 -6.389) 6.466 6.887 ( -0.000 -11.738 2.574) 12.017 9.616 ( 0.000 0.306 0.646) 0.715 9.732 ( 0.000 2.625 -0.553) 2.682 10.460 ( 0.000 0.359 0.434) 0.564 10.688 ( 0.000 0.818 -1.110) 1.379 14.713 ( 0.000 1.783 3.230) 3.690 14.905 ( -0.000 -1.762 0.346) 1.796 14.995 ( -0.000 -1.767 -0.579) 1.860 15.104 ( -0.000 -1.639 0.142) 1.646 15.776 ( -0.000 -2.553 0.339) 2.575 15.850 ( 0.000 1.467 -2.427) 2.836 22.682 ( 0.000 0.513 0.229) 0.562 22.759 ( -0.000 -0.059 -0.490) 0.494 30.678 ( -0.000 -10.959 20.179) 22.963 30.934 ( 0.000 6.268 2.384) 6.706 31.310 ( 0.000 2.390 1.841) 3.017 31.407 ( 0.000 9.060 -2.504) 9.400 32.556 ( -0.000 -8.875 8.002) 11.949 34.366 ( 0.000 10.848 -26.776) 28.890 ======================= Grid point 147 (53/144) ======================= q-point: ( 0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 5.839 -0.000 35.842) 36.315 1.242 ( 18.214 -0.000 6.020) 19.183 2.249 ( 18.575 -0.000 1.445) 18.631 2.301 ( 35.666 -0.000 1.107) 35.683 2.491 ( -11.323 0.000 0.701) 11.344 2.626 ( -5.079 0.000 -0.713) 5.129 2.675 ( -3.503 0.000 7.777) 8.529 2.738 ( 5.661 -0.000 -6.386) 8.534 2.921 ( 9.548 -0.000 2.725) 9.929 3.146 ( -3.087 0.000 6.695) 7.373 3.162 ( -3.199 0.000 -2.072) 3.811 3.273 ( -4.394 0.000 4.092) 6.005 4.260 ( -7.583 0.000 2.158) 7.884 4.651 ( 1.476 -0.000 -1.918) 2.420 4.665 ( 1.212 -0.000 1.673) 2.066 5.177 ( -3.228 0.000 -23.901) 24.118 6.088 ( -0.774 0.000 -7.134) 7.176 6.177 ( -15.529 0.000 12.441) 19.898 9.668 ( 0.967 -0.000 2.368) 2.557 9.833 ( 4.409 -0.000 -0.420) 4.429 10.534 ( 2.025 -0.000 1.383) 2.453 10.758 ( 2.744 -0.000 -1.022) 2.928 14.656 ( 0.086 -0.000 1.720) 1.722 14.892 ( -4.242 0.000 -0.473) 4.268 14.903 ( -3.055 0.000 -0.801) 3.158 15.107 ( 0.106 -0.000 -2.323) 2.325 15.674 ( -2.730 0.000 -0.015) 2.730 15.781 ( -0.032 0.000 -3.606) 3.606 22.687 ( 0.383 -0.000 0.326) 0.503 22.768 ( 0.240 -0.000 -0.504) 0.558 30.508 ( 1.831 -0.000 8.710) 8.900 31.284 ( 12.852 -0.000 -1.063) 12.896 31.636 ( 11.843 -0.000 6.573) 13.545 31.886 ( 7.433 -0.000 -3.553) 8.239 32.433 ( -7.682 0.000 8.450) 11.420 34.016 ( -2.991 0.000 -14.969) 15.265 ======================= Grid point 148 (54/144) ======================= q-point: ( 0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 6.477 -2.745 28.899) 29.743 1.567 ( 14.733 -11.103 4.885) 19.084 2.297 ( -11.674 4.435 1.522) 12.581 2.425 ( 11.846 2.327 1.697) 12.191 2.460 ( -7.545 6.596 3.327) 10.559 2.639 ( -0.030 -0.791 2.814) 2.924 2.749 ( 20.160 -2.574 2.583) 20.487 2.869 ( 6.062 -2.765 -1.103) 6.754 2.982 ( -2.275 -0.847 -0.524) 2.484 3.116 ( -2.886 -0.408 -1.949) 3.506 3.153 ( -0.168 -1.271 4.561) 4.737 3.295 ( 2.765 -7.598 5.630) 9.852 4.154 ( -4.352 1.636 1.425) 4.863 4.526 ( 0.058 15.111 -0.211) 15.113 4.691 ( 0.384 -2.680 -1.006) 2.888 5.234 ( -7.946 -14.716 -16.894) 23.772 6.013 ( -8.578 -0.559 5.332) 10.116 6.094 ( -2.765 -2.245 -3.866) 5.257 9.682 ( 0.935 -0.066 2.339) 2.520 9.892 ( 4.306 0.048 -0.538) 4.339 10.554 ( 2.155 0.949 1.385) 2.732 10.794 ( 2.876 0.259 -1.157) 3.110 14.667 ( 0.224 -1.150 1.514) 1.914 14.830 ( -3.947 0.419 -0.399) 3.989 14.867 ( -3.822 -0.871 -0.670) 3.977 15.103 ( 0.047 0.798 -2.162) 2.305 15.638 ( -2.299 0.099 0.040) 2.302 15.784 ( -0.233 -0.411 -3.365) 3.398 22.694 ( 0.379 -0.231 0.242) 0.506 22.770 ( 0.209 0.184 -0.511) 0.583 30.571 ( 3.999 -3.148 6.485) 8.244 31.410 ( 11.996 5.015 -1.609) 13.101 31.779 ( 10.337 5.363 -2.195) 11.851 31.932 ( 10.125 6.295 1.319) 11.995 32.313 ( -5.627 2.275 11.679) 13.162 34.052 ( -6.381 -11.471 -12.597) 18.193 ======================= Grid point 149 (55/144) ======================= q-point: ( 0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 4.879 -5.643 22.004) 23.235 1.868 ( 2.587 -6.571 -2.378) 7.452 2.105 ( -1.005 3.368 5.865) 6.838 2.308 ( -6.154 -0.591 5.908) 8.552 2.506 ( 2.188 0.873 1.834) 2.985 2.644 ( 0.392 -1.330 7.089) 7.223 2.840 ( -3.243 1.222 1.728) 3.873 2.866 ( -4.735 2.335 0.749) 5.333 2.992 ( -2.430 4.048 2.912) 5.547 3.165 ( 4.037 -3.715 -1.202) 5.616 3.199 ( 4.692 -5.142 0.400) 6.972 3.461 ( 0.689 -8.612 3.656) 9.381 4.151 ( 5.515 -0.429 -0.180) 5.535 4.330 ( 2.230 11.281 -0.189) 11.501 4.731 ( -1.031 -3.128 -0.734) 3.375 5.334 ( -9.781 -14.064 -11.757) 20.777 5.930 ( -5.433 -0.662 2.558) 6.041 6.097 ( -1.557 -1.924 -4.791) 5.393 9.694 ( 0.695 -0.017 2.161) 2.270 9.941 ( 3.630 0.640 -0.714) 3.754 10.565 ( 2.029 1.365 1.369) 2.803 10.823 ( 2.589 0.893 -1.327) 3.044 14.693 ( 0.172 -1.895 0.993) 2.147 14.777 ( -3.390 0.103 -0.474) 3.425 14.832 ( -3.517 -1.323 -0.182) 3.762 15.085 ( -0.044 1.730 -1.623) 2.373 15.613 ( -1.727 -0.414 0.226) 1.790 15.786 ( -0.353 -0.423 -2.771) 2.826 22.703 ( 0.315 -0.342 0.076) 0.472 22.768 ( 0.161 0.360 -0.560) 0.685 30.703 ( 5.024 -6.446 4.159) 9.170 31.471 ( 10.526 7.080 -2.275) 12.888 31.738 ( 6.216 12.088 -5.939) 14.833 31.905 ( 6.527 14.569 1.003) 15.996 32.310 ( 2.969 -3.987 15.764) 16.530 34.141 ( -8.806 -13.463 -10.621) 19.277 ======================= Grid point 150 (56/144) ======================= q-point: ( 0.45 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 1.669 -4.854 13.365) 14.316 1.816 ( -0.569 3.230 1.605) 3.651 2.137 ( -4.653 -4.983 -0.099) 6.818 2.395 ( 2.782 -9.568 9.294) 13.626 2.451 ( -5.420 1.945 2.663) 6.344 2.642 ( -4.907 3.999 13.202) 14.641 2.698 ( -8.341 -0.426 -0.311) 8.357 2.804 ( -10.696 1.662 4.521) 11.730 2.854 ( 4.543 5.141 0.077) 6.861 3.246 ( -1.302 -5.880 -2.229) 6.422 3.331 ( 3.735 -2.059 2.554) 4.972 3.580 ( 1.172 -6.708 1.342) 6.940 4.239 ( 8.065 4.000 -0.121) 9.003 4.284 ( 7.272 3.689 -0.259) 8.158 4.764 ( -1.817 -4.240 -1.746) 4.932 5.387 ( -11.295 -12.509 -8.482) 18.868 5.884 ( -2.217 -0.073 -0.161) 2.224 6.109 ( -0.973 -2.049 -4.322) 4.881 9.699 ( 0.262 0.236 1.966) 1.997 9.967 ( 2.636 1.516 -0.904) 3.172 10.567 ( 1.553 1.642 1.308) 2.611 10.835 ( 1.983 1.647 -1.482) 2.974 14.723 ( -0.201 -1.984 -0.327) 2.021 14.741 ( -2.248 -0.592 -0.474) 2.373 14.820 ( -2.299 -2.524 1.127) 3.595 15.052 ( -0.102 2.537 -0.888) 2.690 15.604 ( -1.240 -0.983 0.382) 1.627 15.789 ( -0.195 -0.600 -2.219) 2.307 22.711 ( 0.199 -0.293 -0.066) 0.361 22.764 ( 0.130 0.451 -0.651) 0.803 30.889 ( 5.163 -9.281 1.151) 10.682 31.463 ( 3.970 8.321 -5.263) 10.616 31.611 ( 3.766 13.884 -0.364) 14.390 31.791 ( 12.966 15.017 1.056) 19.868 32.406 ( 3.504 -1.011 14.120) 14.583 34.204 ( -10.331 -12.320 -9.412) 18.630 ======================= Grid point 151 (57/144) ======================= q-point: (-0.45 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 3.028 -4.657 6.454) 8.516 1.852 ( 5.750 -1.439 3.568) 6.918 2.137 ( -8.638 -5.018 -0.334) 9.995 2.285 ( -12.731 3.699 3.351) 13.675 2.414 ( -17.160 -3.338 2.612) 17.676 2.493 ( -1.703 2.606 14.616) 14.944 2.642 ( -8.325 -1.131 1.284) 8.499 2.714 ( 7.745 0.998 10.983) 13.477 2.886 ( 4.956 2.743 -0.213) 5.668 3.291 ( -1.759 -1.624 -0.370) 2.423 3.372 ( -2.557 -3.992 2.568) 5.391 3.669 ( 0.560 -1.655 0.304) 1.773 4.271 ( 8.721 4.823 0.757) 9.995 4.343 ( 8.314 3.416 -0.885) 9.032 4.801 ( -2.660 -4.144 -2.839) 5.684 5.415 ( -11.557 -12.284 -8.743) 18.997 5.878 ( -0.060 -1.284 -0.888) 1.562 6.132 ( -0.576 -2.577 -3.081) 4.057 9.693 ( -0.200 0.605 1.777) 1.887 9.965 ( 1.549 2.463 -1.042) 3.091 10.557 ( 0.910 1.908 1.181) 2.421 10.827 ( 1.229 2.297 -1.613) 3.064 14.728 ( -1.368 -1.577 -0.661) 2.190 14.758 ( 0.446 -2.066 -1.118) 2.391 14.843 ( -1.408 -3.548 2.245) 4.429 15.010 ( -0.103 2.846 -0.080) 2.849 15.609 ( -0.791 -1.461 0.454) 1.722 15.799 ( 0.086 -0.908 -1.848) 2.061 22.716 ( 0.085 -0.112 -0.135) 0.195 22.759 ( 0.108 0.422 -0.730) 0.850 31.099 ( 4.127 -9.919 -3.006) 11.156 31.307 ( -3.763 11.043 -4.894) 12.651 31.496 ( 8.768 12.521 3.286) 15.635 31.799 ( 16.251 11.868 1.273) 20.163 32.410 ( 0.173 3.888 13.136) 13.700 34.234 ( -10.842 -11.276 -9.089) 18.092 ======================= Grid point 152 (58/144) ======================= q-point: (-0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 4.650 -5.131 4.363) 8.184 1.881 ( -5.593 8.700 2.101) 10.553 2.017 ( -0.814 -0.497 4.782) 4.877 2.094 ( -12.203 -2.103 -0.922) 12.417 2.285 ( -10.979 -4.261 5.908) 13.176 2.477 ( 1.462 -2.810 14.183) 14.533 2.598 ( -8.305 -6.759 0.365) 10.714 2.782 ( 7.991 6.099 8.374) 13.084 2.885 ( 3.329 4.312 1.279) 5.595 3.204 ( -5.868 6.477 4.390) 9.780 3.410 ( -2.171 -4.839 -1.047) 5.406 3.600 ( -5.181 6.043 1.507) 8.101 4.367 ( 11.717 1.380 0.218) 11.800 4.410 ( 9.030 2.614 -1.024) 9.456 4.797 ( -4.514 -1.627 -2.013) 5.203 5.445 ( -9.574 -10.735 -14.225) 20.230 5.922 ( 0.292 -4.380 -0.211) 4.395 6.175 ( -0.444 -4.523 -0.107) 4.546 9.677 ( -0.491 0.937 1.576) 1.898 9.937 ( 0.593 3.285 -1.089) 3.511 10.537 ( 0.388 2.014 0.963) 2.266 10.802 ( 0.540 2.654 -1.721) 3.209 14.747 ( -0.212 -2.348 -0.456) 2.402 14.802 ( 1.081 -2.345 -0.973) 2.760 14.873 ( -1.411 -2.503 2.175) 3.604 14.974 ( -0.062 1.303 0.752) 1.505 15.626 ( -0.340 -1.890 0.455) 1.973 15.817 ( 0.297 -1.154 -1.658) 2.042 22.716 ( 0.016 0.195 -0.173) 0.261 22.755 ( 0.080 0.239 -0.702) 0.746 31.070 ( -3.082 11.981 -0.775) 12.395 31.279 ( 3.736 -3.611 -8.118) 9.638 31.459 ( 6.331 6.538 2.220) 9.368 31.850 ( 15.010 9.427 3.505) 18.068 32.305 ( -3.231 6.872 13.176) 15.208 34.258 ( -9.440 -10.562 -9.683) 17.159 ======================= Grid point 153 (59/144) ======================= q-point: (-0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -9.817 13.506 1.393) 16.755 1.769 ( 0.642 12.497 14.299) 19.001 1.975 ( -9.617 -0.347 -3.942) 10.400 2.164 ( 7.881 -9.455 3.157) 12.707 2.318 ( -1.893 -10.229 2.985) 10.823 2.542 ( 1.045 -0.394 10.664) 10.722 2.615 ( -6.087 -8.102 -0.870) 10.171 2.719 ( 2.621 10.633 3.303) 11.438 2.830 ( 1.384 10.304 14.340) 17.713 3.025 ( -3.186 3.528 0.499) 4.780 3.368 ( -6.779 6.628 -0.494) 9.494 3.484 ( -0.337 -1.124 1.076) 1.592 4.486 ( 8.219 1.461 -0.230) 8.351 4.516 ( 9.661 0.865 -0.076) 9.699 4.731 ( -6.663 0.361 -0.784) 6.719 5.469 ( -5.138 -5.672 -20.635) 22.008 6.000 ( 0.041 -4.972 -2.809) 5.711 6.272 ( -0.379 -10.157 5.630) 11.619 9.655 ( -0.445 1.088 1.344) 1.786 9.888 ( -0.002 3.792 -1.046) 3.933 10.511 ( 0.130 1.823 0.642) 1.937 10.766 ( 0.085 2.613 -1.766) 3.155 14.787 ( 0.606 -2.452 -0.065) 2.527 14.836 ( 0.298 0.667 1.475) 1.646 14.881 ( -0.542 -2.224 -0.136) 2.293 14.982 ( -0.294 -2.399 1.390) 2.788 15.655 ( 0.047 -2.348 0.426) 2.387 15.839 ( 0.307 -1.161 -1.614) 2.012 22.711 ( -0.010 0.535 -0.179) 0.564 22.755 ( 0.041 -0.010 -0.581) 0.582 30.866 ( -1.476 11.182 1.865) 11.432 31.308 ( 6.134 8.210 -0.867) 10.285 31.436 ( -2.173 1.373 -7.058) 7.512 31.910 ( 12.079 10.134 -0.155) 15.768 32.168 ( -5.512 0.026 17.632) 18.473 34.303 ( -5.395 -9.144 -11.265) 15.479 ======================= Grid point 154 (60/144) ======================= q-point: (-0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 17.203 2.737) 17.419 1.547 ( 0.000 16.558 17.491) 24.085 1.856 ( 0.000 7.524 -4.246) 8.639 2.295 ( 0.000 15.937 1.972) 16.058 2.452 ( -0.000 -2.589 11.930) 12.207 2.463 ( -0.000 -9.751 1.354) 9.844 2.563 ( 0.000 5.969 1.818) 6.240 2.720 ( -0.000 -7.279 0.982) 7.345 2.766 ( -0.000 -2.726 15.201) 15.443 3.015 ( -0.000 -1.341 -1.724) 2.184 3.182 ( 0.000 10.426 1.809) 10.581 3.511 ( -0.000 -1.506 -0.180) 1.517 4.523 ( 0.000 1.576 0.319) 1.608 4.604 ( 0.000 2.653 -0.543) 2.708 4.636 ( -0.000 -0.603 0.388) 0.716 5.473 ( 0.000 0.526 -23.766) 23.772 6.055 ( -0.000 -2.569 -5.846) 6.385 6.464 ( -0.000 -15.255 8.298) 17.366 9.636 ( 0.000 0.973 1.089) 1.461 9.830 ( 0.000 3.806 -0.917) 3.915 10.488 ( 0.000 1.426 0.315) 1.461 10.731 ( 0.000 2.146 -1.653) 2.709 14.795 ( 0.000 3.235 2.471) 4.071 14.836 ( -0.000 -2.852 0.302) 2.868 14.923 ( -0.000 -2.956 -0.607) 3.018 15.023 ( -0.000 -3.281 1.319) 3.536 15.694 ( -0.000 -2.728 0.410) 2.758 15.856 ( -0.000 -0.759 -1.732) 1.891 22.701 ( 0.000 0.698 -0.088) 0.704 22.756 ( -0.000 -0.127 -0.498) 0.514 30.711 ( 0.000 8.259 5.323) 9.826 31.197 ( 0.000 11.178 2.837) 11.532 31.393 ( 0.000 2.012 -6.787) 7.079 31.776 ( 0.000 15.416 -3.159) 15.736 32.240 ( -0.000 -10.787 16.257) 19.511 34.381 ( -0.000 -5.972 -14.080) 15.294 ======================= Grid point 159 (61/144) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 6.095 -0.000 29.123) 29.754 1.672 ( 12.407 -0.000 0.210) 12.409 2.154 ( -11.702 0.000 4.358) 12.487 2.423 ( -8.935 0.000 2.149) 9.190 2.506 ( -1.765 0.000 1.858) 2.563 2.602 ( -1.381 0.000 5.732) 5.896 2.807 ( -4.428 0.000 -4.251) 6.138 2.926 ( -3.514 0.000 3.030) 4.640 2.995 ( 2.252 -0.000 -3.694) 4.326 3.121 ( 7.903 -0.000 0.382) 7.912 3.221 ( 1.012 -0.000 9.603) 9.656 3.263 ( 10.938 -0.000 2.539) 11.228 4.136 ( 1.617 -0.000 1.284) 2.065 4.682 ( 0.521 -0.000 -1.264) 1.368 4.694 ( 0.868 -0.000 1.700) 1.909 4.922 ( -12.748 0.000 -12.409) 17.790 5.912 ( -4.717 0.000 3.844) 6.085 6.071 ( -0.473 0.000 -7.824) 7.838 9.693 ( 0.884 -0.000 2.458) 2.612 9.951 ( 4.223 -0.000 -0.753) 4.290 10.590 ( 2.054 -0.000 1.366) 2.467 10.837 ( 3.061 -0.000 -1.245) 3.304 14.663 ( 0.335 -0.000 1.635) 1.669 14.772 ( -4.470 0.000 -0.248) 4.477 14.814 ( -3.379 0.000 -0.432) 3.407 15.111 ( 0.184 -0.000 -2.624) 2.631 15.607 ( -2.213 0.000 0.168) 2.220 15.779 ( -0.179 0.000 -3.358) 3.363 22.697 ( 0.361 -0.000 0.298) 0.468 22.774 ( 0.196 -0.000 -0.497) 0.534 30.606 ( 4.694 -0.000 6.246) 7.813 31.588 ( 8.588 -0.000 -6.822) 10.968 32.012 ( 15.991 -0.000 4.140) 16.518 32.053 ( 2.674 -0.000 2.339) 3.553 32.303 ( 1.069 -0.000 8.074) 8.145 33.867 ( -7.805 0.000 -11.434) 13.844 ======================= Grid point 160 (62/144) ======================= q-point: ( 0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 5.608 -1.799 23.550) 24.275 1.802 ( -1.775 -3.589 -4.173) 5.784 2.080 ( -0.893 -4.227 7.530) 8.682 2.240 ( -8.550 5.218 3.933) 10.760 2.451 ( -7.974 -1.322 1.033) 8.149 2.579 ( -5.501 -3.188 4.922) 8.041 2.688 ( -15.307 -1.815 -1.364) 15.475 2.869 ( -1.533 3.275 7.264) 8.115 3.026 ( -2.121 -6.127 -0.427) 6.498 3.095 ( 0.480 7.689 4.461) 8.902 3.305 ( 3.658 -6.055 0.345) 7.083 3.449 ( 11.972 1.326 1.164) 12.101 4.220 ( 8.157 -1.738 0.747) 8.374 4.525 ( 0.459 11.497 -0.645) 11.524 4.701 ( 0.464 -0.559 -1.233) 1.431 4.966 ( -9.345 -15.297 -5.450) 18.736 5.873 ( -2.044 -0.401 0.155) 2.089 6.070 ( -0.375 -0.603 -7.662) 7.695 9.704 ( 0.706 0.094 2.383) 2.487 9.999 ( 3.564 0.590 -0.977) 3.742 10.609 ( 1.867 0.911 1.359) 2.482 10.872 ( 2.782 0.693 -1.398) 3.190 14.675 ( 0.277 -0.991 1.478) 1.801 14.721 ( -3.891 -0.663 -0.146) 3.950 14.775 ( -2.944 -0.563 -0.191) 3.004 15.106 ( 0.172 1.016 -2.501) 2.705 15.583 ( -1.815 -0.387 0.394) 1.897 15.777 ( -0.301 -0.191 -2.950) 2.972 22.703 ( 0.301 -0.189 0.224) 0.420 22.775 ( 0.156 0.217 -0.514) 0.580 30.695 ( 4.773 -3.472 5.448) 8.033 31.645 ( 3.504 3.351 -8.963) 10.190 31.976 ( 4.430 9.871 5.530) 12.151 32.220 ( 10.691 7.914 2.926) 13.619 32.334 ( 9.194 -0.927 6.823) 11.487 33.832 ( -10.001 -10.011 -9.872) 17.254 ======================= Grid point 161 (63/144) ======================= q-point: ( 0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.782 -2.186 14.854) 15.269 1.805 ( -1.478 -4.416 0.008) 4.656 2.022 ( -8.122 2.395 1.178) 8.549 2.191 ( -10.871 -7.390 6.614) 14.715 2.351 ( -10.647 -0.732 -0.783) 10.701 2.488 ( -15.050 -3.003 1.474) 15.417 2.593 ( -1.051 -6.746 9.163) 11.427 2.770 ( -3.989 5.589 13.222) 14.898 3.016 ( 4.459 6.293 1.675) 7.892 3.107 ( -1.982 -7.995 0.082) 8.238 3.432 ( 5.520 0.893 -2.616) 6.174 3.535 ( 4.563 -2.366 0.853) 5.211 4.357 ( 7.953 -1.011 0.641) 8.043 4.449 ( 5.395 5.619 -0.459) 7.803 4.712 ( 0.054 -0.823 -1.213) 1.467 5.037 ( -10.780 -12.493 -3.792) 16.931 5.861 ( -0.791 -0.360 -1.928) 2.115 6.079 ( -0.256 -1.170 -6.972) 7.074 9.708 ( 0.383 0.377 2.234) 2.298 10.025 ( 2.587 1.482 -1.179) 3.206 10.613 ( 1.457 1.620 1.322) 2.549 10.888 ( 2.138 1.613 -1.561) 3.100 14.685 ( -2.368 -1.252 -0.150) 2.683 14.703 ( -0.326 -1.658 0.773) 1.858 14.759 ( -1.992 -1.818 0.606) 2.764 15.086 ( 0.099 2.001 -1.978) 2.815 15.571 ( -1.360 -0.951 0.575) 1.756 15.778 ( -0.249 -0.480 -2.458) 2.517 22.710 ( 0.195 -0.250 0.095) 0.331 22.772 ( 0.128 0.384 -0.573) 0.702 30.832 ( 4.297 -6.847 3.663) 8.875 31.578 ( -1.891 6.732 -7.365) 10.155 31.893 ( 6.668 11.817 5.290) 14.563 32.174 ( 10.750 12.981 2.975) 17.115 32.493 ( 10.741 1.331 5.086) 11.959 33.859 ( -12.224 -13.019 -8.387) 19.729 ======================= Grid point 162 (64/144) ======================= q-point: (-0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 4.011 -4.684 7.909) 10.028 1.898 ( 2.469 -0.888 0.710) 2.718 1.916 ( -8.476 -7.212 0.547) 11.143 2.095 ( -16.540 -6.084 4.637) 18.224 2.125 ( -14.912 0.677 2.560) 15.145 2.421 ( -8.722 -5.343 4.049) 11.000 2.596 ( -3.225 7.402 12.837) 15.166 2.777 ( 5.929 -7.525 12.930) 16.092 3.006 ( 4.408 4.069 0.841) 6.058 3.201 ( -1.347 -7.520 -0.985) 7.703 3.388 ( 0.626 7.837 -0.277) 7.867 3.673 ( 4.317 -3.815 -1.116) 5.868 4.442 ( 7.669 3.196 0.876) 8.355 4.468 ( 5.062 1.102 -1.226) 5.324 4.732 ( -0.266 -1.586 -1.647) 2.302 5.058 ( -12.478 -12.008 -3.909) 17.753 5.862 ( -0.160 -0.682 -2.516) 2.612 6.097 ( -0.151 -1.670 -5.933) 6.165 9.702 ( 0.047 0.756 2.055) 2.190 10.024 ( 1.518 2.454 -1.311) 3.170 10.600 ( 0.877 2.141 1.227) 2.619 10.881 ( 1.315 2.462 -1.709) 3.273 14.680 ( -1.564 -2.030 -0.108) 2.565 14.732 ( 0.326 -2.141 -0.239) 2.179 14.775 ( -1.187 -3.099 1.679) 3.719 15.051 ( 0.019 2.746 -1.200) 2.997 15.575 ( -0.880 -1.491 0.645) 1.847 15.786 ( -0.080 -0.878 -2.056) 2.237 22.715 ( 0.087 -0.195 -0.013) 0.214 22.768 ( 0.103 0.469 -0.654) 0.811 31.004 ( 3.180 -9.315 0.505) 9.856 31.419 ( -2.906 9.840 -4.054) 11.032 31.801 ( 7.088 12.741 3.682) 15.038 32.142 ( 8.747 9.915 6.216) 14.611 32.556 ( 9.392 8.474 2.001) 12.807 33.888 ( -12.506 -13.765 -7.631) 20.103 ======================= Grid point 163 (65/144) ======================= q-point: (-0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 4.848 -5.220 3.698) 8.027 1.844 ( -10.262 -2.588 -1.796) 10.734 1.857 ( -6.981 -0.380 2.141) 7.312 2.023 ( -4.187 -7.557 4.516) 9.749 2.122 ( 2.723 -2.960 6.398) 7.557 2.372 ( -10.454 -5.710 1.442) 11.999 2.484 ( 0.054 2.519 17.802) 17.980 2.942 ( 6.857 -2.026 10.368) 12.595 2.998 ( 2.357 3.453 0.858) 4.268 3.226 ( -3.035 8.618 0.135) 9.137 3.302 ( -1.744 -5.707 -1.109) 6.070 3.676 ( -0.164 7.430 1.124) 7.516 4.517 ( 6.031 0.061 -1.778) 6.288 4.538 ( 7.726 0.744 0.154) 7.764 4.733 ( -1.717 0.132 -1.588) 2.343 5.094 ( -10.864 -15.747 -7.604) 20.587 5.879 ( 0.018 -1.887 -1.560) 2.448 6.124 ( -0.106 -2.298 -4.291) 4.869 9.688 ( -0.127 1.084 1.847) 2.146 9.995 ( 0.580 3.298 -1.339) 3.606 10.574 ( 0.338 2.371 1.058) 2.619 10.852 ( 0.537 2.992 -1.829) 3.548 14.703 ( -0.464 -2.781 0.095) 2.821 14.776 ( 0.792 -2.795 -0.527) 2.953 14.810 ( -1.022 -3.365 1.914) 4.004 15.008 ( -0.017 2.920 -0.306) 2.936 15.592 ( -0.390 -1.930 0.614) 2.063 15.801 ( 0.045 -1.232 -1.783) 2.168 22.718 ( 0.024 -0.051 -0.085) 0.102 22.762 ( 0.058 0.446 -0.697) 0.830 31.165 ( 0.642 -4.215 -2.672) 5.032 31.242 ( -0.684 6.061 -3.639) 7.102 31.706 ( 5.384 12.134 3.676) 13.774 32.097 ( 3.493 6.859 12.521) 14.698 32.486 ( 5.609 14.741 -1.698) 15.863 33.952 ( -7.927 -14.090 -7.899) 17.993 ======================= Grid point 164 (66/144) ======================= q-point: (-0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 9.279 0.497) 9.292 1.864 ( -0.000 -4.796 -2.690) 5.499 1.907 ( 0.000 1.809 11.094) 11.240 2.126 ( -0.000 -11.804 3.200) 12.230 2.144 ( 0.000 0.503 5.375) 5.398 2.421 ( -0.000 -10.666 -0.451) 10.676 2.505 ( -0.000 -3.674 16.157) 16.570 2.929 ( 0.000 10.545 0.263) 10.548 3.005 ( 0.000 5.512 12.638) 13.788 3.031 ( 0.000 5.928 -0.579) 5.956 3.366 ( -0.000 -2.742 -3.243) 4.247 3.523 ( 0.000 9.079 3.977) 9.912 4.575 ( 0.000 1.873 0.383) 1.912 4.591 ( -0.000 -2.248 -1.610) 2.765 4.686 ( 0.000 2.805 -0.807) 2.919 5.263 ( -0.000 -15.556 -15.401) 21.890 5.924 ( -0.000 -4.361 -0.068) 4.361 6.168 ( -0.000 -4.228 -0.791) 4.302 9.669 ( 0.000 1.219 1.604) 2.015 9.945 ( 0.000 3.808 -1.252) 4.008 10.542 ( 0.000 2.225 0.830) 2.374 10.810 ( 0.000 3.064 -1.876) 3.593 14.745 ( -0.000 -3.136 0.246) 3.146 14.830 ( -0.000 -3.242 -0.632) 3.303 14.841 ( -0.000 -1.682 1.962) 2.584 14.973 ( 0.000 1.410 0.603) 1.533 15.620 ( -0.000 -2.262 0.521) 2.321 15.822 ( -0.000 -1.383 -1.630) 2.138 22.717 ( 0.000 0.227 -0.146) 0.270 22.757 ( 0.000 0.255 -0.658) 0.705 31.028 ( 0.000 11.928 0.169) 11.929 31.332 ( -0.000 -6.992 -10.127) 12.306 31.560 ( 0.000 12.765 3.343) 13.195 32.063 ( 0.000 0.542 19.961) 19.968 32.276 ( 0.000 17.669 -4.083) 18.135 34.099 ( -0.000 -12.621 -9.234) 15.639 ======================= Grid point 171 (67/144) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 6.424 -0.000 21.691) 22.622 1.701 ( -8.301 0.000 -2.501) 8.669 2.018 ( -4.726 0.000 4.756) 6.704 2.169 ( -9.837 0.000 4.062) 10.643 2.316 ( -7.932 0.000 -0.143) 7.934 2.432 ( -20.174 0.000 -1.739) 20.249 2.464 ( -5.578 0.000 5.676) 7.958 2.895 ( -0.860 0.000 12.074) 12.105 2.930 ( -3.012 0.000 2.304) 3.792 3.157 ( -1.546 0.000 5.509) 5.722 3.297 ( 6.199 -0.000 -3.436) 7.088 3.612 ( 7.267 -0.000 -1.668) 7.456 4.327 ( 9.456 -0.000 1.363) 9.554 4.620 ( -3.154 0.000 -1.664) 3.566 4.702 ( -0.359 0.000 1.482) 1.525 4.759 ( 0.599 -0.000 -3.735) 3.783 5.855 ( -0.636 0.000 -2.097) 2.192 6.062 ( -0.255 0.000 -8.248) 8.252 9.714 ( 0.605 -0.000 2.435) 2.509 10.048 ( 2.936 -0.000 -1.219) 3.179 10.639 ( 1.553 -0.000 1.356) 2.062 10.913 ( 2.482 -0.000 -1.512) 2.906 14.666 ( -3.297 0.000 0.017) 3.297 14.672 ( 0.307 -0.000 1.711) 1.738 14.735 ( -2.458 0.000 -0.179) 2.464 15.117 ( 0.203 -0.000 -2.773) 2.780 15.557 ( -1.558 0.000 0.624) 1.678 15.771 ( -0.367 0.000 -2.831) 2.855 22.705 ( 0.258 -0.000 0.265) 0.370 22.779 ( 0.120 -0.000 -0.496) 0.510 30.728 ( 4.090 -0.000 6.058) 7.310 31.681 ( -1.169 0.000 -8.437) 8.517 32.082 ( 2.031 -0.000 9.636) 9.848 32.461 ( 17.163 -0.000 0.998) 17.192 32.466 ( 7.654 -0.000 2.340) 8.004 33.615 ( -10.935 0.000 -9.037) 14.186 ======================= Grid point 172 (68/144) ======================= q-point: ( 0.45 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.929 1.418 10.155) 10.296 1.679 ( -1.028 -7.115 6.162) 9.468 1.888 ( -15.456 -2.353 1.728) 15.729 2.015 ( -8.685 2.453 5.015) 10.325 2.151 ( -18.532 0.668 -1.245) 18.586 2.278 ( -6.400 -3.767 0.521) 7.445 2.483 ( 1.096 -7.026 8.537) 11.111 2.812 ( -2.233 5.347 13.045) 14.274 2.974 ( -1.447 -6.690 4.245) 8.054 3.127 ( 1.635 3.075 2.715) 4.416 3.428 ( 4.958 -6.663 -3.705) 9.094 3.631 ( 1.852 4.512 -1.957) 5.255 4.449 ( 7.547 -0.461 1.511) 7.711 4.567 ( 1.927 3.515 -0.951) 4.120 4.714 ( -0.504 -1.238 0.233) 1.357 4.805 ( -2.233 -4.382 -1.892) 5.270 5.851 ( -0.178 -0.169 -3.275) 3.284 6.063 ( -0.161 -0.608 -8.098) 8.122 9.718 ( 0.373 0.290 2.381) 2.428 10.074 ( 1.983 0.906 -1.405) 2.593 10.650 ( 1.099 0.974 1.342) 1.989 10.934 ( 1.766 1.008 -1.637) 2.611 14.635 ( -2.243 -0.880 0.091) 2.411 14.683 ( 0.192 -0.993 1.353) 1.689 14.714 ( -1.601 -0.993 0.288) 1.906 15.111 ( 0.142 1.113 -2.586) 2.819 15.543 ( -1.109 -0.575 0.795) 1.480 15.769 ( -0.294 -0.286 -2.555) 2.588 22.709 ( 0.169 -0.130 0.210) 0.299 22.778 ( 0.086 0.210 -0.517) 0.565 30.803 ( 3.052 -3.680 5.562) 7.334 31.626 ( -2.477 3.751 -5.456) 7.069 32.078 ( 2.893 4.718 6.340) 8.416 32.456 ( 6.614 10.645 3.185) 12.931 32.705 ( 16.143 0.131 -1.032) 16.176 33.526 ( -12.821 -8.429 -7.420) 17.044 ======================= Grid point 173 (69/144) ======================= q-point: (-0.45 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 1.229 -4.806 3.116) 5.858 1.715 ( -6.985 -3.352 4.331) 8.876 1.819 ( -6.346 -6.358 7.952) 11.997 1.899 ( -7.408 -0.560 0.804) 7.473 1.968 ( -3.657 -2.536 1.367) 4.655 2.237 ( -7.034 -3.055 3.543) 8.448 2.641 ( 1.235 -5.167 8.024) 9.623 2.713 ( -0.060 0.510 16.905) 16.912 3.070 ( -0.709 -7.958 1.862) 8.203 3.104 ( 1.647 3.432 1.950) 4.277 3.531 ( 1.659 7.259 -2.447) 7.838 3.631 ( 2.386 -8.224 -3.093) 9.105 4.523 ( 2.324 1.034 -0.895) 2.697 4.567 ( 5.723 1.313 0.570) 5.899 4.721 ( -2.216 -2.172 0.018) 3.103 4.809 ( -4.372 -2.231 -1.347) 5.089 5.853 ( -0.044 -0.335 -3.607) 3.622 6.075 ( -0.058 -1.179 -7.470) 7.563 9.715 ( 0.120 0.667 2.260) 2.360 10.073 ( 0.930 1.902 -1.498) 2.594 10.640 ( 0.531 1.808 1.290) 2.283 10.929 ( 0.849 2.023 -1.747) 2.805 14.633 ( -1.032 -1.807 0.160) 2.087 14.706 ( 0.212 -1.790 0.126) 1.807 14.722 ( -0.775 -2.224 1.504) 2.794 15.088 ( 0.053 2.119 -2.050) 2.949 15.545 ( -0.556 -1.163 0.841) 1.539 15.773 ( -0.120 -0.665 -2.255) 2.354 22.713 ( 0.065 -0.174 0.111) 0.216 22.775 ( 0.053 0.369 -0.577) 0.687 30.915 ( 1.660 -7.017 3.669) 8.090 31.515 ( -1.617 7.250 -3.254) 8.109 32.019 ( 2.379 7.920 4.217) 9.282 32.360 ( 3.257 10.872 5.980) 12.829 32.851 ( 12.938 8.236 -3.992) 15.848 33.519 ( -11.537 -13.908 -5.806) 18.981 ======================= Grid point 174 (70/144) ======================= q-point: (-0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.000 -7.108 -1.824) 7.338 1.768 ( -0.000 -4.219 0.234) 4.226 1.797 ( -0.000 -3.028 11.647) 12.034 1.845 ( -0.000 -3.275 2.173) 3.930 2.105 ( -0.000 -10.008 -0.258) 10.011 2.203 ( -0.000 -1.506 7.077) 7.236 2.563 ( 0.000 7.227 15.595) 17.188 2.867 ( -0.000 -11.097 12.347) 16.601 3.063 ( 0.000 3.668 1.399) 3.926 3.183 ( -0.000 -7.846 -0.264) 7.851 3.391 ( 0.000 11.810 -1.724) 11.936 3.739 ( -0.000 -1.141 -1.658) 2.013 4.527 ( -0.000 -0.973 -2.342) 2.536 4.626 ( 0.000 1.435 0.446) 1.502 4.761 ( 0.000 2.187 -1.070) 2.435 4.782 ( -0.000 -11.762 -2.128) 11.953 5.861 ( -0.000 -0.770 -3.065) 3.160 6.096 ( -0.000 -1.628 -6.352) 6.557 9.703 ( 0.000 0.977 2.082) 2.300 10.044 ( 0.000 2.770 -1.477) 3.139 10.612 ( 0.000 2.319 1.189) 2.606 10.899 ( 0.000 2.746 -1.823) 3.296 14.659 ( -0.000 -2.539 0.215) 2.548 14.741 ( -0.000 -2.594 -0.639) 2.672 14.755 ( -0.000 -2.961 2.165) 3.668 15.052 ( 0.000 2.814 -1.265) 3.085 15.562 ( -0.000 -1.640 0.767) 1.811 15.785 ( -0.000 -1.021 -1.992) 2.238 22.716 ( -0.000 -0.158 0.010) 0.158 22.769 ( 0.000 0.465 -0.649) 0.798 31.047 ( -0.000 -9.195 0.285) 9.199 31.377 ( 0.000 9.856 -2.298) 10.121 31.907 ( 0.000 10.030 3.810) 10.729 32.229 ( 0.000 9.281 9.971) 13.622 32.765 ( 0.000 14.573 -5.147) 15.456 33.666 ( -0.000 -16.133 -6.121) 17.255 ======================= Grid point 183 (71/144) ======================= q-point: ( 0.45 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -4.435 0.000 -0.052) 4.435 1.671 ( -11.765 0.000 2.693) 12.070 1.684 ( 7.305 -0.000 16.133) 17.710 1.898 ( -10.850 0.000 3.472) 11.393 1.947 ( -10.957 0.000 1.653) 11.081 2.200 ( -2.744 0.000 -0.551) 2.799 2.446 ( 1.697 -0.000 6.997) 7.200 2.866 ( -0.721 0.000 14.376) 14.394 2.873 ( -1.144 0.000 4.746) 4.882 3.161 ( 0.626 -0.000 2.617) 2.690 3.425 ( 2.828 -0.000 -4.316) 5.160 3.673 ( -0.284 0.000 -2.605) 2.621 4.534 ( 5.181 -0.000 2.399) 5.709 4.604 ( 0.386 -0.000 -1.491) 1.541 4.674 ( -1.604 0.000 0.986) 1.883 4.802 ( 1.572 -0.000 -1.541) 2.201 5.849 ( -0.006 0.000 -3.965) 3.965 6.057 ( -0.099 0.000 -8.439) 8.439 9.725 ( 0.211 -0.000 2.424) 2.434 10.102 ( 1.046 -0.000 -1.546) 1.867 10.668 ( 0.586 -0.000 1.353) 1.474 10.961 ( 0.972 -0.000 -1.701) 1.959 14.605 ( -1.192 0.000 0.195) 1.208 14.678 ( 0.130 -0.000 0.993) 1.002 14.689 ( -0.891 0.000 0.766) 1.175 15.121 ( 0.088 -0.000 -2.769) 2.770 15.527 ( -0.608 0.000 0.942) 1.121 15.763 ( -0.190 0.000 -2.526) 2.533 22.710 ( 0.096 -0.000 0.243) 0.262 22.781 ( 0.041 -0.000 -0.496) 0.498 30.807 ( 1.593 -0.000 6.340) 6.537 31.626 ( -1.587 0.000 -3.761) 4.082 32.136 ( 1.269 -0.000 4.857) 5.020 32.622 ( 3.299 -0.000 2.496) 4.137 32.902 ( 15.667 -0.000 -2.559) 15.874 33.291 ( -13.324 0.000 -6.311) 14.743 ======================= Grid point 184 (72/144) ======================= q-point: (-0.45 -0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.000 -3.333 -0.281) 3.345 1.613 ( -0.000 -3.103 3.121) 4.401 1.766 ( 0.000 0.182 21.351) 21.352 1.809 ( -0.000 -1.407 -2.802) 3.136 1.888 ( -0.000 -3.635 0.175) 3.639 2.178 ( 0.000 0.225 1.218) 1.239 2.522 ( -0.000 -8.031 7.606) 11.061 2.781 ( 0.000 5.744 13.486) 14.659 2.954 ( -0.000 -6.893 5.391) 8.751 3.152 ( 0.000 1.802 2.339) 2.952 3.507 ( -0.000 -7.953 -4.272) 9.028 3.637 ( 0.000 4.404 -2.522) 5.075 4.564 ( 0.000 1.475 0.223) 1.492 4.614 ( -0.000 -1.534 0.756) 1.710 4.655 ( 0.000 0.530 0.501) 0.730 4.807 ( 0.000 0.837 -1.261) 1.514 5.850 ( -0.000 -0.123 -4.075) 4.077 6.061 ( -0.000 -0.650 -8.227) 8.253 9.723 ( 0.000 0.371 2.382) 2.411 10.101 ( 0.000 1.011 -1.580) 1.875 10.665 ( 0.000 1.017 1.336) 1.679 10.959 ( 0.000 1.121 -1.740) 2.070 14.605 ( -0.000 -1.016 0.217) 1.038 14.686 ( -0.000 -1.001 -0.632) 1.184 14.692 ( -0.000 -1.161 2.386) 2.654 15.113 ( 0.000 1.146 -2.579) 2.822 15.528 ( -0.000 -0.624 0.957) 1.142 15.764 ( -0.000 -0.349 -2.416) 2.441 22.712 ( -0.000 -0.100 0.204) 0.227 22.779 ( 0.000 0.199 -0.518) 0.555 30.845 ( -0.000 -3.752 5.718) 6.839 31.586 ( 0.000 3.807 -3.023) 4.861 32.117 ( 0.000 3.783 4.118) 5.592 32.548 ( 0.000 10.577 3.543) 11.154 33.077 ( 0.000 5.754 -5.940) 8.270 33.204 ( -0.000 -13.185 -3.480) 13.636 ======================= Grid point 246 (73/144) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.000 0.000 11.821) 11.821 0.978 ( 0.000 0.000 22.283) 22.283 1.113 ( 0.000 0.000 -6.102) 6.102 1.764 ( 0.000 0.000 19.124) 19.124 2.520 ( 0.000 0.000 8.933) 8.933 2.548 ( 0.000 0.000 3.982) 3.982 2.814 ( 0.000 0.000 -1.853) 1.853 2.973 ( 0.000 0.000 0.968) 0.968 3.041 ( 0.000 0.000 -1.999) 1.999 3.043 ( 0.000 0.000 9.606) 9.606 3.386 ( 0.000 0.000 8.796) 8.796 3.493 ( 0.000 0.000 1.058) 1.058 4.492 ( 0.000 0.000 0.002) 0.002 4.494 ( 0.000 0.000 -0.043) 0.043 4.606 ( 0.000 0.000 -0.126) 0.126 4.655 ( 0.000 0.000 2.500) 2.500 5.973 ( 0.000 0.000 -5.546) 5.546 6.767 ( 0.000 0.000 -19.380) 19.380 9.627 ( 0.000 0.000 0.749) 0.749 9.679 ( 0.000 0.000 -0.655) 0.655 10.508 ( 0.000 0.000 2.257) 2.257 10.649 ( 0.000 0.000 -1.630) 1.630 14.769 ( 0.000 0.000 3.572) 3.572 14.944 ( 0.000 0.000 0.702) 0.702 15.005 ( 0.000 0.000 -0.959) 0.959 15.042 ( 0.000 0.000 -3.749) 3.749 15.793 ( 0.000 0.000 0.944) 0.944 15.831 ( 0.000 0.000 -0.032) 0.032 22.685 ( 0.000 0.000 0.691) 0.691 22.745 ( 0.000 0.000 -0.899) 0.899 30.906 ( 0.000 0.000 3.953) 3.953 31.203 ( 0.000 0.000 -4.035) 4.035 31.279 ( 0.000 0.000 3.164) 3.164 31.570 ( 0.000 0.000 -5.089) 5.089 32.854 ( 0.000 0.000 8.726) 8.726 33.405 ( 0.000 0.000 -6.553) 6.553 ======================= Grid point 247 (74/144) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 26.411 -6.384 8.653) 28.517 1.142 ( 7.078 -15.716 16.884) 24.128 1.314 ( 17.964 -7.854 -5.146) 20.270 1.805 ( 0.087 -6.712 17.296) 18.553 2.561 ( 1.337 -2.689 6.253) 6.937 2.566 ( 1.204 -3.185 5.451) 6.427 2.791 ( -0.885 2.763 -0.278) 2.914 2.929 ( -3.842 2.557 1.417) 4.828 3.027 ( -0.557 1.416 8.144) 8.285 3.053 ( 2.894 1.570 -3.139) 4.549 3.341 ( 0.463 3.396 10.135) 10.699 3.517 ( -2.127 -2.700 3.038) 4.588 4.473 ( -3.146 1.204 0.203) 3.375 4.492 ( -0.551 1.188 -0.906) 1.592 4.609 ( 2.529 -1.040 -0.198) 2.742 4.795 ( 5.002 -10.771 -4.256) 12.615 5.966 ( -0.562 0.373 -5.420) 5.462 6.728 ( -5.508 0.222 -16.586) 17.478 9.640 ( 1.568 -0.071 0.891) 1.805 9.700 ( 1.594 -1.266 -0.752) 2.170 10.505 ( 0.725 0.907 2.360) 2.630 10.656 ( 0.791 -0.156 -1.773) 1.948 14.764 ( -1.309 -0.806 4.096) 4.375 14.937 ( -0.092 0.968 0.422) 1.060 14.989 ( -1.406 0.945 -1.149) 2.047 15.058 ( 0.050 -1.670 -3.581) 3.952 15.784 ( -1.979 0.042 0.451) 2.030 15.805 ( -2.102 0.431 -0.157) 2.151 22.688 ( 0.102 -0.184 0.663) 0.695 22.746 ( 0.084 -0.002 -0.881) 0.885 30.954 ( 3.343 -2.845 3.431) 5.572 31.023 ( -14.779 1.336 4.886) 15.623 31.407 ( 11.888 2.325 -1.113) 12.164 31.442 ( 2.345 12.753 1.122) 13.015 32.819 ( -2.165 2.151 10.345) 10.786 33.620 ( 4.877 -17.736 -17.055) 25.084 ======================= Grid point 248 (75/144) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 17.744 -8.999 9.519) 22.056 1.550 ( 15.532 -13.960 10.145) 23.218 1.703 ( 19.726 -7.438 -4.389) 21.534 1.980 ( 3.510 -12.699 10.096) 16.599 2.576 ( 0.761 2.648 2.282) 3.577 2.666 ( -1.496 0.619 0.538) 1.706 2.751 ( 1.498 -6.367 6.183) 9.000 2.840 ( 0.105 2.404 5.334) 5.852 3.000 ( 0.620 2.053 5.138) 5.568 3.068 ( 2.709 0.962 -1.467) 3.227 3.326 ( 1.304 0.257 13.074) 13.141 3.504 ( -3.550 -1.235 3.483) 5.125 4.377 ( -6.415 2.750 0.344) 6.988 4.424 ( -4.360 3.185 0.117) 5.401 4.699 ( 3.286 -4.441 -0.924) 5.601 5.022 ( 5.882 -8.676 -11.572) 15.613 5.950 ( -0.893 0.404 -5.162) 5.254 6.620 ( -8.232 1.652 -11.560) 14.287 9.665 ( 1.919 -0.160 1.443) 2.406 9.751 ( 2.382 -1.751 -0.914) 3.095 10.506 ( 1.230 0.644 2.380) 2.756 10.673 ( 1.339 -0.204 -2.062) 2.467 14.763 ( -1.626 -1.572 3.788) 4.412 14.912 ( -0.979 1.513 0.447) 1.857 14.946 ( -1.746 1.563 -1.523) 2.795 15.079 ( -0.214 -0.983 -2.583) 2.772 15.735 ( -2.880 1.056 0.577) 3.121 15.787 ( -1.752 -0.884 -1.600) 2.532 22.692 ( 0.130 -0.225 0.529) 0.589 22.746 ( 0.072 0.114 -0.860) 0.870 30.852 ( -6.944 0.689 9.988) 12.184 31.056 ( 3.718 -3.269 3.279) 5.938 31.308 ( 2.929 8.865 -0.995) 9.390 31.524 ( 7.461 1.338 -2.352) 7.936 32.758 ( -1.861 1.497 15.137) 15.325 33.916 ( 3.585 -13.452 -22.430) 26.399 ======================= Grid point 249 (76/144) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 11.534 -10.081 8.442) 17.491 1.887 ( 11.247 -7.117 10.800) 17.140 1.989 ( 9.992 -2.539 -4.502) 11.250 2.140 ( -0.560 -2.645 -1.377) 3.034 2.517 ( 0.398 1.910 4.584) 4.982 2.641 ( 1.554 -1.695 5.141) 5.632 2.842 ( 5.792 2.186 -2.710) 6.758 2.968 ( 6.632 -3.031 12.676) 14.624 2.989 ( 1.428 -2.976 1.216) 3.518 3.115 ( 2.297 -2.786 6.991) 7.868 3.394 ( 3.527 -6.568 10.743) 13.076 3.484 ( -1.009 -1.806 2.292) 3.087 4.234 ( -8.271 2.900 0.588) 8.785 4.295 ( -6.703 3.930 0.781) 7.809 4.798 ( 2.046 -3.505 -0.805) 4.138 5.196 ( 4.642 -5.668 -14.121) 15.909 5.932 ( -0.986 0.326 -4.798) 4.909 6.469 ( -8.583 3.402 -7.672) 12.004 9.694 ( 1.730 -0.326 1.966) 2.639 9.807 ( 2.233 -1.567 -1.063) 2.928 10.518 ( 1.363 0.063 2.341) 2.709 10.696 ( 1.472 -0.266 -2.318) 2.759 14.759 ( -1.698 -0.721 1.663) 2.484 14.859 ( -2.561 2.126 -0.760) 3.414 14.918 ( -0.229 0.079 0.541) 0.593 15.078 ( -0.603 0.413 -1.214) 1.417 15.689 ( -1.980 0.615 0.627) 2.166 15.778 ( -1.522 -0.757 -2.374) 2.920 22.698 ( 0.154 -0.248 0.245) 0.381 22.743 ( -0.006 0.286 -0.877) 0.923 30.818 ( -1.170 -2.787 8.268) 8.803 31.128 ( 2.464 -0.674 4.173) 4.893 31.246 ( 0.852 3.321 -4.457) 5.624 31.546 ( 2.344 4.896 -5.726) 7.890 32.751 ( 1.297 -1.385 21.160) 21.244 34.110 ( 2.457 -7.730 -21.162) 22.664 ======================= Grid point 250 (77/144) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 2.482 -4.572 6.365) 8.221 1.893 ( -4.147 8.358 -0.208) 9.333 2.127 ( 4.766 -7.324 4.998) 10.067 2.267 ( 9.591 -5.920 -0.411) 11.278 2.527 ( 2.463 0.918 7.527) 7.973 2.715 ( 3.594 -1.740 3.042) 5.019 2.855 ( 2.629 3.509 -2.585) 5.090 2.963 ( 2.041 3.431 -1.255) 4.185 3.068 ( -0.333 0.968 16.490) 16.522 3.277 ( 5.794 -8.100 7.629) 12.545 3.498 ( 0.651 -7.094 8.318) 10.952 3.648 ( 8.619 -8.251 1.591) 12.037 4.087 ( -7.817 1.892 0.928) 8.096 4.145 ( -6.227 4.083 1.385) 7.574 4.849 ( 0.258 -1.415 -0.848) 1.670 5.320 ( 3.588 -3.892 -15.357) 16.244 5.915 ( -0.775 0.248 -3.771) 3.858 6.304 ( -7.141 4.119 -5.654) 9.996 9.718 ( 1.189 -0.326 2.266) 2.580 9.852 ( 1.541 -1.053 -1.241) 2.241 10.537 ( 1.075 -0.230 2.327) 2.574 10.717 ( 1.137 -0.258 -2.456) 2.718 14.741 ( -1.239 0.281 -0.515) 1.371 14.795 ( -2.210 1.930 -1.488) 3.290 14.932 ( 0.238 -1.649 2.133) 2.706 15.053 ( -0.829 1.563 0.055) 1.770 15.663 ( -1.058 0.230 0.715) 1.298 15.769 ( -1.023 -0.424 -2.497) 2.731 22.704 ( 0.154 -0.260 -0.069) 0.310 22.738 ( -0.066 0.362 -0.935) 1.005 30.887 ( 1.616 -5.661 3.764) 6.987 31.147 ( 2.764 2.388 2.922) 4.677 31.221 ( -1.771 -0.163 -4.660) 4.988 31.452 ( -1.964 7.146 -5.496) 9.227 32.817 ( 2.996 -2.617 24.079) 24.405 34.219 ( 1.514 -3.787 -19.013) 19.445 ======================= Grid point 251 (78/144) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -2.673 3.688 2.422) 5.159 1.827 ( -0.801 -0.338 2.465) 2.614 2.294 ( 4.340 -5.582 2.941) 7.658 2.427 ( 1.370 -0.746 2.188) 2.687 2.553 ( 3.791 -1.109 8.781) 9.628 2.774 ( 2.144 -0.607 1.883) 2.918 2.816 ( -0.909 2.780 -1.257) 3.183 2.937 ( 0.478 1.714 -2.377) 2.969 3.042 ( -0.345 0.949 20.918) 20.943 3.369 ( 0.209 -1.376 -1.621) 2.136 3.667 ( 4.070 -6.138 14.087) 15.896 3.817 ( 2.564 -3.307 0.534) 4.219 3.991 ( -3.677 0.181 1.641) 4.030 4.030 ( -2.239 3.014 1.297) 3.972 4.856 ( -0.319 -0.163 -1.314) 1.362 5.401 ( 1.674 -1.748 -16.794) 16.968 5.906 ( -0.265 0.090 -1.361) 1.389 6.182 ( -3.123 2.150 -5.693) 6.840 9.733 ( 0.422 -0.135 2.389) 2.430 9.877 ( 0.546 -0.369 -1.366) 1.517 10.550 ( 0.410 -0.134 2.327) 2.366 10.731 ( 0.428 -0.110 -2.499) 2.538 14.727 ( -0.298 0.074 -1.595) 1.624 14.751 ( -0.998 0.929 -1.489) 2.019 14.966 ( 0.458 -2.099 2.125) 3.022 15.014 ( -0.708 2.016 1.099) 2.403 15.652 ( -0.325 0.048 0.786) 0.852 15.764 ( -0.362 -0.128 -2.419) 2.449 22.709 ( 0.078 -0.148 -0.247) 0.299 22.733 ( -0.048 0.198 -1.005) 1.026 31.008 ( 1.939 -6.329 -1.540) 6.796 31.134 ( 1.960 4.277 -2.042) 5.129 31.197 ( -2.195 -0.603 -0.494) 2.329 31.328 ( -1.965 4.105 -1.527) 4.800 32.879 ( 1.414 -1.177 24.515) 24.584 34.268 ( 0.512 -1.112 -17.728) 17.770 ======================= Grid point 258 (79/144) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 8.973 -0.000 17.164) 19.368 1.268 ( 36.643 -0.000 4.805) 36.957 1.579 ( 27.678 -0.000 -2.923) 27.832 1.768 ( 3.201 -0.000 15.758) 16.080 2.522 ( 1.500 -0.000 8.416) 8.548 2.606 ( 2.457 -0.000 2.266) 3.343 2.794 ( -2.262 0.000 0.643) 2.352 2.887 ( -4.762 0.000 2.437) 5.349 3.010 ( -2.206 0.000 8.659) 8.936 3.107 ( 2.399 -0.000 -4.117) 4.765 3.375 ( -0.926 0.000 9.649) 9.693 3.453 ( -2.676 0.000 2.788) 3.865 4.454 ( -3.047 0.000 1.164) 3.261 4.520 ( 1.506 -0.000 -5.518) 5.720 4.676 ( 1.274 -0.000 2.348) 2.672 4.728 ( 6.247 -0.000 -5.067) 8.043 5.956 ( -1.272 0.000 -6.055) 6.187 6.612 ( -10.916 0.000 -12.559) 16.640 9.668 ( 2.318 -0.000 1.040) 2.541 9.721 ( 2.946 -0.000 -0.618) 3.010 10.527 ( 1.356 -0.000 2.267) 2.642 10.670 ( 1.564 -0.000 -1.688) 2.301 14.737 ( -1.590 0.000 4.098) 4.396 14.939 ( -0.842 0.000 -0.223) 0.871 14.968 ( -2.597 0.000 -1.125) 2.830 15.043 ( -0.032 0.000 -3.659) 3.659 15.752 ( -2.716 0.000 0.439) 2.752 15.767 ( -3.161 0.000 -0.406) 3.187 22.689 ( 0.247 -0.000 0.679) 0.723 22.747 ( 0.189 -0.000 -0.889) 0.909 30.846 ( -10.935 0.000 7.597) 13.315 31.008 ( 6.985 -0.000 1.465) 7.137 31.536 ( 8.756 -0.000 4.379) 9.790 31.641 ( 5.350 -0.000 -3.621) 6.461 32.790 ( -4.471 0.000 9.484) 10.485 33.553 ( 6.605 -0.000 -16.690) 17.950 ======================= Grid point 259 (80/144) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 12.114 -7.151 12.458) 18.791 1.684 ( 15.471 -3.903 10.303) 18.993 1.950 ( 25.029 -2.183 0.327) 25.126 1.963 ( 19.901 -3.578 4.834) 20.790 2.585 ( -2.953 -0.028 0.457) 2.989 2.629 ( 2.950 -5.530 1.939) 6.561 2.718 ( -3.212 2.275 6.129) 7.284 2.857 ( 1.201 -1.188 4.058) 4.396 2.990 ( -1.739 -0.942 6.616) 6.905 3.114 ( 0.444 1.173 -3.614) 3.825 3.353 ( 0.639 0.947 11.863) 11.917 3.428 ( -3.691 -1.589 4.095) 5.737 4.357 ( -5.392 4.605 1.135) 7.181 4.491 ( 0.197 8.237 -2.724) 8.678 4.661 ( 1.035 -3.072 0.025) 3.242 4.937 ( 3.763 -11.715 -9.574) 15.590 5.935 ( -1.716 0.039 -6.528) 6.750 6.462 ( -13.433 -2.071 -8.189) 15.868 9.695 ( 2.093 0.280 1.785) 2.765 9.772 ( 3.555 -0.756 -0.704) 3.702 10.540 ( 1.824 0.949 2.376) 3.142 10.695 ( 2.072 0.048 -1.868) 2.790 14.726 ( -1.081 -0.875 3.663) 3.918 14.909 ( -2.447 1.186 -0.288) 2.735 14.931 ( -2.500 0.025 -1.301) 2.818 15.052 ( -0.484 -1.254 -3.399) 3.656 15.706 ( -2.912 0.625 0.196) 2.985 15.744 ( -2.056 -1.230 -1.662) 2.916 22.693 ( 0.297 -0.070 0.613) 0.685 22.750 ( 0.203 0.107 -0.877) 0.906 30.752 ( -4.676 -1.443 9.540) 10.722 31.112 ( 7.620 -0.098 -0.773) 7.660 31.560 ( 6.658 12.297 2.011) 14.127 31.689 ( 10.275 3.991 0.677) 11.044 32.719 ( -4.839 -0.137 12.438) 13.347 33.737 ( 2.049 -13.760 -20.502) 24.777 ======================= Grid point 260 (81/144) ======================= q-point: ( 0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 10.631 -8.479 10.270) 17.041 1.882 ( 3.850 -7.765 11.136) 14.111 2.185 ( 9.369 8.854 -2.172) 13.073 2.202 ( 12.823 1.606 -1.237) 12.982 2.550 ( 2.769 0.307 3.832) 4.738 2.612 ( -0.829 -2.621 3.516) 4.463 2.895 ( 5.055 -11.056 8.594) 14.888 2.933 ( 4.738 0.194 -1.634) 5.016 2.998 ( 0.204 -3.781 6.574) 7.587 3.104 ( -0.181 -1.008 -1.161) 1.548 3.345 ( -2.500 -0.767 10.747) 11.060 3.458 ( 4.539 -4.313 6.152) 8.778 4.202 ( -6.088 5.165 1.205) 8.074 4.334 ( -2.310 9.531 -0.212) 9.809 4.742 ( -0.032 -5.349 -0.519) 5.374 5.130 ( 1.764 -9.379 -12.411) 15.656 5.912 ( -1.830 -0.228 -6.538) 6.793 6.319 ( -13.204 -2.685 -5.666) 14.617 9.717 ( 1.705 0.202 2.381) 2.935 9.829 ( 3.323 -0.571 -0.920) 3.495 10.551 ( 2.017 1.057 2.464) 3.355 10.721 ( 2.190 0.323 -2.147) 3.084 14.729 ( -0.829 -0.971 2.232) 2.571 14.849 ( -3.131 1.529 -0.883) 3.595 14.903 ( -1.937 -0.434 -0.232) 1.999 15.058 ( -1.063 -0.872 -2.463) 2.821 15.666 ( -2.087 0.140 0.303) 2.114 15.741 ( -1.390 -1.331 -2.593) 3.229 22.698 ( 0.303 -0.094 0.400) 0.511 22.749 ( 0.136 0.309 -0.884) 0.946 30.757 ( -0.026 -3.167 8.497) 9.068 31.197 ( 6.394 1.509 -1.826) 6.819 31.451 ( 7.644 14.051 0.064) 15.995 31.717 ( 7.120 9.336 -2.089) 11.926 32.703 ( -1.871 -4.324 18.532) 19.121 33.951 ( -1.439 -13.825 -20.160) 24.488 ======================= Grid point 261 (82/144) ======================= q-point: ( 0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 3.757 -3.245 10.006) 11.170 1.933 ( -6.484 3.674 0.557) 7.474 2.129 ( 6.196 -0.781 3.777) 7.299 2.362 ( 12.027 -0.762 -0.648) 12.069 2.556 ( 0.336 -0.133 8.579) 8.586 2.714 ( 2.890 -2.903 0.682) 4.152 2.901 ( -2.871 2.245 0.079) 3.645 2.988 ( -2.768 0.734 -1.884) 3.428 3.076 ( 1.355 -0.679 13.411) 13.497 3.219 ( 3.093 -7.860 3.926) 9.315 3.373 ( -0.098 -8.702 8.689) 12.298 3.637 ( 5.953 -6.657 5.303) 10.386 4.079 ( -0.584 4.214 0.900) 4.349 4.184 ( -0.609 6.950 0.756) 7.017 4.798 ( -1.729 -3.751 -0.350) 4.145 5.264 ( 0.053 -7.283 -13.798) 15.603 5.894 ( -1.791 -0.591 -5.474) 5.790 6.193 ( -10.719 -2.085 -4.833) 11.942 9.734 ( 1.139 0.182 2.633) 2.875 9.873 ( 2.595 0.031 -1.217) 2.866 10.562 ( 1.774 0.941 2.454) 3.171 10.742 ( 1.889 0.677 -2.373) 3.108 14.727 ( -0.786 -0.245 0.114) 0.831 14.788 ( -2.603 1.338 -1.314) 3.208 14.899 ( -1.276 -1.992 1.525) 2.815 15.048 ( -1.254 0.136 -1.277) 1.795 15.646 ( -1.299 -0.364 0.535) 1.452 15.744 ( -0.846 -1.115 -2.748) 3.083 22.704 ( 0.278 -0.115 0.099) 0.316 22.744 ( 0.068 0.473 -0.926) 1.042 30.835 ( 2.625 -4.765 5.288) 7.587 31.237 ( 4.545 2.946 -3.014) 6.198 31.364 ( 8.320 12.031 -0.404) 14.634 31.611 ( 3.328 13.087 -3.417) 13.929 32.777 ( 0.387 -5.694 22.087) 22.813 34.098 ( -3.472 -10.515 -18.388) 21.465 ======================= Grid point 262 (83/144) ======================= q-point: ( 0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -2.802 4.110 4.404) 6.644 1.836 ( 1.158 0.694 2.984) 3.275 2.267 ( 3.196 -5.948 3.163) 7.456 2.494 ( 4.103 3.562 2.397) 5.939 2.577 ( 3.799 -2.087 7.094) 8.313 2.738 ( -4.525 -0.521 -1.458) 4.783 2.810 ( -4.948 1.590 1.492) 5.407 2.916 ( -4.922 0.095 -0.946) 5.013 3.059 ( -0.314 2.186 19.047) 19.174 3.306 ( -1.839 -5.126 -1.931) 5.778 3.555 ( 0.202 -10.803 10.757) 15.246 3.744 ( -1.275 -4.390 5.178) 6.907 4.066 ( 7.037 4.598 1.310) 8.507 4.136 ( 5.544 4.824 0.687) 7.381 4.815 ( -2.349 -2.728 -0.920) 3.715 5.345 ( -2.335 -5.441 -15.320) 16.424 5.883 ( -1.747 -1.150 -2.617) 3.351 6.112 ( -5.924 -2.696 -5.776) 8.702 9.740 ( 0.429 0.354 2.658) 2.716 9.895 ( 1.596 0.793 -1.482) 2.318 10.568 ( 1.138 1.022 2.382) 2.831 10.750 ( 1.233 1.068 -2.512) 2.995 14.722 ( -0.266 -0.233 -1.230) 1.279 14.746 ( -1.363 0.492 -1.311) 1.954 14.925 ( -0.791 -3.124 2.304) 3.962 15.023 ( -1.052 1.017 -0.073) 1.465 15.641 ( -0.693 -0.684 0.750) 1.229 15.751 ( -0.293 -0.906 -2.582) 2.752 22.709 ( 0.205 -0.088 -0.142) 0.264 22.738 ( 0.054 0.473 -0.981) 1.090 30.956 ( 3.471 -5.588 0.723) 6.618 31.218 ( 0.590 4.960 -5.748) 7.615 31.320 ( 9.088 9.931 1.683) 13.566 31.471 ( 5.458 11.718 -0.998) 12.965 32.847 ( -0.997 -3.498 22.918) 23.205 34.173 ( -4.944 -7.483 -17.192) 19.390 ======================= Grid point 263 (84/144) ======================= q-point: (-0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 2.855 -1.261 3.406) 4.620 1.864 ( 3.445 0.159 1.647) 3.822 2.303 ( -5.799 2.418 3.463) 7.174 2.460 ( 0.998 -0.499 4.282) 4.425 2.508 ( -9.335 7.668 3.431) 12.558 2.710 ( -3.709 -1.466 -1.815) 4.382 2.754 ( -3.644 -3.482 3.020) 5.876 2.877 ( -2.653 -1.309 0.139) 2.961 3.038 ( 0.110 0.187 19.747) 19.749 3.343 ( -1.651 -2.733 -1.723) 3.627 3.629 ( -4.681 -2.402 12.139) 13.230 3.764 ( -3.008 -1.303 4.424) 5.507 4.111 ( 8.917 3.573 2.038) 9.820 4.151 ( 8.248 5.104 0.201) 9.701 4.827 ( -1.805 -2.580 -1.645) 3.553 5.351 ( -5.336 -2.345 -16.120) 17.141 5.886 ( -1.026 -1.794 -1.630) 2.632 6.131 ( -0.757 -6.086 -6.092) 8.645 9.734 ( -0.304 0.655 2.552) 2.652 9.892 ( 0.524 1.569 -1.621) 2.317 10.561 ( 0.349 1.273 2.267) 2.623 10.742 ( 0.416 1.404 -2.594) 2.979 14.726 ( 0.202 -0.504 -1.366) 1.470 14.747 ( 0.735 -1.194 -1.278) 1.897 14.959 ( -1.052 -2.298 2.156) 3.322 14.998 ( -0.340 0.359 0.965) 1.084 15.647 ( -0.165 -0.897 0.872) 1.262 15.763 ( 0.261 -0.759 -2.453) 2.581 22.711 ( 0.079 0.121 -0.227) 0.269 22.734 ( 0.119 0.185 -0.993) 1.017 31.067 ( 2.238 -1.526 -3.744) 4.621 31.109 ( -1.906 5.549 -2.896) 6.543 31.310 ( 7.652 6.243 2.215) 10.121 31.444 ( 11.121 7.869 -0.820) 13.648 32.845 ( -3.953 -0.799 23.361) 23.707 34.192 ( -6.038 -5.197 -17.172) 18.930 ======================= Grid point 264 (85/144) ======================= q-point: (-0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -0.523 0.750 0.586) 1.086 1.890 ( 3.967 1.444 3.583) 5.537 2.151 ( -4.570 2.169 3.146) 5.957 2.243 ( -11.766 8.082 2.169) 14.438 2.475 ( -2.522 -1.042 4.592) 5.341 2.666 ( -2.370 -1.630 2.646) 3.908 2.761 ( -4.708 -2.469 -0.750) 5.369 2.870 ( -2.524 -2.024 2.342) 3.994 3.049 ( -0.650 -1.305 14.299) 14.374 3.308 ( -3.961 4.561 5.010) 7.848 3.539 ( -4.206 2.858 9.461) 10.741 3.660 ( -5.822 6.885 5.736) 10.686 4.208 ( 10.061 1.007 0.435) 10.121 4.234 ( 10.545 0.460 0.676) 10.576 4.830 ( -2.626 -1.278 -1.467) 3.269 5.284 ( -6.560 0.203 -15.683) 17.001 5.904 ( -0.243 -1.702 -3.548) 3.943 6.259 ( 1.842 -9.451 -5.598) 11.138 9.714 ( -0.889 0.943 2.338) 2.673 9.864 ( -0.426 2.242 -1.614) 2.795 10.541 ( -0.276 1.420 2.120) 2.567 10.721 ( -0.290 1.527 -2.633) 3.057 14.749 ( 1.384 -1.099 -0.598) 1.865 14.792 ( 1.928 -2.247 -1.287) 3.229 14.944 ( -1.159 1.137 2.298) 2.814 15.022 ( -0.222 -2.792 0.945) 2.956 15.663 ( 0.395 -1.176 0.881) 1.522 15.780 ( 0.713 -0.586 -2.438) 2.607 22.707 ( -0.001 0.358 -0.154) 0.389 22.736 ( 0.157 -0.156 -0.915) 0.941 30.955 ( -1.904 7.087 1.370) 7.465 31.139 ( 2.314 -0.515 -2.341) 3.332 31.323 ( 5.489 4.931 -0.539) 7.398 31.506 ( 11.283 4.993 -3.039) 12.707 32.777 ( -5.863 0.295 23.766) 24.480 34.168 ( -6.519 -3.033 -18.370) 19.727 ======================= Grid point 265 (86/144) ======================= q-point: (-0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -12.997 12.433 4.328) 18.499 1.890 ( -2.293 6.324 5.673) 8.799 1.958 ( -11.325 9.935 -0.924) 15.093 2.194 ( 5.599 -2.142 -0.156) 5.997 2.480 ( 0.141 -3.414 3.862) 5.157 2.650 ( -1.286 3.434 5.086) 6.270 2.732 ( -3.385 -3.942 -1.061) 5.303 2.862 ( -4.828 -2.918 7.230) 9.170 3.016 ( -3.607 2.646 3.372) 5.602 3.139 ( -3.926 6.663 11.979) 14.258 3.428 ( -5.909 5.961 8.673) 12.069 3.531 ( 1.620 2.231 6.272) 6.851 4.337 ( 9.855 -0.009 -0.144) 9.856 4.380 ( 9.990 -0.444 0.542) 10.015 4.785 ( -4.607 0.838 -1.171) 4.827 5.179 ( -6.578 2.166 -15.135) 16.644 5.926 ( 0.078 -1.368 -4.507) 4.711 6.438 ( 2.638 -10.242 -7.133) 12.757 9.685 ( -1.142 1.078 2.001) 2.543 9.817 ( -1.035 2.695 -1.496) 3.252 10.515 ( -0.536 1.215 1.981) 2.385 10.693 ( -0.652 1.333 -2.578) 2.974 14.789 ( 2.331 -0.622 0.841) 2.555 14.856 ( 2.029 -2.401 -0.430) 3.172 14.914 ( -0.981 0.383 1.726) 2.022 15.056 ( -0.559 -2.355 0.019) 2.420 15.693 ( 0.989 -1.677 0.810) 2.109 15.798 ( 0.950 -0.303 -2.386) 2.586 22.702 ( -0.001 0.393 0.098) 0.405 22.741 ( 0.105 -0.226 -0.842) 0.878 30.856 ( -0.830 3.265 6.277) 7.124 31.164 ( 3.274 2.517 1.446) 4.375 31.297 ( 1.888 4.729 -3.338) 6.088 31.555 ( 6.222 5.441 -5.307) 9.823 32.711 ( -4.307 -1.501 22.406) 22.866 34.108 ( -5.840 0.065 -20.455) 21.272 ======================= Grid point 266 (87/144) ======================= q-point: (-0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -12.782 15.349 6.266) 20.934 1.646 ( -9.674 13.116 -4.191) 16.828 1.669 ( -4.855 15.204 10.506) 19.108 2.161 ( 0.384 12.962 4.620) 13.766 2.542 ( 0.689 -0.990 3.813) 3.999 2.638 ( 1.193 -5.050 1.965) 5.549 2.780 ( -1.549 -3.337 9.881) 10.544 2.819 ( -0.360 0.424 2.179) 2.249 2.950 ( -1.210 1.057 2.155) 2.688 3.021 ( -4.434 0.874 0.841) 4.597 3.324 ( -0.949 2.012 16.046) 16.200 3.546 ( 1.588 -0.095 4.312) 4.596 4.453 ( 7.219 0.319 0.102) 7.227 4.492 ( 6.838 0.773 -0.204) 6.884 4.690 ( -5.611 2.292 -1.183) 6.176 5.045 ( -5.283 5.074 -13.679) 15.517 5.946 ( 0.167 -1.060 -4.729) 4.850 6.614 ( 2.398 -8.447 -10.756) 13.886 9.655 ( -0.901 0.991 1.554) 2.052 9.762 ( -1.006 2.784 -1.303) 3.235 10.494 ( -0.434 0.579 1.982) 2.110 10.668 ( -0.548 0.880 -2.368) 2.585 14.812 ( 1.831 1.816 3.662) 4.479 14.890 ( -0.492 -1.783 1.088) 2.146 14.937 ( 1.250 -2.357 -1.143) 2.902 15.075 ( -0.533 -1.160 -1.263) 1.796 15.738 ( 1.246 -2.308 0.684) 2.710 15.812 ( 0.792 0.095 -2.003) 2.156 22.696 ( 0.002 0.360 0.394) 0.533 22.744 ( 0.023 -0.125 -0.816) 0.826 30.855 ( 0.875 -3.775 10.275) 10.981 31.118 ( 0.853 7.695 4.637) 9.024 31.280 ( 1.792 -0.081 -3.984) 4.369 31.492 ( -1.063 7.645 -4.950) 9.170 32.721 ( -0.746 -4.118 17.890) 18.373 34.007 ( -3.577 5.462 -22.512) 23.440 ======================= Grid point 267 (88/144) ======================= q-point: (-0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.000 17.121 8.058) 18.923 1.362 ( 0.000 14.020 -6.590) 15.491 1.367 ( 0.000 19.399 15.198) 24.644 1.950 ( 0.000 13.036 14.161) 19.247 2.543 ( -0.000 -0.104 3.926) 3.928 2.680 ( 0.000 8.474 7.167) 11.098 2.740 ( -0.000 -5.056 -0.193) 5.060 2.912 ( -0.000 -4.117 0.786) 4.191 2.964 ( -0.000 -5.388 6.989) 8.825 3.008 ( -0.000 -1.797 -2.781) 3.311 3.308 ( -0.000 -0.343 14.254) 14.258 3.556 ( 0.000 0.612 4.006) 4.052 4.496 ( 0.000 0.712 0.371) 0.803 4.527 ( 0.000 1.669 -0.473) 1.735 4.605 ( 0.000 1.984 -1.520) 2.500 4.902 ( 0.000 8.805 -9.346) 12.840 5.961 ( -0.000 -0.755 -4.940) 4.997 6.730 ( -0.000 -4.417 -15.295) 15.920 9.635 ( 0.000 0.679 1.138) 1.325 9.716 ( 0.000 2.286 -1.022) 2.504 10.489 ( -0.000 -0.376 2.234) 2.265 10.654 ( 0.000 0.413 -2.050) 2.091 14.793 ( 0.000 1.870 4.385) 4.767 14.916 ( -0.000 -1.785 0.688) 1.913 14.978 ( -0.000 -1.789 -0.979) 2.039 15.076 ( 0.000 0.555 -2.793) 2.848 15.784 ( -0.000 -2.141 0.427) 2.183 15.814 ( 0.000 0.317 -1.048) 1.095 22.691 ( 0.000 0.317 0.585) 0.665 22.745 ( -0.000 -0.016 -0.841) 0.841 31.003 ( -0.000 -14.102 10.955) 17.858 31.006 ( 0.000 6.650 4.328) 7.934 31.333 ( 0.000 8.580 -4.479) 9.678 31.333 ( -0.000 -3.318 -0.325) 3.334 32.785 ( -0.000 -4.111 13.223) 13.847 33.841 ( 0.000 14.004 -22.161) 26.215 ======================= Grid point 270 (89/144) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 12.867 -0.000 9.341) 15.900 1.753 ( 3.768 -0.000 14.069) 14.564 2.285 ( 21.772 -0.000 1.727) 21.840 2.326 ( 31.389 -0.000 0.504) 31.393 2.509 ( -9.023 0.000 1.261) 9.111 2.618 ( 5.381 -0.000 0.026) 5.381 2.696 ( -4.551 0.000 5.858) 7.418 2.820 ( -2.858 0.000 5.506) 6.204 2.977 ( 0.606 -0.000 2.145) 2.229 3.107 ( -2.290 0.000 -3.115) 3.866 3.374 ( 2.681 -0.000 13.368) 13.635 3.375 ( -2.622 0.000 6.336) 6.858 4.321 ( -6.920 0.000 3.267) 7.652 4.565 ( 1.703 -0.000 -7.131) 7.332 4.712 ( 1.315 -0.000 2.383) 2.721 4.811 ( -0.812 0.000 -9.904) 9.937 5.909 ( -2.046 0.000 -8.174) 8.427 6.251 ( -14.596 0.000 -4.602) 15.304 9.723 ( 1.655 -0.000 2.501) 2.999 9.820 ( 4.155 -0.000 -0.816) 4.235 10.574 ( 2.040 -0.000 2.321) 3.090 10.727 ( 2.559 -0.000 -1.883) 3.178 14.710 ( -0.443 0.000 3.326) 3.356 14.877 ( -4.029 0.000 -0.908) 4.130 14.890 ( -2.700 0.000 -0.316) 2.718 15.039 ( -0.199 0.000 -4.011) 4.016 15.673 ( -2.810 0.000 -0.058) 2.811 15.712 ( -0.955 0.000 -2.498) 2.674 22.697 ( 0.356 -0.000 0.646) 0.738 22.754 ( 0.254 -0.000 -0.866) 0.902 30.709 ( -0.278 0.000 9.725) 9.729 31.224 ( 8.213 -0.000 -4.982) 9.606 31.790 ( 10.908 -0.000 6.919) 12.918 31.850 ( 10.093 -0.000 0.501) 10.106 32.642 ( -6.066 0.000 11.203) 12.740 33.635 ( -0.532 0.000 -19.846) 19.853 ======================= Grid point 271 (90/144) ======================= q-point: ( 0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 10.360 -5.347 6.745) 13.469 1.817 ( 0.737 -3.927 11.526) 12.199 2.339 ( -6.159 5.930 2.329) 8.861 2.459 ( 12.424 5.967 0.921) 13.813 2.562 ( -5.561 3.180 5.302) 8.316 2.652 ( 10.206 -0.731 0.979) 10.279 2.829 ( 10.144 -8.042 2.794) 13.243 2.875 ( -1.759 -9.736 3.308) 10.432 2.977 ( 1.024 0.305 0.369) 1.131 3.075 ( -1.424 -0.766 -2.100) 2.650 3.327 ( -1.296 2.285 10.874) 11.187 3.472 ( 6.254 -4.049 11.522) 13.721 4.198 ( -4.972 3.460 2.703) 6.633 4.491 ( -0.323 12.534 -4.220) 13.229 4.668 ( -0.244 -2.824 -0.480) 2.875 4.960 ( -1.944 -13.371 -8.652) 16.045 5.883 ( -2.006 -0.093 -8.974) 9.196 6.092 ( -12.601 -3.114 -3.524) 13.450 9.741 ( 1.342 0.201 3.017) 3.308 9.875 ( 3.890 0.031 -1.126) 4.050 10.595 ( 2.148 0.895 2.397) 3.341 10.760 ( 2.664 0.387 -2.103) 3.416 14.711 ( -0.179 -0.537 2.516) 2.579 14.818 ( -3.897 0.536 -0.771) 4.009 14.857 ( -3.037 -0.835 0.046) 3.150 15.039 ( -0.358 -0.313 -3.800) 3.829 15.639 ( -2.095 -0.044 0.100) 2.098 15.711 ( -0.486 -0.823 -3.103) 3.247 22.702 ( 0.347 -0.020 0.548) 0.648 22.755 ( 0.214 0.219 -0.862) 0.915 30.739 ( 2.618 -1.692 8.975) 9.501 31.314 ( 6.687 1.583 -7.420) 10.114 31.794 ( 10.773 14.498 3.902) 18.479 31.979 ( 11.434 6.999 1.919) 13.543 32.592 ( -4.199 -4.407 14.662) 15.875 33.710 ( -3.844 -12.218 -18.946) 22.870 ======================= Grid point 272 (91/144) ======================= q-point: ( 0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 3.395 -2.405 9.640) 10.500 1.851 ( -4.390 -3.141 1.299) 5.552 2.205 ( -0.858 4.121 4.447) 6.123 2.455 ( -1.798 -2.282 4.334) 5.218 2.561 ( 3.693 0.695 3.196) 4.933 2.726 ( 0.772 -1.621 2.800) 3.326 2.877 ( -2.773 1.330 0.395) 3.101 2.908 ( -7.402 -1.586 1.863) 7.795 3.068 ( 3.238 -4.504 1.444) 5.732 3.163 ( 2.620 -2.802 0.894) 3.939 3.306 ( 2.924 -1.229 13.857) 14.215 3.603 ( 1.616 -4.915 9.562) 10.872 4.157 ( 5.114 1.193 0.988) 5.343 4.322 ( 2.125 9.699 -0.728) 9.955 4.713 ( -1.717 -3.803 -0.771) 4.243 5.101 ( -3.999 -10.996 -9.931) 15.347 5.857 ( -2.412 -0.396 -7.569) 7.954 6.004 ( -8.748 -4.223 -4.952) 10.904 9.752 ( 0.968 0.379 3.202) 3.367 9.918 ( 3.130 0.607 -1.519) 3.532 10.606 ( 1.996 1.368 2.445) 3.441 10.784 ( 2.380 1.014 -2.373) 3.510 14.714 ( -0.453 -0.342 0.811) 0.990 14.763 ( -3.186 0.407 -0.844) 3.321 14.842 ( -2.302 -2.184 1.424) 3.477 15.036 ( -0.530 0.038 -2.951) 2.998 15.620 ( -1.433 -0.556 0.467) 1.607 15.720 ( -0.312 -1.030 -3.141) 3.321 22.707 ( 0.305 -0.031 0.318) 0.442 22.753 ( 0.153 0.447 -0.886) 1.004 30.821 ( 4.068 -3.241 6.890) 8.633 31.350 ( 4.260 3.570 -8.370) 10.047 31.715 ( 11.823 15.710 2.899) 19.874 31.920 ( 8.788 16.779 -0.064) 18.941 32.668 ( -0.745 -8.347 18.089) 19.936 33.842 ( -6.539 -13.999 -17.145) 23.079 ======================= Grid point 273 (92/144) ======================= q-point: ( 0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -3.243 1.254 5.904) 6.852 1.856 ( 1.104 -0.716 1.960) 2.361 2.187 ( -3.554 -3.852 4.951) 7.210 2.492 ( -6.734 -4.665 1.289) 8.293 2.552 ( -5.252 -2.005 3.480) 6.612 2.693 ( -6.839 1.339 1.110) 7.057 2.822 ( -0.719 3.546 2.605) 4.458 2.849 ( 2.053 1.095 1.348) 2.689 3.102 ( 0.906 3.059 15.319) 15.648 3.200 ( -1.135 -5.068 -1.553) 5.421 3.419 ( 0.936 -7.245 9.162) 11.718 3.670 ( -0.453 -4.416 7.507) 8.722 4.246 ( 9.461 3.158 1.073) 10.032 4.282 ( 6.745 4.120 0.360) 7.912 4.732 ( -2.592 -3.134 -0.918) 4.169 5.177 ( -6.607 -8.847 -11.105) 15.661 5.834 ( -2.640 -1.275 -4.453) 5.331 5.981 ( -4.453 -4.442 -7.515) 9.799 9.754 ( 0.466 0.671 3.165) 3.268 9.938 ( 2.150 1.418 -1.869) 3.182 10.607 ( 1.487 1.724 2.403) 3.310 10.791 ( 1.771 1.704 -2.594) 3.574 14.712 ( -0.645 -0.457 -0.627) 1.009 14.728 ( -1.617 -0.289 -0.768) 1.813 14.859 ( -1.460 -3.369 2.509) 4.447 15.024 ( -0.559 0.638 -1.804) 1.993 15.616 ( -0.962 -1.018 0.813) 1.619 15.733 ( -0.123 -1.143 -2.886) 3.106 22.711 ( 0.233 -0.029 0.066) 0.244 22.747 ( 0.125 0.569 -0.931) 1.098 30.934 ( 4.195 -4.330 3.328) 6.886 31.315 ( 1.040 6.081 -7.744) 9.901 31.646 ( 10.898 14.817 3.024) 18.640 31.805 ( 12.759 15.869 -0.007) 20.362 32.759 ( -1.836 -5.263 18.711) 19.524 33.933 ( -8.615 -11.990 -15.837) 21.651 ======================= Grid point 274 (93/144) ======================= q-point: (-0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 2.286 -1.669 4.916) 5.672 1.901 ( 3.032 -1.626 0.601) 3.493 2.172 ( -9.914 -4.363 3.665) 11.435 2.341 ( -16.077 0.743 1.634) 16.177 2.469 ( -9.555 -1.815 2.899) 10.149 2.633 ( -5.244 -2.261 0.083) 5.711 2.753 ( 1.615 5.292 6.834) 8.793 2.884 ( 4.976 2.023 0.649) 5.411 3.074 ( 2.119 3.728 15.303) 15.892 3.261 ( -1.340 -5.043 -1.891) 5.550 3.510 ( -2.638 -5.872 12.389) 13.962 3.728 ( 0.466 -2.082 6.266) 6.619 4.293 ( 8.184 4.673 1.138) 9.493 4.330 ( 7.930 3.982 0.469) 8.886 4.748 ( -2.400 -3.444 -1.738) 4.544 5.187 ( -8.898 -6.697 -12.347) 16.628 5.834 ( -1.500 -2.573 -3.170) 4.349 6.016 ( -1.916 -6.099 -7.866) 10.136 9.744 ( -0.057 1.050 2.994) 3.174 9.933 ( 1.141 2.261 -2.081) 3.277 10.594 ( 0.789 2.065 2.269) 3.168 10.780 ( 1.001 2.288 -2.756) 3.719 14.713 ( -0.437 -1.192 -0.589) 1.400 14.736 ( 0.599 -1.482 -1.003) 1.887 14.895 ( -1.310 -3.672 2.591) 4.681 15.004 ( -0.453 1.003 -0.542) 1.227 15.624 ( -0.576 -1.383 1.034) 1.820 15.750 ( 0.112 -1.255 -2.641) 2.926 22.713 ( 0.144 0.043 -0.097) 0.179 22.741 ( 0.140 0.486 -0.957) 1.082 31.049 ( 3.124 -4.283 -1.254) 5.448 31.202 ( -1.243 8.546 -4.835) 9.897 31.578 ( 10.104 12.647 4.330) 16.756 31.801 ( 17.200 13.050 -1.150) 21.621 32.762 ( -5.205 -1.563 19.369) 20.117 33.970 ( -9.741 -9.917 -15.645) 20.928 ======================= Grid point 275 (94/144) ======================= q-point: (-0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -1.799 0.970 1.033) 2.290 1.943 ( -1.284 -1.211 -0.476) 1.828 2.053 ( -7.737 -1.339 4.026) 8.824 2.176 ( -4.522 -0.280 4.482) 6.373 2.396 ( -7.256 -2.357 4.687) 8.954 2.580 ( -7.252 -4.343 -0.781) 8.489 2.737 ( 3.936 3.015 7.377) 8.889 2.895 ( 2.712 4.091 1.201) 5.053 3.036 ( -0.682 2.547 9.646) 10.000 3.293 ( -2.083 -1.198 -0.852) 2.549 3.503 ( -4.179 0.613 15.639) 16.199 3.696 ( -1.998 4.961 8.760) 10.263 4.362 ( 9.231 1.601 -0.746) 9.399 4.400 ( 10.227 2.121 0.509) 10.457 4.753 ( -3.883 -2.404 -1.865) 4.933 5.146 ( -9.354 -4.573 -13.712) 17.218 5.863 ( -0.656 -2.926 -4.180) 5.144 6.114 ( -0.806 -9.669 -6.311) 11.574 9.723 ( -0.421 1.399 2.721) 3.088 9.903 ( 0.291 2.981 -2.115) 3.667 10.568 ( 0.198 2.243 2.054) 3.048 10.753 ( 0.314 2.571 -2.863) 3.861 14.740 ( 0.749 -2.118 -0.095) 2.249 14.781 ( 1.601 -2.467 -1.032) 3.117 14.922 ( -1.583 -2.006 2.330) 3.458 14.990 ( -0.326 -0.278 0.573) 0.716 15.642 ( -0.206 -1.736 1.096) 2.064 15.772 ( 0.303 -1.298 -2.517) 2.848 22.713 ( 0.069 0.265 -0.140) 0.308 22.738 ( 0.150 0.154 -0.906) 0.932 31.051 ( -1.378 8.893 -0.871) 9.041 31.138 ( 1.923 -3.206 -4.916) 6.176 31.534 ( 8.146 10.909 4.624) 14.378 31.846 ( 16.862 12.619 -2.868) 21.256 32.682 ( -7.773 -0.323 21.036) 22.428 33.977 ( -8.911 -8.191 -16.629) 20.567 ======================= Grid point 276 (95/144) ======================= q-point: (-0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -8.689 11.108 2.809) 14.380 1.876 ( -8.183 1.632 -5.152) 9.807 2.037 ( 2.410 7.275 9.617) 12.298 2.228 ( 5.897 -3.553 2.602) 7.359 2.384 ( -2.902 -7.643 3.526) 8.903 2.588 ( -5.727 -7.084 -1.833) 9.292 2.740 ( 4.713 4.949 5.330) 8.667 2.837 ( -0.991 4.340 7.517) 8.736 2.987 ( -2.854 0.752 1.100) 3.149 3.204 ( -3.248 7.842 6.397) 10.629 3.426 ( -2.742 2.497 12.649) 13.181 3.590 ( -0.502 4.815 10.696) 11.740 4.474 ( 9.175 0.613 -0.741) 9.225 4.518 ( 9.047 0.857 0.236) 9.091 4.707 ( -6.474 -0.748 -1.491) 6.686 5.086 ( -6.873 -2.438 -15.247) 16.901 5.896 ( -0.245 -2.387 -5.071) 5.610 6.274 ( -0.157 -12.670 -5.817) 13.943 9.694 ( -0.442 1.575 2.349) 2.862 9.856 ( -0.180 3.429 -1.982) 3.965 10.536 ( -0.073 2.085 1.810) 2.762 10.716 ( -0.069 2.404 -2.867) 3.742 14.791 ( 1.303 -2.652 0.446) 2.988 14.844 ( 1.783 -2.787 -0.688) 3.379 14.906 ( -1.519 0.781 2.514) 3.039 15.008 ( -0.562 -2.517 0.732) 2.681 15.670 ( 0.107 -2.194 1.019) 2.421 15.795 ( 0.324 -1.157 -2.460) 2.738 22.708 ( 0.036 0.422 -0.037) 0.425 22.739 ( 0.089 -0.117 -0.824) 0.837 30.919 ( -0.703 6.776 3.113) 7.490 31.201 ( 1.509 -2.438 -6.392) 7.006 31.445 ( 2.991 11.589 4.587) 12.818 31.838 ( 10.108 14.304 -5.328) 18.307 32.608 ( -5.372 -2.976 22.678) 23.495 33.984 ( -5.279 -5.800 -18.467) 20.063 ======================= Grid point 277 (96/144) ======================= q-point: (-0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 15.346 4.944) 16.123 1.741 ( 0.000 8.614 -6.450) 10.761 1.873 ( 0.000 14.302 12.243) 18.827 2.304 ( 0.000 2.901 -1.724) 3.374 2.503 ( -0.000 -8.106 2.369) 8.445 2.595 ( 0.000 0.275 0.870) 0.912 2.755 ( -0.000 -3.947 2.418) 4.629 2.761 ( 0.000 3.184 15.223) 15.552 2.964 ( -0.000 -0.720 -3.023) 3.107 3.050 ( 0.000 8.323 7.039) 10.900 3.359 ( 0.000 3.645 15.636) 16.055 3.555 ( 0.000 0.557 6.803) 6.826 4.532 ( 0.000 1.669 0.621) 1.781 4.588 ( 0.000 2.406 -0.900) 2.569 4.634 ( -0.000 -0.987 -1.104) 1.481 5.049 ( 0.000 0.969 -15.550) 15.580 5.926 ( -0.000 -1.751 -4.997) 5.295 6.466 ( -0.000 -12.586 -7.678) 14.744 9.668 ( 0.000 1.464 1.916) 2.411 9.802 ( 0.000 3.423 -1.701) 3.823 10.508 ( 0.000 1.542 1.709) 2.302 10.684 ( 0.000 1.766 -2.691) 3.219 14.845 ( -0.000 -2.904 0.627) 2.971 14.864 ( 0.000 2.413 3.848) 4.542 14.906 ( -0.000 -2.977 -1.008) 3.143 15.041 ( -0.000 -2.478 -0.004) 2.478 15.707 ( -0.000 -2.620 0.860) 2.757 15.812 ( -0.000 -0.708 -2.331) 2.436 22.702 ( 0.000 0.425 0.184) 0.463 22.742 ( -0.000 -0.166 -0.792) 0.810 30.845 ( 0.000 2.287 6.967) 7.333 31.253 ( -0.000 -2.736 -6.366) 6.929 31.282 ( 0.000 11.706 5.197) 12.808 31.683 ( 0.000 14.631 -5.597) 15.665 32.639 ( -0.000 -5.186 20.891) 21.525 34.005 ( -0.000 -1.500 -20.659) 20.714 ======================= Grid point 282 (97/144) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 6.090 -0.000 1.860) 6.368 1.797 ( -0.016 0.000 10.571) 10.571 2.269 ( -6.774 0.000 6.191) 9.177 2.528 ( -6.832 0.000 5.934) 9.049 2.570 ( -3.025 0.000 3.970) 4.991 2.713 ( -3.664 0.000 4.705) 5.963 2.716 ( -1.160 0.000 -2.239) 2.522 2.919 ( 3.469 -0.000 -3.443) 4.887 2.996 ( 2.791 -0.000 3.340) 4.353 3.117 ( 9.521 -0.000 -0.456) 9.532 3.372 ( 4.885 -0.000 9.072) 10.304 3.497 ( 1.552 -0.000 14.664) 14.746 4.179 ( 0.237 -0.000 2.941) 2.951 4.603 ( 0.867 -0.000 -9.287) 9.328 4.700 ( -5.677 0.000 -4.400) 7.182 4.741 ( 0.753 -0.000 2.312) 2.432 5.859 ( -1.551 0.000 -11.047) 11.156 5.923 ( -8.960 0.000 -3.405) 9.586 9.758 ( 1.096 -0.000 3.476) 3.645 9.927 ( 3.702 -0.000 -1.522) 4.003 10.630 ( 2.069 -0.000 2.395) 3.165 10.800 ( 2.787 -0.000 -2.235) 3.572 14.707 ( 0.042 -0.000 2.326) 2.327 14.766 ( -4.147 0.000 -0.390) 4.165 14.810 ( -2.921 0.000 0.366) 2.944 15.036 ( -0.020 0.000 -4.404) 4.404 15.612 ( -1.807 0.000 0.273) 1.828 15.702 ( -0.062 0.000 -3.467) 3.468 22.706 ( 0.325 -0.000 0.596) 0.679 22.760 ( 0.205 -0.000 -0.841) 0.865 30.773 ( 4.187 -0.000 9.186) 10.096 31.405 ( 5.067 -0.000 -9.979) 11.192 32.120 ( 13.605 -0.000 5.590) 14.708 32.150 ( 11.473 -0.000 5.666) 12.796 32.495 ( -4.378 0.000 10.563) 11.435 33.546 ( -5.698 0.000 -18.286) 19.153 ======================= Grid point 283 (98/144) ======================= q-point: ( 0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -3.244 -3.106 -0.604) 4.532 1.788 ( 0.007 -0.132 7.547) 7.548 2.210 ( -3.727 0.412 5.795) 6.903 2.374 ( -7.126 2.645 5.747) 9.529 2.516 ( -8.564 -2.225 4.418) 9.890 2.628 ( -11.517 -2.298 -0.648) 11.762 2.715 ( -6.135 -6.662 4.596) 10.156 2.957 ( 5.261 1.325 -0.677) 5.468 3.062 ( 3.996 -1.838 4.591) 6.358 3.204 ( 3.082 1.181 4.736) 5.772 3.395 ( 2.837 4.770 8.553) 10.196 3.540 ( 0.555 -4.303 9.141) 10.119 4.247 ( 8.526 -0.803 1.965) 8.786 4.493 ( 1.291 9.153 -2.815) 9.663 4.663 ( 0.225 -1.374 -1.872) 2.333 4.868 ( -3.952 -11.200 -3.203) 12.301 5.819 ( -3.614 0.349 -6.933) 7.826 5.869 ( -3.252 -2.832 -9.217) 10.175 9.769 ( 0.844 0.298 3.660) 3.768 9.968 ( 3.019 0.560 -1.965) 3.645 10.649 ( 1.869 0.913 2.437) 3.204 10.830 ( 2.512 0.757 -2.472) 3.605 14.704 ( -0.995 0.029 0.794) 1.274 14.718 ( -2.995 -0.463 -0.097) 3.032 14.786 ( -1.947 -1.335 1.721) 2.921 15.035 ( 0.029 0.193 -4.133) 4.138 15.594 ( -1.377 -0.431 0.633) 1.576 15.706 ( -0.074 -0.536 -3.448) 3.490 22.711 ( 0.276 -0.001 0.493) 0.565 22.760 ( 0.160 0.268 -0.844) 0.900 30.845 ( 4.656 -1.588 8.439) 9.768 31.443 ( 3.037 2.321 -9.958) 10.666 32.099 ( 10.451 14.825 6.045) 19.119 32.279 ( 10.652 11.817 2.016) 16.036 32.531 ( 0.769 -9.269 11.879) 15.087 33.551 ( -7.768 -11.084 -16.274) 21.167 ======================= Grid point 284 (99/144) ======================= q-point: ( 0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -4.416 -1.525 3.260) 5.697 1.835 ( 0.829 -3.672 1.207) 3.953 2.088 ( -9.351 1.828 5.085) 10.800 2.289 ( -11.957 -3.098 0.772) 12.376 2.397 ( -13.106 -1.226 5.820) 14.392 2.513 ( -10.749 -5.808 1.171) 12.274 2.781 ( -0.173 -6.287 6.276) 8.885 3.012 ( 7.524 3.753 1.320) 8.511 3.130 ( 1.282 -1.714 3.679) 4.256 3.183 ( 0.992 2.192 16.260) 16.437 3.390 ( 2.090 -0.002 1.883) 2.813 3.597 ( -0.363 -4.179 5.726) 7.099 4.382 ( 8.762 -0.317 1.810) 8.952 4.440 ( 5.197 5.186 -0.114) 7.343 4.681 ( 0.135 -0.851 -1.543) 1.767 4.944 ( -6.869 -8.837 -4.875) 12.208 5.782 ( -2.494 -0.915 -5.748) 6.332 5.882 ( -1.754 -3.306 -10.819) 11.448 9.771 ( 0.499 0.705 3.634) 3.736 9.988 ( 2.112 1.398 -2.333) 3.443 10.652 ( 1.432 1.685 2.433) 3.287 10.842 ( 1.900 1.677 -2.710) 3.710 14.682 ( -2.221 -0.880 -0.083) 2.391 14.705 ( -0.735 -0.647 -0.493) 1.096 14.797 ( -1.006 -2.593 2.953) 4.056 15.029 ( -0.045 0.630 -3.314) 3.373 15.588 ( -1.004 -0.945 0.991) 1.698 15.716 ( -0.085 -0.948 -3.188) 3.327 22.714 ( 0.204 0.007 0.296) 0.360 22.757 ( 0.127 0.482 -0.876) 1.008 30.938 ( 4.123 -2.856 6.168) 7.950 31.414 ( 0.930 5.295 -8.141) 9.756 32.004 ( 8.249 14.725 5.309) 17.693 32.221 ( 13.623 14.564 0.778) 19.958 32.666 ( 0.827 -5.228 11.499) 12.659 33.617 ( -9.986 -13.062 -14.143) 21.688 ======================= Grid point 285 (100/144) ======================= q-point: (-0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -0.450 -4.854 3.260) 5.864 1.884 ( -2.762 -1.513 -1.816) 3.635 1.977 ( -7.551 -4.569 4.405) 9.864 2.120 ( -13.465 -1.405 0.773) 13.560 2.272 ( -10.985 -4.387 7.495) 14.003 2.480 ( -8.101 -4.747 2.027) 9.606 2.833 ( 1.286 0.992 7.783) 7.951 3.030 ( 5.696 5.401 1.072) 7.922 3.168 ( 1.265 -3.131 8.094) 8.770 3.204 ( 3.455 2.258 8.461) 9.414 3.410 ( -1.605 -2.328 7.733) 8.234 3.689 ( 1.688 -6.001 3.769) 7.285 4.435 ( 3.491 2.972 -0.870) 4.666 4.477 ( 7.626 2.309 1.988) 8.212 4.696 ( 0.314 -0.630 -1.472) 1.632 4.951 ( -9.294 -7.098 -6.082) 13.181 5.780 ( -1.243 -2.109 -5.172) 5.722 5.918 ( -1.135 -4.268 -10.586) 11.471 9.762 ( 0.139 1.162 3.464) 3.656 9.983 ( 1.179 2.294 -2.538) 3.619 10.638 ( 0.822 2.302 2.339) 3.383 10.831 ( 1.117 2.509 -2.898) 3.993 14.680 ( -1.015 -1.846 0.101) 2.109 14.718 ( 0.210 -1.703 -0.879) 1.928 14.828 ( -0.886 -3.149 3.082) 4.494 15.015 ( -0.134 1.058 -2.184) 2.431 15.594 ( -0.644 -1.397 1.238) 1.975 15.732 ( -0.014 -1.296 -2.896) 3.173 22.716 ( 0.123 0.021 0.100) 0.160 22.750 ( 0.111 0.565 -0.914) 1.080 31.031 ( 2.730 -3.452 2.270) 4.952 31.316 ( -0.412 8.126 -5.423) 9.778 31.902 ( 8.026 13.319 5.764) 16.584 32.227 ( 16.211 12.389 0.207) 20.404 32.686 ( -3.318 0.316 11.392) 11.869 33.664 ( -10.625 -12.343 -13.364) 21.067 ======================= Grid point 286 (101/144) ======================= q-point: (-0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -4.456 -2.680 -0.769) 5.256 1.805 ( -8.676 -1.429 -1.625) 8.941 1.984 ( 2.507 -4.842 6.972) 8.850 2.120 ( 0.049 -6.102 4.253) 7.438 2.240 ( -4.425 -6.253 4.448) 8.858 2.416 ( -8.563 -1.773 2.234) 9.026 2.822 ( 1.781 1.962 11.638) 11.936 3.011 ( 2.996 5.119 1.067) 6.027 3.150 ( 2.502 10.281 1.706) 10.718 3.231 ( -0.863 -3.894 -2.070) 4.494 3.438 ( -2.156 -4.150 21.374) 21.880 3.744 ( 0.350 2.035 6.096) 6.437 4.464 ( 3.946 -0.840 -2.480) 4.736 4.551 ( 8.102 1.514 0.925) 8.294 4.695 ( -0.956 0.476 -1.732) 2.035 4.921 ( -9.853 -7.041 -8.270) 14.664 5.808 ( -0.490 -3.160 -4.906) 5.856 5.983 ( -0.650 -6.397 -9.046) 11.098 9.742 ( -0.078 1.546 3.177) 3.534 9.954 ( 0.406 3.057 -2.543) 3.997 10.608 ( 0.275 2.638 2.156) 3.418 10.800 ( 0.408 3.010 -3.020) 4.283 14.708 ( -0.033 -2.740 0.377) 2.766 14.759 ( 0.804 -2.743 -0.980) 3.022 14.863 ( -0.898 -3.073 2.855) 4.289 14.996 ( -0.140 1.154 -0.900) 1.470 15.612 ( -0.282 -1.757 1.317) 2.214 15.753 ( 0.056 -1.525 -2.679) 3.083 22.716 ( 0.053 0.093 -0.034) 0.112 22.744 ( 0.079 0.451 -0.915) 1.023 31.107 ( 1.081 -3.248 -2.068) 3.999 31.177 ( -0.467 9.355 -2.773) 9.768 31.812 ( 5.817 12.527 6.370) 15.210 32.259 ( 14.895 12.769 -1.847) 19.706 32.583 ( -8.046 2.026 14.840) 17.002 33.718 ( -6.985 -11.541 -14.181) 19.572 ======================= Grid point 287 (102/144) ======================= q-point: (-0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 6.701 1.033) 6.780 1.802 ( -0.000 -3.165 -3.002) 4.362 2.118 ( -0.000 -2.165 8.400) 8.674 2.204 ( -0.000 -10.764 4.060) 11.504 2.277 ( 0.000 4.491 5.834) 7.362 2.402 ( -0.000 -10.386 -1.419) 10.483 2.828 ( 0.000 0.023 12.304) 12.304 2.939 ( 0.000 9.112 0.701) 9.138 3.013 ( 0.000 6.623 -1.088) 6.711 3.252 ( 0.000 0.782 -2.893) 2.997 3.442 ( 0.000 1.555 21.789) 21.844 3.668 ( 0.000 6.324 10.532) 12.284 4.547 ( -0.000 -4.067 -2.350) 4.697 4.587 ( 0.000 1.941 0.777) 2.091 4.663 ( 0.000 2.561 -1.300) 2.872 4.952 ( -0.000 -7.331 -13.158) 15.062 5.853 ( -0.000 -3.160 -5.201) 6.085 6.099 ( -0.000 -10.150 -6.629) 12.123 9.716 ( 0.000 1.720 2.789) 3.276 9.907 ( 0.000 3.502 -2.350) 4.218 10.571 ( 0.000 2.565 1.933) 3.212 10.757 ( 0.000 3.001 -3.030) 4.265 14.753 ( -0.000 -3.180 0.546) 3.227 14.812 ( -0.000 -3.255 -1.028) 3.414 14.892 ( -0.000 -1.567 2.688) 3.111 14.984 ( -0.000 -0.025 0.304) 0.305 15.638 ( -0.000 -2.063 1.223) 2.398 15.776 ( -0.000 -1.529 -2.547) 2.971 22.714 ( 0.000 0.286 -0.090) 0.299 22.740 ( 0.000 0.142 -0.862) 0.873 31.032 ( 0.000 8.958 0.278) 8.962 31.165 ( -0.000 -3.169 -5.802) 6.611 31.661 ( 0.000 13.303 6.209) 14.681 32.156 ( 0.000 16.676 -7.129) 18.136 32.515 ( -0.000 -2.674 22.647) 22.805 33.828 ( -0.000 -9.609 -16.156) 18.797 ======================= Grid point 294 (103/144) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -5.612 0.000 -0.324) 5.621 1.776 ( -1.140 0.000 3.210) 3.406 2.122 ( -10.524 0.000 4.883) 11.601 2.337 ( -7.891 0.000 6.199) 10.035 2.346 ( -8.115 0.000 2.624) 8.528 2.393 ( -17.975 0.000 0.490) 17.982 2.602 ( -1.984 0.000 7.505) 7.763 3.013 ( 3.421 -0.000 2.617) 4.307 3.117 ( 4.438 -0.000 7.816) 8.988 3.256 ( 3.115 -0.000 3.512) 4.694 3.383 ( -6.318 0.000 15.050) 16.322 3.568 ( 4.305 -0.000 -1.904) 4.707 4.368 ( 10.161 -0.000 2.495) 10.463 4.572 ( -0.825 0.000 -2.815) 2.933 4.675 ( 2.663 -0.000 -3.410) 4.327 4.746 ( -0.501 0.000 2.278) 2.332 5.772 ( -3.076 0.000 -5.900) 6.654 5.828 ( -0.822 0.000 -12.990) 13.016 9.782 ( 0.681 -0.000 3.901) 3.960 10.010 ( 2.440 -0.000 -2.406) 3.427 10.680 ( 1.571 -0.000 2.469) 2.926 10.868 ( 2.222 -0.000 -2.649) 3.458 14.668 ( -3.021 0.000 0.139) 3.024 14.696 ( -1.136 0.000 -0.102) 1.140 14.757 ( -0.778 0.000 2.919) 3.021 15.039 ( 0.216 -0.000 -4.457) 4.462 15.573 ( -1.140 0.000 0.919) 1.464 15.701 ( -0.105 0.000 -3.512) 3.513 22.714 ( 0.226 -0.000 0.540) 0.585 22.764 ( 0.124 -0.000 -0.823) 0.832 30.894 ( 4.376 -0.000 9.266) 10.247 31.495 ( 1.880 -0.000 -9.208) 9.398 32.321 ( -0.830 0.000 13.317) 13.343 32.490 ( 13.642 -0.000 1.694) 13.747 32.516 ( 7.515 -0.000 2.082) 7.798 33.354 ( -8.393 0.000 -15.336) 17.482 ======================= Grid point 295 (104/144) ======================= q-point: ( 0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -5.150 -2.149 1.269) 5.723 1.783 ( -0.763 -2.992 -0.672) 3.160 1.934 ( -15.420 -0.327 3.299) 15.773 2.117 ( -15.962 0.967 -1.545) 16.065 2.223 ( -7.949 1.773 9.199) 12.287 2.320 ( -5.462 -4.645 3.676) 8.058 2.669 ( 1.139 -7.993 7.935) 11.321 3.076 ( 2.447 -3.206 7.223) 8.272 3.155 ( 2.683 1.528 8.940) 9.458 3.237 ( -0.474 4.307 11.057) 11.875 3.383 ( 1.079 -5.442 3.406) 6.510 3.578 ( -0.128 1.906 -2.457) 3.112 4.491 ( 7.424 0.688 2.397) 7.831 4.548 ( 2.154 2.512 -0.409) 3.335 4.707 ( 2.824 0.747 -1.539) 3.302 4.776 ( -2.862 -4.470 -0.167) 5.311 5.745 ( -1.562 -0.447 -6.812) 7.003 5.831 ( -0.654 -1.617 -13.089) 13.204 9.786 ( 0.427 0.455 3.942) 3.991 10.031 ( 1.615 0.858 -2.733) 3.288 10.690 ( 1.105 1.016 2.484) 2.902 10.886 ( 1.568 1.046 -2.835) 3.405 14.639 ( -1.996 -0.788 0.302) 2.167 14.683 ( -1.026 -0.615 -0.814) 1.447 14.761 ( -0.196 -1.213 3.651) 3.852 15.039 ( 0.169 0.442 -4.137) 4.164 15.564 ( -0.809 -0.559 1.194) 1.547 15.703 ( -0.120 -0.537 -3.373) 3.417 22.716 ( 0.154 0.019 0.456) 0.481 22.764 ( 0.088 0.268 -0.832) 0.879 30.957 ( 3.305 -1.380 8.606) 9.321 31.489 ( 0.764 3.165 -7.303) 7.996 32.241 ( 0.913 7.591 8.733) 11.607 32.542 ( 8.083 8.220 4.165) 12.258 32.681 ( 9.634 -0.922 -0.398) 9.686 33.313 ( -9.729 -9.306 -12.407) 18.308 ======================= Grid point 296 (105/144) ======================= q-point: (-0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.792 -5.000 1.105) 6.372 1.771 ( -8.096 -2.165 -1.126) 8.456 1.840 ( -3.471 -4.966 1.637) 6.277 1.980 ( -4.299 -3.943 -0.127) 5.835 2.110 ( -6.009 0.745 10.532) 12.148 2.323 ( -4.328 -4.333 4.005) 7.317 2.804 ( 0.865 -6.514 6.195) 9.031 3.140 ( 0.473 0.105 3.763) 3.794 3.156 ( 2.517 2.411 7.868) 8.605 3.206 ( 0.165 -3.847 21.520) 21.861 3.458 ( 2.304 4.901 -3.913) 6.681 3.584 ( -0.593 -8.660 0.352) 8.687 4.496 ( 0.574 2.946 -0.857) 3.121 4.596 ( 6.195 1.071 1.900) 6.568 4.722 ( 0.642 0.587 -0.273) 0.912 4.777 ( -4.504 -2.386 -1.422) 5.292 5.742 ( -0.643 -1.226 -6.769) 6.909 5.857 ( -0.414 -2.791 -12.599) 12.911 9.780 ( 0.156 0.958 3.822) 3.943 10.027 ( 0.739 1.792 -2.877) 3.469 10.679 ( 0.522 1.926 2.434) 3.148 10.879 ( 0.740 2.082 -2.977) 3.708 14.639 ( -0.832 -1.765 0.424) 1.996 14.692 ( -0.265 -1.694 -0.980) 1.975 14.783 ( -0.203 -2.019 3.644) 4.171 15.030 ( 0.043 0.919 -3.385) 3.507 15.568 ( -0.407 -1.096 1.383) 1.811 15.714 ( -0.056 -1.029 -3.139) 3.304 22.717 ( 0.071 0.035 0.298) 0.308 22.759 ( 0.054 0.464 -0.868) 0.986 31.018 ( 1.655 -2.374 5.974) 6.638 31.423 ( 0.042 6.409 -5.401) 8.382 32.141 ( 2.368 8.920 7.292) 11.762 32.524 ( 5.969 6.575 8.139) 12.046 32.744 ( 5.299 6.717 -4.813) 9.817 33.348 ( -8.465 -12.510 -10.221) 18.238 ======================= Grid point 297 (106/144) ======================= q-point: (-0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -0.000 -5.770 -0.296) 5.777 1.742 ( -0.000 -1.114 -2.055) 2.337 1.915 ( -0.000 -8.156 3.851) 9.019 2.046 ( -0.000 -0.072 11.281) 11.281 2.091 ( -0.000 -9.852 -1.121) 9.916 2.337 ( -0.000 -1.960 4.650) 5.046 2.852 ( 0.000 0.276 9.529) 9.533 3.107 ( 0.000 5.082 2.804) 5.804 3.167 ( -0.000 -3.587 1.672) 3.958 3.322 ( -0.000 -8.253 24.956) 26.285 3.339 ( 0.000 10.618 -3.196) 11.089 3.721 ( -0.000 -6.474 1.292) 6.601 4.470 ( 0.000 0.355 -2.244) 2.271 4.640 ( 0.000 1.502 0.909) 1.755 4.732 ( 0.000 1.974 -1.664) 2.582 4.740 ( -0.000 -4.458 -1.907) 4.849 5.764 ( -0.000 -2.280 -5.951) 6.373 5.904 ( -0.000 -4.054 -11.414) 12.113 9.763 ( 0.000 1.369 3.561) 3.815 9.999 ( 0.000 2.593 -2.811) 3.824 10.649 ( 0.000 2.523 2.313) 3.423 10.847 ( 0.000 2.808 -3.049) 4.145 14.667 ( -0.000 -2.551 0.500) 2.599 14.723 ( -0.000 -2.589 -1.028) 2.786 14.815 ( -0.000 -2.610 3.357) 4.252 15.014 ( 0.000 1.228 -2.292) 2.600 15.585 ( -0.000 -1.508 1.431) 2.079 15.731 ( -0.000 -1.389 -2.895) 3.211 22.717 ( 0.000 0.037 0.123) 0.129 22.752 ( 0.000 0.544 -0.904) 1.056 31.069 ( -0.000 -2.981 1.918) 3.545 31.309 ( 0.000 8.694 -3.987) 9.565 32.023 ( 0.000 10.486 7.184) 12.710 32.506 ( 0.000 2.340 15.734) 15.907 32.616 ( 0.000 13.597 -8.845) 16.221 33.481 ( -0.000 -13.259 -11.412) 17.494 ======================= Grid point 306 (107/144) ======================= q-point: ( 0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -3.780 0.000 1.603) 4.106 1.739 ( -10.951 0.000 3.565) 11.517 1.741 ( -1.841 0.000 -3.215) 3.704 1.919 ( -10.918 0.000 -1.286) 10.994 2.207 ( -3.034 0.000 11.498) 11.892 2.214 ( -2.746 0.000 1.856) 3.314 2.621 ( 1.404 -0.000 9.353) 9.458 3.066 ( 0.799 -0.000 10.696) 10.726 3.203 ( 2.143 -0.000 11.510) 11.708 3.263 ( -2.683 0.000 11.268) 11.583 3.333 ( 1.973 -0.000 -0.855) 2.150 3.595 ( -0.488 0.000 -4.681) 4.706 4.573 ( 0.144 -0.000 -0.896) 0.907 4.596 ( 6.297 -0.000 3.143) 7.038 4.710 ( -2.373 0.000 2.378) 3.360 4.761 ( 2.500 -0.000 -2.236) 3.354 5.727 ( -0.687 0.000 -7.518) 7.549 5.814 ( -0.287 0.000 -13.890) 13.893 9.794 ( 0.235 -0.000 4.069) 4.076 10.054 ( 0.848 -0.000 -2.983) 3.101 10.709 ( 0.594 -0.000 2.521) 2.590 10.911 ( 0.862 -0.000 -2.939) 3.063 14.612 ( -1.084 0.000 0.461) 1.178 14.666 ( -0.702 0.000 -0.989) 1.213 14.752 ( 0.050 -0.000 3.994) 3.994 15.044 ( 0.131 -0.000 -4.347) 4.349 15.552 ( -0.446 0.000 1.346) 1.418 15.698 ( -0.090 0.000 -3.409) 3.410 22.718 ( 0.083 -0.000 0.502) 0.509 22.767 ( 0.043 -0.000 -0.813) 0.814 30.981 ( 1.832 -0.000 9.748) 9.918 31.521 ( 0.377 -0.000 -6.045) 6.057 32.280 ( -1.090 0.000 8.673) 8.742 32.688 ( 3.752 -0.000 3.702) 5.271 32.826 ( 11.306 -0.000 -4.760) 12.267 33.113 ( -9.487 0.000 -10.049) 13.820 ======================= Grid point 307 (108/144) ======================= q-point: (-0.45 -0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -0.000 -2.551 1.554) 2.987 1.677 ( -0.000 -1.793 2.037) 2.714 1.748 ( -0.000 -3.269 -2.091) 3.881 1.877 ( -0.000 -3.827 -1.218) 4.016 2.126 ( 0.000 4.594 9.718) 10.749 2.241 ( -0.000 -3.321 4.910) 5.928 2.695 ( -0.000 -7.626 7.926) 10.999 3.105 ( -0.000 -4.139 11.403) 12.131 3.188 ( 0.000 2.999 17.805) 18.056 3.223 ( 0.000 2.226 4.355) 4.891 3.423 ( -0.000 -8.857 -0.270) 8.861 3.561 ( 0.000 3.996 -4.617) 6.106 4.547 ( 0.000 3.046 -0.716) 3.129 4.671 ( 0.000 0.562 1.001) 1.148 4.671 ( -0.000 -1.474 3.736) 4.017 4.773 ( 0.000 0.743 -1.904) 2.044 5.726 ( -0.000 -0.497 -7.558) 7.574 5.823 ( -0.000 -1.481 -13.664) 13.744 9.792 ( 0.000 0.523 4.027) 4.060 10.053 ( 0.000 0.956 -3.034) 3.181 10.705 ( 0.000 1.075 2.505) 2.726 10.908 ( 0.000 1.157 -2.990) 3.206 14.612 ( -0.000 -1.008 0.501) 1.126 14.668 ( -0.000 -0.998 -1.020) 1.427 14.760 ( -0.000 -0.991 3.964) 4.086 15.041 ( 0.000 0.524 -4.086) 4.120 15.553 ( -0.000 -0.595 1.416) 1.536 15.701 ( -0.000 -0.564 -3.321) 3.369 22.718 ( 0.000 0.030 0.442) 0.443 22.765 ( 0.000 0.259 -0.828) 0.867 31.003 ( -0.000 -1.238 8.817) 8.903 31.498 ( 0.000 3.481 -5.360) 6.391 32.243 ( 0.000 3.974 7.843) 8.792 32.650 ( 0.000 6.473 6.091) 8.888 32.905 ( 0.000 5.320 -10.103) 11.418 33.102 ( -0.000 -10.812 -6.169) 12.448 ======================= Grid point 369 (109/144) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 0.000 10.794) 10.794 0.955 ( 0.000 0.000 -8.891) 8.891 1.416 ( 0.000 0.000 19.298) 19.298 1.759 ( 0.000 0.000 -12.274) 12.274 2.646 ( 0.000 0.000 5.122) 5.122 2.749 ( 0.000 0.000 -4.321) 4.321 2.897 ( 0.000 0.000 18.246) 18.246 2.991 ( 0.000 0.000 0.780) 0.780 3.008 ( 0.000 0.000 -1.050) 1.050 3.110 ( 0.000 0.000 -2.673) 2.673 3.528 ( 0.000 0.000 2.353) 2.353 3.543 ( 0.000 0.000 3.242) 3.242 4.493 ( 0.000 0.000 0.025) 0.025 4.494 ( 0.000 0.000 -0.044) 0.044 4.620 ( 0.000 0.000 1.748) 1.748 4.668 ( 0.000 0.000 -1.699) 1.699 5.993 ( 0.000 0.000 9.253) 9.253 6.331 ( 0.000 0.000 -20.705) 20.705 9.644 ( 0.000 0.000 0.893) 0.893 9.663 ( 0.000 0.000 -0.851) 0.851 10.559 ( 0.000 0.000 2.479) 2.479 10.608 ( 0.000 0.000 -2.213) 2.213 14.856 ( 0.000 0.000 4.553) 4.553 14.953 ( 0.000 0.000 -4.625) 4.625 14.961 ( 0.000 0.000 0.978) 0.978 14.983 ( 0.000 0.000 -1.092) 1.092 15.812 ( 0.000 0.000 0.846) 0.846 15.826 ( 0.000 0.000 -0.445) 0.445 22.703 ( 0.000 0.000 0.955) 0.955 22.724 ( 0.000 0.000 -1.047) 1.047 31.001 ( 0.000 0.000 4.962) 4.962 31.107 ( 0.000 0.000 -4.999) 4.999 31.359 ( 0.000 0.000 4.421) 4.421 31.460 ( 0.000 0.000 -5.183) 5.183 33.049 ( 0.000 0.000 9.605) 9.605 33.243 ( 0.000 0.000 -8.733) 8.733 ======================= Grid point 370 (110/144) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 23.639 -6.792 8.451) 26.007 1.171 ( 19.948 -7.206 -7.439) 22.476 1.510 ( 2.759 -10.292 16.598) 19.723 1.809 ( 0.059 -7.182 -10.655) 12.850 2.651 ( 0.903 0.731 4.413) 4.563 2.728 ( -1.858 1.607 -2.038) 3.192 2.909 ( 0.404 -1.000 11.629) 11.679 2.960 ( -1.664 1.405 1.739) 2.787 3.003 ( 1.236 1.840 -0.199) 2.225 3.091 ( 0.286 1.794 -1.424) 2.308 3.519 ( 0.201 -0.534 6.177) 6.203 3.584 ( -0.767 -3.597 1.224) 3.876 4.471 ( -3.521 0.405 0.149) 3.548 4.481 ( -1.879 0.447 -0.450) 1.983 4.635 ( 2.730 -0.261 2.791) 3.913 4.720 ( 2.638 -4.106 -4.368) 6.549 5.990 ( -1.001 -0.434 9.392) 9.455 6.323 ( -2.214 -0.806 -20.039) 20.177 9.660 ( 1.632 -0.487 1.022) 1.986 9.681 ( 1.619 -0.913 -0.979) 2.101 10.558 ( 0.737 0.621 2.646) 2.816 10.612 ( 0.759 0.217 -2.386) 2.513 14.858 ( -1.134 -1.139 4.776) 5.039 14.951 ( -1.351 0.379 -1.551) 2.092 14.952 ( -0.870 0.287 -0.792) 1.211 14.982 ( 0.319 -0.682 -2.560) 2.668 15.794 ( -2.042 0.509 0.481) 2.158 15.802 ( -2.284 0.749 -0.224) 2.414 22.704 ( 0.091 -0.113 0.927) 0.938 22.725 ( 0.086 -0.051 -1.022) 1.027 31.027 ( -0.193 -3.092 3.200) 4.454 31.068 ( -7.149 -2.785 -0.226) 7.676 31.393 ( 9.206 6.603 0.592) 11.344 31.427 ( 4.772 6.854 -2.002) 8.588 33.054 ( -1.038 -2.130 11.911) 12.144 33.314 ( 0.972 -8.125 -13.085) 15.432 ======================= Grid point 371 (111/144) ======================= q-point: ( 0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 21.011 -6.347 8.135) 23.407 1.568 ( 20.572 -7.001 -6.356) 22.641 1.776 ( 9.179 -12.691 9.928) 18.544 1.971 ( 3.151 -10.227 -7.430) 13.028 2.627 ( -1.714 1.892 2.224) 3.386 2.662 ( -2.535 1.666 -0.970) 3.185 2.879 ( 0.042 2.689 4.763) 5.470 2.969 ( 2.043 2.695 -3.911) 5.170 3.028 ( 3.187 -4.645 7.950) 9.743 3.092 ( 1.633 -0.850 0.575) 1.929 3.548 ( 0.702 -2.484 7.980) 8.387 3.614 ( -1.807 -3.052 3.364) 4.889 4.386 ( -6.172 2.135 1.025) 6.611 4.417 ( -4.733 2.199 -1.205) 5.356 4.705 ( 3.424 -2.967 2.931) 5.396 4.833 ( 4.057 -4.422 -8.156) 10.126 5.978 ( -1.836 -0.440 9.240) 9.431 6.289 ( -4.155 -0.121 -17.910) 18.386 9.696 ( 2.297 -0.691 1.500) 2.829 9.727 ( 2.438 -1.296 -1.353) 3.075 10.563 ( 1.294 0.583 2.905) 3.233 10.622 ( 1.313 0.219 -2.717) 3.026 14.845 ( -2.642 -0.068 3.656) 4.511 14.903 ( -2.935 1.764 -1.884) 3.908 14.944 ( 0.027 -0.421 1.972) 2.016 15.008 ( 0.106 -1.856 -3.733) 4.170 15.748 ( -2.804 0.788 0.658) 2.986 15.763 ( -2.414 0.140 -0.847) 2.562 22.707 ( 0.068 -0.042 0.846) 0.850 22.726 ( 0.056 0.064 -0.977) 0.980 31.009 ( -5.297 -1.935 5.456) 7.847 31.086 ( -1.430 -4.577 -1.432) 5.004 31.334 ( 5.792 10.714 4.081) 12.844 31.442 ( 7.274 6.227 -5.160) 10.877 33.099 ( 0.608 -4.550 17.230) 17.831 33.479 ( 2.682 -9.935 -19.379) 21.942 ======================= Grid point 372 (112/144) ======================= q-point: ( 0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 13.124 -5.929 7.477) 16.227 1.878 ( 12.526 -2.507 -5.948) 14.091 2.024 ( 6.587 -6.310 4.103) 10.002 2.099 ( -0.105 -3.325 -2.924) 4.429 2.603 ( 2.367 -0.574 3.853) 4.558 2.675 ( 2.995 -3.076 -2.449) 4.942 2.850 ( 2.465 4.247 4.294) 6.523 2.941 ( 1.199 3.543 -3.575) 5.174 3.158 ( 3.647 -4.215 3.373) 6.515 3.189 ( 3.866 -7.555 0.669) 8.513 3.619 ( 2.560 -4.615 8.570) 10.065 3.649 ( -0.366 -4.917 7.466) 8.947 4.256 ( -7.554 2.636 2.013) 8.250 4.301 ( -6.409 2.930 -1.001) 7.118 4.792 ( 2.675 -2.831 2.320) 4.534 4.942 ( 3.531 -3.215 -10.774) 11.785 5.953 ( -2.292 0.032 7.943) 8.267 6.215 ( -5.248 1.526 -14.677) 15.662 9.737 ( 2.121 -0.664 2.071) 3.038 9.777 ( 2.285 -1.153 -1.754) 3.102 10.576 ( 1.472 0.165 3.024) 3.367 10.640 ( 1.481 0.014 -2.962) 3.311 14.795 ( -2.840 1.338 1.737) 3.588 14.831 ( -3.073 2.237 -1.648) 4.143 14.962 ( 0.051 -1.559 3.097) 3.468 15.030 ( -0.325 -1.176 -3.079) 3.312 15.707 ( -2.023 0.292 1.070) 2.308 15.735 ( -1.854 -0.267 -1.666) 2.507 22.707 ( 0.026 0.061 0.664) 0.668 22.724 ( -0.030 0.242 -0.915) 0.947 30.982 ( -2.350 -1.324 7.192) 7.681 31.116 ( -1.793 -2.042 -5.536) 6.167 31.267 ( 3.587 6.466 6.452) 9.814 31.414 ( 2.718 6.397 -6.943) 9.825 33.200 ( 2.955 -5.357 21.595) 22.445 33.654 ( 3.442 -7.709 -21.938) 23.507 ======================= Grid point 373 (113/144) ======================= q-point: ( 0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.884 2.572 2.091) 3.430 1.890 ( -1.886 4.465 -0.341) 4.859 2.191 ( 5.393 -7.024 2.613) 9.233 2.247 ( 8.886 -8.247 -2.104) 12.304 2.680 ( 5.444 0.041 6.067) 8.152 2.771 ( 2.657 -2.769 -1.616) 4.164 2.817 ( 3.183 4.775 2.602) 6.301 2.902 ( 0.331 2.898 -3.766) 4.763 3.254 ( 2.105 -2.819 3.381) 4.879 3.311 ( 1.000 -3.317 -2.001) 4.001 3.758 ( 3.209 -8.515 9.523) 13.172 3.772 ( 4.643 -6.348 6.329) 10.095 4.125 ( -6.354 1.594 3.512) 7.433 4.178 ( -5.321 2.433 0.468) 5.869 4.851 ( 1.348 -1.446 2.605) 3.270 5.020 ( 2.478 -1.934 -12.750) 13.132 5.921 ( -1.886 0.294 5.324) 5.656 6.112 ( -5.005 2.730 -11.139) 12.514 9.769 ( 1.434 -0.472 2.475) 2.899 9.818 ( 1.550 -0.759 -2.059) 2.687 10.594 ( 1.166 -0.122 3.033) 3.252 10.659 ( 1.167 -0.137 -3.060) 3.278 14.742 ( -1.985 1.313 0.605) 2.455 14.764 ( -2.287 1.821 -1.400) 3.242 14.985 ( -0.026 -1.516 2.680) 3.079 15.034 ( -0.543 -0.167 -1.763) 1.853 15.685 ( -1.102 -0.024 1.352) 1.744 15.720 ( -1.090 -0.340 -2.065) 2.359 22.707 ( 0.021 0.057 0.379) 0.383 22.719 ( -0.077 0.306 -0.800) 0.860 30.985 ( -0.293 -1.391 5.345) 5.531 31.100 ( -0.629 1.564 -5.488) 5.741 31.239 ( 0.717 1.584 4.576) 4.895 31.343 ( -0.339 4.638 -5.156) 6.944 33.314 ( 3.125 -3.948 23.262) 23.801 33.787 ( 2.676 -4.488 -21.905) 22.520 ======================= Grid point 374 (114/144) ======================= q-point: ( 0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -1.679 2.692 2.703) 4.168 1.831 ( -1.259 1.450 -1.564) 2.476 2.368 ( 4.169 -5.296 3.810) 7.742 2.433 ( 3.515 -3.578 -1.779) 5.322 2.706 ( 1.976 1.449 5.402) 5.932 2.780 ( 0.045 3.201 -2.148) 3.856 2.824 ( 1.176 -0.656 2.800) 3.107 2.883 ( 0.639 0.450 -2.741) 2.851 3.296 ( 0.732 -0.632 3.827) 3.947 3.334 ( -0.541 -0.536 -1.315) 1.520 3.880 ( 0.639 -3.042 3.526) 4.700 3.892 ( 1.324 -2.526 3.631) 4.617 4.074 ( -0.863 -1.599 6.834) 7.071 4.107 ( -1.354 1.260 4.559) 4.920 4.872 ( 0.264 -0.250 3.700) 3.718 5.064 ( 0.993 -0.732 -14.247) 14.300 5.903 ( -0.466 -0.114 2.364) 2.412 6.022 ( -2.502 1.781 -8.155) 8.714 9.787 ( 0.502 -0.172 2.664) 2.717 9.839 ( 0.543 -0.263 -2.224) 2.305 10.607 ( 0.444 -0.091 3.015) 3.049 10.672 ( 0.443 -0.082 -3.076) 3.108 14.710 ( -0.678 0.493 -0.024) 0.838 14.723 ( -0.865 0.723 -1.122) 1.591 15.005 ( 0.122 -1.069 1.480) 1.830 15.024 ( -0.408 0.549 -0.228) 0.721 15.676 ( -0.341 -0.047 1.490) 1.529 15.715 ( -0.356 -0.142 -2.169) 2.203 22.707 ( 0.021 -0.006 0.111) 0.113 22.715 ( -0.049 0.163 -0.655) 0.677 31.010 ( 0.354 -1.572 1.637) 2.297 31.065 ( -0.196 1.991 -3.375) 3.924 31.232 ( -0.124 0.099 2.549) 2.554 31.286 ( -0.597 1.723 -2.450) 3.055 33.385 ( 1.267 -1.404 23.493) 23.569 33.855 ( 0.981 -1.436 -21.369) 21.440 ======================= Grid point 381 (115/144) ======================= q-point: ( 0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 32.885 -0.000 4.801) 33.234 1.413 ( 12.382 -0.000 7.384) 14.417 1.537 ( 22.723 -0.000 3.976) 23.068 1.763 ( 2.999 -0.000 -9.940) 10.383 2.664 ( -0.737 0.000 2.986) 3.076 2.705 ( -3.783 0.000 0.638) 3.836 2.915 ( 1.192 -0.000 10.035) 10.106 2.939 ( -1.819 0.000 2.468) 3.066 3.034 ( 1.067 -0.000 -1.577) 1.904 3.084 ( -2.359 0.000 -0.842) 2.504 3.525 ( 0.026 -0.000 3.970) 3.970 3.546 ( 0.469 -0.000 3.979) 4.007 4.448 ( -1.796 0.000 -0.891) 2.005 4.460 ( -2.213 0.000 -0.765) 2.342 4.682 ( 2.686 -0.000 -0.353) 2.709 4.696 ( 1.478 -0.000 -0.794) 1.678 5.961 ( -2.640 0.000 8.270) 8.681 6.265 ( -5.288 0.000 -18.176) 18.929 9.688 ( 2.827 -0.000 0.884) 2.962 9.706 ( 2.938 -0.000 -0.796) 3.044 10.578 ( 1.396 -0.000 2.510) 2.872 10.629 ( 1.470 -0.000 -2.266) 2.701 14.832 ( -1.542 0.000 4.814) 5.055 14.926 ( -2.083 0.000 -3.571) 4.134 14.945 ( -1.244 0.000 0.735) 1.445 14.972 ( -0.669 0.000 -2.253) 2.351 15.760 ( -3.334 0.000 0.288) 3.347 15.764 ( -3.703 0.000 -0.089) 3.704 22.706 ( 0.227 -0.000 0.941) 0.968 22.727 ( 0.206 -0.000 -1.034) 1.054 30.963 ( -5.228 0.000 4.051) 6.613 31.016 ( 1.462 -0.000 -0.964) 1.751 31.579 ( 11.231 -0.000 0.424) 11.239 31.589 ( 8.855 -0.000 -1.207) 8.937 33.006 ( -2.993 0.000 11.051) 11.449 33.252 ( 0.307 -0.000 -12.700) 12.704 ======================= Grid point 382 (116/144) ======================= q-point: ( 0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 8.752 -5.176 11.433) 15.300 1.733 ( 12.535 -4.051 -4.008) 13.770 1.928 ( 27.663 -1.238 0.250) 27.692 1.971 ( 20.233 -4.240 -3.011) 20.890 2.612 ( -4.213 1.216 1.688) 4.698 2.642 ( -3.472 0.802 -0.880) 3.670 2.913 ( 1.016 0.109 6.618) 6.696 2.974 ( 0.424 -4.806 6.091) 7.770 3.025 ( -0.086 1.815 -2.690) 3.246 3.062 ( -2.304 -1.800 -0.516) 2.969 3.539 ( 1.383 -1.148 6.382) 6.630 3.569 ( 0.794 -1.226 5.172) 5.375 4.369 ( -3.923 4.557 0.792) 6.065 4.419 ( -2.426 3.325 -3.455) 5.374 4.694 ( 1.262 -1.858 3.263) 3.961 4.796 ( 2.183 -6.245 -5.886) 8.855 5.924 ( -4.101 -1.143 7.102) 8.280 6.189 ( -7.937 -1.771 -15.544) 17.543 9.728 ( 2.973 -0.019 1.368) 3.273 9.753 ( 3.401 -0.467 -1.068) 3.595 10.594 ( 1.860 0.685 2.692) 3.342 10.649 ( 1.950 0.350 -2.470) 3.167 14.812 ( -1.977 -0.118 4.218) 4.660 14.884 ( -3.052 1.117 -2.376) 4.027 14.928 ( -1.444 -0.499 1.127) 1.899 14.976 ( -0.721 -1.672 -3.409) 3.865 15.711 ( -3.249 0.145 0.358) 3.272 15.721 ( -3.055 -0.501 -0.655) 3.164 22.709 ( 0.249 0.039 0.898) 0.932 22.729 ( 0.218 0.091 -1.008) 1.035 30.925 ( -2.426 -1.444 7.171) 7.706 31.052 ( 2.004 -1.197 -4.810) 5.347 31.616 ( 9.434 11.960 3.382) 15.604 31.679 ( 10.982 7.652 -2.008) 13.534 33.005 ( -2.570 -5.658 14.735) 15.992 33.339 ( 0.196 -10.438 -17.429) 20.316 ======================= Grid point 383 (117/144) ======================= q-point: ( 0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 7.630 -8.141 8.762) 14.186 1.928 ( 3.736 -7.126 -4.649) 9.293 2.164 ( 11.537 7.776 0.128) 13.913 2.178 ( 11.825 5.159 -0.991) 12.939 2.615 ( 4.491 -3.655 2.647) 6.366 2.653 ( 1.737 -3.503 -0.361) 3.927 2.938 ( 2.967 1.903 2.466) 4.302 2.982 ( -1.545 1.597 -0.519) 2.282 3.089 ( -1.710 -6.623 0.858) 6.894 3.096 ( 1.357 -8.956 0.974) 9.111 3.587 ( 1.596 -2.645 9.981) 10.448 3.630 ( 5.183 -2.710 5.992) 8.374 4.233 ( -4.831 5.202 2.356) 7.480 4.304 ( -3.348 5.905 -3.123) 7.472 4.758 ( 0.488 -4.301 3.607) 5.635 4.910 ( 1.385 -5.582 -9.657) 11.240 5.888 ( -4.712 -2.027 5.687) 7.658 6.107 ( -9.051 -2.468 -12.719) 15.804 9.764 ( 2.481 0.085 2.089) 3.245 9.803 ( 3.016 -0.293 -1.572) 3.414 10.608 ( 2.026 0.913 2.932) 3.680 10.669 ( 2.084 0.626 -2.780) 3.530 14.778 ( -2.203 0.883 2.257) 3.275 14.820 ( -3.083 1.762 -1.768) 3.966 14.928 ( -1.174 -1.906 2.451) 3.319 14.994 ( -1.051 -2.144 -3.455) 4.200 15.676 ( -2.181 -0.353 0.725) 2.326 15.699 ( -1.994 -0.942 -1.461) 2.645 22.711 ( 0.208 0.167 0.763) 0.809 22.729 ( 0.146 0.295 -0.959) 1.014 30.933 ( -0.207 -1.735 8.144) 8.330 31.093 ( 1.786 -0.606 -6.971) 7.222 31.527 ( 8.816 15.247 5.723) 18.519 31.644 ( 8.153 13.561 -4.854) 16.551 33.103 ( -0.597 -9.595 19.532) 21.769 33.521 ( -0.209 -12.808 -20.478) 24.155 ======================= Grid point 384 (118/144) ======================= q-point: ( 0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.011 0.180 3.362) 3.366 1.938 ( -4.268 3.965 -0.410) 5.840 2.205 ( 8.257 -1.467 4.232) 9.394 2.304 ( 11.791 -2.139 -4.511) 12.804 2.705 ( -1.198 -2.080 4.443) 5.050 2.737 ( 2.721 -2.724 0.892) 3.952 2.909 ( -0.916 3.290 0.657) 3.478 2.935 ( -0.913 2.459 -2.169) 3.404 3.189 ( -0.459 -7.072 1.856) 7.326 3.232 ( -0.787 -6.815 -1.746) 7.079 3.684 ( 3.159 -5.997 12.891) 14.565 3.769 ( 5.708 -4.453 3.873) 8.210 4.123 ( -0.198 3.622 3.780) 5.238 4.192 ( -0.453 4.496 -1.020) 4.633 4.815 ( -0.978 -3.565 3.541) 5.119 4.991 ( -0.085 -4.147 -12.124) 12.814 5.861 ( -4.177 -2.472 3.656) 6.076 6.023 ( -8.365 -2.069 -9.914) 13.136 9.790 ( 1.691 0.302 2.613) 3.127 9.839 ( 2.193 0.173 -2.041) 3.001 10.621 ( 1.768 0.946 3.041) 3.643 10.685 ( 1.799 0.837 -2.991) 3.590 14.735 ( -1.650 1.091 0.754) 2.116 14.758 ( -2.277 1.513 -1.377) 3.061 14.948 ( -0.998 -2.522 2.831) 3.921 15.007 ( -1.228 -1.626 -2.583) 3.290 15.662 ( -1.230 -0.731 1.107) 1.809 15.694 ( -1.077 -1.108 -1.953) 2.491 22.710 ( 0.178 0.230 0.518) 0.594 22.725 ( 0.086 0.447 -0.865) 0.978 30.964 ( 1.210 -1.424 6.802) 7.054 31.112 ( 1.273 0.961 -7.139) 7.315 31.430 ( 8.695 13.162 4.808) 16.491 31.531 ( 6.532 13.922 -4.466) 16.013 33.237 ( -0.567 -8.626 21.696) 23.354 33.682 ( -1.674 -10.293 -20.845) 23.308 ======================= Grid point 385 (119/144) ======================= q-point: ( 0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -1.420 4.241 2.473) 5.110 1.859 ( -0.204 2.515 -0.663) 2.609 2.363 ( 5.292 -4.676 5.660) 9.050 2.476 ( 7.487 -1.344 -4.174) 8.677 2.674 ( -5.973 -1.141 3.411) 6.972 2.725 ( -6.871 1.442 -1.048) 7.098 2.854 ( -1.207 1.122 2.397) 2.909 2.892 ( -1.479 0.797 -1.283) 2.114 3.261 ( -0.895 -3.607 1.709) 4.090 3.275 ( -2.649 -3.648 -0.485) 4.534 3.803 ( 0.458 -5.922 9.263) 11.004 3.862 ( 0.486 -2.966 2.854) 4.145 4.137 ( 7.023 2.580 5.176) 9.098 4.177 ( 5.319 2.955 2.205) 6.471 4.836 ( -2.334 -2.539 3.984) 5.270 5.030 ( -1.978 -2.939 -13.800) 14.247 5.856 ( -2.744 -3.082 1.383) 4.352 5.958 ( -5.661 -2.510 -7.576) 9.785 9.799 ( 0.786 0.624 2.859) 3.030 9.855 ( 1.190 0.739 -2.354) 2.739 10.625 ( 1.104 1.089 3.040) 3.413 10.690 ( 1.131 1.096 -3.085) 3.464 14.709 ( -0.523 0.391 0.020) 0.653 14.721 ( -0.887 0.540 -1.030) 1.463 14.973 ( -0.831 -2.493 2.160) 3.402 15.010 ( -1.076 -0.928 -1.256) 1.896 15.663 ( -0.543 -0.864 1.414) 1.744 15.700 ( -0.393 -1.027 -2.164) 2.427 22.709 ( 0.163 0.190 0.234) 0.343 22.719 ( 0.084 0.430 -0.720) 0.843 31.002 ( 1.630 -0.961 3.528) 4.003 31.096 ( 0.444 2.640 -5.364) 5.995 31.376 ( 8.909 10.167 3.067) 13.862 31.436 ( 7.678 11.114 -2.412) 13.722 33.323 ( -2.555 -5.596 22.339) 23.170 33.773 ( -3.707 -6.921 -20.587) 22.033 ======================= Grid point 386 (120/144) ======================= q-point: (-0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 2.817 0.296 3.194) 4.269 1.857 ( 2.944 0.322 -1.934) 3.537 2.393 ( -5.215 4.086 4.781) 8.170 2.477 ( -3.112 6.312 -2.422) 7.443 2.587 ( -8.281 -3.303 3.727) 9.664 2.653 ( -4.252 -4.783 -2.875) 7.016 2.828 ( -1.528 0.411 3.071) 3.455 2.870 ( -0.988 0.228 -0.986) 1.415 3.261 ( -3.067 -1.381 3.335) 4.737 3.304 ( -1.743 -2.983 -1.759) 3.877 3.863 ( -0.622 -1.539 7.727) 7.904 3.901 ( 0.374 -0.958 4.164) 4.289 4.179 ( 6.538 3.919 4.666) 8.938 4.200 ( 6.792 4.737 3.398) 8.951 4.837 ( -2.733 -2.183 3.477) 4.932 5.025 ( -3.806 -1.667 -13.987) 14.591 5.870 ( -1.928 -2.988 1.428) 3.832 5.972 ( -1.228 -5.722 -7.681) 9.657 9.792 ( -0.112 1.010 2.874) 3.048 9.849 ( 0.171 1.314 -2.467) 2.801 10.617 ( 0.261 1.323 2.997) 3.286 10.682 ( 0.287 1.355 -3.123) 3.416 14.712 ( 0.776 -0.623 -0.025) 0.996 14.723 ( 0.842 -0.863 -0.956) 1.539 14.995 ( -0.879 -1.676 1.241) 2.263 15.009 ( -0.596 -0.854 -0.025) 1.042 15.672 ( -0.002 -0.870 1.592) 1.815 15.713 ( 0.163 -0.847 -2.255) 2.414 22.709 ( 0.130 0.167 0.090) 0.231 22.716 ( 0.152 0.178 -0.622) 0.665 31.030 ( 1.000 0.337 0.046) 1.057 31.056 ( -0.201 1.830 -2.144) 2.826 31.361 ( 8.867 8.145 2.621) 12.322 31.413 ( 9.957 8.420 -2.103) 13.209 33.332 ( -5.117 -2.603 22.825) 23.536 33.790 ( -5.666 -3.957 -20.857) 21.972 ======================= Grid point 387 (121/144) ======================= q-point: (-0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.096 0.430 2.319) 2.361 1.897 ( 1.989 0.620 -2.039) 2.915 2.209 ( -6.930 5.237 3.216) 9.262 2.263 ( -8.242 7.432 -1.194) 11.162 2.580 ( -4.862 -2.971 4.699) 7.385 2.659 ( -4.659 -4.576 -2.784) 7.099 2.796 ( -1.298 1.325 3.515) 3.975 2.861 ( -0.569 -0.649 -2.139) 2.307 3.223 ( -4.813 -0.100 4.119) 6.336 3.298 ( -3.652 -0.449 -3.284) 4.932 3.804 ( -2.813 5.916 10.492) 12.369 3.854 ( -1.028 6.327 6.802) 9.346 4.234 ( 8.777 1.531 2.700) 9.310 4.263 ( 8.920 0.798 1.035) 9.015 4.821 ( -3.482 -0.993 2.077) 4.175 4.982 ( -4.808 -0.486 -12.586) 13.481 5.899 ( -0.726 -3.391 4.307) 5.530 6.073 ( 0.806 -7.495 -10.561) 12.976 9.768 ( -0.855 1.373 2.696) 3.144 9.822 ( -0.706 1.826 -2.388) 3.088 10.595 ( -0.437 1.393 2.959) 3.299 10.660 ( -0.425 1.409 -3.141) 3.468 14.748 ( 2.090 -1.616 0.462) 2.682 14.766 ( 2.212 -2.031 -1.138) 3.212 14.992 ( -0.873 0.121 2.091) 2.269 15.024 ( -0.472 -1.479 -0.806) 1.749 15.689 ( 0.519 -0.961 1.597) 1.934 15.729 ( 0.644 -0.705 -2.258) 2.451 22.708 ( 0.117 0.134 0.250) 0.307 22.718 ( 0.193 -0.099 -0.704) 0.736 31.001 ( -0.400 1.745 2.940) 3.442 31.071 ( 0.485 -1.904 -3.590) 4.093 31.359 ( 7.992 8.041 3.167) 11.771 31.434 ( 9.836 7.252 -3.727) 12.777 33.272 ( -6.682 -0.434 23.288) 24.232 33.744 ( -6.791 -1.316 -21.735) 22.809 ======================= Grid point 388 (122/144) ======================= q-point: (-0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -12.209 9.252 5.494) 16.274 1.798 ( -10.348 6.959 -6.238) 13.944 2.079 ( -1.406 7.000 5.528) 9.030 2.168 ( 2.504 2.762 -2.800) 4.662 2.563 ( -1.625 -2.737 4.082) 5.176 2.648 ( -3.596 -1.246 -3.874) 5.431 2.783 ( 0.270 -1.578 5.305) 5.542 2.875 ( -0.777 -2.331 -3.048) 3.915 3.130 ( -6.555 1.882 4.656) 8.258 3.205 ( -5.985 3.930 -2.186) 7.486 3.674 ( -1.350 6.312 11.479) 13.169 3.746 ( 0.689 6.503 6.669) 9.340 4.350 ( 9.221 -0.183 1.842) 9.405 4.385 ( 9.027 -0.118 -0.509) 9.042 4.768 ( -4.789 0.705 1.594) 5.097 4.912 ( -5.353 0.772 -10.942) 12.205 5.944 ( -0.078 -3.058 7.395) 8.003 6.195 ( 1.211 -6.778 -14.210) 15.790 9.731 ( -1.242 1.606 2.337) 3.096 9.779 ( -1.224 2.185 -2.138) 3.293 10.568 ( -0.737 1.066 2.950) 3.222 10.632 ( -0.745 1.096 -3.113) 3.383 14.810 ( 2.874 -2.051 1.118) 3.703 14.835 ( 2.782 -2.604 -1.238) 4.007 14.972 ( -0.996 0.829 3.205) 3.457 15.032 ( -0.656 -0.580 -2.213) 2.379 15.716 ( 1.028 -1.328 1.374) 2.170 15.751 ( 1.010 -0.732 -2.008) 2.364 22.708 ( 0.108 0.066 0.526) 0.541 22.723 ( 0.146 -0.161 -0.825) 0.853 30.991 ( -0.049 -1.159 6.377) 6.482 31.115 ( 0.539 -3.136 -5.154) 6.058 31.324 ( 5.095 8.822 4.682) 11.212 31.439 ( 6.052 7.181 -5.807) 11.041 33.184 ( -5.644 0.639 22.672) 23.372 33.655 ( -6.081 1.473 -22.371) 23.229 ======================= Grid point 389 (123/144) ======================= q-point: (-0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -12.240 13.415 7.544) 19.664 1.494 ( -11.357 12.342 -7.756) 18.479 1.906 ( -2.061 13.082 10.476) 16.886 2.101 ( 0.098 9.263 -7.604) 11.985 2.613 ( 0.738 -2.188 2.739) 3.583 2.651 ( 0.639 -3.188 -0.701) 3.326 2.844 ( 2.138 -3.987 2.782) 5.311 2.908 ( -0.023 -2.934 -2.872) 4.106 3.025 ( -4.814 1.650 5.846) 7.751 3.066 ( -4.565 3.383 1.317) 5.832 3.592 ( -0.037 3.948 10.367) 11.094 3.687 ( 1.203 3.838 3.662) 5.439 4.464 ( 7.182 0.222 1.149) 7.277 4.485 ( 6.188 0.816 -0.584) 6.269 4.680 ( -5.339 1.569 2.370) 6.049 4.822 ( -4.550 2.080 -9.524) 10.758 5.981 ( 0.178 -1.768 9.449) 9.615 6.293 ( 1.004 -4.203 -17.719) 18.239 9.691 ( -1.025 1.592 1.843) 2.642 9.729 ( -1.073 2.238 -1.749) 3.036 10.548 ( -0.562 0.340 2.957) 3.029 10.611 ( -0.574 0.493 -2.977) 3.072 14.876 ( 2.823 -1.357 2.039) 3.738 14.907 ( 2.128 -2.381 -1.074) 3.369 14.942 ( -1.431 0.886 3.361) 3.759 15.022 ( -0.715 0.712 -3.560) 3.700 15.755 ( 1.165 -1.862 0.901) 2.374 15.777 ( 0.989 -0.943 -1.312) 1.894 22.708 ( 0.047 0.096 0.740) 0.748 22.726 ( 0.048 -0.060 -0.903) 0.907 31.043 ( 1.312 -4.950 7.650) 9.206 31.180 ( 1.861 -3.295 -5.581) 6.743 31.234 ( 0.497 7.722 6.314) 9.987 31.371 ( -0.585 6.953 -6.414) 9.477 33.118 ( -2.245 1.005 19.785) 19.937 33.546 ( -3.201 4.755 -21.291) 22.049 ======================= Grid point 390 (124/144) ======================= q-point: (-0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 14.954 9.039) 17.474 1.202 ( 0.000 13.919 -8.482) 16.300 1.680 ( 0.000 14.416 14.445) 20.408 1.944 ( 0.000 10.689 -9.574) 14.350 2.633 ( -0.000 -0.820 4.419) 4.494 2.711 ( -0.000 -2.721 -2.685) 3.823 2.929 ( -0.000 -3.945 0.938) 4.055 2.943 ( 0.000 3.499 10.813) 11.366 2.957 ( -0.000 -2.982 -1.891) 3.531 3.038 ( -0.000 -3.036 0.406) 3.063 3.544 ( 0.000 2.699 8.830) 9.234 3.645 ( 0.000 3.443 1.049) 3.599 4.505 ( 0.000 0.987 0.495) 1.104 4.516 ( 0.000 1.327 -0.541) 1.433 4.615 ( 0.000 0.748 3.731) 3.805 4.750 ( 0.000 3.109 -7.475) 8.096 5.998 ( -0.000 -0.301 10.031) 10.036 6.339 ( -0.000 -0.975 -19.998) 20.022 9.662 ( 0.000 1.210 1.372) 1.829 9.691 ( 0.000 1.784 -1.321) 2.220 10.545 ( -0.000 -0.433 2.882) 2.914 10.604 ( -0.000 -0.060 -2.705) 2.706 14.893 ( 0.000 2.126 5.024) 5.455 14.934 ( -0.000 -1.804 0.974) 2.050 14.956 ( -0.000 -1.806 -1.103) 2.116 14.996 ( 0.000 1.872 -4.620) 4.985 15.792 ( -0.000 -1.696 0.377) 1.737 15.800 ( -0.000 -1.093 -0.415) 1.169 22.706 ( 0.000 0.168 0.860) 0.877 22.726 ( 0.000 0.060 -0.967) 0.968 31.110 ( 0.000 7.231 5.457) 9.059 31.178 ( -0.000 -9.983 6.552) 11.941 31.226 ( 0.000 7.919 -5.524) 9.655 31.288 ( -0.000 -6.991 -3.895) 8.003 33.087 ( 0.000 1.629 15.472) 15.557 33.431 ( 0.000 8.026 -17.630) 19.371 ======================= Grid point 393 (125/144) ======================= q-point: ( 0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 7.590 -0.000 9.698) 12.315 1.789 ( 4.557 -0.000 -6.143) 7.649 2.313 ( 26.046 -0.000 0.839) 26.060 2.323 ( 29.098 -0.000 -0.285) 29.099 2.546 ( -6.599 0.000 2.188) 6.953 2.592 ( -3.679 0.000 -1.982) 4.179 2.895 ( -2.804 0.000 6.773) 7.330 2.913 ( -2.943 0.000 3.293) 4.417 3.005 ( -1.973 0.000 0.666) 2.082 3.038 ( -1.122 0.000 -3.057) 3.256 3.552 ( 2.339 -0.000 8.696) 9.005 3.596 ( 3.980 -0.000 5.594) 6.866 4.371 ( -4.759 0.000 1.146) 4.895 4.414 ( -1.088 0.000 -4.874) 4.994 4.716 ( -0.283 0.000 -1.077) 1.113 4.729 ( 0.980 -0.000 -1.085) 1.462 5.848 ( -5.504 0.000 4.212) 6.931 6.051 ( -10.091 0.000 -12.337) 15.938 9.767 ( 2.784 -0.000 1.783) 3.307 9.798 ( 3.650 -0.000 -1.226) 3.850 10.627 ( 2.146 -0.000 2.644) 3.405 10.681 ( 2.336 -0.000 -2.458) 3.391 14.789 ( -1.558 0.000 3.868) 4.170 14.851 ( -3.371 0.000 -1.869) 3.855 14.897 ( -2.199 0.000 1.220) 2.514 14.952 ( -0.791 0.000 -3.931) 4.010 15.673 ( -2.743 0.000 0.051) 2.743 15.680 ( -2.179 0.000 -0.775) 2.312 22.714 ( 0.319 -0.000 0.902) 0.957 22.734 ( 0.282 -0.000 -0.999) 1.038 30.905 ( 0.689 -0.000 9.028) 9.055 31.084 ( 3.488 -0.000 -7.974) 8.703 31.885 ( 12.697 -0.000 1.851) 12.831 31.889 ( 12.051 -0.000 2.117) 12.236 32.903 ( -4.567 0.000 13.973) 14.701 33.235 ( -1.973 0.000 -17.796) 17.905 ======================= Grid point 394 (126/144) ======================= q-point: ( 0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 5.089 -5.753 6.389) 9.991 1.867 ( 0.975 -4.184 -3.818) 5.747 2.393 ( -0.277 8.043 2.766) 8.510 2.445 ( 6.485 8.996 -1.951) 11.260 2.629 ( 4.459 -2.019 2.615) 5.550 2.673 ( 10.635 -1.876 -0.970) 10.842 2.906 ( -2.423 -6.488 3.817) 7.908 2.938 ( -3.751 -7.800 1.242) 8.744 2.990 ( 2.076 0.834 0.885) 2.406 3.028 ( 1.270 -1.417 -2.371) 3.040 3.597 ( 3.355 -0.820 12.014) 12.501 3.676 ( 6.010 -1.665 5.010) 8.000 4.259 ( -3.643 4.819 3.267) 6.868 4.362 ( -1.378 5.054 -6.581) 8.412 4.700 ( -0.639 -2.186 3.805) 4.434 4.820 ( -0.303 -6.991 -6.512) 9.559 5.787 ( -5.532 -1.800 1.813) 6.093 5.935 ( -9.986 -2.570 -9.748) 14.190 9.800 ( 2.263 0.247 2.510) 3.389 9.844 ( 3.202 0.121 -1.786) 3.669 10.650 ( 2.227 0.756 2.822) 3.673 10.709 ( 2.416 0.568 -2.690) 3.660 14.763 ( -1.746 0.621 2.173) 2.856 14.797 ( -3.337 0.871 -1.227) 3.660 14.880 ( -1.802 -1.548 2.393) 3.372 14.953 ( -0.771 -1.376 -4.178) 4.466 15.644 ( -1.787 -0.351 0.458) 1.877 15.663 ( -1.245 -0.724 -1.484) 2.068 22.717 ( 0.292 0.147 0.832) 0.894 22.736 ( 0.241 0.220 -0.966) 1.020 30.933 ( 2.580 -0.568 9.495) 9.855 31.132 ( 3.710 0.378 -9.400) 10.113 31.901 ( 11.725 15.314 5.272) 19.995 31.982 ( 11.679 12.126 -1.950) 16.948 32.922 ( -3.554 -9.997 17.003) 20.042 33.303 ( -3.025 -12.270 -19.251) 23.028 ======================= Grid point 395 (127/144) ======================= q-point: ( 0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -1.709 -4.157 2.129) 4.974 1.891 ( -3.676 -1.350 -0.228) 3.923 2.314 ( 2.352 3.340 5.763) 7.064 2.428 ( 3.302 1.040 -4.631) 5.782 2.655 ( -0.972 -0.616 4.968) 5.100 2.741 ( -1.025 -0.624 -2.486) 2.760 2.891 ( -4.464 0.030 1.497) 4.708 2.920 ( -5.533 -0.704 -0.698) 5.622 3.099 ( 4.435 -4.525 2.261) 6.727 3.147 ( 3.956 -4.494 -1.904) 6.282 3.662 ( 2.219 -2.540 14.292) 14.685 3.772 ( 2.024 -2.703 3.572) 4.915 4.203 ( 4.853 2.220 3.602) 6.438 4.286 ( 3.229 5.024 -3.160) 6.757 4.734 ( -2.034 -3.880 4.275) 6.121 4.900 ( -2.059 -5.739 -9.867) 11.599 5.756 ( -4.651 -3.154 0.123) 5.621 5.860 ( -8.450 -3.788 -7.864) 12.149 9.819 ( 1.616 0.608 3.077) 3.528 9.877 ( 2.416 0.626 -2.375) 3.445 10.664 ( 2.021 1.304 2.996) 3.842 10.727 ( 2.158 1.169 -2.958) 3.843 14.728 ( -1.630 0.783 0.642) 1.919 14.744 ( -2.567 0.810 -0.883) 2.832 14.892 ( -1.259 -2.597 3.188) 4.301 14.966 ( -0.852 -1.668 -3.626) 4.081 15.635 ( -1.063 -0.860 0.975) 1.680 15.665 ( -0.644 -1.140 -2.004) 2.394 22.717 ( 0.246 0.276 0.658) 0.754 22.734 ( 0.181 0.442 -0.900) 1.019 30.982 ( 3.355 -0.424 8.310) 8.972 31.164 ( 3.150 1.717 -9.005) 9.693 31.804 ( 11.764 17.577 4.778) 21.683 31.890 ( 10.380 17.979 -2.956) 20.970 33.056 ( -2.923 -12.082 18.947) 22.661 33.456 ( -4.541 -13.875 -19.146) 24.077 ======================= Grid point 396 (128/144) ======================= q-point: ( 0.45 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -2.874 0.095 2.419) 3.757 1.868 ( -1.219 -0.427 -0.924) 1.589 2.322 ( -3.682 -3.140 7.016) 8.523 2.451 ( -6.969 -4.637 -4.786) 9.643 2.623 ( -3.578 1.651 3.789) 5.467 2.689 ( -5.571 1.041 -1.934) 5.988 2.843 ( 0.701 2.022 1.297) 2.502 2.873 ( -0.553 0.042 -0.710) 0.901 3.189 ( 0.583 -3.278 1.151) 3.523 3.216 ( 0.399 -1.333 -0.588) 1.511 3.733 ( 0.790 -5.068 12.873) 13.858 3.817 ( -0.553 -3.520 3.734) 5.161 4.290 ( 9.452 2.252 2.692) 10.083 4.307 ( 7.513 2.719 1.411) 8.113 4.750 ( -3.373 -3.257 3.966) 6.141 4.932 ( -4.150 -4.246 -11.868) 13.270 5.756 ( -3.482 -4.168 -1.055) 5.533 5.822 ( -5.997 -4.449 -6.638) 9.991 9.824 ( 0.908 1.058 3.352) 3.630 9.889 ( 1.520 1.284 -2.789) 3.426 10.665 ( 1.470 1.772 3.061) 3.831 10.730 ( 1.568 1.758 -3.137) 3.923 14.704 ( -0.803 0.058 0.003) 0.805 14.712 ( -1.145 0.004 -0.645) 1.314 14.918 ( -1.063 -2.882 2.942) 4.254 14.977 ( -0.867 -1.407 -2.603) 3.083 15.639 ( -0.607 -1.206 1.421) 1.960 15.677 ( -0.282 -1.355 -2.268) 2.657 22.716 ( 0.213 0.305 0.413) 0.555 22.728 ( 0.156 0.540 -0.788) 0.968 31.028 ( 3.017 0.173 5.493) 6.269 31.159 ( 1.902 3.564 -7.001) 8.083 31.719 ( 12.180 15.585 3.561) 20.098 31.782 ( 12.561 16.133 -2.238) 20.569 33.163 ( -4.857 -8.842 19.563) 22.011 33.566 ( -6.777 -11.006 -18.764) 22.785 ======================= Grid point 397 (129/144) ======================= q-point: (-0.45 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 1.399 -1.256 3.136) 3.656 1.883 ( 1.218 -1.447 -1.897) 2.679 2.267 ( -11.874 -3.303 4.691) 13.187 2.340 ( -15.326 -2.364 -1.873) 15.620 2.538 ( -4.728 0.911 3.533) 5.972 2.605 ( -4.337 0.793 -2.552) 5.095 2.843 ( 3.378 2.615 2.974) 5.205 2.890 ( 3.759 1.923 -1.005) 4.341 3.205 ( -2.296 -0.205 1.333) 2.663 3.230 ( -1.669 -2.547 -1.226) 3.283 3.828 ( 1.421 -4.447 11.249) 12.179 3.879 ( 1.071 -3.707 5.035) 6.343 4.336 ( 6.690 4.532 3.726) 8.898 4.368 ( 7.615 4.280 1.713) 8.902 4.749 ( -3.584 -3.131 2.943) 5.596 4.920 ( -5.744 -3.316 -12.318) 13.990 5.779 ( -2.860 -4.477 -0.787) 5.371 5.844 ( -2.976 -6.866 -6.943) 10.208 9.812 ( 0.228 1.547 3.366) 3.712 9.879 ( 0.652 1.957 -2.963) 3.610 10.650 ( 0.729 2.190 3.031) 3.810 10.717 ( 0.803 2.256 -3.229) 4.020 14.708 ( 0.324 -1.076 0.102) 1.129 14.717 ( 0.566 -1.226 -0.730) 1.535 14.946 ( -1.087 -2.760 2.212) 3.700 14.984 ( -0.799 -1.092 -1.390) 1.940 15.653 ( -0.282 -1.400 1.734) 2.246 15.696 ( -0.015 -1.429 -2.403) 2.795 22.714 ( 0.182 0.258 0.200) 0.373 22.723 ( 0.173 0.440 -0.660) 0.812 31.054 ( 1.945 0.661 1.647) 2.633 31.112 ( 0.574 4.805 -3.704) 6.094 31.671 ( 12.406 13.187 4.391) 18.630 31.753 ( 15.099 13.502 -3.303) 20.523 33.184 ( -7.498 -5.405 20.469) 22.460 33.602 ( -8.635 -7.997 -19.160) 22.486 ======================= Grid point 398 (130/144) ======================= q-point: (-0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -4.012 1.379 2.049) 4.711 1.895 ( -4.596 -0.613 -2.769) 5.401 2.160 ( -3.763 -0.733 4.626) 6.008 2.218 ( -3.650 -1.218 -0.552) 3.887 2.482 ( -5.654 -2.108 3.600) 7.027 2.546 ( -6.041 -2.523 -2.456) 6.992 2.842 ( 3.948 4.151 3.658) 6.798 2.896 ( 3.090 3.511 -1.269) 4.846 3.153 ( -4.966 0.572 3.289) 5.984 3.225 ( -3.979 -1.553 -3.883) 5.772 3.853 ( -0.319 2.920 11.904) 12.261 3.910 ( 0.206 1.793 7.127) 7.352 4.374 ( 7.637 1.995 2.811) 8.379 4.416 ( 9.005 2.771 0.222) 9.425 4.739 ( -4.523 -2.282 1.625) 5.320 4.881 ( -6.624 -2.582 -11.214) 13.278 5.816 ( -1.860 -4.959 1.354) 5.467 5.937 ( -1.459 -9.311 -8.984) 13.020 9.785 ( -0.277 1.981 3.169) 3.747 9.850 ( -0.035 2.533 -2.901) 3.851 10.621 ( 0.096 2.385 2.950) 3.795 10.687 ( 0.140 2.471 -3.263) 4.096 14.745 ( 1.438 -2.198 0.494) 2.672 14.760 ( 1.685 -2.369 -0.916) 3.048 14.966 ( -1.210 -1.722 1.760) 2.744 14.991 ( -0.730 -1.347 -0.579) 1.638 15.673 ( -0.006 -1.561 1.869) 2.434 15.719 ( 0.195 -1.425 -2.474) 2.861 22.713 ( 0.142 0.234 0.176) 0.325 22.721 ( 0.183 0.147 -0.626) 0.669 31.043 ( 0.073 4.265 0.285) 4.275 31.068 ( 0.815 0.157 -2.103) 2.261 31.643 ( 10.685 12.410 5.598) 17.306 31.758 ( 13.911 13.089 -5.178) 19.790 33.138 ( -8.402 -3.456 21.981) 23.784 33.585 ( -8.541 -5.719 -20.426) 22.867 ======================= Grid point 399 (131/144) ======================= q-point: (-0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -7.839 7.976 4.110) 11.915 1.768 ( -7.699 4.656 -5.020) 10.303 2.181 ( 3.769 4.087 4.813) 7.354 2.246 ( 4.366 1.610 -1.222) 4.811 2.463 ( -3.821 -6.176 3.800) 8.197 2.536 ( -4.806 -6.198 -3.069) 8.422 2.826 ( 3.145 4.274 3.577) 6.400 2.885 ( 2.544 2.295 -1.660) 3.807 3.062 ( -6.250 1.126 5.093) 8.140 3.168 ( -4.473 1.311 -4.744) 6.651 3.760 ( -0.689 6.963 13.133) 14.880 3.845 ( 0.060 5.978 7.161) 9.328 4.477 ( 8.932 0.181 1.861) 9.126 4.517 ( 8.706 1.183 -0.754) 8.818 4.689 ( -6.483 -0.928 1.336) 6.684 4.824 ( -6.419 -1.891 -10.456) 12.413 5.873 ( -0.826 -5.090 4.495) 6.841 6.069 ( -0.554 -10.009 -11.985) 15.624 9.749 ( -0.416 2.227 2.793) 3.597 9.807 ( -0.335 2.885 -2.632) 3.920 10.586 ( -0.177 2.150 2.878) 3.597 10.651 ( -0.167 2.214 -3.244) 3.931 14.805 ( 1.601 -2.891 0.839) 3.410 14.825 ( 1.721 -3.019 -1.034) 3.626 14.963 ( -0.998 -0.114 2.578) 2.767 15.004 ( -0.710 -1.564 -1.139) 2.061 15.699 ( 0.193 -1.841 1.760) 2.555 15.743 ( 0.280 -1.405 -2.392) 2.788 22.711 ( 0.091 0.163 0.357) 0.403 22.723 ( 0.114 -0.066 -0.713) 0.725 30.993 ( -0.153 2.027 3.936) 4.430 31.084 ( 0.312 -1.467 -4.847) 5.074 31.566 ( 5.501 13.077 6.584) 15.641 31.709 ( 7.745 13.956 -6.798) 17.348 33.088 ( -5.239 -2.865 22.973) 23.737 33.558 ( -5.190 -3.513 -21.762) 22.647 ======================= Grid point 400 (132/144) ======================= q-point: (-0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.000 12.911 6.384) 14.403 1.598 ( 0.000 10.507 -6.967) 12.607 2.077 ( 0.000 11.021 8.045) 13.645 2.222 ( 0.000 5.974 -5.720) 8.271 2.555 ( -0.000 -6.927 2.339) 7.312 2.593 ( -0.000 -4.619 -1.103) 4.749 2.818 ( -0.000 -0.880 3.454) 3.564 2.893 ( -0.000 -0.204 -3.612) 3.618 2.992 ( 0.000 0.923 7.221) 7.279 3.092 ( 0.000 4.005 -2.181) 4.561 3.661 ( 0.000 5.589 12.397) 13.599 3.760 ( 0.000 5.281 5.479) 7.610 4.548 ( 0.000 1.846 0.870) 2.041 4.568 ( 0.000 2.107 -0.994) 2.330 4.625 ( -0.000 -0.982 3.069) 3.222 4.793 ( -0.000 -0.607 -10.724) 10.742 5.937 ( -0.000 -4.002 7.587) 8.578 6.204 ( -0.000 -8.236 -15.254) 17.335 9.713 ( 0.000 2.137 2.305) 3.143 9.761 ( 0.000 2.836 -2.209) 3.595 10.557 ( 0.000 1.417 2.884) 3.213 10.622 ( 0.000 1.465 -3.152) 3.476 14.862 ( -0.000 -2.957 0.933) 3.101 14.883 ( -0.000 -2.983 -1.103) 3.181 14.947 ( 0.000 1.124 3.900) 4.059 15.016 ( -0.000 -0.681 -2.415) 2.509 15.731 ( -0.000 -2.148 1.380) 2.553 15.766 ( -0.000 -1.335 -1.982) 2.390 22.710 ( 0.000 0.105 0.575) 0.584 22.725 ( -0.000 -0.104 -0.815) 0.821 30.989 ( -0.000 -1.861 6.691) 6.945 31.123 ( -0.000 -3.640 -6.210) 7.199 31.408 ( 0.000 12.545 6.635) 14.192 31.551 ( 0.000 13.587 -6.813) 15.200 33.090 ( -0.000 -1.779 22.011) 22.083 33.553 ( -0.000 -0.192 -22.136) 22.137 ======================= Grid point 405 (133/144) ======================= q-point: ( 0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 1.404 -0.000 3.920) 4.164 1.837 ( -1.277 0.000 -3.139) 3.389 2.398 ( -3.896 0.000 5.965) 7.125 2.513 ( -3.370 0.000 -4.723) 5.802 2.659 ( -4.316 0.000 4.296) 6.089 2.727 ( -5.402 0.000 -1.081) 5.509 2.800 ( -2.933 0.000 3.585) 4.632 2.860 ( 1.387 -0.000 -2.289) 2.676 3.060 ( 7.982 -0.000 2.691) 8.424 3.102 ( 11.258 -0.000 -1.245) 11.326 3.636 ( 2.713 -0.000 12.522) 12.812 3.726 ( 2.589 -0.000 4.860) 5.506 4.259 ( -0.369 0.000 4.736) 4.750 4.394 ( 0.643 -0.000 -8.598) 8.622 4.685 ( -1.443 0.000 1.786) 2.296 4.749 ( 0.537 -0.000 -2.432) 2.490 5.703 ( -4.821 0.000 -1.582) 5.074 5.791 ( -8.299 0.000 -7.633) 11.275 9.829 ( 1.859 -0.000 3.143) 3.651 9.887 ( 2.859 -0.000 -2.338) 3.693 10.686 ( 2.197 -0.000 2.878) 3.621 10.746 ( 2.460 -0.000 -2.805) 3.731 14.744 ( -2.045 0.000 0.992) 2.273 14.757 ( -3.512 0.000 -0.453) 3.541 14.847 ( -1.118 0.000 3.344) 3.526 14.937 ( -0.229 0.000 -4.816) 4.822 15.621 ( -1.263 0.000 0.684) 1.436 15.646 ( -0.593 0.000 -1.867) 1.959 22.722 ( 0.277 -0.000 0.844) 0.889 22.741 ( 0.232 -0.000 -0.952) 0.980 30.976 ( 4.107 -0.000 10.055) 10.861 31.190 ( 4.229 -0.000 -10.398) 11.225 32.219 ( 12.488 -0.000 3.235) 12.901 32.236 ( 13.195 -0.000 1.823) 13.320 32.768 ( -5.485 0.000 15.785) 16.711 33.143 ( -4.778 0.000 -19.409) 19.989 ======================= Grid point 406 (134/144) ======================= q-point: ( 0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -3.374 -2.938 2.151) 4.964 1.819 ( -3.407 -1.796 -2.090) 4.382 2.331 ( -5.193 1.556 5.283) 7.570 2.411 ( -7.115 2.687 -1.806) 7.817 2.582 ( -8.493 -3.310 2.429) 9.433 2.622 ( -11.717 -2.628 -0.779) 12.034 2.799 ( -1.861 -3.660 3.994) 5.728 2.892 ( 3.032 -0.530 -4.459) 5.418 3.164 ( 6.857 0.773 4.540) 8.260 3.236 ( 8.857 1.957 -1.746) 9.237 3.652 ( -0.724 -0.351 12.072) 12.099 3.731 ( -3.166 -1.940 4.983) 6.214 4.307 ( 8.163 0.179 3.869) 9.035 4.405 ( 5.363 2.763 -5.097) 7.898 4.673 ( -1.038 -1.131 3.828) 4.124 4.794 ( -1.342 -4.420 -5.383) 7.093 5.660 ( -3.717 -1.886 -3.400) 5.379 5.714 ( -6.129 -2.326 -6.603) 9.305 9.848 ( 1.390 0.459 3.655) 3.937 9.917 ( 2.220 0.529 -2.924) 3.709 10.708 ( 1.968 0.887 3.022) 3.714 10.772 ( 2.200 0.830 -3.033) 3.838 14.710 ( -2.523 0.214 0.115) 2.534 14.714 ( -2.471 0.042 -0.265) 2.486 14.849 ( -0.454 -1.414 4.007) 4.273 14.942 ( -0.071 -0.737 -4.630) 4.689 15.611 ( -0.849 -0.559 1.120) 1.513 15.645 ( -0.331 -0.655 -2.243) 2.360 22.724 ( 0.231 0.178 0.762) 0.816 22.742 ( 0.185 0.271 -0.915) 0.972 31.034 ( 4.460 0.147 9.444) 10.445 31.236 ( 3.860 1.393 -9.843) 10.664 32.217 ( 11.133 16.299 4.836) 20.322 32.286 ( 10.707 14.809 -1.528) 18.338 32.824 ( -3.358 -12.890 15.972) 20.798 33.185 ( -5.512 -12.525 -17.994) 22.607 ======================= Grid point 407 (135/144) ======================= q-point: ( 0.45 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -4.010 -3.361 2.615) 5.849 1.814 ( -2.589 -3.193 -2.549) 4.837 2.196 ( -11.649 0.235 4.571) 12.516 2.269 ( -12.954 -0.794 -2.276) 13.176 2.506 ( -11.065 -2.806 3.476) 11.933 2.535 ( -8.588 -5.129 0.463) 10.014 2.862 ( 2.304 -3.695 3.450) 5.555 2.957 ( 6.632 1.118 -4.906) 8.325 3.209 ( 3.030 1.903 3.784) 5.208 3.275 ( 4.551 4.314 -2.108) 6.616 3.663 ( -1.113 -4.279 12.783) 13.526 3.734 ( -2.741 -4.658 4.465) 7.010 4.431 ( 9.151 0.331 2.490) 9.489 4.453 ( 7.085 3.098 0.804) 7.774 4.678 ( -1.370 -1.482 2.932) 3.560 4.819 ( -3.534 -3.230 -7.722) 9.086 5.656 ( -2.846 -3.312 -3.793) 5.785 5.691 ( -4.223 -3.751 -6.395) 8.533 9.852 ( 0.871 1.034 3.912) 4.139 9.929 ( 1.472 1.260 -3.339) 3.861 10.711 ( 1.479 1.731 3.119) 3.862 10.779 ( 1.645 1.727 -3.235) 4.019 14.683 ( -1.711 -0.626 0.232) 1.837 14.692 ( -1.236 -0.528 -0.598) 1.471 14.870 ( -0.408 -2.047 3.855) 4.384 14.952 ( -0.180 -0.885 -3.912) 4.015 15.614 ( -0.579 -1.083 1.541) 1.970 15.655 ( -0.213 -1.170 -2.461) 2.733 22.723 ( 0.185 0.294 0.591) 0.685 22.738 ( 0.149 0.473 -0.844) 0.979 31.082 ( 3.646 0.922 7.445) 8.340 31.244 ( 2.663 3.544 -8.023) 9.166 32.112 ( 10.290 16.026 4.922) 19.671 32.197 ( 12.536 15.907 -2.870) 20.456 32.955 ( -4.437 -10.168 15.503) 19.063 33.293 ( -7.342 -12.458 -16.356) 21.832 ======================= Grid point 408 (136/144) ======================= q-point: (-0.45 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -3.301 -4.784 2.524) 6.337 1.831 ( -3.906 -3.338 -2.918) 5.909 2.068 ( -9.121 -3.747 3.730) 10.542 2.120 ( -10.440 -3.184 -1.156) 10.976 2.412 ( -9.241 -2.821 5.680) 11.207 2.491 ( -7.616 -3.292 -1.503) 8.432 2.939 ( 4.021 -0.321 3.844) 5.572 3.016 ( 6.552 3.172 -2.838) 7.814 3.198 ( -0.255 1.704 1.544) 2.313 3.241 ( 1.229 5.377 -2.244) 5.955 3.756 ( 0.919 -7.514 12.379) 14.510 3.807 ( -0.036 -7.244 4.858) 8.722 4.469 ( 3.433 3.738 4.616) 6.861 4.518 ( 6.900 2.755 1.140) 7.516 4.682 ( -0.772 -0.922 1.030) 1.583 4.799 ( -5.151 -2.245 -8.439) 10.139 5.678 ( -2.245 -4.181 -3.106) 5.672 5.713 ( -2.481 -5.486 -6.984) 9.221 9.840 ( 0.372 1.629 3.915) 4.257 9.919 ( 0.750 2.020 -3.505) 4.114 10.696 ( 0.823 2.442 3.121) 4.047 10.765 ( 0.926 2.511 -3.355) 4.292 14.686 ( -0.447 -1.719 0.472) 1.838 14.700 ( -0.026 -1.670 -0.825) 1.863 14.896 ( -0.573 -2.289 3.299) 4.056 14.962 ( -0.330 -0.813 -2.910) 3.040 15.627 ( -0.350 -1.463 1.867) 2.398 15.673 ( -0.105 -1.517 -2.568) 2.984 22.721 ( 0.139 0.306 0.387) 0.513 22.732 ( 0.128 0.525 -0.743) 0.919 31.100 ( 2.093 1.734 4.204) 5.006 31.202 ( 1.171 5.499 -5.354) 7.764 32.034 ( 10.627 13.708 6.587) 18.553 32.163 ( 14.423 13.846 -5.304) 20.684 32.994 ( -7.254 -6.154 16.722) 19.239 33.348 ( -8.729 -9.918 -16.497) 21.136 ======================= Grid point 409 (137/144) ======================= q-point: (-0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -6.365 -2.486 0.126) 6.834 1.776 ( -7.501 -1.456 -1.095) 7.719 2.104 ( 2.566 -6.896 4.349) 8.547 2.161 ( 3.132 -7.131 -0.751) 7.824 2.341 ( -8.098 -3.190 5.382) 10.234 2.426 ( -6.692 -0.826 -1.900) 7.006 2.977 ( 4.648 2.482 4.548) 6.960 3.028 ( 4.846 5.869 -0.108) 7.612 3.142 ( -2.431 6.095 -0.620) 6.592 3.165 ( -3.116 0.243 -3.133) 4.426 3.860 ( 0.705 -3.245 12.244) 12.686 3.904 ( 0.545 -3.705 6.469) 7.475 4.469 ( 3.030 0.475 4.581) 5.513 4.563 ( 7.001 2.310 -0.889) 7.426 4.671 ( -1.937 0.394 -0.050) 1.978 4.751 ( -6.629 -1.891 -7.731) 10.358 5.720 ( -1.260 -4.818 -1.761) 5.282 5.787 ( -1.238 -7.910 -7.886) 11.238 9.815 ( 0.028 2.123 3.697) 4.264 9.891 ( 0.199 2.656 -3.416) 4.332 10.663 ( 0.250 2.849 3.041) 4.175 10.731 ( 0.296 2.965 -3.391) 4.515 14.719 ( 0.361 -2.738 0.731) 2.857 14.738 ( 0.647 -2.746 -0.995) 2.992 14.921 ( -0.608 -2.211 2.631) 3.490 14.968 ( -0.340 -0.767 -1.807) 1.992 15.647 ( -0.136 -1.689 2.049) 2.659 15.696 ( -0.005 -1.681 -2.621) 3.114 22.718 ( 0.081 0.260 0.233) 0.358 22.727 ( 0.091 0.390 -0.646) 0.760 31.092 ( 0.767 1.638 0.561) 1.894 31.123 ( 0.259 5.965 -2.228) 6.373 31.965 ( 7.501 13.340 8.028) 17.282 32.135 ( 10.599 14.201 -7.849) 19.381 32.971 ( -6.660 -4.646 19.905) 21.498 33.375 ( -6.336 -8.310 -18.271) 21.048 ======================= Grid point 410 (138/144) ======================= q-point: (-0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.000 3.264 1.711) 3.685 1.744 ( -0.000 -0.245 -2.470) 2.483 2.266 ( 0.000 0.809 5.643) 5.701 2.288 ( -0.000 -10.200 3.827) 10.894 2.336 ( 0.000 3.743 -0.522) 3.780 2.359 ( -0.000 -10.136 -2.782) 10.510 2.959 ( 0.000 7.919 1.212) 8.012 2.987 ( 0.000 7.223 -1.374) 7.352 3.014 ( 0.000 0.218 6.676) 6.680 3.144 ( -0.000 -0.213 -5.958) 5.962 3.847 ( 0.000 4.637 12.788) 13.603 3.913 ( 0.000 2.613 7.971) 8.388 4.538 ( -0.000 -4.135 3.767) 5.593 4.608 ( 0.000 2.076 1.146) 2.371 4.634 ( 0.000 2.290 -1.376) 2.672 4.714 ( -0.000 -3.873 -10.475) 11.168 5.788 ( -0.000 -5.406 0.895) 5.479 5.912 ( -0.000 -9.996 -9.565) 13.835 9.781 ( 0.000 2.372 3.297) 4.062 9.849 ( 0.000 3.006 -3.102) 4.320 10.622 ( 0.000 2.774 2.930) 4.035 10.689 ( 0.000 2.891 -3.350) 4.425 14.768 ( -0.000 -3.227 0.871) 3.342 14.789 ( -0.000 -3.254 -1.085) 3.430 14.945 ( -0.000 -1.467 2.211) 2.654 14.979 ( -0.000 -1.094 -0.947) 1.447 15.672 ( -0.000 -1.833 2.027) 2.733 15.721 ( -0.000 -1.665 -2.596) 3.084 22.715 ( 0.000 0.228 0.223) 0.319 22.724 ( 0.000 0.126 -0.630) 0.642 31.044 ( 0.000 4.737 0.969) 4.835 31.080 ( 0.000 0.467 -2.661) 2.701 31.813 ( 0.000 14.209 8.090) 16.351 31.989 ( 0.000 15.406 -8.499) 17.595 32.991 ( -0.000 -4.531 22.503) 22.955 33.442 ( -0.000 -6.674 -20.379) 21.444 ======================= Grid point 417 (139/144) ======================= q-point: ( 0.36 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -4.513 0.000 2.399) 5.111 1.754 ( -3.930 0.000 -3.111) 5.012 2.218 ( -13.785 0.000 4.308) 14.442 2.302 ( -15.353 0.000 -3.647) 15.780 2.409 ( -8.424 0.000 3.036) 8.954 2.450 ( -8.887 0.000 -0.089) 8.887 2.770 ( 1.467 -0.000 8.285) 8.414 2.936 ( 4.315 -0.000 -7.213) 8.406 3.259 ( 5.246 -0.000 6.201) 8.122 3.358 ( 6.235 -0.000 -1.530) 6.420 3.629 ( -2.775 0.000 7.655) 8.143 3.647 ( -5.469 0.000 7.407) 9.208 4.430 ( 9.886 -0.000 3.363) 10.442 4.505 ( 6.550 -0.000 -3.607) 7.477 4.662 ( 0.049 -0.000 3.114) 3.114 4.755 ( -0.134 0.000 -2.761) 2.764 5.605 ( -2.608 0.000 -5.624) 6.200 5.631 ( -3.940 0.000 -6.204) 7.349 9.868 ( 1.070 -0.000 4.116) 4.253 9.948 ( 1.741 -0.000 -3.460) 3.873 10.739 ( 1.683 -0.000 3.125) 3.549 10.806 ( 1.917 -0.000 -3.201) 3.731 14.673 ( -2.605 0.000 0.394) 2.634 14.684 ( -2.101 0.000 -0.654) 2.200 14.838 ( 0.174 -0.000 4.532) 4.535 14.939 ( 0.291 -0.000 -4.945) 4.953 15.597 ( -0.662 0.000 1.406) 1.554 15.637 ( -0.241 0.000 -2.492) 2.504 22.728 ( 0.183 -0.000 0.783) 0.804 22.746 ( 0.145 -0.000 -0.908) 0.919 31.097 ( 4.505 -0.000 9.812) 10.797 31.299 ( 3.747 -0.000 -9.510) 10.222 32.525 ( 9.713 -0.000 1.395) 9.812 32.538 ( 5.968 -0.000 0.375) 5.980 32.639 ( -1.009 0.000 16.393) 16.424 33.001 ( -5.180 0.000 -17.701) 18.443 ======================= Grid point 418 (140/144) ======================= q-point: ( 0.45 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -4.345 -2.601 2.968) 5.870 1.724 ( -3.586 -2.621 -3.765) 5.823 2.008 ( -15.509 -0.647 3.482) 15.908 2.073 ( -15.904 -0.272 -2.647) 16.125 2.337 ( -6.667 -1.887 3.425) 7.730 2.378 ( -5.645 -2.627 0.159) 6.228 2.831 ( 2.558 -4.082 8.405) 9.687 3.012 ( 4.100 -2.279 -8.082) 9.344 3.293 ( 2.900 2.675 5.915) 7.110 3.399 ( 3.782 3.382 -2.861) 5.825 3.588 ( -2.491 -2.053 10.683) 11.160 3.624 ( -3.440 -3.759 5.563) 7.543 4.549 ( 6.924 0.950 2.990) 7.602 4.567 ( 4.884 1.370 1.674) 5.342 4.676 ( 2.198 0.077 0.433) 2.242 4.757 ( -1.436 -0.831 -3.484) 3.859 5.588 ( -1.819 -1.638 -6.033) 6.511 5.604 ( -2.431 -1.994 -6.509) 7.229 9.875 ( 0.675 0.633 4.354) 4.451 9.962 ( 1.121 0.771 -3.819) 4.054 10.751 ( 1.177 1.056 3.214) 3.582 10.820 ( 1.344 1.068 -3.365) 3.777 14.649 ( -1.668 -0.703 0.611) 1.910 14.665 ( -1.350 -0.644 -0.890) 1.741 14.848 ( 0.159 -0.853 4.515) 4.598 14.945 ( 0.223 -0.282 -4.673) 4.687 15.594 ( -0.468 -0.635 1.698) 1.872 15.639 ( -0.188 -0.671 -2.646) 2.736 22.729 ( 0.128 0.177 0.711) 0.743 22.745 ( 0.102 0.270 -0.876) 0.922 31.144 ( 3.385 0.945 9.021) 9.681 31.326 ( 2.686 2.403 -8.284) 9.034 32.417 ( 3.000 11.363 7.553) 13.970 32.542 ( 8.275 10.732 -4.025) 14.137 32.781 ( 0.430 -7.878 9.840) 12.612 33.035 ( -5.121 -10.018 -13.510) 17.581 ======================= Grid point 419 (141/144) ======================= q-point: (-0.45 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -4.659 -3.912 2.612) 6.620 1.708 ( -5.669 -2.759 -3.507) 7.214 1.903 ( -5.569 -5.673 3.170) 8.558 1.958 ( -5.460 -5.328 -1.939) 7.871 2.280 ( -4.845 -1.074 6.069) 7.839 2.360 ( -3.901 -3.155 -1.163) 5.151 2.931 ( 1.697 -4.672 7.030) 8.609 3.089 ( 2.587 -1.489 -6.859) 7.480 3.262 ( 1.033 4.893 4.883) 6.990 3.364 ( 1.889 6.368 -4.536) 8.044 3.643 ( -0.249 -7.491 11.870) 14.038 3.677 ( -1.217 -7.996 5.597) 9.836 4.541 ( 0.431 3.399 6.172) 7.059 4.631 ( 5.173 1.579 0.693) 5.453 4.701 ( 1.903 1.097 -1.245) 2.525 4.732 ( -2.884 0.187 -3.987) 4.924 5.603 ( -1.083 -2.950 -4.978) 5.887 5.622 ( -1.201 -3.622 -7.372) 8.301 9.867 ( 0.278 1.300 4.350) 4.548 9.955 ( 0.493 1.592 -3.931) 4.270 10.739 ( 0.546 2.039 3.227) 3.856 10.810 ( 0.624 2.096 -3.458) 4.092 14.652 ( -0.600 -1.728 0.753) 1.979 14.670 ( -0.403 -1.705 -1.008) 2.021 14.865 ( -0.041 -1.378 4.141) 4.364 14.952 ( 0.027 -0.365 -4.017) 4.033 15.603 ( -0.234 -1.188 1.932) 2.280 15.651 ( -0.095 -1.235 -2.702) 2.973 22.726 ( 0.069 0.284 0.568) 0.639 22.741 ( 0.060 0.453 -0.818) 0.937 31.154 ( 1.517 2.105 6.825) 7.302 31.296 ( 1.084 4.951 -6.584) 8.308 32.315 ( 4.331 9.844 9.095) 14.085 32.504 ( 8.782 10.324 -8.207) 15.845 32.839 ( -3.711 -3.894 11.932) 13.088 33.105 ( -5.290 -9.290 -12.646) 16.559 ======================= Grid point 420 (142/144) ======================= q-point: (-0.36 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -0.000 -3.979 1.208) 4.158 1.696 ( -0.000 -2.202 -2.134) 3.066 1.993 ( -0.000 -9.248 3.474) 9.879 2.055 ( -0.000 -9.670 -2.389) 9.961 2.253 ( -0.000 -0.644 8.152) 8.177 2.367 ( -0.000 -1.621 -2.166) 2.706 2.996 ( -0.000 -2.353 6.040) 6.482 3.123 ( -0.000 -0.725 -5.166) 5.216 3.178 ( 0.000 6.957 3.841) 7.947 3.262 ( 0.000 8.902 -4.011) 9.764 3.771 ( -0.000 -8.632 12.115) 14.876 3.809 ( -0.000 -9.194 4.939) 10.437 4.497 ( 0.000 2.228 6.443) 6.818 4.664 ( 0.000 1.607 1.362) 2.107 4.669 ( 0.000 1.155 -6.321) 6.426 4.696 ( 0.000 1.762 -1.690) 2.442 5.647 ( -0.000 -4.003 -3.746) 5.482 5.680 ( -0.000 -5.503 -7.647) 9.421 9.845 ( 0.000 1.850 4.119) 4.515 9.929 ( 0.000 2.282 -3.786) 4.421 10.707 ( 0.000 2.707 3.157) 4.158 10.777 ( 0.000 2.805 -3.465) 4.458 14.681 ( -0.000 -2.565 0.830) 2.696 14.701 ( -0.000 -2.579 -1.066) 2.791 14.888 ( -0.000 -1.809 3.510) 3.949 14.957 ( -0.000 -0.487 -3.059) 3.097 15.622 ( -0.000 -1.547 2.063) 2.579 15.671 ( -0.000 -1.591 -2.690) 3.125 22.722 ( 0.000 0.296 0.391) 0.491 22.734 ( 0.000 0.499 -0.734) 0.887 31.129 ( 0.000 2.409 3.737) 4.446 31.218 ( 0.000 6.248 -4.555) 7.732 32.200 ( 0.000 11.283 9.570) 14.795 32.411 ( 0.000 12.385 -10.307) 16.112 32.856 ( -0.000 -3.970 17.104) 17.558 33.199 ( -0.000 -9.119 -15.296) 17.808 ======================= Grid point 429 (143/144) ======================= q-point: ( 0.45 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -3.184 0.000 3.340) 4.615 1.660 ( -2.946 0.000 -4.153) 5.091 1.813 ( -10.607 0.000 3.413) 11.142 1.877 ( -10.598 0.000 -2.601) 10.912 2.267 ( -2.843 0.000 2.739) 3.948 2.305 ( -2.804 0.000 -0.054) 2.805 2.827 ( 1.620 -0.000 10.152) 10.280 3.031 ( 2.116 -0.000 -8.775) 9.026 3.342 ( 1.317 -0.000 6.031) 6.173 3.461 ( 2.038 -0.000 -3.697) 4.221 3.545 ( -1.850 0.000 9.223) 9.406 3.555 ( -2.015 0.000 7.552) 7.817 4.606 ( 0.760 -0.000 4.633) 4.695 4.649 ( 5.683 -0.000 1.676) 5.925 4.717 ( 2.862 -0.000 -1.648) 3.302 4.737 ( -1.422 0.000 -1.433) 2.019 5.559 ( -0.881 0.000 -7.440) 7.492 5.566 ( -1.150 0.000 -6.360) 6.463 9.887 ( 0.356 -0.000 4.586) 4.600 9.979 ( 0.586 -0.000 -4.106) 4.148 10.771 ( 0.640 -0.000 3.290) 3.351 10.843 ( 0.736 -0.000 -3.470) 3.547 14.625 ( -0.936 0.000 0.783) 1.220 14.644 ( -0.801 0.000 -1.024) 1.300 14.845 ( 0.180 -0.000 4.750) 4.754 14.946 ( 0.191 -0.000 -4.878) 4.881 15.584 ( -0.264 0.000 1.831) 1.850 15.631 ( -0.118 0.000 -2.757) 2.759 22.731 ( 0.065 -0.000 0.743) 0.746 22.748 ( 0.050 -0.000 -0.880) 0.882 31.190 ( 2.033 -0.000 9.707) 9.918 31.375 ( 1.673 -0.000 -7.940) 8.114 32.486 ( -2.416 0.000 10.649) 10.920 32.694 ( 2.595 -0.000 -8.297) 8.693 32.776 ( 3.902 -0.000 4.839) 6.216 32.909 ( -1.264 0.000 -8.414) 8.508 ======================= Grid point 430 (144/144) ======================= q-point: (-0.45 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.000 -1.732 3.123) 3.571 1.641 ( -0.000 -0.850 -3.618) 3.717 1.778 ( -0.000 -4.623 3.102) 5.568 1.838 ( -0.000 -4.191 -2.476) 4.868 2.247 ( 0.000 0.098 3.961) 3.962 2.299 ( -0.000 -1.768 -0.417) 1.817 2.872 ( -0.000 -4.175 9.342) 10.232 3.070 ( -0.000 -2.724 -8.632) 9.051 3.329 ( 0.000 2.798 5.631) 6.288 3.451 ( 0.000 3.421 -5.760) 6.699 3.555 ( -0.000 -3.543 10.864) 11.427 3.574 ( -0.000 -4.343 8.035) 9.133 4.590 ( 0.000 2.576 5.763) 6.312 4.697 ( 0.000 0.604 1.488) 1.606 4.709 ( 0.000 0.730 -2.127) 2.249 4.733 ( 0.000 0.660 -1.874) 1.987 5.563 ( -0.000 -1.450 -6.524) 6.683 5.573 ( -0.000 -1.938 -7.175) 7.432 9.884 ( 0.000 0.702 4.584) 4.637 9.977 ( 0.000 0.853 -4.145) 4.232 10.767 ( 0.000 1.135 3.295) 3.485 10.839 ( 0.000 1.166 -3.504) 3.693 14.626 ( -0.000 -1.001 0.828) 1.299 14.646 ( -0.000 -0.997 -1.059) 1.454 14.851 ( -0.000 -0.651 4.617) 4.663 14.949 ( -0.000 -0.129 -4.650) 4.652 15.587 ( -0.000 -0.663 1.915) 2.027 15.636 ( -0.000 -0.690 -2.773) 2.858 22.730 ( 0.000 0.175 0.692) 0.714 22.747 ( 0.000 0.262 -0.862) 0.901 31.193 ( 0.000 1.419 8.917) 9.029 31.364 ( 0.000 2.952 -7.368) 7.938 32.438 ( 0.000 4.313 10.599) 11.443 32.674 ( 0.000 4.788 -11.601) 12.550 32.795 ( 0.000 0.142 7.526) 7.528 32.955 ( -0.000 -6.249 -7.592) 9.833 =================== 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 3/30492 10.0 252.326 252.050 225.725 0.000 0.000 -0.000 3/30492 20.0 45.020 37.005 39.868 0.000 0.000 -0.000 3/30492 30.0 18.480 14.486 15.679 0.000 0.000 -0.000 3/30492 40.0 10.521 8.258 8.950 0.000 0.000 -0.000 3/30492 50.0 7.147 5.663 6.139 0.000 0.000 -0.000 3/30492 60.0 5.385 4.306 4.677 0.000 0.000 -0.000 3/30492 70.0 4.332 3.491 3.810 0.000 0.000 -0.000 3/30492 80.0 3.641 2.955 3.248 0.000 0.000 -0.000 3/30492 90.0 3.157 2.577 2.861 0.000 0.000 -0.000 3/30492 100.0 2.799 2.298 2.579 0.000 0.000 -0.000 3/30492 110.0 2.523 2.083 2.366 0.000 0.000 -0.000 3/30492 120.0 2.304 1.911 2.197 0.000 0.000 -0.000 3/30492 130.0 2.124 1.771 2.060 0.000 0.000 -0.000 3/30492 140.0 1.974 1.654 1.945 0.000 0.000 -0.000 3/30492 150.0 1.846 1.554 1.847 0.000 0.000 -0.000 3/30492 160.0 1.736 1.467 1.762 0.000 0.000 -0.000 3/30492 170.0 1.639 1.391 1.686 0.000 0.000 -0.000 3/30492 180.0 1.554 1.324 1.618 0.000 0.000 -0.000 3/30492 190.0 1.477 1.264 1.557 0.000 0.000 -0.000 3/30492 200.0 1.409 1.209 1.501 0.000 0.000 -0.000 3/30492 210.0 1.347 1.160 1.449 0.000 0.000 -0.000 3/30492 220.0 1.291 1.116 1.402 0.000 0.000 -0.000 3/30492 230.0 1.239 1.075 1.358 0.000 0.000 -0.000 3/30492 240.0 1.192 1.037 1.317 0.000 0.000 -0.000 3/30492 250.0 1.149 1.003 1.279 0.000 0.000 -0.000 3/30492 260.0 1.109 0.971 1.243 0.000 0.000 -0.000 3/30492 270.0 1.071 0.941 1.210 0.000 0.000 -0.000 3/30492 280.0 1.037 0.913 1.178 0.000 0.000 -0.000 3/30492 290.0 1.004 0.887 1.149 0.000 0.000 -0.000 3/30492 300.0 0.974 0.863 1.120 0.000 0.000 -0.000 3/30492 310.0 0.946 0.840 1.094 0.000 0.000 -0.000 3/30492 320.0 0.919 0.818 1.069 0.000 0.000 -0.000 3/30492 330.0 0.894 0.798 1.045 0.000 0.000 -0.000 3/30492 340.0 0.871 0.779 1.022 0.000 0.000 -0.000 3/30492 350.0 0.849 0.761 1.000 0.000 0.000 -0.000 3/30492 360.0 0.827 0.744 0.980 0.000 0.000 -0.000 3/30492 370.0 0.807 0.727 0.960 0.000 0.000 -0.000 3/30492 380.0 0.789 0.712 0.941 0.000 0.000 -0.000 3/30492 390.0 0.771 0.697 0.923 0.000 0.000 -0.000 3/30492 400.0 0.753 0.683 0.906 0.000 0.000 -0.000 3/30492 410.0 0.737 0.670 0.889 0.000 0.000 -0.000 3/30492 420.0 0.721 0.657 0.873 0.000 0.000 -0.000 3/30492 430.0 0.706 0.644 0.858 0.000 0.000 -0.000 3/30492 440.0 0.692 0.633 0.843 0.000 0.000 -0.000 3/30492 450.0 0.679 0.621 0.829 0.000 0.000 -0.000 3/30492 460.0 0.665 0.610 0.815 0.000 0.000 -0.000 3/30492 470.0 0.653 0.600 0.802 0.000 0.000 -0.000 3/30492 480.0 0.641 0.590 0.789 0.000 0.000 -0.000 3/30492 490.0 0.629 0.580 0.777 0.000 0.000 -0.000 3/30492 500.0 0.618 0.571 0.765 0.000 0.000 -0.000 3/30492 510.0 0.607 0.562 0.754 0.000 0.000 -0.000 3/30492 520.0 0.597 0.553 0.742 0.000 0.000 -0.000 3/30492 530.0 0.587 0.545 0.732 0.000 0.000 -0.000 3/30492 540.0 0.577 0.537 0.721 0.000 0.000 -0.000 3/30492 550.0 0.568 0.529 0.711 0.000 0.000 -0.000 3/30492 560.0 0.559 0.521 0.701 0.000 0.000 -0.000 3/30492 570.0 0.550 0.514 0.691 0.000 0.000 -0.000 3/30492 580.0 0.542 0.506 0.682 0.000 0.000 -0.000 3/30492 590.0 0.534 0.499 0.673 0.000 0.000 -0.000 3/30492 600.0 0.526 0.493 0.664 0.000 0.000 -0.000 3/30492 610.0 0.518 0.486 0.655 0.000 0.000 -0.000 3/30492 620.0 0.511 0.480 0.647 0.000 0.000 -0.000 3/30492 630.0 0.503 0.473 0.639 0.000 0.000 -0.000 3/30492 640.0 0.496 0.467 0.631 0.000 0.000 -0.000 3/30492 650.0 0.490 0.462 0.623 0.000 0.000 -0.000 3/30492 660.0 0.483 0.456 0.615 0.000 0.000 -0.000 3/30492 670.0 0.476 0.450 0.608 0.000 0.000 -0.000 3/30492 680.0 0.470 0.445 0.601 0.000 0.000 -0.000 3/30492 690.0 0.464 0.440 0.594 0.000 0.000 -0.000 3/30492 700.0 0.458 0.434 0.587 0.000 0.000 -0.000 3/30492 710.0 0.452 0.429 0.580 0.000 0.000 -0.000 3/30492 720.0 0.447 0.424 0.574 0.000 0.000 -0.000 3/30492 730.0 0.441 0.420 0.567 0.000 0.000 -0.000 3/30492 740.0 0.436 0.415 0.561 0.000 0.000 -0.000 3/30492 750.0 0.431 0.410 0.555 0.000 0.000 -0.000 3/30492 760.0 0.426 0.406 0.549 0.000 0.000 -0.000 3/30492 770.0 0.421 0.401 0.543 0.000 0.000 -0.000 3/30492 780.0 0.416 0.397 0.537 0.000 0.000 -0.000 3/30492 790.0 0.411 0.393 0.532 0.000 0.000 -0.000 3/30492 800.0 0.407 0.389 0.526 0.000 0.000 -0.000 3/30492 810.0 0.402 0.385 0.521 0.000 0.000 -0.000 3/30492 820.0 0.398 0.381 0.516 0.000 0.000 -0.000 3/30492 830.0 0.393 0.377 0.510 0.000 0.000 -0.000 3/30492 840.0 0.389 0.373 0.505 0.000 0.000 -0.000 3/30492 850.0 0.385 0.370 0.500 0.000 0.000 -0.000 3/30492 860.0 0.381 0.366 0.496 0.000 0.000 -0.000 3/30492 870.0 0.377 0.363 0.491 0.000 0.000 -0.000 3/30492 880.0 0.373 0.359 0.486 0.000 0.000 -0.000 3/30492 890.0 0.369 0.356 0.482 0.000 0.000 -0.000 3/30492 900.0 0.366 0.352 0.477 0.000 0.000 -0.000 3/30492 910.0 0.362 0.349 0.473 0.000 0.000 -0.000 3/30492 920.0 0.358 0.346 0.468 0.000 0.000 -0.000 3/30492 930.0 0.355 0.343 0.464 0.000 0.000 -0.000 3/30492 940.0 0.351 0.340 0.460 0.000 0.000 -0.000 3/30492 950.0 0.348 0.337 0.456 0.000 0.000 -0.000 3/30492 960.0 0.345 0.334 0.452 0.000 0.000 -0.000 3/30492 970.0 0.342 0.331 0.448 0.000 0.000 -0.000 3/30492 980.0 0.338 0.328 0.444 0.000 0.000 -0.000 3/30492 990.0 0.335 0.325 0.440 0.000 0.000 -0.000 3/30492 1000.0 0.332 0.322 0.436 0.000 0.000 -0.000 3/30492 Thermal conductivity related properties were written into "kappa-m11117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:36:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|