----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:41:03]------------------------- 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 3 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.888149964576569 -2.845465375000000 0.000000000000000 b 2.888149964576569 2.845465375000000 0.000000000000000 c -1.858635729678633 0.000000000000000 5.493131422154046 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 *2 N 0.15996080837997 0.15996080837997 0.20354091551059 14.007 3 N 0.84003919162003 0.84003919162003 0.79645908448941 14.007 *4 K 0.32299803888744 0.32299803888744 0.71064750413078 39.098 5 K 0.67700196111256 0.67700196111256 0.28935249586922 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.776299929153137 0.000000000000000 0.000000000000000 b 0.000000000000000 5.690930750000000 0.000000000000000 c -1.858635729678633 0.000000000000000 5.493131422154046 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 1 *3 N 0.65996080837997 0.50000000000000 0.20354091551059 14.007 > 2 4 N 0.34003919162003 0.50000000000000 0.79645908448941 14.007 > 3 5 N 0.15996080837997 0.00000000000000 0.20354091551059 14.007 > 2 6 N 0.84003919162003 0.00000000000000 0.79645908448941 14.007 > 3 *7 K 0.82299803888744 0.50000000000000 0.71064750413078 39.098 > 4 8 K 0.17700196111256 0.50000000000000 0.28935249586922 39.098 > 5 9 K 0.32299803888744 0.00000000000000 0.71064750413078 39.098 > 4 10 K 0.67700196111256 0.00000000000000 0.28935249586922 39.098 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.552599858306275 0.000000000000000 0.000000000000000 b 0.000000000000000 17.072792249999999 0.000000000000000 c -3.717271459357266 0.000000000000000 10.986262844308092 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 1 3 C 0.00000000000000 0.33333333333333 0.00000000000000 12.011 > 1 4 C 0.50000000000000 0.33333333333333 0.00000000000000 12.011 > 1 5 C 0.00000000000000 0.66666666666667 0.00000000000000 12.011 > 1 6 C 0.50000000000000 0.66666666666667 0.00000000000000 12.011 > 1 7 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 8 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 1 9 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 10 C 0.50000000000000 0.33333333333333 0.50000000000000 12.011 > 1 11 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 12 C 0.50000000000000 0.66666666666667 0.50000000000000 12.011 > 1 13 C 0.25000000000000 0.16666666666667 0.00000000000000 12.011 > 1 14 C 0.75000000000000 0.16666666666667 0.00000000000000 12.011 > 1 15 C 0.25000000000000 0.50000000000000 0.00000000000000 12.011 > 1 16 C 0.75000000000000 0.50000000000000 0.00000000000000 12.011 > 1 17 C 0.25000000000000 0.83333333333333 0.00000000000000 12.011 > 1 18 C 0.75000000000000 0.83333333333333 0.00000000000000 12.011 > 1 19 C 0.25000000000000 0.16666666666667 0.50000000000000 12.011 > 1 20 C 0.75000000000000 0.16666666666667 0.50000000000000 12.011 > 1 21 C 0.25000000000000 0.50000000000000 0.50000000000000 12.011 > 1 22 C 0.75000000000000 0.50000000000000 0.50000000000000 12.011 > 1 23 C 0.25000000000000 0.83333333333333 0.50000000000000 12.011 > 1 24 C 0.75000000000000 0.83333333333333 0.50000000000000 12.011 > 1 *25 N 0.32998040418998 0.16666666666667 0.10177045775530 14.007 > 2 26 N 0.82998040418998 0.16666666666667 0.10177045775530 14.007 > 2 27 N 0.32998040418998 0.50000000000000 0.10177045775530 14.007 > 2 28 N 0.82998040418998 0.50000000000000 0.10177045775530 14.007 > 2 29 N 0.32998040418998 0.83333333333333 0.10177045775530 14.007 > 2 30 N 0.82998040418998 0.83333333333333 0.10177045775530 14.007 > 2 31 N 0.32998040418998 0.16666666666667 0.60177045775530 14.007 > 2 32 N 0.82998040418998 0.16666666666667 0.60177045775530 14.007 > 2 33 N 0.32998040418998 0.50000000000000 0.60177045775530 14.007 > 2 34 N 0.82998040418998 0.50000000000000 0.60177045775530 14.007 > 2 35 N 0.32998040418998 0.83333333333333 0.60177045775530 14.007 > 2 36 N 0.82998040418998 0.83333333333333 0.60177045775530 14.007 > 2 37 N 0.17001959581002 0.16666666666667 0.39822954224471 14.007 > 3 38 N 0.67001959581002 0.16666666666667 0.39822954224471 14.007 > 3 39 N 0.17001959581002 0.50000000000000 0.39822954224471 14.007 > 3 40 N 0.67001959581002 0.50000000000000 0.39822954224471 14.007 > 3 41 N 0.17001959581002 0.83333333333333 0.39822954224471 14.007 > 3 42 N 0.67001959581002 0.83333333333333 0.39822954224471 14.007 > 3 43 N 0.17001959581002 0.16666666666667 0.89822954224471 14.007 > 3 44 N 0.67001959581002 0.16666666666667 0.89822954224471 14.007 > 3 45 N 0.17001959581002 0.50000000000000 0.89822954224471 14.007 > 3 46 N 0.67001959581002 0.50000000000000 0.89822954224471 14.007 > 3 47 N 0.17001959581002 0.83333333333333 0.89822954224471 14.007 > 3 48 N 0.67001959581002 0.83333333333333 0.89822954224471 14.007 > 3 49 N 0.07998040418998 0.00000000000000 0.10177045775530 14.007 > 2 50 N 0.57998040418998 0.00000000000000 0.10177045775530 14.007 > 2 51 N 0.07998040418998 0.33333333333333 0.10177045775530 14.007 > 2 52 N 0.57998040418998 0.33333333333333 0.10177045775530 14.007 > 2 53 N 0.07998040418998 0.66666666666667 0.10177045775530 14.007 > 2 54 N 0.57998040418998 0.66666666666667 0.10177045775530 14.007 > 2 55 N 0.07998040418998 0.00000000000000 0.60177045775530 14.007 > 2 56 N 0.57998040418998 0.00000000000000 0.60177045775530 14.007 > 2 57 N 0.07998040418998 0.33333333333333 0.60177045775530 14.007 > 2 58 N 0.57998040418998 0.33333333333333 0.60177045775530 14.007 > 2 59 N 0.07998040418998 0.66666666666667 0.60177045775530 14.007 > 2 60 N 0.57998040418998 0.66666666666667 0.60177045775530 14.007 > 2 61 N 0.42001959581002 0.00000000000000 0.39822954224471 14.007 > 3 62 N 0.92001959581002 0.00000000000000 0.39822954224471 14.007 > 3 63 N 0.42001959581002 0.33333333333333 0.39822954224471 14.007 > 3 64 N 0.92001959581002 0.33333333333333 0.39822954224471 14.007 > 3 65 N 0.42001959581002 0.66666666666667 0.39822954224471 14.007 > 3 66 N 0.92001959581002 0.66666666666667 0.39822954224471 14.007 > 3 67 N 0.42001959581002 0.00000000000000 0.89822954224471 14.007 > 3 68 N 0.92001959581002 0.00000000000000 0.89822954224471 14.007 > 3 69 N 0.42001959581002 0.33333333333333 0.89822954224471 14.007 > 3 70 N 0.92001959581002 0.33333333333333 0.89822954224471 14.007 > 3 71 N 0.42001959581002 0.66666666666667 0.89822954224471 14.007 > 3 72 N 0.92001959581002 0.66666666666667 0.89822954224471 14.007 > 3 *73 K 0.41149901944372 0.16666666666667 0.35532375206539 39.098 > 4 74 K 0.91149901944372 0.16666666666667 0.35532375206539 39.098 > 4 75 K 0.41149901944372 0.50000000000000 0.35532375206539 39.098 > 4 76 K 0.91149901944372 0.50000000000000 0.35532375206539 39.098 > 4 77 K 0.41149901944372 0.83333333333333 0.35532375206539 39.098 > 4 78 K 0.91149901944372 0.83333333333333 0.35532375206539 39.098 > 4 79 K 0.41149901944372 0.16666666666667 0.85532375206539 39.098 > 4 80 K 0.91149901944372 0.16666666666667 0.85532375206539 39.098 > 4 81 K 0.41149901944372 0.50000000000000 0.85532375206539 39.098 > 4 82 K 0.91149901944372 0.50000000000000 0.85532375206539 39.098 > 4 83 K 0.41149901944372 0.83333333333333 0.85532375206539 39.098 > 4 84 K 0.91149901944372 0.83333333333333 0.85532375206539 39.098 > 4 85 K 0.08850098055628 0.16666666666667 0.14467624793461 39.098 > 5 86 K 0.58850098055628 0.16666666666667 0.14467624793461 39.098 > 5 87 K 0.08850098055628 0.50000000000000 0.14467624793461 39.098 > 5 88 K 0.58850098055628 0.50000000000000 0.14467624793461 39.098 > 5 89 K 0.08850098055628 0.83333333333333 0.14467624793461 39.098 > 5 90 K 0.58850098055628 0.83333333333333 0.14467624793461 39.098 > 5 91 K 0.08850098055628 0.16666666666667 0.64467624793461 39.098 > 5 92 K 0.58850098055628 0.16666666666667 0.64467624793461 39.098 > 5 93 K 0.08850098055628 0.50000000000000 0.64467624793461 39.098 > 5 94 K 0.58850098055628 0.50000000000000 0.64467624793461 39.098 > 5 95 K 0.08850098055628 0.83333333333333 0.64467624793461 39.098 > 5 96 K 0.58850098055628 0.83333333333333 0.64467624793461 39.098 > 5 97 K 0.16149901944372 0.00000000000000 0.35532375206539 39.098 > 4 98 K 0.66149901944372 0.00000000000000 0.35532375206539 39.098 > 4 99 K 0.16149901944372 0.33333333333333 0.35532375206539 39.098 > 4 100 K 0.66149901944372 0.33333333333333 0.35532375206539 39.098 > 4 101 K 0.16149901944372 0.66666666666667 0.35532375206539 39.098 > 4 102 K 0.66149901944372 0.66666666666667 0.35532375206539 39.098 > 4 103 K 0.16149901944372 0.00000000000000 0.85532375206539 39.098 > 4 104 K 0.66149901944372 0.00000000000000 0.85532375206539 39.098 > 4 105 K 0.16149901944372 0.33333333333333 0.85532375206539 39.098 > 4 106 K 0.66149901944372 0.33333333333333 0.85532375206539 39.098 > 4 107 K 0.16149901944372 0.66666666666667 0.85532375206539 39.098 > 4 108 K 0.66149901944372 0.66666666666667 0.85532375206539 39.098 > 4 109 K 0.33850098055628 0.00000000000000 0.14467624793461 39.098 > 5 110 K 0.83850098055628 0.00000000000000 0.14467624793461 39.098 > 5 111 K 0.33850098055628 0.33333333333333 0.14467624793461 39.098 > 5 112 K 0.83850098055628 0.33333333333333 0.14467624793461 39.098 > 5 113 K 0.33850098055628 0.66666666666667 0.14467624793461 39.098 > 5 114 K 0.83850098055628 0.66666666666667 0.14467624793461 39.098 > 5 115 K 0.33850098055628 0.00000000000000 0.64467624793461 39.098 > 5 116 K 0.83850098055628 0.00000000000000 0.64467624793461 39.098 > 5 117 K 0.33850098055628 0.33333333333333 0.64467624793461 39.098 > 5 118 K 0.83850098055628 0.33333333333333 0.64467624793461 39.098 > 5 119 K 0.33850098055628 0.66666666666667 0.64467624793461 39.098 > 5 120 K 0.83850098055628 0.66666666666667 0.64467624793461 39.098 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6526139 0.0000000 0.3319805 0.0000000 2.4108867 0.0000000 0.3319811 0.0000000 3.2102685 -------------------------- Born effective charges -------------------------- 1 C 0.4445574 0.0000000 1.5532330 0.0000000 -0.3481437 0.0000000 1.4935327 0.0000000 2.5663026 2 N -1.3916780 0.0000000 -0.7605316 0.0000000 -0.9648150 0.0000000 -0.7218288 0.0000000 -2.5028665 3 N -1.3916780 0.0000000 -0.7605316 0.0000000 -0.9648150 0.0000000 -0.7218288 0.0000000 -2.5028665 4 K 1.1693993 0.0000000 -0.0160849 0.0000000 1.1388869 0.0000000 -0.0249376 0.0000000 1.2197152 5 K 1.1693993 0.0000000 -0.0160849 0.0000000 1.1388869 0.0000000 -0.0249376 0.0000000 1.2197152 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 3426/3426 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 796 Number of blocks in projector: 796 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 98 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (796, 782), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (96, 96), data: True |-- (98, 98), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (204, 199), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.792 Solver_block: 160 / 160 - Time: 0.550 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.445 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 3426/3426 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 796 Number of blocks in projector: 796 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 98 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (796, 782), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (96, 96), data: True |-- (98, 98), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (204, 199), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:41:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:15]------------------------- 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 3 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.888149964576569 -2.845465375000000 0.000000000000000 b 2.888149964576569 2.845465375000000 0.000000000000000 c -1.858635729678633 0.000000000000000 5.493131422154046 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 2 N 0.15996080837997 0.15996080837997 0.20354091551059 14.007 3 N 0.84003919162003 0.84003919162003 0.79645908448941 14.007 4 K 0.32299803888744 0.32299803888744 0.71064750413078 39.098 5 K 0.67700196111256 0.67700196111256 0.28935249586922 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.552599858306275 0.000000000000000 0.000000000000000 b 0.000000000000000 17.072792249999999 0.000000000000000 c -3.717271459357266 0.000000000000000 10.986262844308092 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 1 3 C 0.00000000000000 0.33333333333333 0.00000000000000 12.011 > 1 4 C 0.50000000000000 0.33333333333333 0.00000000000000 12.011 > 1 5 C 0.00000000000000 0.66666666666667 0.00000000000000 12.011 > 1 6 C 0.50000000000000 0.66666666666667 0.00000000000000 12.011 > 1 7 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 8 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 1 9 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 10 C 0.50000000000000 0.33333333333333 0.50000000000000 12.011 > 1 11 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 12 C 0.50000000000000 0.66666666666667 0.50000000000000 12.011 > 1 13 C 0.25000000000000 0.16666666666667 0.00000000000000 12.011 > 1 14 C 0.75000000000000 0.16666666666667 0.00000000000000 12.011 > 1 15 C 0.25000000000000 0.50000000000000 0.00000000000000 12.011 > 1 16 C 0.75000000000000 0.50000000000000 0.00000000000000 12.011 > 1 17 C 0.25000000000000 0.83333333333333 0.00000000000000 12.011 > 1 18 C 0.75000000000000 0.83333333333333 0.00000000000000 12.011 > 1 19 C 0.25000000000000 0.16666666666667 0.50000000000000 12.011 > 1 20 C 0.75000000000000 0.16666666666667 0.50000000000000 12.011 > 1 21 C 0.25000000000000 0.50000000000000 0.50000000000000 12.011 > 1 22 C 0.75000000000000 0.50000000000000 0.50000000000000 12.011 > 1 23 C 0.25000000000000 0.83333333333333 0.50000000000000 12.011 > 1 24 C 0.75000000000000 0.83333333333333 0.50000000000000 12.011 > 1 25 N 0.32998040418998 0.16666666666667 0.10177045775530 14.007 > 25 26 N 0.82998040418998 0.16666666666667 0.10177045775530 14.007 > 25 27 N 0.32998040418998 0.50000000000000 0.10177045775530 14.007 > 25 28 N 0.82998040418998 0.50000000000000 0.10177045775530 14.007 > 25 29 N 0.32998040418998 0.83333333333333 0.10177045775530 14.007 > 25 30 N 0.82998040418998 0.83333333333333 0.10177045775530 14.007 > 25 31 N 0.32998040418998 0.16666666666667 0.60177045775530 14.007 > 25 32 N 0.82998040418998 0.16666666666667 0.60177045775530 14.007 > 25 33 N 0.32998040418998 0.50000000000000 0.60177045775530 14.007 > 25 34 N 0.82998040418998 0.50000000000000 0.60177045775530 14.007 > 25 35 N 0.32998040418998 0.83333333333333 0.60177045775530 14.007 > 25 36 N 0.82998040418998 0.83333333333333 0.60177045775530 14.007 > 25 37 N 0.17001959581002 0.16666666666667 0.39822954224471 14.007 > 37 38 N 0.67001959581002 0.16666666666667 0.39822954224471 14.007 > 37 39 N 0.17001959581002 0.50000000000000 0.39822954224471 14.007 > 37 40 N 0.67001959581002 0.50000000000000 0.39822954224471 14.007 > 37 41 N 0.17001959581002 0.83333333333333 0.39822954224471 14.007 > 37 42 N 0.67001959581002 0.83333333333333 0.39822954224471 14.007 > 37 43 N 0.17001959581002 0.16666666666667 0.89822954224471 14.007 > 37 44 N 0.67001959581002 0.16666666666667 0.89822954224471 14.007 > 37 45 N 0.17001959581002 0.50000000000000 0.89822954224471 14.007 > 37 46 N 0.67001959581002 0.50000000000000 0.89822954224471 14.007 > 37 47 N 0.17001959581002 0.83333333333333 0.89822954224471 14.007 > 37 48 N 0.67001959581002 0.83333333333333 0.89822954224471 14.007 > 37 49 N 0.07998040418998 0.00000000000000 0.10177045775530 14.007 > 25 50 N 0.57998040418998 0.00000000000000 0.10177045775530 14.007 > 25 51 N 0.07998040418998 0.33333333333333 0.10177045775530 14.007 > 25 52 N 0.57998040418998 0.33333333333333 0.10177045775530 14.007 > 25 53 N 0.07998040418998 0.66666666666667 0.10177045775530 14.007 > 25 54 N 0.57998040418998 0.66666666666667 0.10177045775530 14.007 > 25 55 N 0.07998040418998 0.00000000000000 0.60177045775530 14.007 > 25 56 N 0.57998040418998 0.00000000000000 0.60177045775530 14.007 > 25 57 N 0.07998040418998 0.33333333333333 0.60177045775530 14.007 > 25 58 N 0.57998040418998 0.33333333333333 0.60177045775530 14.007 > 25 59 N 0.07998040418998 0.66666666666667 0.60177045775530 14.007 > 25 60 N 0.57998040418998 0.66666666666667 0.60177045775530 14.007 > 25 61 N 0.42001959581002 0.00000000000000 0.39822954224471 14.007 > 37 62 N 0.92001959581002 0.00000000000000 0.39822954224471 14.007 > 37 63 N 0.42001959581002 0.33333333333333 0.39822954224471 14.007 > 37 64 N 0.92001959581002 0.33333333333333 0.39822954224471 14.007 > 37 65 N 0.42001959581002 0.66666666666667 0.39822954224471 14.007 > 37 66 N 0.92001959581002 0.66666666666667 0.39822954224471 14.007 > 37 67 N 0.42001959581002 0.00000000000000 0.89822954224471 14.007 > 37 68 N 0.92001959581002 0.00000000000000 0.89822954224471 14.007 > 37 69 N 0.42001959581002 0.33333333333333 0.89822954224471 14.007 > 37 70 N 0.92001959581002 0.33333333333333 0.89822954224471 14.007 > 37 71 N 0.42001959581002 0.66666666666667 0.89822954224471 14.007 > 37 72 N 0.92001959581002 0.66666666666667 0.89822954224471 14.007 > 37 73 K 0.41149901944372 0.16666666666667 0.35532375206539 39.098 > 73 74 K 0.91149901944372 0.16666666666667 0.35532375206539 39.098 > 73 75 K 0.41149901944372 0.50000000000000 0.35532375206539 39.098 > 73 76 K 0.91149901944372 0.50000000000000 0.35532375206539 39.098 > 73 77 K 0.41149901944372 0.83333333333333 0.35532375206539 39.098 > 73 78 K 0.91149901944372 0.83333333333333 0.35532375206539 39.098 > 73 79 K 0.41149901944372 0.16666666666667 0.85532375206539 39.098 > 73 80 K 0.91149901944372 0.16666666666667 0.85532375206539 39.098 > 73 81 K 0.41149901944372 0.50000000000000 0.85532375206539 39.098 > 73 82 K 0.91149901944372 0.50000000000000 0.85532375206539 39.098 > 73 83 K 0.41149901944372 0.83333333333333 0.85532375206539 39.098 > 73 84 K 0.91149901944372 0.83333333333333 0.85532375206539 39.098 > 73 85 K 0.08850098055628 0.16666666666667 0.14467624793461 39.098 > 85 86 K 0.58850098055628 0.16666666666667 0.14467624793461 39.098 > 85 87 K 0.08850098055628 0.50000000000000 0.14467624793461 39.098 > 85 88 K 0.58850098055628 0.50000000000000 0.14467624793461 39.098 > 85 89 K 0.08850098055628 0.83333333333333 0.14467624793461 39.098 > 85 90 K 0.58850098055628 0.83333333333333 0.14467624793461 39.098 > 85 91 K 0.08850098055628 0.16666666666667 0.64467624793461 39.098 > 85 92 K 0.58850098055628 0.16666666666667 0.64467624793461 39.098 > 85 93 K 0.08850098055628 0.50000000000000 0.64467624793461 39.098 > 85 94 K 0.58850098055628 0.50000000000000 0.64467624793461 39.098 > 85 95 K 0.08850098055628 0.83333333333333 0.64467624793461 39.098 > 85 96 K 0.58850098055628 0.83333333333333 0.64467624793461 39.098 > 85 97 K 0.16149901944372 0.00000000000000 0.35532375206539 39.098 > 73 98 K 0.66149901944372 0.00000000000000 0.35532375206539 39.098 > 73 99 K 0.16149901944372 0.33333333333333 0.35532375206539 39.098 > 73 100 K 0.66149901944372 0.33333333333333 0.35532375206539 39.098 > 73 101 K 0.16149901944372 0.66666666666667 0.35532375206539 39.098 > 73 102 K 0.66149901944372 0.66666666666667 0.35532375206539 39.098 > 73 103 K 0.16149901944372 0.00000000000000 0.85532375206539 39.098 > 73 104 K 0.66149901944372 0.00000000000000 0.85532375206539 39.098 > 73 105 K 0.16149901944372 0.33333333333333 0.85532375206539 39.098 > 73 106 K 0.66149901944372 0.33333333333333 0.85532375206539 39.098 > 73 107 K 0.16149901944372 0.66666666666667 0.85532375206539 39.098 > 73 108 K 0.66149901944372 0.66666666666667 0.85532375206539 39.098 > 73 109 K 0.33850098055628 0.00000000000000 0.14467624793461 39.098 > 85 110 K 0.83850098055628 0.00000000000000 0.14467624793461 39.098 > 85 111 K 0.33850098055628 0.33333333333333 0.14467624793461 39.098 > 85 112 K 0.83850098055628 0.33333333333333 0.14467624793461 39.098 > 85 113 K 0.33850098055628 0.66666666666667 0.14467624793461 39.098 > 85 114 K 0.83850098055628 0.66666666666667 0.14467624793461 39.098 > 85 115 K 0.33850098055628 0.00000000000000 0.64467624793461 39.098 > 85 116 K 0.83850098055628 0.00000000000000 0.64467624793461 39.098 > 85 117 K 0.33850098055628 0.33333333333333 0.64467624793461 39.098 > 85 118 K 0.83850098055628 0.33333333333333 0.64467624793461 39.098 > 85 119 K 0.33850098055628 0.66666666666667 0.64467624793461 39.098 > 85 120 K 0.83850098055628 0.66666666666667 0.64467624793461 39.098 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6526139 0.0000000 0.3319805 0.0000000 2.4108867 0.0000000 0.3319811 0.0000000 3.2102685 -------------------------- Born effective charges -------------------------- 1 C 0.4445574 0.0000000 1.5532330 0.0000000 -0.3481437 0.0000000 1.4935327 0.0000000 2.5663026 2 N -1.3916780 0.0000000 -0.7605316 0.0000000 -0.9648150 0.0000000 -0.7218288 0.0000000 -2.5028665 3 N -1.3916780 0.0000000 -0.7605316 0.0000000 -0.9648150 0.0000000 -0.7218288 0.0000000 -2.5028665 4 K 1.1693993 0.0000000 -0.0160849 0.0000000 1.1388869 0.0000000 -0.0249376 0.0000000 1.2197152 5 K 1.1693993 0.0000000 -0.0160849 0.0000000 1.1388869 0.0000000 -0.0249376 0.0000000 1.2197152 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:41:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:26]------------------------- 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 3 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.888149964576569 -2.845465375000000 0.000000000000000 b 2.888149964576569 2.845465375000000 0.000000000000000 c -1.858635729678633 0.000000000000000 5.493131422154046 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 2 N 0.15996080837997 0.15996080837997 0.20354091551059 14.007 3 N 0.84003919162003 0.84003919162003 0.79645908448941 14.007 4 K 0.32299803888744 0.32299803888744 0.71064750413078 39.098 5 K 0.67700196111256 0.67700196111256 0.28935249586922 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.552599858306275 0.000000000000000 0.000000000000000 b 0.000000000000000 17.072792249999999 0.000000000000000 c -3.717271459357266 0.000000000000000 10.986262844308092 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 1 3 C 0.00000000000000 0.33333333333333 0.00000000000000 12.011 > 1 4 C 0.50000000000000 0.33333333333333 0.00000000000000 12.011 > 1 5 C 0.00000000000000 0.66666666666667 0.00000000000000 12.011 > 1 6 C 0.50000000000000 0.66666666666667 0.00000000000000 12.011 > 1 7 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 8 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 1 9 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 10 C 0.50000000000000 0.33333333333333 0.50000000000000 12.011 > 1 11 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 12 C 0.50000000000000 0.66666666666667 0.50000000000000 12.011 > 1 13 C 0.25000000000000 0.16666666666667 0.00000000000000 12.011 > 1 14 C 0.75000000000000 0.16666666666667 0.00000000000000 12.011 > 1 15 C 0.25000000000000 0.50000000000000 0.00000000000000 12.011 > 1 16 C 0.75000000000000 0.50000000000000 0.00000000000000 12.011 > 1 17 C 0.25000000000000 0.83333333333333 0.00000000000000 12.011 > 1 18 C 0.75000000000000 0.83333333333333 0.00000000000000 12.011 > 1 19 C 0.25000000000000 0.16666666666667 0.50000000000000 12.011 > 1 20 C 0.75000000000000 0.16666666666667 0.50000000000000 12.011 > 1 21 C 0.25000000000000 0.50000000000000 0.50000000000000 12.011 > 1 22 C 0.75000000000000 0.50000000000000 0.50000000000000 12.011 > 1 23 C 0.25000000000000 0.83333333333333 0.50000000000000 12.011 > 1 24 C 0.75000000000000 0.83333333333333 0.50000000000000 12.011 > 1 25 N 0.32998040418998 0.16666666666667 0.10177045775530 14.007 > 25 26 N 0.82998040418998 0.16666666666667 0.10177045775530 14.007 > 25 27 N 0.32998040418998 0.50000000000000 0.10177045775530 14.007 > 25 28 N 0.82998040418998 0.50000000000000 0.10177045775530 14.007 > 25 29 N 0.32998040418998 0.83333333333333 0.10177045775530 14.007 > 25 30 N 0.82998040418998 0.83333333333333 0.10177045775530 14.007 > 25 31 N 0.32998040418998 0.16666666666667 0.60177045775530 14.007 > 25 32 N 0.82998040418998 0.16666666666667 0.60177045775530 14.007 > 25 33 N 0.32998040418998 0.50000000000000 0.60177045775530 14.007 > 25 34 N 0.82998040418998 0.50000000000000 0.60177045775530 14.007 > 25 35 N 0.32998040418998 0.83333333333333 0.60177045775530 14.007 > 25 36 N 0.82998040418998 0.83333333333333 0.60177045775530 14.007 > 25 37 N 0.17001959581002 0.16666666666667 0.39822954224471 14.007 > 37 38 N 0.67001959581002 0.16666666666667 0.39822954224471 14.007 > 37 39 N 0.17001959581002 0.50000000000000 0.39822954224471 14.007 > 37 40 N 0.67001959581002 0.50000000000000 0.39822954224471 14.007 > 37 41 N 0.17001959581002 0.83333333333333 0.39822954224471 14.007 > 37 42 N 0.67001959581002 0.83333333333333 0.39822954224471 14.007 > 37 43 N 0.17001959581002 0.16666666666667 0.89822954224471 14.007 > 37 44 N 0.67001959581002 0.16666666666667 0.89822954224471 14.007 > 37 45 N 0.17001959581002 0.50000000000000 0.89822954224471 14.007 > 37 46 N 0.67001959581002 0.50000000000000 0.89822954224471 14.007 > 37 47 N 0.17001959581002 0.83333333333333 0.89822954224471 14.007 > 37 48 N 0.67001959581002 0.83333333333333 0.89822954224471 14.007 > 37 49 N 0.07998040418998 0.00000000000000 0.10177045775530 14.007 > 25 50 N 0.57998040418998 0.00000000000000 0.10177045775530 14.007 > 25 51 N 0.07998040418998 0.33333333333333 0.10177045775530 14.007 > 25 52 N 0.57998040418998 0.33333333333333 0.10177045775530 14.007 > 25 53 N 0.07998040418998 0.66666666666667 0.10177045775530 14.007 > 25 54 N 0.57998040418998 0.66666666666667 0.10177045775530 14.007 > 25 55 N 0.07998040418998 0.00000000000000 0.60177045775530 14.007 > 25 56 N 0.57998040418998 0.00000000000000 0.60177045775530 14.007 > 25 57 N 0.07998040418998 0.33333333333333 0.60177045775530 14.007 > 25 58 N 0.57998040418998 0.33333333333333 0.60177045775530 14.007 > 25 59 N 0.07998040418998 0.66666666666667 0.60177045775530 14.007 > 25 60 N 0.57998040418998 0.66666666666667 0.60177045775530 14.007 > 25 61 N 0.42001959581002 0.00000000000000 0.39822954224471 14.007 > 37 62 N 0.92001959581002 0.00000000000000 0.39822954224471 14.007 > 37 63 N 0.42001959581002 0.33333333333333 0.39822954224471 14.007 > 37 64 N 0.92001959581002 0.33333333333333 0.39822954224471 14.007 > 37 65 N 0.42001959581002 0.66666666666667 0.39822954224471 14.007 > 37 66 N 0.92001959581002 0.66666666666667 0.39822954224471 14.007 > 37 67 N 0.42001959581002 0.00000000000000 0.89822954224471 14.007 > 37 68 N 0.92001959581002 0.00000000000000 0.89822954224471 14.007 > 37 69 N 0.42001959581002 0.33333333333333 0.89822954224471 14.007 > 37 70 N 0.92001959581002 0.33333333333333 0.89822954224471 14.007 > 37 71 N 0.42001959581002 0.66666666666667 0.89822954224471 14.007 > 37 72 N 0.92001959581002 0.66666666666667 0.89822954224471 14.007 > 37 73 K 0.41149901944372 0.16666666666667 0.35532375206539 39.098 > 73 74 K 0.91149901944372 0.16666666666667 0.35532375206539 39.098 > 73 75 K 0.41149901944372 0.50000000000000 0.35532375206539 39.098 > 73 76 K 0.91149901944372 0.50000000000000 0.35532375206539 39.098 > 73 77 K 0.41149901944372 0.83333333333333 0.35532375206539 39.098 > 73 78 K 0.91149901944372 0.83333333333333 0.35532375206539 39.098 > 73 79 K 0.41149901944372 0.16666666666667 0.85532375206539 39.098 > 73 80 K 0.91149901944372 0.16666666666667 0.85532375206539 39.098 > 73 81 K 0.41149901944372 0.50000000000000 0.85532375206539 39.098 > 73 82 K 0.91149901944372 0.50000000000000 0.85532375206539 39.098 > 73 83 K 0.41149901944372 0.83333333333333 0.85532375206539 39.098 > 73 84 K 0.91149901944372 0.83333333333333 0.85532375206539 39.098 > 73 85 K 0.08850098055628 0.16666666666667 0.14467624793461 39.098 > 85 86 K 0.58850098055628 0.16666666666667 0.14467624793461 39.098 > 85 87 K 0.08850098055628 0.50000000000000 0.14467624793461 39.098 > 85 88 K 0.58850098055628 0.50000000000000 0.14467624793461 39.098 > 85 89 K 0.08850098055628 0.83333333333333 0.14467624793461 39.098 > 85 90 K 0.58850098055628 0.83333333333333 0.14467624793461 39.098 > 85 91 K 0.08850098055628 0.16666666666667 0.64467624793461 39.098 > 85 92 K 0.58850098055628 0.16666666666667 0.64467624793461 39.098 > 85 93 K 0.08850098055628 0.50000000000000 0.64467624793461 39.098 > 85 94 K 0.58850098055628 0.50000000000000 0.64467624793461 39.098 > 85 95 K 0.08850098055628 0.83333333333333 0.64467624793461 39.098 > 85 96 K 0.58850098055628 0.83333333333333 0.64467624793461 39.098 > 85 97 K 0.16149901944372 0.00000000000000 0.35532375206539 39.098 > 73 98 K 0.66149901944372 0.00000000000000 0.35532375206539 39.098 > 73 99 K 0.16149901944372 0.33333333333333 0.35532375206539 39.098 > 73 100 K 0.66149901944372 0.33333333333333 0.35532375206539 39.098 > 73 101 K 0.16149901944372 0.66666666666667 0.35532375206539 39.098 > 73 102 K 0.66149901944372 0.66666666666667 0.35532375206539 39.098 > 73 103 K 0.16149901944372 0.00000000000000 0.85532375206539 39.098 > 73 104 K 0.66149901944372 0.00000000000000 0.85532375206539 39.098 > 73 105 K 0.16149901944372 0.33333333333333 0.85532375206539 39.098 > 73 106 K 0.66149901944372 0.33333333333333 0.85532375206539 39.098 > 73 107 K 0.16149901944372 0.66666666666667 0.85532375206539 39.098 > 73 108 K 0.66149901944372 0.66666666666667 0.85532375206539 39.098 > 73 109 K 0.33850098055628 0.00000000000000 0.14467624793461 39.098 > 85 110 K 0.83850098055628 0.00000000000000 0.14467624793461 39.098 > 85 111 K 0.33850098055628 0.33333333333333 0.14467624793461 39.098 > 85 112 K 0.83850098055628 0.33333333333333 0.14467624793461 39.098 > 85 113 K 0.33850098055628 0.66666666666667 0.14467624793461 39.098 > 85 114 K 0.83850098055628 0.66666666666667 0.14467624793461 39.098 > 85 115 K 0.33850098055628 0.00000000000000 0.64467624793461 39.098 > 85 116 K 0.83850098055628 0.00000000000000 0.64467624793461 39.098 > 85 117 K 0.33850098055628 0.33333333333333 0.64467624793461 39.098 > 85 118 K 0.83850098055628 0.33333333333333 0.64467624793461 39.098 > 85 119 K 0.33850098055628 0.66666666666667 0.64467624793461 39.098 > 85 120 K 0.83850098055628 0.66666666666667 0.64467624793461 39.098 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6526139 0.0000000 0.3319805 0.0000000 2.4108867 0.0000000 0.3319811 0.0000000 3.2102685 -------------------------- Born effective charges -------------------------- 1 C 0.4445574 0.0000000 1.5532330 0.0000000 -0.3481437 0.0000000 1.4935327 0.0000000 2.5663026 2 N -1.3916780 0.0000000 -0.7605316 0.0000000 -0.9648150 0.0000000 -0.7218288 0.0000000 -2.5028665 3 N -1.3916780 0.0000000 -0.7605316 0.0000000 -0.9648150 0.0000000 -0.7218288 0.0000000 -2.5028665 4 K 1.1693993 0.0000000 -0.0160849 0.0000000 1.1388869 0.0000000 -0.0249376 0.0000000 1.2197152 5 K 1.1693993 0.0000000 -0.0160849 0.0000000 1.1388869 0.0000000 -0.0249376 0.0000000 1.2197152 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 13 13 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 313, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/413) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 19.092 ( 0.000 0.000 0.000) 0.000 19.782 ( 0.000 0.000 0.000) 0.000 37.489 ( 0.000 0.000 0.000) 0.000 60.356 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/413) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 23.302 -13.388 11.271) 29.142 0.653 ( 18.025 -23.571 18.931) 35.197 0.947 ( 37.329 -28.662 9.210) 47.957 2.693 ( 4.763 -8.762 0.322) 9.978 3.293 ( 4.614 -3.729 3.001) 6.649 4.725 ( 0.314 5.192 -14.045) 14.977 5.000 ( 8.473 7.865 28.361) 30.626 5.285 ( -0.932 1.455 3.625) 4.016 5.479 ( -11.856 -6.573 12.298) 18.304 5.863 ( 0.722 -2.156 0.067) 2.275 7.939 ( 1.437 -12.911 -60.372) 61.754 19.125 ( -2.292 -2.848 -1.397) 3.914 19.803 ( 1.605 0.966 -1.161) 2.204 37.478 ( -0.983 0.235 -0.786) 1.280 61.120 ( 11.504 55.665 108.991) 122.922 ======================= Grid point 2 (3/413) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 23.006 -13.095 12.686) 29.355 1.278 ( 17.271 -21.476 17.643) 32.723 1.834 ( 32.564 -27.924 6.222) 43.346 2.918 ( 6.625 -11.463 0.502) 13.249 3.479 ( 8.557 -7.963 4.984) 12.707 4.587 ( -0.931 3.380 -20.554) 20.851 5.121 ( 7.634 4.781 12.188) 15.155 5.243 ( -2.914 3.294 3.134) 5.400 5.474 ( -6.125 -1.656 14.763) 16.068 5.933 ( 2.249 -5.375 1.060) 5.923 7.828 ( -2.155 -2.274 -31.387) 31.543 19.128 ( -0.911 -1.403 -0.691) 1.810 19.808 ( 0.882 0.268 -0.549) 1.073 37.454 ( -1.333 0.191 -0.968) 1.658 60.963 ( 0.525 32.552 51.097) 60.587 ======================= Grid point 3 (4/413) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 21.761 -11.691 15.509) 29.168 1.845 ( 16.019 -18.856 14.322) 28.588 2.609 ( 25.837 -26.120 0.932) 36.751 3.156 ( 6.503 -9.537 2.416) 11.793 3.764 ( 10.418 -10.786 6.133) 16.202 4.418 ( -2.875 3.628 -22.830) 23.295 5.119 ( -3.437 6.335 3.975) 8.230 5.194 ( 3.728 5.081 2.058) 6.630 5.494 ( -3.315 -0.188 14.811) 15.179 6.081 ( 4.161 -8.858 2.234) 10.039 7.668 ( -4.123 1.980 -21.232) 21.719 19.132 ( -0.404 -0.897 -0.390) 1.058 19.814 ( 0.641 0.007 -0.317) 0.715 37.436 ( -0.852 -0.222 -0.391) 0.963 60.725 ( -4.434 25.229 30.135) 39.550 ======================= Grid point 4 (5/413) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 19.210 -9.427 19.358) 28.855 2.342 ( 14.863 -16.513 8.897) 23.932 3.191 ( 16.054 -17.093 -7.251) 24.546 3.387 ( 6.150 -11.376 6.773) 14.598 4.070 ( 8.300 -7.571 6.022) 12.747 4.217 ( -2.831 1.585 -21.281) 21.527 4.972 ( -5.549 7.574 1.991) 9.598 5.171 ( 3.744 6.078 0.459) 7.153 5.505 ( -3.649 0.818 10.693) 11.328 6.287 ( 5.068 -10.413 1.269) 11.650 7.482 ( -5.156 4.048 -14.584) 15.989 19.137 ( -0.186 -0.567 -0.210) 0.633 19.821 ( 0.473 -0.086 -0.182) 0.514 37.437 ( 0.032 -0.748 0.473) 0.886 60.453 ( -6.337 19.769 18.280) 27.661 ======================= Grid point 5 (6/413) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 15.656 -7.739 21.849) 27.971 2.760 ( 12.964 -13.200 3.287) 18.791 3.412 ( 6.121 -1.867 -1.516) 6.577 3.652 ( -0.670 -12.726 -4.180) 13.412 3.945 ( -3.148 4.557 -18.503) 19.314 4.427 ( 9.694 -10.785 7.857) 16.494 4.801 ( -4.799 7.707 0.682) 9.104 5.150 ( 4.211 4.629 -0.207) 6.261 5.466 ( -5.275 1.636 6.751) 8.722 6.480 ( 3.925 -8.442 -1.835) 9.489 7.306 ( -4.571 4.204 -7.741) 9.924 19.140 ( -0.098 -0.295 -0.106) 0.328 19.827 ( 0.296 -0.082 -0.094) 0.322 37.457 ( 0.558 -0.897 0.866) 1.366 60.211 ( -5.378 13.057 9.945) 17.272 ======================= Grid point 6 (7/413) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 9.735 -6.120 18.865) 22.093 3.028 ( 5.741 -4.727 -3.986) 8.438 3.453 ( 2.330 3.613 4.141) 5.969 3.556 ( -9.062 -0.766 -16.672) 18.991 3.917 ( 1.278 -2.524 -2.705) 3.915 4.661 ( -3.683 -3.017 2.313) 5.293 4.689 ( 6.515 1.239 1.533) 6.806 5.154 ( 2.513 1.743 -0.390) 3.083 5.400 ( -3.539 1.211 2.711) 4.620 6.584 ( 1.234 -3.094 -2.240) 4.014 7.199 ( -1.753 1.760 -1.675) 2.996 19.142 ( -0.035 -0.087 -0.033) 0.099 19.830 ( 0.101 -0.031 -0.029) 0.110 37.476 ( 0.317 -0.406 0.426) 0.668 60.067 ( -2.097 4.607 3.162) 5.968 ======================= Grid point 14 (8/413) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 23.567 0.000 -4.055) 23.913 0.931 ( 29.805 0.000 14.172) 33.003 1.545 ( 44.668 0.000 26.489) 51.932 2.730 ( 9.819 0.000 -0.758) 9.848 3.369 ( 7.206 0.000 5.452) 9.036 4.658 ( -4.589 -0.000 -16.572) 17.196 5.229 ( 2.105 0.000 10.600) 10.807 5.348 ( 1.768 0.000 0.611) 1.870 5.405 ( -1.784 -0.000 26.032) 26.093 5.858 ( 1.101 0.000 -0.305) 1.142 7.669 ( 8.260 0.000 -50.089) 50.765 19.096 ( 0.361 0.000 -0.035) 0.362 19.816 ( 0.595 0.000 -1.372) 1.496 37.463 ( -1.683 -0.000 0.286) 1.708 61.672 ( -33.123 -0.000 71.759) 79.035 ======================= Grid point 15 (9/413) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 18.939 -24.245 -2.179) 30.843 1.429 ( 26.611 -6.264 17.056) 32.222 2.237 ( 37.958 -3.996 20.556) 43.351 2.922 ( 11.914 -6.130 -0.508) 13.408 3.532 ( 8.509 -4.894 5.699) 11.350 4.496 ( -4.399 1.848 -21.396) 21.921 5.293 ( 2.649 3.080 4.338) 5.943 5.328 ( 4.338 6.146 3.325) 8.225 5.494 ( -2.294 -0.097 18.694) 18.835 5.900 ( 1.917 -3.814 0.249) 4.276 7.573 ( -2.641 -6.034 -33.729) 34.366 19.107 ( 0.294 -0.716 -0.154) 0.789 19.817 ( 0.564 0.136 -0.729) 0.932 37.440 ( -1.357 0.354 0.686) 1.561 61.394 ( -21.706 18.524 42.203) 50.945 ======================= Grid point 16 (10/413) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 16.422 -26.537 -0.814) 31.218 1.936 ( 21.554 -8.020 20.528) 30.827 2.826 ( 29.378 -6.204 9.470) 31.484 3.175 ( 10.977 -6.782 3.084) 13.267 3.778 ( 9.312 -10.200 5.434) 14.842 4.300 ( -5.355 2.495 -24.064) 24.779 5.216 ( 0.183 9.723 2.177) 9.965 5.346 ( 4.355 6.039 4.196) 8.546 5.522 ( -2.805 0.469 10.651) 11.024 6.020 ( 2.885 -8.265 1.632) 8.905 7.446 ( -8.030 -5.657 -25.063) 26.919 19.120 ( 0.291 -0.632 -0.167) 0.715 19.821 ( 0.543 0.048 -0.372) 0.660 37.429 ( -0.321 0.129 1.331) 1.375 61.028 ( -16.760 19.995 26.087) 36.895 ======================= Grid point 17 (11/413) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 15.029 -23.933 -0.459) 28.265 2.391 ( 16.326 -7.262 22.923) 29.064 3.259 ( 20.696 -6.701 -5.534) 22.447 3.400 ( 5.911 -4.874 9.200) 11.972 4.063 ( -3.709 1.948 -17.325) 17.824 4.102 ( 7.233 -11.445 -0.136) 13.540 5.073 ( -0.635 11.655 0.639) 11.690 5.313 ( 1.505 7.032 4.891) 8.697 5.503 ( -3.097 0.984 3.398) 4.702 6.199 ( 2.811 -10.856 0.820) 11.244 7.298 ( -9.766 -4.785 -18.013) 21.041 19.130 ( 0.288 -0.427 -0.133) 0.532 19.826 ( 0.463 0.017 -0.171) 0.494 37.441 ( 0.704 -0.241 1.950) 2.087 60.656 ( -14.028 18.042 15.875) 27.826 ======================= Grid point 18 (12/413) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 12.678 -18.951 -1.055) 22.825 2.771 ( 11.485 -6.074 22.917) 26.343 3.481 ( -2.041 -0.392 5.284) 5.677 3.502 ( 7.096 -2.989 -17.735) 19.335 3.881 ( 0.910 0.503 -14.122) 14.160 4.423 ( 7.138 -11.294 8.634) 15.907 4.906 ( 0.033 10.959 -1.209) 11.026 5.247 ( -2.867 4.807 4.993) 7.500 5.456 ( -0.579 2.577 -1.106) 2.863 6.373 ( 1.216 -10.759 -2.220) 11.052 7.170 ( -8.826 -4.577 -10.033) 14.125 19.138 ( 0.269 -0.206 -0.100) 0.353 19.830 ( 0.321 0.055 -0.058) 0.330 37.466 ( 1.040 -0.251 1.970) 2.241 60.328 ( -10.672 13.522 8.472) 19.197 ======================= Grid point 19 (13/413) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 3.708 -5.864 -6.192) 9.299 3.039 ( 4.335 -2.228 16.523) 17.227 3.289 ( -10.455 -3.838 -17.970) 21.141 3.569 ( 3.956 0.331 3.977) 5.619 3.947 ( 8.859 -0.760 -4.126) 9.802 4.595 ( -1.540 -3.238 4.209) 5.529 4.821 ( 4.532 5.430 -0.044) 7.073 5.154 ( -7.198 1.650 4.336) 8.564 5.421 ( 3.609 3.008 -4.975) 6.843 6.497 ( -0.662 -8.607 -1.985) 8.858 7.105 ( -6.427 -5.449 -3.627) 9.174 19.142 ( 0.281 -0.028 -0.057) 0.288 19.832 ( 0.137 0.125 0.007) 0.186 37.486 ( 0.576 0.278 1.264) 1.417 60.100 ( -6.326 6.607 2.352) 9.444 ======================= Grid point 20 (14/413) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -13.460 7.526 -24.427) 28.888 3.018 ( -9.984 6.636 4.599) 12.840 3.337 ( 0.915 -8.286 -4.252) 9.358 3.720 ( 6.781 -5.040 17.232) 19.192 4.011 ( 6.088 5.998 -1.206) 8.631 4.597 ( -3.927 -0.313 1.397) 4.180 4.774 ( 3.019 7.244 -3.007) 8.404 5.069 ( -7.091 -1.373 2.875) 7.774 5.438 ( 6.344 0.305 -7.875) 10.117 6.563 ( -3.046 -3.539 2.475) 5.285 7.118 ( -3.630 -8.424 -0.773) 9.206 19.146 ( 0.340 0.115 0.011) 0.360 19.831 ( -0.062 0.197 0.050) 0.213 37.484 ( -0.078 0.978 0.395) 1.058 60.008 ( -2.098 -1.627 -3.432) 4.339 ======================= Grid point 21 (15/413) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -15.175 8.102 -26.789) 31.836 2.704 ( -18.286 11.417 -0.213) 21.558 3.382 ( -1.013 -0.200 -1.568) 1.878 3.886 ( 1.347 16.882 1.395) 16.993 3.990 ( 2.897 -6.790 18.300) 19.733 4.403 ( -9.886 10.288 -1.651) 14.363 4.830 ( 9.951 -2.486 -3.811) 10.941 5.037 ( -4.368 -3.648 1.908) 6.003 5.485 ( 5.768 -0.386 -9.942) 11.500 6.506 ( -6.304 4.082 1.798) 7.723 7.240 ( -1.265 -12.750 4.164) 13.472 19.148 ( 0.426 0.277 0.107) 0.520 19.826 ( -0.259 0.253 0.085) 0.372 37.466 ( -0.176 1.269 0.121) 1.287 60.047 ( 0.346 -9.502 -9.530) 13.462 ======================= Grid point 22 (16/413) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -15.894 9.440 -27.232) 32.914 2.252 ( -22.537 13.506 -3.112) 26.458 3.300 ( -3.335 10.100 2.715) 10.978 3.523 ( -7.345 26.118 -1.499) 27.172 4.024 ( -8.227 7.178 -5.315) 12.143 4.313 ( 2.167 -2.976 21.755) 22.065 4.983 ( 7.117 -4.040 -5.421) 9.816 5.064 ( -0.084 -3.921 1.022) 4.053 5.505 ( 5.274 0.678 -11.797) 12.940 6.329 ( -6.740 8.146 -1.079) 10.628 7.440 ( -1.279 -14.099 9.309) 16.943 19.151 ( 0.562 0.464 0.253) 0.772 19.818 ( -0.447 0.274 0.114) 0.536 37.453 ( 0.408 0.965 0.652) 1.234 60.165 ( -0.273 -15.507 -16.333) 22.524 ======================= Grid point 23 (17/413) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -16.150 11.446 -28.647) 34.820 1.720 ( -25.031 15.556 -4.023) 29.744 2.854 ( -10.446 39.276 3.400) 40.784 3.226 ( -2.329 10.316 -2.606) 10.892 3.750 ( -8.960 10.794 -4.532) 14.742 4.501 ( 1.809 -3.530 23.253) 23.589 5.021 ( -2.840 -3.107 -9.995) 10.845 5.155 ( 4.990 -2.798 -1.514) 5.917 5.519 ( 7.732 1.833 -10.749) 13.367 6.128 ( -4.705 8.310 -2.011) 9.759 7.660 ( -1.569 -13.572 13.169) 18.976 19.154 ( 0.824 0.598 0.474) 1.123 19.808 ( -0.621 0.245 0.129) 0.680 37.459 ( 1.060 0.422 1.405) 1.810 60.282 ( -4.338 -18.562 -23.757) 30.459 ======================= Grid point 24 (18/413) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -15.592 13.261 -31.079) 37.214 1.150 ( -21.922 19.758 0.075) 29.512 2.149 ( -7.942 46.842 1.494) 47.534 3.033 ( -1.953 13.450 -0.968) 13.626 3.489 ( -5.310 10.149 -2.346) 11.692 4.656 ( 0.571 -1.604 23.309) 23.371 4.926 ( -4.857 -0.941 -19.011) 19.644 5.229 ( 2.091 -2.335 -2.144) 3.797 5.565 ( 8.395 2.228 -6.444) 10.815 5.978 ( -1.839 6.203 -1.068) 6.558 7.884 ( -0.406 -12.190 14.712) 19.110 19.162 ( 1.151 0.515 0.690) 1.437 19.796 ( -0.730 0.210 0.102) 0.767 37.477 ( 1.039 0.077 1.450) 1.785 60.309 ( -10.338 -16.585 -28.620) 34.656 ======================= Grid point 25 (19/413) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 16.990 0.000) 16.990 0.677 ( 0.000 24.431 0.000) 24.431 1.426 ( 0.000 51.271 0.000) 51.271 2.820 ( 0.000 14.115 0.000) 14.115 3.332 ( 0.000 7.232 0.000) 7.232 4.754 ( 0.000 2.339 0.000) 2.339 4.805 ( -0.000 -2.038 -0.000) 2.038 5.262 ( -0.000 -1.758 -0.000) 1.758 5.595 ( 0.000 1.209 0.000) 1.209 5.897 ( 0.000 3.933 0.000) 3.933 8.090 ( -0.000 -10.422 -0.000) 10.422 19.173 ( 0.000 0.021 0.000) 0.021 19.786 ( 0.000 0.290 0.000) 0.290 37.489 ( -0.000 -0.000 -0.000) 0.000 60.258 ( -0.000 -6.834 -0.000) 6.834 ======================= Grid point 28 (20/413) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 21.774 0.000 -2.863) 21.962 1.828 ( 26.722 0.000 17.089) 31.719 2.775 ( 30.709 0.000 20.335) 36.832 3.055 ( 14.480 0.000 -1.636) 14.572 3.629 ( 7.874 0.000 4.693) 9.167 4.335 ( -5.921 -0.000 -23.990) 24.710 5.405 ( 4.847 0.000 7.121) 8.614 5.420 ( 2.930 0.000 0.995) 3.095 5.531 ( -3.837 -0.000 12.622) 13.192 5.895 ( 1.862 0.000 -0.509) 1.930 7.324 ( -6.826 -0.000 -30.384) 31.142 19.110 ( 0.651 0.000 -0.051) 0.653 19.822 ( 0.513 0.000 -0.504) 0.719 37.434 ( -0.709 -0.000 1.861) 1.992 61.340 ( -25.278 -0.000 28.798) 38.318 ======================= Grid point 29 (21/413) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 18.463 -17.174 -1.994) 25.294 2.267 ( 23.651 -2.302 19.117) 30.498 3.185 ( 21.296 0.910 8.011) 22.771 3.284 ( 13.069 -4.102 5.759) 14.859 3.800 ( 8.955 -6.840 3.367) 11.761 4.130 ( -6.646 1.112 -25.698) 26.567 5.376 ( 0.313 9.200 3.974) 10.027 5.468 ( -4.226 2.349 9.862) 10.984 5.528 ( 3.608 0.987 -0.426) 3.765 5.958 ( 2.010 -5.648 0.069) 5.995 7.116 ( -11.180 -5.969 -26.257) 29.156 19.120 ( 0.679 -0.226 -0.069) 0.719 19.827 ( 0.522 0.027 -0.250) 0.579 37.441 ( 0.413 0.115 2.628) 2.662 61.056 ( -22.448 9.034 18.970) 30.747 ======================= Grid point 30 (22/413) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 14.487 -23.053 -1.651) 27.277 2.672 ( 18.645 -1.855 21.112) 28.227 3.439 ( 15.360 -1.214 -6.218) 16.615 3.463 ( 2.655 -0.787 7.967) 8.434 3.905 ( -4.931 0.054 -23.141) 23.660 4.096 ( 11.096 -10.785 5.796) 16.523 5.218 ( -5.327 10.049 0.943) 11.413 5.382 ( -4.906 5.067 5.041) 8.669 5.553 ( 5.623 4.767 -0.800) 7.415 6.085 ( 1.109 -9.330 -0.551) 9.412 6.959 ( -12.539 -9.791 -19.504) 25.169 19.132 ( 0.621 -0.192 -0.082) 0.655 19.832 ( 0.465 0.067 -0.079) 0.477 37.464 ( 1.175 0.040 2.888) 3.118 60.703 ( -18.668 12.095 11.847) 25.201 ======================= Grid point 31 (23/413) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 10.860 -22.578 -1.977) 25.132 2.989 ( 11.867 -0.568 20.123) 23.369 3.341 ( -11.253 3.700 -17.623) 21.235 3.577 ( 4.618 0.407 -2.563) 5.297 3.889 ( 10.333 -3.297 -6.571) 12.681 4.406 ( 6.830 -10.040 8.134) 14.615 5.011 ( -5.394 6.973 -3.670) 9.550 5.255 ( -5.077 6.730 4.205) 9.421 5.546 ( 5.349 5.812 -2.564) 8.304 6.215 ( -0.884 -10.569 -2.760) 10.959 6.877 ( -11.117 -11.360 -10.566) 19.085 19.141 ( 0.548 -0.064 -0.082) 0.558 19.836 ( 0.333 0.147 0.007) 0.364 37.491 ( 1.079 0.152 2.441) 2.673 60.363 ( -14.192 11.152 6.343) 19.131 ======================= Grid point 32 (24/413) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 2.040 -8.776 -7.581) 11.775 2.998 ( -9.842 -4.065 -20.246) 22.876 3.159 ( 0.709 3.741 8.504) 9.318 3.613 ( 0.097 -2.209 12.149) 12.349 4.083 ( 15.029 -0.643 -5.155) 15.902 4.565 ( -0.448 -2.701 5.479) 6.125 4.908 ( 0.073 0.844 -3.870) 3.962 5.115 ( -4.821 6.316 4.059) 8.922 5.517 ( 4.973 5.397 -5.603) 9.233 6.329 ( -2.418 -11.310 -1.424) 11.653 6.862 ( -9.522 -11.237 -4.635) 15.440 19.148 ( 0.519 0.048 -0.050) 0.524 19.837 ( 0.158 0.246 0.042) 0.296 37.505 ( 0.331 0.579 1.466) 1.611 60.098 ( -9.270 7.129 1.645) 11.809 ======================= Grid point 33 (25/413) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -13.655 7.337 -29.730) 33.529 2.979 ( -15.267 8.683 5.428) 18.383 3.210 ( 3.622 -12.179 -5.447) 13.824 3.790 ( 4.667 -6.317 20.451) 21.907 4.195 ( 9.241 6.403 -4.006) 11.934 4.594 ( 0.578 1.154 3.196) 3.446 4.870 ( -0.293 2.928 -4.018) 4.981 5.011 ( -1.679 3.894 2.939) 5.159 5.505 ( 6.126 2.433 -8.021) 10.382 6.434 ( -4.647 -9.293 2.833) 10.770 6.881 ( -8.465 -12.551 -3.067) 15.446 19.153 ( 0.541 0.122 0.015) 0.554 19.834 ( -0.022 0.341 0.055) 0.346 37.498 ( -0.324 1.003 0.592) 1.209 59.944 ( -4.969 1.314 -2.776) 5.841 ======================= Grid point 34 (26/413) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -12.639 8.397 -30.348) 33.930 2.602 ( -21.351 12.102 3.184) 24.748 3.338 ( 0.990 -5.218 -3.645) 6.442 4.029 ( 3.549 -4.808 18.278) 19.230 4.120 ( 2.275 13.140 -1.802) 13.457 4.472 ( -5.110 13.837 5.126) 15.615 4.875 ( 3.408 -3.725 -5.667) 7.590 5.016 ( 5.570 0.695 0.971) 5.697 5.531 ( 6.843 1.272 -8.987) 11.367 6.440 ( -7.479 -1.382 2.308) 7.948 6.976 ( -7.440 -18.320 0.073) 19.774 19.159 ( 0.572 0.189 0.100) 0.611 19.828 ( -0.186 0.425 0.056) 0.468 37.481 ( -0.289 0.999 0.387) 1.110 59.897 ( -2.552 -4.527 -6.995) 8.714 ======================= Grid point 35 (27/413) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -12.020 10.499 -29.455) 33.501 2.142 ( -21.401 14.969 2.812) 26.268 3.356 ( 0.045 1.276 -1.718) 2.140 3.834 ( -3.441 27.581 1.737) 27.849 4.035 ( -4.559 10.249 -2.421) 11.475 4.402 ( 1.867 -1.768 20.675) 20.834 4.934 ( 1.145 -3.456 -6.933) 7.831 5.110 ( 6.812 -0.467 -1.000) 6.901 5.572 ( 8.745 1.988 -8.131) 12.105 6.319 ( -6.764 4.469 -0.391) 8.117 7.162 ( -7.237 -21.914 3.652) 23.366 19.165 ( 0.584 0.231 0.192) 0.657 19.818 ( -0.307 0.496 0.046) 0.585 37.473 ( 0.274 0.540 0.757) 0.970 59.918 ( -2.459 -8.660 -10.276) 13.661 ======================= Grid point 36 (28/413) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -10.639 13.782 -23.691) 29.401 1.679 ( -14.802 18.563 2.613) 23.886 3.283 ( -0.214 18.347 3.319) 18.646 3.349 ( -3.298 26.414 -3.263) 26.818 3.800 ( -4.364 12.316 -1.943) 13.210 4.575 ( 1.872 -4.398 19.275) 19.858 4.915 ( -1.408 -0.125 -11.690) 11.775 5.180 ( 2.978 -1.060 -1.113) 3.351 5.630 ( 7.992 2.626 -4.653) 9.613 6.166 ( -3.483 6.702 -1.086) 7.630 7.402 ( -4.600 -22.419 4.593) 23.342 19.170 ( 0.503 0.169 0.235) 0.580 19.807 ( -0.310 0.545 0.023) 0.627 37.479 ( 0.581 0.036 0.905) 1.076 59.960 ( -3.216 -9.873 -10.144) 14.516 ======================= Grid point 37 (29/413) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 16.829 0.000) 16.829 1.304 ( 0.000 21.649 0.000) 21.649 2.732 ( 0.000 44.679 0.000) 44.679 3.190 ( 0.000 10.948 0.000) 10.948 3.597 ( 0.000 11.867 0.000) 11.867 4.713 ( -0.000 -4.755 -0.000) 4.755 4.831 ( 0.000 2.953 0.000) 2.953 5.213 ( -0.000 -1.529 -0.000) 1.529 5.644 ( 0.000 2.401 0.000) 2.401 6.049 ( 0.000 6.779 0.000) 6.779 7.676 ( -0.000 -19.945 -0.000) 19.945 19.174 ( 0.000 0.045 0.000) 0.045 19.797 ( 0.000 0.533 0.000) 0.533 37.488 ( -0.000 -0.114 -0.000) 0.114 60.029 ( -0.000 -9.097 -0.000) 9.097 ======================= Grid point 42 (30/413) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 18.242 0.000 -1.849) 18.335 2.653 ( 22.667 0.000 19.452) 29.869 3.435 ( 14.774 0.000 -1.859) 14.891 3.444 ( 5.184 0.000 10.897) 12.067 3.851 ( 0.969 0.000 -11.588) 11.628 3.979 ( 4.810 0.000 -11.293) 12.274 5.338 ( -15.168 -0.000 5.264) 16.055 5.514 ( 3.319 0.000 1.087) 3.493 5.629 ( 6.817 0.000 2.907) 7.412 5.943 ( 1.981 0.000 -0.641) 2.082 6.782 ( -14.030 -0.000 -25.552) 29.150 19.129 ( 0.795 0.000 -0.051) 0.796 19.833 ( 0.512 0.000 -0.088) 0.520 37.465 ( 1.067 0.000 3.166) 3.341 60.882 ( -22.381 -0.000 12.856) 25.810 ======================= Grid point 43 (31/413) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 15.019 -12.812 -1.661) 19.811 3.014 ( 18.668 1.599 18.887) 26.604 3.413 ( -9.153 1.381 -9.328) 13.141 3.602 ( 9.606 1.616 -3.963) 10.516 3.764 ( 0.601 -5.312 -8.159) 9.755 4.173 ( 13.298 -4.937 4.026) 14.745 5.119 ( -16.267 1.518 -0.491) 16.345 5.499 ( 2.856 8.262 0.736) 8.772 5.705 ( 5.769 4.143 2.559) 7.549 5.991 ( 0.669 -4.512 -2.046) 5.000 6.551 ( -14.297 -10.042 -19.434) 26.133 19.140 ( 0.762 -0.030 -0.055) 0.765 19.839 ( 0.440 0.066 0.019) 0.445 37.494 ( 1.131 0.064 2.918) 3.130 60.607 ( -19.495 5.398 8.173) 21.817 ======================= Grid point 44 (32/413) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 11.061 -18.581 -2.098) 21.725 3.094 ( -10.875 3.579 -25.016) 27.511 3.283 ( 6.900 5.594 14.150) 16.707 3.592 ( -3.642 0.239 6.646) 7.582 3.975 ( 14.934 -7.474 -3.202) 17.004 4.421 ( 7.395 -6.087 6.496) 11.573 4.905 ( -10.417 -0.020 -4.990) 11.550 5.386 ( 0.896 12.071 0.723) 12.126 5.691 ( 3.956 7.004 -1.654) 8.212 6.054 ( -1.890 -8.061 -3.336) 8.926 6.498 ( -11.169 -15.127 -9.040) 20.864 19.149 ( 0.676 0.037 -0.054) 0.680 19.843 ( 0.304 0.173 0.058) 0.355 37.515 ( 0.475 0.199 2.031) 2.095 60.314 ( -15.153 7.297 4.484) 17.406 ======================= Grid point 45 (33/413) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -9.594 0.269 -29.257) 30.791 2.757 ( 4.381 -13.304 -5.008) 14.875 3.211 ( -11.731 7.425 6.474) 15.318 3.674 ( 4.669 -1.976 19.939) 20.573 4.248 ( 15.745 -3.223 -4.750) 16.759 4.558 ( 1.549 -2.411 4.549) 5.376 4.834 ( -1.961 -3.763 -4.060) 5.872 5.235 ( 0.400 10.848 1.258) 10.928 5.628 ( 3.106 6.101 -5.371) 8.701 6.134 ( -3.518 -10.316 -0.483) 10.910 6.533 ( -9.989 -14.044 -4.320) 17.768 19.156 ( 0.610 0.094 -0.026) 0.618 19.843 ( 0.148 0.295 0.058) 0.335 37.518 ( -0.446 0.446 0.928) 1.122 60.063 ( -10.276 6.218 1.323) 12.083 ======================= Grid point 46 (34/413) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -10.024 7.299 -31.098) 33.479 2.890 ( -19.323 8.502 6.373) 22.051 3.053 ( 3.139 -14.276 -4.157) 15.197 3.891 ( 6.764 -3.831 21.216) 22.596 4.371 ( 7.196 5.810 -4.334) 10.214 4.644 ( 5.837 -2.177 0.308) 6.238 4.846 ( -0.653 -0.353 -0.570) 0.935 5.132 ( 2.600 7.811 1.227) 8.323 5.585 ( 4.975 3.210 -7.212) 9.331 6.229 ( -5.954 -11.742 3.205) 13.550 6.557 ( -10.641 -12.753 -4.261) 17.147 19.163 ( 0.567 0.106 0.027) 0.577 19.839 ( 0.007 0.414 0.046) 0.416 37.503 ( -0.930 0.577 0.181) 1.109 59.891 ( -5.966 3.193 -1.506) 6.933 ======================= Grid point 47 (35/413) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -8.045 9.690 -26.983) 29.777 2.506 ( -19.319 11.758 4.961) 23.153 3.235 ( 1.338 -9.718 -3.140) 10.300 4.117 ( 5.050 -3.566 16.882) 17.978 4.285 ( 0.483 10.483 -2.029) 10.688 4.656 ( 0.560 12.746 3.759) 13.301 4.848 ( 3.555 -1.803 -3.206) 5.116 5.128 ( 5.847 2.098 -0.503) 6.232 5.617 ( 8.717 1.124 -7.006) 11.240 6.298 ( -6.899 -7.494 4.363) 11.081 6.582 ( -11.845 -17.664 -4.080) 21.655 19.169 ( 0.491 0.100 0.073) 0.506 19.833 ( -0.094 0.527 0.032) 0.536 37.485 ( -0.667 0.362 0.075) 0.762 59.801 ( -3.113 -0.381 -3.641) 4.806 ======================= Grid point 48 (36/413) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -6.170 12.860 -18.072) 23.023 2.131 ( -12.116 14.684 3.101) 19.288 3.328 ( 0.266 -4.347 -1.600) 4.640 4.107 ( -1.045 14.041 -0.732) 14.098 4.172 ( -0.107 13.577 3.685) 14.069 4.508 ( 0.466 5.560 10.475) 11.869 4.905 ( 2.851 -0.683 -4.613) 5.466 5.171 ( 2.734 0.299 -0.928) 2.903 5.700 ( 9.128 2.225 -4.092) 10.248 6.278 ( -4.169 0.522 1.014) 4.322 6.725 ( -8.974 -26.145 -0.403) 27.645 19.173 ( 0.322 0.081 0.082) 0.342 19.823 ( -0.119 0.623 0.015) 0.634 37.479 ( -0.098 -0.064 0.257) 0.282 59.779 ( -1.617 -3.364 -3.872) 5.378 ======================= Grid point 49 (37/413) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 15.384 0.000) 15.384 1.835 ( 0.000 17.477 0.000) 17.477 3.351 ( 0.000 0.708 0.000) 0.708 3.792 ( 0.000 31.919 0.000) 31.919 3.946 ( 0.000 13.906 0.000) 13.906 4.568 ( -0.000 -4.901 -0.000) 4.901 4.896 ( 0.000 1.717 0.000) 1.717 5.188 ( -0.000 -0.399 -0.000) 0.399 5.720 ( 0.000 3.045 0.000) 3.045 6.214 ( 0.000 4.338 0.000) 4.338 7.033 ( -0.000 -26.990 -0.000) 26.990 19.175 ( 0.000 0.055 0.000) 0.055 19.814 ( 0.000 0.658 0.000) 0.658 37.483 ( -0.000 -0.259 -0.000) 0.259 59.818 ( -0.000 -5.766 -0.000) 5.766 ======================= Grid point 56 (38/413) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 13.352 0.000 -1.390) 13.424 3.147 ( -9.953 -0.000 -26.717) 28.511 3.402 ( 13.548 0.000 20.084) 24.226 3.612 ( -8.885 -0.000 3.010) 9.381 3.792 ( 12.749 0.000 -1.034) 12.791 4.335 ( 12.293 0.000 3.364) 12.745 4.907 ( -13.827 -0.000 -3.827) 14.347 5.611 ( 3.186 0.000 1.056) 3.356 5.812 ( 4.499 0.000 2.578) 5.185 5.982 ( 1.393 0.000 -0.806) 1.610 6.171 ( -16.055 -0.000 -18.520) 24.510 19.149 ( 0.746 0.000 -0.044) 0.748 19.845 ( 0.354 0.000 0.069) 0.361 37.518 ( 0.476 0.000 2.171) 2.222 60.423 ( -17.517 -0.000 5.326) 18.308 ======================= Grid point 57 (39/413) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 10.122 -9.998 -1.643) 14.322 2.843 ( -11.081 2.261 -31.765) 33.719 3.385 ( -15.566 4.331 6.845) 17.547 3.694 ( 10.955 3.548 19.093) 22.297 4.033 ( 12.857 -9.966 -0.002) 16.267 4.501 ( 8.042 -1.247 3.523) 8.868 4.759 ( -5.224 -1.252 -5.467) 7.665 5.562 ( 0.671 11.457 -0.572) 11.491 5.803 ( -1.724 6.983 -4.147) 8.303 5.919 ( -2.016 -5.752 -3.249) 6.906 6.133 ( -6.168 -14.323 -4.113) 16.128 19.158 ( 0.649 0.045 -0.038) 0.652 19.849 ( 0.227 0.117 0.068) 0.264 37.524 ( -0.509 0.092 1.062) 1.181 60.207 ( -13.805 3.272 3.096) 14.521 ======================= Grid point 58 (40/413) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -5.873 1.845 -27.809) 28.482 2.621 ( 4.533 -12.002 -4.388) 13.559 3.101 ( -20.907 5.420 7.165) 22.755 3.862 ( 8.573 2.167 18.079) 20.126 4.340 ( 12.380 -9.073 -2.411) 15.537 4.598 ( 4.380 0.353 1.464) 4.632 4.759 ( 1.213 -3.909 -1.738) 4.447 5.379 ( -1.881 10.355 -1.775) 10.673 5.700 ( 0.412 4.124 -4.987) 6.484 5.977 ( -2.480 -6.205 0.900) 6.742 6.218 ( -6.609 -12.230 -2.596) 14.142 19.165 ( 0.542 0.076 -0.014) 0.548 19.849 ( 0.103 0.253 0.046) 0.277 37.513 ( -1.259 0.179 0.108) 1.276 60.008 ( -9.369 4.320 1.202) 10.387 ======================= Grid point 59 (41/413) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -5.049 7.438 -25.071) 26.634 2.766 ( -18.441 6.961 6.492) 20.753 2.881 ( 2.841 -14.595 -1.969) 14.999 4.034 ( 6.188 -1.362 15.763) 16.989 4.495 ( 4.261 3.615 -3.088) 6.384 4.690 ( 8.182 -4.433 -2.064) 9.532 4.846 ( 3.038 -3.250 2.499) 5.102 5.250 ( -0.537 5.889 -0.504) 5.935 5.654 ( 3.866 2.528 -5.337) 7.059 6.020 ( -6.284 -7.656 2.945) 10.334 6.257 ( -7.664 -9.622 -3.310) 12.738 19.171 ( 0.429 0.063 0.020) 0.434 19.845 ( 0.015 0.388 0.027) 0.389 37.492 ( -1.295 0.135 -0.298) 1.336 59.858 ( -5.233 3.644 -0.354) 6.386 ======================= Grid point 60 (42/413) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -3.209 10.533 -15.025) 18.628 2.466 ( -11.310 10.031 3.677) 15.558 3.090 ( 1.139 -12.504 -1.390) 12.632 4.187 ( 2.930 -3.261 8.964) 9.979 4.412 ( -0.133 8.956 -0.439) 8.968 4.816 ( 5.500 3.738 -2.414) 7.074 4.900 ( 2.566 1.619 3.090) 4.331 5.195 ( 0.429 1.779 -0.843) 2.015 5.723 ( 10.934 -1.257 -4.822) 12.016 6.058 ( -10.960 -14.103 5.168) 18.594 6.252 ( -6.406 -6.669 -4.334) 10.213 19.175 ( 0.260 0.040 0.033) 0.265 19.839 ( -0.026 0.516 0.013) 0.517 37.477 ( -0.668 -0.094 -0.174) 0.697 59.768 ( -2.110 2.012 -1.080) 3.109 ======================= Grid point 61 (43/413) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 12.980 0.000) 12.980 2.243 ( 0.000 12.652 0.000) 12.652 3.237 ( -0.000 -8.722 -0.000) 8.722 4.244 ( 0.000 4.947 0.000) 4.947 4.290 ( 0.000 5.394 0.000) 5.394 4.683 ( 0.000 15.023 0.000) 15.023 4.926 ( 0.000 0.623 0.000) 0.623 5.186 ( 0.000 0.186 0.000) 0.186 5.800 ( 0.000 2.747 0.000) 2.747 6.246 ( -0.000 -2.046 -0.000) 2.046 6.275 ( -0.000 -27.170 -0.000) 27.170 19.176 ( 0.000 0.038 0.000) 0.038 19.831 ( 0.000 0.613 0.000) 0.613 37.475 ( -0.000 -0.279 -0.000) 0.279 59.738 ( -0.000 -0.164 -0.000) 0.164 ======================= Grid point 70 (44/413) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 7.924 0.000 -1.110) 8.002 2.595 ( -7.226 -0.000 -29.898) 30.759 3.178 ( -22.159 -0.000 8.049) 23.576 3.991 ( 11.206 0.000 16.591) 20.021 4.080 ( 8.910 0.000 -0.003) 8.910 4.606 ( 6.290 0.000 1.689) 6.513 4.707 ( 1.974 0.000 -3.295) 3.841 5.632 ( -13.666 -0.000 -10.791) 17.413 5.699 ( 2.596 0.000 0.958) 2.767 5.901 ( 0.917 0.000 1.089) 1.424 5.999 ( 0.470 0.000 -0.895) 1.011 19.166 ( 0.526 0.000 -0.031) 0.527 19.852 ( 0.129 0.000 0.047) 0.137 37.515 ( -1.338 -0.000 0.094) 1.341 60.074 ( -10.799 -0.000 1.981) 10.979 ======================= Grid point 71 (45/413) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -3.015 3.661 -22.256) 22.755 2.523 ( 4.485 -8.908 -1.933) 10.159 2.909 ( -19.603 2.619 7.249) 21.064 4.079 ( 6.284 5.185 9.463) 12.487 4.322 ( 7.636 -11.811 0.501) 14.073 4.663 ( 1.733 0.962 1.977) 2.800 4.774 ( 7.192 -1.066 -0.311) 7.277 5.397 ( -8.138 4.258 -5.656) 10.787 5.726 ( 1.324 1.385 -0.748) 2.057 5.915 ( -0.729 -1.301 0.804) 1.695 6.037 ( -1.483 -5.314 -1.044) 5.615 19.172 ( 0.376 0.026 -0.016) 0.377 19.853 ( 0.050 0.141 0.023) 0.152 37.494 ( -1.528 0.020 -0.422) 1.585 59.947 ( -6.946 2.074 0.966) 7.313 ======================= Grid point 72 (46/413) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -1.635 6.693 -13.220) 14.908 2.668 ( -10.357 3.827 4.082) 11.772 2.722 ( 1.232 -11.855 -0.492) 11.929 4.140 ( 2.950 0.570 6.296) 6.976 4.544 ( 3.920 -4.830 -1.620) 6.428 4.682 ( 1.580 -5.026 1.004) 5.363 4.886 ( 5.952 -0.775 1.573) 6.205 5.257 ( -4.343 1.982 -2.378) 5.333 5.714 ( 2.457 2.190 -1.485) 3.611 5.908 ( -3.419 -0.756 1.114) 3.674 6.081 ( -2.163 -5.630 -1.134) 6.137 19.176 ( 0.212 0.016 0.003) 0.213 19.850 ( 0.009 0.285 0.009) 0.285 37.474 ( -0.955 -0.055 -0.361) 1.022 59.847 ( -3.117 2.988 0.158) 4.321 ======================= Grid point 73 (47/413) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 0.000 9.323 0.000) 9.323 2.518 ( 0.000 7.642 0.000) 7.642 2.916 ( -0.000 -13.851 -0.000) 13.851 4.187 ( -0.000 -2.173 -0.000) 2.173 4.517 ( 0.000 6.526 0.000) 6.526 4.840 ( -0.000 -7.784 -0.000) 7.784 4.936 ( 0.000 0.218 0.000) 0.218 5.202 ( 0.000 1.070 0.000) 1.070 5.760 ( -0.000 -6.973 -0.000) 6.973 5.862 ( 0.000 1.813 0.000) 1.813 6.133 ( -0.000 -5.319 -0.000) 5.319 19.177 ( 0.000 0.011 0.000) 0.011 19.845 ( 0.000 0.419 0.000) 0.419 37.469 ( -0.000 -0.169 -0.000) 0.169 59.786 ( 0.000 2.977 0.000) 2.977 ======================= Grid point 84 (48/413) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -1.159 -0.000 -12.387) 12.441 2.501 ( 2.597 0.000 -0.458) 2.637 2.742 ( -11.357 -0.000 4.488) 12.211 4.247 ( 3.250 0.000 0.190) 3.255 4.265 ( 3.171 0.000 3.501) 4.723 4.688 ( -0.345 -0.000 2.224) 2.251 4.879 ( 7.628 0.000 0.730) 7.663 5.287 ( -6.804 -0.000 -3.966) 7.875 5.758 ( 1.128 0.000 0.472) 1.223 5.903 ( -0.450 -0.000 0.074) 0.456 5.996 ( -0.047 -0.000 -0.476) 0.478 19.176 ( 0.189 0.000 -0.011) 0.189 19.854 ( 0.015 0.000 0.006) 0.016 37.474 ( -1.023 -0.000 -0.404) 1.100 59.893 ( -3.587 -0.000 0.502) 3.622 ======================= Grid point 85 (49/413) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 4.553 0.000) 4.553 2.579 ( -0.000 -8.292 -0.000) 8.292 2.659 ( 0.000 2.263 0.000) 2.263 4.198 ( 0.000 3.767 0.000) 3.767 4.428 ( -0.000 -12.584 -0.000) 12.584 4.678 ( 0.000 1.345 0.000) 1.345 4.940 ( 0.000 0.093 0.000) 0.093 5.224 ( 0.000 0.431 0.000) 0.431 5.754 ( 0.000 1.697 0.000) 1.697 5.896 ( 0.000 0.635 0.000) 0.635 6.013 ( -0.000 -2.687 -0.000) 2.687 19.177 ( -0.000 -0.000 -0.000) 0.000 19.853 ( 0.000 0.146 0.000) 0.146 37.466 ( -0.000 -0.048 -0.000) 0.048 59.858 ( 0.000 1.700 0.000) 1.700 ======================= Grid point 169 (50/413) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( -11.200 -0.000 16.246) 19.733 0.474 ( -23.312 -0.000 23.471) 33.081 1.163 ( 23.983 0.000 55.008) 60.009 2.557 ( 0.726 0.000 -3.630) 3.702 3.199 ( 3.382 0.000 -2.740) 4.352 4.750 ( -1.399 -0.000 -7.901) 8.024 5.323 ( 23.595 0.000 2.428) 23.720 5.330 ( 0.182 0.000 0.859) 0.878 5.362 ( 17.763 0.000 2.186) 17.897 5.842 ( -0.157 -0.000 -0.254) 0.298 7.486 ( -65.796 -0.000 -11.065) 66.720 19.091 ( -0.001 -0.000 -0.078) 0.078 19.784 ( -0.289 -0.000 0.179) 0.340 37.492 ( 0.810 0.000 0.280) 0.857 62.301 ( 74.782 0.000 0.061) 74.782 ======================= Grid point 170 (51/413) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 17.032 -12.950 11.409) 24.248 0.794 ( 6.283 -43.047 4.892) 43.777 1.792 ( 29.238 -2.903 49.200) 57.306 2.663 ( 5.280 -10.715 -3.131) 12.349 3.308 ( 9.694 -3.641 -0.865) 10.391 4.497 ( -8.310 12.318 -10.495) 18.192 5.249 ( 4.655 8.260 4.881) 10.664 5.366 ( -1.700 1.273 4.566) 5.036 5.697 ( 6.887 -0.431 1.449) 7.051 5.869 ( 1.037 -3.574 1.732) 4.104 7.166 ( -12.128 -21.914 -20.991) 32.680 19.102 ( -0.127 -1.324 -0.620) 1.468 19.791 ( 0.715 -0.067 -0.079) 0.723 37.486 ( -0.419 1.447 0.997) 1.806 62.275 ( 1.884 44.902 14.912) 47.351 ======================= Grid point 171 (52/413) ======================= q-point: ( 0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 22.949 -15.032 5.780) 28.036 1.488 ( 10.944 -38.267 2.405) 39.874 2.406 ( 24.590 -4.144 36.696) 44.367 2.931 ( 8.975 -14.374 3.215) 17.248 3.529 ( 12.106 -7.658 0.022) 14.325 4.204 ( -5.720 8.004 -16.410) 19.133 5.233 ( 3.442 5.945 2.135) 7.194 5.313 ( -3.107 4.362 4.176) 6.791 5.725 ( -1.298 1.129 4.683) 4.989 5.984 ( 2.584 -6.783 5.420) 9.059 7.215 ( -2.834 -13.409 -28.049) 31.218 19.114 ( -0.114 -1.115 -0.550) 1.249 19.801 ( 0.667 -0.115 -0.096) 0.684 37.464 ( -0.625 1.295 1.528) 2.098 61.733 ( -9.297 37.431 22.174) 44.488 ======================= Grid point 172 (53/413) ======================= q-point: ( 0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 23.925 -14.456 3.548) 28.177 2.118 ( 10.770 -30.794 4.384) 32.916 2.850 ( 14.660 -6.189 14.382) 21.449 3.295 ( 11.111 -10.476 16.528) 22.503 3.840 ( 13.412 -12.681 -0.470) 18.464 3.967 ( -4.462 4.941 -18.261) 19.437 5.161 ( -4.101 5.694 0.803) 7.063 5.228 ( 2.159 8.192 1.366) 8.581 5.700 ( -3.666 0.434 4.114) 5.527 6.149 ( 2.910 -8.025 4.950) 9.867 7.198 ( -2.566 -7.568 -24.092) 25.383 19.124 ( -0.036 -0.871 -0.340) 0.936 19.811 ( 0.572 -0.163 -0.018) 0.595 37.455 ( 0.053 0.556 1.981) 2.059 61.225 ( -11.958 30.031 17.457) 36.737 ======================= Grid point 173 (54/413) ======================= q-point: ( 0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 22.759 -12.868 2.078) 26.228 2.640 ( 9.634 -22.090 8.162) 25.444 3.124 ( 8.500 -7.261 0.072) 11.180 3.544 ( 0.495 -2.292 -1.285) 2.674 3.785 ( -0.631 -0.234 -5.378) 5.420 4.255 ( 14.650 -14.294 8.656) 22.223 4.998 ( -7.377 6.833 0.827) 10.089 5.158 ( 4.655 8.587 -2.045) 9.979 5.649 ( -6.078 0.053 3.153) 6.847 6.302 ( 2.168 -7.271 0.121) 7.588 7.156 ( -1.956 -4.802 -16.323) 17.127 19.133 ( -0.027 -0.610 -0.183) 0.638 19.820 ( 0.452 -0.159 0.051) 0.482 37.466 ( 0.716 0.043 2.144) 2.260 60.763 ( -12.204 23.830 11.341) 29.075 ======================= Grid point 174 (55/413) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 18.505 -9.813 -0.010) 20.946 3.017 ( 6.681 -6.605 8.237) 12.494 3.249 ( -1.825 -10.371 -16.415) 19.502 3.431 ( -0.945 0.573 -8.655) 8.725 3.897 ( 2.234 -5.058 9.901) 11.340 4.641 ( 10.482 -8.899 12.238) 18.408 4.808 ( -8.112 5.496 0.536) 9.813 5.111 ( 5.924 6.838 -3.760) 9.797 5.562 ( -8.720 0.420 2.587) 9.105 6.410 ( 2.748 -6.473 -4.826) 8.529 7.136 ( -0.878 -3.110 -8.221) 8.833 19.138 ( -0.041 -0.360 -0.084) 0.372 19.827 ( 0.293 -0.112 0.102) 0.330 37.485 ( 0.720 0.197 1.677) 1.836 60.373 ( -10.156 16.766 5.680) 20.408 ======================= Grid point 175 (56/413) ======================= q-point: ( 0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -7.423 6.249 -21.269) 23.377 3.078 ( 8.325 -4.616 -1.406) 9.622 3.382 ( -3.134 -4.643 2.085) 5.977 3.499 ( 9.638 -7.676 -0.906) 12.355 4.016 ( 0.159 -4.076 9.011) 9.891 4.663 ( -3.715 2.314 -0.205) 4.382 4.844 ( -0.438 -0.176 11.122) 11.132 5.093 ( 6.292 4.219 -4.781) 8.958 5.433 ( -10.264 0.006 0.599) 10.282 6.533 ( 5.054 -6.091 -2.362) 8.260 7.135 ( -0.006 -2.072 -4.479) 4.935 19.141 ( -0.014 -0.159 -0.015) 0.161 19.831 ( 0.104 -0.050 0.147) 0.186 37.490 ( 0.156 0.869 0.792) 1.185 60.105 ( -6.321 8.367 0.583) 10.502 ======================= Grid point 176 (57/413) ======================= q-point: (-0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -13.772 7.284 -27.312) 31.443 3.114 ( -6.761 7.484 4.265) 10.950 3.373 ( 1.413 -1.200 -3.425) 3.895 3.733 ( 7.671 -5.062 1.209) 9.270 4.107 ( 0.820 -2.951 9.469) 9.952 4.658 ( 1.398 -2.257 1.237) 2.929 4.708 ( -11.885 9.257 3.045) 15.370 5.122 ( 3.933 1.603 -1.373) 4.464 5.341 ( -5.848 -4.079 -2.364) 7.512 6.616 ( 0.484 2.204 0.986) 2.462 7.198 ( 4.798 -6.862 -1.743) 8.552 19.142 ( 0.055 0.026 0.030) 0.068 19.832 ( -0.099 0.004 0.192) 0.216 37.474 ( -0.261 1.422 0.214) 1.461 59.988 ( -2.131 -0.337 -4.232) 4.750 ======================= Grid point 177 (58/413) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -15.673 7.060 -27.724) 32.620 2.808 ( -15.108 16.009 4.606) 22.489 3.370 ( -0.840 1.336 -3.984) 4.285 3.762 ( -4.209 9.048 5.677) 11.481 4.158 ( -5.150 3.780 -0.667) 6.423 4.433 ( -3.296 4.470 4.362) 7.062 4.776 ( 2.905 -7.736 -0.576) 8.284 5.132 ( -0.246 -1.190 -1.181) 1.695 5.341 ( -2.334 -3.692 -2.957) 5.275 6.487 ( -5.161 10.160 -0.954) 11.436 7.424 ( 8.532 -10.776 3.663) 14.224 19.142 ( 0.152 0.253 0.050) 0.299 19.830 ( -0.301 0.026 0.241) 0.386 37.454 ( 0.038 1.354 0.495) 1.442 60.007 ( 0.655 -7.581 -9.039) 11.816 ======================= Grid point 178 (59/413) ======================= q-point: (-0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -17.485 7.940 -26.423) 32.664 2.359 ( -18.358 19.831 4.741) 27.437 3.273 ( -3.377 6.391 -4.415) 8.470 3.395 ( -21.454 22.829 11.381) 33.331 3.902 ( -9.176 8.701 -8.936) 15.484 4.538 ( 6.595 -5.146 0.931) 8.416 4.911 ( 2.636 -6.563 -1.932) 7.332 5.150 ( -0.888 -3.201 -1.391) 3.602 5.324 ( -2.831 -0.929 -2.256) 3.737 6.251 ( -5.915 11.109 -2.210) 12.778 7.713 ( 8.439 -10.805 7.842) 15.794 19.140 ( 0.315 0.534 0.044) 0.622 19.826 ( -0.500 -0.028 0.280) 0.574 37.449 ( 0.833 0.783 1.380) 1.792 60.103 ( 0.846 -11.752 -13.665) 18.043 ======================= Grid point 179 (60/413) ======================= q-point: (-0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -18.806 9.697 -21.417) 30.106 1.840 ( -20.087 22.158 5.471) 30.404 2.726 ( -29.027 28.960 9.469) 42.082 3.115 ( -5.550 8.386 -1.934) 10.240 3.615 ( -8.551 10.333 -8.150) 15.694 4.660 ( 3.459 -4.815 -12.612) 13.936 4.976 ( -2.507 -3.043 -0.229) 3.950 5.171 ( -0.786 -2.423 0.240) 2.559 5.307 ( 1.799 0.190 0.139) 1.815 6.042 ( -4.052 8.024 -1.701) 9.148 8.006 ( 7.235 -10.808 10.677) 16.827 19.137 ( 0.612 0.883 -0.042) 1.075 19.821 ( -0.719 -0.209 0.256) 0.791 37.465 ( 1.291 0.219 1.902) 2.309 60.197 ( -1.368 -11.707 -16.022) 19.890 ======================= Grid point 180 (61/413) ======================= q-point: (-0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -13.479 11.673 -0.554) 17.840 1.286 ( -20.444 23.528 7.320) 32.017 1.947 ( -34.342 29.931 11.703) 47.034 2.894 ( -5.913 11.317 -1.854) 12.902 3.358 ( -4.948 7.962 -5.955) 11.106 4.599 ( -4.486 -2.019 -27.708) 28.142 4.975 ( -2.561 -0.458 10.126) 10.455 5.215 ( 2.860 -1.214 1.234) 3.343 5.358 ( 5.074 0.807 0.823) 5.203 5.916 ( -1.895 4.237 -0.473) 4.665 8.285 ( 3.319 -12.670 7.768) 15.228 19.131 ( 1.012 1.433 -0.472) 1.817 19.815 ( -1.078 -0.533 -0.030) 1.203 37.486 ( 0.692 -0.010 1.039) 1.248 60.246 ( -0.501 -7.138 -4.418) 8.409 ======================= Grid point 181 (62/413) ======================= q-point: (-0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 8.614 8.145 37.669) 39.490 0.752 ( -14.299 24.400 14.090) 31.597 1.154 ( -36.414 23.783 20.761) 48.193 2.669 ( -3.726 9.521 -2.487) 10.522 3.228 ( -0.941 3.207 -3.510) 4.846 4.516 ( 6.474 -7.109 -10.340) 14.120 5.008 ( 1.545 0.391 9.423) 9.556 5.283 ( 3.661 -0.836 3.153) 4.903 5.395 ( 6.143 6.082 -0.277) 8.649 5.860 ( -0.732 1.767 0.068) 1.914 8.356 ( -25.165 -9.723 -22.481) 35.117 19.114 ( 0.665 2.374 -1.383) 2.827 19.802 ( -1.831 -0.496 -0.747) 2.039 37.487 ( -0.452 -0.029 -0.540) 0.704 60.664 ( 49.260 -16.626 55.553) 76.086 ======================= Grid point 183 (63/413) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 17.667 0.000 6.902) 18.967 1.020 ( 34.702 0.000 4.576) 35.002 2.385 ( 29.120 0.000 44.230) 52.956 2.679 ( 10.447 0.000 -4.205) 11.262 3.427 ( 10.957 0.000 1.348) 11.039 4.354 ( -13.711 -0.000 -13.960) 19.567 5.368 ( 1.847 0.000 1.281) 2.248 5.383 ( -0.255 -0.000 7.496) 7.500 5.782 ( 0.625 0.000 9.654) 9.675 5.850 ( 0.995 0.000 -0.500) 1.114 6.896 ( 5.618 0.000 -29.481) 30.012 19.095 ( 0.369 0.000 -0.097) 0.381 19.800 ( 0.746 0.000 -0.261) 0.791 37.491 ( -1.260 -0.000 1.835) 2.225 62.382 ( -26.261 -0.000 8.605) 27.635 ======================= Grid point 184 (64/413) ======================= q-point: ( 0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 15.534 -25.705 4.434) 30.360 1.555 ( 34.160 -7.155 2.707) 35.006 2.801 ( 15.857 1.353 7.614) 17.642 3.012 ( 21.407 -9.131 27.551) 36.065 3.599 ( 9.653 -4.194 1.487) 10.629 4.088 ( -10.740 3.149 -17.955) 21.157 5.347 ( 0.978 6.572 1.423) 6.795 5.409 ( 3.231 3.442 4.771) 6.712 5.755 ( -2.675 4.448 5.370) 7.469 5.937 ( 0.696 -7.176 5.129) 8.848 6.889 ( 0.562 -11.095 -33.655) 35.442 19.104 ( 0.436 -0.488 -0.156) 0.672 19.808 ( 0.675 -0.031 -0.146) 0.692 37.479 ( -0.767 0.836 2.541) 2.783 61.932 ( -25.776 17.146 12.329) 33.322 ======================= Grid point 185 (65/413) ======================= q-point: ( 0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 13.607 -27.637 3.134) 30.964 2.118 ( 29.824 -10.544 2.437) 31.727 3.017 ( 13.103 -2.043 1.313) 13.326 3.478 ( 11.950 -2.947 26.679) 29.381 3.789 ( -0.167 -3.620 -14.398) 14.847 3.891 ( 4.202 -6.582 -3.374) 8.507 5.239 ( -0.521 10.280 0.368) 10.300 5.400 ( 4.623 7.595 0.919) 8.939 5.666 ( -6.217 2.496 3.006) 7.343 6.076 ( 0.063 -8.898 3.976) 9.746 6.892 ( -3.387 -13.220 -28.067) 31.209 19.116 ( 0.421 -0.541 -0.159) 0.704 19.817 ( 0.615 -0.050 -0.010) 0.617 37.478 ( 0.315 0.683 2.931) 3.026 61.403 ( -22.323 20.637 10.767) 32.251 ======================= Grid point 186 (66/413) ======================= q-point: ( 0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 12.385 -24.543 1.812) 27.550 2.638 ( 24.013 -11.032 3.123) 26.609 3.192 ( 8.161 -0.341 -2.891) 8.665 3.470 ( -6.949 2.743 -17.030) 18.596 3.802 ( 3.398 -2.351 11.692) 12.401 4.269 ( 12.705 -15.863 11.072) 23.144 5.061 ( -2.890 11.858 -1.879) 12.349 5.347 ( 5.735 9.714 -1.729) 11.412 5.556 ( -9.121 -0.092 1.501) 9.244 6.199 ( -0.818 -8.815 -1.081) 8.919 6.916 ( -3.778 -12.749 -17.502) 21.980 19.127 ( 0.359 -0.412 -0.128) 0.561 19.825 ( 0.505 -0.021 0.080) 0.512 37.493 ( 0.970 0.432 2.800) 2.994 60.893 ( -18.867 19.656 7.185) 28.177 ======================= Grid point 187 (67/413) ======================= q-point: ( 0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 10.346 -18.598 0.496) 21.288 2.995 ( -6.469 -2.371 -24.164) 25.127 3.106 ( 10.458 -1.779 5.434) 11.919 3.449 ( 8.569 -1.609 -4.698) 9.904 3.923 ( 1.898 -2.776 10.572) 11.094 4.640 ( 4.067 -10.360 12.165) 16.488 4.858 ( -1.522 8.438 -3.038) 9.096 5.279 ( 4.640 9.109 -2.703) 10.574 5.442 ( -9.508 -0.245 0.799) 9.545 6.300 ( 0.698 -9.541 -4.311) 10.493 6.969 ( -3.818 -10.683 -8.818) 14.369 19.136 ( 0.304 -0.232 -0.086) 0.391 19.831 ( 0.336 0.043 0.129) 0.363 37.510 ( 0.773 0.634 2.045) 2.276 60.450 ( -14.620 15.794 3.377) 21.785 ======================= Grid point 188 (68/413) ======================= q-point: ( 0.46 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -14.735 6.843 -28.287) 32.621 3.039 ( 5.966 -14.557 -2.447) 15.922 3.313 ( -0.783 -0.836 9.758) 9.825 3.612 ( 15.856 -2.735 -3.750) 16.521 4.030 ( 2.325 -2.669 8.313) 9.035 4.624 ( -4.655 2.298 -2.295) 5.675 4.901 ( 0.858 -0.149 7.980) 8.027 5.213 ( 1.129 5.051 0.419) 5.193 5.305 ( -6.664 2.492 -3.616) 7.981 6.461 ( 3.307 -11.349 -1.124) 11.874 7.009 ( -4.517 -8.344 -5.636) 11.036 19.141 ( 0.313 -0.076 -0.033) 0.324 19.834 ( 0.131 0.112 0.160) 0.235 37.511 ( 0.100 1.174 1.042) 1.573 60.121 ( -9.656 9.620 -0.176) 13.632 ======================= Grid point 189 (69/413) ======================= q-point: (-0.46 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -15.379 6.734 -27.953) 32.607 3.139 ( -8.546 7.771 5.827) 12.938 3.291 ( -1.909 -6.906 -0.131) 7.166 3.844 ( 13.500 -0.989 -3.150) 13.898 4.129 ( 2.399 -2.384 6.413) 7.251 4.583 ( -1.427 -1.837 -3.707) 4.376 4.805 ( -4.212 11.733 5.691) 13.703 5.115 ( -8.221 0.135 1.992) 8.460 5.281 ( 5.575 0.198 -4.501) 7.168 6.603 ( -1.731 -3.726 1.396) 4.339 7.073 ( -1.298 -13.007 -3.423) 13.513 19.146 ( 0.382 0.064 0.015) 0.388 19.833 ( -0.088 0.170 0.182) 0.264 37.494 ( -0.254 1.472 0.476) 1.568 59.935 ( -5.055 2.407 -3.352) 6.526 ======================= Grid point 190 (70/413) ======================= q-point: (-0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -14.699 7.799 -24.499) 29.615 2.808 ( -19.412 14.173 7.562) 25.197 3.343 ( -0.501 -1.561 -2.127) 2.686 3.896 ( 2.664 8.893 -1.092) 9.348 4.150 ( -5.879 7.426 -0.022) 9.472 4.457 ( -1.179 3.403 -3.693) 5.158 4.788 ( 6.954 -1.480 3.209) 7.800 5.064 ( -3.839 -2.947 1.539) 5.079 5.323 ( 3.705 0.892 -2.700) 4.671 6.509 ( -7.363 6.105 -1.361) 9.661 7.299 ( 1.166 -18.770 1.692) 18.882 19.150 ( 0.488 0.225 0.029) 0.538 19.829 ( -0.311 0.206 0.196) 0.422 37.476 ( 0.088 1.145 0.662) 1.326 59.882 ( -2.053 -3.997 -5.752) 7.298 ======================= Grid point 191 (71/413) ======================= q-point: (-0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -13.202 10.614 -17.133) 24.093 2.345 ( -23.649 16.362 7.978) 29.844 3.302 ( -0.956 4.437 -2.090) 4.997 3.583 ( -12.339 29.952 6.465) 33.033 3.876 ( -6.063 9.307 -8.574) 14.032 4.508 ( 3.871 -5.801 -13.092) 14.833 4.920 ( 5.334 -1.177 5.139) 7.500 5.094 ( 0.218 -3.085 3.363) 4.569 5.340 ( 4.470 1.967 -2.085) 5.310 6.291 ( -7.027 9.012 -2.506) 11.699 7.584 ( -0.541 -19.852 4.627) 20.391 19.153 ( 0.641 0.392 -0.030) 0.752 19.821 ( -0.535 0.206 0.188) 0.603 37.474 ( 0.637 0.445 1.079) 1.330 59.920 ( -0.840 -7.888 -5.898) 9.885 ======================= Grid point 192 (72/413) ======================= q-point: (-0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -6.805 14.255 0.679) 15.811 1.823 ( -25.169 17.902 9.039) 32.182 2.947 ( -14.493 38.745 5.033) 41.672 3.192 ( -0.776 9.363 -0.603) 9.415 3.631 ( -5.144 10.920 -6.850) 13.879 4.513 ( -1.066 -4.331 -25.551) 25.938 4.992 ( 1.109 1.379 10.540) 10.687 5.170 ( 2.870 -2.058 4.017) 5.348 5.395 ( 9.129 1.984 -1.726) 9.500 6.089 ( -3.943 7.959 -1.633) 9.032 7.847 ( -3.885 -19.703 4.397) 20.558 19.156 ( 0.809 0.529 -0.308) 1.015 19.811 ( -0.743 0.175 0.143) 0.777 37.485 ( 0.503 -0.042 0.726) 0.884 60.017 ( 1.149 -8.802 0.559) 8.895 ======================= Grid point 193 (73/413) ======================= q-point: (-0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 10.727 13.865 31.459) 36.013 1.292 ( -22.751 19.096 11.773) 31.951 2.224 ( -12.136 44.634 5.624) 46.595 3.025 ( -0.459 13.828 0.077) 13.836 3.412 ( -1.393 9.867 -4.825) 11.071 4.400 ( -2.268 -2.547 -26.161) 26.383 5.031 ( 0.976 1.268 9.793) 9.923 5.253 ( 2.846 -1.497 4.721) 5.712 5.499 ( 11.316 2.483 -1.315) 11.660 5.963 ( -0.815 5.707 0.096) 5.765 8.007 ( -12.033 -16.204 -3.791) 20.536 19.155 ( 0.653 0.745 -1.159) 1.524 19.798 ( -0.806 0.202 0.096) 0.836 37.487 ( -0.519 -0.018 -0.615) 0.805 60.269 ( 12.883 -12.470 22.995) 29.159 ======================= Grid point 194 (74/413) ======================= q-point: (-0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -9.090 20.984 11.986) 25.819 1.177 ( 17.079 11.818 40.070) 45.133 1.524 ( -0.812 43.112 14.839) 45.602 2.823 ( 0.884 15.400 -0.922) 15.453 3.296 ( 3.951 6.977 -3.193) 8.630 4.384 ( 1.800 -10.690 -13.552) 17.354 5.090 ( 3.394 -1.283 7.148) 8.016 5.326 ( 1.368 -1.716 4.794) 5.273 5.604 ( 10.621 2.930 -0.942) 11.058 5.901 ( 0.745 4.284 1.408) 4.570 7.802 ( -27.156 3.605 -20.686) 34.327 19.136 ( -0.317 1.543 -2.014) 2.557 19.788 ( -0.152 0.282 0.183) 0.369 37.474 ( -0.644 -0.431 -0.496) 0.920 61.107 ( 35.726 -41.949 47.558) 72.786 ======================= Grid point 197 (75/413) ======================= q-point: ( 0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 19.482 0.000 4.055) 19.900 1.986 ( 33.866 0.000 3.562) 34.053 2.993 ( 15.241 0.000 -4.311) 15.839 3.402 ( 19.142 0.000 33.187) 38.312 3.683 ( 6.009 0.000 0.962) 6.085 3.876 ( -9.928 -0.000 -18.618) 21.099 5.444 ( 2.853 0.000 1.303) 3.136 5.477 ( 2.840 0.000 1.226) 3.093 5.791 ( -7.829 -0.000 12.390) 14.656 5.884 ( 1.819 0.000 -0.575) 1.907 6.640 ( -2.102 -0.000 -36.520) 36.580 19.108 ( 0.668 0.000 -0.093) 0.674 19.817 ( 0.668 0.000 -0.046) 0.669 37.490 ( -0.188 -0.000 3.092) 3.098 61.712 ( -28.584 -0.000 8.719) 29.884 ======================= Grid point 198 (76/413) ======================= q-point: ( 0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 16.592 -16.941 3.042) 23.907 2.459 ( 30.575 -3.141 3.635) 30.950 3.183 ( 14.978 0.001 -3.261) 15.329 3.536 ( -10.244 1.213 -17.378) 20.209 3.758 ( 2.656 -1.076 12.774) 13.091 3.917 ( 14.598 -7.549 12.164) 20.446 5.400 ( 0.845 11.100 -0.439) 11.141 5.480 ( -1.853 0.225 -4.159) 4.558 5.685 ( -4.061 7.461 9.221) 12.538 5.958 ( -0.706 -7.343 -0.690) 7.409 6.530 ( -4.453 -12.442 -28.692) 31.589 19.119 ( 0.709 -0.189 -0.095) 0.740 19.825 ( 0.628 0.007 0.064) 0.631 37.505 ( 0.611 0.313 3.161) 3.235 61.311 ( -26.006 9.055 6.289) 28.247 ======================= Grid point 199 (77/413) ======================= q-point: ( 0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 12.748 -22.379 1.476) 25.797 2.879 ( 20.389 -3.427 -1.298) 20.716 3.211 ( -6.151 4.613 -15.909) 17.670 3.404 ( 10.526 -1.386 -6.738) 12.575 3.852 ( 0.648 -2.926 9.344) 9.813 4.306 ( 11.794 -11.131 16.781) 23.337 5.162 ( -7.965 11.862 -6.595) 15.737 5.430 ( -3.316 0.638 -1.185) 3.579 5.568 ( 2.060 11.710 2.096) 12.074 6.044 ( -1.647 -9.352 -3.742) 10.207 6.580 ( -4.696 -16.877 -14.770) 22.914 19.130 ( 0.651 -0.168 -0.093) 0.679 19.833 ( 0.513 0.064 0.125) 0.532 37.524 ( 0.809 0.377 2.624) 2.771 60.862 ( -21.819 12.709 3.820) 25.538 ======================= Grid point 200 (78/413) ======================= q-point: ( 0.38 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 8.517 -21.915 -1.602) 23.567 2.752 ( -14.045 4.332 -27.666) 31.328 3.307 ( 13.722 0.380 10.375) 17.207 3.560 ( 13.416 -1.266 -4.992) 14.370 3.951 ( 2.402 -3.590 7.480) 8.638 4.623 ( 2.802 -7.049 12.037) 14.228 4.888 ( -6.342 5.097 -6.913) 10.677 5.337 ( -6.433 4.074 3.780) 8.501 5.467 ( 4.780 9.068 -5.105) 11.452 6.147 ( -0.017 -10.689 -3.081) 11.125 6.686 ( -5.835 -15.410 -7.441) 18.080 19.139 ( 0.583 -0.066 -0.070) 0.591 19.838 ( 0.334 0.151 0.145) 0.394 37.535 ( 0.244 0.599 1.590) 1.716 60.442 ( -16.720 12.495 1.482) 20.926 ======================= Grid point 201 (79/413) ======================= q-point: ( 0.46 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -15.103 5.159 -29.135) 33.220 2.887 ( 6.267 -17.554 -0.495) 18.646 3.377 ( -4.466 6.208 10.873) 13.293 3.776 ( 15.603 -3.242 -1.524) 16.009 4.081 ( 6.459 -2.119 3.828) 7.802 4.578 ( -4.544 1.871 -5.794) 7.597 4.905 ( -0.647 -3.503 5.754) 6.768 5.215 ( -5.633 5.431 6.188) 9.976 5.385 ( 4.610 7.501 -6.346) 10.853 6.316 ( 1.103 -13.572 0.253) 13.619 6.755 ( -7.801 -12.456 -5.650) 15.746 19.147 ( 0.565 0.022 -0.022) 0.566 19.839 ( 0.131 0.239 0.148) 0.310 37.527 ( -0.520 0.925 0.536) 1.188 60.108 ( -11.240 9.308 -0.517) 14.603 ======================= Grid point 202 (80/413) ======================= q-point: (-0.46 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -11.960 6.826 -23.476) 27.217 3.127 ( -5.646 -0.089 2.583) 6.210 3.173 ( -8.466 -1.039 6.490) 10.718 3.996 ( 12.147 -1.169 -2.585) 12.474 4.173 ( 4.590 0.859 -1.013) 4.778 4.549 ( 2.544 -1.500 -5.287) 6.056 4.906 ( -2.460 3.328 7.252) 8.350 5.073 ( -3.515 7.505 3.212) 8.888 5.369 ( 5.658 2.733 -3.157) 7.033 6.487 ( -3.375 -9.144 2.068) 9.964 6.799 ( -7.163 -15.514 -4.572) 17.689 19.154 ( 0.587 0.089 0.020) 0.594 19.836 ( -0.069 0.320 0.148) 0.360 37.505 ( -0.762 0.949 0.015) 1.217 59.893 ( -6.309 4.394 -1.875) 7.914 ======================= Grid point 203 (81/413) ======================= q-point: (-0.38 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -7.911 9.689 -13.757) 18.593 2.750 ( -22.938 13.639 9.443) 28.308 3.293 ( 1.075 -5.537 -0.803) 5.697 4.040 ( 4.189 8.004 -5.485) 10.569 4.193 ( 0.518 2.971 -4.087) 5.079 4.483 ( -1.277 8.608 -8.119) 11.902 4.912 ( 4.393 1.083 12.593) 13.381 5.036 ( 3.388 0.176 1.265) 3.621 5.400 ( 5.715 2.177 -2.580) 6.638 6.447 ( -8.063 1.310 -1.595) 8.323 6.981 ( -5.973 -23.341 0.656) 24.102 19.160 ( 0.602 0.156 0.008) 0.622 19.830 ( -0.251 0.399 0.146) 0.493 37.487 ( -0.370 0.489 0.092) 0.620 59.801 ( -2.636 -0.688 -1.777) 3.253 ======================= Grid point 204 (82/413) ======================= q-point: (-0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -1.911 13.338 1.962) 13.616 2.279 ( -23.505 15.712 9.232) 29.742 3.334 ( 0.854 0.686 -0.455) 1.186 3.871 ( -3.443 21.784 0.578) 22.062 3.942 ( -3.725 16.968 -5.458) 18.210 4.391 ( 0.860 -3.112 -20.988) 21.235 5.026 ( 2.497 0.679 14.641) 14.868 5.116 ( 4.842 -1.368 2.098) 5.452 5.457 ( 10.121 2.352 -3.151) 10.858 6.286 ( -6.359 5.348 -2.551) 8.692 7.232 ( -7.567 -25.180 3.009) 26.464 19.165 ( 0.565 0.212 -0.114) 0.614 19.820 ( -0.382 0.472 0.139) 0.623 37.484 ( -0.005 -0.078 0.149) 0.168 59.822 ( 0.278 -4.886 1.548) 5.133 ======================= Grid point 205 (83/413) ======================= q-point: (-0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 8.635 14.475 23.877) 29.226 1.802 ( -19.196 18.083 9.051) 27.882 3.281 ( -0.945 13.174 -2.033) 13.363 3.387 ( -3.580 30.793 5.298) 31.450 3.720 ( -0.510 12.330 -5.700) 13.593 4.324 ( -1.204 -3.251 -27.346) 27.565 5.072 ( -0.755 1.586 9.925) 10.080 5.208 ( 2.761 -1.686 5.810) 6.650 5.566 ( 11.841 2.598 -2.272) 12.334 6.139 ( -2.022 6.333 -1.146) 6.746 7.469 ( -8.613 -23.384 1.322) 24.955 19.168 ( 0.366 0.272 -0.451) 0.641 19.809 ( -0.374 0.530 0.142) 0.664 37.484 ( -0.337 -0.189 -0.431) 0.579 59.971 ( 4.721 -9.244 10.817) 14.992 ======================= Grid point 206 (84/413) ======================= q-point: (-0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -5.725 20.596 8.276) 22.923 1.441 ( 15.948 10.677 39.859) 44.239 2.750 ( -2.760 42.585 1.716) 42.708 3.220 ( 1.162 12.367 3.046) 12.789 3.555 ( 4.319 11.639 -4.001) 13.043 4.228 ( -0.282 -3.373 -25.830) 26.051 5.081 ( -0.627 0.063 5.459) 5.495 5.277 ( 0.061 -1.642 5.879) 6.105 5.659 ( 7.066 1.931 0.199) 7.328 6.054 ( 1.774 6.355 1.253) 6.716 7.607 ( -9.891 -15.373 -6.911) 19.542 19.161 ( -0.151 0.539 -1.009) 1.154 19.799 ( -0.081 0.521 0.164) 0.552 37.472 ( -0.963 0.098 -1.045) 1.424 60.345 ( 12.128 -19.159 26.013) 34.509 ======================= Grid point 207 (85/413) ======================= q-point: (-0.08 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 9.505 19.804 6.453) 22.895 1.738 ( 15.363 13.913 32.739) 38.748 2.217 ( 9.933 37.574 12.762) 40.906 3.058 ( 2.238 15.266 1.713) 15.524 3.497 ( 10.367 9.863 -1.637) 14.403 4.201 ( 0.266 -7.168 -19.081) 20.385 5.121 ( 1.750 -2.643 3.290) 4.568 5.304 ( -3.281 -2.466 3.737) 5.551 5.704 ( 1.314 0.465 3.576) 3.837 6.013 ( 3.141 6.547 3.577) 8.094 7.519 ( -9.325 0.791 -19.402) 21.541 19.139 ( -0.555 1.109 -1.159) 1.697 19.796 ( 0.424 0.337 0.100) 0.550 37.457 ( -0.775 -0.366 -0.118) 0.865 61.041 ( 11.457 -36.628 33.405) 50.880 ======================= Grid point 211 (86/413) ======================= q-point: ( 0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 16.561 0.000 3.149) 16.858 2.832 ( 24.140 0.000 0.080) 24.140 3.288 ( -10.253 -0.000 -21.801) 24.092 3.380 ( 15.972 0.000 -3.364) 16.322 3.788 ( -0.795 -0.000 5.277) 5.336 4.152 ( 12.843 0.000 22.372) 25.796 5.319 ( -15.456 -0.000 -7.054) 16.990 5.536 ( 3.215 0.000 1.036) 3.377 5.743 ( 0.917 0.000 6.166) 6.233 5.930 ( 1.898 0.000 -0.568) 1.981 6.226 ( -6.521 -0.000 -25.700) 26.515 19.128 ( 0.811 0.000 -0.080) 0.815 19.834 ( 0.578 0.000 0.127) 0.592 37.529 ( 0.670 0.000 2.719) 2.801 61.047 ( -24.910 -0.000 3.524) 25.158 ======================= Grid point 212 (87/413) ======================= q-point: ( 0.31 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 13.470 -11.815 2.168) 18.048 2.828 ( -12.240 1.351 -27.118) 29.783 3.330 ( 20.683 0.792 4.441) 21.169 3.562 ( 13.666 1.444 -3.183) 14.106 3.822 ( -1.144 -5.006 4.735) 6.986 4.425 ( 8.520 -4.452 20.094) 22.275 5.028 ( -17.735 2.823 -8.953) 20.066 5.509 ( 2.784 8.229 -0.004) 8.687 5.763 ( 1.837 11.308 1.672) 11.578 5.890 ( -0.657 -6.688 -7.752) 10.259 6.224 ( -5.066 -17.454 -9.154) 20.349 19.138 ( 0.781 -0.020 -0.075) 0.785 19.841 ( 0.448 0.070 0.143) 0.476 37.545 ( 0.176 0.160 1.746) 1.762 60.707 ( -21.312 5.669 1.633) 22.113 ======================= Grid point 213 (88/413) ======================= q-point: ( 0.38 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 4.570 -12.075 -7.417) 14.890 2.508 ( -8.517 -1.281 -19.488) 21.306 3.536 ( 4.559 6.021 10.759) 13.145 3.701 ( 13.339 -1.988 -2.494) 13.715 3.966 ( 7.775 -6.711 2.436) 10.556 4.607 ( -4.156 -1.561 3.717) 5.790 4.797 ( -4.005 -1.804 1.619) 4.682 5.402 ( -0.766 9.290 0.782) 9.355 5.615 ( 1.656 8.976 -5.372) 10.591 6.000 ( 0.585 -9.614 -1.069) 9.691 6.357 ( -6.116 -16.345 -4.654) 18.062 19.148 ( 0.707 0.031 -0.055) 0.710 19.845 ( 0.273 0.175 0.127) 0.349 37.543 ( -0.691 0.317 0.563) 0.946 60.363 ( -16.410 8.052 0.276) 18.282 ======================= Grid point 214 (89/413) ======================= q-point: ( 0.46 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -8.948 5.294 -22.564) 24.844 2.739 ( 6.355 -16.697 0.886) 17.888 3.410 ( -14.220 8.156 11.394) 19.964 3.911 ( 11.608 -3.186 0.092) 12.038 4.183 ( 12.374 -2.866 -1.450) 12.784 4.503 ( -1.560 -0.555 -9.272) 9.419 4.887 ( 0.023 -2.712 9.545) 9.923 5.286 ( -1.203 6.606 4.161) 7.899 5.513 ( 2.930 7.452 -5.140) 9.515 6.145 ( -0.769 -11.811 1.485) 11.929 6.442 ( -8.463 -13.314 -4.455) 16.393 19.156 ( 0.649 0.066 -0.013) 0.652 19.845 ( 0.101 0.285 0.109) 0.321 37.524 ( -1.326 0.437 -0.349) 1.439 60.070 ( -11.074 7.527 -0.578) 13.402 ======================= Grid point 215 (90/413) ======================= q-point: (-0.46 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -3.347 8.177 -11.647) 14.619 3.015 ( 2.511 -12.243 0.235) 12.500 3.084 ( -21.159 8.970 11.420) 25.663 4.073 ( 7.045 -3.836 -5.769) 9.880 4.279 ( 7.019 5.610 -7.416) 11.650 4.565 ( 7.749 -3.616 -2.559) 8.926 4.940 ( 0.954 -0.089 8.387) 8.442 5.200 ( -0.471 8.521 5.548) 10.179 5.464 ( 4.760 3.616 -3.838) 7.103 6.300 ( -3.804 -12.627 3.588) 13.667 6.458 ( -10.553 -12.489 -5.016) 17.103 19.163 ( 0.591 0.077 0.017) 0.596 19.841 ( -0.044 0.394 0.102) 0.409 37.498 ( -1.254 0.300 -0.648) 1.443 59.868 ( -6.158 4.884 -0.619) 7.884 ======================= Grid point 216 (91/413) ======================= q-point: (-0.38 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.046 11.376 2.853) 11.905 2.663 ( -22.544 12.524 9.598) 27.517 3.215 ( 1.910 -9.053 1.168) 9.326 4.143 ( 3.056 -1.942 -11.552) 12.106 4.200 ( 2.499 8.154 -9.877) 13.049 4.603 ( 2.281 10.543 -3.317) 11.285 5.020 ( 3.051 -0.385 14.291) 14.618 5.144 ( 3.149 4.055 2.849) 5.872 5.507 ( 9.294 1.251 -3.606) 10.047 6.330 ( -6.687 -2.354 -2.161) 7.411 6.553 ( -10.361 -23.120 2.377) 25.446 19.169 ( 0.478 0.092 -0.012) 0.487 19.834 ( -0.147 0.507 0.104) 0.538 37.481 ( -0.659 -0.088 -0.486) 0.824 59.772 ( -2.166 1.074 0.931) 2.590 ======================= Grid point 217 (92/413) ======================= q-point: (-0.31 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 7.961 13.255 19.357) 24.774 2.249 ( -17.298 14.718 8.170) 24.137 3.332 ( 1.507 -3.885 1.983) 4.615 4.044 ( 1.519 12.062 -5.860) 13.495 4.098 ( -0.772 4.938 -14.620) 15.451 4.365 ( -1.097 16.263 -9.676) 18.956 5.107 ( -2.459 0.893 13.061) 13.320 5.171 ( 3.727 -0.751 2.269) 4.428 5.631 ( 12.713 1.892 -2.853) 13.166 6.246 ( -4.189 0.717 -3.368) 5.423 6.781 ( -8.411 -26.128 5.076) 27.914 19.173 ( 0.270 0.127 -0.134) 0.327 19.825 ( -0.173 0.606 0.112) 0.640 37.477 ( -0.250 -0.316 -0.417) 0.580 59.794 ( 1.170 -3.542 5.182) 6.385 ======================= Grid point 218 (93/413) ======================= q-point: (-0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 13.912 11.845 33.439) 38.106 1.898 ( -6.995 17.057 6.098) 19.418 3.373 ( 0.913 2.444 2.107) 3.353 3.793 ( -1.263 26.927 -0.683) 26.966 3.899 ( 3.925 13.742 -4.614) 15.018 4.160 ( -1.070 0.753 -24.982) 25.016 5.081 ( -4.239 -0.085 4.114) 5.908 5.242 ( 0.388 -0.980 6.803) 6.885 5.721 ( 6.010 2.647 -0.357) 6.577 6.191 ( 1.277 2.639 -1.580) 3.330 7.060 ( -3.917 -23.760 1.897) 24.155 19.171 ( -0.057 0.237 -0.361) 0.435 19.815 ( -0.060 0.641 0.128) 0.656 37.474 ( -0.412 -0.028 -0.673) 0.789 59.958 ( 4.375 -9.957 12.583) 16.632 ======================= Grid point 219 (94/413) ======================= q-point: (-0.15 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 5.173 18.060 5.041) 19.451 1.996 ( 17.879 8.992 37.274) 42.306 3.220 ( -0.486 24.642 -2.819) 24.808 3.455 ( 2.377 19.862 7.580) 21.392 3.798 ( 9.387 11.682 -2.093) 15.132 4.062 ( 0.066 -3.729 -25.265) 25.539 5.058 ( -2.575 -2.165 0.751) 3.447 5.257 ( -4.292 -1.069 4.867) 6.577 5.730 ( -0.614 1.454 3.444) 3.789 6.183 ( 4.647 4.955 1.132) 6.886 7.292 ( -1.426 -15.590 -6.537) 16.965 19.161 ( -0.402 0.524 -0.590) 0.886 19.808 ( 0.198 0.550 0.125) 0.598 37.460 ( -0.632 0.412 -0.593) 0.960 60.302 ( 5.821 -19.642 20.523) 28.998 ======================= Grid point 220 (95/413) ======================= q-point: (-0.08 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 18.254 16.530 3.278) 24.844 2.243 ( 12.810 12.510 28.117) 33.334 2.845 ( 8.336 29.321 3.775) 30.716 3.316 ( 4.373 14.106 7.825) 16.713 3.807 ( 14.204 11.216 1.117) 18.133 4.019 ( -0.963 -5.582 -21.753) 22.478 5.093 ( 0.765 -4.857 -0.250) 4.923 5.210 ( -7.768 -2.490 2.602) 8.562 5.716 ( -2.615 0.175 5.547) 6.135 6.178 ( 4.764 6.884 3.557) 9.096 7.351 ( -1.726 -3.526 -16.578) 17.037 19.142 ( -0.431 0.864 -0.578) 1.126 19.807 ( 0.453 0.349 0.060) 0.574 37.448 ( -0.341 0.153 0.504) 0.628 60.791 ( 0.423 -29.369 22.744) 37.148 ======================= Grid point 225 (96/413) ======================= q-point: ( 0.31 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 11.973 0.000 2.518) 12.235 2.529 ( -13.185 -0.000 -27.686) 30.665 3.652 ( 21.469 0.000 2.362) 21.599 3.736 ( -7.768 -0.000 7.784) 10.997 3.762 ( 14.011 0.000 -1.857) 14.133 4.561 ( 1.943 0.000 13.405) 13.545 4.792 ( -11.382 -0.000 -4.260) 12.153 5.630 ( 3.155 0.000 0.732) 3.239 5.770 ( -4.431 -0.000 -13.806) 14.500 5.904 ( -2.633 -0.000 1.037) 2.830 5.968 ( 1.264 0.000 -0.554) 1.380 19.148 ( 0.763 0.000 -0.069) 0.766 19.847 ( 0.320 0.000 0.120) 0.342 37.547 ( -0.753 -0.000 0.555) 0.936 60.480 ( -18.465 -0.000 0.320) 18.468 ======================= Grid point 226 (97/413) ======================= q-point: ( 0.38 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -3.818 2.779 -17.112) 17.752 2.355 ( 5.379 -9.443 -2.015) 11.052 3.586 ( -14.894 4.210 10.076) 18.468 3.875 ( 13.448 1.345 -0.121) 13.515 4.014 ( 12.714 -7.713 -0.770) 14.891 4.511 ( -2.615 0.421 -10.588) 10.914 4.811 ( 1.960 -1.815 16.034) 16.255 5.510 ( -4.006 9.503 -4.895) 11.415 5.681 ( -0.132 2.688 -4.140) 4.938 5.920 ( 1.815 -3.881 1.793) 4.645 6.082 ( -2.914 -11.566 -1.391) 12.008 19.157 ( 0.671 0.032 -0.056) 0.674 19.850 ( 0.175 0.114 0.082) 0.224 37.531 ( -1.537 0.088 -0.481) 1.613 60.234 ( -14.257 3.583 -0.429) 14.706 ======================= Grid point 227 (98/413) ======================= q-point: ( 0.46 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -0.375 5.769 -10.376) 11.878 2.617 ( 5.815 -14.140 1.948) 15.413 3.309 ( -22.840 6.174 12.031) 26.543 3.999 ( 7.637 -0.924 -5.790) 9.628 4.274 ( 11.757 -7.787 -2.324) 14.292 4.487 ( 6.183 0.758 -9.839) 11.645 4.919 ( 0.732 -1.110 13.523) 13.589 5.351 ( -3.290 4.459 -0.103) 5.542 5.621 ( 2.434 6.147 -2.568) 7.093 6.010 ( -1.227 -6.907 2.383) 7.409 6.166 ( -5.485 -10.168 -2.430) 11.805 19.165 ( 0.565 0.043 -0.026) 0.567 19.850 ( 0.056 0.239 0.057) 0.252 37.503 ( -1.699 0.088 -0.993) 1.970 60.013 ( -9.517 4.862 -0.684) 10.709 ======================= Grid point 228 (99/413) ======================= q-point: (-0.46 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 4.631 8.390 2.899) 10.012 2.881 ( 2.970 -13.634 1.849) 14.075 2.950 ( -22.712 7.660 10.993) 26.370 4.055 ( 3.952 -2.340 -12.957) 13.746 4.410 ( 5.702 5.084 -6.928) 10.313 4.610 ( 10.205 -7.467 -2.736) 12.938 5.006 ( 3.109 -0.783 10.684) 11.155 5.273 ( -3.893 2.657 3.157) 5.673 5.575 ( 5.225 5.094 -2.387) 7.677 6.090 ( -6.353 -9.954 3.643) 12.358 6.193 ( -5.609 -7.121 -2.610) 9.433 19.171 ( 0.432 0.034 -0.006) 0.433 19.846 ( -0.023 0.367 0.055) 0.372 37.479 ( -1.127 -0.065 -0.904) 1.446 59.853 ( -5.016 4.073 -0.185) 6.464 ======================= Grid point 229 (100/413) ======================= q-point: (-0.38 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 8.137 10.522 16.654) 21.314 2.590 ( -17.214 10.457 8.299) 21.784 3.107 ( 1.652 -12.122 2.961) 12.588 4.049 ( 0.761 -2.740 -19.490) 19.696 4.330 ( 3.019 8.874 -6.341) 11.316 4.747 ( 4.741 4.217 -3.167) 7.092 5.111 ( 1.342 -0.713 12.555) 12.646 5.191 ( -3.100 2.159 0.481) 3.809 5.647 ( 12.159 -0.480 -2.649) 12.453 6.115 ( -12.375 -11.459 -1.366) 16.921 6.242 ( -1.795 -8.704 5.141) 10.267 19.175 ( 0.232 0.042 -0.032) 0.238 19.840 ( -0.064 0.495 0.065) 0.504 37.469 ( -0.271 -0.257 -0.537) 0.654 59.774 ( -1.305 1.604 1.607) 2.619 ======================= Grid point 230 (101/413) ======================= q-point: (-0.31 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 11.300 11.017 28.622) 32.684 2.299 ( -7.276 12.533 5.427) 15.475 3.282 ( 1.128 -8.521 4.425) 9.668 3.974 ( -2.123 -2.664 -24.409) 24.646 4.216 ( 3.718 10.943 -4.187) 12.293 4.597 ( 0.123 17.852 -3.885) 18.271 5.077 ( -7.946 -0.160 4.205) 8.991 5.222 ( 1.773 -0.510 5.440) 5.745 5.790 ( 7.440 2.012 -1.225) 7.804 6.123 ( -3.757 -9.752 -4.934) 11.557 6.443 ( 0.743 -17.586 9.096) 19.813 19.175 ( -0.035 0.094 -0.107) 0.147 19.832 ( -0.045 0.593 0.080) 0.600 37.471 ( 0.207 -0.167 -0.338) 0.430 59.794 ( 1.377 -2.486 5.119) 5.855 ======================= Grid point 231 (102/413) ======================= q-point: (-0.23 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 2.898 14.123 6.675) 15.888 2.252 ( 15.136 9.747 30.973) 35.825 3.398 ( 0.584 -2.925 5.341) 6.117 3.867 ( -2.309 -2.888 -23.630) 23.918 4.095 ( 3.981 13.151 -2.461) 13.959 4.301 ( 2.109 22.308 -4.403) 22.836 5.004 ( -6.149 -1.872 0.265) 6.433 5.238 ( -4.127 -0.412 5.111) 6.582 5.780 ( -2.758 2.077 2.876) 4.494 6.216 ( 5.176 -3.807 -4.038) 7.588 6.780 ( 4.872 -19.905 3.822) 20.846 19.170 ( -0.310 0.216 -0.205) 0.430 19.824 ( 0.057 0.606 0.093) 0.616 37.471 ( 0.135 0.325 -0.332) 0.484 59.929 ( 2.647 -8.522 9.865) 13.302 ======================= Grid point 232 (103/413) ======================= q-point: (-0.15 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 13.404 14.711 2.708) 20.085 2.481 ( 14.448 7.933 31.411) 35.473 3.394 ( -0.538 6.862 1.466) 7.037 3.799 ( 2.317 3.724 -8.635) 9.685 3.875 ( -1.642 13.313 -10.770) 17.203 4.144 ( 11.496 12.639 -0.114) 17.086 4.977 ( -2.463 -3.573 -2.148) 4.842 5.173 ( -9.306 -0.613 3.810) 10.074 5.728 ( -4.376 0.686 5.413) 6.994 6.302 ( 6.554 1.139 -1.785) 6.888 7.085 ( 4.290 -14.571 -4.107) 15.735 19.159 ( -0.463 0.425 -0.270) 0.684 19.819 ( 0.218 0.505 0.089) 0.558 37.463 ( 0.010 0.766 -0.004) 0.766 60.178 ( 1.233 -16.109 13.785) 21.238 ======================= Grid point 233 (104/413) ======================= q-point: (-0.08 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 21.119 13.454 1.616) 25.093 2.665 ( 10.281 9.699 23.547) 27.463 3.227 ( 3.210 16.729 -3.410) 17.372 3.620 ( 2.871 15.179 3.596) 15.861 3.817 ( -1.234 -5.533 -15.344) 16.357 4.187 ( 15.236 11.123 5.705) 19.708 5.024 ( 1.787 -5.945 -2.726) 6.780 5.061 ( -11.035 -2.128 2.517) 11.517 5.694 ( -4.402 -0.275 5.337) 6.923 6.335 ( 5.099 4.846 -0.304) 7.041 7.224 ( 1.133 -5.319 -11.444) 12.670 19.145 ( -0.360 0.612 -0.251) 0.753 19.817 ( 0.362 0.332 0.063) 0.495 37.456 ( 0.266 0.583 0.972) 1.164 60.492 ( -4.196 -22.471 14.335) 26.983 ======================= Grid point 239 (105/413) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 0.250 0.000 -9.890) 9.893 2.382 ( 7.013 0.000 2.450) 7.429 3.397 ( -23.573 -0.000 12.130) 26.511 4.046 ( 8.339 0.000 -8.020) 11.570 4.069 ( 9.617 0.000 -1.055) 9.675 4.508 ( 7.477 0.000 -9.945) 12.442 4.902 ( 1.365 0.000 17.419) 17.472 5.442 ( -8.489 -0.000 -7.019) 11.015 5.712 ( 2.498 0.000 0.301) 2.516 5.926 ( -0.124 -0.000 1.597) 1.602 5.987 ( 0.502 0.000 -0.275) 0.572 19.165 ( 0.547 0.000 -0.056) 0.549 19.853 ( 0.082 0.000 0.037) 0.090 37.504 ( -1.803 -0.000 -1.072) 2.098 60.086 ( -10.887 -0.000 -0.848) 10.920 ======================= Grid point 240 (106/413) ======================= q-point: ( 0.46 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 5.608 4.382 2.607) 7.580 2.536 ( 4.351 -8.961 2.619) 10.300 3.105 ( -23.918 3.030 11.522) 26.721 4.054 ( 5.598 2.741 -11.420) 13.010 4.266 ( 8.323 -10.335 -3.104) 13.628 4.555 ( 5.853 1.535 -8.954) 10.807 4.996 ( 2.069 0.019 14.814) 14.958 5.312 ( -6.128 0.926 -2.033) 6.523 5.716 ( 2.193 3.604 -0.433) 4.242 5.942 ( -1.517 -2.386 1.870) 3.390 6.021 ( -0.813 -4.194 -0.390) 4.290 19.171 ( 0.396 0.007 -0.041) 0.399 19.853 ( 0.022 0.132 0.017) 0.134 37.478 ( -1.305 -0.023 -1.054) 1.677 59.946 ( -6.909 2.138 -0.984) 7.299 ======================= Grid point 241 (107/413) ======================= q-point: (-0.46 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 8.183 6.543 14.458) 17.855 2.742 ( 1.651 -12.987 3.030) 13.437 2.809 ( -17.781 5.575 8.995) 20.692 4.020 ( 2.256 1.223 -16.069) 16.273 4.489 ( 5.232 -1.876 -4.379) 7.076 4.574 ( 4.930 -8.222 -6.702) 11.697 5.090 ( 1.210 -0.274 12.891) 12.950 5.226 ( -4.469 0.426 -1.004) 4.600 5.694 ( 3.498 3.717 -0.507) 5.130 5.943 ( -4.638 -2.090 1.966) 5.454 6.072 ( -0.582 -5.052 0.565) 5.116 19.175 ( 0.218 0.001 -0.028) 0.219 19.850 ( -0.010 0.269 0.020) 0.270 37.464 ( -0.308 -0.112 -0.624) 0.705 59.843 ( -2.985 2.689 -0.582) 4.059 ======================= Grid point 242 (108/413) ======================= q-point: (-0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 10.154 7.911 25.214) 28.309 2.574 ( -8.224 7.804 5.733) 12.704 2.955 ( 0.151 -14.242 3.718) 14.720 3.929 ( -1.930 0.092 -21.734) 21.820 4.458 ( 4.074 6.700 -4.407) 8.995 4.760 ( 2.047 -7.851 -5.381) 9.735 5.068 ( -10.200 -0.529 4.938) 11.345 5.228 ( 3.621 1.191 3.933) 5.478 5.751 ( 6.882 -3.878 -0.491) 7.915 5.896 ( -6.054 -0.420 2.395) 6.523 6.162 ( 1.669 -6.911 2.849) 7.659 19.177 ( -0.012 0.023 -0.040) 0.047 19.846 ( -0.025 0.403 0.033) 0.405 37.466 ( 0.581 -0.133 -0.204) 0.630 59.794 ( 0.232 1.709 0.704) 1.863 ======================= Grid point 243 (109/413) ======================= q-point: (-0.31 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 1.645 10.117 9.084) 13.696 2.500 ( 13.016 8.159 25.281) 29.583 3.164 ( -0.376 -13.399 6.041) 14.702 3.782 ( -4.843 -1.744 -25.321) 25.839 4.396 ( 4.705 9.182 -2.083) 10.525 4.738 ( -2.375 5.821 -6.162) 8.803 4.960 ( -8.505 -1.165 1.360) 8.691 5.245 ( -1.810 1.540 4.204) 4.829 5.824 ( -6.887 0.055 4.077) 8.004 5.966 ( 9.425 -10.444 -3.395) 14.471 6.355 ( 6.564 -11.219 5.282) 14.031 19.174 ( -0.261 0.083 -0.066) 0.282 19.839 ( -0.013 0.499 0.046) 0.502 37.477 ( 0.857 0.100 -0.101) 0.868 59.812 ( 2.172 -0.838 2.955) 3.762 ======================= Grid point 244 (110/413) ======================= q-point: (-0.23 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 10.469 11.338 2.843) 15.692 2.699 ( 13.159 7.915 28.183) 32.095 3.348 ( -0.729 -9.119 8.290) 12.346 3.651 ( -4.018 -5.135 -23.146) 24.047 4.307 ( 2.893 11.409 -0.325) 11.775 4.548 ( -0.502 12.564 -5.717) 13.813 4.900 ( -3.661 -1.957 -0.830) 4.234 5.178 ( -7.651 1.452 4.312) 8.902 5.750 ( -6.142 0.805 4.897) 7.897 6.199 ( 8.391 -8.402 -4.790) 12.804 6.666 ( 8.853 -14.678 3.617) 17.519 19.167 ( -0.448 0.173 -0.082) 0.487 19.833 ( 0.042 0.513 0.061) 0.518 37.482 ( 0.573 0.543 -0.174) 0.808 59.901 ( 2.276 -4.988 5.597) 7.835 ======================= Grid point 245 (111/413) ======================= q-point: (-0.15 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 16.969 11.491 0.936) 20.515 2.865 ( 9.544 6.454 20.355) 23.389 3.426 ( -2.176 -1.854 1.812) 3.384 3.625 ( -1.346 -6.211 -12.558) 14.074 4.127 ( -0.763 16.306 -0.515) 16.332 4.435 ( 7.527 7.669 0.927) 10.786 4.907 ( 1.285 -2.637 -3.197) 4.339 5.054 ( -10.731 1.472 5.182) 12.007 5.687 ( -5.828 -0.022 5.118) 7.756 6.363 ( 7.370 -3.315 -4.840) 9.420 6.967 ( 6.668 -12.270 -0.970) 13.998 19.157 ( -0.486 0.286 -0.079) 0.569 19.828 ( 0.132 0.428 0.073) 0.454 37.477 ( 0.278 0.784 0.050) 0.833 60.051 ( -0.003 -10.147 7.421) 12.571 ======================= Grid point 246 (112/413) ======================= q-point: (-0.08 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 20.348 10.355 0.039) 22.831 2.965 ( 5.984 4.447 11.973) 14.104 3.395 ( 0.973 5.261 -0.678) 5.393 3.562 ( -5.633 0.579 -16.792) 17.721 3.937 ( 1.645 11.532 5.855) 13.037 4.516 ( 11.344 3.884 8.022) 14.426 4.906 ( -10.322 0.509 3.164) 10.808 4.982 ( 4.007 -3.947 -2.670) 6.226 5.636 ( -6.495 -0.873 4.348) 7.864 6.436 ( 5.339 1.968 -4.870) 7.490 7.140 ( 2.842 -5.431 -5.399) 8.168 19.146 ( -0.337 0.373 -0.076) 0.508 19.826 ( 0.222 0.280 0.084) 0.367 37.474 ( 0.386 0.465 0.795) 0.998 60.226 ( -4.600 -14.681 7.402) 17.073 ======================= Grid point 253 (113/413) ======================= q-point: ( 0.46 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 7.926 0.000 13.407) 15.574 2.527 ( 2.054 0.000 2.929) 3.577 2.886 ( -18.310 -0.000 9.571) 20.661 4.106 ( 5.056 0.000 -16.541) 17.296 4.236 ( 3.456 0.000 -1.219) 3.665 4.583 ( 2.982 0.000 -8.022) 8.558 5.090 ( 0.852 0.000 13.555) 13.581 5.232 ( -4.037 -0.000 -1.811) 4.424 5.757 ( 0.758 0.000 -0.524) 0.921 5.920 ( -0.924 -0.000 1.517) 1.776 5.997 ( 0.323 0.000 0.527) 0.618 19.175 ( 0.214 0.000 -0.038) 0.218 19.854 ( 0.005 0.000 0.001) 0.005 37.463 ( -0.320 -0.000 -0.644) 0.719 59.884 ( -3.593 -0.000 -1.329) 3.831 ======================= Grid point 254 (114/413) ======================= q-point: (-0.46 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 8.938 3.482 21.392) 23.444 2.616 ( -0.469 -8.131 3.695) 8.944 2.722 ( -8.524 2.515 6.839) 11.214 4.006 ( -0.107 5.662 -18.259) 19.117 4.374 ( 1.226 -14.000 -3.616) 14.512 4.581 ( 3.778 1.956 -5.252) 6.759 5.064 ( -9.824 0.074 5.283) 11.155 5.257 ( 6.070 0.638 4.297) 7.464 5.748 ( 0.218 1.176 -0.550) 1.317 5.912 ( -0.976 0.565 1.330) 1.743 6.025 ( 0.449 -2.856 1.058) 3.078 19.177 ( 0.020 0.001 -0.028) 0.035 19.853 ( -0.008 0.140 0.003) 0.140 37.464 ( 0.712 -0.040 -0.168) 0.732 59.844 ( -0.104 1.295 -1.396) 1.906 ======================= Grid point 255 (115/413) ======================= q-point: (-0.38 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 0.808 4.528 4.041) 6.123 2.677 ( 11.886 4.194 28.150) 30.843 2.769 ( -2.163 -12.492 3.934) 13.274 3.811 ( -4.942 4.178 -22.509) 23.421 4.547 ( -2.772 -12.342 -3.073) 13.017 4.586 ( 3.784 1.433 -3.612) 5.424 4.942 ( -9.718 -0.380 1.992) 9.928 5.330 ( 4.257 3.770 4.587) 7.306 5.751 ( 0.413 -1.157 2.001) 2.348 5.900 ( 0.994 0.749 0.101) 1.248 6.111 ( 2.684 -6.888 1.708) 7.587 19.175 ( -0.198 0.035 -0.027) 0.203 19.850 ( -0.030 0.275 0.008) 0.277 37.478 ( 1.219 0.004 -0.018) 1.219 59.836 ( 2.828 1.716 -0.921) 3.434 ======================= Grid point 256 (116/413) ======================= q-point: (-0.31 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 9.208 7.032 1.792) 11.724 2.876 ( 6.709 1.648 19.055) 20.268 2.988 ( 3.164 -12.095 15.831) 20.172 3.586 ( -6.598 0.874 -23.017) 23.960 4.547 ( 0.650 5.732 1.232) 5.899 4.608 ( -7.411 -7.224 -7.301) 12.666 4.869 ( -3.653 -1.432 0.937) 4.034 5.287 ( -1.902 6.687 3.040) 7.588 5.767 ( -3.153 0.522 4.776) 5.747 5.975 ( 7.056 -5.547 -1.409) 9.085 6.315 ( 7.645 -11.635 2.279) 14.108 19.170 ( -0.402 0.092 -0.023) 0.413 19.845 ( -0.050 0.374 0.018) 0.378 37.491 ( 0.982 0.199 -0.285) 1.042 59.864 ( 4.452 1.189 0.067) 4.609 ======================= Grid point 257 (117/413) ======================= q-point: (-0.23 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 14.290 8.513 0.191) 16.634 2.996 ( 3.195 0.367 8.458) 9.049 3.215 ( -2.811 -9.872 4.408) 11.171 3.487 ( 1.800 -2.929 -0.425) 3.464 4.441 ( -4.824 7.052 1.766) 8.725 4.538 ( -4.287 -1.461 -7.120) 8.439 4.877 ( 2.078 -0.358 -0.221) 2.121 5.156 ( -5.797 6.503 3.669) 9.453 5.708 ( -5.177 1.855 3.926) 6.757 6.179 ( 8.206 -8.710 -1.593) 12.072 6.619 ( 10.007 -13.056 1.732) 16.541 19.162 ( -0.515 0.140 0.000) 0.533 19.839 ( -0.041 0.397 0.041) 0.401 37.494 ( 0.320 0.422 -0.641) 0.832 59.920 ( 4.199 -0.418 1.144) 4.372 ======================= Grid point 258 (118/413) ======================= q-point: (-0.15 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 14.431 7.686 -2.996) 16.623 3.016 ( 0.764 0.057 -4.982) 5.041 3.284 ( -4.149 -10.311 -2.697) 11.437 3.612 ( 3.302 1.452 15.530) 15.944 4.252 ( -6.951 8.766 1.052) 11.237 4.524 ( 2.168 -1.791 -0.774) 2.917 4.920 ( 5.033 0.088 -3.511) 6.138 5.007 ( -7.375 5.074 5.922) 10.734 5.629 ( -6.205 0.964 3.520) 7.198 6.380 ( 7.484 -6.099 -2.428) 9.955 6.912 ( 8.463 -10.410 -0.119) 13.416 19.154 ( -0.483 0.171 0.024) 0.513 19.834 ( 0.000 0.333 0.078) 0.342 37.486 ( -0.160 0.352 -0.590) 0.705 59.991 ( 1.884 -2.981 1.697) 3.913 ======================= Grid point 259 (119/413) ======================= q-point: (-0.08 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 4.577 0.537 -11.488) 12.378 3.024 ( 6.063 1.404 -4.658) 7.773 3.359 ( -0.874 -6.456 -1.183) 6.622 3.604 ( -0.027 10.185 6.950) 12.330 4.077 ( -3.550 7.282 5.345) 9.706 4.615 ( 2.366 -3.950 3.989) 6.092 4.875 ( -5.232 4.210 6.596) 9.413 4.992 ( 5.435 -2.039 -4.366) 7.263 5.546 ( -7.755 0.062 2.637) 8.191 6.507 ( 6.394 -0.427 -2.843) 7.011 7.101 ( 4.655 -4.794 -2.463) 7.122 19.146 ( -0.304 0.186 0.017) 0.357 19.831 ( 0.056 0.207 0.117) 0.244 37.480 ( -0.122 -0.182 0.030) 0.221 60.059 ( -2.018 -5.914 1.412) 6.406 ======================= Grid point 267 (120/413) ======================= q-point: (-0.46 -0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -3.099 -0.000 3.434) 4.625 2.707 ( 4.320 0.000 1.169) 4.476 2.756 ( 7.777 0.000 29.679) 30.681 3.949 ( -3.963 -0.000 -23.400) 23.734 4.230 ( -2.878 -0.000 -1.329) 3.170 4.637 ( 4.146 0.000 -1.195) 4.315 4.938 ( -10.783 -0.000 2.041) 10.975 5.394 ( 9.770 0.000 6.149) 11.544 5.741 ( -1.314 -0.000 -1.137) 1.738 5.912 ( -0.666 -0.000 0.663) 0.940 6.014 ( 0.215 0.000 1.106) 1.127 19.176 ( -0.163 -0.000 -0.017) 0.164 19.854 ( -0.029 -0.000 -0.007) 0.030 37.478 ( 1.304 0.000 -0.002) 1.304 59.865 ( 3.233 0.000 -2.158) 3.887 ======================= Grid point 268 (121/413) ======================= q-point: (-0.38 -0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -5.442 -8.687 3.741) 10.912 2.780 ( 9.508 2.208 0.205) 9.763 3.025 ( 12.925 2.340 30.062) 32.806 3.701 ( -7.827 6.385 -23.107) 25.218 4.267 ( -6.340 -12.491 -3.160) 14.360 4.656 ( -0.614 1.695 0.511) 1.874 4.830 ( -5.999 -0.900 2.543) 6.577 5.506 ( 7.316 8.374 4.242) 11.901 5.752 ( 2.243 -3.049 1.839) 4.209 5.904 ( -0.386 -0.628 -0.472) 0.875 6.059 ( 1.565 -5.801 1.045) 6.098 19.172 ( -0.351 0.037 -0.009) 0.353 19.852 ( -0.078 0.136 -0.012) 0.157 37.494 ( 1.135 0.032 -0.339) 1.186 59.909 ( 6.228 1.321 -2.621) 6.885 ======================= Grid point 269 (122/413) ======================= q-point: (-0.31 -0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -6.666 -15.138 3.708) 16.951 2.892 ( 13.239 4.327 -0.050) 13.928 3.220 ( 2.981 4.974 0.108) 5.800 3.486 ( 1.498 2.311 6.105) 6.697 4.314 ( -9.774 -12.040 -4.247) 16.079 4.578 ( -5.849 2.058 -0.068) 6.201 4.840 ( 0.874 -1.953 4.283) 4.788 5.409 ( -0.297 11.741 1.327) 11.820 5.783 ( -1.420 3.165 1.987) 3.998 5.982 ( 5.505 -5.306 1.670) 7.826 6.263 ( 8.698 -13.067 1.618) 15.780 19.165 ( -0.509 0.085 0.005) 0.516 19.848 ( -0.132 0.238 -0.002) 0.272 37.500 ( 0.353 0.114 -1.001) 1.068 59.966 ( 7.974 2.643 -2.849) 8.871 ======================= Grid point 270 (123/413) ======================= q-point: (-0.23 -0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -6.584 -16.236 1.912) 17.624 2.967 ( 1.533 3.541 -8.407) 9.250 3.070 ( 4.062 1.138 -15.687) 16.244 3.669 ( 8.556 2.682 28.035) 29.434 4.291 ( -11.355 -7.112 -1.785) 13.517 4.484 ( -4.133 0.146 -0.260) 4.144 4.911 ( 3.253 -1.334 2.636) 4.394 5.232 ( -2.764 11.571 0.962) 11.935 5.698 ( -4.383 3.775 1.134) 5.894 6.161 ( 5.617 -8.399 1.842) 10.271 6.603 ( 13.117 -12.444 2.224) 18.217 19.157 ( -0.567 0.094 0.038) 0.576 19.843 ( -0.157 0.273 0.040) 0.317 37.492 ( -0.516 0.111 -1.508) 1.598 60.017 ( 7.810 3.626 -3.121) 9.159 ======================= Grid point 271 (124/413) ======================= q-point: (-0.15 -0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -7.988 -2.511 -22.898) 24.381 2.989 ( -8.446 -15.892 3.661) 18.365 3.158 ( 13.720 2.190 -5.723) 15.026 3.799 ( 2.083 5.094 19.013) 19.793 4.192 ( -10.379 -0.198 5.159) 11.592 4.494 ( -0.888 -5.328 1.709) 5.666 4.966 ( 0.916 0.666 0.648) 1.305 5.053 ( -0.433 9.265 -0.977) 9.326 5.590 ( -5.462 3.091 1.566) 6.469 6.360 ( 4.393 -9.448 1.231) 10.492 6.928 ( 12.879 -7.713 1.533) 15.090 19.149 ( -0.485 0.060 0.066) 0.493 19.838 ( -0.144 0.232 0.105) 0.293 37.475 ( -0.908 -0.197 -1.394) 1.675 60.042 ( 5.588 3.760 -3.636) 7.654 ======================= Grid point 272 (125/413) ======================= q-point: (-0.08 -0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -10.576 -6.136 -25.325) 28.122 3.075 ( -6.816 -9.518 3.538) 12.230 3.297 ( 9.865 -2.067 -5.255) 11.367 3.771 ( -0.946 7.154 7.683) 10.541 4.113 ( -3.675 2.349 9.858) 10.779 4.581 ( -2.277 -7.339 5.137) 9.243 4.842 ( -7.794 5.096 1.168) 9.385 5.054 ( 6.965 1.076 -4.280) 8.245 5.479 ( -6.317 3.083 0.877) 7.083 6.526 ( 2.606 -7.078 0.862) 7.591 7.145 ( 9.806 -0.742 0.049) 9.835 19.144 ( -0.265 0.015 0.059) 0.272 19.834 ( -0.116 0.134 0.166) 0.243 37.466 ( -0.678 -0.835 -0.635) 1.249 60.031 ( 1.864 2.647 -4.196) 5.300 ======================= Grid point 281 (126/413) ======================= q-point: (-0.38 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -8.542 -0.000 3.723) 9.318 2.954 ( 14.051 0.000 -1.426) 14.124 3.314 ( 7.257 0.000 7.798) 10.652 3.555 ( -4.773 -0.000 -3.910) 6.171 4.072 ( -8.037 -0.000 -0.702) 8.067 4.601 ( -7.340 -0.000 -0.944) 7.400 4.809 ( -0.045 -0.000 6.253) 6.253 5.677 ( -2.546 -0.000 -1.125) 2.783 5.825 ( 14.509 0.000 5.026) 15.355 5.884 ( 1.868 0.000 1.512) 2.404 6.019 ( -0.599 -0.000 0.994) 1.161 19.167 ( -0.504 -0.000 -0.002) 0.504 19.852 ( -0.157 -0.000 -0.021) 0.159 37.502 ( 0.361 0.000 -1.093) 1.151 60.010 ( 9.531 0.000 -4.178) 10.406 ======================= Grid point 282 (127/413) ======================= q-point: (-0.31 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -10.782 -10.398 3.905) 15.479 3.112 ( -11.457 4.573 -28.710) 31.248 3.125 ( 14.587 2.066 -3.135) 15.063 3.729 ( 9.658 1.337 31.062) 32.557 4.017 ( -10.155 -9.097 -1.195) 13.686 4.488 ( -8.989 -0.032 0.118) 8.990 4.869 ( 3.652 -1.086 6.029) 7.132 5.560 ( -1.912 9.965 -0.385) 10.154 5.801 ( -3.145 2.900 -2.484) 4.947 6.006 ( 2.405 -1.572 3.013) 4.163 6.255 ( 16.559 -11.971 6.788) 21.531 19.159 ( -0.626 0.038 0.008) 0.627 19.848 ( -0.233 0.105 0.003) 0.256 37.493 ( -0.635 0.012 -1.861) 1.966 60.115 ( 11.632 2.442 -5.721) 13.191 ======================= Grid point 283 (128/413) ======================= q-point: (-0.23 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -11.778 -18.651 3.877) 22.396 2.769 ( -12.608 2.083 -28.646) 31.367 3.248 ( 11.509 3.022 -4.391) 12.684 3.884 ( -3.511 0.098 15.286) 15.685 4.059 ( -2.189 -7.211 11.448) 13.706 4.376 ( -10.343 -2.623 1.546) 10.782 4.973 ( 6.630 -0.049 2.904) 7.238 5.376 ( -2.016 12.653 -0.214) 12.814 5.691 ( -4.556 3.862 -1.225) 6.097 6.103 ( 1.081 -7.754 1.316) 7.938 6.680 ( 18.550 -10.171 7.487) 22.441 19.150 ( -0.650 0.012 0.033) 0.651 19.843 ( -0.270 0.153 0.075) 0.320 37.471 ( -1.274 -0.094 -2.132) 2.485 60.189 ( 11.675 5.571 -7.444) 14.925 ======================= Grid point 284 (129/413) ======================= q-point: (-0.15 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -12.648 -2.324 -27.399) 30.267 2.590 ( -12.368 -22.208 2.756) 25.569 3.315 ( 6.794 1.491 -5.272) 8.728 3.835 ( -11.643 -2.657 6.864) 13.774 4.160 ( 0.992 1.951 13.145) 13.326 4.333 ( -9.229 -9.203 4.790) 13.886 5.030 ( 3.248 4.622 -0.788) 5.704 5.190 ( 0.573 10.452 -1.608) 10.590 5.576 ( -4.683 3.804 0.564) 6.059 6.245 ( -0.246 -11.298 0.247) 11.303 7.064 ( 17.458 -5.605 6.858) 19.576 19.142 ( -0.526 -0.085 0.058) 0.536 19.838 ( -0.270 0.142 0.171) 0.350 37.448 ( -1.211 -0.442 -1.606) 2.059 60.199 ( 9.327 8.329 -9.186) 15.516 ======================= Grid point 285 (130/413) ======================= q-point: (-0.08 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -14.136 -5.611 -27.975) 31.842 2.731 ( -12.765 -20.203 3.080) 24.096 3.355 ( 2.841 -1.622 -5.424) 6.335 3.749 ( -11.626 -4.406 7.908) 14.734 4.171 ( -1.408 0.155 3.433) 3.714 4.385 ( -6.014 -7.498 8.072) 12.551 4.905 ( -1.456 10.693 -0.912) 10.830 5.137 ( 3.888 2.905 -3.859) 6.201 5.461 ( -4.768 4.313 -0.216) 6.433 6.388 ( -2.512 -12.104 -0.469) 12.370 7.334 ( 14.166 1.805 5.520) 15.310 19.139 ( -0.240 -0.197 0.063) 0.317 19.834 ( -0.272 0.086 0.239) 0.372 37.440 ( -0.581 -0.989 -0.489) 1.247 60.130 ( 5.099 9.302 -10.112) 14.655 ======================= Grid point 295 (131/413) ======================= q-point: (-0.31 -0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -13.897 -0.000 4.219) 14.523 2.823 ( -14.850 -0.000 -31.386) 34.721 3.299 ( 10.692 0.000 -3.926) 11.390 3.802 ( -11.800 -0.000 -0.015) 11.800 3.991 ( 7.387 0.000 28.069) 29.025 4.344 ( -13.074 -0.000 1.684) 13.182 4.971 ( 8.566 0.000 4.057) 9.478 5.591 ( -3.163 -0.000 -0.903) 3.289 5.753 ( -4.387 -0.000 -3.267) 5.470 5.998 ( -1.536 -0.000 0.677) 1.679 6.494 ( 22.317 0.000 12.084) 25.378 19.150 ( -0.729 -0.000 0.002) 0.729 19.845 ( -0.312 -0.000 0.058) 0.318 37.469 ( -1.341 -0.000 -2.317) 2.677 60.275 ( 14.112 0.000 -8.828) 16.646 ======================= Grid point 296 (132/413) ======================= q-point: (-0.23 -0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -15.560 -12.556 4.456) 20.485 2.465 ( -16.015 0.893 -30.512) 34.471 3.360 ( 3.014 1.724 -4.471) 5.661 3.682 ( -13.558 -6.075 0.991) 14.890 4.152 ( -13.862 -3.378 10.466) 17.695 4.210 ( 4.325 1.175 13.581) 14.302 5.095 ( 8.339 0.983 -0.813) 8.437 5.486 ( -3.018 8.016 -0.539) 8.582 5.665 ( -4.717 2.135 -1.478) 5.385 6.011 ( -1.558 -4.885 0.394) 5.142 6.886 ( 21.179 -5.456 12.178) 25.032 19.140 ( -0.744 -0.054 0.010) 0.746 19.841 ( -0.339 0.061 0.170) 0.384 37.441 ( -1.347 -0.093 -2.002) 2.415 60.391 ( 14.345 4.415 -12.358) 19.442 ======================= Grid point 297 (133/413) ======================= q-point: (-0.15 -0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -16.417 -13.541 -11.366) 24.126 2.122 ( -15.504 -10.430 -14.257) 23.503 3.316 ( -4.041 -0.761 -4.675) 6.226 3.579 ( -18.433 -6.875 5.678) 20.477 4.020 ( -14.900 -7.502 -1.398) 16.740 4.363 ( 7.472 2.056 15.550) 17.374 5.127 ( 3.188 4.168 -5.339) 7.486 5.319 ( -1.548 10.079 -1.032) 10.250 5.563 ( -4.996 3.070 0.068) 5.864 6.082 ( -2.310 -8.963 -0.602) 9.276 7.282 ( 18.936 -4.664 11.535) 22.658 19.133 ( -0.592 -0.231 0.031) 0.636 19.836 ( -0.337 0.093 0.293) 0.456 37.423 ( -0.677 -0.324 -0.902) 1.174 60.410 ( 11.616 9.499 -15.770) 21.768 ======================= Grid point 298 (134/413) ======================= q-point: (-0.08 -0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -17.360 -5.340 -28.873) 34.111 2.255 ( -14.941 -24.375 3.317) 28.782 3.265 ( -6.462 -6.084 -4.338) 9.879 3.440 ( -23.176 -10.105 10.335) 27.314 3.949 ( -11.193 -9.442 -6.511) 16.025 4.480 ( 7.259 3.734 9.621) 12.617 5.024 ( -0.346 8.975 -3.546) 9.656 5.205 ( 1.113 4.927 -3.493) 6.141 5.440 ( -6.414 3.275 -1.753) 7.412 6.174 ( -3.997 -11.077 -1.556) 11.879 7.590 ( 15.184 1.284 10.348) 18.420 19.132 ( -0.212 -0.452 0.052) 0.502 19.832 ( -0.383 0.105 0.342) 0.524 37.426 ( 0.252 -0.655 0.520) 0.874 60.301 ( 6.190 12.739 -17.094) 22.199 ======================= Grid point 309 (135/413) ======================= q-point: (-0.23 -0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -18.521 -0.000 5.406) 19.294 2.100 ( -18.457 -0.000 -30.431) 35.591 3.320 ( -9.455 -0.000 -2.110) 9.688 3.451 ( -14.249 -0.000 -0.285) 14.251 3.909 ( -18.440 -0.000 2.437) 18.601 4.395 ( 8.346 0.000 15.380) 17.498 5.178 ( 5.035 0.000 -6.976) 8.603 5.496 ( -3.355 -0.000 -0.657) 3.418 5.608 ( -5.449 -0.000 -0.372) 5.461 5.954 ( -2.042 -0.000 0.444) 2.090 7.190 ( 20.456 0.000 14.276) 24.945 19.129 ( -0.778 -0.000 -0.003) 0.778 19.838 ( -0.337 -0.000 0.322) 0.466 37.419 ( -0.652 -0.000 -1.049) 1.235 60.553 ( 14.694 0.000 -18.205) 23.395 ======================= Grid point 310 (136/413) ======================= q-point: (-0.15 -0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -18.984 -15.359 4.914) 24.908 1.717 ( -19.906 -1.910 -29.160) 35.359 3.111 ( -23.378 -3.452 1.584) 23.684 3.277 ( -16.027 -3.075 0.749) 16.337 3.726 ( -13.400 -5.205 -3.526) 14.801 4.556 ( 8.156 1.555 10.947) 13.739 5.167 ( 1.788 2.083 -9.900) 10.273 5.401 ( -2.826 6.540 -0.591) 7.149 5.506 ( -8.109 1.375 -2.104) 8.489 5.957 ( -2.335 -4.279 -0.077) 4.875 7.542 ( 18.508 -2.809 15.529) 24.322 19.121 ( -0.647 -0.270 0.005) 0.702 19.835 ( -0.313 0.082 0.457) 0.560 37.417 ( 0.390 -0.107 0.406) 0.573 60.592 ( 11.542 6.739 -24.092) 27.551 ======================= Grid point 311 (137/413) ======================= q-point: (-0.08 -0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -20.762 -5.088 -28.389) 35.537 1.719 ( -16.999 -25.499 4.471) 30.971 2.846 ( -33.898 -13.065 7.717) 37.139 3.143 ( -11.488 -5.277 -1.053) 12.686 3.645 ( -10.347 -9.021 -7.499) 15.642 4.659 ( 6.848 3.399 3.635) 8.465 5.090 ( -0.293 4.951 -7.966) 9.384 5.265 ( -2.608 6.164 -3.090) 7.372 5.357 ( -7.771 1.215 -1.689) 8.045 5.995 ( -3.184 -6.810 -1.063) 7.592 7.863 ( 15.278 0.736 15.187) 21.555 19.122 ( -0.158 -0.716 0.031) 0.734 19.830 ( -0.422 0.225 0.441) 0.650 37.435 ( 1.199 -0.238 1.719) 2.110 60.453 ( 4.354 12.323 -25.657) 28.794 ======================= Grid point 323 (138/413) ======================= q-point: (-0.15 -0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -21.877 -0.000 7.268) 23.053 1.285 ( -22.717 -0.000 -28.978) 36.821 2.675 ( -38.393 -0.000 6.179) 38.887 3.056 ( -14.247 -0.000 -1.509) 14.327 3.509 ( -10.276 -0.000 -6.852) 12.351 4.707 ( 6.890 0.000 4.974) 8.498 5.149 ( 0.614 0.000 -11.568) 11.584 5.363 ( -11.556 -0.000 -4.560) 12.424 5.406 ( -2.895 -0.000 -0.296) 2.910 5.903 ( -1.914 -0.000 0.275) 1.934 7.843 ( 17.621 0.000 19.776) 26.488 19.110 ( -0.639 -0.000 -0.015) 0.639 19.834 ( -0.223 -0.000 0.560) 0.603 37.433 ( 1.299 0.000 1.688) 2.130 60.647 ( 7.819 0.000 -33.207) 34.115 ======================= Grid point 324 (139/413) ======================= q-point: (-0.08 -0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -23.900 -3.967 -24.705) 34.602 1.175 ( -19.988 -21.098 6.960) 29.885 2.203 ( -44.594 -9.075 10.331) 46.666 2.907 ( -11.471 -5.422 -2.147) 12.868 3.388 ( -7.982 -4.864 -7.723) 12.125 4.753 ( 2.447 1.907 -12.158) 12.547 5.056 ( -7.248 1.845 -4.721) 8.844 5.223 ( -3.303 1.113 -1.188) 3.682 5.347 ( -1.226 2.749 0.579) 3.065 5.897 ( -1.914 -2.558 -0.141) 3.198 8.164 ( 16.040 1.640 19.948) 25.649 19.109 ( -0.177 -0.889 -0.031) 0.907 19.831 ( -0.358 0.390 0.354) 0.636 37.462 ( 1.494 -0.035 2.202) 2.661 60.483 ( -1.046 7.450 -33.203) 34.044 ======================= Grid point 337 (140/413) ======================= q-point: (-0.08 -0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -19.470 -0.000 -0.872) 19.489 0.750 ( -23.264 -0.000 10.100) 25.362 1.554 ( -49.645 -0.000 15.252) 51.935 2.709 ( -9.363 -0.000 -2.812) 9.776 3.248 ( -3.615 -0.000 -4.802) 6.010 4.626 ( -5.798 -0.000 -26.647) 27.270 5.000 ( -4.549 -0.000 9.217) 10.278 5.237 ( 2.866 0.000 1.468) 3.220 5.344 ( -1.614 -0.000 0.251) 1.634 5.862 ( -1.221 -0.000 0.048) 1.222 8.491 ( 15.592 0.000 11.162) 19.176 19.096 ( -0.359 -0.000 -0.043) 0.361 19.830 ( -0.529 -0.000 -0.621) 0.815 37.486 ( 0.711 0.000 1.120) 1.327 60.354 ( -3.298 -0.000 -12.337) 12.770 ======================= Grid point 338 (141/413) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -9.369 -0.000 16.173) 18.690 0.949 ( -21.662 -0.000 23.434) 31.912 2.139 ( 21.587 0.000 37.313) 43.108 2.450 ( 1.373 0.000 -6.844) 6.980 3.172 ( 7.797 0.000 3.484) 8.540 4.523 ( -3.412 -0.000 -14.022) 14.431 5.338 ( 22.510 0.000 -0.532) 22.516 5.354 ( 0.313 0.000 1.434) 1.467 5.472 ( 3.826 0.000 7.797) 8.685 5.834 ( -0.269 -0.000 -0.490) 0.559 7.178 ( -36.843 -0.000 -18.577) 41.262 19.089 ( -0.002 -0.000 -0.120) 0.120 19.789 ( -0.112 -0.000 0.278) 0.299 37.499 ( 1.242 0.000 0.408) 1.307 62.303 ( 31.168 0.000 0.084) 31.168 ======================= Grid point 339 (142/413) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 7.543 -25.134 12.245) 28.958 1.011 ( -2.009 -18.115 17.930) 25.567 2.494 ( 10.694 -3.015 2.479) 11.384 2.684 ( 20.635 -12.347 15.826) 28.788 3.363 ( 12.419 -1.496 12.448) 17.647 4.254 ( -11.278 10.528 -13.703) 20.635 5.308 ( 2.999 7.102 1.442) 7.843 5.487 ( -0.574 3.964 6.802) 7.893 5.624 ( 12.403 0.518 -6.239) 13.894 5.930 ( 4.452 -9.502 3.909) 11.198 6.787 ( -22.168 -12.145 -18.567) 31.363 19.094 ( 0.130 -0.677 -0.231) 0.727 19.793 ( 0.356 -0.121 0.237) 0.445 37.506 ( 0.569 1.161 0.836) 1.540 62.348 ( 3.367 20.859 -1.861) 21.210 ======================= Grid point 340 (143/413) ======================= q-point: ( 0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 17.169 -11.548 12.941) 24.405 1.556 ( 6.858 -37.761 5.108) 38.717 2.706 ( 9.587 -8.516 -2.368) 13.040 3.242 ( 23.153 -15.440 10.079) 29.598 3.612 ( 11.235 -0.180 18.948) 22.029 3.907 ( -9.782 8.557 -13.493) 18.734 5.243 ( 1.373 7.173 -1.060) 7.380 5.400 ( -2.509 8.252 3.540) 9.323 5.691 ( 3.144 -0.509 -5.437) 6.301 6.139 ( 3.337 -6.970 8.905) 11.791 6.692 ( -9.408 -17.058 -23.433) 30.473 19.106 ( 0.171 -0.887 -0.251) 0.938 19.802 ( 0.504 -0.189 0.183) 0.569 37.498 ( 0.359 1.330 1.593) 2.106 61.958 ( -10.001 27.184 3.217) 29.144 ======================= Grid point 341 (144/413) ======================= q-point: ( 0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 20.527 -12.021 8.503) 25.262 2.163 ( 8.642 -33.336 2.285) 34.513 2.942 ( 9.048 -8.576 -1.381) 12.543 3.493 ( -6.637 5.695 -13.664) 16.222 3.787 ( 10.053 -4.524 1.619) 11.142 3.967 ( 16.623 -12.656 21.094) 29.689 5.139 ( -1.475 6.414 -3.429) 7.421 5.248 ( -2.332 10.265 0.275) 10.530 5.686 ( -1.612 -0.831 -4.022) 4.412 6.263 ( -1.383 -4.663 4.946) 6.937 6.756 ( -1.376 -15.668 -17.173) 23.287 19.119 ( 0.137 -0.843 -0.181) 0.873 19.813 ( 0.516 -0.207 0.178) 0.583 37.499 ( 0.748 0.876 2.021) 2.327 61.435 ( -14.875 26.857 4.226) 30.991 ======================= Grid point 342 (145/413) ======================= q-point: ( 0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 20.291 -10.791 5.163) 23.554 2.695 ( 8.066 -27.717 0.530) 28.872 3.079 ( -3.244 2.861 -7.887) 8.995 3.272 ( -0.488 -2.709 -10.262) 10.625 3.938 ( 4.505 -2.544 2.943) 5.952 4.504 ( 17.251 -15.403 16.685) 28.518 5.001 ( -7.678 3.992 -1.043) 8.716 5.089 ( 2.962 10.907 -3.896) 11.955 5.645 ( -4.328 -1.555 -3.020) 5.502 6.287 ( -2.667 -2.999 -1.620) 4.327 6.891 ( 1.312 -11.514 -8.109) 14.144 19.130 ( 0.048 -0.650 -0.109) 0.661 19.823 ( 0.439 -0.178 0.193) 0.511 37.510 ( 0.916 0.692 1.818) 2.150 60.902 ( -15.440 23.536 2.649) 28.273 ======================= Grid point 343 (146/413) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 4.059 -0.119 -6.748) 7.875 2.839 ( -1.222 -2.292 -9.689) 10.031 3.134 ( 8.682 -19.774 0.123) 21.596 3.387 ( 3.960 -4.588 0.581) 6.088 4.014 ( 2.037 -2.712 -2.782) 4.387 4.810 ( -6.331 5.324 2.127) 8.541 4.933 ( 4.732 -9.912 10.810) 15.411 5.017 ( 5.957 5.956 -1.862) 8.627 5.583 ( -6.959 -0.493 -0.088) 6.977 6.316 ( 2.931 -5.516 -3.458) 7.140 6.998 ( 0.320 -6.322 -4.990) 8.060 19.137 ( -0.013 -0.421 -0.052) 0.424 19.830 ( 0.294 -0.123 0.213) 0.383 37.515 ( 0.513 1.074 1.095) 1.617 60.435 ( -13.021 17.791 0.469) 22.052 ======================= Grid point 344 (147/413) ======================= q-point: ( 0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -15.276 7.345 -17.860) 24.622 3.068 ( 10.850 -7.032 0.595) 12.944 3.425 ( 1.267 1.764 0.165) 2.178 3.478 ( 6.222 -12.543 0.760) 14.023 4.052 ( 1.505 -3.542 -8.539) 9.367 4.682 ( -5.966 -0.044 1.789) 6.228 4.928 ( -1.590 5.542 -5.003) 7.634 5.169 ( 4.382 -2.300 14.382) 15.210 5.444 ( -11.339 2.690 1.234) 11.718 6.505 ( 9.030 -8.855 -0.237) 12.649 7.028 ( -0.205 -3.052 -5.646) 6.422 19.141 ( -0.004 -0.210 -0.013) 0.211 19.835 ( 0.107 -0.065 0.233) 0.265 37.503 ( -0.021 1.578 0.419) 1.632 60.096 ( -8.742 10.249 -1.342) 13.538 ======================= Grid point 345 (148/413) ======================= q-point: (-0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -15.864 6.804 -13.892) 22.157 3.198 ( -2.118 4.233 3.704) 6.010 3.317 ( -1.351 5.181 -1.896) 5.680 3.719 ( 7.493 -7.216 -1.507) 10.511 4.076 ( 1.794 -4.036 -13.502) 14.206 4.662 ( -9.841 -2.595 -0.129) 10.179 4.743 ( -2.194 8.600 -0.697) 8.903 5.208 ( -4.287 5.849 7.058) 10.119 5.354 ( -3.101 -5.718 6.102) 8.919 6.626 ( -0.680 3.763 -0.052) 3.825 7.136 ( 8.518 -11.295 -4.019) 14.707 19.143 ( 0.054 0.007 -0.013) 0.056 19.837 ( -0.101 -0.021 0.244) 0.265 37.481 ( -0.027 1.564 0.368) 1.607 59.917 ( -4.123 2.404 -2.300) 5.298 ======================= Grid point 346 (149/413) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -15.272 7.387 -6.167) 18.051 2.915 ( -13.289 17.726 5.637) 22.860 3.282 ( -0.012 2.715 -4.474) 5.233 3.816 ( -0.284 0.721 -0.857) 1.155 4.081 ( -0.781 -0.556 -13.323) 13.357 4.305 ( -15.443 12.032 -6.047) 20.489 4.812 ( 3.119 -5.774 1.775) 6.799 5.130 ( -2.162 0.730 0.786) 2.414 5.419 ( -3.047 -2.968 9.048) 9.998 6.450 ( -6.313 10.833 -2.480) 12.782 7.453 ( 11.660 -14.270 -0.699) 18.441 19.142 ( 0.136 0.263 -0.071) 0.304 19.835 ( -0.323 -0.009 0.228) 0.395 37.470 ( 0.526 0.927 0.877) 1.380 59.891 ( -0.432 -3.863 -1.647) 4.222 ======================= Grid point 347 (150/413) ======================= q-point: (-0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -12.678 8.839 6.830) 16.897 2.477 ( -16.166 21.400 6.424) 27.579 3.178 ( -2.589 6.842 -4.923) 8.817 3.643 ( -23.590 20.248 12.063) 33.346 3.713 ( -9.496 7.762 -9.741) 15.662 4.195 ( 3.602 -4.853 -25.724) 26.425 4.938 ( 3.020 -5.115 1.652) 6.165 5.130 ( 1.591 -0.696 -0.090) 1.739 5.428 ( -4.555 -0.592 7.901) 9.139 6.205 ( -5.823 10.392 -2.047) 12.088 7.788 ( 10.072 -13.537 -0.710) 16.888 19.138 ( 0.238 0.555 -0.202) 0.636 19.831 ( -0.562 -0.042 0.149) 0.583 37.477 ( 0.872 0.196 1.135) 1.445 59.984 ( 2.542 -7.327 2.529) 8.157 ======================= Grid point 348 (151/413) ======================= q-point: (-0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -4.368 9.432 25.912) 27.919 1.980 ( -17.255 23.484 7.786) 30.164 2.904 ( -22.776 20.268 5.152) 30.921 3.094 ( -12.740 12.937 0.973) 18.183 3.468 ( -6.431 10.224 -4.603) 12.926 4.154 ( -0.381 -4.103 -27.343) 27.652 5.034 ( 1.967 -2.675 2.002) 3.877 5.183 ( 4.305 -0.648 1.051) 4.478 5.405 ( -2.861 0.192 5.085) 5.837 6.021 ( -3.239 6.942 -0.098) 7.661 8.057 ( 5.274 -11.950 -5.738) 14.267 19.131 ( 0.295 0.888 -0.444) 1.036 19.823 ( -0.834 -0.093 -0.035) 0.839 37.490 ( 0.264 -0.068 0.428) 0.507 60.193 ( 8.385 -8.896 13.781) 18.422 ======================= Grid point 349 (152/413) ======================= q-point: (-0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.792 8.580 37.616) 39.015 1.474 ( -14.471 24.282 11.290) 30.438 2.233 ( -34.197 21.648 15.590) 43.372 2.836 ( -4.689 12.954 -3.953) 14.332 3.259 ( -3.356 7.681 -3.770) 9.191 4.127 ( 4.401 -7.288 -17.526) 19.484 5.083 ( 0.903 -0.491 2.694) 2.884 5.265 ( 5.311 -0.510 2.841) 6.045 5.401 ( 0.487 0.531 1.358) 1.537 5.922 ( -1.146 4.336 1.023) 4.600 8.138 ( -7.693 -7.191 -18.293) 21.107 19.117 ( 0.133 1.214 -0.689) 1.402 19.810 ( -1.081 -0.048 -0.222) 1.104 37.486 ( -0.687 0.009 -0.440) 0.816 60.647 ( 25.452 -13.473 31.237) 42.486 ======================= Grid point 350 (153/413) ======================= q-point: (-0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -14.608 21.652 12.729) 29.056 1.276 ( -14.155 14.481 23.587) 31.087 1.803 ( -3.114 5.853 38.496) 39.063 2.582 ( -3.284 11.530 -5.825) 13.329 3.143 ( 0.377 3.409 -3.373) 4.810 4.364 ( 13.830 -14.026 -7.579) 21.106 5.119 ( 4.486 0.076 3.288) 5.563 5.354 ( 4.749 0.430 2.794) 5.527 5.405 ( 2.587 2.058 1.482) 3.623 5.867 ( -0.229 3.273 0.602) 3.336 7.809 ( -30.689 2.409 -27.312) 41.152 19.098 ( -0.125 1.006 -0.425) 1.099 19.796 ( -0.872 0.077 -0.005) 0.875 37.481 ( 0.229 -0.363 0.104) 0.442 61.526 ( 46.970 -18.805 27.042) 57.368 ======================= Grid point 352 (154/413) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 10.843 0.000 13.581) 17.378 1.213 ( 23.590 0.000 14.059) 27.462 2.565 ( 11.319 0.000 -6.885) 13.248 3.010 ( 25.257 0.000 9.429) 26.960 3.607 ( 11.794 0.000 23.190) 26.017 4.066 ( -15.167 -0.000 -14.350) 20.880 5.396 ( 1.795 0.000 1.433) 2.297 5.523 ( -1.588 -0.000 5.268) 5.502 5.839 ( 0.970 0.000 -0.536) 1.109 5.871 ( 13.022 0.000 -0.786) 13.046 6.371 ( -13.985 -0.000 -21.132) 25.341 19.093 ( 0.379 0.000 -0.114) 0.396 19.800 ( 0.567 0.000 0.164) 0.590 37.522 ( 0.083 0.000 1.089) 1.093 62.374 ( -14.720 -0.000 -5.308) 15.648 ======================= Grid point 353 (155/413) ======================= q-point: ( 0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 11.916 -23.140 9.455) 27.692 1.666 ( 29.596 -5.038 8.866) 31.303 2.742 ( 13.616 -4.822 -5.797) 15.565 3.386 ( 17.890 -7.200 -3.834) 19.662 3.758 ( -8.376 0.374 -10.404) 13.362 3.893 ( 7.450 3.015 27.421) 28.574 5.361 ( 1.253 8.479 -0.525) 8.587 5.490 ( -2.625 4.420 2.568) 5.746 5.741 ( 2.955 7.731 -6.037) 10.244 6.105 ( -1.826 -6.278 10.129) 12.056 6.240 ( -3.186 -18.886 -27.507) 33.518 19.101 ( 0.489 -0.392 -0.121) 0.639 19.809 ( 0.640 -0.064 0.157) 0.662 37.524 ( 0.272 0.698 1.645) 1.808 62.009 ( -21.613 12.591 -2.288) 25.117 ======================= Grid point 354 (156/413) ======================= q-point: ( 0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 10.596 -26.500 6.230) 29.212 2.179 ( 28.550 -7.933 4.922) 30.038 2.977 ( 13.007 -5.733 -3.570) 14.656 3.348 ( -12.372 3.329 -18.128) 22.199 3.822 ( 8.632 -7.641 -3.865) 12.159 4.179 ( 13.876 -4.431 28.267) 31.799 5.203 ( -2.328 10.859 -5.805) 12.531 5.379 ( -0.080 7.922 -2.451) 8.293 5.649 ( -2.038 4.019 -4.516) 6.380 6.129 ( -6.631 -8.870 -2.378) 11.327 6.459 ( 2.281 -18.706 -7.901) 20.434 19.114 ( 0.476 -0.500 -0.114) 0.700 19.819 ( 0.621 -0.071 0.181) 0.651 37.530 ( 0.765 0.707 1.881) 2.150 61.493 ( -22.479 17.855 -0.821) 28.719 ======================= Grid point 355 (157/413) ======================= q-point: ( 0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 9.454 -24.081 3.860) 26.156 2.637 ( 18.017 -7.163 -2.234) 19.517 3.009 ( -7.197 4.568 -12.621) 15.230 3.235 ( 9.608 -5.669 -3.437) 11.673 3.951 ( 2.518 -3.366 -2.312) 4.798 4.595 ( 12.876 -11.618 18.579) 25.416 4.985 ( -6.155 8.264 -5.543) 11.701 5.269 ( 4.298 9.991 -4.523) 11.779 5.547 ( -5.523 0.303 -2.599) 6.111 6.158 ( -3.968 -7.493 -2.124) 8.741 6.686 ( 0.107 -15.745 -3.870) 16.214 19.125 ( 0.394 -0.415 -0.091) 0.580 19.828 ( 0.510 -0.030 0.201) 0.549 37.539 ( 0.769 0.713 1.500) 1.830 60.952 ( -20.273 18.578 -1.028) 27.517 ======================= Grid point 356 (158/413) ======================= q-point: ( 0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -17.042 4.449 -19.275) 26.110 2.706 ( 8.394 -18.912 2.407) 20.831 3.182 ( 20.705 -6.623 0.915) 21.758 3.412 ( 7.204 -2.845 1.065) 7.818 3.988 ( 1.797 -1.887 -7.554) 7.991 4.744 ( -9.506 3.506 -2.157) 10.359 4.960 ( 5.234 -6.330 11.944) 14.496 5.185 ( 5.791 8.753 -3.748) 11.145 5.478 ( -6.800 -1.285 2.173) 7.254 6.236 ( 1.927 -9.110 -1.312) 9.404 6.838 ( -2.808 -11.576 -3.796) 12.502 19.134 ( 0.335 -0.260 -0.053) 0.427 19.835 ( 0.327 0.031 0.213) 0.392 37.539 ( 0.174 1.038 0.693) 1.260 60.466 ( -16.009 15.853 -1.633) 22.589 ======================= Grid point 357 (159/413) ======================= q-point: (-0.54 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -16.644 5.613 -15.049) 23.130 3.030 ( 5.528 -13.621 0.975) 14.732 3.477 ( 0.179 3.480 3.669) 5.060 3.528 ( 17.555 -5.599 -0.658) 18.438 3.992 ( 2.502 -1.758 -14.152) 14.479 4.588 ( -7.579 -0.226 0.015) 7.582 4.997 ( 0.084 6.595 -2.213) 6.957 5.223 ( 2.050 -2.213 5.688) 6.438 5.377 ( -8.046 4.378 8.568) 12.543 6.459 ( 6.521 -13.265 0.902) 14.809 6.892 ( -4.795 -8.089 -5.450) 10.869 19.141 ( 0.343 -0.103 -0.013) 0.359 19.838 ( 0.109 0.090 0.218) 0.260 37.522 ( -0.411 1.334 0.027) 1.397 60.100 ( -10.614 10.521 -1.777) 15.050 ======================= Grid point 358 (160/413) ======================= q-point: (-0.46 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -13.196 6.476 -6.334) 16.006 3.212 ( 0.743 -3.641 1.611) 4.051 3.342 ( -8.065 8.462 3.967) 12.345 3.775 ( 11.373 -2.383 -2.612) 11.910 3.979 ( 2.552 -3.189 -20.018) 20.430 4.535 ( -5.460 -0.466 -0.872) 5.549 4.872 ( 1.914 10.546 0.392) 10.726 5.166 ( -8.855 1.368 3.992) 9.809 5.368 ( 1.544 0.247 10.931) 11.042 6.613 ( -3.806 -1.003 -0.583) 3.979 6.996 ( 2.570 -17.243 -3.629) 17.807 19.146 ( 0.395 0.068 -0.014) 0.401 19.837 ( -0.122 0.141 0.214) 0.284 37.499 ( -0.405 1.108 -0.056) 1.181 59.890 ( -5.220 3.963 -0.817) 6.605 ======================= Grid point 359 (161/413) ======================= q-point: (-0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -8.171 8.740 6.185) 13.469 2.969 ( -17.200 15.372 7.697) 24.318 3.298 ( 0.873 0.872 -2.374) 2.676 3.827 ( 0.794 3.520 -6.141) 7.122 3.983 ( 2.201 -3.785 -20.839) 21.294 4.298 ( -11.565 15.876 -0.841) 19.660 4.872 ( 8.210 1.530 2.629) 8.755 5.119 ( -0.212 -0.650 3.374) 3.443 5.414 ( -1.527 0.044 8.870) 9.000 6.459 ( -8.242 6.741 -3.226) 11.126 7.309 ( 3.631 -21.035 -0.751) 21.359 19.149 ( 0.455 0.272 -0.094) 0.538 19.833 ( -0.356 0.184 0.191) 0.444 37.486 ( 0.012 0.410 0.225) 0.468 59.844 ( -0.489 -2.237 2.244) 3.207 ======================= Grid point 360 (162/413) ======================= q-point: (-0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -0.420 11.001 21.935) 24.543 2.523 ( -21.316 17.289 8.955) 28.870 3.243 ( 0.750 6.818 -3.404) 7.658 3.680 ( -8.689 15.558 -9.147) 20.031 3.728 ( -10.108 15.524 2.701) 18.721 4.061 ( -0.622 -0.733 -20.937) 20.959 4.993 ( 8.281 -0.130 1.412) 8.402 5.183 ( 5.855 -0.000 3.410) 6.775 5.412 ( -2.803 0.479 6.174) 6.797 6.240 ( -6.344 8.086 -2.131) 10.496 7.615 ( 0.171 -20.319 -1.899) 20.408 19.150 ( 0.490 0.504 -0.295) 0.763 19.825 ( -0.575 0.220 0.146) 0.633 37.487 ( 0.047 -0.138 0.168) 0.222 59.959 ( 4.413 -7.399 9.038) 12.486 ======================= Grid point 361 (163/413) ======================= q-point: (-0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 9.551 11.130 35.405) 38.323 2.035 ( -22.166 17.898 11.297) 30.648 3.012 ( -12.385 27.601 0.512) 30.257 3.203 ( -2.319 16.785 0.118) 16.945 3.522 ( -4.341 10.156 -1.178) 11.108 3.970 ( -1.233 -3.767 -24.675) 24.991 5.086 ( 4.770 0.564 1.541) 5.045 5.284 ( 7.387 1.392 4.223) 8.622 5.403 ( 0.765 0.193 0.972) 1.252 6.077 ( -2.380 6.663 0.777) 7.118 7.813 ( -6.273 -16.656 -7.688) 19.387 19.145 ( 0.400 0.795 -0.652) 1.103 19.813 ( -0.711 0.266 0.106) 0.766 37.485 ( -0.597 -0.102 -0.373) 0.712 60.267 ( 12.250 -13.401 20.371) 27.288 ======================= Grid point 362 (164/413) ======================= q-point: (-0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -13.831 18.132 17.909) 28.997 1.733 ( 9.382 11.136 32.811) 35.897 2.375 ( -13.342 35.794 9.231) 39.300 3.015 ( 2.388 16.717 -1.637) 16.965 3.326 ( -1.853 9.876 -2.293) 10.307 3.979 ( 3.035 -10.872 -15.057) 18.819 5.125 ( 1.571 0.300 2.136) 2.669 5.360 ( 2.678 0.043 4.526) 5.259 5.453 ( 9.027 1.690 -3.789) 9.935 5.998 ( 1.001 5.667 3.236) 6.602 7.774 ( -17.212 -6.933 -17.305) 25.373 19.131 ( 0.091 1.164 -0.962) 1.513 19.801 ( -0.586 0.322 0.160) 0.688 37.473 ( -0.772 -0.097 -0.267) 0.823 60.870 ( 23.547 -24.399 29.089) 44.676 ======================= Grid point 363 (165/413) ======================= q-point: (-0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -11.373 17.250 17.026) 26.772 1.536 ( -8.633 38.079 9.311) 40.140 2.212 ( 18.241 7.160 33.575) 38.875 2.779 ( 3.134 19.778 -2.264) 20.152 3.246 ( 6.742 5.488 1.199) 8.775 4.171 ( 0.367 -17.786 -9.167) 20.013 5.173 ( 2.971 -2.976 2.194) 4.744 5.414 ( 0.461 -2.721 3.641) 4.569 5.534 ( 11.223 3.965 -4.706) 12.799 5.964 ( 3.111 6.411 4.364) 8.356 7.373 ( -26.448 7.988 -21.609) 35.075 19.110 ( -0.099 1.253 -0.702) 1.439 19.793 ( -0.104 0.275 0.272) 0.401 37.478 ( 0.321 -1.022 0.652) 1.254 61.731 ( 23.902 -33.402 17.646) 44.703 ======================= Grid point 366 (166/413) ======================= q-point: ( 0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 15.879 0.000 9.527) 18.517 2.081 ( 31.118 0.000 6.559) 31.802 2.888 ( 16.527 0.000 -5.787) 17.511 3.379 ( -8.643 -0.000 -16.590) 18.706 3.685 ( 7.655 0.000 -5.667) 9.525 4.161 ( 9.033 0.000 31.166) 32.448 5.455 ( -5.905 -0.000 -4.982) 7.726 5.468 ( 2.674 0.000 0.981) 2.848 5.856 ( -5.324 -0.000 -30.851) 31.307 5.874 ( 1.825 0.000 -0.356) 1.859 6.086 ( 0.080 0.000 9.950) 9.950 19.106 ( 0.681 0.000 -0.091) 0.687 19.818 ( 0.692 0.000 0.174) 0.714 37.541 ( 0.472 0.000 1.652) 1.719 61.753 ( -25.884 -0.000 -3.296) 26.093 ======================= Grid point 367 (167/413) ======================= q-point: ( 0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 14.016 -14.879 7.208) 21.674 2.516 ( 26.609 -2.209 2.687) 26.836 3.095 ( 4.403 0.541 -8.518) 9.604 3.126 ( -1.575 -1.165 -13.337) 13.480 3.805 ( 5.210 -5.077 -3.925) 8.265 4.427 ( 10.588 -1.603 25.914) 28.040 5.243 ( -8.782 7.530 -16.985) 20.550 5.431 ( 1.604 5.839 -0.610) 6.086 5.723 ( 1.093 6.993 -11.143) 13.201 5.890 ( -3.624 -8.280 0.058) 9.039 6.241 ( -0.999 -14.900 4.232) 15.521 19.117 ( 0.724 -0.173 -0.085) 0.749 19.828 ( 0.646 0.004 0.194) 0.674 37.553 ( 0.580 0.277 1.371) 1.515 61.334 ( -25.244 8.030 -3.329) 26.699 ======================= Grid point 368 (168/413) ======================= q-point: ( 0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 10.114 -19.616 4.148) 22.456 2.626 ( -11.504 2.215 -15.741) 19.622 3.072 ( 20.315 -2.151 -0.886) 20.447 3.335 ( 14.155 -2.188 -1.348) 14.386 3.898 ( 1.561 -5.014 -5.203) 7.393 4.703 ( 7.092 -4.573 15.396) 17.557 4.960 ( -8.068 5.646 -8.948) 13.305 5.388 ( 2.668 3.688 -2.204) 5.057 5.555 ( -1.696 10.355 -3.943) 11.210 5.990 ( -1.625 -9.889 0.233) 10.025 6.442 ( -3.006 -16.257 0.844) 16.554 19.128 ( 0.672 -0.165 -0.072) 0.696 19.836 ( 0.500 0.060 0.194) 0.540 37.558 ( 0.140 0.412 0.666) 0.796 60.864 ( -21.812 11.912 -3.308) 25.072 ======================= Grid point 369 (169/413) ======================= q-point: ( 0.38 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -15.146 1.979 -14.372) 20.974 2.576 ( 6.939 -17.041 2.633) 18.587 3.405 ( 21.017 -3.542 -3.932) 21.673 3.520 ( 10.078 0.302 5.075) 11.288 3.946 ( 3.300 -2.645 -9.851) 10.720 4.636 ( -11.292 2.828 -6.731) 13.447 4.999 ( 2.486 -3.418 13.433) 14.083 5.357 ( 4.306 7.857 -3.826) 9.742 5.418 ( -3.334 2.183 3.426) 5.255 6.122 ( 1.626 -10.519 0.827) 10.676 6.590 ( -5.764 -14.137 -1.873) 15.381 19.138 ( 0.616 -0.085 -0.037) 0.623 19.841 ( 0.298 0.135 0.184) 0.375 37.549 ( -0.665 0.629 -0.219) 0.941 60.426 ( -16.722 12.144 -2.973) 20.879 ======================= Grid point 370 (170/413) ======================= q-point: (-0.54 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -11.080 5.184 -6.162) 13.698 2.908 ( 5.612 -15.610 2.512) 16.777 3.554 ( -0.125 4.603 2.957) 5.472 3.700 ( 14.044 -2.198 -2.637) 14.457 3.964 ( 5.823 1.075 -14.688) 15.836 4.480 ( -5.783 -2.096 -2.242) 6.547 5.050 ( -1.344 1.510 5.451) 5.813 5.279 ( 0.215 7.898 -0.825) 7.944 5.405 ( -0.767 0.906 9.910) 9.981 6.338 ( 3.334 -14.620 1.834) 15.107 6.649 ( -8.207 -10.925 -4.365) 14.344 19.147 ( 0.598 0.001 0.003) 0.598 19.842 ( 0.086 0.209 0.175) 0.285 37.524 ( -1.179 0.713 -0.794) 1.590 60.082 ( -10.896 9.310 -1.923) 14.460 ======================= Grid point 371 (171/413) ======================= q-point: (-0.46 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -3.809 7.532 6.531) 10.673 3.146 ( 2.187 -9.117 1.827) 9.552 3.358 ( -14.086 10.810 7.720) 19.362 3.840 ( 6.109 -5.041 -18.984) 20.570 3.953 ( 7.393 5.465 -8.341) 12.414 4.495 ( 1.791 -1.083 -2.156) 3.005 5.052 ( 4.653 3.595 4.837) 7.614 5.133 ( -3.955 7.907 3.746) 9.601 5.436 ( 0.003 1.103 8.376) 8.448 6.500 ( -6.039 -4.899 -1.288) 7.883 6.727 ( -2.749 -19.625 -1.790) 19.897 19.154 ( 0.591 0.102 0.002) 0.600 19.840 ( -0.115 0.286 0.169) 0.351 37.497 ( -1.011 0.385 -0.789) 1.339 59.877 ( -5.201 4.393 0.352) 6.818 ======================= Grid point 372 (172/413) ======================= q-point: (-0.38 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 3.443 10.278 19.835) 22.603 2.941 ( -21.547 13.712 8.515) 26.922 3.301 ( 1.965 -2.946 1.285) 3.767 3.830 ( 1.734 -1.368 -24.757) 24.856 3.924 ( 3.230 5.358 -6.946) 9.348 4.399 ( -3.960 14.147 -1.097) 14.731 5.050 ( 6.324 5.160 2.566) 8.556 5.163 ( 7.144 -1.068 7.291) 10.263 5.438 ( -1.723 1.326 5.317) 5.744 6.387 ( -8.641 1.792 -3.920) 9.657 7.002 ( -2.982 -23.794 1.119) 24.006 19.159 ( 0.550 0.236 -0.086) 0.604 19.833 ( -0.289 0.374 0.165) 0.500 37.483 ( -0.534 -0.163 -0.496) 0.746 59.833 ( -0.033 -1.549 4.613) 4.866 ======================= Grid point 373 (173/413) ======================= q-point: (-0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 10.488 11.475 31.024) 34.701 2.483 ( -23.107 15.351 10.164) 29.545 3.334 ( 2.892 3.502 0.236) 4.548 3.733 ( 0.897 3.548 -16.590) 16.988 3.792 ( -2.353 10.661 -12.557) 16.639 4.068 ( -6.556 18.913 -1.261) 20.057 5.108 ( 5.235 1.153 0.782) 5.417 5.312 ( 6.691 0.421 8.466) 10.799 5.425 ( 2.852 1.357 -0.469) 3.193 6.233 ( -5.340 3.846 -2.286) 6.966 7.266 ( -6.057 -22.960 -0.179) 23.746 19.161 ( 0.433 0.410 -0.283) 0.660 19.824 ( -0.395 0.463 0.169) 0.632 37.479 ( -0.437 -0.358 -0.405) 0.695 59.966 ( 5.020 -8.272 11.446) 14.988 ======================= Grid point 374 (174/413) ======================= q-point: (-0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 8.373 12.903 30.690) 34.329 2.042 ( -12.612 14.103 17.629) 25.860 3.242 ( -1.299 17.940 -2.105) 18.110 3.472 ( 1.924 21.887 -1.181) 22.003 3.618 ( -0.502 9.153 -1.340) 9.264 3.814 ( -2.837 1.216 -19.064) 19.312 5.132 ( -0.375 0.323 0.398) 0.635 5.360 ( -1.005 -0.037 4.642) 4.749 5.513 ( 12.537 2.615 -2.729) 13.095 6.140 ( -0.248 4.053 1.402) 4.296 7.430 ( -9.867 -17.645 -5.391) 20.923 19.156 ( 0.191 0.671 -0.563) 0.897 19.812 ( -0.350 0.523 0.200) 0.660 37.473 ( -0.707 -0.057 -0.377) 0.803 60.306 ( 10.278 -16.979 19.426) 27.772 ======================= Grid point 375 (175/413) ======================= q-point: (-0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -11.907 18.383 13.317) 25.633 2.210 ( 14.700 10.625 30.785) 35.731 2.797 ( -1.985 33.272 2.468) 33.423 3.320 ( 6.144 18.647 5.523) 20.395 3.465 ( 3.644 10.580 -2.064) 11.379 3.800 ( 1.807 -9.495 -15.457) 18.230 5.118 ( -2.111 -1.645 -0.099) 2.678 5.361 ( -1.819 -0.965 1.115) 2.342 5.616 ( 10.091 2.676 -3.429) 10.988 6.120 ( 3.379 4.649 4.977) 7.603 7.400 ( -13.713 -6.448 -13.179) 20.083 19.142 ( -0.095 1.020 -0.724) 1.255 19.803 ( -0.094 0.496 0.248) 0.563 37.463 ( -0.499 -0.070 0.281) 0.577 60.867 ( 12.628 -27.991 22.466) 38.049 ======================= Grid point 376 (176/413) ======================= q-point: (-0.08 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.593 16.814 13.877) 21.955 2.039 ( -0.459 37.387 5.620) 37.810 2.656 ( 13.142 9.495 14.349) 21.650 3.178 ( 11.773 20.379 11.731) 26.297 3.458 ( 11.158 6.211 1.774) 12.893 3.901 ( -2.358 -11.888 -10.866) 16.278 5.145 ( 0.485 -4.764 -0.447) 4.810 5.355 ( -3.685 -3.641 1.043) 5.284 5.674 ( 6.149 2.165 -4.369) 7.848 6.133 ( 4.504 5.802 7.413) 10.436 7.125 ( -13.937 7.820 -19.403) 25.137 19.122 ( -0.118 1.176 -0.542) 1.301 19.800 ( 0.254 0.357 0.242) 0.500 37.471 ( 0.194 -0.920 1.238) 1.555 61.519 ( 5.201 -34.268 14.671) 37.638 ======================= Grid point 380 (177/413) ======================= q-point: ( 0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 14.150 0.000 6.967) 15.772 2.654 ( -8.811 -0.000 -14.430) 16.907 3.046 ( 17.584 0.000 -2.282) 17.732 3.306 ( 17.476 0.000 -3.754) 17.875 3.802 ( 2.347 0.000 -3.244) 4.004 4.645 ( 7.556 0.000 20.370) 21.727 5.050 ( -12.138 -0.000 -17.180) 21.035 5.552 ( 3.103 0.000 0.453) 3.135 5.636 ( 0.992 0.000 -13.709) 13.745 5.922 ( 1.826 0.000 -0.174) 1.834 6.088 ( -6.546 -0.000 11.114) 12.899 19.126 ( 0.819 0.000 -0.074) 0.822 19.837 ( 0.565 0.000 0.187) 0.595 37.564 ( 0.057 0.000 0.573) 0.576 61.036 ( -24.114 -0.000 -4.272) 24.490 ======================= Grid point 381 (178/413) ======================= q-point: ( 0.31 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 10.478 -8.777 4.638) 14.434 2.382 ( -14.623 0.197 -13.730) 20.060 3.340 ( 21.456 -1.153 -3.550) 21.778 3.520 ( 15.824 -0.098 -0.920) 15.851 3.850 ( 3.870 -3.090 -2.114) 5.385 4.686 ( -11.024 0.595 -9.951) 14.863 4.936 ( 2.126 -0.804 14.890) 15.062 5.485 ( 2.286 7.138 -2.952) 8.056 5.634 ( -0.370 3.774 -7.409) 8.323 5.902 ( 0.874 -1.890 4.595) 5.045 6.185 ( -5.331 -14.346 3.987) 15.816 19.137 ( 0.792 -0.027 -0.064) 0.795 19.844 ( 0.402 0.065 0.158) 0.436 37.558 ( -0.789 0.133 -0.375) 0.884 60.678 ( -20.525 5.319 -4.294) 21.633 ======================= Grid point 382 (179/413) ======================= q-point: ( 0.38 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -8.141 3.731 -5.365) 10.439 2.466 ( 7.550 -15.203 3.948) 17.428 3.554 ( 11.677 -1.938 -10.109) 15.566 3.714 ( 11.504 1.123 3.867) 12.189 3.966 ( 9.898 -1.204 -2.639) 10.314 4.440 ( -14.339 -0.781 -9.447) 17.189 5.063 ( 1.138 -0.136 14.294) 14.340 5.421 ( -0.515 2.859 1.597) 3.315 5.521 ( 2.312 8.419 -2.937) 9.211 6.019 ( 1.695 -8.531 2.602) 9.078 6.307 ( -6.740 -13.685 -0.164) 15.255 19.147 ( 0.727 0.002 -0.036) 0.728 19.848 ( 0.214 0.153 0.126) 0.292 37.536 ( -1.547 0.226 -1.165) 1.949 60.328 ( -15.557 7.597 -3.574) 17.678 ======================= Grid point 383 (180/413) ======================= q-point: (-0.54 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -0.355 5.852 6.513) 8.762 2.789 ( 5.927 -15.420 3.813) 16.954 3.591 ( -5.320 3.951 1.586) 6.813 3.757 ( 2.156 0.856 -12.248) 12.466 4.087 ( 11.862 3.679 -4.374) 13.167 4.362 ( 0.784 -7.454 -4.091) 8.539 5.081 ( -1.198 1.926 7.544) 7.878 5.405 ( 0.310 5.702 4.365) 7.187 5.456 ( 1.731 3.187 2.378) 4.337 6.190 ( 0.890 -12.212 2.891) 12.581 6.364 ( -8.796 -10.986 -2.901) 14.369 19.156 ( 0.663 0.032 -0.000) 0.664 19.847 ( 0.047 0.246 0.112) 0.275 37.505 ( -1.693 0.175 -1.452) 2.237 60.043 ( -10.057 6.871 -2.041) 12.350 ======================= Grid point 384 (181/413) ======================= q-point: (-0.46 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 6.674 8.192 18.469) 21.278 3.052 ( 2.671 -11.096 3.086) 11.823 3.309 ( -20.155 9.778 9.418) 24.301 3.741 ( 3.609 -3.138 -23.649) 24.128 4.121 ( 7.178 7.099 -5.302) 11.404 4.517 ( 8.046 -4.175 -4.012) 9.913 5.107 ( 1.752 -0.363 7.057) 7.281 5.319 ( 3.817 10.327 3.896) 11.679 5.462 ( -1.654 0.259 4.228) 4.548 6.325 ( -7.478 -5.972 -3.155) 10.077 6.415 ( -4.298 -17.844 2.862) 18.576 19.163 ( 0.574 0.076 0.000) 0.579 19.843 ( -0.085 0.350 0.116) 0.378 37.479 ( -1.147 -0.120 -1.179) 1.649 59.868 ( -4.741 3.589 0.596) 5.976 ======================= Grid point 385 (182/413) ======================= q-point: (-0.38 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 11.412 10.082 27.628) 31.546 2.859 ( -22.255 12.251 8.712) 26.856 3.278 ( 2.510 -7.174 4.745) 8.960 3.701 ( 1.245 -2.530 -25.596) 25.751 4.050 ( 3.425 9.236 -6.544) 11.826 4.542 ( 1.890 9.776 -3.947) 10.711 5.151 ( 2.411 1.682 3.138) 4.300 5.331 ( 3.209 2.118 9.916) 10.635 5.460 ( 4.851 1.065 -1.448) 5.173 6.250 ( -7.970 -2.751 -4.598) 9.604 6.643 ( -5.206 -21.267 5.223) 22.510 19.168 ( 0.425 0.162 -0.066) 0.459 19.837 ( -0.177 0.466 0.132) 0.516 37.468 ( -0.449 -0.414 -0.691) 0.922 59.833 ( -0.085 -1.674 4.698) 4.988 ======================= Grid point 386 (183/413) ======================= q-point: (-0.31 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 14.081 10.331 32.397) 36.804 2.442 ( -18.839 14.029 10.301) 25.648 3.405 ( 3.690 -1.656 5.003) 6.433 3.625 ( -0.021 -2.579 -24.550) 24.685 3.916 ( 2.891 11.601 -7.433) 14.078 4.295 ( -2.925 21.541 -1.155) 21.769 5.150 ( -2.025 1.076 -0.102) 2.296 5.350 ( -2.313 -0.849 5.859) 6.356 5.580 ( 13.450 2.017 -1.711) 13.708 6.177 ( -3.930 -1.706 -3.040) 5.253 6.883 ( -5.929 -21.314 3.989) 22.480 19.169 ( 0.206 0.306 -0.193) 0.416 19.828 ( -0.192 0.567 0.161) 0.619 37.468 ( -0.172 -0.308 -0.333) 0.485 59.959 ( 3.606 -8.671 10.059) 13.762 ======================= Grid point 387 (184/413) ======================= q-point: (-0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -11.460 15.867 10.582) 22.250 2.452 ( 14.873 8.656 31.568) 35.953 3.422 ( 0.506 9.299 1.162) 9.385 3.585 ( 2.466 -4.878 -16.648) 17.522 3.775 ( 7.082 12.616 -7.009) 16.076 3.936 ( -1.952 24.618 3.073) 24.886 5.082 ( -5.845 -0.845 -1.764) 6.163 5.350 ( -2.099 -0.221 1.774) 2.757 5.691 ( 8.975 2.777 -2.146) 9.637 6.176 ( 1.551 -1.215 0.150) 1.976 7.073 ( -5.756 -16.328 -1.243) 17.357 19.163 ( -0.052 0.542 -0.331) 0.637 19.818 ( -0.086 0.599 0.198) 0.637 37.466 ( -0.207 0.119 0.048) 0.244 60.254 ( 5.470 -17.342 14.881) 23.497 ======================= Grid point 388 (185/413) ======================= q-point: (-0.15 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.118 16.633 10.278) 19.552 2.646 ( 11.192 9.350 23.103) 27.321 3.165 ( -0.677 23.360 -2.727) 23.528 3.592 ( -2.213 3.186 -12.824) 13.398 3.697 ( 4.615 3.867 4.655) 7.610 3.766 ( 16.909 16.169 4.144) 23.760 5.030 ( -4.256 -3.669 -2.780) 6.269 5.309 ( -4.999 -0.244 -0.053) 5.005 5.731 ( 4.051 2.132 -2.557) 5.243 6.230 ( 3.958 0.644 3.280) 5.180 7.134 ( -5.349 -6.433 -8.782) 12.130 19.150 ( -0.224 0.835 -0.381) 0.945 19.812 ( 0.124 0.526 0.218) 0.583 37.463 ( 0.004 0.176 0.796) 0.815 60.685 ( 3.292 -26.094 15.776) 30.669 ======================= Grid point 389 (186/413) ======================= q-point: (-0.08 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 12.942 14.785 9.464) 21.810 2.543 ( 2.807 30.314 5.153) 30.877 2.959 ( 6.849 10.950 3.226) 13.312 3.505 ( -0.116 -0.600 -3.262) 3.319 3.730 ( 7.673 5.318 -1.368) 9.436 3.855 ( 16.687 12.029 11.054) 23.353 5.058 ( -0.200 -6.865 -2.979) 7.486 5.239 ( -7.332 -2.724 0.066) 7.822 5.725 ( 0.815 1.490 -3.160) 3.587 6.275 ( 2.781 2.735 5.373) 6.640 7.020 ( -4.202 5.651 -15.252) 16.799 19.133 ( -0.153 0.988 -0.297) 1.043 19.810 ( 0.347 0.374 0.201) 0.548 37.473 ( 0.473 -0.408 1.639) 1.754 61.134 ( -4.504 -30.404 11.125) 32.687 ======================= Grid point 394 (187/413) ======================= q-point: ( 0.31 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -8.835 -0.000 -5.952) 10.653 2.192 ( 10.434 0.000 5.426) 11.760 3.525 ( 12.042 0.000 -11.299) 16.513 3.720 ( 15.018 0.000 -2.111) 15.166 3.940 ( 10.165 0.000 7.790) 12.807 4.432 ( -17.049 -0.000 -13.558) 21.783 5.056 ( 3.084 0.000 18.256) 18.515 5.524 ( -2.777 -0.000 -8.688) 9.121 5.638 ( 3.090 0.000 0.010) 3.090 5.962 ( 1.227 0.000 0.042) 1.228 6.001 ( -4.906 -0.000 7.311) 8.804 19.147 ( 0.769 0.000 -0.064) 0.772 19.850 ( 0.253 0.000 0.104) 0.274 37.539 ( -1.628 -0.000 -1.260) 2.059 60.438 ( -17.364 -0.000 -4.331) 17.896 ======================= Grid point 395 (188/413) ======================= q-point: ( 0.38 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 1.315 3.948 5.931) 7.245 2.415 ( 7.722 -9.928 4.887) 13.493 3.591 ( 5.436 -0.955 -11.807) 13.033 3.865 ( 5.037 4.027 -0.564) 6.473 4.089 ( -2.747 -4.054 10.160) 11.279 4.215 ( 3.387 -1.036 -15.772) 16.165 5.141 ( -0.609 1.463 12.458) 12.559 5.435 ( -2.954 1.365 -0.188) 3.260 5.640 ( 2.767 5.207 -0.989) 5.979 5.972 ( 1.244 -3.247 3.128) 4.677 6.073 ( -4.040 -9.223 0.735) 10.096 19.156 ( 0.680 0.007 -0.050) 0.682 19.852 ( 0.115 0.096 0.063) 0.162 37.507 ( -1.930 0.029 -1.685) 2.563 60.192 ( -13.132 3.232 -3.655) 14.009 ======================= Grid point 396 (189/413) ======================= q-point: (-0.54 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 8.457 5.441 16.674) 19.472 2.687 ( 5.393 -13.488 4.610) 15.240 3.526 ( -16.267 4.588 6.262) 18.024 3.712 ( 0.224 2.165 -18.973) 19.098 4.242 ( 8.000 -4.733 -0.193) 9.297 4.304 ( 9.564 -3.052 -7.234) 12.374 5.135 ( -0.021 2.194 6.353) 6.722 5.417 ( -3.916 -1.141 6.536) 7.705 5.590 ( 3.648 7.319 -0.800) 8.217 6.073 ( -0.643 -7.647 3.778) 8.553 6.124 ( -5.231 -7.860 -1.680) 9.590 19.164 ( 0.566 0.006 -0.025) 0.567 19.851 ( 0.016 0.203 0.052) 0.210 37.476 ( -1.478 -0.053 -1.530) 2.128 59.983 ( -8.463 3.958 -2.294) 9.621 ======================= Grid point 397 (190/413) ======================= q-point: (-0.46 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 12.244 6.969 24.874) 28.587 2.945 ( 2.668 -12.426 3.971) 13.315 3.178 ( -23.029 7.428 10.193) 26.256 3.654 ( 3.217 -0.439 -23.387) 23.611 4.267 ( 4.727 6.366 -5.970) 9.926 4.531 ( 9.429 -8.938 -5.403) 14.071 5.172 ( 3.305 0.351 5.263) 6.225 5.379 ( -7.738 -0.431 6.034) 9.822 5.552 ( 6.267 6.432 -0.013) 8.980 6.110 ( -8.052 -6.393 -1.900) 10.456 6.212 ( -1.205 -10.260 4.528) 11.279 19.171 ( 0.411 0.021 -0.021) 0.412 19.847 ( -0.050 0.322 0.066) 0.333 37.459 ( -0.543 -0.236 -0.969) 1.136 59.850 ( -3.974 2.192 -0.086) 4.539 ======================= Grid point 398 (191/413) ======================= q-point: (-0.38 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 13.165 8.227 29.050) 32.938 2.777 ( -18.429 10.567 8.954) 23.054 3.207 ( 2.157 -12.170 6.868) 14.140 3.574 ( -0.086 -0.628 -23.743) 23.751 4.193 ( 4.559 8.657 -6.977) 12.017 4.649 ( 3.922 2.653 -6.718) 8.219 5.191 ( -3.549 1.613 0.571) 3.940 5.319 ( -3.966 -1.170 6.172) 7.429 5.619 ( 11.504 1.449 -0.052) 11.595 6.066 ( -7.797 -5.194 -2.673) 9.742 6.380 ( -2.054 -14.291 6.944) 16.021 19.174 ( 0.198 0.081 -0.053) 0.220 19.842 ( -0.085 0.449 0.093) 0.466 37.458 ( 0.245 -0.318 -0.392) 0.561 59.824 ( -0.306 -1.790 3.066) 3.563 ======================= Grid point 399 (192/413) ======================= q-point: (-0.31 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -11.345 11.851 9.106) 18.763 2.686 ( 12.413 8.445 26.912) 30.816 3.423 ( 3.081 -7.827 9.775) 12.896 3.477 ( -0.794 -2.220 -20.264) 20.401 4.101 ( 6.568 11.003 -6.912) 14.559 4.511 ( -0.765 14.804 -5.172) 15.700 5.074 ( -9.164 0.161 -2.027) 9.387 5.337 ( -1.064 -0.669 3.699) 3.907 5.755 ( 9.693 1.611 -1.507) 9.941 6.052 ( -3.255 -6.914 -2.735) 8.117 6.605 ( -0.595 -16.577 6.423) 17.788 19.173 ( -0.044 0.197 -0.101) 0.226 19.834 ( -0.069 0.545 0.127) 0.564 37.466 ( 0.464 -0.089 -0.025) 0.473 59.921 ( 1.833 -7.635 6.701) 10.322 ======================= Grid point 400 (193/413) ======================= q-point: (-0.23 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -1.646 13.446 8.156) 15.812 2.836 ( 8.992 5.821 17.307) 20.353 3.421 ( -0.920 -2.812 -11.832) 12.197 3.581 ( 3.523 0.935 9.821) 10.476 4.019 ( 8.410 12.289 -5.045) 15.722 4.257 ( 2.523 18.276 -0.073) 18.449 4.956 ( -7.558 -1.747 -3.808) 8.641 5.315 ( -4.447 0.437 2.052) 4.917 5.791 ( 1.853 2.298 -1.404) 3.269 6.146 ( 3.721 -6.595 -2.825) 8.082 6.842 ( 1.214 -13.858 1.873) 14.036 19.166 ( -0.252 0.379 -0.136) 0.475 19.827 ( 0.020 0.563 0.162) 0.586 37.471 ( 0.330 0.272 0.312) 0.529 60.134 ( 1.550 -14.670 9.463) 17.526 ======================= Grid point 401 (194/413) ======================= q-point: (-0.15 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 8.844 13.709 7.025) 17.762 2.927 ( 5.189 2.952 7.971) 9.959 3.370 ( -0.027 6.863 -3.844) 7.866 3.527 ( -2.031 8.914 -6.163) 11.026 3.917 ( 4.939 11.465 3.230) 12.895 4.227 ( 16.645 10.915 10.512) 22.510 4.901 ( -3.474 -4.272 -4.704) 7.242 5.228 ( -7.927 1.207 1.525) 8.162 5.762 ( -1.086 1.185 -1.517) 2.210 6.262 ( 4.022 -3.674 -2.025) 5.811 6.999 ( 1.671 -6.454 -4.079) 7.816 19.155 ( -0.336 0.594 -0.141) 0.697 19.822 ( 0.165 0.486 0.183) 0.545 37.473 ( 0.356 0.271 0.878) 0.985 60.423 ( -1.996 -21.216 9.662) 23.397 ======================= Grid point 402 (195/413) ======================= q-point: (-0.08 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 17.464 12.063 5.969) 22.048 2.934 ( 3.839 12.935 4.018) 14.079 3.169 ( 0.007 13.821 -3.958) 14.377 3.373 ( -3.275 0.886 -12.799) 13.241 3.902 ( 5.317 5.492 5.690) 9.529 4.380 ( 19.192 12.611 15.008) 27.434 4.945 ( 1.239 -7.575 -4.627) 8.963 5.101 ( -9.948 -0.086 1.265) 10.029 5.718 ( -2.387 1.001 -2.214) 3.406 6.319 ( 1.043 -0.589 -1.288) 1.759 7.014 ( 1.438 3.134 -8.213) 8.907 19.141 ( -0.230 0.721 -0.125) 0.767 19.820 ( 0.316 0.343 0.189) 0.503 37.485 ( 0.665 -0.219 1.526) 1.679 60.709 ( -8.436 -24.695 6.872) 26.985 ======================= Grid point 408 (196/413) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 8.727 0.000 15.903) 18.140 2.459 ( 6.214 0.000 4.799) 7.851 3.568 ( -6.124 -0.000 -1.530) 6.312 3.808 ( -12.355 -0.000 -10.958) 16.514 4.040 ( 9.877 0.000 -1.680) 10.019 4.333 ( 10.043 0.000 -4.058) 10.832 5.178 ( -1.797 -0.000 6.729) 6.965 5.399 ( -3.966 -0.000 4.347) 5.885 5.709 ( 2.262 0.000 -0.573) 2.334 5.969 ( -1.413 -0.000 2.605) 2.964 5.990 ( 0.718 0.000 0.559) 0.910 19.164 ( 0.557 0.000 -0.054) 0.559 19.854 ( 0.042 0.000 0.022) 0.048 37.476 ( -1.556 -0.000 -1.605) 2.235 60.042 ( -9.883 -0.000 -3.347) 10.435 ======================= Grid point 409 (197/413) ======================= q-point: (-0.54 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 11.889 3.654 21.809) 25.106 2.618 ( 4.079 -8.816 5.409) 11.119 3.339 ( -24.072 3.340 10.228) 26.367 3.690 ( 5.541 2.565 -22.430) 23.246 4.215 ( 7.504 -9.533 -2.432) 12.374 4.393 ( 4.746 2.050 -5.863) 7.816 5.188 ( 1.712 0.588 3.455) 3.900 5.362 ( -6.655 -0.328 6.783) 9.508 5.705 ( 2.251 3.660 -0.681) 4.351 5.980 ( -2.576 -2.647 1.329) 3.925 6.028 ( 0.487 -3.758 1.370) 4.030 19.171 ( 0.404 -0.010 -0.042) 0.406 19.853 ( 0.004 0.112 0.016) 0.113 37.455 ( -0.597 -0.058 -1.075) 1.231 59.909 ( -6.171 1.467 -2.590) 6.852 ======================= Grid point 410 (198/413) ======================= q-point: (-0.46 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 12.073 3.797 25.568) 28.529 2.824 ( 1.696 -12.196 4.775) 13.207 3.019 ( -19.535 5.985 10.408) 22.930 3.608 ( 2.132 3.147 -21.348) 21.683 4.371 ( 5.011 4.181 -6.360) 9.113 4.458 ( 5.549 -12.987 -5.242) 15.065 5.208 ( -3.853 -0.018 -0.285) 3.864 5.308 ( -2.506 0.333 7.733) 8.136 5.690 ( 3.780 3.193 0.046) 4.949 5.968 ( -4.226 -1.795 0.225) 4.597 6.110 ( -0.121 -6.498 2.897) 7.115 19.175 ( 0.214 -0.005 -0.036) 0.217 19.851 ( -0.021 0.236 0.032) 0.239 37.452 ( 0.418 -0.139 -0.460) 0.636 59.824 ( -2.526 0.976 -1.228) 2.974 ======================= Grid point 411 (199/413) ======================= q-point: (-0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -10.490 6.908 9.273) 15.612 2.895 ( 8.300 6.449 18.496) 21.274 3.075 ( 2.312 -15.491 10.468) 18.838 3.481 ( -1.137 2.583 -16.045) 16.291 4.348 ( 7.571 7.042 -6.403) 12.162 4.626 ( 1.176 -6.950 -7.657) 10.408 5.080 ( -11.104 0.297 -1.651) 11.230 5.342 ( 1.448 1.301 5.311) 5.656 5.751 ( 7.498 -1.376 0.500) 7.640 5.925 ( -4.986 -1.148 0.012) 5.117 6.239 ( 0.756 -10.190 4.156) 11.031 19.176 ( -0.015 0.042 -0.040) 0.060 19.847 ( -0.040 0.363 0.058) 0.369 37.463 ( 0.923 -0.123 -0.101) 0.936 59.810 ( 0.291 -1.335 0.745) 1.556 ======================= Grid point 412 (200/413) ======================= q-point: (-0.31 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -2.675 9.086 6.755) 11.634 2.960 ( 3.270 3.284 0.854) 4.713 3.308 ( -2.907 -9.428 -1.799) 10.029 3.481 ( 7.940 -2.218 18.019) 19.815 4.320 ( 9.022 9.669 -5.518) 14.330 4.589 ( -3.202 3.869 -8.216) 9.630 4.932 ( -8.651 -0.112 -3.094) 9.188 5.337 ( -2.352 1.657 4.337) 5.204 5.851 ( -0.561 2.010 -0.932) 2.286 5.932 ( 5.008 -7.658 -0.775) 9.183 6.452 ( 3.689 -13.837 4.045) 14.881 19.173 ( -0.236 0.125 -0.037) 0.270 19.841 ( -0.033 0.454 0.091) 0.464 37.475 ( 0.759 0.049 -0.043) 0.762 59.874 ( 1.443 -5.138 2.910) 6.078 ======================= Grid point 413 (201/413) ======================= q-point: (-0.23 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 6.368 10.467 5.403) 13.391 2.923 ( -1.477 -1.724 -12.185) 12.395 3.362 ( -0.678 -3.793 3.405) 5.143 3.716 ( 5.274 1.185 21.079) 21.761 4.270 ( 6.387 12.001 -3.337) 13.999 4.446 ( 1.456 5.730 -2.825) 6.553 4.836 ( -3.771 -0.581 -4.366) 5.798 5.277 ( -5.827 2.171 4.987) 7.971 5.787 ( -4.039 0.742 -1.060) 4.241 6.116 ( 8.074 -6.110 -3.473) 10.704 6.718 ( 5.361 -13.327 1.489) 14.442 19.166 ( -0.387 0.240 -0.018) 0.455 19.835 ( 0.021 0.471 0.131) 0.490 37.480 ( 0.320 0.178 0.011) 0.366 60.006 ( 0.283 -9.830 4.402) 10.774 ======================= Grid point 414 (202/413) ======================= q-point: (-0.15 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 12.976 10.384 3.906) 17.072 2.888 ( -2.807 -6.090 -13.663) 15.219 3.405 ( 0.175 -0.073 3.551) 3.556 3.688 ( -1.780 13.968 4.172) 14.685 4.133 ( 2.059 11.417 0.065) 11.601 4.536 ( 10.743 -0.101 10.153) 14.782 4.812 ( 0.819 -1.952 -4.251) 4.749 5.171 ( -7.562 3.746 5.744) 10.208 5.724 ( -4.300 -0.391 -1.123) 4.461 6.261 ( 6.870 -2.990 -4.855) 8.928 6.936 ( 4.769 -8.281 -1.966) 9.756 19.156 ( -0.416 0.373 -0.009) 0.558 19.830 ( 0.114 0.406 0.169) 0.455 37.482 ( 0.148 -0.052 0.352) 0.385 60.173 ( -3.255 -14.331 4.396) 15.339 ======================= Grid point 415 (203/413) ======================= q-point: (-0.08 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 15.255 7.762 1.633) 17.194 2.878 ( -3.861 -7.315 -13.268) 15.635 3.382 ( 0.108 11.475 -0.567) 11.489 3.429 ( 0.074 13.581 -0.411) 13.587 4.047 ( 2.141 6.168 0.740) 6.570 4.720 ( 6.906 -1.543 8.664) 11.186 4.878 ( 4.837 -3.382 0.298) 5.910 5.035 ( -6.271 5.745 5.448) 10.100 5.666 ( -5.245 -0.564 -0.896) 5.350 6.330 ( 4.776 1.133 -4.844) 6.897 7.036 ( 2.889 -0.908 -4.454) 5.387 19.145 ( -0.290 0.459 -0.026) 0.544 19.829 ( 0.215 0.281 0.197) 0.405 37.492 ( 0.352 -0.621 0.867) 1.123 60.330 ( -8.260 -17.286 2.815) 19.364 ======================= Grid point 422 (204/413) ======================= q-point: ( 0.46 -0.54 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 1.646 0.000 4.556) 4.844 2.729 ( 10.688 0.000 24.050) 26.318 3.109 ( -19.279 -0.000 11.080) 22.236 3.689 ( 4.733 0.000 -21.879) 22.385 4.204 ( 3.513 0.000 -1.781) 3.939 4.434 ( 4.546 0.000 -6.482) 7.917 5.208 ( -3.118 -0.000 -0.416) 3.146 5.316 ( -2.346 -0.000 8.232) 8.560 5.739 ( 0.473 0.000 -1.187) 1.278 5.954 ( -1.231 -0.000 1.409) 1.871 6.015 ( 0.599 0.000 1.135) 1.284 19.174 ( 0.229 0.000 -0.040) 0.232 19.854 ( 0.001 0.000 0.007) 0.007 37.450 ( 0.451 0.000 -0.477) 0.657 59.842 ( -3.256 -0.000 -2.666) 4.209 ======================= Grid point 424 (205/413) ======================= q-point: (-0.46 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -0.594 -8.624 4.633) 9.808 2.823 ( -8.929 2.144 10.289) 13.791 3.055 ( 6.779 3.425 19.497) 20.924 3.597 ( 0.249 4.734 -15.024) 15.754 4.305 ( 0.751 -11.134 -3.158) 11.597 4.475 ( 8.296 2.315 -5.690) 10.323 5.093 ( -11.018 0.383 -0.874) 11.059 5.377 ( 4.940 0.855 5.768) 7.642 5.734 ( 0.539 -0.151 -0.746) 0.933 5.933 ( -1.625 0.858 0.461) 1.895 6.053 ( 0.282 -3.626 1.585) 3.968 19.176 ( 0.033 0.003 -0.034) 0.047 19.853 ( -0.014 0.124 0.014) 0.126 37.460 ( 1.082 -0.039 -0.144) 1.093 59.805 ( -0.178 0.296 -2.291) 2.317 ======================= Grid point 425 (206/413) ======================= q-point: (-0.38 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -3.681 4.252 5.842) 8.109 2.851 ( -2.379 -13.406 3.804) 14.137 3.127 ( 1.391 3.480 -6.954) 7.900 3.546 ( 5.739 4.226 16.953) 18.390 4.435 ( -3.156 -11.274 -6.079) 13.191 4.529 ( 8.945 4.324 -3.945) 10.690 4.940 ( -9.007 0.339 -1.559) 9.147 5.420 ( 2.060 4.158 3.830) 6.017 5.784 ( 3.183 -3.568 1.005) 4.886 5.897 ( -0.801 1.327 -0.630) 1.673 6.146 ( 1.681 -8.093 1.716) 8.442 19.175 ( -0.181 0.042 -0.026) 0.188 19.851 ( -0.043 0.246 0.031) 0.252 37.475 ( 0.988 -0.025 -0.240) 1.017 59.811 ( 2.212 -0.427 -1.463) 2.686 ======================= Grid point 426 (207/413) ======================= q-point: (-0.31 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 5.264 5.939 3.734) 8.771 2.905 ( -4.925 0.115 -17.077) 17.774 3.087 ( -5.593 -13.916 -0.024) 14.998 3.749 ( 10.891 2.675 30.757) 32.738 4.449 ( -5.372 -4.999 -7.109) 10.217 4.533 ( 3.429 5.809 -2.837) 7.318 4.855 ( -1.171 1.230 -1.609) 2.339 5.363 ( -3.069 4.915 4.169) 7.139 5.805 ( -3.880 0.479 -1.318) 4.126 5.971 ( 8.614 -4.152 0.796) 9.595 6.347 ( 5.811 -12.920 0.847) 14.192 19.170 ( -0.366 0.095 -0.002) 0.378 19.846 ( -0.059 0.334 0.065) 0.345 37.482 ( 0.341 0.007 -0.571) 0.665 59.859 ( 3.013 -1.955 -0.493) 3.625 ======================= Grid point 427 (208/413) ======================= q-point: (-0.23 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 3.472 5.737 -3.121) 7.397 2.758 ( 1.259 -1.352 -15.580) 15.689 3.228 ( -5.304 -13.522 4.895) 15.327 3.922 ( 3.167 5.322 16.755) 17.863 4.402 ( -4.856 2.409 -2.880) 6.139 4.492 ( 5.085 1.193 4.307) 6.770 4.837 ( 3.711 3.351 -2.072) 5.412 5.261 ( -6.593 3.714 5.984) 9.648 5.726 ( -4.751 0.877 -2.051) 5.249 6.161 ( 9.855 -4.705 -0.473) 10.931 6.626 ( 8.128 -13.230 -0.925) 15.555 19.163 ( -0.468 0.148 0.035) 0.492 19.841 ( -0.037 0.356 0.118) 0.376 37.480 ( -0.304 -0.124 -0.718) 0.789 59.933 ( 1.724 -4.081 0.120) 4.432 ======================= Grid point 428 (209/413) ======================= q-point: (-0.15 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -7.277 -4.640 -16.491) 18.613 2.836 ( 14.243 4.941 -1.259) 15.128 3.336 ( -4.926 -9.353 4.297) 11.411 3.842 ( -2.375 10.306 0.384) 10.583 4.256 ( -2.694 7.528 -2.057) 8.256 4.643 ( 4.725 -2.783 9.615) 11.068 4.854 ( 5.926 1.864 1.955) 6.512 5.144 ( -8.797 2.364 6.702) 11.309 5.645 ( -5.345 0.084 -1.586) 5.576 6.338 ( 10.268 -1.874 -1.637) 10.566 6.878 ( 7.213 -9.332 -3.022) 12.176 19.154 ( -0.452 0.205 0.047) 0.499 19.837 ( 0.018 0.309 0.176) 0.356 37.476 ( -0.462 -0.588 -0.408) 0.852 60.008 ( -1.410 -6.498 0.041) 6.649 ======================= Grid point 429 (210/413) ======================= q-point: (-0.08 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -10.845 -7.608 -17.382) 21.855 2.963 ( 15.084 5.336 0.157) 16.001 3.391 ( -3.242 -5.002 2.550) 6.483 3.642 ( -0.169 14.343 -2.681) 14.593 4.132 ( -0.308 5.771 -3.702) 6.863 4.710 ( -0.499 -1.139 0.999) 1.596 4.937 ( 0.705 0.215 1.969) 2.103 5.073 ( -2.253 -0.711 13.262) 13.470 5.556 ( -7.989 -0.602 -1.061) 8.082 6.461 ( 10.187 3.172 -1.405) 10.761 7.024 ( 4.125 -3.260 -4.771) 7.100 19.146 ( -0.297 0.244 0.019) 0.384 19.835 ( 0.074 0.206 0.218) 0.309 37.483 ( -0.185 -1.229 0.155) 1.253 60.066 ( -5.358 -8.738 -0.607) 10.268 ======================= Grid point 437 (211/413) ======================= q-point: (-0.46 -0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -3.350 -0.000 4.330) 5.475 2.777 ( -3.523 -0.000 5.488) 6.521 3.212 ( 2.606 0.000 -5.205) 5.821 3.629 ( 3.742 0.000 11.975) 12.546 4.200 ( -2.483 -0.000 -1.475) 2.888 4.594 ( 8.957 0.000 -3.685) 9.686 4.944 ( -9.786 -0.000 -0.808) 9.820 5.506 ( 9.455 0.000 4.229) 10.358 5.716 ( -1.269 -0.000 -1.232) 1.768 5.918 ( -2.026 -0.000 -0.224) 2.038 6.037 ( 0.141 0.000 1.105) 1.114 19.175 ( -0.148 -0.000 -0.029) 0.151 19.854 ( -0.041 -0.000 0.008) 0.041 37.474 ( 1.040 0.000 -0.294) 1.081 59.811 ( 2.652 0.000 -2.956) 3.971 ======================= Grid point 438 (212/413) ======================= q-point: (-0.38 -0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -5.696 -8.762 4.363) 11.326 2.791 ( 4.640 1.512 1.124) 5.008 3.063 ( -6.851 4.392 -22.497) 23.924 3.821 ( 10.013 1.892 30.273) 31.942 4.207 ( -5.680 -8.568 -2.643) 10.614 4.627 ( -0.845 1.271 -2.997) 3.363 4.880 ( 0.966 0.525 2.458) 2.693 5.559 ( 3.459 9.074 1.237) 9.789 5.775 ( 4.112 -4.533 -0.818) 6.175 5.898 ( 1.022 -1.314 0.320) 1.695 6.077 ( 0.998 -5.551 0.726) 5.687 19.172 ( -0.335 0.033 -0.024) 0.338 19.852 ( -0.087 0.119 0.017) 0.149 37.482 ( 0.354 -0.015 -0.798) 0.873 59.848 ( 4.992 0.261 -3.224) 5.948 ======================= Grid point 439 (213/413) ======================= q-point: (-0.31 -0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -7.708 -6.393 -6.968) 12.200 2.763 ( -5.233 -4.510 -13.274) 14.964 2.903 ( 6.135 1.822 0.973) 6.474 4.034 ( 5.238 2.969 19.861) 20.753 4.235 ( -5.500 -9.448 0.139) 10.933 4.574 ( -2.590 0.926 2.132) 3.480 4.926 ( 4.569 2.129 4.245) 6.590 5.439 ( -2.072 9.665 1.731) 10.035 5.763 ( -3.077 1.441 -3.643) 4.982 6.031 ( 6.936 -3.863 2.448) 8.308 6.275 ( 10.363 -12.340 -0.473) 16.121 19.165 ( -0.484 0.062 -0.002) 0.488 19.849 ( -0.120 0.204 0.058) 0.244 37.477 ( -0.515 -0.086 -1.263) 1.366 59.901 ( 5.827 0.636 -3.327) 6.740 ======================= Grid point 440 (214/413) ======================= q-point: (-0.23 -0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -10.454 -0.946 -22.238) 24.591 2.897 ( -3.985 -15.395 2.777) 16.143 3.000 ( 8.041 0.879 1.448) 8.217 4.016 ( -4.010 2.933 -1.530) 5.198 4.306 ( -4.096 -4.375 1.875) 6.280 4.593 ( 1.143 -0.486 14.655) 14.708 4.963 ( 4.499 4.056 3.832) 7.168 5.272 ( -5.705 8.684 2.843) 10.773 5.678 ( -3.632 1.907 -2.760) 4.944 6.194 ( 5.159 -7.499 1.314) 9.197 6.611 ( 15.896 -9.936 -1.547) 18.810 19.158 ( -0.544 0.063 0.031) 0.549 19.845 ( -0.116 0.235 0.129) 0.292 37.463 ( -0.994 -0.350 -1.262) 1.644 59.947 ( 4.660 0.901 -3.479) 5.885 ======================= Grid point 441 (215/413) ======================= q-point: (-0.15 -0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -11.731 -5.134 -19.473) 23.306 3.065 ( -8.190 -18.003 3.076) 20.016 3.093 ( 11.363 4.021 -0.034) 12.053 3.897 ( -2.771 4.792 -5.444) 7.764 4.253 ( -4.125 1.507 -2.711) 5.161 4.684 ( -2.730 -3.259 10.334) 11.174 4.989 ( 3.338 3.313 6.367) 7.916 5.086 ( -7.267 6.377 3.206) 10.186 5.592 ( -4.102 2.452 -0.811) 4.847 6.376 ( 4.084 -9.069 0.483) 9.958 6.916 ( 16.062 -4.166 -2.682) 16.809 19.150 ( -0.482 0.051 0.041) 0.486 19.841 ( -0.090 0.212 0.202) 0.307 37.453 ( -0.811 -0.873 -0.683) 1.374 59.965 ( 1.829 0.599 -3.609) 4.090 ======================= Grid point 442 (216/413) ======================= q-point: (-0.08 -0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -14.060 -7.066 -17.164) 23.285 3.146 ( -3.419 -6.370 3.389) 7.985 3.229 ( 4.197 -5.888 -1.582) 7.402 3.778 ( 1.226 7.394 -4.056) 8.522 4.164 ( -0.832 3.488 -6.557) 7.473 4.702 ( -4.181 -4.216 1.482) 6.120 4.854 ( -10.995 4.713 0.841) 11.992 5.110 ( 2.246 -2.560 10.730) 11.257 5.482 ( -5.769 4.179 0.679) 7.156 6.536 ( 2.199 -7.568 0.212) 7.884 7.106 ( 13.338 3.454 -3.581) 14.236 19.144 ( -0.276 0.034 0.015) 0.279 19.838 ( -0.081 0.143 0.244) 0.294 37.460 ( -0.271 -1.425 0.073) 1.453 59.949 ( -1.548 -0.587 -3.321) 3.711 ======================= Grid point 451 (217/413) ======================= q-point: (-0.38 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -8.542 -0.000 4.357) 9.589 2.807 ( -6.274 -0.000 -23.414) 24.240 2.963 ( 5.644 0.000 -2.784) 6.293 4.055 ( -7.471 -0.000 -0.967) 7.534 4.081 ( 7.307 0.000 23.005) 24.138 4.577 ( -3.983 -0.000 2.586) 4.748 4.950 ( 3.372 0.000 7.263) 8.008 5.656 ( -2.390 -0.000 -0.829) 2.529 5.779 ( 0.523 0.000 -5.605) 5.630 5.985 ( 17.235 0.000 4.013) 17.696 6.037 ( -0.787 -0.000 0.678) 1.039 19.166 ( -0.493 -0.000 -0.032) 0.494 19.852 ( -0.145 -0.000 0.031) 0.148 37.475 ( -0.561 -0.000 -1.392) 1.500 59.917 ( 7.460 0.000 -4.603) 8.766 ======================= Grid point 452 (218/413) ======================= q-point: (-0.31 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -10.679 -10.234 4.517) 15.465 2.529 ( -12.694 2.050 -25.366) 28.439 3.082 ( 11.815 2.081 -0.375) 12.002 3.973 ( -9.422 -4.578 -2.177) 10.700 4.203 ( 1.506 -1.094 4.094) 4.497 4.579 ( -3.677 -0.502 15.347) 15.789 5.025 ( 3.164 0.889 9.591) 10.138 5.553 ( -2.233 8.782 -0.242) 9.065 5.724 ( -2.538 1.082 -4.976) 5.689 6.042 ( 0.056 -2.631 0.886) 2.776 6.349 ( 22.208 -7.994 1.851) 23.676 19.159 ( -0.614 0.013 -0.027) 0.615 19.849 ( -0.179 0.087 0.087) 0.217 37.457 ( -1.172 -0.090 -1.558) 1.952 59.993 ( 8.430 1.442 -5.783) 10.324 ======================= Grid point 453 (219/413) ======================= q-point: (-0.23 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -13.783 -0.080 -21.877) 25.857 2.532 ( -11.893 -18.190 4.327) 22.160 3.189 ( 9.497 2.978 -0.925) 9.996 3.900 ( -8.281 -4.498 -4.312) 10.363 4.222 ( -0.952 -1.961 -4.806) 5.278 4.584 ( -9.920 -2.746 15.295) 18.436 5.084 ( 2.519 2.835 8.724) 9.513 5.375 ( -2.734 12.090 0.097) 12.396 5.656 ( -2.143 1.963 -1.698) 3.366 6.114 ( -0.253 -7.823 0.032) 7.827 6.766 ( 23.254 -6.839 0.912) 24.256 19.150 ( -0.643 -0.031 -0.008) 0.644 19.846 ( -0.178 0.133 0.175) 0.283 37.437 ( -1.093 -0.323 -1.051) 1.550 60.038 ( 7.317 3.540 -6.701) 10.534 ======================= Grid point 454 (220/413) ======================= q-point: (-0.15 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -14.852 -3.845 -17.937) 23.603 2.663 ( -12.338 -21.632 3.770) 25.188 3.244 ( 4.656 1.627 -1.696) 5.215 3.844 ( -4.779 -2.974 -3.825) 6.805 4.194 ( -2.044 -0.888 -6.033) 6.431 4.524 ( -14.461 -5.506 5.686) 16.485 5.075 ( -1.919 5.800 5.320) 8.101 5.185 ( -0.610 9.934 0.956) 9.999 5.589 ( -3.242 3.259 1.650) 4.884 6.236 ( -1.411 -11.548 -0.870) 11.666 7.137 ( 22.036 -2.057 0.492) 22.137 19.143 ( -0.532 -0.117 -0.004) 0.544 19.842 ( -0.180 0.145 0.246) 0.338 37.431 ( -0.394 -0.703 -0.061) 0.808 60.027 ( 4.501 5.173 -6.772) 9.637 ======================= Grid point 455 (221/413) ======================= q-point: (-0.08 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -16.133 -6.363 -13.352) 21.887 2.804 ( -12.363 -20.565 3.884) 24.308 3.266 ( 1.019 -1.395 -3.549) 3.947 3.818 ( -1.935 -1.277 -0.609) 2.398 4.145 ( -2.307 -0.752 -7.514) 7.896 4.411 ( -15.644 -7.650 -4.144) 17.901 4.918 ( -2.302 10.611 1.475) 10.958 5.138 ( -0.311 0.919 2.398) 2.587 5.495 ( -4.676 4.343 4.821) 7.998 6.364 ( -3.684 -12.653 -1.677) 13.285 7.388 ( 18.264 5.628 0.007) 19.111 19.140 ( -0.253 -0.206 -0.031) 0.327 19.839 ( -0.233 0.117 0.261) 0.369 37.445 ( 0.363 -1.014 0.789) 1.335 59.966 ( 1.361 5.277 -5.127) 7.482 ======================= Grid point 465 (222/413) ======================= q-point: (-0.31 -0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -15.347 -0.000 -23.108) 27.740 2.254 ( -13.441 -0.000 5.073) 14.366 3.239 ( 9.436 0.000 -1.252) 9.519 3.790 ( -11.591 -0.000 -1.204) 11.653 4.197 ( 1.263 0.000 -7.951) 8.051 4.549 ( -11.435 -0.000 16.013) 19.677 5.123 ( 2.601 0.000 10.517) 10.834 5.577 ( -3.084 -0.000 -0.368) 3.105 5.684 ( -1.546 -0.000 -3.092) 3.457 6.008 ( -1.635 -0.000 0.295) 1.661 6.639 ( 26.225 0.000 2.547) 26.348 19.149 ( -0.719 -0.000 -0.044) 0.721 19.848 ( -0.203 -0.000 0.161) 0.259 37.433 ( -1.145 -0.000 -1.115) 1.598 60.095 ( 9.441 0.000 -8.006) 12.379 ======================= Grid point 466 (223/413) ======================= q-point: (-0.23 -0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -16.990 -0.055 -19.080) 25.548 2.166 ( -15.058 -11.681 5.341) 19.792 3.301 ( 2.503 2.332 -1.338) 3.674 3.670 ( -11.617 -6.811 -1.852) 13.593 4.162 ( -3.763 -0.896 -6.708) 7.743 4.444 ( -10.740 -0.965 5.117) 11.936 5.162 ( -0.898 1.519 6.088) 6.338 5.478 ( -3.032 7.768 -0.230) 8.342 5.649 ( -2.419 1.127 0.258) 2.681 6.014 ( -1.842 -4.201 -0.105) 4.588 7.032 ( 25.931 -3.755 2.846) 26.356 19.140 ( -0.736 -0.080 -0.043) 0.741 19.845 ( -0.197 0.062 0.247) 0.322 37.421 ( -0.409 -0.146 -0.035) 0.436 60.156 ( 8.203 3.074 -9.573) 12.976 ======================= Grid point 467 (224/413) ======================= q-point: (-0.15 -0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -18.072 -2.834 -13.670) 22.836 2.210 ( -15.140 -20.509 5.011) 25.979 3.246 ( -4.545 0.626 -2.689) 5.318 3.642 ( -10.579 -10.198 0.460) 14.701 4.034 ( -18.526 -4.500 1.264) 19.107 4.365 ( 1.516 1.258 -12.971) 13.119 5.125 ( -2.741 3.103 3.208) 5.237 5.306 ( -2.580 10.666 -1.043) 11.023 5.579 ( -5.765 1.851 2.298) 6.476 6.066 ( -2.690 -7.966 -0.947) 8.461 7.425 ( 23.910 -2.013 3.005) 24.182 19.133 ( -0.589 -0.257 -0.049) 0.645 19.843 ( -0.231 0.123 0.277) 0.381 37.428 ( 0.594 -0.316 1.137) 1.321 60.139 ( 5.217 6.173 -9.097) 12.169 ======================= Grid point 468 (225/413) ======================= q-point: (-0.08 -0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -17.870 -6.114 -5.746) 19.742 2.341 ( -14.473 -23.785 4.870) 28.265 3.180 ( -5.398 -3.845 -4.312) 7.907 3.642 ( -14.648 -11.859 7.132) 20.151 3.843 ( -21.846 -9.055 -2.436) 23.773 4.304 ( 5.845 4.230 -22.421) 23.553 5.026 ( -2.355 7.750 2.050) 8.355 5.163 ( -1.038 4.401 -2.058) 4.968 5.485 ( -6.536 1.577 5.713) 8.823 6.139 ( -4.294 -10.274 -1.683) 11.262 7.712 ( 18.918 4.687 1.695) 19.563 19.132 ( -0.223 -0.461 -0.098) 0.522 19.838 ( -0.377 0.153 0.220) 0.462 37.452 ( 1.172 -0.381 1.644) 2.054 60.061 ( 2.537 7.563 -4.864) 9.343 ======================= Grid point 479 (226/413) ======================= q-point: (-0.23 -0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -19.556 -0.000 -13.985) 24.042 1.890 ( -17.625 -0.000 6.494) 18.784 3.305 ( -5.150 -0.000 0.034) 5.150 3.422 ( -14.506 -0.000 -2.561) 14.730 3.971 ( -21.670 -0.000 2.619) 21.828 4.388 ( 5.110 0.000 -13.898) 14.807 5.162 ( -2.859 -0.000 2.752) 3.969 5.489 ( -3.316 -0.000 0.037) 3.316 5.599 ( -6.583 -0.000 -0.365) 6.593 5.960 ( -2.049 -0.000 0.094) 2.051 7.373 ( 26.122 0.000 4.495) 26.506 19.129 ( -0.768 -0.000 -0.057) 0.770 19.844 ( -0.192 -0.000 0.286) 0.345 37.424 ( 0.658 0.000 1.264) 1.425 60.233 ( 6.736 0.000 -11.118) 13.000 ======================= Grid point 480 (227/413) ======================= q-point: (-0.15 -0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -20.556 -1.830 -5.550) 21.371 1.774 ( -18.230 -13.994 6.806) 23.968 3.136 ( -12.819 1.759 -0.853) 12.967 3.315 ( -17.464 -10.568 2.872) 20.614 3.672 ( -24.408 -3.307 -1.192) 24.659 4.392 ( 7.807 1.818 -22.521) 23.905 5.124 ( -2.704 1.111 0.918) 3.064 5.382 ( -4.387 7.739 -1.356) 8.999 5.497 ( -8.288 -0.813 1.883) 8.538 5.954 ( -2.323 -3.247 -0.227) 3.999 7.743 ( 24.090 -0.857 4.191) 24.467 19.120 ( -0.642 -0.278 -0.072) 0.704 19.842 ( -0.266 0.112 0.200) 0.351 37.447 ( 1.408 -0.050 2.021) 2.464 60.231 ( 3.938 3.846 -8.581) 10.195 ======================= Grid point 481 (228/413) ======================= q-point: (-0.08 -0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -16.987 -5.605 8.524) 19.815 1.835 ( -16.527 -23.757 6.505) 29.662 2.975 ( -16.068 -6.778 0.995) 17.467 3.189 ( -27.506 -11.986 8.777) 31.261 3.480 ( -11.534 -8.364 -8.657) 16.672 4.317 ( 3.276 3.585 -27.464) 27.890 5.075 ( -1.485 2.794 1.306) 3.423 5.211 ( -2.330 6.569 -1.432) 7.116 5.431 ( -5.459 -0.407 5.362) 7.663 5.978 ( -2.924 -5.599 -0.460) 6.333 8.023 ( 17.625 4.102 -0.055) 18.096 19.120 ( -0.220 -0.687 -0.174) 0.742 19.835 ( -0.545 0.227 0.012) 0.591 37.475 ( 1.246 -0.007 1.612) 2.038 60.185 ( 3.564 6.397 1.011) 7.392 ======================= Grid point 493 (229/413) ======================= q-point: (-0.15 -0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -19.097 -0.000 9.314) 21.247 1.444 ( -20.574 -0.000 8.457) 22.245 2.893 ( -33.676 -0.000 13.964) 36.457 2.995 ( -14.510 -0.000 -4.466) 15.182 3.359 ( -13.825 -0.000 -7.835) 15.891 4.369 ( 3.119 0.000 -27.670) 27.846 5.103 ( -1.250 -0.000 -0.330) 1.293 5.359 ( -8.399 -0.000 3.068) 8.942 5.408 ( -2.784 -0.000 0.493) 2.828 5.906 ( -1.938 -0.000 -0.043) 1.939 8.062 ( 21.487 0.000 0.819) 21.502 19.109 ( -0.636 -0.000 -0.075) 0.640 19.839 ( -0.411 -0.000 -0.107) 0.425 37.475 ( 1.308 0.000 1.730) 2.169 60.279 ( 3.604 0.000 -0.278) 3.614 ======================= Grid point 494 (230/413) ======================= q-point: (-0.08 -0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -7.768 -3.590 29.640) 30.850 1.340 ( -18.947 -18.317 8.915) 27.821 2.491 ( -41.327 -7.722 16.295) 45.089 2.837 ( -11.997 -6.452 -4.433) 14.325 3.244 ( -4.775 -4.638 -6.136) 9.053 4.246 ( 0.638 2.142 -25.283) 25.381 5.093 ( -0.297 0.938 1.490) 1.786 5.259 ( -1.715 4.475 2.487) 5.399 5.391 ( -2.215 -1.138 2.661) 3.645 5.896 ( -1.814 -2.252 0.020) 2.891 8.256 ( 10.971 3.180 -9.719) 14.998 19.106 ( -0.325 -0.705 -0.196) 0.800 19.828 ( -0.854 0.201 -0.449) 0.985 37.491 ( 0.216 0.016 0.386) 0.442 60.382 ( 12.057 4.097 18.340) 22.327 ======================= Grid point 507 (231/413) ======================= q-point: (-0.08 -0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -20.615 -0.000 11.507) 23.609 1.072 ( 4.550 0.000 39.664) 39.924 1.957 ( -40.405 -0.000 23.291) 46.637 2.618 ( -9.135 -0.000 -6.022) 10.942 3.155 ( -1.800 -0.000 -5.008) 5.322 4.261 ( 13.539 0.000 -11.589) 17.822 5.098 ( -1.565 -0.000 2.585) 3.022 5.315 ( 2.692 0.000 3.889) 4.730 5.357 ( -1.435 -0.000 1.020) 1.761 5.860 ( -1.323 -0.000 -0.254) 1.347 8.224 ( -9.784 -0.000 -25.898) 27.684 19.095 ( -0.363 -0.000 -0.102) 0.377 19.812 ( -1.261 -0.000 -0.632) 1.411 37.486 ( -0.553 -0.000 -0.389) 0.677 60.869 ( 38.146 0.000 36.693) 52.929 ======================= Grid point 508 (232/413) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -6.687 -0.000 14.279) 15.767 1.417 ( -19.478 -0.000 22.654) 29.877 2.291 ( 1.754 0.000 -8.434) 8.614 2.460 ( 15.260 0.000 -3.448) 15.644 3.515 ( 16.030 0.000 26.932) 31.341 4.227 ( -7.320 -0.000 -13.529) 15.383 5.303 ( 12.908 0.000 -3.140) 13.285 5.384 ( 0.317 0.000 1.404) 1.439 5.653 ( 7.815 0.000 9.773) 12.514 5.823 ( -0.274 -0.000 -0.558) 0.621 6.774 ( -26.487 -0.000 -20.228) 33.328 19.086 ( -0.002 -0.000 -0.106) 0.106 19.794 ( -0.046 -0.000 0.248) 0.252 37.507 ( 1.092 0.000 0.338) 1.143 62.304 ( 14.395 0.000 0.065) 14.396 ======================= Grid point 509 (233/413) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 2.035 -24.733 12.042) 27.584 1.419 ( -3.198 -7.248 21.073) 22.512 2.377 ( 6.959 -8.483 -7.778) 13.450 2.742 ( 21.373 -9.302 -8.136) 24.689 3.859 ( 16.575 1.233 27.145) 31.829 3.968 ( -13.167 6.150 -12.725) 19.317 5.305 ( 2.630 8.556 -2.661) 9.339 5.475 ( 6.813 -1.228 -6.907) 9.779 5.615 ( -0.920 9.177 4.546) 10.283 6.033 ( 6.002 -16.145 6.058) 18.259 6.432 ( -19.749 -6.779 -14.526) 25.436 19.091 ( 0.172 -0.530 -0.114) 0.568 19.798 ( 0.275 -0.123 0.221) 0.374 37.517 ( 0.897 0.612 0.252) 1.115 62.285 ( -1.345 12.845 -3.846) 13.476 ======================= Grid point 510 (234/413) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 5.514 -15.550 14.141) 21.730 1.693 ( 10.321 -26.027 10.211) 29.802 2.602 ( 10.017 -11.704 -6.335) 16.657 3.164 ( 19.765 -14.626 -9.827) 26.479 3.643 ( -10.201 7.819 -11.258) 17.086 4.153 ( 12.242 0.907 23.072) 26.134 5.173 ( -1.090 8.342 -6.460) 10.607 5.405 ( -0.817 9.642 -3.442) 10.270 5.594 ( 0.272 -2.027 -2.522) 3.247 6.282 ( -12.339 -10.638 -11.877) 20.162 6.365 ( 6.502 -13.946 9.635) 18.155 19.103 ( 0.238 -0.819 -0.106) 0.859 19.806 ( 0.455 -0.198 0.189) 0.531 37.521 ( 0.881 0.750 0.504) 1.262 61.942 ( -11.856 20.372 -3.874) 23.887 ======================= Grid point 511 (235/413) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 13.864 -11.314 11.331) 21.180 2.240 ( 8.390 -29.038 5.529) 30.727 2.881 ( 10.666 -11.648 -3.923) 16.273 3.219 ( -11.847 5.929 -11.070) 17.263 3.662 ( 13.681 -9.192 -10.351) 19.463 4.402 ( 12.351 -4.297 11.848) 17.646 5.040 ( -1.783 3.414 -3.400) 5.137 5.234 ( -2.832 10.182 -1.390) 10.659 5.585 ( -2.325 -1.580 -5.476) 6.155 6.248 ( -5.772 -7.257 -6.248) 11.181 6.657 ( 3.710 -12.625 8.142) 15.474 19.117 ( 0.179 -0.839 -0.082) 0.862 19.817 ( 0.510 -0.216 0.184) 0.584 37.527 ( 1.012 0.643 0.605) 1.344 61.431 ( -16.634 22.874 -4.019) 28.567 ======================= Grid point 512 (236/413) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 14.522 -8.981 6.637) 18.319 2.710 ( 0.685 -22.983 0.612) 23.001 2.898 ( -6.763 5.492 -4.534) 9.821 3.175 ( 9.173 -10.467 -2.686) 14.175 3.796 ( 3.223 -2.870 -15.479) 16.069 4.716 ( 13.710 -8.920 -3.090) 16.645 5.004 ( -6.226 1.640 2.994) 7.100 5.083 ( 3.257 4.913 6.677) 8.907 5.550 ( -2.390 -2.962 -5.949) 7.062 6.246 ( -2.437 -3.227 -2.045) 4.532 6.865 ( 0.788 -8.760 5.500) 10.373 19.128 ( 0.069 -0.677 -0.056) 0.683 19.827 ( 0.453 -0.186 0.196) 0.527 37.532 ( 0.785 0.834 0.317) 1.189 60.882 ( -16.821 21.338 -4.349) 27.517 ======================= Grid point 513 (237/413) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -13.867 6.359 -5.357) 16.169 2.831 ( 10.476 -9.481 3.887) 14.655 3.150 ( 7.941 -16.028 1.288) 17.934 3.396 ( 6.869 -6.024 0.187) 9.138 3.761 ( -0.067 -3.064 -19.945) 20.179 4.820 ( 0.934 9.913 -2.714) 10.320 4.878 ( -4.881 -4.995 -3.887) 7.992 5.256 ( 4.952 -5.960 12.714) 14.889 5.566 ( -0.371 -3.045 -1.635) 3.476 6.290 ( 3.989 -4.964 0.659) 6.402 6.956 ( -2.202 -3.638 1.399) 4.477 19.136 ( 0.002 -0.454 -0.028) 0.454 19.835 ( 0.308 -0.130 0.208) 0.394 37.525 ( 0.219 1.294 -0.130) 1.319 60.398 ( -13.630 16.504 -3.933) 21.763 ======================= Grid point 514 (238/413) ======================= q-point: (-0.54 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -14.529 6.052 1.205) 15.785 3.094 ( 8.569 -6.525 1.827) 10.924 3.400 ( 4.778 -6.587 -3.891) 9.020 3.498 ( 3.832 0.117 -1.634) 4.168 3.735 ( -0.264 -6.193 -16.521) 17.645 4.703 ( -2.701 1.972 0.059) 3.345 4.821 ( -4.487 1.719 -5.365) 7.202 5.412 ( -0.898 -5.437 6.720) 8.691 5.524 ( -4.097 5.629 7.296) 10.085 6.520 ( 10.864 -9.895 1.463) 14.768 6.932 ( -2.860 -0.548 -3.140) 4.283 19.141 ( -0.000 -0.218 -0.017) 0.219 19.840 ( 0.112 -0.071 0.204) 0.243 37.504 ( -0.113 1.460 -0.252) 1.486 60.058 ( -8.456 9.479 -2.253) 12.901 ======================= Grid point 515 (239/413) ======================= q-point: (-0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -11.799 5.742 10.806) 16.999 3.223 ( 2.688 -0.925 -1.549) 3.238 3.327 ( -6.071 11.586 2.845) 13.386 3.568 ( 6.980 -5.296 -23.014) 24.626 3.763 ( -0.844 -4.752 -4.843) 6.837 4.649 ( -12.373 1.747 -1.251) 12.558 4.725 ( 4.538 0.678 -0.659) 4.636 5.311 ( -9.164 6.012 5.089) 12.084 5.552 ( -0.087 -2.147 9.141) 9.391 6.613 ( -4.087 6.162 -1.156) 7.484 7.052 ( 11.552 -13.210 -3.985) 17.995 19.142 ( 0.029 0.041 -0.052) 0.072 19.841 ( -0.112 -0.018 0.173) 0.207 37.486 ( 0.125 0.980 0.135) 0.998 59.904 ( -2.658 1.886 0.978) 3.403 ======================= Grid point 516 (240/413) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -7.936 6.273 21.361) 23.635 3.016 ( -10.831 17.987 3.249) 21.246 3.200 ( -0.906 4.260 -3.058) 5.321 3.583 ( 1.915 -5.062 -27.990) 28.508 3.752 ( -2.396 1.296 -5.603) 6.230 4.362 ( -16.506 12.427 6.590) 21.686 4.829 ( 4.450 -5.186 0.358) 6.843 5.178 ( -3.649 3.301 4.357) 6.572 5.581 ( -3.431 -0.515 5.134) 6.196 6.398 ( -6.909 10.208 -2.418) 12.561 7.395 ( 12.504 -13.952 -5.120) 19.422 19.140 ( 0.059 0.323 -0.134) 0.355 19.839 ( -0.353 0.024 0.108) 0.370 37.484 ( 0.469 0.217 0.590) 0.784 59.943 ( 3.101 -4.712 6.263) 8.429 ======================= Grid point 517 (241/413) ======================= q-point: (-0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -2.412 6.772 30.868) 31.694 2.601 ( -13.366 21.723 5.291) 26.049 3.083 ( -2.317 7.046 -3.987) 8.421 3.481 ( -8.181 5.470 -14.134) 17.223 3.612 ( -3.567 -0.641 -19.400) 19.736 3.978 ( -16.516 16.052 11.450) 25.720 4.963 ( 3.587 -5.555 1.029) 6.692 5.160 ( 2.498 1.257 3.228) 4.271 5.526 ( -5.261 1.444 1.076) 5.561 6.180 ( -4.725 8.672 -0.284) 9.880 7.679 ( 8.456 -11.281 -9.921) 17.239 19.133 ( 0.057 0.608 -0.252) 0.660 19.832 ( -0.602 0.063 0.012) 0.606 37.493 ( 0.177 -0.160 0.552) 0.601 60.170 ( 9.526 -9.735 13.988) 19.524 ======================= Grid point 518 (242/413) ======================= q-point: (-0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 3.277 7.360 34.951) 35.867 2.136 ( -13.581 23.821 7.246) 28.362 2.901 ( -7.458 10.877 -2.719) 13.466 3.076 ( -19.371 12.547 -5.625) 23.755 3.545 ( -8.701 12.562 12.284) 19.606 3.670 ( 2.142 -3.063 -19.251) 19.610 5.072 ( 2.059 -3.711 2.017) 4.699 5.226 ( 5.941 0.046 3.434) 6.863 5.437 ( -4.217 1.102 -1.720) 4.685 6.038 ( -1.949 6.594 1.590) 7.057 7.804 ( 0.320 -6.637 -17.980) 19.169 19.122 ( -0.031 0.857 -0.358) 0.929 19.821 ( -0.801 0.119 -0.061) 0.812 37.493 ( -0.609 -0.035 0.252) 0.660 60.594 ( 18.211 -13.904 22.198) 31.901 ======================= Grid point 519 (243/413) ======================= q-point: (-0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -13.392 24.329 10.381) 29.648 1.918 ( 1.970 10.448 27.055) 29.069 2.487 ( -22.742 10.685 5.642) 25.752 2.745 ( -5.471 14.527 -4.631) 16.199 3.265 ( -5.491 10.774 7.078) 14.011 3.884 ( 13.899 -12.748 -6.133) 19.832 5.129 ( 0.645 -0.706 1.759) 2.002 5.328 ( 5.054 -1.036 3.007) 5.972 5.394 ( 0.247 -0.619 -0.895) 1.116 5.951 ( 0.153 6.045 1.753) 6.296 7.674 ( -12.412 -0.044 -25.680) 28.523 19.107 ( -0.172 0.923 -0.335) 0.997 19.808 ( -0.795 0.168 0.002) 0.813 37.485 ( -0.592 -0.050 0.440) 0.739 61.219 ( 27.440 -16.756 23.455) 39.798 ======================= Grid point 520 (244/413) ======================= q-point: (-0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -11.398 20.878 11.485) 26.414 1.704 ( -24.062 9.926 19.826) 32.720 2.316 ( 2.730 2.337 5.062) 6.208 2.456 ( -1.791 13.782 -5.683) 15.015 3.252 ( 8.016 2.428 17.819) 19.689 4.199 ( 8.067 -11.041 -7.331) 15.515 5.160 ( 5.003 -0.357 0.566) 5.047 5.376 ( 1.053 -0.286 0.246) 1.118 5.483 ( 6.182 -2.846 5.560) 8.788 5.884 ( 1.135 6.489 1.169) 6.690 7.268 ( -24.290 4.153 -26.100) 35.895 19.092 ( -0.173 0.597 -0.180) 0.647 19.798 ( -0.478 0.127 0.171) 0.524 37.490 ( 0.531 -0.324 0.656) 0.904 61.897 ( 27.589 -12.761 12.305) 32.794 ======================= Grid point 522 (245/413) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 7.859 0.000 13.627) 15.731 1.552 ( 14.080 0.000 18.498) 23.247 2.415 ( 12.373 0.000 -7.412) 14.423 2.942 ( 23.252 0.000 -10.111) 25.356 3.746 ( -15.315 -0.000 -12.574) 19.816 4.199 ( 14.061 0.000 24.324) 28.096 5.420 ( 1.594 0.000 0.838) 1.801 5.467 ( 5.104 0.000 -16.541) 17.311 5.706 ( -13.643 -0.000 -7.602) 15.618 5.830 ( 1.075 0.000 -0.255) 1.104 6.252 ( -1.019 -0.000 8.760) 8.819 19.091 ( 0.387 0.000 -0.077) 0.395 19.804 ( 0.509 0.000 0.184) 0.541 37.533 ( 0.792 0.000 -0.032) 0.793 62.237 ( -13.644 -0.000 -7.680) 15.657 ======================= Grid point 523 (246/413) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 9.882 -18.815 10.395) 23.658 1.902 ( 22.028 -3.732 13.750) 26.234 2.617 ( 15.059 -6.236 -5.950) 17.351 3.200 ( 9.605 -4.714 -11.475) 15.690 3.519 ( -4.120 -0.458 -10.641) 11.420 4.435 ( 9.814 3.066 18.651) 21.297 5.223 ( -5.098 10.819 -17.287) 21.021 5.467 ( -3.866 3.489 -4.339) 6.778 5.545 ( 0.347 -2.447 -5.445) 5.980 5.926 ( -2.792 -11.308 -4.519) 12.493 6.381 ( 2.652 -6.392 16.942) 18.301 19.099 ( 0.504 -0.366 -0.066) 0.626 19.813 ( 0.635 -0.070 0.173) 0.661 37.541 ( 0.883 0.336 0.022) 0.945 61.897 ( -20.469 9.701 -8.197) 24.089 ======================= Grid point 524 (247/413) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 8.966 -23.695 7.322) 26.371 2.319 ( 21.831 -5.614 8.139) 23.966 2.902 ( 15.324 -8.180 -3.313) 17.684 3.056 ( -14.015 3.394 -9.656) 17.355 3.657 ( 10.263 -7.453 -12.116) 17.541 4.563 ( 8.999 0.978 1.173) 9.128 5.019 ( -3.203 1.835 -3.489) 5.080 5.343 ( -1.250 8.000 -0.958) 8.153 5.517 ( -1.191 1.240 -7.326) 7.525 6.032 ( -1.686 -11.108 -3.087) 11.652 6.590 ( -0.260 -9.999 15.285) 18.267 19.112 ( 0.490 -0.487 -0.057) 0.693 19.823 ( 0.635 -0.079 0.184) 0.666 37.548 ( 0.880 0.399 -0.013) 0.967 61.399 ( -22.119 15.074 -8.048) 27.951 ======================= Grid point 525 (248/413) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 6.754 -22.396 5.274) 23.980 2.554 ( -4.278 1.220 -3.918) 5.928 2.903 ( 8.335 -2.248 1.234) 8.720 3.201 ( 14.151 -7.436 -0.192) 15.987 3.718 ( 1.725 -1.643 -19.463) 19.609 4.695 ( 4.479 -6.854 -9.621) 12.634 5.029 ( 2.194 1.130 8.841) 9.179 5.231 ( 2.618 7.519 2.565) 8.365 5.461 ( -1.194 -1.674 -5.396) 5.775 6.136 ( -0.995 -7.944 -0.314) 8.012 6.758 ( -3.772 -9.756 10.269) 14.658 19.124 ( 0.413 -0.421 -0.039) 0.591 19.833 ( 0.515 -0.041 0.196) 0.553 37.550 ( 0.378 0.587 -0.362) 0.786 60.864 ( -19.879 16.355 -7.364) 26.774 ======================= Grid point 526 (249/413) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -15.962 4.465 -0.239) 16.576 2.771 ( 7.515 -17.170 3.834) 19.131 3.173 ( 14.971 -6.648 -2.213) 16.530 3.459 ( 11.247 -3.664 1.824) 11.968 3.652 ( 2.496 -0.542 -20.751) 20.908 4.697 ( -8.506 -2.672 -3.190) 9.469 5.001 ( 4.658 9.715 -3.784) 11.419 5.288 ( 1.993 -2.633 8.514) 9.131 5.518 ( 2.017 -5.203 1.947) 5.910 6.248 ( 2.875 -8.526 1.845) 9.185 6.835 ( -6.734 -7.096 4.012) 10.574 19.134 ( 0.364 -0.274 -0.007) 0.456 19.839 ( 0.317 0.015 0.197) 0.373 37.537 ( -0.382 0.886 -0.801) 1.254 60.391 ( -15.065 13.997 -5.628) 21.320 ======================= Grid point 527 (250/413) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -11.149 5.070 9.695) 15.620 3.068 ( 5.302 -11.483 2.532) 12.899 3.391 ( 9.218 -5.308 -11.336) 15.545 3.520 ( 1.229 1.613 -14.448) 14.590 3.698 ( 8.544 0.555 1.373) 8.672 4.586 ( -8.912 -1.765 -0.921) 9.132 4.915 ( 4.764 8.847 -3.767) 10.731 5.351 ( -3.783 -2.165 5.584) 7.084 5.572 ( -1.391 1.259 8.386) 8.594 6.489 ( 7.264 -13.362 1.772) 15.312 6.814 ( -7.591 -4.714 -1.585) 9.075 19.141 ( 0.363 -0.094 0.011) 0.375 19.842 ( 0.088 0.073 0.182) 0.215 37.513 ( -0.752 0.856 -0.888) 1.445 60.055 ( -8.939 8.791 -2.610) 12.806 ======================= Grid point 528 (251/413) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -5.072 6.278 20.012) 21.578 3.234 ( 3.074 -3.447 0.607) 4.659 3.379 ( -6.985 7.526 -5.449) 11.624 3.457 ( 4.679 -3.069 -22.300) 22.992 3.776 ( 4.853 2.636 0.711) 5.568 4.511 ( -6.480 -1.056 -1.239) 6.682 4.875 ( 7.432 7.496 0.519) 10.568 5.279 ( -8.029 2.861 6.755) 10.876 5.576 ( -1.337 0.882 7.597) 7.764 6.580 ( -7.652 1.761 -2.421) 8.217 6.940 ( 5.962 -18.081 -1.995) 19.143 19.146 ( 0.376 0.127 -0.022) 0.397 19.841 ( -0.145 0.135 0.152) 0.250 37.492 ( -0.527 0.310 -0.503) 0.791 59.902 ( -2.506 1.950 1.831) 3.666 ======================= Grid point 529 (252/413) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.993 7.801 28.437) 29.505 3.080 ( -13.398 13.638 1.115) 19.150 3.258 ( 1.048 4.080 -0.463) 4.238 3.438 ( 3.054 -3.298 -24.497) 24.906 3.737 ( -1.409 5.841 -6.267) 8.682 4.357 ( -10.485 9.418 4.625) 14.833 4.919 ( 8.737 3.405 2.533) 9.713 5.207 ( -0.694 1.827 5.717) 6.042 5.557 ( -3.937 1.004 3.904) 5.635 6.391 ( -8.330 5.719 -3.227) 10.607 7.263 ( 4.742 -18.751 -3.973) 19.745 19.147 ( 0.369 0.386 -0.118) 0.547 19.836 ( -0.367 0.208 0.114) 0.436 37.486 ( -0.251 -0.301 -0.047) 0.395 59.955 ( 3.808 -5.318 7.881) 10.242 ======================= Grid point 530 (253/413) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 6.898 8.558 33.234) 35.004 2.683 ( -17.341 16.464 6.317) 24.732 3.175 ( 1.555 9.014 -2.744) 9.550 3.434 ( 4.127 -3.527 -17.714) 18.527 3.500 ( -8.241 12.896 -12.142) 19.535 4.046 ( -13.720 16.080 10.448) 23.579 5.016 ( 7.656 0.379 1.161) 7.753 5.252 ( 5.992 1.293 4.104) 7.377 5.481 ( -5.287 1.856 0.053) 5.604 6.215 ( -4.629 5.644 -0.363) 7.308 7.502 ( -0.225 -15.439 -8.995) 17.869 19.144 ( 0.305 0.674 -0.263) 0.785 19.827 ( -0.538 0.287 0.086) 0.616 37.488 ( -0.467 -0.394 0.135) 0.626 60.220 ( 10.235 -12.519 14.986) 22.047 ======================= Grid point 531 (254/413) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 5.194 11.825 30.296) 32.934 2.260 ( -12.679 15.411 10.842) 22.712 2.979 ( -8.967 20.552 -3.524) 22.698 3.121 ( -0.159 15.037 -6.567) 16.409 3.543 ( 6.274 -10.453 -13.166) 17.944 3.685 ( -11.344 17.709 11.906) 24.167 5.109 ( 4.802 -0.485 0.868) 4.904 5.331 ( 4.662 1.067 -0.540) 4.813 5.401 ( -0.514 1.472 0.575) 1.662 6.117 ( -0.154 5.310 2.838) 6.023 7.564 ( -7.737 -8.746 -15.997) 19.806 19.134 ( 0.147 0.971 -0.395) 1.059 19.815 ( -0.576 0.355 0.107) 0.685 37.483 ( -0.766 -0.119 0.336) 0.845 60.699 ( 16.468 -19.766 20.034) 32.607 ======================= Grid point 532 (255/413) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -15.989 18.855 14.821) 28.824 2.227 ( -1.978 21.997 14.707) 26.535 2.529 ( -1.790 16.627 1.777) 16.817 2.949 ( 4.514 18.040 -4.169) 19.058 3.412 ( -0.417 9.995 10.128) 14.235 3.796 ( 5.729 -14.455 -0.984) 15.580 5.148 ( 0.264 -0.522 0.007) 0.585 5.341 ( 2.042 -2.036 -5.363) 6.090 5.456 ( 6.108 1.469 4.132) 7.519 6.081 ( 3.714 6.504 4.832) 8.913 7.370 ( -16.491 0.960 -21.404) 27.038 19.118 ( -0.023 1.153 -0.389) 1.217 19.804 ( -0.394 0.359 0.187) 0.565 37.480 ( -0.264 -0.260 0.783) 0.866 61.339 ( 18.958 -25.232 17.315) 35.998 ======================= Grid point 533 (256/413) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -7.170 19.552 16.162) 26.361 1.736 ( -14.501 28.119 10.906) 33.465 2.467 ( 6.287 9.475 -3.711) 11.962 2.737 ( 11.463 19.871 -5.213) 23.525 3.523 ( 13.238 0.447 22.532) 26.137 4.002 ( -3.872 -13.143 -5.698) 14.839 5.183 ( 2.110 -4.465 -1.378) 5.127 5.400 ( 3.934 -3.317 -4.121) 6.592 5.529 ( 3.613 -0.056 3.777) 5.227 6.072 ( 6.564 9.208 6.519) 13.052 6.935 ( -22.102 9.094 -21.289) 32.007 19.101 ( -0.018 1.001 -0.235) 1.028 19.798 ( -0.053 0.264 0.241) 0.362 37.494 ( 0.646 -0.749 0.787) 1.264 61.953 ( 12.316 -23.433 6.264) 27.204 ======================= Grid point 536 (257/413) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 13.090 0.000 10.114) 16.542 2.248 ( 24.209 0.000 9.269) 25.922 2.775 ( 18.003 0.000 -4.922) 18.664 3.096 ( -11.924 -0.000 -10.065) 15.604 3.529 ( 11.552 0.000 -9.742) 15.111 4.624 ( 5.198 0.000 6.451) 8.285 5.083 ( -8.458 -0.000 -19.794) 21.525 5.478 ( -0.407 -0.000 -7.101) 7.113 5.480 ( 2.491 0.000 0.098) 2.493 5.871 ( 1.872 0.000 0.127) 1.876 6.421 ( -2.239 -0.000 20.590) 20.711 19.105 ( 0.684 0.000 -0.048) 0.686 19.822 ( 0.708 0.000 0.178) 0.730 37.554 ( 0.795 0.000 -0.299) 0.850 61.615 ( -24.277 -0.000 -9.885) 26.212 ======================= Grid point 537 (258/413) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 12.010 -12.767 7.981) 19.260 2.547 ( 9.555 -0.599 -0.387) 9.582 2.907 ( -3.397 1.012 -1.814) 3.981 3.033 ( 18.196 -4.175 -2.448) 18.828 3.636 ( 6.380 -3.056 -13.075) 14.866 4.618 ( 2.433 0.505 -17.644) 17.818 5.020 ( 1.688 -0.314 9.546) 9.699 5.397 ( 0.044 4.357 -3.816) 5.792 5.526 ( 2.082 1.290 -5.661) 6.168 5.920 ( 1.170 -4.308 1.201) 4.623 6.505 ( -6.536 -7.098 19.031) 21.338 19.115 ( 0.726 -0.169 -0.040) 0.746 19.832 ( 0.646 -0.001 0.183) 0.671 37.559 ( 0.366 0.126 -0.659) 0.764 61.196 ( -23.704 6.864 -10.026) 26.636 ======================= Grid point 538 (259/413) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 5.787 -15.156 5.936) 17.275 2.445 ( -10.219 0.288 -1.260) 10.301 3.056 ( 16.252 -2.131 -1.789) 16.489 3.332 ( 16.735 -5.149 0.242) 17.510 3.652 ( 4.842 -0.181 -17.041) 17.717 4.593 ( -1.183 -3.820 -11.839) 12.496 5.136 ( 4.837 -0.057 12.462) 13.368 5.345 ( 2.414 3.292 -2.501) 4.788 5.464 ( 1.491 5.212 -3.151) 6.270 6.025 ( 0.538 -7.821 1.862) 8.058 6.590 ( -9.378 -9.828 13.076) 18.855 19.127 ( 0.684 -0.176 -0.022) 0.706 19.840 ( 0.474 0.045 0.175) 0.507 37.552 ( -0.476 0.252 -1.157) 1.277 60.739 ( -20.056 10.314 -8.847) 24.226 ======================= Grid point 539 (260/413) ======================= q-point: ( 0.38 0.15 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -10.137 3.309 9.233) 14.105 2.655 ( 7.616 -16.992 4.451) 19.145 3.258 ( 11.151 -3.985 -12.016) 16.870 3.541 ( 8.783 -0.622 -10.978) 14.073 3.714 ( 14.216 0.451 -1.168) 14.271 4.538 ( -8.277 -2.388 -3.115) 9.161 5.161 ( 1.533 7.341 1.703) 7.691 5.334 ( 2.561 2.806 1.136) 3.965 5.507 ( 3.341 -4.181 5.505) 7.678 6.164 ( 2.082 -9.698 2.412) 10.208 6.627 ( -10.966 -9.175 5.839) 15.444 19.138 ( 0.637 -0.109 0.012) 0.647 19.845 ( 0.257 0.107 0.157) 0.319 37.529 ( -1.259 0.370 -1.557) 2.036 60.329 ( -14.636 10.262 -6.395) 18.984 ======================= Grid point 540 (261/413) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -2.537 5.099 19.499) 20.313 2.975 ( 5.357 -14.045 3.279) 15.385 3.343 ( 5.819 -4.052 -22.835) 23.910 3.549 ( 3.762 4.598 -8.298) 10.206 3.892 ( 11.400 3.730 5.110) 13.038 4.449 ( -6.723 -2.522 -0.450) 7.194 5.089 ( 4.532 7.363 -0.088) 8.646 5.323 ( -2.323 2.042 3.834) 4.926 5.597 ( -0.637 -0.880 7.486) 7.565 6.380 ( 3.519 -13.912 1.894) 14.475 6.601 ( -10.836 -7.579 0.062) 13.223 19.147 ( 0.606 -0.003 0.034) 0.607 19.846 ( 0.047 0.175 0.138) 0.228 37.499 ( -1.407 0.203 -1.498) 2.065 60.034 ( -8.468 6.998 -2.809) 11.339 ======================= Grid point 541 (262/413) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 4.101 7.070 26.818) 28.036 3.182 ( 1.491 -7.742 -2.873) 8.392 3.333 ( 2.798 0.441 -18.233) 18.452 3.429 ( -5.009 5.445 -4.639) 8.733 3.928 ( 4.214 8.304 2.626) 9.675 4.439 ( -0.463 -1.873 -2.478) 3.140 5.101 ( 10.155 6.711 1.713) 12.292 5.252 ( -5.386 2.593 6.876) 9.111 5.592 ( -3.407 1.367 5.331) 6.472 6.443 ( -9.745 -2.226 -3.482) 10.585 6.727 ( 1.372 -19.296 1.064) 19.374 19.154 ( 0.561 0.152 0.007) 0.581 19.843 ( -0.138 0.259 0.124) 0.319 37.478 ( -0.940 -0.285 -0.960) 1.373 59.902 ( -2.292 1.232 1.843) 3.188 ======================= Grid point 542 (263/413) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 8.989 8.546 30.312) 32.752 3.044 ( -14.993 9.799 -0.235) 17.913 3.305 ( 2.160 -1.098 -10.010) 10.299 3.357 ( 2.741 0.558 -9.019) 9.442 3.828 ( 0.136 10.446 -2.493) 10.740 4.381 ( -3.937 7.113 -0.749) 8.164 5.122 ( 5.325 7.367 4.400) 10.099 5.270 ( 6.455 -0.346 4.798) 8.050 5.526 ( -5.717 1.504 1.919) 6.215 6.305 ( -8.381 0.615 -3.940) 9.281 7.009 ( -0.716 -20.000 -0.843) 20.031 19.158 ( 0.474 0.358 -0.076) 0.599 19.836 ( -0.284 0.362 0.119) 0.476 37.473 ( -0.473 -0.649 -0.323) 0.866 59.962 ( 3.392 -6.153 7.390) 10.197 ======================= Grid point 543 (264/413) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 12.030 8.680 29.091) 32.655 2.666 ( -19.232 13.689 8.326) 25.031 3.313 ( 3.221 -4.947 -17.472) 18.443 3.332 ( 4.672 7.713 -1.755) 9.187 3.625 ( -1.238 15.746 -5.412) 16.696 4.144 ( -8.711 15.128 5.874) 18.419 5.131 ( 3.596 2.617 1.573) 4.718 5.377 ( 4.350 2.000 -1.177) 4.930 5.447 ( 0.064 1.286 2.470) 2.786 6.201 ( -3.559 0.604 -1.000) 3.746 7.212 ( -4.670 -16.480 -5.070) 17.864 19.156 ( 0.327 0.617 -0.191) 0.724 19.827 ( -0.350 0.460 0.137) 0.594 37.475 ( -0.415 -0.500 0.155) 0.668 60.225 ( 8.067 -14.447 12.763) 20.898 ======================= Grid point 544 (265/413) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -18.345 15.180 12.178) 26.745 2.584 ( 12.062 9.006 22.859) 27.370 3.177 ( -3.095 20.512 -5.475) 21.454 3.323 ( 7.873 7.966 -9.090) 14.424 3.454 ( 3.672 -0.320 -7.644) 8.486 3.865 ( -4.819 16.073 14.532) 22.197 5.132 ( -2.216 -0.260 -0.337) 2.257 5.322 ( -0.738 0.750 -6.600) 6.683 5.523 ( 8.190 2.929 3.031) 9.211 6.187 ( 1.715 0.727 2.952) 3.491 7.261 ( -9.209 -8.949 -10.669) 16.695 19.147 ( 0.128 0.920 -0.282) 0.970 19.816 ( -0.280 0.509 0.179) 0.608 37.476 ( -0.393 -0.150 0.620) 0.749 60.669 ( 10.410 -22.754 15.257) 29.307 ======================= Grid point 545 (266/413) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -12.580 15.617 15.587) 25.399 2.593 ( 0.571 24.209 8.773) 25.756 2.804 ( 4.233 19.040 -3.038) 19.740 3.281 ( 12.465 15.822 -4.853) 20.718 3.473 ( -0.486 -5.399 -6.731) 8.642 3.818 ( 5.940 4.925 20.272) 21.691 5.093 ( -4.117 -2.674 -2.418) 5.472 5.305 ( 0.413 -1.970 -5.575) 5.927 5.587 ( 5.991 2.967 0.694) 6.722 6.235 ( 5.001 2.419 6.134) 8.276 7.104 ( -12.808 1.766 -15.139) 19.909 19.132 ( -0.019 1.159 -0.276) 1.192 19.808 ( -0.067 0.469 0.219) 0.522 37.479 ( 0.077 -0.267 1.051) 1.087 61.213 ( 7.886 -28.541 11.936) 31.926 ======================= Grid point 546 (267/413) ======================= q-point: (-0.08 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -1.254 13.644 17.701) 22.384 2.131 ( -2.378 36.088 3.912) 36.377 2.693 ( 7.078 13.179 -4.860) 15.729 3.188 ( 17.163 19.917 -7.253) 27.274 3.600 ( -0.646 -13.571 -4.139) 14.203 3.945 ( 7.094 3.733 20.705) 22.202 5.104 ( -0.823 -5.937 -3.544) 6.964 5.328 ( -1.256 -5.664 -3.538) 6.795 5.610 ( 3.163 2.410 -1.334) 4.195 6.297 ( 5.553 4.154 8.646) 11.084 6.754 ( -13.165 12.698 -16.265) 24.477 19.115 ( 0.020 1.141 -0.186) 1.156 19.805 ( 0.207 0.348 0.217) 0.459 37.496 ( 0.663 -0.719 1.008) 1.404 61.694 ( -0.688 -27.966 3.836) 28.236 ======================= Grid point 550 (268/413) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 12.332 0.000 7.193) 14.276 2.466 ( -13.195 -0.000 -1.967) 13.341 3.039 ( 15.228 0.000 -0.793) 15.248 3.240 ( 18.623 0.000 -2.411) 18.779 3.644 ( 7.227 0.000 -12.312) 14.276 4.540 ( -0.372 -0.000 -17.437) 17.441 5.128 ( 5.135 0.000 15.021) 15.874 5.413 ( 1.291 0.000 -8.858) 8.951 5.553 ( 3.054 0.000 -0.387) 3.078 5.924 ( 1.794 0.000 0.354) 1.828 6.415 ( -11.956 -0.000 19.644) 22.996 19.125 ( 0.813 0.000 -0.034) 0.814 19.841 ( 0.531 0.000 0.164) 0.556 37.555 ( -0.494 -0.000 -1.283) 1.375 60.887 ( -21.939 -0.000 -10.183) 24.187 ======================= Grid point 551 (269/413) ======================= q-point: ( 0.31 0.23 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 6.147 -4.818 7.010) 10.495 2.328 ( -5.275 -3.071 6.905) 9.216 3.187 ( 10.202 -1.194 -12.567) 16.231 3.488 ( 16.155 -2.113 -2.780) 16.528 3.731 ( 13.542 0.534 -8.211) 15.845 4.468 ( -5.039 -1.924 -6.071) 8.121 5.257 ( 3.246 1.025 12.512) 12.967 5.390 ( 3.581 0.787 -4.962) 6.170 5.560 ( 2.539 4.827 -1.181) 5.581 5.969 ( 1.340 -3.585 1.843) 4.248 6.375 ( -13.412 -7.527 13.867) 20.708 19.136 ( 0.790 -0.044 -0.024) 0.791 19.847 ( 0.343 0.051 0.128) 0.370 37.534 ( -1.395 0.058 -1.796) 2.275 60.542 ( -18.036 4.507 -8.821) 20.577 ======================= Grid point 552 (270/413) ======================= q-point: ( 0.38 0.23 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -0.463 3.193 18.030) 18.316 2.565 ( 7.670 -14.263 5.263) 17.028 3.249 ( 6.937 -2.573 -20.377) 21.679 3.647 ( 10.460 2.554 -7.747) 13.265 3.912 ( 14.790 -2.066 -3.006) 15.233 4.394 ( -8.500 -1.293 4.750) 9.823 5.244 ( -2.272 4.439 3.994) 6.389 5.448 ( 5.472 4.083 -0.743) 6.868 5.538 ( 1.854 0.112 5.257) 5.576 6.077 ( 1.680 -7.958 2.311) 8.456 6.366 ( -12.484 -9.364 6.153) 16.775 19.146 ( 0.728 -0.035 0.003) 0.729 19.850 ( 0.156 0.121 0.096) 0.220 37.503 ( -1.813 0.056 -1.965) 2.674 60.225 ( -13.041 6.073 -6.320) 15.713 ======================= Grid point 553 (271/413) ======================= q-point: ( 0.46 0.23 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 6.352 4.793 25.309) 26.530 2.871 ( 5.608 -14.014 2.919) 15.374 3.267 ( 5.565 -2.537 -22.774) 23.581 3.612 ( -1.631 6.128 -7.482) 9.808 4.104 ( 11.084 1.601 1.114) 11.254 4.342 ( -4.548 -2.575 4.652) 6.997 5.190 ( 0.174 2.131 3.907) 4.454 5.415 ( 3.852 7.802 0.240) 8.704 5.592 ( -2.418 -1.660 5.983) 6.663 6.242 ( 0.648 -11.231 1.262) 11.321 6.345 ( -10.336 -8.755 1.674) 13.649 19.156 ( 0.650 0.004 0.023) 0.651 19.849 ( 0.009 0.202 0.083) 0.219 37.472 ( -1.456 -0.141 -1.605) 2.172 59.991 ( -7.656 4.496 -2.993) 9.370 ======================= Grid point 554 (272/413) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 10.628 6.726 27.697) 30.419 3.078 ( 2.040 -7.202 -6.675) 10.029 3.285 ( 3.958 -4.208 -12.009) 13.327 3.404 ( -10.277 7.283 -1.964) 12.748 4.099 ( 0.449 9.405 3.177) 9.937 4.416 ( 5.062 -3.862 -4.855) 8.007 5.232 ( 1.726 -1.101 5.579) 5.943 5.366 ( 6.784 8.760 1.994) 11.258 5.556 ( -6.835 0.329 2.885) 7.426 6.249 ( -9.465 -4.407 -3.515) 11.016 6.493 ( -0.673 -16.748 3.619) 17.148 19.163 ( 0.534 0.093 0.007) 0.542 19.845 ( -0.102 0.305 0.087) 0.333 37.457 ( -0.635 -0.488 -0.864) 1.178 59.886 ( -2.459 0.045 0.997) 2.654 ======================= Grid point 555 (273/413) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 11.273 7.357 22.577) 26.286 2.974 ( -13.872 8.169 4.041) 16.598 3.234 ( 1.258 0.093 -14.794) 14.848 3.400 ( 4.602 -3.941 4.113) 7.324 3.961 ( -0.854 10.348 -0.921) 10.423 4.435 ( 1.443 5.305 -6.317) 8.375 5.234 ( -1.658 3.464 5.021) 6.321 5.432 ( 4.443 2.345 -0.743) 5.078 5.463 ( 0.400 0.540 2.745) 2.826 6.162 ( -7.455 -2.958 -4.062) 8.991 6.728 ( -2.386 -18.118 2.671) 18.468 19.167 ( 0.372 0.241 -0.043) 0.445 19.839 ( -0.171 0.425 0.106) 0.470 37.459 ( -0.012 -0.645 -0.131) 0.658 59.940 ( 1.868 -6.610 5.317) 8.687 ======================= Grid point 556 (274/413) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -14.331 11.333 6.774) 19.486 2.787 ( 5.913 6.053 17.116) 19.093 3.244 ( 5.585 -1.010 -8.249) 10.013 3.514 ( 8.710 3.749 3.950) 10.273 3.796 ( 0.402 12.614 -2.221) 12.814 4.271 ( -2.647 12.759 -1.123) 13.079 5.156 ( -6.557 1.945 0.713) 6.877 5.358 ( -1.934 1.400 -3.431) 4.180 5.593 ( 10.271 1.954 2.421) 10.732 6.122 ( -3.025 -4.562 -2.551) 6.040 6.921 ( -4.115 -15.287 -0.137) 15.831 19.166 ( 0.176 0.451 -0.100) 0.495 19.831 ( -0.171 0.523 0.139) 0.567 37.468 ( 0.126 -0.408 0.384) 0.574 60.159 ( 4.395 -14.515 8.918) 17.594 ======================= Grid point 557 (275/413) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -12.072 13.963 11.930) 21.978 2.872 ( 5.320 1.774 7.527) 9.387 3.275 ( 3.246 3.546 -6.271) 7.902 3.516 ( 4.179 15.627 1.644) 16.260 3.632 ( 7.991 12.088 -5.949) 15.664 4.111 ( 3.071 11.738 13.173) 17.909 5.037 ( -8.653 -1.147 -2.438) 9.063 5.308 ( -0.043 1.809 -4.795) 5.125 5.672 ( 5.891 3.172 0.428) 6.704 6.183 ( 1.458 -5.959 0.185) 6.138 7.012 ( -5.104 -8.169 -4.139) 10.484 19.159 ( -0.018 0.722 -0.135) 0.734 19.822 ( -0.071 0.554 0.176) 0.586 37.475 ( 0.129 -0.099 0.778) 0.795 60.512 ( 3.886 -22.209 10.003) 24.666 ======================= Grid point 558 (276/413) ======================= q-point: (-0.15 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -3.305 14.285 13.729) 20.087 2.907 ( 2.529 9.936 4.919) 11.372 3.101 ( 2.219 20.612 -3.958) 21.105 3.340 ( -3.222 1.183 -9.022) 9.652 3.623 ( 13.899 10.742 -5.500) 18.407 4.152 ( 11.233 10.428 20.784) 25.824 4.962 ( -5.433 -4.376 -3.136) 7.648 5.259 ( -2.050 0.460 -4.189) 4.687 5.679 ( 2.209 2.731 -1.967) 4.026 6.292 ( 2.185 -4.580 2.273) 5.560 6.964 ( -4.535 1.986 -7.004) 8.577 19.145 ( -0.128 0.971 -0.133) 0.988 19.816 ( 0.110 0.497 0.196) 0.545 37.484 ( 0.393 -0.181 1.065) 1.150 60.918 ( -0.640 -27.374 7.285) 28.334 ======================= Grid point 559 (277/413) ======================= q-point: (-0.08 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 7.655 12.415 13.952) 20.183 2.605 ( 1.073 31.873 2.300) 31.974 2.951 ( 6.783 12.663 -2.984) 14.672 3.296 ( -7.647 -8.599 -10.196) 15.374 3.641 ( 15.277 10.869 -7.588) 20.226 4.264 ( 12.617 9.477 17.550) 23.601 4.989 ( -0.746 -6.574 -2.326) 7.013 5.211 ( -4.799 -3.083 -2.571) 6.257 5.647 ( -0.155 2.012 -3.899) 4.390 6.353 ( -1.742 -1.475 0.709) 2.390 6.798 ( -0.619 11.770 -4.172) 12.503 19.129 ( -0.062 1.036 -0.109) 1.043 19.814 ( 0.320 0.370 0.192) 0.526 37.502 ( 0.801 -0.536 1.029) 1.409 61.259 ( -8.453 -27.683 1.721) 28.995 ======================= Grid point 564 (278/413) ======================= q-point: ( 0.31 0.31 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -0.608 -0.000 17.661) 17.672 2.307 ( 9.516 0.000 5.459) 10.971 3.213 ( 7.501 0.000 -19.571) 20.959 3.684 ( 15.311 0.000 -1.240) 15.361 3.861 ( 10.170 0.000 -13.615) 16.994 4.379 ( -5.848 -0.000 7.910) 9.837 5.320 ( -2.199 -0.000 4.121) 4.671 5.442 ( 5.007 0.000 3.466) 6.089 5.630 ( 3.007 0.000 -0.734) 3.095 5.970 ( 1.312 0.000 0.628) 1.455 6.194 ( -13.020 -0.000 11.259) 17.213 19.146 ( 0.762 0.000 -0.028) 0.763 19.852 ( 0.187 0.000 0.074) 0.202 37.503 ( -1.890 -0.000 -2.054) 2.791 60.314 ( -14.753 -0.000 -7.623) 16.606 ======================= Grid point 565 (279/413) ======================= q-point: ( 0.38 0.31 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 7.407 2.713 20.673) 22.127 2.532 ( 7.206 -8.921 7.966) 13.963 3.226 ( 7.778 -0.555 -22.008) 23.349 3.763 ( 1.350 5.633 -10.199) 11.729 3.957 ( 8.460 -8.295 -6.520) 13.524 4.376 ( -2.548 1.972 15.124) 15.464 5.263 ( -3.956 2.363 2.060) 5.047 5.524 ( 1.518 -1.082 6.078) 6.357 5.625 ( 2.606 5.197 -0.371) 5.826 6.020 ( 1.269 -4.548 1.299) 4.897 6.132 ( -9.292 -6.055 4.835) 12.099 19.155 ( 0.674 -0.019 -0.017) 0.674 19.853 ( 0.068 0.075 0.041) 0.109 37.470 ( -1.646 -0.029 -1.812) 2.448 60.095 ( -10.821 2.354 -5.657) 12.435 ======================= Grid point 566 (280/413) ======================= q-point: ( 0.46 0.31 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 11.520 2.529 24.682) 27.355 2.782 ( 5.121 -11.004 3.712) 12.692 3.229 ( 6.476 -0.077 -21.072) 22.045 3.578 ( -10.536 5.173 -5.416) 12.927 4.186 ( 10.191 -8.801 -4.183) 14.100 4.341 ( -4.363 5.014 9.510) 11.603 5.223 ( -0.004 0.517 3.741) 3.777 5.542 ( -4.949 -0.751 4.365) 6.642 5.580 ( 3.903 6.713 -0.279) 7.770 6.097 ( -5.218 -5.929 -1.002) 7.962 6.152 ( -1.672 -8.509 3.454) 9.334 19.164 ( 0.550 -0.022 -0.003) 0.550 19.852 ( -0.007 0.165 0.037) 0.169 37.448 ( -0.775 -0.172 -1.151) 1.398 59.926 ( -6.602 2.041 -3.168) 7.602 ======================= Grid point 567 (281/413) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 10.055 5.291 14.579) 18.484 2.995 ( 4.219 -8.972 3.018) 10.364 3.226 ( 0.039 -2.925 -5.208) 5.973 3.339 ( -8.674 5.785 -1.301) 10.508 4.210 ( -2.591 7.840 1.280) 8.355 4.411 ( 7.537 -6.725 -5.862) 11.679 5.261 ( 0.330 -0.660 4.329) 4.391 5.455 ( -8.578 0.296 0.938) 8.635 5.567 ( 6.769 5.511 1.082) 8.796 6.065 ( -6.989 -3.788 -2.258) 8.264 6.302 ( -0.778 -12.449 3.586) 12.978 19.170 ( 0.381 0.019 -0.009) 0.382 19.849 ( -0.055 0.277 0.054) 0.287 37.444 ( 0.178 -0.371 -0.381) 0.561 59.847 ( -2.590 -0.951 -0.281) 2.773 ======================= Grid point 568 (282/413) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -1.040 3.216 -9.049) 9.660 2.969 ( -11.155 7.494 12.405) 18.289 3.306 ( 6.536 2.806 4.436) 8.383 3.390 ( 9.542 -10.281 11.531) 18.158 4.079 ( 0.831 8.902 -2.872) 9.391 4.488 ( 3.240 1.978 -8.625) 9.424 5.203 ( -10.607 0.905 0.312) 10.650 5.384 ( -1.037 0.699 1.259) 1.775 5.638 ( 9.987 1.841 1.481) 10.263 6.008 ( -6.228 -3.198 -3.147) 7.675 6.492 ( -1.482 -15.176 3.763) 15.706 19.173 ( 0.177 0.114 -0.027) 0.212 19.843 ( -0.081 0.399 0.081) 0.415 37.456 ( 0.641 -0.426 0.157) 0.785 59.885 ( 0.402 -6.106 2.681) 6.680 ======================= Grid point 569 (283/413) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -10.067 9.361 7.510) 15.665 2.836 ( -2.594 -0.991 -8.648) 9.083 3.379 ( 4.711 2.908 8.612) 10.238 3.714 ( 14.637 -1.516 15.137) 21.110 3.964 ( 3.880 10.674 -4.143) 12.089 4.387 ( 0.224 8.545 -6.532) 10.759 5.029 ( -11.986 0.205 -2.135) 12.176 5.370 ( 0.259 2.205 0.312) 2.242 5.748 ( 7.342 2.191 0.698) 7.694 5.988 ( -2.578 -6.560 -3.795) 8.006 6.694 ( -1.044 -14.469 2.471) 14.716 19.171 ( -0.030 0.263 -0.034) 0.267 19.837 ( -0.061 0.491 0.116) 0.509 37.470 ( 0.533 -0.272 0.394) 0.717 60.042 ( 1.370 -12.458 4.916) 13.463 ======================= Grid point 570 (284/413) ======================= q-point: (-0.23 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -4.377 12.104 11.156) 17.034 2.825 ( -1.843 -7.060 -9.406) 11.904 3.406 ( 3.103 5.885 4.660) 8.123 3.784 ( -1.306 16.393 4.588) 17.073 3.894 ( 13.137 10.643 -6.583) 18.144 4.345 ( 8.265 2.976 8.246) 12.049 4.888 ( -8.114 -1.153 -1.259) 8.292 5.325 ( -1.065 3.625 -0.700) 3.843 5.754 ( 0.343 2.678 -1.906) 3.305 6.090 ( 2.564 -8.703 -2.739) 9.478 6.858 ( 0.016 -9.375 0.064) 9.375 19.165 ( -0.201 0.471 -0.030) 0.513 19.830 ( 0.026 0.516 0.153) 0.538 37.481 ( 0.306 -0.165 0.525) 0.629 60.287 ( -0.482 -18.610 5.336) 19.366 ======================= Grid point 571 (285/413) ======================= q-point: (-0.15 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 4.448 12.059 11.049) 16.950 2.873 ( -3.125 -9.402 -6.806) 12.020 3.342 ( 3.204 10.920 -0.471) 11.390 3.464 ( -4.045 22.718 -2.303) 23.190 3.881 ( 9.232 8.583 -5.972) 13.949 4.499 ( 12.014 3.327 7.506) 14.552 4.856 ( -0.572 -1.808 5.136) 5.475 5.236 ( -3.982 4.175 -0.587) 5.799 5.701 ( -1.289 1.729 -4.000) 4.544 6.221 ( 1.387 -7.251 -1.945) 7.635 6.938 ( 1.193 -1.638 -1.408) 2.468 19.153 ( -0.278 0.687 -0.035) 0.742 19.826 ( 0.165 0.460 0.178) 0.520 37.491 ( 0.381 -0.369 0.663) 0.849 60.556 ( -5.144 -22.859 3.369) 23.672 ======================= Grid point 572 (286/413) ======================= q-point: (-0.08 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 12.139 10.265 9.769) 18.660 2.910 ( -4.341 -6.554 -4.785) 9.203 3.065 ( -3.454 23.759 -2.346) 24.123 3.247 ( 4.791 11.278 -3.153) 12.652 3.850 ( 5.710 5.586 -9.788) 12.634 4.625 ( 13.236 4.892 0.571) 14.122 4.947 ( 4.587 -1.016 10.251) 11.276 5.109 ( -7.574 2.064 -0.426) 7.862 5.637 ( -1.654 2.020 -5.276) 5.887 6.285 ( -1.510 -3.180 -2.003) 4.050 6.929 ( 2.112 5.363 0.454) 5.782 19.140 ( -0.193 0.786 -0.051) 0.811 19.824 ( 0.321 0.340 0.190) 0.505 37.508 ( 0.683 -0.727 0.661) 1.196 60.773 ( -11.318 -23.836 -0.350) 26.389 ======================= Grid point 578 (287/413) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 5.852 0.000 4.450) 7.352 2.684 ( 11.395 0.000 24.528) 27.046 3.240 ( 9.003 0.000 -21.672) 23.468 3.664 ( -12.042 -0.000 -8.684) 14.847 4.009 ( 9.651 0.000 -1.166) 9.722 4.422 ( -3.812 -0.000 11.150) 11.784 5.236 ( -2.387 -0.000 2.107) 3.184 5.533 ( -3.497 -0.000 5.745) 6.725 5.691 ( 2.038 0.000 -1.124) 2.327 6.007 ( 0.957 0.000 1.019) 1.398 6.020 ( -4.198 -0.000 1.897) 4.607 19.163 ( 0.553 0.000 -0.021) 0.554 19.854 ( 0.020 0.000 0.014) 0.025 37.446 ( -0.818 -0.000 -1.208) 1.459 59.959 ( -8.111 -0.000 -4.596) 9.322 ======================= Grid point 579 (288/413) ======================= q-point: ( 0.46 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 4.093 -7.863 4.347) 9.874 2.917 ( 10.333 2.401 13.566) 17.221 3.248 ( 3.992 1.977 -10.846) 11.725 3.461 ( -9.309 2.564 -0.404) 9.664 4.168 ( 7.019 -7.648 -2.017) 10.575 4.366 ( -5.293 3.144 3.808) 7.239 5.241 ( 0.228 -0.454 3.209) 3.249 5.473 ( -7.245 0.695 2.776) 7.790 5.689 ( 2.248 2.785 -0.900) 3.690 5.988 ( -2.760 -1.106 -0.390) 2.999 6.065 ( 0.329 -5.311 1.601) 5.557 19.170 ( 0.398 -0.020 -0.016) 0.398 19.854 ( -0.001 0.092 0.016) 0.094 37.439 ( 0.212 -0.085 -0.480) 0.532 59.848 ( -4.991 0.400 -3.183) 5.933 ======================= Grid point 580 (289/413) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 1.005 -4.299 -6.127) 7.552 2.990 ( 3.223 -5.447 -4.292) 7.648 3.140 ( -13.969 3.356 11.842) 18.618 3.470 ( 13.299 4.939 12.849) 19.140 4.271 ( 0.001 5.040 -2.411) 5.587 4.360 ( 4.690 -9.694 -4.265) 11.584 5.212 ( -9.178 0.173 0.577) 9.198 5.406 ( -0.300 0.852 2.055) 2.245 5.692 ( 3.943 1.685 0.086) 4.289 5.955 ( -3.629 -0.661 -1.259) 3.897 6.165 ( -0.452 -8.477 2.070) 8.738 19.174 ( 0.204 -0.007 -0.018) 0.205 19.852 ( -0.020 0.204 0.033) 0.208 37.447 ( 0.867 -0.186 0.014) 0.887 59.796 ( -1.924 -1.243 -1.455) 2.714 ======================= Grid point 581 (290/413) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -3.658 2.892 -13.359) 14.149 2.942 ( -11.295 6.120 6.135) 14.237 3.196 ( -0.770 -15.812 3.759) 16.271 3.710 ( 17.639 3.906 24.083) 30.106 4.212 ( 6.053 7.332 -6.301) 11.406 4.471 ( 0.879 -3.887 -7.027) 8.079 5.041 ( -12.470 0.854 -1.891) 12.641 5.418 ( 1.320 1.532 2.277) 3.045 5.765 ( 7.087 -1.224 0.618) 7.219 5.897 ( -4.560 -0.081 -2.322) 5.118 6.309 ( -0.242 -12.299 2.530) 12.559 19.175 ( -0.010 0.048 -0.015) 0.051 19.848 ( -0.037 0.319 0.058) 0.327 37.463 ( 0.840 -0.234 0.110) 0.879 59.821 ( 0.194 -4.530 0.339) 4.547 ======================= Grid point 582 (291/413) ======================= q-point: (-0.31 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -2.760 0.252 -6.804) 7.347 2.748 ( -7.323 6.005 1.254) 9.553 3.378 ( -1.734 -10.158 5.475) 11.668 3.993 ( 9.551 2.129 21.183) 23.334 4.172 ( 12.698 9.781 -8.756) 18.265 4.433 ( -0.720 2.715 -6.423) 7.010 4.881 ( -8.132 0.625 -0.186) 8.158 5.409 ( -0.412 2.330 2.554) 3.482 5.813 ( -4.218 1.280 -3.105) 5.392 5.906 ( 7.523 -4.141 -1.151) 8.664 6.512 ( 1.370 -14.533 1.912) 14.722 19.172 ( -0.204 0.137 0.004) 0.246 19.843 ( -0.023 0.403 0.094) 0.415 37.474 ( 0.341 -0.253 -0.040) 0.426 59.921 ( 0.413 -8.711 1.637) 8.873 ======================= Grid point 583 (292/413) ======================= q-point: (-0.23 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 1.140 9.497 8.705) 12.933 2.625 ( -4.015 -7.341 -11.240) 14.012 3.470 ( -1.354 -3.041 4.669) 5.734 3.938 ( -4.496 10.710 -1.635) 11.730 4.178 ( 7.223 12.527 -5.116) 15.339 4.467 ( 8.702 -2.084 -0.680) 8.973 4.843 ( 0.992 -0.177 10.317) 10.366 5.365 ( -2.326 3.858 3.337) 5.606 5.724 ( -4.480 0.059 -4.917) 6.652 6.057 ( 7.758 -3.703 -2.111) 8.852 6.732 ( 2.576 -12.508 0.219) 12.772 19.166 ( -0.345 0.271 0.024) 0.439 19.838 ( 0.039 0.426 0.137) 0.449 37.480 ( -0.074 -0.428 -0.116) 0.450 60.070 ( -1.712 -12.834 1.798) 13.072 ======================= Grid point 584 (293/413) ======================= q-point: (-0.15 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -0.392 1.848 0.042) 1.890 2.669 ( 2.654 -2.765 -0.788) 3.913 3.471 ( -0.149 3.157 1.747) 3.611 3.668 ( -4.849 16.340 -4.284) 17.575 4.048 ( 2.005 9.759 -8.501) 13.097 4.576 ( 5.925 -2.656 -6.471) 9.166 4.985 ( 6.923 0.213 18.424) 19.683 5.264 ( -4.278 6.293 2.989) 8.176 5.660 ( -2.664 -0.789 -4.881) 5.616 6.185 ( 6.601 -2.229 -2.268) 7.327 6.901 ( 2.488 -7.272 -1.068) 7.759 19.156 ( -0.392 0.428 0.015) 0.580 19.834 ( 0.138 0.380 0.174) 0.440 37.487 ( -0.038 -0.849 0.015) 0.850 60.224 ( -5.705 -15.918 0.572) 16.919 ======================= Grid point 585 (294/413) ======================= q-point: (-0.08 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -5.847 -4.275 -4.204) 8.375 2.752 ( 8.447 2.453 3.370) 9.420 3.361 ( -0.849 18.894 -1.309) 18.958 3.424 ( 2.763 6.927 -0.924) 7.515 3.902 ( 0.087 6.182 -14.073) 15.371 4.677 ( 5.116 -6.056 -5.797) 9.821 5.044 ( -7.325 3.371 4.370) 9.171 5.196 ( 7.107 7.038 12.651) 16.127 5.617 ( -1.833 0.324 -3.755) 4.192 6.267 ( 5.261 0.811 -1.023) 5.420 6.978 ( 0.990 -1.302 -0.681) 1.772 19.145 ( -0.283 0.517 -0.016) 0.589 19.833 ( 0.239 0.275 0.199) 0.415 37.503 ( 0.241 -1.265 0.123) 1.293 60.341 ( -10.206 -17.224 -1.620) 20.086 ======================= Grid point 592 (295/413) ======================= q-point: ( 0.46 0.46 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 1.556 0.000 3.692) 4.006 3.026 ( 2.832 0.000 -15.781) 16.033 3.190 ( -13.200 -0.000 11.869) 17.751 3.546 ( 13.686 0.000 12.151) 18.302 4.172 ( 3.408 0.000 -1.172) 3.604 4.342 ( -0.878 -0.000 -1.772) 1.978 5.216 ( -7.213 -0.000 1.126) 7.301 5.420 ( -1.074 -0.000 2.033) 2.299 5.713 ( 0.413 0.000 -1.244) 1.311 5.963 ( -1.401 -0.000 -0.563) 1.510 6.038 ( 0.641 0.000 1.099) 1.272 19.174 ( 0.226 0.000 -0.018) 0.227 19.854 ( 0.003 0.000 0.014) 0.015 37.445 ( 0.907 0.000 -0.026) 0.908 59.784 ( -2.689 -0.000 -2.863) 3.928 ======================= Grid point 593 (296/413) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -0.551 -7.494 2.198) 7.829 2.895 ( -5.468 2.029 -15.039) 16.131 3.068 ( -9.904 2.451 6.842) 12.284 3.815 ( 15.560 2.662 23.043) 27.932 4.251 ( 0.453 -7.726 -2.119) 8.024 4.351 ( 7.637 2.378 -6.224) 10.135 5.068 ( -12.026 0.719 -1.151) 12.102 5.455 ( 3.968 0.976 1.737) 4.440 5.719 ( 0.760 -1.425 -0.805) 1.804 5.928 ( -1.839 1.428 -0.821) 2.469 6.081 ( 0.011 -4.466 1.089) 4.597 19.176 ( 0.030 0.002 -0.021) 0.037 19.854 ( -0.015 0.107 0.022) 0.111 37.459 ( 0.943 -0.070 -0.014) 0.945 59.758 ( -0.175 -0.792 -2.167) 2.314 ======================= Grid point 594 (297/413) ======================= q-point: (-0.38 -0.54 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -4.958 3.688 -15.335) 16.533 2.903 ( -7.570 -0.250 7.871) 10.923 2.975 ( -3.282 -10.938 2.301) 11.649 4.068 ( 10.801 2.882 21.980) 24.659 4.324 ( -0.678 -5.412 -4.497) 7.069 4.416 ( 10.909 3.201 -6.780) 13.237 4.918 ( -6.665 1.445 0.814) 6.868 5.474 ( 1.547 2.946 1.260) 3.558 5.772 ( 0.663 -3.460 -2.493) 4.316 5.887 ( 1.208 1.180 0.174) 1.698 6.175 ( 0.453 -8.933 1.085) 9.010 19.174 ( -0.172 0.030 -0.015) 0.176 19.851 ( -0.039 0.213 0.042) 0.221 37.469 ( 0.378 -0.144 -0.350) 0.535 59.782 ( 1.574 -2.396 -1.294) 3.145 ======================= Grid point 595 (298/413) ======================= q-point: (-0.31 -0.54 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -6.344 -0.322 -14.374) 15.715 2.820 ( -0.488 5.956 8.506) 10.396 3.156 ( -4.797 -17.317 3.467) 18.300 4.113 ( -4.127 3.806 -0.935) 5.692 4.385 ( -2.195 -3.515 -3.013) 5.124 4.493 ( 16.697 7.421 3.444) 18.594 4.879 ( 2.440 2.920 7.852) 8.726 5.441 ( -1.741 2.821 3.062) 4.513 5.729 ( -4.795 0.287 -5.612) 7.387 5.987 ( 9.063 -2.399 0.651) 9.397 6.354 ( 2.966 -13.466 0.047) 13.789 19.170 ( -0.343 0.071 0.010) 0.350 19.848 ( -0.038 0.288 0.080) 0.301 37.469 ( -0.329 -0.301 -0.688) 0.820 59.847 ( 1.638 -4.351 -0.623) 4.690 ======================= Grid point 596 (299/413) ======================= q-point: (-0.23 -0.54 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -8.144 -4.961 -10.613) 14.267 2.819 ( 7.238 6.361 7.473) 12.194 3.316 ( -5.980 -14.233 3.144) 15.755 3.942 ( -6.937 5.570 -8.390) 12.229 4.297 ( -3.146 5.224 -7.353) 9.553 4.620 ( 11.046 5.561 -1.186) 12.423 4.977 ( 6.816 0.888 18.371) 19.615 5.372 ( -6.189 2.676 4.456) 8.082 5.640 ( -3.151 0.126 -5.936) 6.722 6.153 ( 11.070 -1.753 -0.282) 11.211 6.594 ( 4.831 -13.671 -1.874) 14.620 19.164 ( -0.450 0.134 0.032) 0.471 19.844 ( 0.003 0.312 0.133) 0.339 37.465 ( -0.639 -0.665 -0.691) 1.152 59.928 ( -0.238 -6.287 -0.487) 6.311 ======================= Grid point 597 (300/413) ======================= q-point: (-0.15 -0.54 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -10.250 -7.486 -6.848) 14.422 2.897 ( 11.748 5.801 5.916) 14.376 3.404 ( -5.662 -8.777 1.807) 10.600 3.730 ( -4.589 7.822 -9.584) 13.195 4.125 ( -2.708 8.314 -9.311) 12.773 4.641 ( 5.768 4.098 -4.570) 8.423 5.117 ( -1.212 1.901 12.526) 12.727 5.278 ( -3.574 -0.553 8.251) 9.009 5.587 ( -2.604 -0.095 -3.370) 4.260 6.319 ( 12.695 0.804 -0.138) 12.721 6.807 ( 4.273 -9.925 -3.447) 11.342 19.155 ( -0.458 0.221 0.020) 0.509 19.841 ( 0.061 0.282 0.179) 0.340 37.468 ( -0.398 -1.203 -0.354) 1.316 59.998 ( -3.383 -7.948 -0.925) 8.687 ======================= Grid point 598 (301/413) ======================= q-point: (-0.08 -0.54 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -13.018 -7.479 -3.621) 15.444 3.011 ( 12.333 5.169 4.139) 13.998 3.431 ( -3.443 -3.638 0.800) 5.072 3.543 ( 0.915 9.098 -7.864) 12.061 3.926 ( -2.031 8.571 -13.493) 16.113 4.657 ( 3.407 -0.865 -3.902) 5.252 4.982 ( -10.960 3.426 0.355) 11.489 5.383 ( 3.510 -0.391 14.473) 14.898 5.529 ( -5.954 -1.697 -1.185) 6.303 6.455 ( 12.909 5.069 0.777) 13.890 6.929 ( 1.500 -4.605 -3.912) 6.226 19.146 ( -0.311 0.270 -0.011) 0.413 19.839 ( 0.104 0.200 0.203) 0.303 37.484 ( -0.027 -1.588 -0.068) 1.589 60.042 ( -6.503 -9.106 -1.639) 11.309 ======================= Grid point 606 (302/413) ======================= q-point: (-0.46 -0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -3.162 -0.000 3.218) 4.512 2.765 ( -6.495 -0.000 -15.309) 16.630 2.995 ( -7.185 -0.000 5.315) 8.938 4.112 ( 9.605 0.000 20.975) 23.070 4.175 ( -2.354 -0.000 -0.953) 2.540 4.484 ( 13.455 0.000 -6.519) 14.951 4.938 ( -6.209 -0.000 1.525) 6.394 5.543 ( 6.775 0.000 -0.918) 6.837 5.694 ( -1.068 -0.000 -0.823) 1.349 5.909 ( -2.048 -0.000 -0.295) 2.069 6.055 ( -0.061 -0.000 0.673) 0.675 19.175 ( -0.154 -0.000 -0.029) 0.156 19.854 ( -0.040 -0.000 0.021) 0.045 37.467 ( 0.388 0.000 -0.430) 0.579 59.755 ( 2.103 0.000 -2.362) 3.163 ======================= Grid point 607 (303/413) ======================= q-point: (-0.38 -0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -8.190 2.894 -15.635) 17.886 2.727 ( -5.598 -9.397 3.337) 11.436 2.949 ( -1.108 1.995 7.110) 7.467 4.150 ( -5.855 -2.566 -2.317) 6.799 4.231 ( -0.363 -2.575 2.108) 3.348 4.641 ( 12.685 2.615 6.685) 14.575 4.952 ( 6.037 1.715 7.266) 9.601 5.559 ( 2.463 5.768 -1.679) 6.493 5.710 ( -1.231 -2.536 -4.278) 5.124 5.921 ( 4.729 -2.189 1.419) 5.401 6.088 ( 0.145 -5.131 0.319) 5.143 19.171 ( -0.337 0.015 -0.032) 0.339 19.853 ( -0.070 0.099 0.039) 0.128 37.464 ( -0.402 -0.086 -0.900) 0.989 59.790 ( 3.809 -0.618 -2.221) 4.452 ======================= Grid point 608 (304/413) ======================= q-point: (-0.31 -0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -9.828 1.423 -11.949) 15.537 2.827 ( -6.691 -14.572 3.838) 16.487 2.978 ( 4.541 1.705 5.913) 7.648 4.032 ( -7.967 1.450 -8.170) 11.503 4.252 ( -4.690 -6.380 -5.334) 9.548 4.779 ( 8.476 4.288 8.169) 12.529 5.063 ( 8.335 4.126 12.887) 15.892 5.479 ( -2.554 5.988 2.059) 6.828 5.654 ( -2.814 0.453 -6.532) 7.126 6.067 ( 6.871 -3.556 1.027) 7.804 6.249 ( 8.886 -11.127 -1.811) 14.354 19.165 ( -0.481 0.020 -0.017) 0.482 19.850 ( -0.073 0.169 0.084) 0.202 37.453 ( -0.891 -0.267 -1.034) 1.391 59.844 ( 3.995 -0.812 -1.973) 4.529 ======================= Grid point 609 (305/413) ======================= q-point: (-0.23 -0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -10.798 -2.494 -6.808) 13.007 2.963 ( -4.234 -13.572 3.507) 14.643 3.062 ( 4.306 -1.179 4.420) 6.283 3.860 ( -6.073 2.706 -11.583) 13.355 4.215 ( -5.814 -2.650 -7.614) 9.939 4.805 ( 2.245 5.254 1.201) 5.839 5.160 ( 3.867 2.791 13.711) 14.517 5.333 ( -8.672 5.927 2.813) 10.874 5.613 ( 1.099 1.061 -2.340) 2.794 6.215 ( 4.119 -7.574 0.808) 8.660 6.550 ( 16.335 -8.322 -3.918) 18.747 19.158 ( -0.552 0.022 -0.003) 0.552 19.847 ( -0.050 0.200 0.141) 0.250 37.443 ( -0.749 -0.619 -0.660) 1.174 59.892 ( 2.503 -0.756 -1.676) 3.106 ======================= Grid point 610 (306/413) ======================= q-point: (-0.15 -0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -12.096 -5.453 -1.728) 13.381 3.103 ( -0.150 -9.156 1.783) 9.329 3.149 ( -0.263 -4.694 3.865) 6.087 3.709 ( -1.172 3.677 -13.413) 13.957 4.103 ( -5.556 2.232 -9.431) 11.171 4.735 ( -1.569 3.885 -2.419) 4.838 5.102 ( -10.591 6.457 1.384) 12.481 5.248 ( -2.479 -3.325 9.660) 10.513 5.601 ( 0.590 3.424 2.936) 4.549 6.385 ( 2.606 -9.952 0.510) 10.300 6.835 ( 17.929 -1.972 -4.762) 18.656 19.150 ( -0.512 0.033 -0.017) 0.513 19.845 ( -0.036 0.193 0.180) 0.266 37.447 ( -0.144 -1.061 -0.014) 1.071 59.913 ( 0.126 -0.854 -1.151) 1.438 ======================= Grid point 611 (307/413) ======================= q-point: (-0.08 -0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -13.317 -6.075 3.582) 15.069 3.196 ( 5.080 1.766 0.647) 5.417 3.232 ( -7.837 -14.200 2.157) 16.362 3.619 ( 5.756 4.772 -14.700) 16.492 3.929 ( -5.014 5.624 -10.975) 13.312 4.674 ( -2.218 -1.358 -2.905) 3.899 4.870 ( -11.014 5.965 0.242) 12.528 5.301 ( -6.589 -7.325 5.961) 11.515 5.565 ( -0.229 4.790 7.145) 8.605 6.537 ( -0.258 -9.331 -0.094) 9.335 7.017 ( 16.043 5.879 -4.797) 17.746 19.144 ( -0.313 0.024 -0.047) 0.317 19.843 ( -0.061 0.136 0.187) 0.239 37.465 ( 0.313 -1.274 0.369) 1.363 59.912 ( -1.867 -1.326 -0.207) 2.299 ======================= Grid point 620 (308/413) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -11.163 -0.000 -12.641) 16.864 2.585 ( -7.892 -0.000 3.309) 8.558 3.021 ( 4.954 0.000 6.095) 7.854 4.033 ( -7.546 -0.000 -1.112) 7.628 4.140 ( -5.248 -0.000 -10.866) 12.067 4.831 ( 5.285 0.000 12.188) 13.284 5.126 ( 9.007 0.000 12.231) 15.190 5.630 ( 1.211 0.000 -8.453) 8.540 5.646 ( -2.181 -0.000 -0.176) 2.188 6.025 ( 15.102 0.000 0.369) 15.107 6.045 ( -0.960 -0.000 0.133) 0.969 19.165 ( -0.499 -0.000 -0.052) 0.502 19.853 ( -0.097 -0.000 0.061) 0.115 37.449 ( -0.933 -0.000 -1.101) 1.444 59.840 ( 5.614 0.000 -2.628) 6.199 ======================= Grid point 621 (309/413) ======================= q-point: (-0.31 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -12.714 1.242 -7.292) 14.709 2.550 ( -9.934 -9.951 3.519) 14.495 3.124 ( 8.132 1.661 4.582) 9.480 3.904 ( -8.521 0.884 -6.089) 10.510 4.060 ( -5.014 -5.717 -11.358) 13.668 4.873 ( -4.924 0.634 7.818) 9.261 5.247 ( 2.636 2.169 9.915) 10.487 5.552 ( -2.320 7.577 0.195) 7.927 5.627 ( 2.189 -0.012 -2.862) 3.603 6.051 ( -0.778 -3.149 0.108) 3.245 6.336 ( 22.833 -6.473 -2.415) 23.855 19.158 ( -0.619 -0.017 -0.054) 0.622 19.851 ( -0.098 0.071 0.110) 0.163 37.433 ( -0.825 -0.133 -0.723) 1.105 59.904 ( 5.991 0.734 -2.576) 6.562 ======================= Grid point 622 (310/413) ======================= q-point: (-0.23 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -13.370 -0.806 -0.920) 13.426 2.611 ( -11.249 -17.173 3.271) 20.788 3.216 ( 6.439 2.603 3.514) 7.784 3.763 ( -4.334 0.490 -10.727) 11.580 4.025 ( -5.854 -6.378 -11.518) 14.408 4.769 ( -13.421 -0.531 3.109) 13.787 5.242 ( -2.321 2.284 4.116) 5.249 5.379 ( -3.899 11.174 0.313) 11.839 5.661 ( 2.140 0.972 2.578) 3.489 6.111 ( -1.224 -7.723 -0.220) 7.822 6.736 ( 25.580 -5.433 -3.069) 26.330 19.149 ( -0.658 -0.068 -0.051) 0.663 19.849 ( -0.096 0.115 0.154) 0.215 37.428 ( -0.118 -0.335 0.092) 0.367 59.947 ( 4.884 2.260 -1.801) 5.675 ======================= Grid point 623 (311/413) ======================= q-point: (-0.15 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -13.687 -3.634 5.863) 15.327 2.731 ( -11.410 -20.482 2.709) 23.602 3.240 ( -0.074 1.592 0.965) 1.864 3.701 ( 4.278 0.771 -12.563) 13.294 3.954 ( -6.825 -3.570 -13.298) 15.368 4.587 ( -18.592 -3.934 1.000) 19.030 5.136 ( -4.512 11.083 0.890) 12.000 5.217 ( -3.725 1.794 1.468) 4.387 5.659 ( -1.574 1.941 4.045) 4.755 6.217 ( -2.472 -11.379 -0.864) 11.677 7.102 ( 24.508 -0.430 -3.566) 24.770 19.142 ( -0.568 -0.138 -0.071) 0.588 19.847 ( -0.141 0.135 0.158) 0.251 37.441 ( 0.691 -0.544 0.854) 1.226 59.957 ( 3.287 3.646 0.132) 4.911 ======================= Grid point 624 (312/413) ======================= q-point: (-0.08 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -12.765 -5.189 13.124) 19.029 2.877 ( -10.555 -20.522 2.935) 23.263 3.205 ( -2.956 -1.301 -2.672) 4.191 3.703 ( 8.696 3.885 -19.941) 22.099 3.825 ( -8.013 -1.379 -9.795) 12.730 4.426 ( -19.681 -9.708 3.225) 22.181 4.931 ( -1.815 11.183 0.020) 11.329 5.179 ( -4.576 -2.284 2.464) 5.677 5.618 ( -3.242 1.761 5.067) 6.268 6.328 ( -4.657 -12.366 -1.627) 13.314 7.342 ( 19.858 6.789 -4.564) 21.477 19.138 ( -0.310 -0.225 -0.110) 0.399 19.843 ( -0.249 0.100 0.129) 0.298 37.465 ( 0.956 -0.553 1.046) 1.521 59.946 ( 2.558 4.356 3.179) 5.969 ======================= Grid point 634 (313/413) ======================= q-point: (-0.31 -0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -14.645 -0.000 -0.853) 14.670 2.349 ( -12.261 -0.000 4.019) 12.903 3.260 ( 7.036 0.000 3.360) 7.797 3.755 ( -12.211 -0.000 -2.197) 12.407 3.911 ( -0.120 -0.000 -19.244) 19.245 4.758 ( -16.139 -0.000 4.792) 16.835 5.276 ( -2.901 -0.000 2.222) 3.654 5.577 ( -2.988 -0.000 0.338) 3.007 5.665 ( 2.257 0.000 1.455) 2.686 6.009 ( -1.656 -0.000 -0.194) 1.668 6.631 ( 28.488 0.000 -2.309) 28.581 19.148 ( -0.721 -0.000 -0.072) 0.725 19.851 ( -0.107 -0.000 0.142) 0.178 37.425 ( -0.086 -0.000 0.151) 0.174 59.985 ( 6.626 0.000 -2.254) 6.999 ======================= Grid point 635 (314/413) ======================= q-point: (-0.23 -0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -15.357 -0.175 6.810) 16.800 2.267 ( -13.811 -10.811 4.307) 18.060 3.305 ( -0.609 3.077 1.600) 3.521 3.617 ( -9.782 -5.923 -3.290) 11.900 3.857 ( 3.088 -1.530 -21.662) 21.935 4.513 ( -23.286 -1.299 1.918) 23.401 5.225 ( -4.046 0.834 -0.118) 4.133 5.474 ( -3.382 8.540 -0.133) 9.186 5.672 ( -2.753 -0.706 0.928) 2.990 6.009 ( -1.959 -3.675 -0.295) 4.175 7.033 ( 28.763 -2.924 -2.424) 29.012 19.139 ( -0.742 -0.091 -0.079) 0.752 19.849 ( -0.144 0.058 0.137) 0.207 37.433 ( 0.874 -0.078 1.088) 1.398 60.050 ( 6.078 2.270 -0.329) 6.496 ======================= Grid point 636 (315/413) ======================= q-point: (-0.15 -0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -14.417 -2.334 15.372) 21.204 2.306 ( -13.867 -19.116 4.226) 23.991 3.197 ( -7.626 1.521 -2.384) 8.134 3.618 ( -7.545 -10.233 -2.322) 12.924 3.814 ( 5.446 1.383 -24.599) 25.232 4.217 ( -27.256 -4.792 1.977) 27.745 5.157 ( -3.988 0.975 0.178) 4.109 5.278 ( -3.558 11.916 -0.891) 12.467 5.630 ( -5.340 -0.837 1.181) 5.533 6.050 ( -2.701 -7.060 -0.381) 7.569 7.412 ( 25.302 -0.765 -4.471) 25.705 19.131 ( -0.621 -0.251 -0.106) 0.678 19.846 ( -0.271 0.106 0.070) 0.299 37.457 ( 1.387 -0.099 1.506) 2.049 60.086 ( 5.759 4.854 3.851) 8.459 ======================= Grid point 637 (316/413) ======================= q-point: (-0.08 -0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -10.562 -4.604 23.957) 26.583 2.439 ( -12.780 -23.155 4.458) 26.820 3.092 ( -6.434 -2.995 -4.129) 8.211 3.598 ( -10.192 -6.873 -10.469) 16.147 3.740 ( 2.664 2.460 -22.352) 22.644 3.994 ( -23.955 -12.170 7.960) 28.024 5.060 ( -2.026 9.686 1.400) 9.994 5.134 ( -1.036 0.858 0.162) 1.355 5.575 ( -5.547 -1.024 1.582) 5.858 6.117 ( -3.834 -9.055 -0.353) 9.840 7.652 ( 18.136 4.947 -7.761) 20.338 19.129 ( -0.320 -0.447 -0.174) 0.577 19.840 ( -0.473 0.087 -0.000) 0.481 37.481 ( 1.052 -0.029 1.197) 1.594 60.118 ( 7.142 7.187 9.526) 13.907 ======================= Grid point 648 (317/413) ======================= q-point: (-0.23 -0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -15.685 -0.000 15.939) 22.362 2.012 ( -15.969 -0.000 5.249) 16.809 3.310 ( -4.645 -0.000 0.195) 4.650 3.352 ( -15.520 -0.000 -4.116) 16.057 3.831 ( 5.833 0.000 -21.446) 22.225 4.160 ( -27.426 -0.000 -1.238) 27.454 5.169 ( -4.209 -0.000 -1.519) 4.475 5.497 ( -3.240 -0.000 0.713) 3.317 5.588 ( -7.020 -0.000 -1.348) 7.149 5.957 ( -1.992 -0.000 -0.300) 2.014 7.382 ( 27.690 0.000 -3.988) 27.976 19.127 ( -0.769 -0.000 -0.085) 0.774 19.848 ( -0.250 -0.000 0.039) 0.253 37.456 ( 1.485 0.000 1.610) 2.191 60.159 ( 6.797 0.000 3.865) 7.819 ======================= Grid point 649 (318/413) ======================= q-point: (-0.15 -0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -12.682 -1.433 25.615) 28.619 1.905 ( -16.512 -12.754 5.759) 21.645 3.082 ( -12.288 2.837 -3.753) 13.158 3.330 ( -8.386 -10.546 -2.598) 13.722 3.700 ( -26.448 -3.155 1.296) 26.667 3.873 ( -1.521 0.799 -22.838) 22.902 5.116 ( -2.337 0.049 -0.240) 2.350 5.370 ( -4.209 9.066 0.046) 9.995 5.527 ( -5.894 -2.806 -0.025) 6.528 5.950 ( -2.175 -3.109 -0.129) 3.796 7.697 ( 22.243 -0.274 -8.843) 23.938 19.119 ( -0.667 -0.239 -0.109) 0.717 19.842 ( -0.476 0.068 -0.121) 0.496 37.482 ( 1.186 0.027 1.312) 1.769 60.273 ( 9.199 3.373 11.239) 14.910 ======================= Grid point 650 (319/413) ======================= q-point: (-0.08 -0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -5.712 -4.046 33.007) 33.741 1.967 ( -14.708 -22.511 6.104) 27.574 2.923 ( -9.560 -4.000 -3.918) 11.079 3.282 ( -19.036 -5.925 -9.006) 21.876 3.466 ( -20.681 -14.572 14.572) 29.196 3.770 ( 3.433 2.620 -24.341) 24.721 5.108 ( -0.053 1.053 2.768) 2.962 5.206 ( -0.402 7.698 0.593) 7.731 5.485 ( -4.837 -1.552 -0.392) 5.095 5.980 ( -2.393 -5.533 0.535) 6.052 7.863 ( 12.189 2.809 -14.958) 19.499 19.116 ( -0.375 -0.580 -0.209) 0.721 19.832 ( -0.744 0.056 -0.188) 0.769 37.495 ( 0.203 0.028 0.624) 0.657 60.423 ( 14.299 7.813 18.988) 25.021 ======================= Grid point 662 (320/413) ======================= q-point: (-0.15 -0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -7.163 -0.000 33.565) 34.320 1.606 ( -18.332 -0.000 7.152) 19.677 2.883 ( -15.395 -0.000 -6.234) 16.609 3.179 ( -3.371 -0.000 -1.246) 3.594 3.236 ( -38.163 -0.000 11.316) 39.806 3.821 ( 6.289 0.000 -24.597) 25.388 5.111 ( 1.069 0.000 2.169) 2.418 5.390 ( -5.791 -0.000 -0.823) 5.850 5.425 ( -2.638 -0.000 1.094) 2.856 5.901 ( -1.934 -0.000 -0.382) 1.971 7.886 ( 13.774 0.000 -16.920) 21.818 19.107 ( -0.644 -0.000 -0.099) 0.651 19.834 ( -0.772 -0.000 -0.320) 0.836 37.495 ( 0.140 0.000 0.555) 0.572 60.537 ( 16.488 0.000 21.074) 26.758 ======================= Grid point 663 (321/413) ======================= q-point: (-0.08 -0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -16.764 -15.678 8.810) 24.586 1.665 ( -0.343 -3.945 34.193) 34.422 2.682 ( -15.587 -3.628 -3.620) 16.408 2.820 ( -31.197 -6.973 4.089) 32.227 3.196 ( -6.015 -7.227 5.559) 10.923 3.839 ( 13.927 4.365 -14.042) 20.253 5.142 ( 0.292 0.764 3.399) 3.496 5.294 ( 0.730 4.487 1.260) 4.718 5.414 ( -2.474 -1.225 -0.330) 2.780 5.897 ( -1.629 -3.177 0.019) 3.571 7.884 ( -0.030 0.406 -24.497) 24.500 19.102 ( -0.444 -0.474 -0.168) 0.671 19.820 ( -0.971 -0.006 -0.273) 1.009 37.492 ( -0.661 -0.037 0.206) 0.693 60.892 ( 25.824 6.576 26.548) 37.615 ======================= Grid point 676 (322/413) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -17.077 -0.000 10.357) 19.973 1.760 ( -6.086 -0.000 27.381) 28.049 2.385 ( -24.184 -0.000 12.571) 27.256 2.474 ( -9.443 -0.000 -7.854) 12.283 3.128 ( -0.712 -0.000 7.154) 7.190 4.090 ( 20.963 0.000 -5.184) 21.594 5.140 ( -2.069 -0.000 1.099) 2.343 5.383 ( -0.788 0.000 1.562) 1.749 5.383 ( 5.971 0.000 3.472) 6.907 5.852 ( -1.386 -0.000 -0.533) 1.485 7.651 ( -15.796 -0.000 -29.313) 33.298 19.093 ( -0.373 -0.000 -0.112) 0.389 19.806 ( -0.896 -0.000 -0.078) 0.899 37.486 ( -0.255 -0.000 0.461) 0.527 61.473 ( 34.150 0.000 22.883) 41.107 ======================= Grid point 677 (323/413) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -2.724 -0.000 6.844) 7.366 1.856 ( -17.191 -0.000 20.496) 26.751 2.143 ( 1.065 0.000 -4.840) 4.956 2.233 ( 15.250 0.000 -16.061) 22.148 3.877 ( 10.567 0.000 1.876) 10.732 4.129 ( -6.522 -0.000 7.073) 9.621 5.223 ( 4.500 0.000 -3.581) 5.751 5.405 ( 0.139 0.000 0.600) 0.616 5.814 ( -0.120 -0.000 -0.262) 0.288 5.844 ( 7.304 0.000 7.637) 10.568 6.421 ( -13.967 -0.000 -12.305) 18.615 19.085 ( -0.001 -0.000 -0.042) 0.042 19.798 ( -0.012 -0.000 0.099) 0.099 37.512 ( 0.431 0.000 0.128) 0.450 62.305 ( 4.255 0.000 0.023) 4.256 ======================= Grid point 678 (324/413) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 3.074 -20.693 6.025) 21.770 1.836 ( -3.845 -4.513 19.663) 20.538 2.236 ( 7.778 -7.741 -5.451) 12.253 2.503 ( 21.426 -11.880 -13.758) 28.098 3.750 ( -12.970 4.835 -7.099) 15.556 4.257 ( 12.353 1.611 7.453) 14.517 5.178 ( -2.072 4.918 -6.612) 8.497 5.399 ( 1.218 2.415 -1.309) 3.005 5.659 ( -3.157 7.979 -0.405) 8.590 6.039 ( -9.748 -17.687 -6.723) 21.285 6.393 ( 8.225 -3.161 12.560) 15.342 19.089 ( 0.179 -0.504 -0.025) 0.536 19.801 ( 0.276 -0.124 0.071) 0.311 37.516 ( 0.548 0.244 -0.362) 0.700 62.199 ( -7.531 10.230 -4.772) 13.570 ======================= Grid point 679 (325/413) ======================= q-point: ( 0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 4.762 -27.902 3.748) 28.552 2.033 ( 7.616 -7.844 17.118) 20.312 2.484 ( 12.100 -11.779 -4.643) 17.513 2.928 ( 18.413 -15.970 -12.784) 27.523 3.479 ( -10.867 5.166 -4.421) 12.819 4.330 ( 5.181 5.200 -8.635) 11.333 5.072 ( -1.764 1.103 0.620) 2.171 5.338 ( 0.376 7.156 -2.119) 7.472 5.546 ( -4.597 0.622 -3.460) 5.787 6.077 ( -7.076 -12.113 -6.467) 15.447 6.688 ( 9.126 -7.376 19.871) 23.077 19.102 ( 0.244 -0.804 -0.009) 0.840 19.809 ( 0.482 -0.205 0.067) 0.529 37.519 ( 0.804 0.263 -0.598) 1.037 61.818 ( -15.685 17.298 -8.340) 24.795 ======================= Grid point 680 (326/413) ======================= q-point: ( 0.23 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 6.681 -18.488 5.508) 20.415 2.388 ( 9.549 -17.577 7.894) 21.504 2.812 ( 13.766 -12.583 -1.798) 18.736 3.061 ( -7.997 1.632 -5.539) 9.864 3.421 ( 4.956 -4.005 -11.115) 12.812 4.301 ( 7.597 -4.627 -17.152) 19.321 5.106 ( 0.058 -1.409 4.856) 5.057 5.222 ( 0.892 7.821 2.293) 8.198 5.466 ( -4.847 -1.278 -6.230) 7.996 6.136 ( -1.974 -8.627 -4.006) 9.715 6.953 ( 3.454 -5.428 19.188) 20.238 19.116 ( 0.179 -0.834 0.003) 0.853 19.819 ( 0.562 -0.224 0.097) 0.613 37.524 ( 0.925 0.307 -0.704) 1.202 61.284 ( -18.598 19.930 -10.521) 29.220 ======================= Grid point 681 (327/413) ======================= q-point: ( 0.31 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 5.694 -6.099 2.242) 8.639 2.724 ( -2.691 -17.099 0.655) 17.322 2.936 ( 0.472 -1.472 5.789) 5.992 3.149 ( 12.533 -10.060 1.203) 16.116 3.390 ( -1.357 -2.686 -21.122) 21.335 4.523 ( 13.564 -10.501 -12.473) 21.209 5.006 ( -5.806 6.248 -0.979) 8.585 5.300 ( 4.972 -3.229 8.971) 10.753 5.420 ( -0.583 -3.542 -5.714) 6.748 6.211 ( 0.986 -5.339 -1.400) 5.607 7.084 ( -2.368 -1.290 14.838) 15.081 19.128 ( 0.074 -0.678 0.014) 0.682 19.830 ( 0.501 -0.188 0.127) 0.550 37.525 ( 0.550 0.647 -0.821) 1.182 60.733 ( -16.832 18.285 -10.273) 26.893 ======================= Grid point 682 (328/413) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -9.108 3.713 6.437) 11.755 2.926 ( 5.884 -8.740 4.702) 11.537 3.072 ( 2.209 -7.327 -14.000) 15.955 3.327 ( 3.077 -8.217 -8.645) 12.317 3.482 ( 8.798 -7.241 2.398) 11.644 4.689 ( 7.353 0.791 -8.261) 11.087 4.846 ( -9.192 1.242 -0.773) 9.307 5.404 ( 1.447 -5.186 -0.571) 5.414 5.547 ( 6.949 -4.677 2.247) 8.672 6.321 ( 5.474 -6.110 1.858) 8.411 7.061 ( -6.793 3.077 8.332) 11.182 19.136 ( 0.013 -0.445 0.019) 0.445 19.838 ( 0.335 -0.124 0.128) 0.380 37.513 ( -0.005 0.978 -0.831) 1.284 60.281 ( -11.991 13.286 -7.469) 19.393 ======================= Grid point 683 (329/413) ======================= q-point: ( 0.46 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -7.852 4.046 16.197) 18.449 3.032 ( 3.042 -3.865 -24.318) 24.811 3.143 ( 3.578 -4.439 1.390) 5.869 3.438 ( 0.761 -3.879 -1.798) 4.343 3.666 ( 4.821 -3.638 3.217) 6.843 4.684 ( 5.944 6.027 -2.605) 8.857 4.729 ( -10.372 -3.724 -2.328) 11.264 5.476 ( -0.760 -2.593 0.250) 2.713 5.644 ( 1.852 0.284 3.264) 3.764 6.554 ( 10.005 -9.145 1.706) 13.662 6.918 ( -7.448 4.970 1.628) 9.101 19.140 ( 0.001 -0.178 0.003) 0.178 19.843 ( 0.118 -0.054 0.096) 0.161 37.496 ( -0.138 0.784 -0.465) 0.921 60.006 ( -5.606 6.169 -2.860) 8.813 ======================= Grid point 684 (330/413) ======================= q-point: (-0.46 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -4.944 4.177 22.922) 23.819 3.005 ( 3.198 -3.206 -24.092) 24.514 3.192 ( 0.067 1.737 -3.100) 3.554 3.393 ( -3.408 7.385 2.803) 8.602 3.726 ( -1.569 -0.914 -1.969) 2.679 4.636 ( -7.606 -0.464 0.791) 7.661 4.717 ( 6.204 -0.045 -0.161) 6.207 5.422 ( -5.580 4.880 5.033) 8.960 5.661 ( -1.212 -0.268 1.767) 2.159 6.585 ( -7.481 7.809 -1.449) 10.911 6.976 ( 11.192 -10.684 -3.566) 15.878 19.141 ( 0.006 0.110 -0.041) 0.117 19.844 ( -0.119 0.016 0.042) 0.127 37.489 ( 0.145 0.107 0.202) 0.270 59.946 ( 1.291 -1.644 2.843) 3.529 ======================= Grid point 685 (331/413) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -2.016 4.622 26.238) 26.719 2.974 ( -2.510 3.601 -8.915) 9.937 3.075 ( 2.930 6.018 -12.382) 14.076 3.232 ( -5.146 7.987 1.799) 9.670 3.613 ( -8.467 4.681 -7.790) 12.421 4.516 ( -9.771 5.935 8.415) 14.196 4.835 ( 6.395 -4.164 0.328) 7.639 5.299 ( -4.250 5.531 6.947) 9.845 5.611 ( -4.812 2.044 -1.761) 5.517 6.356 ( -6.610 8.381 -1.749) 10.816 7.248 ( 10.600 -9.791 -9.065) 17.041 19.137 ( -0.001 0.395 -0.094) 0.406 19.840 ( -0.359 0.085 -0.019) 0.369 37.497 ( 0.203 -0.422 0.715) 0.855 60.108 ( 8.186 -8.794 9.115) 15.081 ======================= Grid point 686 (332/413) ======================= q-point: (-0.31 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.180 5.515 24.097) 24.721 2.675 ( -9.221 20.263 2.622) 22.416 3.056 ( -4.243 8.408 1.543) 9.544 3.154 ( 10.621 -6.320 -12.397) 17.505 3.317 ( -14.440 9.212 -10.616) 20.151 4.252 ( -16.361 14.663 13.997) 26.050 4.984 ( 4.502 -6.110 1.113) 7.671 5.259 ( 2.097 2.609 6.180) 7.028 5.480 ( -5.932 3.111 -5.132) 8.439 6.188 ( -3.186 6.897 0.866) 7.647 7.408 ( 5.362 -5.676 -15.888) 17.703 19.129 ( -0.050 0.652 -0.135) 0.668 19.832 ( -0.568 0.156 -0.057) 0.592 37.506 ( -0.303 -0.383 0.863) 0.992 60.475 ( 14.805 -14.339 14.795) 25.371 ======================= Grid point 687 (333/413) ======================= q-point: (-0.23 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -9.442 23.385 3.008) 25.398 2.364 ( -0.429 9.110 15.713) 18.168 2.852 ( -12.424 12.102 -3.573) 17.708 2.957 ( -9.313 8.178 -0.139) 12.395 3.374 ( 9.668 -6.844 -7.662) 14.107 3.901 ( -11.617 12.767 20.079) 26.479 5.112 ( 1.831 -4.478 1.769) 5.151 5.306 ( 1.335 -0.157 1.297) 1.868 5.372 ( 0.278 1.114 -1.419) 1.825 6.077 ( -0.511 7.334 2.216) 7.679 7.384 ( -2.639 -0.359 -22.268) 22.427 19.117 ( -0.152 0.831 -0.146) 0.857 19.821 ( -0.671 0.211 -0.037) 0.704 37.506 ( -0.794 -0.097 0.930) 1.227 61.003 ( 20.126 -17.461 17.321) 31.780 ======================= Grid point 688 (334/413) ======================= q-point: (-0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -9.088 25.958 4.790) 27.917 2.268 ( -1.385 8.979 2.181) 9.344 2.442 ( -19.831 8.617 -3.706) 21.938 2.715 ( -10.493 16.904 4.970) 20.508 3.430 ( 5.287 1.353 3.463) 6.464 3.984 ( 6.866 -7.908 17.284) 20.209 5.132 ( -0.881 0.726 -2.067) 2.362 5.327 ( -0.546 -5.168 -1.066) 5.305 5.452 ( 6.694 -0.658 5.182) 8.491 5.993 ( 2.427 8.617 2.598) 9.322 7.150 ( -11.709 4.301 -25.191) 28.111 19.102 ( -0.231 0.814 -0.115) 0.854 19.809 ( -0.586 0.209 0.039) 0.624 37.501 ( -0.545 -0.084 1.004) 1.145 61.594 ( 21.302 -16.585 14.217) 30.512 ======================= Grid point 689 (335/413) ======================= q-point: (-0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -7.384 19.720 5.568) 21.781 2.072 ( -20.388 4.762 15.010) 25.761 2.184 ( 1.595 3.327 -13.452) 13.949 2.341 ( -6.527 16.482 -2.447) 17.896 3.618 ( 15.156 -1.615 10.601) 18.566 4.181 ( -3.927 -5.689 7.391) 10.120 5.142 ( 4.560 -1.249 -1.526) 4.968 5.383 ( -0.077 -2.999 0.509) 3.043 5.599 ( 6.331 -5.548 5.096) 9.840 5.926 ( 4.986 11.221 3.466) 12.759 6.769 ( -17.986 4.700 -22.603) 29.265 19.090 ( -0.178 0.510 -0.069) 0.545 19.801 ( -0.330 0.128 0.100) 0.368 37.504 ( 0.108 -0.182 0.722) 0.753 62.083 ( 15.527 -10.255 6.938) 19.859 ======================= Grid point 691 (336/413) ======================= q-point: ( 0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 8.412 0.000 6.626) 10.708 1.925 ( 8.433 0.000 17.433) 19.366 2.299 ( 12.662 0.000 -2.839) 12.976 2.681 ( 25.096 0.000 -14.906) 29.189 3.546 ( -14.711 -0.000 -6.750) 16.186 4.445 ( 8.734 0.000 -5.434) 10.286 5.114 ( -5.982 -0.000 -8.249) 10.189 5.426 ( 1.346 0.000 -0.277) 1.374 5.601 ( -12.608 -0.000 -5.388) 13.711 5.830 ( 1.255 0.000 0.263) 1.282 6.572 ( 9.316 0.000 21.170) 23.129 19.090 ( 0.389 0.000 -0.005) 0.389 19.806 ( 0.533 0.000 0.061) 0.537 37.523 ( 0.721 0.000 -0.865) 1.126 62.065 ( -17.270 -0.000 -9.558) 19.739 ======================= Grid point 692 (337/413) ======================= q-point: ( 0.15 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 10.210 -16.115 5.216) 19.777 2.177 ( 14.448 -3.100 11.584) 18.776 2.533 ( 16.106 -6.777 -1.352) 17.526 2.952 ( 13.860 -5.216 -12.882) 19.628 3.368 ( -5.394 -0.376 -3.194) 6.280 4.358 ( -2.884 5.003 -24.966) 25.625 5.070 ( 1.111 -0.679 5.960) 6.101 5.421 ( 0.505 3.988 -1.370) 4.247 5.446 ( -5.882 -0.255 -5.578) 8.110 5.893 ( 0.519 -6.110 -0.193) 6.135 6.803 ( 4.375 -4.144 24.430) 25.162 19.099 ( 0.501 -0.358 0.009) 0.616 19.815 ( 0.688 -0.075 0.091) 0.698 37.529 ( 0.915 0.067 -1.064) 1.405 61.685 ( -22.320 8.251 -12.928) 27.082 ======================= Grid point 693 (338/413) ======================= q-point: ( 0.23 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 9.446 -21.883 4.063) 24.178 2.441 ( 10.914 -4.248 1.018) 11.756 2.860 ( 13.824 -8.531 -0.490) 16.252 2.994 ( -0.298 0.211 3.439) 3.458 3.366 ( 0.451 -0.999 -13.725) 13.768 4.245 ( 8.211 -5.721 -21.998) 24.167 5.145 ( 2.690 0.960 7.154) 7.703 5.327 ( -2.440 2.871 -2.317) 4.423 5.383 ( 0.514 3.015 -3.486) 4.637 6.003 ( 1.145 -8.299 -0.601) 8.399 6.987 ( -2.678 -4.863 22.869) 23.533 19.111 ( 0.487 -0.481 0.022) 0.685 19.826 ( 0.684 -0.084 0.135) 0.703 37.534 ( 0.716 0.112 -1.151) 1.360 61.175 ( -22.077 12.834 -14.119) 29.180 ======================= Grid point 694 (339/413) ======================= q-point: ( 0.31 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 8.231 -21.099 3.666) 22.942 2.523 ( -3.109 -0.778 -1.984) 3.769 2.963 ( 2.257 -0.822 4.375) 4.991 3.193 ( 6.103 -3.943 -10.193) 12.518 3.328 ( 11.712 -3.110 -4.370) 12.882 4.461 ( 9.964 -11.985 -12.254) 19.826 5.093 ( 0.515 10.718 -0.125) 10.731 5.298 ( -0.242 -2.243 -3.879) 4.487 5.418 ( 5.678 -2.499 5.875) 8.544 6.131 ( 1.757 -8.113 -0.349) 8.308 7.055 ( -8.999 -3.019 17.587) 19.985 19.124 ( 0.422 -0.422 0.040) 0.598 19.836 ( 0.534 -0.043 0.150) 0.556 37.531 ( -0.033 0.330 -1.316) 1.357 60.662 ( -18.011 13.490 -12.419) 25.702 ======================= Grid point 695 (340/413) ======================= q-point: ( 0.38 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -5.865 2.573 9.901) 11.791 2.841 ( 5.471 -15.793 1.602) 16.791 2.978 ( 2.654 -2.591 -15.181) 15.627 3.273 ( 7.986 -3.606 -5.765) 10.489 3.601 ( 13.836 -3.358 5.990) 15.447 4.601 ( -1.974 -6.198 -5.733) 8.670 4.946 ( 3.131 12.260 -1.496) 12.742 5.350 ( 2.162 -4.910 -2.325) 5.847 5.586 ( 5.895 -4.465 4.534) 8.675 6.283 ( 4.122 -9.563 1.333) 10.498 6.992 ( -12.916 -0.273 10.356) 16.557 19.134 ( 0.381 -0.268 0.056) 0.469 19.843 ( 0.309 0.014 0.127) 0.335 37.513 ( -0.756 0.450 -1.378) 1.634 60.246 ( -12.004 10.663 -8.381) 18.112 ======================= Grid point 696 (341/413) ======================= q-point: ( 0.46 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -2.453 3.691 17.754) 18.298 2.920 ( 2.693 -3.218 -19.997) 20.432 3.136 ( 5.511 -7.342 2.431) 9.496 3.385 ( 3.212 -3.486 -3.697) 6.012 3.784 ( 8.640 2.616 3.490) 9.678 4.566 ( -6.963 -1.893 -0.083) 7.216 4.868 ( 7.621 8.521 -0.974) 11.473 5.424 ( -0.814 -3.714 1.066) 3.949 5.677 ( 0.923 0.185 2.318) 2.502 6.519 ( 5.828 -12.191 1.060) 13.554 6.836 ( -12.232 0.699 3.307) 12.690 19.142 ( 0.367 -0.055 0.048) 0.374 19.845 ( 0.074 0.078 0.083) 0.136 37.492 ( -0.851 0.101 -1.008) 1.323 59.996 ( -5.268 5.036 -3.093) 7.917 ======================= Grid point 697 (342/413) ======================= q-point: (-0.46 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 1.038 4.418 20.184) 20.688 2.921 ( 3.943 -2.688 -15.795) 16.500 3.219 ( 1.647 2.871 -2.538) 4.171 3.404 ( -3.276 -0.379 0.600) 3.352 3.783 ( 2.475 8.886 -0.614) 9.245 4.512 ( -5.712 -2.251 1.795) 6.396 4.901 ( 10.616 5.876 2.026) 12.301 5.416 ( -5.167 1.228 6.049) 8.050 5.653 ( -2.512 1.844 0.266) 3.127 6.529 ( -10.810 3.342 -2.396) 11.566 6.906 ( 5.762 -14.300 -1.545) 15.494 19.145 ( 0.351 0.203 0.007) 0.406 19.843 ( -0.147 0.155 0.037) 0.217 37.483 ( -0.483 -0.546 -0.292) 0.785 59.951 ( 1.538 -2.408 2.680) 3.918 ======================= Grid point 698 (343/413) ======================= q-point: (-0.38 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 3.427 4.838 18.600) 19.522 2.960 ( 3.685 -1.301 -4.850) 6.229 3.103 ( -3.080 6.607 -7.999) 10.822 3.313 ( -4.108 7.374 4.008) 9.344 3.622 ( -2.224 13.175 -4.598) 14.130 4.459 ( -8.308 0.712 5.266) 9.862 4.979 ( 9.709 5.375 3.301) 11.578 5.349 ( -2.617 3.336 7.804) 8.882 5.564 ( -5.565 2.668 -2.832) 6.790 6.332 ( -7.688 3.590 -2.697) 8.903 7.151 ( 4.029 -13.005 -6.700) 15.174 19.145 ( 0.310 0.487 -0.050) 0.580 19.837 ( -0.336 0.245 0.006) 0.416 37.489 ( -0.311 -0.880 0.339) 0.993 60.127 ( 7.867 -10.428 8.279) 15.465 ======================= Grid point 699 (344/413) ======================= q-point: (-0.31 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 2.464 6.321 10.059) 12.133 2.825 ( -8.133 15.048 12.213) 21.017 3.084 ( 3.856 -3.199 -12.251) 13.236 3.180 ( -1.370 7.424 0.529) 7.568 3.350 ( -1.810 16.175 -1.464) 16.341 4.276 ( -13.560 10.051 11.401) 20.369 5.044 ( 6.525 1.764 1.635) 6.954 5.346 ( 0.380 2.356 3.227) 4.013 5.432 ( -2.663 2.857 -2.831) 4.824 6.221 ( -2.517 2.588 0.816) 3.701 7.274 ( -1.018 -7.955 -12.657) 14.984 19.140 ( 0.218 0.778 -0.099) 0.814 19.828 ( -0.454 0.330 0.008) 0.562 37.496 ( -0.539 -0.629 0.681) 1.073 60.506 ( 12.893 -17.758 12.366) 25.190 ======================= Grid point 700 (345/413) ======================= q-point: (-0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -8.317 13.263 1.594) 15.736 2.605 ( 0.063 16.756 10.454) 19.749 2.859 ( -11.042 20.809 -5.719) 24.241 3.074 ( 4.171 6.873 2.978) 8.573 3.359 ( 4.086 -4.259 -2.661) 6.474 4.024 ( -6.658 10.941 18.395) 22.415 5.125 ( 3.666 -1.520 0.932) 4.076 5.242 ( -5.003 0.636 -7.104) 8.712 5.467 ( 5.855 1.513 4.714) 7.667 6.187 ( 2.217 4.219 4.131) 6.307 7.211 ( -7.362 -0.869 -17.709) 19.198 19.129 ( 0.075 1.034 -0.120) 1.044 19.817 ( -0.444 0.379 0.047) 0.585 37.497 ( -0.639 -0.249 0.857) 1.098 61.034 ( 15.045 -22.933 12.833) 30.281 ======================= Grid point 701 (346/413) ======================= q-point: (-0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -7.946 20.948 9.818) 24.461 2.363 ( -10.119 19.297 -8.495) 23.387 2.450 ( 0.673 16.075 1.788) 16.188 2.916 ( -2.209 21.192 1.984) 21.399 3.485 ( 6.604 -8.855 -1.315) 11.124 4.041 ( 2.050 -0.372 18.445) 18.563 5.112 ( -2.403 -0.473 -3.827) 4.544 5.256 ( 1.931 -5.264 -2.231) 6.034 5.539 ( 3.953 0.574 3.677) 5.429 6.198 ( 7.132 7.041 7.108) 12.287 6.947 ( -13.376 6.472 -19.604) 24.599 19.114 ( -0.035 1.133 -0.099) 1.138 19.807 ( -0.281 0.354 0.090) 0.461 37.498 ( -0.226 -0.239 0.806) 0.870 61.594 ( 12.200 -23.936 8.577) 28.201 ======================= Grid point 702 (347/413) ======================= q-point: (-0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -1.255 29.109 6.758) 29.909 1.981 ( -14.370 9.982 12.239) 21.353 2.309 ( 7.030 11.376 -9.646) 16.489 2.600 ( 6.349 23.182 -5.335) 24.621 3.717 ( 4.156 -11.406 -1.411) 12.221 4.124 ( 0.596 0.651 11.721) 11.755 5.126 ( 0.663 -5.085 -3.097) 5.991 5.339 ( 1.198 -4.802 -1.556) 5.188 5.594 ( 1.110 -2.358 1.941) 3.250 6.245 ( 11.282 11.247 11.100) 19.416 6.537 ( -16.936 9.458 -17.365) 26.035 19.099 ( -0.000 0.945 -0.058) 0.947 19.802 ( -0.016 0.257 0.096) 0.275 37.506 ( 0.301 -0.376 0.328) 0.583 62.028 ( 3.758 -19.311 1.618) 19.740 ======================= Grid point 705 (348/413) ======================= q-point: ( 0.15 0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 12.725 0.000 4.823) 13.608 2.389 ( 13.393 0.000 1.527) 13.480 2.714 ( 18.508 0.000 -0.453) 18.513 2.993 ( 1.964 0.000 -0.529) 2.034 3.336 ( 2.728 0.000 -6.429) 6.984 4.204 ( -0.598 -0.000 -30.112) 30.118 5.150 ( 4.542 0.000 10.582) 11.515 5.340 ( -3.844 -0.000 -7.084) 8.060 5.472 ( 2.424 0.000 -0.826) 2.561 5.878 ( 1.908 0.000 0.548) 1.985 6.901 ( -2.913 -0.000 26.178) 26.340 19.104 ( 0.675 0.000 0.018) 0.675 19.825 ( 0.757 0.000 0.138) 0.770 37.535 ( 0.733 0.000 -1.306) 1.497 61.358 ( -24.156 -0.000 -15.563) 28.736 ======================= Grid point 706 (349/413) ======================= q-point: ( 0.23 0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 11.976 -12.049 3.974) 17.447 2.498 ( 4.039 -0.722 -6.597) 7.769 2.963 ( 9.850 0.346 4.018) 10.644 3.056 ( 5.617 -4.238 6.351) 9.479 3.320 ( 5.457 0.647 -13.927) 14.972 4.208 ( 12.235 -5.038 -17.792) 22.173 5.246 ( 2.824 0.776 5.914) 6.599 5.283 ( 1.111 0.791 -3.536) 3.790 5.474 ( 2.828 3.960 -0.593) 4.903 5.937 ( 1.890 -4.493 0.640) 4.916 6.949 ( -10.548 -3.313 23.512) 25.982 19.115 ( 0.716 -0.173 0.026) 0.737 19.836 ( 0.655 -0.004 0.162) 0.675 37.534 ( 0.029 0.015 -1.510) 1.510 60.937 ( -21.635 5.706 -15.413) 27.169 ======================= Grid point 707 (350/413) ======================= q-point: ( 0.31 0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 8.747 -16.749 4.352) 19.390 2.501 ( 0.443 -0.031 -0.401) 0.599 2.960 ( -3.060 0.391 -4.603) 5.541 3.231 ( 13.048 -0.490 -6.149) 14.433 3.486 ( 16.144 -4.344 2.218) 16.865 4.400 ( 8.488 -7.307 -7.345) 13.393 5.262 ( 4.132 0.751 -3.833) 5.686 5.273 ( 2.058 7.513 0.486) 7.805 5.497 ( 4.696 -0.475 5.472) 7.226 6.048 ( 1.872 -7.453 0.475) 7.699 6.916 ( -16.016 -4.404 17.484) 24.117 19.127 ( 0.682 -0.195 0.045) 0.710 19.843 ( 0.443 0.038 0.141) 0.466 37.520 ( -0.939 0.097 -1.754) 1.992 60.518 ( -16.675 8.215 -12.543) 22.425 ======================= Grid point 708 (351/413) ======================= q-point: ( 0.38 0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 0.774 1.644 10.492) 10.649 2.700 ( 6.241 -15.122 -2.605) 16.566 2.931 ( 3.171 -2.726 -6.695) 7.893 3.364 ( 10.039 1.083 -4.729) 11.150 3.764 ( 13.667 -4.029 2.392) 14.447 4.511 ( 0.260 -2.617 0.781) 2.744 5.158 ( 3.502 11.866 -0.680) 12.391 5.323 ( 3.777 -2.438 -2.450) 5.119 5.623 ( 4.165 -3.337 5.168) 7.429 6.197 ( 2.792 -10.190 0.841) 10.599 6.803 ( -18.061 -3.606 10.244) 21.075 19.139 ( 0.638 -0.128 0.066) 0.654 19.847 ( 0.215 0.094 0.095) 0.254 37.494 ( -1.463 0.047 -1.752) 2.283 60.179 ( -10.850 7.404 -8.062) 15.413 ======================= Grid point 709 (352/413) ======================= q-point: ( 0.46 0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 4.150 2.766 7.345) 8.878 2.845 ( 2.695 -4.017 -4.257) 6.444 3.112 ( 6.849 -10.158 3.428) 12.722 3.401 ( 2.737 2.516 -7.217) 8.119 3.954 ( 10.178 1.427 0.714) 10.302 4.500 ( -4.426 1.499 5.588) 7.284 5.089 ( 7.875 8.175 0.373) 11.357 5.379 ( -0.033 -1.987 1.086) 2.265 5.691 ( -0.722 -0.141 2.009) 2.140 6.401 ( 1.603 -12.477 0.191) 12.581 6.650 ( -14.486 -3.783 4.071) 15.515 19.148 ( 0.591 0.005 0.063) 0.594 19.848 ( 0.022 0.161 0.053) 0.171 37.470 ( -1.189 -0.349 -1.233) 1.748 59.973 ( -4.833 3.394 -3.053) 6.648 ======================= Grid point 710 (353/413) ======================= q-point: (-0.46 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 5.325 1.649 -0.257) 5.581 2.925 ( 4.963 -0.056 6.224) 7.961 3.283 ( 1.850 4.337 -3.392) 5.809 3.337 ( -1.513 -4.198 0.730) 4.522 3.974 ( 4.325 10.764 0.719) 11.623 4.440 ( -4.989 -0.072 3.069) 5.857 5.144 ( 11.855 5.616 2.497) 13.353 5.384 ( -3.537 -0.523 5.702) 6.731 5.633 ( -5.196 2.401 -1.220) 5.852 6.378 ( -12.100 -0.607 -2.809) 12.437 6.745 ( 1.660 -15.817 0.509) 15.912 19.154 ( 0.522 0.198 0.028) 0.560 19.844 ( -0.134 0.252 0.028) 0.287 37.464 ( -0.534 -0.873 -0.392) 1.096 59.941 ( 0.968 -3.229 1.880) 3.860 ======================= Grid point 711 (354/413) ======================= q-point: (-0.38 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 4.733 0.200 -2.175) 5.213 3.013 ( 4.313 1.370 -1.867) 4.895 3.129 ( -4.773 8.477 9.268) 13.436 3.385 ( 1.942 3.981 3.483) 5.635 3.817 ( 0.386 15.935 0.693) 15.954 4.383 ( -6.161 0.089 1.437) 6.327 5.208 ( 6.795 8.066 3.754) 11.195 5.390 ( 1.059 -0.047 7.065) 7.144 5.500 ( -6.921 2.129 -4.580) 8.568 6.231 ( -7.733 -0.947 -3.344) 8.478 6.965 ( 0.001 -14.392 -3.090) 14.720 19.157 ( 0.424 0.437 -0.018) 0.609 19.838 ( -0.244 0.360 0.023) 0.435 37.473 ( -0.167 -1.026 0.309) 1.084 60.104 ( 5.834 -11.314 6.130) 14.129 ======================= Grid point 712 (355/413) ======================= q-point: (-0.31 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -1.187 5.481 -1.341) 5.766 2.916 ( -4.361 0.690 -1.297) 4.602 3.107 ( 3.347 8.625 8.461) 12.537 3.338 ( 4.416 9.755 2.344) 10.962 3.587 ( 0.245 18.330 1.854) 18.426 4.279 ( -6.900 4.620 7.373) 11.104 5.169 ( 1.801 5.622 2.018) 6.239 5.304 ( -8.096 2.972 -6.231) 10.640 5.510 ( 7.147 1.020 4.076) 8.291 6.188 ( -1.989 -3.444 -0.297) 3.988 7.080 ( -3.431 -8.805 -7.144) 11.846 19.153 ( 0.285 0.716 -0.053) 0.773 19.829 ( -0.278 0.452 0.043) 0.533 37.485 ( -0.210 -0.685 0.658) 0.973 60.445 ( 8.592 -19.309 8.558) 22.801 ======================= Grid point 713 (356/413) ======================= q-point: (-0.23 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -9.070 11.091 3.154) 14.671 2.873 ( 1.751 12.297 7.492) 14.505 3.009 ( -1.053 11.394 -7.575) 13.723 3.228 ( 6.139 10.171 -1.616) 11.989 3.414 ( -0.685 9.670 2.816) 10.095 4.191 ( 0.684 8.010 15.431) 17.399 5.116 ( -6.970 0.607 -2.490) 7.426 5.176 ( 1.501 0.713 -5.816) 6.048 5.588 ( 5.256 2.508 3.116) 6.605 6.251 ( 2.631 -3.398 3.201) 5.358 7.038 ( -6.572 -0.543 -10.132) 12.089 19.144 ( 0.118 1.009 -0.066) 1.018 19.819 ( -0.204 0.491 0.073) 0.536 37.491 ( -0.210 -0.297 0.729) 0.814 60.903 ( 7.810 -25.351 7.797) 27.649 ======================= Grid point 714 (357/413) ======================= q-point: (-0.15 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -8.036 11.594 11.377) 18.123 2.632 ( -0.783 29.401 -5.165) 29.861 2.724 ( 4.096 18.160 -0.843) 18.636 3.215 ( 5.605 18.307 -1.465) 19.202 3.356 ( -0.316 -12.142 -3.389) 12.610 4.209 ( 4.651 6.078 12.924) 15.020 5.029 ( -3.688 -2.076 -3.003) 5.189 5.205 ( 1.069 -3.543 -3.053) 4.797 5.610 ( 1.793 2.302 0.918) 3.059 6.356 ( 4.094 -1.852 4.838) 6.603 6.839 ( -7.024 9.212 -9.047) 14.699 19.129 ( 0.002 1.198 -0.057) 1.200 19.811 ( -0.023 0.452 0.087) 0.461 37.497 ( 0.116 -0.253 0.529) 0.597 61.366 ( 2.576 -27.461 3.581) 27.813 ======================= Grid point 715 (358/413) ======================= q-point: (-0.08 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -2.010 10.123 16.864) 19.772 2.184 ( 0.562 32.785 0.772) 32.799 2.562 ( 8.466 15.527 -6.928) 18.993 3.024 ( 12.635 21.705 -7.812) 26.301 3.494 ( -5.851 -12.702 -3.313) 14.372 4.245 ( 5.096 2.277 2.728) 6.213 5.046 ( -0.138 -3.639 0.088) 3.643 5.259 ( -0.625 -5.974 -2.267) 6.421 5.591 ( -0.975 0.840 -1.385) 1.891 6.366 ( -8.030 3.198 -7.313) 11.322 6.624 ( 6.421 13.679 9.546) 17.874 19.113 ( 0.041 1.136 -0.035) 1.137 19.808 ( 0.223 0.346 0.076) 0.418 37.507 ( 0.536 -0.356 0.025) 0.644 61.704 ( -6.235 -24.505 -2.489) 25.408 ======================= Grid point 719 (359/413) ======================= q-point: ( 0.23 0.23 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 12.237 0.000 3.423) 12.707 2.502 ( 1.947 0.000 -3.104) 3.664 2.971 ( -6.600 -0.000 -0.798) 6.648 3.221 ( 18.548 0.000 0.756) 18.563 3.420 ( 13.133 0.000 -6.030) 14.451 4.289 ( 12.924 0.000 -7.590) 14.988 5.252 ( 2.664 0.000 -6.111) 6.666 5.382 ( 5.107 0.000 9.209) 10.530 5.538 ( 3.083 0.000 -0.998) 3.240 5.935 ( 1.820 0.000 0.661) 1.936 6.835 ( -17.580 -0.000 20.641) 27.113 19.125 ( 0.798 0.000 0.023) 0.798 19.844 ( 0.488 0.000 0.144) 0.509 37.521 ( -0.934 -0.000 -1.809) 2.035 60.637 ( -18.404 -0.000 -14.086) 23.175 ======================= Grid point 720 (360/413) ======================= q-point: ( 0.31 0.23 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 10.338 -9.057 3.375) 14.152 2.537 ( 4.720 0.389 -0.216) 4.741 2.903 ( -1.877 -0.276 -1.365) 2.337 3.426 ( 14.208 3.469 -2.783) 14.888 3.606 ( 12.258 -6.301 -3.641) 14.255 4.443 ( 8.742 -1.668 2.243) 9.178 5.276 ( 3.546 -0.283 -4.178) 5.487 5.449 ( 4.742 6.230 4.143) 8.858 5.570 ( 3.563 0.074 2.911) 4.602 5.992 ( 1.710 -4.465 0.740) 4.838 6.680 ( -21.062 -3.851 14.758) 26.005 19.136 ( 0.776 -0.065 0.032) 0.780 19.849 ( 0.279 0.042 0.092) 0.297 37.495 ( -1.627 0.010 -1.939) 2.532 60.338 ( -14.046 3.444 -10.854) 18.082 ======================= Grid point 721 (361/413) ======================= q-point: ( 0.38 0.23 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 7.184 -3.034 6.150) 9.931 2.597 ( 7.391 -8.095 -9.181) 14.298 2.939 ( 3.277 -1.935 8.068) 8.920 3.486 ( 6.271 3.685 -7.959) 10.782 3.854 ( 11.721 -7.378 -1.643) 13.947 4.554 ( 2.852 1.693 9.412) 9.979 5.280 ( -0.202 2.791 0.347) 2.820 5.419 ( 6.568 7.018 -1.641) 9.751 5.649 ( 1.563 -1.887 4.609) 5.220 6.104 ( 1.778 -8.147 0.561) 8.357 6.522 ( -19.829 -5.792 7.965) 22.140 19.147 ( 0.713 -0.067 0.047) 0.717 19.851 ( 0.108 0.101 0.044) 0.154 37.465 ( -1.557 -0.092 -1.652) 2.272 60.087 ( -9.428 4.065 -6.869) 12.353 ======================= Grid point 722 (362/413) ======================= q-point: ( 0.46 0.23 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 6.187 0.647 -16.833) 17.946 2.874 ( 7.657 -7.657 14.308) 17.944 3.097 ( 5.460 -5.644 8.929) 11.891 3.432 ( -0.032 4.195 -8.804) 9.753 4.077 ( 10.579 -3.565 -1.517) 11.266 4.529 ( -5.734 6.186 11.011) 13.871 5.256 ( 3.440 2.403 2.761) 5.023 5.419 ( 4.662 4.484 -0.241) 6.472 5.662 ( -4.379 -0.310 0.973) 4.497 6.243 ( -2.738 -9.263 -0.531) 9.674 6.408 ( -11.264 -7.979 3.404) 14.217 19.157 ( 0.620 -0.011 0.044) 0.621 19.850 ( -0.009 0.177 0.019) 0.178 37.446 ( -0.794 -0.414 -0.908) 1.276 59.929 ( -4.741 1.554 -2.887) 5.764 ======================= Grid point 723 (363/413) ======================= q-point: (-0.46 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 4.438 -1.015 -16.004) 16.639 3.108 ( 9.507 2.929 12.858) 16.257 3.260 ( -0.589 -5.127 1.288) 5.319 3.347 ( 1.966 0.917 4.307) 4.823 4.163 ( 4.004 7.752 0.722) 8.755 4.392 ( -7.145 2.385 4.061) 8.558 5.337 ( 5.324 -1.789 4.712) 7.331 5.411 ( 4.567 6.029 2.086) 7.845 5.552 ( -9.520 1.395 -3.230) 10.150 6.188 ( -10.549 -2.599 -2.412) 11.129 6.543 ( -0.230 -15.465 1.409) 15.531 19.164 ( 0.493 0.107 0.017) 0.505 19.847 ( -0.090 0.281 0.015) 0.295 37.447 ( 0.035 -0.774 -0.059) 0.777 59.904 ( -0.324 -3.810 0.736) 3.894 ======================= Grid point 724 (364/413) ======================= q-point: (-0.38 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 3.074 -3.616 -10.611) 11.624 3.030 ( -4.754 7.648 -8.496) 12.380 3.351 ( 6.836 7.294 23.793) 25.808 3.476 ( 5.768 -2.005 3.183) 6.887 4.023 ( -1.668 12.555 5.435) 13.782 4.318 ( -2.950 0.990 -3.739) 4.865 5.334 ( -7.558 3.896 2.729) 8.930 5.382 ( -5.451 2.474 -4.023) 7.212 5.506 ( 11.082 -0.026 2.866) 11.447 6.086 ( -7.206 -2.875 -3.212) 8.397 6.750 ( -1.181 -14.926 -0.217) 14.974 19.167 ( 0.343 0.278 -0.011) 0.441 19.840 ( -0.136 0.399 0.027) 0.422 37.463 ( 0.361 -0.840 0.475) 1.030 60.032 ( 2.935 -10.998 3.540) 11.921 ======================= Grid point 725 (365/413) ======================= q-point: (-0.31 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 0.079 0.095 -1.369) 1.374 2.824 ( -6.030 2.266 -5.554) 8.506 3.369 ( 3.503 13.228 10.900) 17.494 3.535 ( 7.100 5.778 1.284) 9.244 3.847 ( 0.064 17.779 3.380) 18.097 4.288 ( 0.729 -0.982 4.125) 4.303 5.146 ( -11.626 1.169 -3.737) 12.268 5.289 ( 0.196 6.151 -1.549) 6.346 5.648 ( 7.985 1.430 2.934) 8.627 6.072 ( -2.989 -7.529 -2.169) 8.386 6.894 ( -2.331 -10.118 -1.979) 10.570 19.165 ( 0.172 0.506 -0.022) 0.535 19.833 ( -0.122 0.492 0.049) 0.510 37.479 ( 0.223 -0.577 0.588) 0.853 60.299 ( 3.811 -18.410 4.684) 19.375 ======================= Grid point 726 (366/413) ======================= q-point: (-0.23 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -6.200 11.749 6.836) 14.940 2.867 ( -0.275 -10.056 -2.651) 10.403 3.216 ( 3.593 17.420 -1.870) 17.885 3.530 ( 6.254 18.650 0.697) 19.683 3.562 ( -1.421 12.553 -1.800) 12.761 4.368 ( 5.083 2.400 8.740) 10.392 4.997 ( -7.087 -0.383 -1.195) 7.198 5.214 ( 1.388 4.466 -3.295) 5.721 5.688 ( 1.948 3.164 0.654) 3.772 6.181 ( 0.571 -10.094 -0.253) 10.113 6.938 ( -2.068 -2.425 -2.344) 3.956 19.157 ( -0.002 0.785 -0.023) 0.785 19.825 ( -0.027 0.525 0.070) 0.531 37.490 ( 0.114 -0.326 0.448) 0.565 60.647 ( 1.344 -24.188 3.353) 24.456 ======================= Grid point 727 (367/413) ======================= q-point: (-0.15 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -2.088 11.499 11.585) 16.456 2.942 ( -0.534 4.006 0.517) 4.075 2.997 ( 5.588 19.979 -5.967) 21.587 3.230 ( -5.024 9.519 -2.247) 10.996 3.510 ( 9.389 11.501 -5.571) 15.857 4.386 ( 3.644 5.894 -0.645) 6.960 4.977 ( 0.523 -1.139 6.246) 6.370 5.177 ( 0.255 0.863 -3.097) 3.225 5.642 ( -1.837 2.495 -2.100) 3.743 6.303 ( -1.096 -7.032 -1.376) 7.249 6.904 ( 1.155 5.056 2.050) 5.577 19.144 ( -0.110 1.018 -0.023) 1.024 19.819 ( 0.142 0.483 0.078) 0.510 37.498 ( 0.339 -0.328 0.177) 0.504 60.986 ( -4.413 -26.677 -0.430) 27.043 ======================= Grid point 728 (368/413) ======================= q-point: (-0.08 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 4.227 10.188 12.900) 16.973 2.649 ( 3.188 29.452 1.764) 29.677 2.868 ( 8.689 15.124 -4.359) 17.979 3.150 ( -9.082 -6.646 -4.369) 12.072 3.456 ( 9.567 9.357 -9.590) 16.463 4.338 ( 5.824 5.856 -9.708) 12.746 5.065 ( 3.997 -0.603 9.074) 9.934 5.157 ( -3.195 -2.919 -2.271) 4.887 5.565 ( -3.452 1.490 -4.515) 5.876 6.286 ( -4.446 1.813 -5.445) 7.260 6.896 ( 5.329 6.563 12.076) 14.741 19.128 ( -0.056 1.052 -0.017) 1.054 19.817 ( 0.356 0.373 0.079) 0.522 37.510 ( 0.725 -0.404 -0.221) 0.859 61.219 ( -11.927 -25.082 -5.551) 28.322 ======================= Grid point 733 (369/413) ======================= q-point: ( 0.31 0.31 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 9.689 0.000 2.562) 10.022 2.612 ( 8.417 0.000 -10.140) 13.178 2.921 ( 1.866 0.000 12.661) 12.798 3.590 ( 3.414 0.000 -11.814) 12.297 3.677 ( 14.684 0.000 0.658) 14.699 4.577 ( 6.978 0.000 10.057) 12.240 5.299 ( 1.733 0.000 -2.118) 2.737 5.584 ( 3.446 0.000 6.671) 7.508 5.611 ( 2.944 0.000 -1.085) 3.137 5.985 ( 1.462 0.000 0.835) 1.683 6.416 ( -21.586 -0.000 9.663) 23.650 19.146 ( 0.748 0.000 0.025) 0.748 19.853 ( 0.130 0.000 0.036) 0.135 37.464 ( -1.638 -0.000 -1.716) 2.372 60.148 ( -11.096 -0.000 -8.185) 13.788 ======================= Grid point 734 (370/413) ======================= q-point: ( 0.38 0.31 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 7.724 -6.320 -0.464) 9.991 2.658 ( 8.611 -0.445 -15.736) 17.943 3.061 ( 6.771 0.144 20.927) 21.995 3.527 ( -0.326 2.669 -10.737) 11.069 3.904 ( 11.423 -6.147 -0.243) 12.974 4.667 ( -0.549 2.862 13.152) 13.471 5.294 ( -1.041 0.595 1.331) 1.792 5.580 ( 3.823 5.578 -0.259) 6.767 5.652 ( -1.432 -0.211 2.306) 2.722 6.038 ( 0.995 -4.418 0.660) 4.577 6.226 ( -15.972 -5.126 3.710) 17.179 19.156 ( 0.657 -0.036 0.029) 0.659 19.853 ( 0.041 0.062 0.005) 0.074 37.440 ( -0.931 -0.072 -1.076) 1.424 59.979 ( -7.990 1.343 -5.325) 9.696 ======================= Grid point 735 (371/413) ======================= q-point: ( 0.46 0.31 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 5.930 1.694 -19.053) 20.026 2.861 ( 7.114 -13.680 3.070) 15.722 3.244 ( 9.195 2.439 13.010) 16.117 3.436 ( -1.934 2.887 -0.736) 3.552 4.132 ( 9.318 -6.797 -1.008) 11.578 4.569 ( -11.310 7.374 11.496) 17.733 5.306 ( 1.639 -0.556 4.308) 4.643 5.564 ( 2.147 3.486 -1.083) 4.235 5.580 ( -5.449 2.748 -1.242) 6.227 6.081 ( -6.559 -4.543 -0.513) 7.995 6.199 ( -2.928 -9.551 1.233) 10.066 19.164 ( 0.524 -0.032 0.023) 0.525 19.852 ( -0.006 0.144 0.001) 0.144 37.433 ( 0.051 -0.268 -0.263) 0.378 59.864 ( -4.640 0.059 -2.642) 5.339 ======================= Grid point 736 (372/413) ======================= q-point: (-0.46 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 3.284 0.763 -16.033) 16.383 3.166 ( 3.336 -13.820 2.821) 14.494 3.239 ( 1.333 3.377 -8.240) 9.004 3.505 ( 8.707 4.035 23.631) 25.505 4.280 ( 1.849 2.746 0.919) 3.436 4.349 ( -7.807 3.251 3.602) 9.192 5.361 ( -3.803 -0.954 5.285) 6.580 5.405 ( -7.184 1.065 -6.361) 9.655 5.585 ( 7.158 4.030 0.802) 8.253 6.024 ( -7.309 -2.338 -1.722) 7.865 6.346 ( -0.543 -13.298 0.962) 13.343 19.170 ( 0.356 0.023 0.004) 0.356 19.849 ( -0.038 0.252 0.010) 0.255 37.444 ( 0.677 -0.487 0.330) 0.897 59.840 ( -1.431 -3.766 -0.300) 4.040 ======================= Grid point 737 (373/413) ======================= q-point: (-0.38 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 1.243 -2.753 -10.466) 10.893 3.046 ( -5.840 8.701 -2.328) 10.734 3.455 ( 2.152 -11.361 4.017) 12.241 3.675 ( 12.572 6.911 14.536) 20.423 4.137 ( -3.555 5.714 8.394) 10.758 4.329 ( 2.042 4.190 -6.379) 7.901 5.169 ( -13.639 0.694 -5.042) 14.558 5.405 ( 0.640 1.631 1.374) 2.226 5.669 ( 9.360 0.924 1.863) 9.588 5.946 ( -6.693 -1.866 -2.701) 7.454 6.535 ( -0.856 -14.862 0.767) 14.907 19.173 ( 0.173 0.125 -0.008) 0.214 19.845 ( -0.053 0.369 0.026) 0.374 37.463 ( 0.646 -0.559 0.464) 0.972 59.927 ( 0.645 -9.291 1.354) 9.412 ======================= Grid point 738 (374/413) ======================= q-point: (-0.31 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -0.130 -7.163 -4.987) 8.729 2.830 ( -6.698 10.443 3.865) 12.995 3.556 ( -1.548 1.719 7.989) 8.317 3.725 ( 11.010 9.198 -7.081) 15.999 4.084 ( -0.101 13.249 5.627) 14.395 4.304 ( 4.166 -3.177 -0.203) 5.242 4.996 ( -7.812 0.108 -0.997) 7.876 5.370 ( 0.751 4.907 -0.131) 4.966 5.770 ( 3.751 2.720 1.092) 4.761 5.913 ( -2.037 -7.637 -2.818) 8.392 6.719 ( -0.476 -12.825 0.373) 12.839 19.171 ( -0.010 0.282 -0.001) 0.283 19.839 ( -0.024 0.458 0.047) 0.461 37.478 ( 0.239 -0.504 0.249) 0.611 60.110 ( 0.485 -15.138 1.721) 15.243 ======================= Grid point 739 (375/413) ======================= q-point: (-0.23 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -3.891 9.724 6.995) 12.595 2.693 ( -1.341 -9.322 -0.014) 9.418 3.462 ( 1.152 12.266 0.267) 12.322 3.677 ( 1.985 9.069 -10.073) 13.699 3.861 ( 3.166 18.838 0.768) 19.118 4.404 ( 0.836 -4.564 -4.164) 6.234 4.986 ( 3.781 0.608 9.768) 10.492 5.301 ( 1.477 6.744 -1.445) 7.054 5.708 ( -4.422 1.985 -2.781) 5.588 6.052 ( 2.923 -9.352 -0.521) 9.812 6.863 ( 0.679 -7.850 0.794) 7.919 19.165 ( -0.178 0.506 0.005) 0.536 19.833 ( 0.066 0.489 0.068) 0.498 37.486 ( 0.015 -0.529 -0.026) 0.530 60.344 ( -2.412 -19.795 0.308) 19.944 ======================= Grid point 740 (376/413) ======================= q-point: (-0.15 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 1.657 9.385 9.445) 13.418 2.801 ( -3.867 -10.548 1.495) 11.334 3.296 ( 4.414 15.917 -4.818) 17.206 3.412 ( -4.060 18.566 -3.343) 19.296 3.713 ( 4.068 11.032 -9.465) 15.094 4.438 ( 4.059 -1.413 -7.892) 8.986 5.104 ( 7.956 3.666 13.112) 15.769 5.212 ( -0.932 5.961 -1.591) 6.240 5.608 ( -4.347 1.203 -5.101) 6.809 6.192 ( 1.030 -6.958 -0.770) 7.076 6.961 ( 2.074 -2.789 3.863) 5.196 19.153 ( -0.272 0.728 -0.004) 0.777 19.828 ( 0.209 0.448 0.083) 0.501 37.495 ( 0.222 -0.703 -0.222) 0.770 60.561 ( -7.431 -22.070 -2.775) 23.452 ======================= Grid point 741 (377/413) ======================= q-point: (-0.08 0.31 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 5.547 7.605 7.562) 12.074 2.873 ( -7.036 -8.408 3.224) 11.428 3.050 ( 2.088 23.141 -2.077) 23.328 3.187 ( 6.040 13.602 -1.818) 14.994 3.555 ( -0.048 6.795 -17.245) 18.536 4.492 ( 11.109 3.216 -9.694) 15.091 5.079 ( -5.318 3.031 -1.605) 6.328 5.221 ( 6.745 4.062 11.727) 14.125 5.514 ( -2.772 2.028 -6.617) 7.455 6.246 ( 0.072 -0.785 -1.669) 1.846 7.036 ( 1.675 -0.141 9.586) 9.732 19.139 ( -0.196 0.809 -0.007) 0.832 19.827 ( 0.372 0.340 0.100) 0.514 37.510 ( 0.565 -0.809 -0.443) 1.082 60.701 ( -12.900 -21.460 -6.698) 25.920 ======================= Grid point 747 (378/413) ======================= q-point: ( 0.38 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 6.113 0.000 1.893) 6.399 2.679 ( 7.693 0.000 -20.537) 21.931 3.278 ( 11.171 0.000 15.996) 19.510 3.481 ( -2.680 -0.000 -2.809) 3.883 3.998 ( 9.017 0.000 0.121) 9.017 4.679 ( -10.643 -0.000 12.483) 16.405 5.298 ( 0.152 0.000 3.853) 3.856 5.590 ( -6.776 -0.000 -0.585) 6.802 5.668 ( 1.946 0.000 -1.106) 2.238 6.027 ( 1.079 0.000 0.929) 1.424 6.032 ( -7.836 -0.000 -0.537) 7.855 19.164 ( 0.538 0.000 0.024) 0.539 19.854 ( 0.019 0.000 -0.006) 0.020 37.430 ( 0.028 0.000 -0.311) 0.312 59.870 ( -6.199 -0.000 -3.754) 7.246 ======================= Grid point 748 (379/413) ======================= q-point: ( 0.46 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 4.992 3.139 -16.235) 17.273 2.776 ( 4.201 -9.608 -0.143) 10.488 3.350 ( -0.050 2.268 -9.221) 9.496 3.580 ( 11.108 1.506 23.818) 26.324 4.143 ( 6.287 -5.932 -0.357) 8.651 4.511 ( -15.439 4.014 8.817) 18.227 5.333 ( -0.885 -0.667 5.861) 5.965 5.448 ( -8.839 1.368 -5.859) 10.692 5.671 ( 2.467 1.945 -0.783) 3.237 5.969 ( -3.307 -0.974 -1.272) 3.674 6.085 ( 0.388 -5.655 0.495) 5.689 19.170 ( 0.379 -0.020 0.016) 0.380 19.854 ( 0.011 0.083 0.000) 0.083 37.437 ( 0.744 -0.113 0.259) 0.796 59.791 ( -3.849 -0.541 -2.242) 4.487 ======================= Grid point 749 (380/413) ======================= q-point: (-0.46 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 1.621 3.466 -13.026) 13.576 3.001 ( 2.088 -16.193 1.371) 16.385 3.243 ( -4.455 4.658 -2.290) 6.840 3.821 ( 15.161 3.808 17.651) 23.578 4.293 ( -0.023 -2.688 0.528) 2.740 4.304 ( -5.677 1.638 2.284) 6.335 5.199 ( -13.571 1.433 -3.773) 14.158 5.418 ( 2.553 0.131 0.667) 2.642 5.694 ( 3.913 0.344 0.263) 3.937 5.926 ( -3.566 0.127 -1.394) 3.831 6.189 ( -0.197 -9.342 0.460) 9.355 19.174 ( 0.190 -0.003 0.001) 0.190 19.852 ( -0.005 0.187 0.011) 0.187 37.452 ( 0.827 -0.248 0.380) 0.943 59.771 ( -1.416 -2.916 -0.876) 3.358 ======================= Grid point 750 (381/413) ======================= q-point: (-0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -1.075 0.402 -7.723) 7.808 3.079 ( -6.419 7.328 4.328) 10.660 3.267 ( -1.037 -18.016 2.393) 18.204 3.994 ( 13.402 8.281 1.215) 15.801 4.199 ( -0.097 2.553 6.404) 6.895 4.363 ( 0.806 -0.413 -3.222) 3.347 5.013 ( -7.811 1.445 -0.759) 7.980 5.438 ( 1.238 0.896 0.063) 1.530 5.767 ( 3.708 -2.585 -0.291) 4.529 5.858 ( -2.766 2.136 -1.026) 3.643 6.340 ( -0.204 -13.007 0.657) 13.025 19.175 ( -0.003 0.044 -0.001) 0.044 19.849 ( -0.015 0.292 0.025) 0.294 37.465 ( 0.338 -0.367 0.092) 0.507 59.825 ( 0.061 -6.479 0.057) 6.480 ======================= Grid point 751 (382/413) ======================= q-point: (-0.31 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -3.025 -4.334 -2.964) 6.059 2.920 ( -4.469 8.846 9.002) 13.389 3.464 ( -3.361 -12.307 2.393) 12.980 3.946 ( 3.992 9.863 -12.210) 16.196 4.233 ( 3.022 4.946 4.002) 7.044 4.319 ( 1.672 3.007 -6.822) 7.641 4.994 ( 4.189 0.529 10.280) 11.113 5.431 ( 1.183 2.226 -0.462) 2.563 5.730 ( -7.744 -0.108 -4.194) 8.808 5.907 ( 7.777 -1.444 1.080) 7.983 6.535 ( 0.572 -14.577 0.540) 14.599 19.173 ( -0.182 0.131 0.012) 0.224 19.844 ( 0.012 0.371 0.047) 0.374 37.471 ( -0.235 -0.524 -0.298) 0.647 59.939 ( -0.370 -10.244 0.126) 10.252 ======================= Grid point 752 (383/413) ======================= q-point: (-0.23 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -5.244 -7.534 0.270) 9.184 2.823 ( 1.210 8.456 11.169) 14.061 3.517 ( -3.335 -1.959 -0.240) 3.875 3.756 ( -3.455 8.874 -15.074) 17.830 4.100 ( -0.956 13.574 -2.421) 13.822 4.353 ( 7.241 -1.132 -6.693) 9.926 5.154 ( 9.592 0.393 15.043) 17.845 5.398 ( 0.441 5.182 -0.267) 5.207 5.604 ( -7.139 -0.933 -6.242) 9.529 6.043 ( 7.465 -2.681 0.811) 7.973 6.738 ( 1.138 -12.872 0.542) 12.934 19.166 ( -0.333 0.281 0.017) 0.437 19.840 ( 0.085 0.399 0.072) 0.414 37.474 ( -0.383 -0.819 -0.480) 1.024 60.078 ( -2.887 -13.247 -0.953) 13.592 ======================= Grid point 753 (384/413) ======================= q-point: (-0.15 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -7.265 -6.941 2.642) 10.389 2.826 ( 6.053 6.009 10.722) 13.701 3.456 ( -0.268 4.977 -2.975) 5.805 3.502 ( -5.003 9.544 -14.827) 18.329 3.867 ( -1.585 14.909 -5.968) 16.137 4.449 ( 7.409 -2.288 -5.069) 9.264 5.256 ( -6.549 6.177 1.047) 9.064 5.337 ( 8.982 3.668 10.036) 13.959 5.538 ( -0.928 -0.911 -6.895) 7.017 6.178 ( 7.018 -1.918 1.471) 7.423 6.908 ( 0.635 -9.499 1.920) 9.712 19.157 ( -0.400 0.454 0.001) 0.605 19.837 ( 0.188 0.365 0.093) 0.421 37.482 ( -0.065 -1.170 -0.447) 1.254 60.198 ( -6.632 -14.840 -3.027) 16.534 ======================= Grid point 754 (385/413) ======================= q-point: (-0.08 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -8.636 -5.130 4.284) 10.920 2.892 ( 7.234 4.890 8.229) 11.998 3.253 ( -1.998 10.016 -13.773) 17.147 3.385 ( 4.196 6.572 -2.821) 8.292 3.617 ( -0.888 14.111 -7.628) 16.065 4.565 ( 7.054 -4.208 -5.256) 9.751 5.043 ( -9.887 6.174 -2.543) 11.930 5.426 ( 5.453 5.256 7.290) 10.512 5.519 ( 3.473 1.761 -4.855) 6.223 6.282 ( 6.483 1.434 2.022) 6.940 7.023 ( -1.883 -6.179 4.966) 8.148 19.145 ( -0.290 0.531 -0.007) 0.605 19.836 ( 0.285 0.267 0.112) 0.406 37.498 ( 0.232 -1.283 -0.485) 1.391 60.269 ( -10.098 -14.803 -5.473) 18.737 ======================= Grid point 761 (386/413) ======================= q-point: ( 0.46 0.46 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 2.153 0.000 -14.401) 14.561 2.747 ( 1.907 0.000 1.373) 2.350 3.310 ( -4.043 -0.000 -1.901) 4.468 3.876 ( 16.465 0.000 17.333) 23.907 4.159 ( 3.078 0.000 -0.201) 3.084 4.379 ( -11.381 -0.000 4.574) 12.265 5.223 ( -13.227 -0.000 -2.630) 13.486 5.421 ( 2.915 0.000 0.020) 2.915 5.692 ( 0.542 0.000 -0.761) 0.935 5.939 ( -0.798 -0.000 -1.437) 1.644 6.056 ( 0.513 0.000 0.629) 0.812 19.174 ( 0.206 0.000 0.008) 0.206 19.855 ( 0.012 0.000 0.006) 0.013 37.449 ( 0.854 0.000 0.351) 0.923 59.736 ( -2.134 -0.000 -1.628) 2.684 ======================= Grid point 762 (387/413) ======================= q-point: (-0.46 -0.54 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -1.329 3.518 -8.877) 9.641 2.833 ( -0.393 -10.015 1.092) 10.082 3.223 ( -7.162 2.687 5.108) 9.198 4.145 ( 17.274 2.902 5.226) 18.279 4.226 ( 0.570 -5.776 -0.260) 5.809 4.274 ( -4.045 1.687 1.252) 4.558 5.055 ( -7.620 1.048 -0.127) 7.692 5.456 ( 2.428 0.507 -0.891) 2.636 5.704 ( 0.308 -1.683 -0.457) 1.772 5.913 ( -0.854 1.560 -0.436) 1.832 6.095 ( -0.010 -4.710 0.341) 4.722 19.175 ( 0.012 -0.001 -0.006) 0.014 19.854 ( -0.006 0.097 0.011) 0.098 37.459 ( 0.370 -0.106 0.023) 0.385 59.725 ( -0.074 -1.476 -0.895) 1.728 ======================= Grid point 763 (388/413) ======================= q-point: (-0.38 -0.54 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -4.103 2.963 -3.244) 6.012 3.004 ( -2.822 -16.826 1.263) 17.108 3.109 ( -6.284 4.923 9.293) 12.251 4.124 ( -4.853 3.580 -11.380) 12.880 4.300 ( -1.643 -5.557 -2.170) 6.188 4.364 ( 16.101 5.088 0.905) 16.910 5.034 ( 4.384 1.972 10.087) 11.174 5.461 ( 1.175 0.807 -2.418) 2.807 5.715 ( -3.149 -1.246 -2.135) 4.003 5.902 ( 3.186 0.483 1.035) 3.384 6.190 ( 0.003 -9.323 0.351) 9.330 19.174 ( -0.177 0.010 -0.009) 0.177 19.852 ( -0.019 0.190 0.024) 0.193 37.461 ( -0.332 -0.246 -0.442) 0.605 59.765 ( 1.258 -3.352 -0.306) 3.593 ======================= Grid point 764 (389/413) ======================= q-point: (-0.31 -0.54 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -5.719 -0.758 1.908) 6.077 3.024 ( -1.816 5.889 10.954) 12.568 3.198 ( -4.967 -17.899 0.551) 18.584 3.919 ( -8.250 3.866 -15.876) 18.304 4.292 ( -4.144 -0.286 -2.915) 5.074 4.476 ( 15.792 8.127 -5.546) 18.606 5.172 ( 9.082 1.646 15.692) 18.205 5.458 ( 1.620 0.371 -2.352) 2.880 5.620 ( -7.370 1.775 -3.718) 8.443 5.999 ( 8.293 -1.716 0.728) 8.500 6.354 ( 1.010 -13.525 -0.064) 13.563 19.170 ( -0.341 0.041 0.002) 0.343 19.849 ( 0.002 0.257 0.048) 0.261 37.455 ( -0.728 -0.493 -0.677) 1.110 59.838 ( 1.025 -5.050 -0.157) 5.156 ======================= Grid point 765 (390/413) ======================= q-point: (-0.23 -0.54 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -6.997 -4.347 6.088) 10.243 3.004 ( 3.675 5.993 10.152) 12.348 3.338 ( -6.217 -13.524 -1.246) 14.937 3.676 ( -7.928 4.433 -18.063) 20.218 4.178 ( -5.010 5.748 -2.917) 8.164 4.522 ( 11.817 7.798 -6.748) 15.684 5.319 ( 2.249 -0.672 11.306) 11.547 5.426 ( -5.974 3.813 0.773) 7.129 5.520 ( 3.365 0.346 -4.256) 5.436 6.156 ( 11.407 -1.236 0.746) 11.498 6.563 ( 1.648 -14.417 -1.010) 14.546 19.164 ( -0.462 0.118 0.001) 0.477 19.846 ( 0.053 0.284 0.075) 0.299 37.453 ( -0.534 -0.885 -0.519) 1.157 59.917 ( -0.759 -6.213 -0.572) 6.285 ======================= Grid point 766 (391/413) ======================= q-point: (-0.15 -0.54 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -8.561 -5.611 9.393) 13.893 3.042 ( 7.203 5.380 6.839) 11.296 3.391 ( -4.974 -7.054 -4.415) 9.695 3.437 ( -5.231 4.495 -17.412) 18.728 3.989 ( -4.614 10.392 -2.688) 11.684 4.537 ( 7.005 3.714 -5.503) 9.651 5.191 ( -12.175 4.664 -1.370) 13.110 5.448 ( 0.742 -4.865 1.928) 5.285 5.562 ( 5.383 3.939 3.357) 7.467 6.333 ( 13.572 0.948 1.527) 13.690 6.758 ( 0.589 -12.306 -1.269) 12.385 19.155 ( -0.487 0.220 -0.020) 0.535 19.844 ( 0.105 0.262 0.092) 0.297 37.462 ( -0.001 -1.252 -0.183) 1.265 59.974 ( -3.179 -6.756 -1.388) 7.594 ======================= Grid point 767 (392/413) ======================= q-point: (-0.08 0.46 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -9.584 -4.926 12.544) 16.537 3.089 ( 7.457 4.902 -1.806) 9.105 3.225 ( -2.846 4.332 -17.172) 17.937 3.428 ( -0.126 -3.486 -1.396) 3.757 3.772 ( -2.386 12.028 -1.168) 12.317 4.576 ( 4.860 -1.559 -3.956) 6.458 4.951 ( -12.219 4.731 -2.632) 13.365 5.501 ( -0.959 -2.204 -2.226) 3.276 5.595 ( 3.754 2.401 6.242) 7.669 6.485 ( 13.046 4.819 1.943) 14.042 6.887 ( -2.623 -8.881 -0.218) 9.263 19.146 ( -0.331 0.257 -0.028) 0.420 19.843 ( 0.131 0.182 0.098) 0.244 37.481 ( 0.252 -1.263 -0.097) 1.291 60.002 ( -5.015 -6.733 -2.256) 8.693 ======================= Grid point 775 (393/413) ======================= q-point: (-0.46 -0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -4.866 -0.000 -3.458) 5.969 2.749 ( -2.569 -0.000 1.110) 2.799 3.177 ( -6.938 -0.000 9.449) 11.722 4.161 ( -2.623 -0.000 -0.425) 2.657 4.184 ( -6.060 -0.000 -11.464) 12.967 4.445 ( 19.255 0.000 0.085) 19.255 5.065 ( 4.727 0.000 10.325) 11.356 5.479 ( 1.884 0.000 -4.488) 4.867 5.685 ( -0.793 -0.000 -0.052) 0.794 5.915 ( -0.427 -0.000 0.854) 0.955 6.063 ( -0.300 -0.000 0.030) 0.301 19.174 ( -0.177 -0.000 -0.023) 0.179 19.855 ( -0.028 -0.000 0.014) 0.031 37.458 ( -0.346 -0.000 -0.474) 0.587 59.724 ( 1.888 0.000 -0.508) 1.955 ======================= Grid point 776 (394/413) ======================= q-point: (-0.38 -0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -7.391 2.635 2.398) 8.205 2.773 ( -4.829 -9.826 1.180) 11.012 3.138 ( -3.028 2.162 10.703) 11.332 3.995 ( -8.931 2.134 -15.730) 18.214 4.157 ( -5.179 -6.300 -2.156) 8.436 4.664 ( 18.599 4.216 -4.980) 19.710 5.226 ( 9.620 1.493 15.294) 18.129 5.467 ( 1.635 0.426 -6.705) 6.915 5.663 ( -3.060 1.077 -0.351) 3.263 5.945 ( 4.316 -1.723 1.074) 4.770 6.090 ( -0.381 -5.153 -0.065) 5.168 19.170 ( -0.355 -0.007 -0.033) 0.357 19.854 ( -0.038 0.086 0.028) 0.098 37.447 ( -0.812 -0.123 -0.734) 1.101 59.767 ( 3.342 -0.933 0.032) 3.470 ======================= Grid point 777 (395/413) ======================= q-point: (-0.31 -0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -8.409 1.345 7.856) 11.587 2.879 ( -7.119 -15.940 0.991) 17.486 3.140 ( 1.956 3.251 9.668) 10.386 3.767 ( -8.524 2.624 -18.180) 20.250 4.151 ( -7.376 -6.244 -3.086) 10.145 4.762 ( 12.110 7.845 -6.693) 15.906 5.332 ( 0.247 1.442 6.684) 6.842 5.507 ( 6.436 1.020 1.476) 6.681 5.560 ( -4.298 3.843 -0.783) 5.819 6.076 ( 7.308 -3.826 0.126) 8.250 6.217 ( 5.173 -10.341 -1.075) 11.612 19.165 ( -0.497 -0.018 -0.030) 0.499 19.852 ( -0.023 0.146 0.054) 0.157 37.436 ( -0.682 -0.321 -0.529) 0.921 59.829 ( 3.531 -1.052 0.563) 3.728 ======================= Grid point 778 (396/413) ======================= q-point: (-0.23 -0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -8.736 -1.663 12.723) 15.523 3.001 ( -8.161 -16.488 -0.580) 18.406 3.186 ( 5.113 2.793 7.098) 9.182 3.541 ( -6.896 2.984 -19.188) 20.607 4.092 ( -8.407 -2.724 -3.470) 9.494 4.727 ( 4.649 8.035 -7.652) 12.030 5.297 ( -5.446 2.138 -0.339) 5.860 5.391 ( -6.690 3.088 2.776) 7.874 5.633 ( 6.847 1.293 3.244) 7.686 6.230 ( 3.629 -8.194 0.704) 8.989 6.474 ( 14.460 -7.736 -3.403) 16.749 19.158 ( -0.582 -0.006 -0.038) 0.584 19.850 ( -0.003 0.178 0.072) 0.192 37.436 ( -0.031 -0.606 0.042) 0.608 59.886 ( 2.599 -0.523 1.100) 2.870 ======================= Grid point 779 (397/413) ======================= q-point: (-0.15 -0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -9.101 -3.449 16.758) 19.379 3.095 ( -5.164 -12.255 -4.753) 14.122 3.253 ( 3.289 0.477 5.533) 6.454 3.335 ( -4.387 2.787 -20.330) 20.984 3.973 ( -8.065 1.590 -2.779) 8.677 4.637 ( 0.934 4.482 -6.743) 8.150 5.103 ( -10.167 7.273 -0.745) 12.523 5.361 ( -4.132 -4.471 2.715) 6.666 5.682 ( 2.294 2.217 3.006) 4.384 6.396 ( 0.507 -11.276 0.517) 11.299 6.739 ( 17.596 -1.572 -4.598) 18.254 19.149 ( -0.555 0.017 -0.062) 0.559 19.848 ( -0.014 0.172 0.068) 0.185 37.452 ( 0.627 -0.815 0.569) 1.175 59.921 ( 1.455 0.249 1.738) 2.280 ======================= Grid point 780 (398/413) ======================= q-point: (-0.08 -0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -8.490 -3.795 20.220) 22.257 3.125 ( 2.374 0.562 -24.027) 24.150 3.186 ( -4.274 -2.766 -2.776) 5.799 3.319 ( -1.330 -5.581 1.559) 5.946 3.827 ( -5.550 4.246 -1.665) 7.184 4.603 ( 1.637 -1.102 -3.406) 3.936 4.865 ( -9.420 7.382 -0.396) 11.975 5.393 ( -4.952 -6.494 3.544) 8.902 5.677 ( -0.139 1.979 2.689) 3.342 6.532 ( -3.367 -10.971 -0.354) 11.482 6.921 ( 15.889 5.096 -4.661) 17.325 19.143 ( -0.350 -0.009 -0.072) 0.357 19.845 ( -0.063 0.107 0.052) 0.135 37.475 ( 0.708 -0.670 0.630) 1.161 59.937 ( 0.998 0.969 2.420) 2.791 ======================= Grid point 789 (399/413) ======================= q-point: (-0.38 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -9.710 -0.000 8.438) 12.864 2.632 ( -6.919 -0.000 1.092) 7.004 3.187 ( 1.184 0.000 9.827) 9.898 3.818 ( -7.904 -0.000 -19.948) 21.457 4.011 ( -8.186 -0.000 -1.002) 8.247 4.875 ( 10.552 0.000 -5.546) 11.920 5.355 ( -1.170 -0.000 2.637) 2.885 5.519 ( 9.811 0.000 2.020) 10.017 5.650 ( -2.006 -0.000 0.587) 2.090 6.022 ( 11.085 0.000 -0.042) 11.085 6.042 ( -1.070 -0.000 -0.468) 1.167 19.164 ( -0.518 -0.000 -0.053) 0.520 19.854 ( -0.046 -0.000 0.044) 0.063 37.433 ( -0.687 -0.000 -0.517) 0.860 59.821 ( 5.114 0.000 0.845) 5.183 ======================= Grid point 790 (400/413) ======================= q-point: (-0.31 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -10.487 1.429 13.815) 17.403 2.600 ( -8.921 -9.681 1.142) 13.214 3.254 ( 4.414 1.477 6.963) 8.376 3.612 ( -6.714 2.291 -20.078) 21.295 3.928 ( -10.288 -6.404 -2.649) 12.404 4.878 ( -2.293 2.712 -6.447) 7.360 5.318 ( -2.825 0.181 -0.814) 2.945 5.565 ( -3.361 6.699 0.865) 7.545 5.651 ( 5.677 0.117 2.669) 6.274 6.048 ( -1.007 -3.703 -0.330) 3.852 6.283 ( 21.063 -5.710 -2.479) 21.963 19.157 ( -0.636 -0.036 -0.058) 0.640 19.853 ( -0.046 0.061 0.059) 0.096 37.428 ( 0.028 -0.112 0.148) 0.188 59.899 ( 5.902 0.691 2.111) 6.306 ======================= Grid point 791 (401/413) ======================= q-point: (-0.23 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -10.134 -0.223 18.858) 21.410 2.651 ( -10.076 -15.811 0.333) 18.751 3.316 ( 4.708 2.298 2.797) 5.939 3.405 ( -5.502 2.515 -20.120) 21.009 3.870 ( -10.919 -7.717 -3.602) 13.847 4.727 ( -9.699 1.735 -6.503) 11.806 5.273 ( -3.192 0.694 0.642) 3.329 5.391 ( -5.701 9.632 0.956) 11.234 5.701 ( 0.833 -0.417 -0.113) 0.938 6.108 ( -1.725 -7.852 -0.056) 8.040 6.656 ( 24.887 -4.814 -5.078) 25.852 19.148 ( -0.686 -0.081 -0.069) 0.694 19.851 ( -0.078 0.102 0.049) 0.137 37.439 ( 0.895 -0.221 0.904) 1.291 59.971 ( 5.994 2.499 3.942) 7.597 ======================= Grid point 792 (402/413) ======================= q-point: (-0.15 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -9.269 -2.084 23.107) 24.984 2.756 ( -9.101 -18.721 -0.836) 20.832 3.218 ( -5.176 2.181 -15.191) 16.196 3.329 ( 2.750 2.176 -8.258) 8.971 3.808 ( -9.934 -5.545 -2.963) 11.756 4.560 ( -11.172 -2.308 -3.021) 11.801 5.146 ( -4.289 12.345 0.431) 13.076 5.260 ( -5.714 -2.397 3.055) 6.909 5.692 ( -2.594 -0.862 -1.171) 2.974 6.206 ( -2.992 -10.823 -0.274) 11.232 6.991 ( 23.164 -0.649 -7.582) 24.382 19.140 ( -0.612 -0.140 -0.095) 0.635 19.848 ( -0.169 0.109 0.012) 0.201 37.463 ( 1.314 -0.251 1.315) 1.876 60.027 ( 6.283 4.693 6.221) 10.010 ======================= Grid point 793 (403/413) ======================= q-point: (-0.08 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -6.927 -3.293 25.914) 27.025 2.903 ( -7.263 -18.943 -0.924) 20.308 3.080 ( 0.191 1.994 -17.026) 17.144 3.266 ( -2.883 0.202 -8.222) 8.715 3.720 ( -9.351 -3.014 -5.125) 11.081 4.497 ( -8.687 -7.573 4.143) 12.247 4.931 ( -2.021 11.802 0.209) 11.976 5.260 ( -5.127 -5.102 5.158) 8.884 5.655 ( -4.135 -1.333 -1.372) 4.556 6.304 ( -4.821 -11.152 -0.892) 12.182 7.201 ( 17.771 4.812 -9.241) 20.600 19.136 ( -0.365 -0.248 -0.113) 0.456 19.844 ( -0.288 0.049 -0.021) 0.293 37.487 ( 0.978 -0.042 1.183) 1.535 60.071 ( 7.243 6.827 8.268) 12.939 ======================= Grid point 803 (404/413) ======================= q-point: (-0.31 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -11.432 -0.000 19.328) 22.456 2.405 ( -10.813 -0.000 1.263) 10.886 3.350 ( 5.926 0.000 -1.444) 6.099 3.465 ( -5.295 -0.000 -17.080) 17.882 3.708 ( -13.422 -0.000 -2.169) 13.596 4.747 ( -13.927 -0.000 -5.552) 14.993 5.274 ( -3.783 -0.000 -0.026) 3.783 5.590 ( -2.934 -0.000 0.913) 3.073 5.675 ( -0.763 -0.000 -1.902) 2.049 6.001 ( -1.593 -0.000 -0.634) 1.714 6.562 ( 27.603 0.000 -4.856) 28.027 19.147 ( -0.732 -0.000 -0.066) 0.735 19.853 ( -0.090 -0.000 0.043) 0.099 37.436 ( 0.980 0.000 0.977) 1.384 60.012 ( 7.617 0.000 4.595) 8.895 ======================= Grid point 804 (405/413) ======================= q-point: (-0.23 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -10.707 0.069 23.754) 26.056 2.328 ( -12.167 -10.142 1.448) 15.906 3.291 ( -3.303 2.944 -19.521) 20.016 3.387 ( 1.030 2.570 -4.490) 5.275 3.585 ( -12.185 -8.915 -1.645) 15.187 4.505 ( -19.348 -1.220 -2.596) 19.560 5.220 ( -4.788 -0.404 0.986) 4.905 5.475 ( -3.674 9.348 0.071) 10.044 5.649 ( -3.977 -2.286 -3.245) 5.618 6.003 ( -1.885 -3.990 -0.363) 4.427 6.924 ( 26.918 -2.673 -8.723) 28.422 19.137 ( -0.758 -0.084 -0.074) 0.766 19.851 ( -0.199 0.047 -0.014) 0.205 37.460 ( 1.533 -0.017 1.502) 2.146 60.136 ( 9.163 2.508 8.096) 12.482 ======================= Grid point 805 (406/413) ======================= q-point: (-0.15 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -8.639 -1.582 27.252) 28.632 2.365 ( -11.744 -18.041 1.150) 21.558 3.129 ( -5.402 2.496 -7.264) 9.390 3.301 ( -0.563 1.207 -19.193) 19.239 3.559 ( -10.110 -8.077 -3.630) 13.440 4.286 ( -20.097 -6.612 4.236) 21.576 5.179 ( -3.826 -1.305 2.741) 4.884 5.275 ( -3.432 12.281 0.279) 12.755 5.601 ( -5.102 -2.129 -3.825) 6.722 6.050 ( -2.393 -7.008 0.122) 7.406 7.235 ( 21.811 -1.443 -12.897) 25.380 19.129 ( -0.660 -0.223 -0.100) 0.704 19.846 ( -0.377 0.061 -0.084) 0.391 37.487 ( 1.304 0.015 1.526) 2.007 60.260 ( 11.332 6.033 11.983) 17.561 ======================= Grid point 806 (407/413) ======================= q-point: (-0.08 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -4.919 -3.410 28.053) 28.684 2.502 ( -10.280 -22.274 1.242) 24.563 3.036 ( -4.650 -1.772 -0.171) 4.979 3.198 ( 3.588 3.051 -19.695) 20.250 3.463 ( -13.723 -6.158 -9.773) 17.937 4.214 ( -17.348 -13.608 11.911) 25.060 5.081 ( -0.725 11.578 0.789) 11.628 5.189 ( -0.877 -2.399 4.869) 5.498 5.541 ( -5.656 -2.486 -4.487) 7.635 6.121 ( -2.992 -8.267 0.549) 8.809 7.407 ( 13.886 2.036 -15.820) 21.148 19.126 ( -0.399 -0.428 -0.131) 0.600 19.839 ( -0.537 -0.004 -0.105) 0.547 37.504 ( 0.483 0.135 1.211) 1.311 60.380 ( 13.808 10.119 14.682) 22.552 ======================= Grid point 817 (408/413) ======================= q-point: (-0.23 -0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -13.881 -0.000 1.734) 13.989 2.117 ( -9.846 -0.000 27.305) 29.026 3.228 ( 1.641 0.000 -15.773) 15.858 3.269 ( -17.130 -0.000 -3.671) 17.519 3.412 ( -0.913 -0.000 -8.174) 8.225 4.193 ( -24.930 -0.000 2.865) 25.094 5.164 ( -3.570 -0.000 2.014) 4.099 5.516 ( -3.156 -0.000 1.098) 3.341 5.526 ( -6.066 -0.000 -4.989) 7.854 5.948 ( -1.899 -0.000 -0.606) 1.993 7.198 ( 23.624 0.000 -14.124) 27.524 19.126 ( -0.780 -0.000 -0.071) 0.783 19.847 ( -0.398 -0.000 -0.114) 0.414 37.487 ( 1.338 0.000 1.541) 2.041 60.348 ( 12.790 0.000 13.297) 18.450 ======================= Grid point 818 (409/413) ======================= q-point: (-0.15 -0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -14.052 -12.160 2.050) 18.695 2.135 ( -7.192 -1.330 28.061) 28.999 3.013 ( -14.950 0.317 -2.307) 15.130 3.229 ( -1.456 -2.399 -6.205) 6.810 3.347 ( 0.529 -0.615 -18.379) 18.397 3.917 ( -25.604 -6.382 11.399) 28.744 5.155 ( -0.101 -0.442 4.249) 4.273 5.362 ( -4.423 7.485 -1.686) 8.856 5.495 ( -4.240 -1.285 -2.375) 5.027 5.947 ( -2.048 -3.886 -0.291) 4.402 7.400 ( 16.026 -1.221 -19.714) 25.435 19.117 ( -0.696 -0.195 -0.086) 0.728 19.839 ( -0.629 0.015 -0.183) 0.655 37.506 ( 0.453 0.001 1.252) 1.331 60.591 ( 17.223 4.464 17.925) 25.256 ======================= Grid point 819 (410/413) ======================= q-point: (-0.08 -0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -12.144 -21.853 2.541) 25.129 2.217 ( -3.658 -3.917 24.342) 24.926 2.865 ( -11.238 -6.161 -1.115) 12.864 3.107 ( -17.114 -4.677 -6.942) 19.051 3.349 ( 13.174 5.393 -13.559) 19.659 3.826 ( -18.734 -13.380 18.887) 29.777 5.188 ( -2.000 4.068 3.331) 5.625 5.229 ( 3.566 2.976 2.665) 5.355 5.431 ( -4.252 -0.130 -4.230) 5.999 5.992 ( -1.942 -6.609 0.559) 6.911 7.465 ( 6.151 -0.713 -23.023) 23.841 19.113 ( -0.461 -0.502 -0.123) 0.693 19.829 ( -0.754 -0.055 -0.146) 0.770 37.511 ( -0.429 -0.005 1.024) 1.110 60.831 ( 20.664 10.615 19.524) 30.346 ======================= Grid point 831 (411/413) ======================= q-point: (-0.15 -0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -15.244 -0.000 2.779) 15.495 2.161 ( -5.479 -0.000 24.450) 25.056 2.764 ( -17.069 -0.000 -4.898) 17.758 3.046 ( -16.236 -0.000 -5.569) 17.165 3.407 ( 5.680 0.000 -12.942) 14.134 3.654 ( -9.107 -0.000 23.064) 24.797 5.197 ( 2.461 0.000 5.967) 6.454 5.322 ( -4.322 -0.000 -5.749) 7.193 5.450 ( -2.496 -0.000 1.261) 2.796 5.891 ( -1.922 -0.000 -0.615) 2.018 7.439 ( 6.314 0.000 -25.753) 26.515 19.105 ( -0.659 -0.000 -0.076) 0.663 19.828 ( -0.825 -0.000 -0.193) 0.847 37.510 ( -0.489 -0.000 1.028) 1.139 60.985 ( 23.195 0.000 21.180) 31.410 ======================= Grid point 832 (412/413) ======================= q-point: (-0.08 -0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -13.432 -15.623 3.531) 20.904 2.201 ( -4.917 -3.126 14.284) 15.427 2.578 ( -14.242 -7.139 -4.623) 16.589 2.785 ( -21.606 -3.742 -0.711) 21.939 3.363 ( -4.140 -3.700 1.312) 5.705 3.837 ( 14.362 3.605 18.797) 23.929 5.180 ( -4.649 0.744 -1.924) 5.086 5.335 ( 7.216 0.531 4.073) 8.303 5.405 ( -1.891 2.749 0.138) 3.340 5.895 ( -1.343 -4.512 -0.186) 4.711 7.341 ( -4.398 -2.029 -27.846) 28.264 19.100 ( -0.486 -0.376 -0.092) 0.621 19.817 ( -0.815 -0.068 -0.085) 0.822 37.506 ( -0.771 -0.035 1.043) 1.298 61.361 ( 25.579 7.542 19.421) 32.990 ======================= Grid point 845 (413/413) ======================= q-point: (-0.08 -0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -12.548 -0.000 4.713) 13.404 2.143 ( -5.944 -0.000 4.342) 7.361 2.329 ( -10.886 -0.000 -5.408) 12.155 2.426 ( -25.607 -0.000 3.346) 25.825 3.401 ( 8.375 0.000 11.433) 14.172 4.143 ( 10.891 0.000 13.218) 17.126 5.121 ( -0.972 -0.000 -2.899) 3.058 5.411 ( -1.224 -0.000 1.192) 1.708 5.481 ( 10.361 0.000 5.916) 11.931 5.840 ( -1.376 -0.000 -0.594) 1.499 7.070 ( -13.861 -0.000 -27.391) 30.698 19.091 ( -0.383 -0.000 -0.070) 0.389 19.806 ( -0.644 -0.000 0.033) 0.645 37.502 ( -0.335 -0.000 1.033) 1.086 61.834 ( 24.228 0.000 13.849) 27.907 =================== 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 3/22815 10.0 279.072 251.943 270.752 0.000 69.286 0.000 3/22815 20.0 121.468 109.398 121.100 0.000 29.131 0.000 3/22815 30.0 57.664 53.564 58.080 0.000 12.010 0.000 3/22815 40.0 33.731 31.448 33.658 0.000 5.985 0.000 3/22815 50.0 23.019 21.270 22.962 0.000 3.604 0.000 3/22815 60.0 17.357 15.874 17.404 0.000 2.492 0.000 3/22815 70.0 13.953 12.652 14.078 0.000 1.888 0.000 3/22815 80.0 11.702 10.543 11.875 0.000 1.522 0.000 3/22815 90.0 10.113 9.063 10.320 0.000 1.287 0.000 3/22815 100.0 8.966 7.969 9.232 0.000 1.166 0.000 3/22815 110.0 8.216 7.135 8.678 0.000 1.238 0.000 3/22815 120.0 8.002 6.499 9.041 0.000 1.739 0.000 3/22815 130.0 8.685 6.044 11.136 0.000 3.125 0.000 3/22815 140.0 10.875 5.786 16.289 0.000 6.123 0.000 3/22815 150.0 15.430 5.770 26.341 0.000 11.731 0.000 3/22815 160.0 23.416 6.063 43.564 0.000 21.171 0.000 3/22815 170.0 36.025 6.743 70.508 0.000 35.814 0.000 3/22815 180.0 54.495 7.898 109.812 0.000 57.074 0.000 3/22815 190.0 80.010 9.609 164.013 0.000 86.305 0.000 3/22815 200.0 113.630 11.953 235.380 0.000 124.716 0.000 3/22815 210.0 156.226 14.992 325.789 0.000 173.305 0.000 3/22815 220.0 208.446 18.771 436.641 0.000 232.814 0.000 3/22815 230.0 270.700 23.319 568.833 0.000 303.713 0.000 3/22815 240.0 343.161 28.647 722.756 0.000 386.201 0.000 3/22815 250.0 425.779 34.751 898.326 0.000 480.228 0.000 3/22815 260.0 518.310 41.609 1095.041 0.000 585.518 0.000 3/22815 270.0 620.340 49.191 1312.041 0.000 701.602 0.000 3/22815 280.0 731.320 57.454 1548.172 0.000 827.861 0.000 3/22815 290.0 850.600 66.348 1802.060 0.000 963.556 0.000 3/22815 300.0 977.455 75.818 2072.173 0.000 1107.865 0.000 3/22815 310.0 1111.114 85.805 2356.873 0.000 1259.913 0.000 3/22815 320.0 1250.782 96.249 2654.475 0.000 1418.796 0.000 3/22815 330.0 1395.662 107.090 2963.280 0.000 1583.609 0.000 3/22815 340.0 1544.969 118.269 3281.618 0.000 1753.460 0.000 3/22815 350.0 1697.941 129.726 3607.867 0.000 1927.485 0.000 3/22815 360.0 1853.855 141.409 3940.479 0.000 2104.859 0.000 3/22815 370.0 2012.025 153.264 4277.994 0.000 2284.803 0.000 3/22815 380.0 2171.815 165.244 4619.047 0.000 2466.593 0.000 3/22815 390.0 2332.633 177.304 4962.377 0.000 2649.558 0.000 3/22815 400.0 2493.942 189.403 5306.830 0.000 2833.085 0.000 3/22815 410.0 2655.250 201.505 5651.356 0.000 3016.616 0.000 3/22815 420.0 2816.117 213.576 5995.008 0.000 3199.648 0.000 3/22815 430.0 2976.149 225.585 6336.939 0.000 3381.733 0.000 3/22815 440.0 3134.995 237.508 6676.400 0.000 3562.474 0.000 3/22815 450.0 3292.348 249.319 7012.728 0.000 3741.519 0.000 3/22815 460.0 3447.940 261.000 7345.346 0.000 3918.565 0.000 3/22815 470.0 3601.539 272.532 7673.756 0.000 4093.346 0.000 3/22815 480.0 3752.947 283.901 7997.529 0.000 4265.637 0.000 3/22815 490.0 3901.996 295.093 8316.303 0.000 4435.247 0.000 3/22815 500.0 4048.547 306.099 8629.777 0.000 4602.017 0.000 3/22815 510.0 4192.485 316.909 8937.703 0.000 4765.817 0.000 3/22815 520.0 4333.719 327.517 9239.881 0.000 4926.542 0.000 3/22815 530.0 4472.178 337.917 9536.155 0.000 5084.112 0.000 3/22815 540.0 4607.808 348.105 9826.411 0.000 5238.465 0.000 3/22815 550.0 4740.573 358.078 10110.565 0.000 5389.559 0.000 3/22815 560.0 4870.450 367.834 10388.567 0.000 5537.369 0.000 3/22815 570.0 4997.429 377.374 10660.394 0.000 5681.884 0.000 3/22815 580.0 5121.512 386.696 10926.045 0.000 5823.103 0.000 3/22815 590.0 5242.709 395.802 11185.540 0.000 5961.040 0.000 3/22815 600.0 5361.038 404.692 11438.920 0.000 6095.716 0.000 3/22815 610.0 5476.527 413.369 11686.238 0.000 6227.160 0.000 3/22815 620.0 5589.208 421.836 11927.561 0.000 6355.409 0.000 3/22815 630.0 5699.118 430.095 12162.968 0.000 6480.506 0.000 3/22815 640.0 5806.299 438.148 12392.548 0.000 6602.499 0.000 3/22815 650.0 5910.797 446.001 12616.397 0.000 6721.440 0.000 3/22815 660.0 6012.661 453.655 12834.618 0.000 6837.383 0.000 3/22815 670.0 6111.941 461.116 13047.319 0.000 6950.387 0.000 3/22815 680.0 6208.691 468.386 13254.612 0.000 7060.512 0.000 3/22815 690.0 6302.965 475.470 13456.613 0.000 7167.819 0.000 3/22815 700.0 6394.819 482.373 13653.439 0.000 7272.373 0.000 3/22815 710.0 6484.309 489.098 13845.210 0.000 7374.237 0.000 3/22815 720.0 6571.491 495.650 14032.046 0.000 7473.474 0.000 3/22815 730.0 6656.422 502.033 14214.068 0.000 7570.151 0.000 3/22815 740.0 6739.159 508.251 14391.397 0.000 7664.330 0.000 3/22815 750.0 6819.758 514.308 14564.152 0.000 7756.077 0.000 3/22815 760.0 6898.275 520.208 14732.453 0.000 7845.455 0.000 3/22815 770.0 6974.765 525.957 14896.417 0.000 7932.526 0.000 3/22815 780.0 7049.283 531.557 15056.161 0.000 8017.353 0.000 3/22815 790.0 7121.883 537.013 15211.799 0.000 8099.996 0.000 3/22815 800.0 7192.617 542.329 15363.444 0.000 8180.517 0.000 3/22815 810.0 7261.537 547.509 15511.206 0.000 8258.973 0.000 3/22815 820.0 7328.695 552.556 15655.194 0.000 8335.423 0.000 3/22815 830.0 7394.139 557.474 15795.515 0.000 8409.923 0.000 3/22815 840.0 7457.918 562.268 15932.271 0.000 8482.529 0.000 3/22815 850.0 7520.081 566.939 16065.565 0.000 8553.294 0.000 3/22815 860.0 7580.672 571.493 16195.494 0.000 8622.271 0.000 3/22815 870.0 7639.738 575.932 16322.156 0.000 8689.512 0.000 3/22815 880.0 7697.322 580.260 16445.645 0.000 8755.066 0.000 3/22815 890.0 7753.467 584.479 16566.051 0.000 8818.983 0.000 3/22815 900.0 7808.214 588.593 16683.465 0.000 8881.309 0.000 3/22815 910.0 7861.605 592.606 16797.971 0.000 8942.091 0.000 3/22815 920.0 7913.678 596.519 16909.656 0.000 9001.373 0.000 3/22815 930.0 7964.472 600.336 17018.599 0.000 9059.199 0.000 3/22815 940.0 8014.024 604.060 17124.881 0.000 9115.611 0.000 3/22815 950.0 8062.369 607.693 17228.578 0.000 9170.650 0.000 3/22815 960.0 8109.543 611.238 17329.765 0.000 9224.355 0.000 3/22815 970.0 8155.579 614.698 17428.515 0.000 9276.766 0.000 3/22815 980.0 8200.511 618.074 17524.898 0.000 9327.920 0.000 3/22815 990.0 8244.370 621.370 17618.982 0.000 9377.852 0.000 3/22815 1000.0 8287.187 624.588 17710.833 0.000 9426.599 0.000 3/22815 Thermal conductivity related properties were written into "kappa-m13139.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:44:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|