----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:58:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.684913980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774852870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.488909440000000 Atomic positions (fractional): *1 Na 0.44344659538797 0.18495357373084 0.50000000000000 22.990 2 Na 0.05655340461203 0.68495357373084 0.50000000000000 22.990 3 Na 0.94344659538797 0.31504642626916 0.50000000000000 22.990 4 Na 0.55655340461203 0.81504642626916 0.50000000000000 22.990 *5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 6 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 *7 O 0.35336865250227 0.67835432881645 0.00000000000000 15.999 *8 O 0.29114497748956 0.44680115165655 0.50000000000000 15.999 9 O 0.85336865250227 0.82164567118355 0.00000000000000 15.999 10 O 0.70885502251044 0.55319884834345 0.50000000000000 15.999 11 O 0.64663134749773 0.32164567118355 0.00000000000000 15.999 12 O 0.20885502251044 0.94680115165655 0.50000000000000 15.999 13 O 0.14663134749773 0.17835432881645 0.00000000000000 15.999 14 O 0.79114497748956 0.05319884834345 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.684913980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774852870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.488909440000000 Atomic positions (fractional): *1 Na 0.44344659538797 0.18495357373084 0.50000000000000 22.990 > 1 2 Na 0.05655340461203 0.68495357373084 0.50000000000000 22.990 > 2 3 Na 0.94344659538797 0.31504642626916 0.50000000000000 22.990 > 3 4 Na 0.55655340461203 0.81504642626916 0.50000000000000 22.990 > 4 *5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 5 6 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 6 *7 O 0.35336865250227 0.67835432881645 0.00000000000000 15.999 > 7 *8 O 0.29114497748956 0.44680115165655 0.50000000000000 15.999 > 8 9 O 0.85336865250227 0.82164567118355 0.00000000000000 15.999 > 9 10 O 0.70885502251044 0.55319884834345 0.50000000000000 15.999 > 10 11 O 0.64663134749773 0.32164567118355 0.00000000000000 15.999 > 11 12 O 0.20885502251044 0.94680115165655 0.50000000000000 15.999 > 12 13 O 0.14663134749773 0.17835432881645 0.00000000000000 15.999 > 13 14 O 0.79114497748956 0.05319884834345 0.50000000000000 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.369827960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774852870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.466728320000000 Atomic positions (fractional): *1 Na 0.22172329769399 0.18495357373084 0.16666666666667 22.990 > 1 2 Na 0.72172329769399 0.18495357373084 0.16666666666667 22.990 > 1 3 Na 0.22172329769399 0.18495357373084 0.50000000000000 22.990 > 1 4 Na 0.72172329769399 0.18495357373084 0.50000000000000 22.990 > 1 5 Na 0.22172329769399 0.18495357373084 0.83333333333333 22.990 > 1 6 Na 0.72172329769399 0.18495357373084 0.83333333333333 22.990 > 1 7 Na 0.02827670230601 0.68495357373084 0.16666666666667 22.990 > 2 8 Na 0.52827670230601 0.68495357373084 0.16666666666667 22.990 > 2 9 Na 0.02827670230601 0.68495357373084 0.50000000000000 22.990 > 2 10 Na 0.52827670230601 0.68495357373084 0.50000000000000 22.990 > 2 11 Na 0.02827670230601 0.68495357373084 0.83333333333333 22.990 > 2 12 Na 0.52827670230601 0.68495357373084 0.83333333333333 22.990 > 2 13 Na 0.47172329769399 0.31504642626916 0.16666666666667 22.990 > 3 14 Na 0.97172329769399 0.31504642626916 0.16666666666667 22.990 > 3 15 Na 0.47172329769399 0.31504642626916 0.50000000000000 22.990 > 3 16 Na 0.97172329769399 0.31504642626916 0.50000000000000 22.990 > 3 17 Na 0.47172329769399 0.31504642626916 0.83333333333333 22.990 > 3 18 Na 0.97172329769399 0.31504642626916 0.83333333333333 22.990 > 3 19 Na 0.27827670230601 0.81504642626916 0.16666666666667 22.990 > 4 20 Na 0.77827670230601 0.81504642626916 0.16666666666667 22.990 > 4 21 Na 0.27827670230601 0.81504642626916 0.50000000000000 22.990 > 4 22 Na 0.77827670230601 0.81504642626916 0.50000000000000 22.990 > 4 23 Na 0.27827670230601 0.81504642626916 0.83333333333333 22.990 > 4 24 Na 0.77827670230601 0.81504642626916 0.83333333333333 22.990 > 4 *25 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 5 26 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 5 27 U 0.00000000000000 0.00000000000000 0.33333333333333 238.029 > 5 28 U 0.50000000000000 0.00000000000000 0.33333333333333 238.029 > 5 29 U 0.00000000000000 0.00000000000000 0.66666666666667 238.029 > 5 30 U 0.50000000000000 0.00000000000000 0.66666666666667 238.029 > 5 31 U 0.25000000000000 0.50000000000000 0.00000000000000 238.029 > 6 32 U 0.75000000000000 0.50000000000000 0.00000000000000 238.029 > 6 33 U 0.25000000000000 0.50000000000000 0.33333333333333 238.029 > 6 34 U 0.75000000000000 0.50000000000000 0.33333333333333 238.029 > 6 35 U 0.25000000000000 0.50000000000000 0.66666666666667 238.029 > 6 36 U 0.75000000000000 0.50000000000000 0.66666666666667 238.029 > 6 *37 O 0.17668432625114 0.67835432881645 0.00000000000000 15.999 > 7 38 O 0.67668432625114 0.67835432881645 0.00000000000000 15.999 > 7 39 O 0.17668432625114 0.67835432881645 0.33333333333333 15.999 > 7 40 O 0.67668432625114 0.67835432881645 0.33333333333333 15.999 > 7 41 O 0.17668432625114 0.67835432881645 0.66666666666667 15.999 > 7 42 O 0.67668432625114 0.67835432881645 0.66666666666667 15.999 > 7 *43 O 0.14557248874478 0.44680115165655 0.16666666666667 15.999 > 8 44 O 0.64557248874478 0.44680115165655 0.16666666666667 15.999 > 8 45 O 0.14557248874478 0.44680115165655 0.50000000000000 15.999 > 8 46 O 0.64557248874478 0.44680115165655 0.50000000000000 15.999 > 8 47 O 0.14557248874478 0.44680115165655 0.83333333333333 15.999 > 8 48 O 0.64557248874478 0.44680115165655 0.83333333333333 15.999 > 8 49 O 0.42668432625114 0.82164567118355 0.00000000000000 15.999 > 9 50 O 0.92668432625114 0.82164567118355 0.00000000000000 15.999 > 9 51 O 0.42668432625114 0.82164567118355 0.33333333333333 15.999 > 9 52 O 0.92668432625114 0.82164567118355 0.33333333333333 15.999 > 9 53 O 0.42668432625114 0.82164567118355 0.66666666666667 15.999 > 9 54 O 0.92668432625114 0.82164567118355 0.66666666666667 15.999 > 9 55 O 0.35442751125522 0.55319884834345 0.16666666666667 15.999 > 10 56 O 0.85442751125522 0.55319884834345 0.16666666666667 15.999 > 10 57 O 0.35442751125522 0.55319884834345 0.50000000000000 15.999 > 10 58 O 0.85442751125522 0.55319884834345 0.50000000000000 15.999 > 10 59 O 0.35442751125522 0.55319884834345 0.83333333333333 15.999 > 10 60 O 0.85442751125522 0.55319884834345 0.83333333333333 15.999 > 10 61 O 0.32331567374886 0.32164567118355 0.00000000000000 15.999 > 11 62 O 0.82331567374886 0.32164567118355 0.00000000000000 15.999 > 11 63 O 0.32331567374886 0.32164567118355 0.33333333333333 15.999 > 11 64 O 0.82331567374886 0.32164567118355 0.33333333333333 15.999 > 11 65 O 0.32331567374886 0.32164567118355 0.66666666666667 15.999 > 11 66 O 0.82331567374886 0.32164567118355 0.66666666666667 15.999 > 11 67 O 0.10442751125522 0.94680115165655 0.16666666666667 15.999 > 12 68 O 0.60442751125522 0.94680115165655 0.16666666666667 15.999 > 12 69 O 0.10442751125522 0.94680115165655 0.50000000000000 15.999 > 12 70 O 0.60442751125522 0.94680115165655 0.50000000000000 15.999 > 12 71 O 0.10442751125522 0.94680115165655 0.83333333333333 15.999 > 12 72 O 0.60442751125522 0.94680115165655 0.83333333333333 15.999 > 12 73 O 0.07331567374886 0.17835432881645 0.00000000000000 15.999 > 13 74 O 0.57331567374886 0.17835432881645 0.00000000000000 15.999 > 13 75 O 0.07331567374886 0.17835432881645 0.33333333333333 15.999 > 13 76 O 0.57331567374886 0.17835432881645 0.33333333333333 15.999 > 13 77 O 0.07331567374886 0.17835432881645 0.66666666666667 15.999 > 13 78 O 0.57331567374886 0.17835432881645 0.66666666666667 15.999 > 13 79 O 0.39557248874478 0.05319884834345 0.16666666666667 15.999 > 14 80 O 0.89557248874478 0.05319884834345 0.16666666666667 15.999 > 14 81 O 0.39557248874478 0.05319884834345 0.50000000000000 15.999 > 14 82 O 0.89557248874478 0.05319884834345 0.50000000000000 15.999 > 14 83 O 0.39557248874478 0.05319884834345 0.83333333333333 15.999 > 14 84 O 0.89557248874478 0.05319884834345 0.83333333333333 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9545344 0.0000000 0.0000000 0.0000000 3.5381755 0.0000000 0.0000000 0.0000000 5.0021033 -------------------------- Born effective charges -------------------------- 1 Na 1.1879677 0.0521522 0.0000000 0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 2 Na 1.1879677 -0.0521522 0.0000000 -0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 3 Na 1.1879677 -0.0521522 0.0000000 -0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 4 Na 1.1879677 0.0521522 0.0000000 0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 5 U 3.0462156 0.5144844 0.0000000 0.5935028 4.8856755 0.0000000 0.0000000 0.0000000 8.0807761 6 U 3.0462156 -0.5144844 0.0000000 -0.5935028 4.8856755 0.0000000 0.0000000 0.0000000 8.0807761 7 O -1.1880509 0.8079570 0.0000000 0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 8 O -1.5230246 -0.4393671 0.0000000 -0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 9 O -1.1880509 -0.8079570 0.0000000 -0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 10 O -1.5230246 -0.4393671 0.0000000 -0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 11 O -1.1880509 0.8079570 0.0000000 0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 12 O -1.5230246 0.4393671 0.0000000 0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 13 O -1.1880509 -0.8079570 0.0000000 -0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 14 O -1.5230246 0.4393671 0.0000000 0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 97 Use standard eigh solver. Tree of FC basis block matrices: - (752, 732), data: False |-- (97, 97), data: True |-- (97, 97), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (198, 190), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.405 Solver_block: 200 / 240 - Time: 0.410 Solver_block: 240 / 240 - Time: 0.186 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.013 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 97 Use standard eigh solver. Tree of FC basis block matrices: - (752, 732), data: False |-- (97, 97), data: True |-- (97, 97), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (198, 190), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:58:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:58:26]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.684913980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774852870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.488909440000000 Atomic positions (fractional): 1 Na 0.44344659538797 0.18495357373084 0.50000000000000 22.990 2 Na 0.05655340461203 0.68495357373084 0.50000000000000 22.990 3 Na 0.94344659538797 0.31504642626916 0.50000000000000 22.990 4 Na 0.55655340461203 0.81504642626916 0.50000000000000 22.990 5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 6 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 7 O 0.35336865250227 0.67835432881645 0.00000000000000 15.999 8 O 0.29114497748956 0.44680115165655 0.50000000000000 15.999 9 O 0.85336865250227 0.82164567118355 0.00000000000000 15.999 10 O 0.70885502251044 0.55319884834345 0.50000000000000 15.999 11 O 0.64663134749773 0.32164567118355 0.00000000000000 15.999 12 O 0.20885502251044 0.94680115165655 0.50000000000000 15.999 13 O 0.14663134749773 0.17835432881645 0.00000000000000 15.999 14 O 0.79114497748956 0.05319884834345 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.369827960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774852870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.466728320000000 Atomic positions (fractional): 1 Na 0.22172329769399 0.18495357373084 0.16666666666667 22.990 > 1 2 Na 0.72172329769399 0.18495357373084 0.16666666666667 22.990 > 1 3 Na 0.22172329769399 0.18495357373084 0.50000000000000 22.990 > 1 4 Na 0.72172329769399 0.18495357373084 0.50000000000000 22.990 > 1 5 Na 0.22172329769399 0.18495357373084 0.83333333333333 22.990 > 1 6 Na 0.72172329769399 0.18495357373084 0.83333333333333 22.990 > 1 7 Na 0.02827670230601 0.68495357373084 0.16666666666667 22.990 > 7 8 Na 0.52827670230601 0.68495357373084 0.16666666666667 22.990 > 7 9 Na 0.02827670230601 0.68495357373084 0.50000000000000 22.990 > 7 10 Na 0.52827670230601 0.68495357373084 0.50000000000000 22.990 > 7 11 Na 0.02827670230601 0.68495357373084 0.83333333333333 22.990 > 7 12 Na 0.52827670230601 0.68495357373084 0.83333333333333 22.990 > 7 13 Na 0.47172329769399 0.31504642626916 0.16666666666667 22.990 > 13 14 Na 0.97172329769399 0.31504642626916 0.16666666666667 22.990 > 13 15 Na 0.47172329769399 0.31504642626916 0.50000000000000 22.990 > 13 16 Na 0.97172329769399 0.31504642626916 0.50000000000000 22.990 > 13 17 Na 0.47172329769399 0.31504642626916 0.83333333333333 22.990 > 13 18 Na 0.97172329769399 0.31504642626916 0.83333333333333 22.990 > 13 19 Na 0.27827670230601 0.81504642626916 0.16666666666667 22.990 > 19 20 Na 0.77827670230601 0.81504642626916 0.16666666666667 22.990 > 19 21 Na 0.27827670230601 0.81504642626916 0.50000000000000 22.990 > 19 22 Na 0.77827670230601 0.81504642626916 0.50000000000000 22.990 > 19 23 Na 0.27827670230601 0.81504642626916 0.83333333333333 22.990 > 19 24 Na 0.77827670230601 0.81504642626916 0.83333333333333 22.990 > 19 25 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 25 26 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 25 27 U 0.00000000000000 0.00000000000000 0.33333333333333 238.029 > 25 28 U 0.50000000000000 0.00000000000000 0.33333333333333 238.029 > 25 29 U 0.00000000000000 0.00000000000000 0.66666666666667 238.029 > 25 30 U 0.50000000000000 0.00000000000000 0.66666666666667 238.029 > 25 31 U 0.25000000000000 0.50000000000000 0.00000000000000 238.029 > 31 32 U 0.75000000000000 0.50000000000000 0.00000000000000 238.029 > 31 33 U 0.25000000000000 0.50000000000000 0.33333333333333 238.029 > 31 34 U 0.75000000000000 0.50000000000000 0.33333333333333 238.029 > 31 35 U 0.25000000000000 0.50000000000000 0.66666666666667 238.029 > 31 36 U 0.75000000000000 0.50000000000000 0.66666666666667 238.029 > 31 37 O 0.17668432625114 0.67835432881645 0.00000000000000 15.999 > 37 38 O 0.67668432625114 0.67835432881645 0.00000000000000 15.999 > 37 39 O 0.17668432625114 0.67835432881645 0.33333333333333 15.999 > 37 40 O 0.67668432625114 0.67835432881645 0.33333333333333 15.999 > 37 41 O 0.17668432625114 0.67835432881645 0.66666666666667 15.999 > 37 42 O 0.67668432625114 0.67835432881645 0.66666666666667 15.999 > 37 43 O 0.14557248874478 0.44680115165655 0.16666666666667 15.999 > 43 44 O 0.64557248874478 0.44680115165655 0.16666666666667 15.999 > 43 45 O 0.14557248874478 0.44680115165655 0.50000000000000 15.999 > 43 46 O 0.64557248874478 0.44680115165655 0.50000000000000 15.999 > 43 47 O 0.14557248874478 0.44680115165655 0.83333333333333 15.999 > 43 48 O 0.64557248874478 0.44680115165655 0.83333333333333 15.999 > 43 49 O 0.42668432625114 0.82164567118355 0.00000000000000 15.999 > 49 50 O 0.92668432625114 0.82164567118355 0.00000000000000 15.999 > 49 51 O 0.42668432625114 0.82164567118355 0.33333333333333 15.999 > 49 52 O 0.92668432625114 0.82164567118355 0.33333333333333 15.999 > 49 53 O 0.42668432625114 0.82164567118355 0.66666666666667 15.999 > 49 54 O 0.92668432625114 0.82164567118355 0.66666666666667 15.999 > 49 55 O 0.35442751125522 0.55319884834345 0.16666666666667 15.999 > 55 56 O 0.85442751125522 0.55319884834345 0.16666666666667 15.999 > 55 57 O 0.35442751125522 0.55319884834345 0.50000000000000 15.999 > 55 58 O 0.85442751125522 0.55319884834345 0.50000000000000 15.999 > 55 59 O 0.35442751125522 0.55319884834345 0.83333333333333 15.999 > 55 60 O 0.85442751125522 0.55319884834345 0.83333333333333 15.999 > 55 61 O 0.32331567374886 0.32164567118355 0.00000000000000 15.999 > 61 62 O 0.82331567374886 0.32164567118355 0.00000000000000 15.999 > 61 63 O 0.32331567374886 0.32164567118355 0.33333333333333 15.999 > 61 64 O 0.82331567374886 0.32164567118355 0.33333333333333 15.999 > 61 65 O 0.32331567374886 0.32164567118355 0.66666666666667 15.999 > 61 66 O 0.82331567374886 0.32164567118355 0.66666666666667 15.999 > 61 67 O 0.10442751125522 0.94680115165655 0.16666666666667 15.999 > 67 68 O 0.60442751125522 0.94680115165655 0.16666666666667 15.999 > 67 69 O 0.10442751125522 0.94680115165655 0.50000000000000 15.999 > 67 70 O 0.60442751125522 0.94680115165655 0.50000000000000 15.999 > 67 71 O 0.10442751125522 0.94680115165655 0.83333333333333 15.999 > 67 72 O 0.60442751125522 0.94680115165655 0.83333333333333 15.999 > 67 73 O 0.07331567374886 0.17835432881645 0.00000000000000 15.999 > 73 74 O 0.57331567374886 0.17835432881645 0.00000000000000 15.999 > 73 75 O 0.07331567374886 0.17835432881645 0.33333333333333 15.999 > 73 76 O 0.57331567374886 0.17835432881645 0.33333333333333 15.999 > 73 77 O 0.07331567374886 0.17835432881645 0.66666666666667 15.999 > 73 78 O 0.57331567374886 0.17835432881645 0.66666666666667 15.999 > 73 79 O 0.39557248874478 0.05319884834345 0.16666666666667 15.999 > 79 80 O 0.89557248874478 0.05319884834345 0.16666666666667 15.999 > 79 81 O 0.39557248874478 0.05319884834345 0.50000000000000 15.999 > 79 82 O 0.89557248874478 0.05319884834345 0.50000000000000 15.999 > 79 83 O 0.39557248874478 0.05319884834345 0.83333333333333 15.999 > 79 84 O 0.89557248874478 0.05319884834345 0.83333333333333 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9545344 0.0000000 0.0000000 0.0000000 3.5381755 0.0000000 0.0000000 0.0000000 5.0021033 -------------------------- Born effective charges -------------------------- 1 Na 1.1879677 0.0521522 0.0000000 0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 2 Na 1.1879677 -0.0521522 0.0000000 -0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 3 Na 1.1879677 -0.0521522 0.0000000 -0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 4 Na 1.1879677 0.0521522 0.0000000 0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 5 U 3.0462156 0.5144844 0.0000000 0.5935028 4.8856755 0.0000000 0.0000000 0.0000000 8.0807761 6 U 3.0462156 -0.5144844 0.0000000 -0.5935028 4.8856755 0.0000000 0.0000000 0.0000000 8.0807761 7 O -1.1880509 0.8079570 0.0000000 0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 8 O -1.5230246 -0.4393671 0.0000000 -0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 9 O -1.1880509 -0.8079570 0.0000000 -0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 10 O -1.5230246 -0.4393671 0.0000000 -0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 11 O -1.1880509 0.8079570 0.0000000 0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 12 O -1.5230246 0.4393671 0.0000000 0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 13 O -1.1880509 -0.8079570 0.0000000 -0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 14 O -1.5230246 0.4393671 0.0000000 0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:58:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:58:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.684913980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774852870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.488909440000000 Atomic positions (fractional): 1 Na 0.44344659538797 0.18495357373084 0.50000000000000 22.990 2 Na 0.05655340461203 0.68495357373084 0.50000000000000 22.990 3 Na 0.94344659538797 0.31504642626916 0.50000000000000 22.990 4 Na 0.55655340461203 0.81504642626916 0.50000000000000 22.990 5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 6 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 7 O 0.35336865250227 0.67835432881645 0.00000000000000 15.999 8 O 0.29114497748956 0.44680115165655 0.50000000000000 15.999 9 O 0.85336865250227 0.82164567118355 0.00000000000000 15.999 10 O 0.70885502251044 0.55319884834345 0.50000000000000 15.999 11 O 0.64663134749773 0.32164567118355 0.00000000000000 15.999 12 O 0.20885502251044 0.94680115165655 0.50000000000000 15.999 13 O 0.14663134749773 0.17835432881645 0.00000000000000 15.999 14 O 0.79114497748956 0.05319884834345 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.369827960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774852870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.466728320000000 Atomic positions (fractional): 1 Na 0.22172329769399 0.18495357373084 0.16666666666667 22.990 > 1 2 Na 0.72172329769399 0.18495357373084 0.16666666666667 22.990 > 1 3 Na 0.22172329769399 0.18495357373084 0.50000000000000 22.990 > 1 4 Na 0.72172329769399 0.18495357373084 0.50000000000000 22.990 > 1 5 Na 0.22172329769399 0.18495357373084 0.83333333333333 22.990 > 1 6 Na 0.72172329769399 0.18495357373084 0.83333333333333 22.990 > 1 7 Na 0.02827670230601 0.68495357373084 0.16666666666667 22.990 > 7 8 Na 0.52827670230601 0.68495357373084 0.16666666666667 22.990 > 7 9 Na 0.02827670230601 0.68495357373084 0.50000000000000 22.990 > 7 10 Na 0.52827670230601 0.68495357373084 0.50000000000000 22.990 > 7 11 Na 0.02827670230601 0.68495357373084 0.83333333333333 22.990 > 7 12 Na 0.52827670230601 0.68495357373084 0.83333333333333 22.990 > 7 13 Na 0.47172329769399 0.31504642626916 0.16666666666667 22.990 > 13 14 Na 0.97172329769399 0.31504642626916 0.16666666666667 22.990 > 13 15 Na 0.47172329769399 0.31504642626916 0.50000000000000 22.990 > 13 16 Na 0.97172329769399 0.31504642626916 0.50000000000000 22.990 > 13 17 Na 0.47172329769399 0.31504642626916 0.83333333333333 22.990 > 13 18 Na 0.97172329769399 0.31504642626916 0.83333333333333 22.990 > 13 19 Na 0.27827670230601 0.81504642626916 0.16666666666667 22.990 > 19 20 Na 0.77827670230601 0.81504642626916 0.16666666666667 22.990 > 19 21 Na 0.27827670230601 0.81504642626916 0.50000000000000 22.990 > 19 22 Na 0.77827670230601 0.81504642626916 0.50000000000000 22.990 > 19 23 Na 0.27827670230601 0.81504642626916 0.83333333333333 22.990 > 19 24 Na 0.77827670230601 0.81504642626916 0.83333333333333 22.990 > 19 25 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 25 26 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 25 27 U 0.00000000000000 0.00000000000000 0.33333333333333 238.029 > 25 28 U 0.50000000000000 0.00000000000000 0.33333333333333 238.029 > 25 29 U 0.00000000000000 0.00000000000000 0.66666666666667 238.029 > 25 30 U 0.50000000000000 0.00000000000000 0.66666666666667 238.029 > 25 31 U 0.25000000000000 0.50000000000000 0.00000000000000 238.029 > 31 32 U 0.75000000000000 0.50000000000000 0.00000000000000 238.029 > 31 33 U 0.25000000000000 0.50000000000000 0.33333333333333 238.029 > 31 34 U 0.75000000000000 0.50000000000000 0.33333333333333 238.029 > 31 35 U 0.25000000000000 0.50000000000000 0.66666666666667 238.029 > 31 36 U 0.75000000000000 0.50000000000000 0.66666666666667 238.029 > 31 37 O 0.17668432625114 0.67835432881645 0.00000000000000 15.999 > 37 38 O 0.67668432625114 0.67835432881645 0.00000000000000 15.999 > 37 39 O 0.17668432625114 0.67835432881645 0.33333333333333 15.999 > 37 40 O 0.67668432625114 0.67835432881645 0.33333333333333 15.999 > 37 41 O 0.17668432625114 0.67835432881645 0.66666666666667 15.999 > 37 42 O 0.67668432625114 0.67835432881645 0.66666666666667 15.999 > 37 43 O 0.14557248874478 0.44680115165655 0.16666666666667 15.999 > 43 44 O 0.64557248874478 0.44680115165655 0.16666666666667 15.999 > 43 45 O 0.14557248874478 0.44680115165655 0.50000000000000 15.999 > 43 46 O 0.64557248874478 0.44680115165655 0.50000000000000 15.999 > 43 47 O 0.14557248874478 0.44680115165655 0.83333333333333 15.999 > 43 48 O 0.64557248874478 0.44680115165655 0.83333333333333 15.999 > 43 49 O 0.42668432625114 0.82164567118355 0.00000000000000 15.999 > 49 50 O 0.92668432625114 0.82164567118355 0.00000000000000 15.999 > 49 51 O 0.42668432625114 0.82164567118355 0.33333333333333 15.999 > 49 52 O 0.92668432625114 0.82164567118355 0.33333333333333 15.999 > 49 53 O 0.42668432625114 0.82164567118355 0.66666666666667 15.999 > 49 54 O 0.92668432625114 0.82164567118355 0.66666666666667 15.999 > 49 55 O 0.35442751125522 0.55319884834345 0.16666666666667 15.999 > 55 56 O 0.85442751125522 0.55319884834345 0.16666666666667 15.999 > 55 57 O 0.35442751125522 0.55319884834345 0.50000000000000 15.999 > 55 58 O 0.85442751125522 0.55319884834345 0.50000000000000 15.999 > 55 59 O 0.35442751125522 0.55319884834345 0.83333333333333 15.999 > 55 60 O 0.85442751125522 0.55319884834345 0.83333333333333 15.999 > 55 61 O 0.32331567374886 0.32164567118355 0.00000000000000 15.999 > 61 62 O 0.82331567374886 0.32164567118355 0.00000000000000 15.999 > 61 63 O 0.32331567374886 0.32164567118355 0.33333333333333 15.999 > 61 64 O 0.82331567374886 0.32164567118355 0.33333333333333 15.999 > 61 65 O 0.32331567374886 0.32164567118355 0.66666666666667 15.999 > 61 66 O 0.82331567374886 0.32164567118355 0.66666666666667 15.999 > 61 67 O 0.10442751125522 0.94680115165655 0.16666666666667 15.999 > 67 68 O 0.60442751125522 0.94680115165655 0.16666666666667 15.999 > 67 69 O 0.10442751125522 0.94680115165655 0.50000000000000 15.999 > 67 70 O 0.60442751125522 0.94680115165655 0.50000000000000 15.999 > 67 71 O 0.10442751125522 0.94680115165655 0.83333333333333 15.999 > 67 72 O 0.60442751125522 0.94680115165655 0.83333333333333 15.999 > 67 73 O 0.07331567374886 0.17835432881645 0.00000000000000 15.999 > 73 74 O 0.57331567374886 0.17835432881645 0.00000000000000 15.999 > 73 75 O 0.07331567374886 0.17835432881645 0.33333333333333 15.999 > 73 76 O 0.57331567374886 0.17835432881645 0.33333333333333 15.999 > 73 77 O 0.07331567374886 0.17835432881645 0.66666666666667 15.999 > 73 78 O 0.57331567374886 0.17835432881645 0.66666666666667 15.999 > 73 79 O 0.39557248874478 0.05319884834345 0.16666666666667 15.999 > 79 80 O 0.89557248874478 0.05319884834345 0.16666666666667 15.999 > 79 81 O 0.39557248874478 0.05319884834345 0.50000000000000 15.999 > 79 82 O 0.89557248874478 0.05319884834345 0.50000000000000 15.999 > 79 83 O 0.39557248874478 0.05319884834345 0.83333333333333 15.999 > 79 84 O 0.89557248874478 0.05319884834345 0.83333333333333 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9545344 0.0000000 0.0000000 0.0000000 3.5381755 0.0000000 0.0000000 0.0000000 5.0021033 -------------------------- Born effective charges -------------------------- 1 Na 1.1879677 0.0521522 0.0000000 0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 2 Na 1.1879677 -0.0521522 0.0000000 -0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 3 Na 1.1879677 -0.0521522 0.0000000 -0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 4 Na 1.1879677 0.0521522 0.0000000 0.2900516 1.2261089 0.0000000 0.0000000 0.0000000 0.9826100 5 U 3.0462156 0.5144844 0.0000000 0.5935028 4.8856755 0.0000000 0.0000000 0.0000000 8.0807761 6 U 3.0462156 -0.5144844 0.0000000 -0.5935028 4.8856755 0.0000000 0.0000000 0.0000000 8.0807761 7 O -1.1880509 0.8079570 0.0000000 0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 8 O -1.5230246 -0.4393671 0.0000000 -0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 9 O -1.1880509 -0.8079570 0.0000000 -0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 10 O -1.5230246 -0.4393671 0.0000000 -0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 11 O -1.1880509 0.8079570 0.0000000 0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 12 O -1.5230246 0.4393671 0.0000000 0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 13 O -1.1880509 -0.8079570 0.0000000 -0.8453414 -2.6480035 0.0000000 0.0000000 0.0000000 -1.1259827 14 O -1.5230246 0.4393671 0.0000000 0.4453458 -1.0209431 0.0000000 0.0000000 0.0000000 -3.8970154 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 14 ] 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: 0.72, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.259 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 8.418 ( 0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 11.600 ( 0.000 0.000 0.000) 0.000 11.743 ( 0.000 0.000 0.000) 0.000 13.339 ( 0.000 0.000 0.000) 0.000 13.500 ( 0.000 0.000 0.000) 0.000 15.432 ( 0.000 0.000 0.000) 0.000 16.485 ( 0.000 0.000 0.000) 0.000 20.598 ( 0.000 0.000 0.000) 0.000 21.028 ( 0.000 0.000 0.000) 0.000 21.800 ( 0.000 0.000 0.000) 0.000 22.722 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 18.226 0.000 0.000) 18.226 0.449 ( 22.354 0.000 0.000) 22.354 0.783 ( 38.424 0.000 0.000) 38.424 1.726 ( 4.956 0.000 0.000) 4.956 1.932 ( -2.116 0.000 0.000) 2.116 2.137 ( -7.053 0.000 0.000) 7.053 2.491 ( 6.714 0.000 0.000) 6.714 4.188 ( 0.470 0.000 0.000) 0.470 4.260 ( 0.087 0.000 0.000) 0.087 4.380 ( -0.964 0.000 0.000) 0.964 4.460 ( -1.064 0.000 0.000) 1.064 4.601 ( -6.235 0.000 0.000) 6.235 4.612 ( -1.939 0.000 0.000) 1.939 4.879 ( -5.958 0.000 0.000) 5.958 4.933 ( -4.223 0.000 0.000) 4.223 5.684 ( -2.166 0.000 0.000) 2.166 5.796 ( -5.486 0.000 0.000) 5.486 6.039 ( 13.641 0.000 0.000) 13.641 6.861 ( -10.917 0.000 0.000) 10.917 7.337 ( 6.390 0.000 0.000) 6.390 7.599 ( 2.706 0.000 0.000) 2.706 8.013 ( 1.073 0.000 0.000) 1.073 8.040 ( 3.658 0.000 0.000) 3.658 8.329 ( -1.041 0.000 0.000) 1.041 8.341 ( -1.063 0.000 0.000) 1.063 8.443 ( 2.067 0.000 0.000) 2.067 8.645 ( -0.424 0.000 0.000) 0.424 8.807 ( 0.345 0.000 0.000) 0.345 8.852 ( 1.621 0.000 0.000) 1.621 9.277 ( -0.771 0.000 0.000) 0.771 9.437 ( 1.708 0.000 0.000) 1.708 10.407 ( -8.662 0.000 0.000) 8.662 11.597 ( -0.297 0.000 0.000) 0.297 11.732 ( -1.103 0.000 0.000) 1.103 13.418 ( 7.752 0.000 0.000) 7.752 15.315 ( -10.183 0.000 0.000) 10.183 15.972 ( 7.151 0.000 0.000) 7.151 16.473 ( -1.191 0.000 0.000) 1.191 20.653 ( 5.406 0.000 0.000) 5.406 21.032 ( 0.407 0.000 0.000) 0.407 21.775 ( -2.274 0.000 0.000) 2.274 23.250 ( -8.523 0.000 0.000) 8.523 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 17.376 0.000 0.000) 17.376 0.863 ( 19.862 0.000 0.000) 19.862 1.464 ( 30.113 0.000 0.000) 30.113 1.852 ( 7.336 0.000 0.000) 7.336 1.867 ( -4.655 0.000 0.000) 4.655 2.007 ( -6.272 0.000 0.000) 6.272 2.628 ( 8.090 0.000 0.000) 8.090 4.201 ( 0.863 0.000 0.000) 0.863 4.263 ( 0.335 0.000 0.000) 0.335 4.357 ( -1.316 0.000 0.000) 1.316 4.400 ( -4.801 0.000 0.000) 4.801 4.415 ( -12.820 0.000 0.000) 12.820 4.559 ( -3.376 0.000 0.000) 3.376 4.718 ( -9.887 0.000 0.000) 9.887 4.937 ( 5.463 0.000 0.000) 5.463 5.653 ( -0.773 0.000 0.000) 0.773 5.664 ( -7.352 0.000 0.000) 7.352 6.331 ( 15.267 0.000 0.000) 15.267 6.649 ( -10.996 0.000 0.000) 10.996 7.389 ( -1.409 0.000 0.000) 1.409 7.673 ( 4.718 0.000 0.000) 4.718 8.036 ( 0.954 0.000 0.000) 0.954 8.142 ( 6.624 0.000 0.000) 6.624 8.303 ( -1.432 0.000 0.000) 1.432 8.323 ( -0.789 0.000 0.000) 0.789 8.488 ( 2.368 0.000 0.000) 2.368 8.633 ( -0.765 0.000 0.000) 0.765 8.805 ( -1.087 0.000 0.000) 1.087 8.907 ( 4.199 0.000 0.000) 4.199 9.275 ( 1.192 0.000 0.000) 1.192 9.477 ( 2.102 0.000 0.000) 2.102 10.173 ( -14.639 0.000 0.000) 14.639 11.591 ( -0.299 0.000 0.000) 0.299 11.702 ( -1.876 0.000 0.000) 1.876 13.626 ( 13.118 0.000 0.000) 13.118 15.083 ( -12.964 0.000 0.000) 12.964 16.113 ( 6.712 0.000 0.000) 6.712 16.442 ( -1.976 0.000 0.000) 1.976 20.796 ( 8.631 0.000 0.000) 8.631 21.043 ( 0.616 0.000 0.000) 0.616 21.733 ( -1.294 0.000 0.000) 1.294 23.014 ( -15.224 0.000 0.000) 15.224 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 15.882 0.000 0.000) 15.882 1.218 ( 16.304 0.000 0.000) 16.304 1.747 ( -7.687 0.000 0.000) 7.687 1.879 ( -7.247 0.000 0.000) 7.247 1.915 ( 15.352 0.000 0.000) 15.352 1.992 ( 6.439 0.000 0.000) 6.439 2.856 ( 16.105 0.000 0.000) 16.105 4.100 ( -19.197 0.000 0.000) 19.197 4.221 ( 1.125 0.000 0.000) 1.125 4.271 ( 0.298 0.000 0.000) 0.298 4.314 ( -3.066 0.000 0.000) 3.066 4.337 ( -0.427 0.000 0.000) 0.427 4.485 ( -3.966 0.000 0.000) 3.966 4.523 ( -9.319 0.000 0.000) 9.319 5.113 ( 10.984 0.000 0.000) 10.984 5.529 ( -6.171 0.000 0.000) 6.171 5.674 ( 3.645 0.000 0.000) 3.645 6.413 ( -13.474 0.000 0.000) 13.474 6.619 ( 14.083 0.000 0.000) 14.083 7.293 ( -7.765 0.000 0.000) 7.765 7.777 ( 5.667 0.000 0.000) 5.667 8.036 ( -1.274 0.000 0.000) 1.274 8.283 ( -0.475 0.000 0.000) 0.475 8.290 ( 8.297 0.000 0.000) 8.297 8.310 ( -0.574 0.000 0.000) 0.574 8.532 ( 2.073 0.000 0.000) 2.073 8.616 ( -0.998 0.000 0.000) 0.998 8.747 ( -4.992 0.000 0.000) 4.992 9.024 ( 7.952 0.000 0.000) 7.952 9.330 ( 3.930 0.000 0.000) 3.930 9.508 ( 0.879 0.000 0.000) 0.879 9.860 ( -16.733 0.000 0.000) 16.733 11.588 ( 0.140 0.000 0.000) 0.140 11.662 ( -2.085 0.000 0.000) 2.085 13.912 ( 15.634 0.000 0.000) 15.634 14.817 ( -14.181 0.000 0.000) 14.181 16.225 ( 4.722 0.000 0.000) 4.722 16.399 ( -2.265 0.000 0.000) 2.265 20.957 ( 6.939 0.000 0.000) 6.939 21.055 ( 0.569 0.000 0.000) 0.569 21.763 ( 5.382 0.000 0.000) 5.382 22.674 ( -18.943 0.000 0.000) 18.943 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 13.689 0.000 0.000) 13.689 1.500 ( 12.583 0.000 0.000) 12.583 1.566 ( -10.859 0.000 0.000) 10.859 1.715 ( -9.599 0.000 0.000) 9.599 2.086 ( 2.875 0.000 0.000) 2.875 2.087 ( 3.438 0.000 0.000) 3.438 3.242 ( 22.212 0.000 0.000) 22.212 3.686 ( -22.529 0.000 0.000) 22.529 4.244 ( 1.214 0.000 0.000) 1.214 4.266 ( -0.885 0.000 0.000) 0.885 4.297 ( 1.468 0.000 0.000) 1.468 4.353 ( 2.093 0.000 0.000) 2.093 4.371 ( -5.975 0.000 0.000) 5.975 4.410 ( -3.568 0.000 0.000) 3.568 5.304 ( 7.597 0.000 0.000) 7.597 5.421 ( -5.196 0.000 0.000) 5.196 5.829 ( 12.454 0.000 0.000) 12.454 6.121 ( -15.969 0.000 0.000) 15.969 6.879 ( 12.538 0.000 0.000) 12.538 7.108 ( -10.797 0.000 0.000) 10.797 7.887 ( 5.475 0.000 0.000) 5.475 7.983 ( -4.038 0.000 0.000) 4.038 8.285 ( 0.581 0.000 0.000) 0.581 8.298 ( -0.648 0.000 0.000) 0.648 8.457 ( 8.641 0.000 0.000) 8.641 8.567 ( 1.587 0.000 0.000) 1.587 8.595 ( -1.218 0.000 0.000) 1.218 8.619 ( -7.693 0.000 0.000) 7.693 9.218 ( 11.562 0.000 0.000) 11.562 9.388 ( -0.606 0.000 0.000) 0.606 9.507 ( -0.804 0.000 0.000) 0.804 9.560 ( -11.320 0.000 0.000) 11.320 11.598 ( 0.916 0.000 0.000) 0.916 11.624 ( -1.692 0.000 0.000) 1.692 14.223 ( 16.002 0.000 0.000) 16.002 14.530 ( -15.238 0.000 0.000) 15.238 16.301 ( 3.136 0.000 0.000) 3.136 16.354 ( -2.436 0.000 0.000) 2.436 21.045 ( 2.200 0.000 0.000) 2.200 21.062 ( 0.042 0.000 0.000) 0.042 21.961 ( 14.485 0.000 0.000) 14.485 22.297 ( -19.034 0.000 0.000) 19.034 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 21.021 0.000) 21.021 0.554 ( 0.000 26.549 0.000) 26.549 0.631 ( 0.000 30.104 0.000) 30.104 1.573 ( 0.000 -14.225 0.000) 14.225 1.835 ( 0.000 -11.107 0.000) 11.107 2.058 ( 0.000 -10.993 0.000) 10.993 2.678 ( 0.000 23.262 0.000) 23.262 4.223 ( 0.000 3.410 0.000) 3.410 4.266 ( 0.000 0.675 0.000) 0.675 4.364 ( 0.000 -14.885 0.000) 14.885 4.391 ( 0.000 0.303 0.000) 0.303 4.601 ( 0.000 -2.877 0.000) 2.877 4.712 ( 0.000 -8.412 0.000) 8.412 4.956 ( 0.000 -4.201 0.000) 4.201 5.529 ( 0.000 10.070 0.000) 10.070 5.717 ( 0.000 -0.425 0.000) 0.425 5.867 ( 0.000 1.273 0.000) 1.273 5.931 ( 0.000 0.254 0.000) 0.254 7.203 ( 0.000 -0.417 0.000) 0.417 7.267 ( 0.000 -0.975 0.000) 0.975 7.610 ( 0.000 3.619 0.000) 3.619 7.611 ( 0.000 12.854 0.000) 12.854 7.964 ( 0.000 -3.849 0.000) 3.849 8.280 ( 0.000 -2.552 0.000) 2.552 8.338 ( 0.000 -1.596 0.000) 1.596 8.498 ( 0.000 4.752 0.000) 4.752 8.647 ( 0.000 -0.378 0.000) 0.378 8.739 ( 0.000 -15.880 0.000) 15.880 8.827 ( 0.000 2.723 0.000) 2.723 9.133 ( 0.000 -7.117 0.000) 7.117 9.707 ( 0.000 16.252 0.000) 16.252 10.437 ( 0.000 -5.531 0.000) 5.531 11.614 ( 0.000 1.323 0.000) 1.323 11.730 ( 0.000 -1.247 0.000) 1.247 13.538 ( 0.000 3.678 0.000) 3.678 13.967 ( 0.000 -6.917 0.000) 6.917 15.564 ( 0.000 11.847 0.000) 11.847 16.403 ( 0.000 -7.922 0.000) 7.922 21.079 ( 0.000 4.954 0.000) 4.954 21.676 ( 0.000 -10.367 0.000) 10.367 22.864 ( 0.000 12.128 0.000) 12.128 23.608 ( 0.000 -6.488 0.000) 6.488 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 14.544 13.006 0.000) 19.511 0.651 ( 9.083 21.654 0.000) 23.482 1.004 ( 28.756 17.921 0.000) 33.883 1.609 ( 3.596 -13.349 0.000) 13.825 1.823 ( -1.358 -10.414 0.000) 10.502 2.029 ( -2.115 -7.045 0.000) 7.356 2.692 ( 1.779 19.187 0.000) 19.270 4.220 ( -0.294 2.671 0.000) 2.687 4.270 ( 0.349 0.964 0.000) 1.026 4.286 ( -7.734 -19.123 0.000) 20.628 4.381 ( -0.931 0.353 0.000) 0.995 4.583 ( -1.745 -2.701 0.000) 3.216 4.684 ( -0.162 -1.163 0.000) 1.175 4.876 ( -10.133 3.824 0.000) 10.831 5.313 ( -11.309 20.612 0.000) 23.510 5.694 ( -1.977 0.907 0.000) 2.175 5.792 ( -7.326 -0.240 0.000) 7.330 5.962 ( 6.375 -5.492 0.000) 8.414 7.020 ( -9.429 9.961 0.000) 13.716 7.333 ( 4.070 -1.140 0.000) 4.226 7.635 ( 2.473 3.404 0.000) 4.208 7.882 ( 13.895 -2.665 0.000) 14.148 7.974 ( 0.944 -3.907 0.000) 4.019 8.275 ( -0.367 -1.860 0.000) 1.896 8.348 ( 0.750 -1.252 0.000) 1.459 8.497 ( 0.010 4.053 0.000) 4.053 8.642 ( -0.484 -0.436 0.000) 0.651 8.729 ( -0.437 -12.415 0.000) 12.423 8.858 ( 2.691 1.923 0.000) 3.308 9.151 ( 1.871 -6.606 0.000) 6.866 9.647 ( -3.826 15.244 0.000) 15.717 10.355 ( -8.203 -5.158 0.000) 9.690 11.610 ( -0.378 1.248 0.000) 1.304 11.719 ( -1.031 -1.180 0.000) 1.567 13.529 ( 5.856 8.708 0.000) 10.494 14.614 ( 34.198 -42.909 0.000) 54.870 15.597 ( 5.296 8.406 0.000) 9.935 16.401 ( -0.314 -7.853 0.000) 7.859 21.073 ( -0.709 5.183 0.000) 5.232 21.652 ( -2.185 -8.403 0.000) 8.683 22.190 ( -47.125 55.409 0.000) 72.739 23.308 ( -15.521 1.534 0.000) 15.596 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 12.589 14.021 0.000) 18.843 0.906 ( 16.686 4.846 0.000) 17.376 1.567 ( 26.503 9.056 0.000) 28.007 1.685 ( 3.053 -14.583 0.000) 14.899 1.779 ( -3.227 -8.404 0.000) 9.002 2.014 ( 1.298 0.469 0.000) 1.380 2.752 ( 4.673 12.462 0.000) 13.310 4.096 ( -11.105 -21.572 0.000) 24.263 4.214 ( -0.308 1.170 0.000) 1.209 4.277 ( 0.292 0.877 0.000) 0.924 4.360 ( -1.025 0.731 0.000) 1.258 4.537 ( -2.910 -2.098 0.000) 3.588 4.613 ( -10.591 11.716 0.000) 15.794 4.755 ( 2.566 3.232 0.000) 4.127 5.155 ( -6.800 14.994 0.000) 16.464 5.601 ( -8.329 -3.335 0.000) 8.972 5.684 ( -0.869 0.869 0.000) 1.229 6.131 ( 9.163 -12.629 0.000) 15.603 6.872 ( -6.001 14.133 0.000) 15.354 7.359 ( -1.955 -2.971 0.000) 3.557 7.702 ( 4.248 2.756 0.000) 5.064 7.994 ( 0.848 -3.938 0.000) 4.028 8.098 ( 9.388 -1.168 0.000) 9.461 8.272 ( 0.138 -0.484 0.000) 0.503 8.358 ( 0.049 0.447 0.000) 0.449 8.503 ( 0.680 1.851 0.000) 1.973 8.628 ( -0.895 -0.612 0.000) 1.084 8.721 ( -0.860 -9.650 0.000) 9.688 8.929 ( 4.706 2.397 0.000) 5.281 9.206 ( 3.663 -4.923 0.000) 6.137 9.586 ( -2.527 9.415 0.000) 9.748 10.133 ( -13.928 -4.045 0.000) 14.503 11.602 ( -0.458 1.026 0.000) 1.124 11.691 ( -1.733 -0.979 0.000) 1.991 13.729 ( 13.212 9.495 0.000) 16.270 14.908 ( -0.037 -20.537 0.000) 20.537 15.808 ( 13.682 -8.660 0.000) 16.192 16.385 ( -1.332 -7.181 0.000) 7.304 21.057 ( -0.427 6.546 0.000) 6.560 21.553 ( -14.406 45.712 0.000) 47.928 21.643 ( -3.023 -5.876 0.000) 6.608 22.995 ( -17.520 -3.114 0.000) 17.794 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 12.725 7.915 0.000) 14.986 1.211 ( 14.143 0.078 0.000) 14.143 1.692 ( -5.763 -5.295 0.000) 7.826 1.697 ( -1.840 -12.843 0.000) 12.975 1.975 ( 14.287 5.236 0.000) 15.216 2.077 ( 4.288 4.466 0.000) 6.191 2.906 ( 11.853 5.708 0.000) 13.155 3.852 ( -14.044 -18.458 0.000) 23.193 4.212 ( 0.197 -0.324 0.000) 0.379 4.274 ( -0.835 -0.558 0.000) 1.005 4.352 ( 0.398 1.751 0.000) 1.796 4.451 ( -4.907 12.449 0.000) 13.381 4.476 ( -3.167 -0.955 0.000) 3.308 4.735 ( -7.151 13.045 0.000) 14.877 5.100 ( 3.134 -1.150 0.000) 3.338 5.453 ( -6.598 -6.181 0.000) 9.041 5.727 ( 5.480 4.422 0.000) 7.041 6.248 ( 0.785 -10.505 0.000) 10.534 6.802 ( 0.191 11.719 0.000) 11.721 7.262 ( -7.535 -3.058 0.000) 8.131 7.794 ( 4.939 1.661 0.000) 5.210 7.997 ( -0.740 -3.367 0.000) 3.448 8.273 ( 8.698 -0.415 0.000) 8.708 8.282 ( 0.886 0.913 0.000) 1.272 8.349 ( -0.846 2.099 0.000) 2.263 8.524 ( 1.388 -0.363 0.000) 1.435 8.608 ( -1.193 -0.897 0.000) 1.492 8.680 ( -3.579 -6.732 0.000) 7.624 9.049 ( 7.693 2.358 0.000) 8.046 9.291 ( 4.864 -3.403 0.000) 5.936 9.542 ( -2.179 3.517 0.000) 4.137 9.836 ( -15.788 -2.408 0.000) 15.971 11.596 ( -0.080 0.675 0.000) 0.679 11.655 ( -1.880 -0.654 0.000) 1.990 14.012 ( 15.156 9.411 0.000) 17.840 14.792 ( -9.558 -4.141 0.000) 10.416 16.041 ( 9.635 -10.813 0.000) 14.483 16.348 ( -2.513 -6.435 0.000) 6.909 21.073 ( 2.106 6.939 0.000) 7.252 21.345 ( -7.486 25.364 0.000) 26.445 21.701 ( 7.347 -4.092 0.000) 8.410 22.627 ( -19.604 -5.258 0.000) 20.297 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 11.154 2.951 0.000) 11.538 1.452 ( 10.406 -3.739 0.000) 11.057 1.552 ( -8.621 -1.424 0.000) 8.738 1.616 ( -6.364 -8.009 0.000) 10.229 2.138 ( 3.485 4.526 0.000) 5.712 2.146 ( 2.095 4.639 0.000) 5.090 3.203 ( 17.403 -2.456 0.000) 17.576 3.546 ( -17.027 -10.946 0.000) 20.242 4.223 ( 1.016 -1.347 0.000) 1.688 4.249 ( -1.462 -1.498 0.000) 2.093 4.374 ( 1.765 1.689 0.000) 2.443 4.418 ( -2.648 0.527 0.000) 2.700 4.432 ( 2.903 12.251 0.000) 12.590 4.554 ( -8.955 14.024 0.000) 16.639 5.212 ( 6.502 -8.176 0.000) 10.446 5.333 ( -5.957 -7.767 0.000) 9.788 5.900 ( 11.648 5.810 0.000) 13.017 6.136 ( -10.815 0.722 0.000) 10.839 6.899 ( 8.520 1.918 0.000) 8.734 7.086 ( -9.851 -2.060 0.000) 10.064 7.888 ( 4.468 0.099 0.000) 4.469 7.961 ( -2.921 -1.792 0.000) 3.427 8.304 ( 1.267 1.834 0.000) 2.229 8.328 ( -1.196 2.334 0.000) 2.623 8.437 ( 8.015 -1.395 0.000) 8.135 8.553 ( 1.525 -1.215 0.000) 1.949 8.580 ( -6.422 -3.637 0.000) 7.381 8.582 ( -1.397 -1.196 0.000) 1.840 9.231 ( 10.671 1.304 0.000) 10.751 9.370 ( 1.176 -1.674 0.000) 2.046 9.495 ( -2.512 -0.730 0.000) 2.616 9.553 ( -11.116 -0.874 0.000) 11.151 11.601 ( 0.664 0.234 0.000) 0.704 11.622 ( -1.446 -0.232 0.000) 1.465 14.304 ( 14.514 7.353 0.000) 16.271 14.572 ( -12.672 3.165 0.000) 13.061 16.191 ( 6.004 -8.286 0.000) 10.233 16.286 ( -3.899 -6.645 0.000) 7.705 21.133 ( 3.905 8.169 0.000) 9.054 21.223 ( -5.297 13.210 0.000) 14.233 21.919 ( 14.532 -3.417 0.000) 14.929 22.248 ( -18.662 -4.927 0.000) 19.301 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.000 19.188 0.000) 19.188 1.074 ( 0.000 23.986 0.000) 23.986 1.155 ( 0.000 5.533 0.000) 5.533 1.314 ( 0.000 4.277 0.000) 4.277 1.520 ( 0.000 -19.128 0.000) 19.128 1.734 ( 0.000 -20.273 0.000) 20.273 3.234 ( 0.000 29.826 0.000) 29.826 3.856 ( 0.000 -29.863 0.000) 29.863 4.282 ( 0.000 1.355 0.000) 1.355 4.283 ( 0.000 0.735 0.000) 0.735 4.425 ( 0.000 3.587 0.000) 3.587 4.520 ( 0.000 -4.803 0.000) 4.803 4.717 ( 0.000 4.913 0.000) 4.913 4.842 ( 0.000 -6.480 0.000) 6.480 5.668 ( 0.000 3.715 0.000) 3.715 5.707 ( 0.000 -0.747 0.000) 0.747 5.900 ( 0.000 1.728 0.000) 1.728 5.927 ( 0.000 -0.772 0.000) 0.772 7.211 ( 0.000 1.139 0.000) 1.139 7.240 ( 0.000 -1.510 0.000) 1.510 7.713 ( 0.000 6.226 0.000) 6.226 7.851 ( 0.000 -6.711 0.000) 6.711 7.946 ( 0.000 18.953 0.000) 18.953 8.265 ( 0.000 0.832 0.000) 0.832 8.298 ( 0.000 -2.069 0.000) 2.069 8.354 ( 0.000 -20.262 0.000) 20.262 8.581 ( 0.000 3.218 0.000) 3.218 8.629 ( 0.000 -1.499 0.000) 1.499 8.904 ( 0.000 4.698 0.000) 4.698 9.011 ( 0.000 -5.524 0.000) 5.524 10.021 ( 0.000 14.070 0.000) 14.070 10.272 ( 0.000 -10.349 0.000) 10.349 11.651 ( 0.000 2.102 0.000) 2.102 11.695 ( 0.000 -2.055 0.000) 2.055 13.646 ( 0.000 6.679 0.000) 6.679 13.803 ( 0.000 -8.330 0.000) 8.330 15.861 ( 0.000 15.940 0.000) 15.940 16.175 ( 0.000 -13.869 0.000) 13.869 21.225 ( 0.000 9.109 0.000) 9.109 21.441 ( 0.000 -11.613 0.000) 11.613 23.147 ( 0.000 14.343 0.000) 14.343 23.419 ( 0.000 -11.698 0.000) 11.698 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 6.352 17.439 0.000) 18.560 1.111 ( 3.584 22.105 0.000) 22.393 1.257 ( 6.423 -13.340 0.000) 14.806 1.439 ( 13.965 16.508 0.000) 21.623 1.527 ( 0.590 -17.962 0.000) 17.971 1.799 ( 6.449 -15.346 0.000) 16.646 3.191 ( -3.791 27.754 0.000) 28.012 3.775 ( -7.397 -28.204 0.000) 29.157 4.268 ( -0.991 1.653 0.000) 1.927 4.286 ( -0.124 0.032 0.000) 0.128 4.417 ( -0.709 3.566 0.000) 3.636 4.507 ( -1.204 -4.500 0.000) 4.658 4.741 ( 2.321 5.088 0.000) 5.593 4.849 ( -0.359 -4.532 0.000) 4.546 5.604 ( -6.492 8.793 0.000) 10.930 5.703 ( -0.815 -1.213 0.000) 1.461 5.795 ( -10.133 1.130 0.000) 10.196 5.855 ( -3.295 -4.477 0.000) 5.559 7.177 ( -2.327 5.742 0.000) 6.196 7.275 ( 1.595 -4.068 0.000) 4.369 7.732 ( 1.865 5.884 0.000) 6.172 7.863 ( 1.177 -6.451 0.000) 6.557 8.030 ( 7.263 14.547 0.000) 16.259 8.271 ( 0.603 1.195 0.000) 1.338 8.309 ( 1.016 -2.201 0.000) 2.424 8.385 ( 2.865 -18.628 0.000) 18.847 8.574 ( -0.682 3.152 0.000) 3.225 8.622 ( -0.640 -1.577 0.000) 1.703 8.930 ( 2.545 4.566 0.000) 5.228 9.034 ( 2.372 -5.391 0.000) 5.890 9.953 ( -6.229 13.810 0.000) 15.150 10.198 ( -7.286 -10.014 0.000) 12.384 11.645 ( -0.588 1.984 0.000) 2.069 11.686 ( -0.837 -1.942 0.000) 2.114 13.739 ( 10.049 11.950 0.000) 15.614 14.041 ( 19.501 -18.678 0.000) 27.003 15.866 ( 0.655 15.414 0.000) 15.428 16.174 ( -0.110 -13.783 0.000) 13.783 21.221 ( -0.339 9.145 0.000) 9.151 21.434 ( -0.497 -11.264 0.000) 11.275 22.892 ( -23.915 21.813 0.000) 32.369 23.216 ( -17.327 -10.437 0.000) 20.228 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 9.598 11.664 0.000) 15.105 1.205 ( 5.762 17.281 0.000) 18.216 1.362 ( 4.622 -15.551 0.000) 16.224 1.539 ( 0.478 -14.607 0.000) 14.615 1.783 ( 18.400 10.687 0.000) 21.279 1.962 ( 9.377 -6.024 0.000) 11.145 3.119 ( -2.737 22.224 0.000) 22.392 3.611 ( -8.525 -24.789 0.000) 26.214 4.244 ( -1.376 1.686 0.000) 2.176 4.275 ( -1.042 -1.102 0.000) 1.517 4.404 ( -0.543 3.332 0.000) 3.376 4.477 ( -1.692 -3.509 0.000) 3.896 4.782 ( -1.176 4.837 0.000) 4.978 4.819 ( 0.540 1.409 0.000) 1.509 5.412 ( -12.906 8.873 0.000) 15.662 5.529 ( -13.423 -3.847 0.000) 13.963 5.730 ( 3.248 4.792 0.000) 5.789 5.893 ( 6.058 -10.337 0.000) 11.982 7.117 ( -4.125 9.362 0.000) 10.231 7.268 ( -2.744 -5.835 0.000) 6.448 7.782 ( 3.027 4.851 0.000) 5.718 7.892 ( 1.601 -5.598 0.000) 5.822 8.183 ( 7.760 9.646 0.000) 12.380 8.289 ( 1.258 1.873 0.000) 2.257 8.334 ( 1.443 -2.152 0.000) 2.591 8.449 ( 3.210 -14.857 0.000) 15.199 8.556 ( -1.067 2.808 0.000) 3.004 8.604 ( -1.170 -1.770 0.000) 2.122 9.001 ( 4.753 4.452 0.000) 6.513 9.102 ( 4.528 -5.152 0.000) 6.858 9.806 ( -8.216 10.970 0.000) 13.705 10.006 ( -11.781 -8.214 0.000) 14.362 11.630 ( -0.865 1.636 0.000) 1.850 11.664 ( -1.352 -1.607 0.000) 2.100 13.996 ( 14.748 16.431 0.000) 22.079 14.404 ( 15.096 -23.612 0.000) 28.026 15.898 ( 2.894 11.952 0.000) 12.297 16.170 ( -0.322 -12.998 0.000) 13.002 21.220 ( 0.463 9.493 0.000) 9.504 21.433 ( 0.643 -10.894 0.000) 10.912 22.382 ( -24.593 30.452 0.000) 39.142 22.829 ( -21.169 -14.159 0.000) 25.468 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 8.603 5.419 0.000) 10.168 1.324 ( 6.066 10.929 0.000) 12.500 1.437 ( 2.777 -11.435 0.000) 11.767 1.538 ( -0.692 -9.444 0.000) 9.469 2.086 ( 11.622 4.557 0.000) 12.483 2.132 ( 7.310 0.376 0.000) 7.319 3.110 ( 2.122 14.100 0.000) 14.259 3.458 ( -7.142 -19.032 0.000) 20.328 4.218 ( -1.128 0.991 0.000) 1.502 4.247 ( -1.666 -1.641 0.000) 2.339 4.399 ( 0.117 2.521 0.000) 2.524 4.446 ( -1.437 -1.921 0.000) 2.399 4.717 ( -2.602 11.837 0.000) 12.120 4.882 ( 3.979 -2.061 0.000) 4.481 5.128 ( -14.598 6.563 0.000) 16.005 5.301 ( -9.999 -8.481 0.000) 13.112 5.851 ( 8.494 7.757 0.000) 11.503 6.036 ( 7.267 -10.006 0.000) 12.366 7.019 ( -5.246 9.016 0.000) 10.431 7.170 ( -6.859 -5.858 0.000) 9.020 7.843 ( 3.106 3.133 0.000) 4.412 7.918 ( 0.937 -4.011 0.000) 4.119 8.318 ( 1.629 2.316 0.000) 2.832 8.323 ( 6.433 5.811 0.000) 8.669 8.360 ( 1.000 -1.199 0.000) 1.561 8.495 ( 1.232 -10.015 0.000) 10.090 8.537 ( -0.756 1.711 0.000) 1.870 8.578 ( -1.458 -1.922 0.000) 2.412 9.116 ( 6.942 4.035 0.000) 8.030 9.206 ( 5.976 -4.581 0.000) 7.529 9.644 ( -8.133 5.893 0.000) 10.044 9.760 ( -12.938 -4.944 0.000) 13.851 11.614 ( -0.649 1.081 0.000) 1.261 11.637 ( -1.336 -1.068 0.000) 1.710 14.272 ( 12.817 15.262 0.000) 19.930 14.593 ( 4.432 -14.569 0.000) 15.228 15.976 ( 4.695 4.825 0.000) 6.733 16.159 ( -0.939 -10.781 0.000) 10.822 21.250 ( 2.840 10.050 0.000) 10.444 21.458 ( 1.373 -9.278 0.000) 9.379 22.001 ( -13.404 25.565 0.000) 28.865 22.425 ( -19.401 -15.137 0.000) 24.607 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 5.241 -0.357 0.000) 5.253 1.432 ( 4.802 3.966 0.000) 6.228 1.458 ( -0.844 -6.070 0.000) 6.128 1.506 ( -2.702 -3.032 0.000) 4.061 2.228 ( 3.268 3.042 0.000) 4.465 2.232 ( 2.639 2.690 0.000) 3.768 3.196 ( 6.060 2.646 0.000) 6.613 3.324 ( -6.734 -9.479 0.000) 11.627 4.206 ( -0.046 -0.187 0.000) 0.192 4.218 ( -1.196 -1.254 0.000) 1.733 4.407 ( 0.603 1.274 0.000) 1.409 4.422 ( -0.993 -0.224 0.000) 1.017 4.721 ( 3.511 14.566 0.000) 14.983 4.855 ( -9.474 14.498 0.000) 17.319 4.999 ( 4.916 -12.252 0.000) 13.201 5.128 ( -7.775 -11.922 0.000) 14.233 6.027 ( 8.287 5.908 0.000) 10.177 6.120 ( -0.075 -2.732 0.000) 2.733 6.955 ( -0.094 3.375 0.000) 3.376 7.028 ( -6.690 -3.486 0.000) 7.544 7.896 ( 2.135 0.827 0.000) 2.290 7.923 ( -0.543 -1.735 0.000) 1.818 8.349 ( 1.395 2.117 0.000) 2.536 8.367 ( -0.324 0.766 0.000) 0.831 8.430 ( 4.416 1.232 0.000) 4.585 8.491 ( -1.717 -4.344 0.000) 4.671 8.533 ( 0.389 -0.287 0.000) 0.483 8.550 ( -1.296 -1.648 0.000) 2.097 9.270 ( 8.435 2.404 0.000) 8.770 9.324 ( 5.154 -2.664 0.000) 5.802 9.496 ( -6.682 0.933 0.000) 6.747 9.525 ( -9.918 -1.645 0.000) 10.053 11.607 ( 0.006 0.378 0.000) 0.378 11.615 ( -0.800 -0.377 0.000) 0.884 14.482 ( 8.523 8.627 0.000) 12.127 14.599 ( -3.241 -1.874 0.000) 3.744 16.065 ( 4.068 -2.018 0.000) 4.541 16.128 ( -2.323 -7.083 0.000) 7.454 21.332 ( 5.379 9.746 0.000) 11.132 21.438 ( -4.237 2.853 0.000) 5.108 21.901 ( 3.622 4.931 0.000) 6.119 22.091 ( -14.275 -10.115 0.000) 17.496 ======================= Grid point 45 (16/120) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 0.000 0.000 17.214) 17.214 0.540 ( 0.000 0.000 26.642) 26.642 1.419 ( 0.000 0.000 67.075) 67.075 1.644 ( 0.000 0.000 -2.312) 2.312 2.041 ( 0.000 0.000 -11.485) 11.485 2.403 ( 0.000 0.000 38.504) 38.504 2.572 ( 0.000 0.000 16.850) 16.850 4.319 ( 0.000 0.000 9.827) 9.827 4.346 ( 0.000 0.000 8.077) 8.077 4.470 ( 0.000 0.000 7.624) 7.624 4.475 ( 0.000 0.000 3.532) 3.532 4.635 ( 0.000 0.000 -2.483) 2.483 4.762 ( 0.000 0.000 11.013) 11.013 4.992 ( 0.000 0.000 -0.626) 0.626 5.026 ( 0.000 0.000 8.428) 8.428 5.315 ( 0.000 0.000 -2.952) 2.952 5.727 ( 0.000 0.000 0.477) 0.477 5.790 ( 0.000 0.000 -5.419) 5.419 6.977 ( 0.000 0.000 -4.431) 4.431 7.158 ( 0.000 0.000 -4.700) 4.700 7.398 ( 0.000 0.000 -5.499) 5.499 7.608 ( 0.000 0.000 0.532) 0.532 7.860 ( 0.000 0.000 -29.074) 29.074 8.269 ( 0.000 0.000 22.161) 22.161 8.323 ( 0.000 0.000 1.592) 1.592 8.531 ( 0.000 0.000 9.770) 9.770 8.950 ( 0.000 0.000 10.930) 10.930 9.240 ( 0.000 0.000 27.184) 27.184 9.324 ( 0.000 0.000 4.228) 4.228 9.371 ( 0.000 0.000 -4.531) 4.531 9.514 ( 0.000 0.000 3.291) 3.291 10.354 ( 0.000 0.000 -11.586) 11.586 11.847 ( 0.000 0.000 20.876) 20.876 13.296 ( 0.000 0.000 -4.173) 4.173 13.454 ( 0.000 0.000 -4.372) 4.372 15.417 ( 0.000 0.000 -1.430) 1.430 16.452 ( 0.000 0.000 -3.244) 3.244 18.440 ( 0.000 0.000 -7.656) 7.656 20.569 ( 0.000 0.000 -2.782) 2.782 21.023 ( 0.000 0.000 -0.573) 0.573 21.775 ( 0.000 0.000 -2.456) 2.456 22.632 ( 0.000 0.000 -8.397) 8.397 ======================= Grid point 46 (17/120) ======================= q-point: ( 0.11 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 13.009 0.000 19.500) 23.441 0.791 ( 32.849 0.000 5.805) 33.358 1.480 ( 6.358 0.000 63.638) 63.955 1.687 ( 4.146 0.000 -2.519) 4.851 1.999 ( -3.663 0.000 -10.075) 10.720 2.396 ( -0.826 0.000 39.062) 39.071 2.638 ( 5.507 0.000 14.732) 15.727 4.324 ( 0.344 0.000 10.192) 10.198 4.345 ( -0.120 0.000 7.880) 7.881 4.458 ( -1.330 0.000 7.220) 7.341 4.470 ( -1.459 0.000 2.793) 3.151 4.590 ( -4.426 0.000 -1.028) 4.544 4.733 ( -2.555 0.000 10.658) 10.960 4.843 ( -5.314 0.000 -2.129) 5.725 4.958 ( -6.899 0.000 7.870) 10.466 5.599 ( 11.264 0.000 -6.518) 13.014 5.737 ( -5.076 0.000 -5.094) 7.191 5.766 ( 10.470 0.000 -2.881) 10.859 6.830 ( -10.116 0.000 -2.994) 10.550 7.264 ( 5.339 0.000 -5.873) 7.937 7.486 ( 7.910 0.000 -8.860) 11.877 7.633 ( 2.720 0.000 -0.318) 2.738 7.868 ( 0.851 0.000 -28.610) 28.623 8.310 ( -1.197 0.000 1.633) 2.025 8.325 ( 5.300 0.000 21.504) 22.148 8.557 ( 2.418 0.000 9.899) 10.190 8.945 ( -0.591 0.000 10.474) 10.491 9.210 ( -2.634 0.000 21.742) 21.901 9.323 ( 0.204 0.000 5.051) 5.055 9.399 ( 1.197 0.000 -1.243) 1.725 9.436 ( -5.756 0.000 12.545) 13.803 10.283 ( -7.069 0.000 -10.330) 12.517 11.841 ( -0.474 0.000 20.953) 20.959 13.130 ( -27.885 0.000 26.698) 38.605 13.375 ( 7.776 0.000 -4.153) 8.815 15.445 ( 0.546 0.000 0.419) 0.688 16.437 ( -1.512 0.000 -3.538) 3.848 17.187 ( -76.816 0.000 56.422) 95.310 20.622 ( 5.285 0.000 -2.897) 6.027 21.008 ( -0.362 0.000 -1.701) 1.739 21.749 ( -2.385 0.000 -2.533) 3.479 22.852 ( 7.542 0.000 -22.286) 23.528 ======================= Grid point 47 (18/120) ======================= q-point: ( 0.22 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 15.484 0.000 10.820) 18.889 1.338 ( 20.681 0.000 15.089) 25.600 1.680 ( 14.053 0.000 40.802) 43.155 1.790 ( 5.913 0.000 -2.548) 6.439 1.927 ( -2.974 0.000 -3.588) 4.660 2.368 ( -2.052 0.000 40.289) 40.341 2.760 ( 7.487 0.000 12.815) 14.842 4.322 ( -0.983 0.000 7.432) 7.497 4.326 ( -3.422 0.000 4.577) 5.715 4.403 ( -3.864 0.000 4.181) 5.693 4.414 ( -2.975 0.000 6.255) 6.927 4.489 ( -4.487 0.000 6.415) 7.828 4.676 ( -3.583 0.000 10.948) 11.519 4.764 ( -12.307 0.000 5.364) 13.425 4.875 ( 8.076 0.000 -2.723) 8.523 5.617 ( -6.451 0.000 -3.879) 7.527 5.632 ( -0.828 0.000 -1.922) 2.093 6.129 ( 19.441 0.000 -10.519) 22.105 6.628 ( -10.726 0.000 -1.996) 10.910 7.294 ( -2.471 0.000 -7.054) 7.474 7.661 ( 9.212 0.000 -10.416) 13.905 7.712 ( 4.969 0.000 -1.611) 5.224 7.895 ( 1.966 0.000 -27.198) 27.268 8.282 ( -1.606 0.000 0.876) 1.830 8.454 ( 7.347 0.000 20.945) 22.197 8.615 ( 3.296 0.000 10.601) 11.101 8.924 ( -1.698 0.000 10.227) 10.367 9.137 ( -5.393 0.000 18.672) 19.435 9.294 ( -4.713 0.000 17.711) 18.328 9.343 ( 2.031 0.000 6.383) 6.698 9.462 ( 2.729 0.000 4.300) 5.093 10.091 ( -12.143 0.000 -6.930) 13.982 11.835 ( 0.010 0.000 21.538) 21.538 12.596 ( -23.425 0.000 49.450) 54.718 13.584 ( 13.246 0.000 -4.024) 13.844 15.307 ( -16.173 0.000 14.592) 21.783 16.288 ( -17.743 0.000 18.256) 25.458 16.396 ( -2.527 0.000 -4.338) 5.021 20.762 ( 8.446 0.000 -3.193) 9.030 21.009 ( 0.378 0.000 -2.835) 2.860 21.703 ( -1.602 0.000 -2.855) 3.273 22.814 ( -9.307 0.000 -16.392) 18.850 ======================= Grid point 48 (19/120) ======================= q-point: ( 0.33 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 13.458 0.000 5.061) 14.378 1.614 ( 9.030 0.000 27.758) 29.190 1.826 ( -1.267 0.000 -3.872) 4.074 1.896 ( 4.305 0.000 -0.242) 4.312 2.008 ( 10.777 0.000 22.966) 25.369 2.314 ( -3.480 0.000 40.139) 40.290 2.975 ( 15.240 0.000 11.317) 18.982 4.132 ( -15.561 0.000 3.339) 15.916 4.278 ( -2.360 0.000 0.032) 2.360 4.371 ( 0.031 0.000 10.770) 10.770 4.388 ( -0.611 0.000 10.350) 10.368 4.438 ( -1.052 0.000 9.569) 9.626 4.526 ( -10.449 0.000 0.627) 10.468 4.597 ( -4.262 0.000 10.513) 11.344 5.096 ( 12.783 0.000 -0.484) 12.792 5.501 ( -5.231 0.000 -2.217) 5.682 5.643 ( 2.985 0.000 -2.809) 4.099 6.394 ( -13.623 0.000 -1.888) 13.753 6.474 ( 15.898 0.000 -9.905) 18.731 7.184 ( -8.154 0.000 -8.092) 11.488 7.807 ( 4.406 0.000 -3.129) 5.404 7.819 ( 6.091 0.000 -8.888) 10.775 7.954 ( 4.436 0.000 -23.307) 23.725 8.244 ( -2.496 0.000 -1.964) 3.176 8.593 ( 6.510 0.000 21.107) 22.088 8.677 ( 2.985 0.000 12.062) 12.425 8.882 ( -2.374 0.000 13.224) 13.435 9.007 ( -6.975 0.000 21.901) 22.985 9.270 ( 1.926 0.000 12.263) 12.413 9.401 ( 3.529 0.000 5.710) 6.713 9.505 ( 1.413 0.000 5.195) 5.384 9.830 ( -13.973 0.000 -1.973) 14.112 11.849 ( 1.633 0.000 23.401) 23.457 12.237 ( -13.970 0.000 43.839) 46.011 13.875 ( 16.119 0.000 -3.462) 16.486 14.926 ( -20.066 0.000 10.674) 22.728 16.183 ( 1.001 0.000 -3.847) 3.975 16.342 ( -2.904 0.000 -5.432) 6.159 20.921 ( 6.851 0.000 -3.448) 7.669 21.018 ( 0.479 0.000 -3.259) 3.294 21.724 ( 4.705 0.000 -3.699) 5.985 22.553 ( -16.249 0.000 -10.937) 19.587 ======================= Grid point 49 (20/120) ======================= q-point: ( 0.44 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 9.998 0.000 1.187) 10.069 1.647 ( -5.175 0.000 2.083) 5.579 1.865 ( 5.303 0.000 20.759) 21.426 1.935 ( -0.800 0.000 9.561) 9.595 2.159 ( 5.008 0.000 21.381) 21.960 2.239 ( -3.881 0.000 33.028) 33.255 3.341 ( 21.171 0.000 9.446) 23.183 3.763 ( -21.159 0.000 7.295) 22.381 4.264 ( 1.216 0.000 -0.641) 1.374 4.326 ( -4.828 0.000 1.735) 5.131 4.382 ( 0.907 0.000 10.560) 10.599 4.408 ( -2.116 0.000 7.775) 8.058 4.455 ( 2.324 0.000 9.394) 9.677 4.517 ( -3.797 0.000 10.005) 10.702 5.305 ( 7.506 0.000 0.581) 7.529 5.410 ( -4.375 0.000 -0.667) 4.425 5.793 ( 12.754 0.000 -3.343) 13.185 6.095 ( -16.442 0.000 -2.423) 16.619 6.757 ( 13.212 0.000 -9.085) 16.034 6.994 ( -11.048 0.000 -8.614) 14.009 7.873 ( 2.138 0.000 -6.255) 6.610 7.885 ( 1.080 0.000 -9.406) 9.468 8.067 ( 6.305 0.000 -14.071) 15.419 8.176 ( -4.579 0.000 -7.166) 8.504 8.698 ( 3.904 0.000 19.641) 20.025 8.725 ( 1.336 0.000 14.898) 14.958 8.845 ( -0.693 0.000 18.673) 18.686 8.888 ( -4.783 0.000 21.271) 21.802 9.362 ( 7.350 0.000 4.367) 8.549 9.463 ( 1.956 0.000 0.722) 2.085 9.513 ( -0.555 0.000 7.375) 7.396 9.572 ( -11.305 0.000 6.629) 13.105 11.905 ( 4.330 0.000 27.435) 27.774 12.025 ( -8.163 0.000 34.371) 35.327 14.204 ( 17.341 0.000 -1.729) 17.427 14.551 ( -18.317 0.000 2.496) 18.487 16.228 ( 2.880 0.000 -6.871) 7.450 16.285 ( -2.936 0.000 -6.504) 7.136 21.008 ( 2.194 0.000 -3.459) 4.096 21.025 ( 0.029 0.000 -3.408) 3.408 21.904 ( 13.422 0.000 -5.295) 14.428 22.216 ( -17.475 0.000 -7.569) 19.044 ======================= Grid point 54 (21/120) ======================= q-point: ( 0.00 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 17.349 9.015) 19.551 0.672 ( 0.000 13.104 17.288) 21.693 1.537 ( 0.000 -8.402 5.209) 9.886 1.593 ( 0.000 12.583 54.008) 55.454 1.871 ( 0.000 -14.820 -7.424) 16.576 2.382 ( 0.000 -3.524 37.703) 37.867 2.805 ( 0.000 20.983 13.399) 24.896 4.332 ( 0.000 -1.891 6.096) 6.382 4.353 ( 0.000 0.580 7.989) 8.010 4.396 ( 0.000 -7.973 6.250) 10.131 4.494 ( 0.000 1.371 9.556) 9.654 4.728 ( 0.000 -2.870 9.056) 9.500 4.759 ( 0.000 -11.826 4.801) 12.763 4.906 ( 0.000 3.387 -7.042) 7.814 5.041 ( 0.000 17.595 -17.758) 24.999 5.511 ( 0.000 9.510 -1.401) 9.613 5.738 ( 0.000 1.011 0.100) 1.016 5.775 ( 0.000 -1.317 -7.504) 7.619 6.988 ( 0.000 1.095 -6.713) 6.801 7.115 ( 0.000 -2.907 -6.785) 7.382 7.540 ( 0.000 11.906 -5.900) 13.288 7.635 ( 0.000 2.623 -0.898) 2.772 7.859 ( 0.000 -0.578 -23.076) 23.083 8.280 ( 0.000 1.968 20.431) 20.525 8.285 ( 0.000 -4.110 0.533) 4.145 8.572 ( 0.000 3.703 9.874) 10.545 8.790 ( 0.000 -11.765 9.673) 15.231 9.148 ( 0.000 -11.159 4.641) 12.085 9.252 ( 0.000 1.178 26.565) 26.592 9.429 ( 0.000 -4.975 14.464) 15.295 9.638 ( 0.000 14.593 -4.699) 15.331 10.305 ( 0.000 -4.772 -10.853) 11.856 11.888 ( 0.000 4.312 22.815) 23.219 13.005 ( 0.000 -27.088 16.649) 31.795 13.523 ( 0.000 6.753 -1.342) 6.885 15.415 ( 0.000 -51.937 42.646) 67.202 15.694 ( 0.000 -53.630 59.267) 79.930 16.373 ( 0.000 -7.583 -2.892) 8.115 21.066 ( 0.000 5.024 -1.349) 5.202 21.656 ( 0.000 -10.058 -2.020) 10.259 22.421 ( 0.000 58.811 -65.469) 88.005 22.747 ( 0.000 9.424 -10.884) 14.397 ======================= Grid point 55 (22/120) ======================= q-point: ( 0.11 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 13.096 5.153 14.837) 20.450 0.953 ( 24.772 12.646 6.001) 28.454 1.573 ( 2.948 -11.490 -1.127) 11.916 1.635 ( 4.830 13.201 56.759) 58.474 1.884 ( 1.437 -9.899 -6.747) 12.065 2.355 ( -2.291 -3.951 38.901) 39.168 2.828 ( 1.962 17.435 13.333) 22.036 4.287 ( -6.184 -12.686 2.438) 14.322 4.356 ( -0.234 -0.370 8.062) 8.073 4.368 ( -0.864 -1.177 10.464) 10.566 4.481 ( -1.227 1.385 9.641) 9.817 4.672 ( -3.211 -0.849 2.433) 4.117 4.729 ( -0.812 -3.188 7.294) 8.002 4.830 ( -7.523 9.356 -3.584) 12.529 5.069 ( 1.374 9.910 -7.435) 12.464 5.637 ( 4.868 2.795 -4.486) 7.186 5.709 ( -6.129 -2.649 -7.099) 9.746 5.769 ( 7.565 -0.184 -3.319) 8.263 6.879 ( -7.046 4.473 -5.917) 10.231 7.208 ( 4.987 -4.331 -7.958) 10.343 7.604 ( 5.284 9.406 -7.686) 13.246 7.661 ( 3.126 3.350 -1.846) 4.940 7.864 ( 0.574 -0.830 -23.138) 23.160 8.278 ( -0.641 -3.490 0.327) 3.564 8.330 ( 4.779 1.260 19.946) 20.549 8.587 ( 1.431 2.534 9.954) 10.370 8.798 ( 0.767 -10.007 10.823) 14.760 9.155 ( 0.238 -12.028 5.763) 13.339 9.244 ( -0.752 1.972 24.198) 24.290 9.389 ( -3.374 -2.824 17.438) 17.984 9.612 ( -2.115 13.306 -2.604) 13.722 10.236 ( -6.820 -4.530 -9.700) 12.693 11.881 ( -0.698 4.033 22.830) 23.194 12.811 ( -18.140 -24.230 36.173) 47.167 13.530 ( 4.178 10.829 -0.360) 11.613 15.507 ( -9.315 -81.264 69.107) 107.081 15.572 ( 6.206 5.923 -2.073) 8.826 16.378 ( -0.083 -8.516 -1.672) 8.679 21.059 ( -0.772 5.065 -1.332) 5.294 21.621 ( -3.920 -4.274 -3.768) 6.916 21.876 ( -29.795 55.242 -25.358) 67.694 22.920 ( 1.574 4.415 -24.164) 24.615 ======================= Grid point 56 (23/120) ======================= q-point: ( 0.22 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 14.648 1.424 10.211) 17.913 1.420 ( 19.469 7.420 12.616) 24.357 1.629 ( 2.690 -12.262 -1.297) 12.620 1.797 ( 11.526 8.378 40.117) 42.572 1.932 ( 3.449 -0.479 -4.579) 5.753 2.307 ( -2.527 -5.413 41.472) 41.900 2.881 ( 4.004 11.659 12.270) 17.394 4.114 ( -10.265 -18.927 2.148) 21.638 4.345 ( -0.517 -0.093 10.495) 10.508 4.366 ( -0.421 1.232 8.495) 8.595 4.456 ( -1.091 2.068 9.201) 9.493 4.581 ( -6.388 5.616 0.347) 8.513 4.682 ( -5.088 2.705 10.452) 11.935 4.784 ( 3.443 2.179 2.912) 5.008 5.044 ( -3.110 11.861 -5.588) 13.475 5.553 ( -7.519 -4.699 -4.259) 9.836 5.653 ( -0.522 1.037 -2.642) 2.886 6.019 ( 13.450 -8.750 -7.111) 17.550 6.750 ( -6.138 9.540 -6.596) 13.122 7.245 ( -1.740 -4.491 -8.240) 9.545 7.698 ( 4.658 2.029 -5.941) 7.817 7.769 ( 6.603 6.840 -5.583) 11.025 7.885 ( 1.869 -1.362 -23.235) 23.350 8.263 ( -0.890 -2.107 -0.817) 2.429 8.450 ( 6.993 0.091 19.181) 20.416 8.624 ( 2.253 0.410 10.450) 10.698 8.815 ( 0.780 -6.381 13.698) 15.131 9.111 ( -5.311 -9.120 15.434) 18.697 9.244 ( 1.139 1.742 15.901) 16.037 9.348 ( 0.091 -0.220 16.139) 16.141 9.573 ( -1.734 8.648 0.707) 8.849 10.052 ( -11.615 -3.767 -6.571) 13.866 11.868 ( -0.437 3.286 23.188) 23.424 12.443 ( -16.979 -12.755 47.142) 51.704 13.701 ( 12.141 10.707 -2.867) 16.440 15.195 ( -17.011 -22.477 25.305) 37.881 15.798 ( 11.373 -15.802 -0.195) 19.470 16.358 ( -1.895 -7.063 -2.324) 7.673 21.039 ( -0.823 6.437 -1.686) 6.705 21.427 ( -10.854 43.728 -11.142) 46.413 21.615 ( -1.869 -7.326 -2.611) 7.999 22.799 ( -12.019 -2.621 -16.444) 20.536 ======================= Grid point 57 (24/120) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 12.705 -0.616 5.555) 13.880 1.625 ( 1.401 -5.654 6.589) 8.794 1.731 ( 8.923 1.395 20.943) 22.807 1.984 ( 3.130 5.148 -1.951) 6.333 2.045 ( 9.540 2.912 19.230) 21.663 2.258 ( -2.428 -5.311 40.838) 41.253 3.020 ( 10.982 5.161 10.824) 16.260 3.894 ( -12.555 -17.435 4.084) 21.869 4.332 ( -1.040 1.153 6.174) 6.366 4.346 ( -0.766 0.882 9.710) 9.780 4.449 ( 0.477 2.665 8.962) 9.362 4.480 ( -3.214 6.556 5.029) 8.866 4.594 ( -4.039 0.620 10.426) 11.198 4.739 ( -8.838 13.639 1.125) 16.291 5.074 ( 6.873 -2.264 -1.196) 7.334 5.428 ( -5.394 -6.181 -1.930) 8.428 5.688 ( 5.005 3.886 -3.519) 7.248 6.206 ( 3.219 -10.616 -3.788) 11.723 6.665 ( -0.517 10.773 -9.079) 14.098 7.148 ( -7.612 -3.567 -8.556) 11.995 7.790 ( 4.345 -0.489 -5.282) 6.857 7.860 ( 2.289 1.894 -9.399) 9.857 7.964 ( 6.172 1.794 -17.825) 18.949 8.239 ( -1.824 -0.669 -3.535) 4.034 8.585 ( 6.506 -0.559 18.720) 19.826 8.672 ( 2.598 -0.751 11.949) 12.251 8.823 ( -0.056 -3.245 17.594) 17.891 8.985 ( -6.690 -4.109 20.499) 21.951 9.279 ( 2.639 1.458 11.495) 11.884 9.387 ( 3.273 -0.965 8.870) 9.504 9.545 ( -1.205 3.533 4.070) 5.522 9.804 ( -13.170 -2.463 -1.858) 13.527 11.871 ( 0.917 2.125 24.555) 24.663 12.173 ( -10.922 -5.588 41.144) 42.934 13.970 ( 14.861 9.058 -4.111) 17.883 14.871 ( -15.998 -7.241 8.114) 19.344 15.992 ( 8.442 -10.361 -4.736) 14.179 16.308 ( -3.235 -5.559 -3.777) 7.459 21.046 ( 1.673 7.014 -2.473) 7.623 21.280 ( -5.696 24.687 -5.994) 26.035 21.658 ( 6.424 -5.067 -3.942) 9.081 22.506 ( -17.008 -5.246 -11.042) 20.945 ======================= Grid point 58 (25/120) ======================= q-point: ( 0.44 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 8.912 -2.535 2.171) 9.516 1.592 ( -4.287 -5.285 0.841) 6.857 1.889 ( 6.864 3.434 27.326) 28.384 1.987 ( -2.723 4.175 13.334) 14.236 2.174 ( 3.716 1.042 16.530) 16.974 2.219 ( -1.601 -2.005 27.740) 27.858 3.297 ( 16.238 -2.843 8.879) 18.724 3.616 ( -15.721 -11.043 6.625) 20.323 4.327 ( 0.826 1.705 5.430) 5.751 4.341 ( -0.236 -0.469 10.348) 10.361 4.454 ( 0.952 8.029 4.723) 9.363 4.472 ( 1.456 1.787 9.088) 9.376 4.525 ( -2.913 2.279 8.707) 9.460 4.555 ( -7.771 12.803 1.594) 15.061 5.216 ( 6.607 -7.941 0.823) 10.362 5.329 ( -5.141 -7.367 -0.107) 8.984 5.860 ( 11.999 5.510 -3.717) 13.716 6.105 ( -11.293 0.361 -2.842) 11.651 6.770 ( 9.412 1.421 -9.594) 13.515 6.969 ( -10.179 -2.363 -8.926) 13.742 7.857 ( 2.394 -1.181 -6.849) 7.350 7.881 ( -0.042 -0.759 -9.617) 9.647 8.087 ( 5.912 2.062 -12.058) 13.587 8.184 ( -3.871 0.700 -7.651) 8.603 8.691 ( 3.969 -0.723 17.395) 17.857 8.718 ( 1.476 -0.753 14.233) 14.329 8.817 ( 0.201 -1.703 21.545) 21.613 8.869 ( -4.841 -2.009 21.419) 22.051 9.365 ( 6.394 0.423 3.571) 7.336 9.448 ( 1.873 -1.304 1.302) 2.628 9.519 ( -1.518 0.547 8.444) 8.597 9.565 ( -9.985 -0.575 7.091) 12.260 11.910 ( 3.278 0.489 27.716) 27.913 12.004 ( -6.533 -1.832 33.336) 34.019 14.267 ( 15.317 5.836 -3.566) 16.775 14.566 ( -15.358 0.760 -0.196) 15.378 16.132 ( 6.038 -6.933 -5.613) 10.772 16.233 ( -4.437 -5.402 -5.009) 8.600 21.099 ( 3.520 8.187 -3.205) 9.470 21.180 ( -4.688 13.054 -4.055) 14.451 21.858 ( 13.569 -3.896 -5.638) 15.201 22.165 ( -17.182 -5.094 -7.757) 19.528 ======================= Grid point 63 (26/120) ======================= q-point: ( 0.00 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 17.674 4.377) 18.208 1.023 ( 0.000 17.579 3.289) 17.884 1.275 ( 0.000 -12.592 2.525) 12.843 1.498 ( 0.000 -20.403 -3.189) 20.651 1.927 ( 0.000 16.777 50.562) 53.273 2.227 ( 0.000 -11.659 42.593) 44.160 3.329 ( 0.000 28.520 9.470) 30.051 3.922 ( 0.000 -28.099 6.331) 28.804 4.367 ( 0.000 0.723 7.785) 7.818 4.376 ( 0.000 0.106 8.218) 8.219 4.551 ( 0.000 4.178 11.318) 12.064 4.647 ( 0.000 -4.721 10.304) 11.334 4.716 ( 0.000 3.881 0.337) 3.896 4.827 ( 0.000 -5.867 -0.696) 5.908 5.422 ( 0.000 13.712 -24.937) 28.458 5.590 ( 0.000 -2.596 -10.084) 10.413 5.758 ( 0.000 0.229 -6.495) 6.499 5.759 ( 0.000 0.659 -1.798) 1.915 7.019 ( 0.000 1.800 -9.874) 10.037 7.061 ( 0.000 -2.333 -9.657) 9.935 7.707 ( 0.000 4.114 -5.905) 7.197 7.768 ( 0.000 2.070 -16.645) 16.774 7.877 ( 0.000 9.505 -0.211) 9.507 8.132 ( 0.000 -10.999 -1.283) 11.073 8.379 ( 0.000 7.579 15.357) 17.125 8.564 ( 0.000 -9.969 11.215) 15.005 8.678 ( 0.000 6.951 10.481) 12.577 8.880 ( 0.000 -12.915 10.319) 16.531 9.287 ( 0.000 2.208 24.938) 25.035 9.343 ( 0.000 -3.322 22.296) 22.542 9.928 ( 0.000 13.102 -7.064) 14.885 10.160 ( 0.000 -9.350 -9.117) 13.059 12.043 ( 0.000 11.613 29.762) 31.947 12.408 ( 0.000 -25.084 38.528) 45.974 13.738 ( 0.000 14.740 9.521) 17.548 14.190 ( 0.000 -33.313 39.109) 51.373 15.855 ( 0.000 15.166 -0.267) 15.168 16.155 ( 0.000 -13.306 -1.918) 13.443 21.212 ( 0.000 9.071 -1.298) 9.163 21.426 ( 0.000 -11.444 -1.505) 11.543 22.938 ( 0.000 7.605 -18.629) 20.122 22.977 ( 0.000 6.745 -35.637) 36.269 ======================= Grid point 64 (27/120) ======================= q-point: ( 0.11 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 5.441 14.807 6.312) 16.991 1.207 ( 10.685 -1.553 1.255) 10.870 1.322 ( 8.934 1.351 2.649) 9.415 1.613 ( 10.259 -15.403 -2.365) 18.657 1.945 ( 1.849 15.051 48.572) 50.884 2.212 ( -1.427 -10.328 42.023) 43.297 3.289 ( -3.626 26.001 9.525) 27.927 3.837 ( -7.626 -26.314 5.969) 28.040 4.365 ( -0.268 0.777 8.524) 8.564 4.376 ( -0.008 -0.130 8.322) 8.323 4.538 ( -1.166 3.977 11.038) 11.790 4.626 ( -1.943 -4.056 9.454) 10.469 4.746 ( 2.904 4.456 1.058) 5.422 4.848 ( 0.614 -4.245 0.660) 4.339 5.367 ( -3.906 14.379 -18.617) 23.845 5.594 ( -2.633 -7.752 -12.849) 15.235 5.707 ( -3.242 2.568 -2.683) 4.930 5.751 ( 0.353 -1.546 -2.506) 2.966 6.990 ( -1.592 5.883 -9.865) 11.596 7.107 ( 2.603 -5.412 -10.150) 11.794 7.718 ( 1.136 4.198 -6.852) 8.116 7.796 ( 2.201 -1.566 -16.903) 17.118 7.893 ( 1.977 11.398 -0.952) 11.607 8.138 ( 0.794 -10.172 -1.956) 10.389 8.413 ( 3.254 6.758 15.246) 16.991 8.569 ( 0.714 -7.092 10.549) 12.731 8.707 ( 2.634 4.470 12.799) 13.811 8.885 ( 0.412 -12.320 11.725) 17.013 9.285 ( -0.065 2.158 23.567) 23.666 9.333 ( -0.712 -2.532 21.539) 21.699 9.881 ( -4.545 12.274 -5.772) 14.304 10.099 ( -6.004 -8.825 -8.064) 13.377 12.021 ( -2.081 10.195 29.493) 31.275 12.325 ( -7.279 -20.137 39.758) 45.157 13.812 ( 7.591 17.759 7.306) 20.649 14.326 ( 11.246 -35.621 28.636) 47.067 15.852 ( 0.084 15.269 -1.068) 15.306 16.153 ( -0.153 -13.407 -1.916) 13.544 21.206 ( -0.510 9.079 -1.440) 9.207 21.417 ( -0.703 -11.065 -1.700) 11.216 22.652 ( -21.510 22.502 -22.285) 38.284 22.926 ( -9.643 -5.583 -23.077) 25.627 ======================= Grid point 65 (28/120) ======================= q-point: ( 0.22 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 10.119 8.981 6.123) 14.851 1.327 ( 5.152 -14.178 1.725) 15.184 1.632 ( 16.734 11.112 6.796) 21.205 1.843 ( 12.068 -8.101 -2.032) 14.676 2.000 ( 3.902 9.666 40.217) 41.546 2.175 ( -2.290 -7.332 41.126) 41.837 3.218 ( -2.794 20.406 9.429) 22.652 3.672 ( -8.345 -22.921 5.889) 25.094 4.355 ( -0.754 0.791 9.789) 9.850 4.370 ( -0.700 -0.527 8.731) 8.775 4.514 ( -1.118 3.374 10.276) 10.874 4.580 ( -2.421 -2.772 8.423) 9.192 4.798 ( -1.176 4.747 2.616) 5.546 4.835 ( 1.695 1.283 1.761) 2.760 5.277 ( -6.828 10.136 -9.457) 15.453 5.441 ( -10.048 -6.257 -7.342) 13.928 5.695 ( 2.194 3.889 -2.719) 5.228 5.829 ( 7.286 -8.821 -4.392) 12.255 6.950 ( -2.930 9.354 -10.177) 14.130 7.122 ( -1.657 -7.312 -9.982) 12.484 7.751 ( 2.199 3.390 -7.764) 8.753 7.829 ( 1.085 -3.677 -13.293) 13.835 7.963 ( 4.898 10.708 -6.147) 13.282 8.165 ( 1.682 -7.907 -4.269) 9.142 8.495 ( 4.826 4.557 15.050) 16.449 8.595 ( 1.916 -3.842 10.839) 11.658 8.762 ( 2.541 1.987 17.060) 17.362 8.888 ( -0.429 -9.952 15.899) 18.762 9.291 ( 0.833 2.124 19.458) 19.592 9.329 ( 0.590 -1.510 18.209) 18.281 9.766 ( -6.724 9.471 -2.917) 11.976 9.939 ( -9.893 -7.146 -5.309) 13.309 11.974 ( -2.376 7.307 28.840) 29.846 12.173 ( -7.535 -12.089 38.530) 41.079 14.009 ( 11.532 19.609 1.363) 22.789 14.524 ( 7.393 -31.329 12.129) 34.399 15.875 ( 2.556 12.503 -2.176) 12.945 16.148 ( -0.465 -12.756 -2.089) 12.934 21.200 ( 0.143 9.411 -1.873) 9.596 21.411 ( 0.356 -10.703 -2.149) 10.922 22.219 ( -20.610 29.701 -14.690) 39.022 22.650 ( -17.037 -13.200 -15.792) 26.718 ======================= Grid point 66 (29/120) ======================= q-point: ( 0.33 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 9.369 4.173 4.762) 11.308 1.425 ( 4.377 -9.788 2.271) 10.960 1.881 ( 8.412 9.644 25.712) 28.721 2.049 ( 8.460 -2.511 -2.825) 9.266 2.095 ( 4.401 1.716 20.558) 21.094 2.129 ( -1.419 -4.168 38.935) 39.183 3.205 ( 1.828 12.854 9.021) 15.810 3.525 ( -6.703 -17.648 6.437) 19.945 4.337 ( -0.942 0.471 10.579) 10.631 4.350 ( -1.186 -0.600 9.487) 9.580 4.500 ( -0.260 2.392 9.426) 9.728 4.540 ( -1.619 -1.191 8.091) 8.337 4.735 ( -2.707 10.998 2.613) 11.624 4.909 ( 4.339 -3.052 2.967) 6.078 5.075 ( -12.246 7.743 -3.810) 14.981 5.270 ( -7.645 -9.069 -2.171) 12.059 5.804 ( 8.412 7.594 -4.114) 12.057 5.991 ( 7.927 -10.212 -4.022) 13.538 6.873 ( -4.461 9.313 -10.197) 14.513 7.040 ( -6.334 -6.847 -9.636) 13.411 7.800 ( 2.517 1.567 -7.762) 8.308 7.846 ( 0.768 -2.456 -10.548) 10.858 8.064 ( 4.913 6.923 -9.218) 12.532 8.192 ( 0.791 -4.554 -6.749) 8.180 8.593 ( 4.956 1.838 14.294) 15.240 8.643 ( 2.877 -2.142 12.587) 13.088 8.796 ( 0.874 0.795 21.150) 21.183 8.864 ( -1.925 -5.809 20.669) 21.556 9.321 ( 2.272 2.216 12.971) 13.354 9.361 ( 2.582 -1.643 11.981) 12.365 9.636 ( -6.262 4.949 1.347) 8.094 9.733 ( -10.618 -4.299 -0.928) 11.493 11.936 ( -1.338 4.297 28.350) 28.705 12.045 ( -5.439 -6.177 34.673) 35.636 14.231 ( 10.693 16.023 -3.904) 19.655 14.594 ( 0.008 -17.975 0.434) 17.980 15.948 ( 4.562 5.703 -2.648) 7.769 16.133 ( -1.108 -10.293 -2.420) 10.632 21.223 ( 2.469 10.013 -2.504) 10.613 21.430 ( 1.037 -9.096 -2.667) 9.535 21.897 ( -11.414 24.514 -9.648) 28.711 22.308 ( -17.129 -14.749 -10.820) 25.060 ======================= Grid point 67 (30/120) ======================= q-point: ( 0.44 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 5.327 -0.116 3.316) 6.276 1.475 ( 0.269 -4.823 2.558) 5.466 1.994 ( 4.127 5.787 38.079) 38.736 2.064 ( -3.173 1.236 38.915) 39.063 2.166 ( 3.409 -1.387 0.451) 3.708 2.182 ( 1.750 -1.030 3.666) 4.191 3.283 ( 5.551 2.330 8.228) 10.195 3.401 ( -6.217 -8.867 7.292) 13.056 4.325 ( -0.208 -0.180 10.613) 10.616 4.330 ( -0.744 -0.646 10.427) 10.473 4.503 ( 0.468 1.164 8.979) 9.067 4.516 ( -0.901 -0.094 8.654) 8.701 4.730 ( 2.764 13.900 1.280) 14.230 4.850 ( -9.184 13.635 -0.391) 16.444 5.011 ( 5.425 -11.192 1.822) 12.570 5.130 ( -6.703 -11.647 0.711) 13.457 5.984 ( 8.619 5.963 -3.994) 11.216 6.081 ( -0.073 -3.104 -3.585) 4.743 6.820 ( 0.440 3.499 -10.094) 10.692 6.902 ( -6.840 -4.002 -9.655) 12.491 7.841 ( 1.493 -0.141 -8.016) 8.156 7.855 ( -0.020 -1.365 -9.024) 9.127 8.145 ( 3.259 3.074 -9.464) 10.471 8.189 ( -1.184 -0.802 -8.439) 8.560 8.676 ( 3.141 -0.196 13.026) 13.401 8.694 ( 1.560 -1.525 12.915) 13.098 8.801 ( 0.035 0.139 24.744) 24.745 8.822 ( -2.039 -1.942 24.042) 24.207 9.383 ( 3.969 1.305 2.592) 4.916 9.415 ( 2.139 -1.738 1.977) 3.392 9.533 ( -3.834 0.833 9.302) 10.095 9.551 ( -6.959 -0.812 8.432) 10.963 11.928 ( 0.583 1.275 28.840) 28.874 11.962 ( -2.995 -2.039 30.984) 31.195 14.416 ( 8.051 7.779 -6.376) 12.884 14.543 ( -4.824 -3.786 -5.277) 8.090 16.036 ( 4.049 -0.941 -2.808) 5.016 16.100 ( -2.430 -6.200 -2.710) 7.189 21.298 ( 5.090 9.854 -3.131) 11.524 21.402 ( -4.445 3.487 -3.310) 6.547 21.822 ( 4.096 3.869 -7.457) 9.347 22.005 ( -13.260 -10.194 -8.045) 18.561 ======================= Grid point 90 (31/120) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 0.000 22.946) 22.946 1.091 ( 0.000 0.000 27.035) 27.035 1.631 ( 0.000 0.000 2.411) 2.411 1.776 ( 0.000 0.000 -12.346) 12.346 2.695 ( 0.000 0.000 55.661) 55.661 3.044 ( 0.000 0.000 29.016) 29.016 3.291 ( 0.000 0.000 43.770) 43.770 4.373 ( 0.000 0.000 -1.839) 1.839 4.525 ( 0.000 0.000 1.227) 1.227 4.604 ( 0.000 0.000 7.042) 7.042 4.688 ( 0.000 0.000 13.185) 13.185 4.753 ( 0.000 0.000 19.368) 19.368 4.946 ( 0.000 0.000 -0.211) 0.211 5.106 ( 0.000 0.000 18.265) 18.265 5.235 ( 0.000 0.000 -4.619) 4.619 5.270 ( 0.000 0.000 14.909) 14.909 5.683 ( 0.000 0.000 -3.296) 3.296 5.746 ( 0.000 0.000 1.549) 1.549 6.837 ( 0.000 0.000 -9.316) 9.316 7.060 ( 0.000 0.000 -4.339) 4.339 7.136 ( 0.000 0.000 -24.203) 24.203 7.423 ( 0.000 0.000 -8.365) 8.365 7.513 ( 0.000 0.000 -8.589) 8.589 8.492 ( 0.000 0.000 11.818) 11.818 8.765 ( 0.000 0.000 12.234) 12.234 8.825 ( 0.000 0.000 29.760) 29.760 9.172 ( 0.000 0.000 11.302) 11.302 9.236 ( 0.000 0.000 -8.695) 8.695 9.491 ( 0.000 0.000 11.980) 11.980 9.616 ( 0.000 0.000 6.778) 6.778 9.760 ( 0.000 0.000 23.083) 23.083 10.082 ( 0.000 0.000 -14.229) 14.229 12.326 ( 0.000 0.000 23.678) 23.678 13.173 ( 0.000 0.000 -7.741) 7.741 13.330 ( 0.000 0.000 -7.440) 7.440 15.381 ( 0.000 0.000 -1.775) 1.775 16.354 ( 0.000 0.000 -6.296) 6.296 18.217 ( 0.000 0.000 -13.865) 13.865 20.489 ( 0.000 0.000 -4.960) 4.960 21.001 ( 0.000 0.000 -1.692) 1.692 21.697 ( 0.000 0.000 -5.196) 5.196 22.402 ( 0.000 0.000 -13.295) 13.295 ======================= Grid point 91 (32/120) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 23.963 0.000 14.200) 27.855 1.149 ( 5.526 0.000 24.505) 25.120 1.670 ( 3.841 0.000 2.146) 4.400 1.760 ( -1.420 0.000 -10.612) 10.707 2.737 ( 4.232 0.000 55.718) 55.878 3.067 ( 2.036 0.000 26.499) 26.577 3.294 ( 0.205 0.000 44.232) 44.232 4.386 ( 0.347 0.000 -1.387) 1.430 4.487 ( -3.969 0.000 -0.532) 4.004 4.604 ( 0.238 0.000 10.264) 10.267 4.686 ( -0.335 0.000 12.669) 12.673 4.711 ( -4.694 0.000 12.863) 13.692 4.831 ( -2.900 0.000 5.920) 6.592 5.055 ( -2.909 0.000 17.668) 17.905 5.192 ( -8.125 0.000 14.249) 16.403 5.485 ( 13.840 0.000 -4.383) 14.517 5.638 ( -4.048 0.000 -2.739) 4.888 5.756 ( 3.286 0.000 0.792) 3.380 6.738 ( -7.724 0.000 -6.139) 9.866 7.133 ( 4.240 0.000 -6.558) 7.809 7.190 ( 5.124 0.000 -25.330) 25.844 7.453 ( 3.165 0.000 -6.861) 7.556 7.507 ( -0.330 0.000 -10.274) 10.279 8.470 ( -2.247 0.000 10.626) 10.861 8.789 ( 2.269 0.000 11.867) 12.082 8.859 ( 3.459 0.000 27.622) 27.838 9.178 ( 0.679 0.000 12.657) 12.675 9.240 ( 0.377 0.000 -6.700) 6.711 9.499 ( 0.738 0.000 11.661) 11.684 9.566 ( -4.211 0.000 8.775) 9.733 9.791 ( 2.323 0.000 21.602) 21.727 10.043 ( -3.837 0.000 -12.169) 12.760 12.330 ( 0.534 0.000 24.460) 24.466 13.252 ( 7.868 0.000 -7.682) 10.997 13.278 ( -5.073 0.000 -2.356) 5.593 15.416 ( 2.981 0.000 -2.262) 3.742 16.331 ( -2.271 0.000 -6.713) 7.087 17.695 ( -46.956 0.000 3.731) 47.104 20.539 ( 4.966 0.000 -5.152) 7.155 20.972 ( -1.970 0.000 -1.902) 2.739 21.671 ( -2.484 0.000 -5.147) 5.716 22.460 ( 3.215 0.000 -17.247) 17.544 ======================= Grid point 92 (33/120) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 8.086 0.000 18.827) 20.490 1.467 ( 21.818 0.000 6.109) 22.657 1.734 ( -0.947 0.000 -6.481) 6.550 1.769 ( 5.883 0.000 1.569) 6.089 2.849 ( 6.531 0.000 55.420) 55.804 3.125 ( 4.732 0.000 21.662) 22.172 3.295 ( -0.314 0.000 45.732) 45.734 4.338 ( -4.640 0.000 -1.218) 4.797 4.375 ( -7.148 0.000 -0.039) 7.148 4.617 ( 1.059 0.000 12.315) 12.360 4.672 ( -1.167 0.000 12.056) 12.112 4.676 ( 0.709 0.000 14.728) 14.745 4.880 ( 7.854 0.000 5.493) 9.585 4.959 ( -14.904 0.000 12.926) 19.729 4.984 ( -4.116 0.000 17.174) 17.661 5.551 ( -4.478 0.000 -1.017) 4.592 5.583 ( -0.773 0.000 -2.432) 2.552 5.984 ( 16.805 0.000 -4.166) 17.313 6.568 ( -9.846 0.000 -3.897) 10.589 7.151 ( -2.955 0.000 -6.476) 7.118 7.310 ( 6.442 0.000 -26.776) 27.540 7.521 ( 1.937 0.000 -14.382) 14.512 7.552 ( 7.047 0.000 -4.078) 8.142 8.401 ( -4.918 0.000 7.100) 8.637 8.848 ( 3.662 0.000 11.423) 11.995 8.952 ( 5.709 0.000 22.577) 23.287 9.204 ( 2.022 0.000 15.742) 15.872 9.247 ( 0.247 0.000 -2.067) 2.081 9.473 ( -5.113 0.000 10.404) 11.592 9.513 ( 0.357 0.000 9.467) 9.474 9.833 ( 1.741 0.000 21.202) 21.273 9.947 ( -5.397 0.000 -5.307) 7.569 12.355 ( 2.171 0.000 26.642) 26.730 13.144 ( -8.441 0.000 9.519) 12.723 13.467 ( 13.760 0.000 -7.280) 15.567 15.451 ( -1.545 0.000 0.650) 1.677 16.270 ( -3.842 0.000 -7.854) 8.744 16.700 ( -47.447 0.000 15.532) 49.924 20.670 ( 8.010 0.000 -5.606) 9.777 20.945 ( -0.773 0.000 -3.185) 3.278 21.619 ( -2.152 0.000 -5.257) 5.681 22.448 ( -5.081 0.000 -18.232) 18.927 ======================= Grid point 93 (34/120) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 7.589 0.000 12.721) 14.813 1.697 ( -0.491 0.000 -2.377) 2.427 1.820 ( 11.256 0.000 2.757) 11.589 1.883 ( 5.401 0.000 1.047) 5.501 2.968 ( 5.767 0.000 52.363) 52.680 3.273 ( -2.181 0.000 48.175) 48.225 3.296 ( 13.118 0.000 19.523) 23.521 4.213 ( -9.753 0.000 3.392) 10.326 4.258 ( -2.807 0.000 -1.211) 3.057 4.559 ( -12.534 0.000 4.091) 13.185 4.657 ( 1.702 0.000 15.243) 15.338 4.681 ( -0.182 0.000 17.535) 17.536 4.719 ( -4.670 0.000 16.343) 16.997 4.889 ( -4.876 0.000 16.923) 17.611 5.127 ( 14.735 0.000 3.830) 15.224 5.472 ( -3.475 0.000 0.468) 3.506 5.570 ( 1.000 0.000 -3.819) 3.948 6.309 ( 15.746 0.000 -5.719) 16.753 6.340 ( -13.773 0.000 -3.250) 14.151 7.031 ( -8.615 0.000 -6.186) 10.606 7.428 ( 5.525 0.000 -25.009) 25.612 7.563 ( 1.744 0.000 -17.428) 17.515 7.721 ( 9.817 0.000 -3.469) 10.412 8.278 ( -7.552 0.000 2.608) 7.990 8.931 ( 4.835 0.000 11.963) 12.903 9.068 ( 5.624 0.000 18.124) 18.977 9.246 ( -0.361 0.000 -0.256) 0.443 9.249 ( 2.238 0.000 16.916) 17.064 9.377 ( -4.165 0.000 13.855) 14.467 9.492 ( -2.910 0.000 4.460) 5.326 9.856 ( 0.641 0.000 20.850) 20.860 9.861 ( -2.730 0.000 6.895) 7.416 12.423 ( 5.033 0.000 29.536) 29.962 12.957 ( -10.463 0.000 22.023) 24.382 13.778 ( 17.980 0.000 -5.609) 18.835 15.208 ( -24.954 0.000 13.970) 28.598 16.092 ( -12.288 0.000 -4.228) 12.995 16.187 ( -4.433 0.000 -9.420) 10.411 20.824 ( 6.819 0.000 -5.833) 8.973 20.938 ( -0.069 0.000 -4.205) 4.206 21.619 ( 3.076 0.000 -6.254) 6.970 22.274 ( -11.992 0.000 -15.341) 19.472 ======================= Grid point 94 (35/120) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 5.503 0.000 7.266) 9.115 1.658 ( -3.146 0.000 2.315) 3.906 1.961 ( 3.177 0.000 1.216) 3.401 1.964 ( 2.417 0.000 0.810) 2.549 3.088 ( 6.387 0.000 51.013) 51.411 3.203 ( -4.978 0.000 50.341) 50.586 3.611 ( 18.082 0.000 16.302) 24.346 3.961 ( -16.437 0.000 11.056) 19.809 4.239 ( 1.130 0.000 -1.550) 1.918 4.322 ( -8.215 0.000 -0.540) 8.232 4.677 ( -0.133 0.000 17.089) 17.090 4.678 ( -0.188 0.000 16.590) 16.591 4.719 ( 3.115 0.000 15.546) 15.855 4.795 ( -4.502 0.000 16.326) 16.935 5.349 ( 5.965 0.000 4.238) 7.318 5.415 ( -2.488 0.000 1.796) 3.068 5.703 ( 13.849 0.000 -5.139) 14.772 6.031 ( -17.424 0.000 -3.566) 17.785 6.593 ( 13.406 0.000 -6.021) 14.696 6.834 ( -11.275 0.000 -6.086) 12.813 7.522 ( 3.890 0.000 -22.165) 22.503 7.572 ( -1.068 0.000 -19.726) 19.755 7.920 ( 10.203 0.000 -2.987) 10.631 8.112 ( -9.314 0.000 -0.972) 9.365 9.033 ( 5.406 0.000 13.524) 14.564 9.120 ( -2.008 0.000 17.961) 18.073 9.254 ( 2.263 0.000 -6.903) 7.265 9.278 ( 0.443 0.000 10.875) 10.884 9.337 ( 0.529 0.000 20.678) 20.685 9.404 ( -5.285 0.000 6.745) 8.569 9.843 ( 0.459 0.000 16.290) 16.297 9.857 ( -0.529 0.000 19.708) 19.715 12.555 ( 8.464 0.000 31.620) 32.733 12.746 ( -10.701 0.000 29.960) 31.814 14.169 ( 22.196 0.000 -0.959) 22.216 14.656 ( -27.667 0.000 8.111) 28.832 16.036 ( 2.059 0.000 -11.369) 11.554 16.102 ( -4.125 0.000 -10.943) 11.695 20.914 ( 2.482 0.000 -5.387) 5.931 20.936 ( -0.258 0.000 -4.820) 4.827 21.757 ( 10.786 0.000 -8.675) 13.842 22.010 ( -14.138 0.000 -11.854) 18.450 ======================= Grid point 99 (36/120) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 9.951 18.961) 21.413 1.101 ( 0.000 1.669 23.258) 23.318 1.558 ( 0.000 -6.874 3.882) 7.895 1.677 ( 0.000 -9.058 -8.821) 12.643 2.798 ( 0.000 9.100 54.656) 55.408 3.206 ( 0.000 15.192 25.249) 29.467 3.278 ( 0.000 -1.796 44.449) 44.485 4.369 ( 0.000 -2.654 -0.171) 2.659 4.550 ( 0.000 1.307 6.785) 6.910 4.623 ( 0.000 -5.235 12.697) 13.734 4.652 ( 0.000 4.464 -2.195) 4.974 4.780 ( 0.000 1.545 16.741) 16.812 4.899 ( 0.000 -14.753 7.713) 16.648 4.931 ( 0.000 -1.557 -2.425) 2.881 5.112 ( 0.000 1.452 19.830) 19.883 5.505 ( 0.000 5.155 2.537) 5.746 5.640 ( 0.000 -1.457 -3.980) 4.238 5.750 ( 0.000 0.320 1.217) 1.258 6.834 ( 0.000 -0.242 -9.390) 9.393 6.953 ( 0.000 -5.507 -10.353) 11.727 7.265 ( 0.000 7.410 -18.988) 20.383 7.508 ( 0.000 -0.671 -9.928) 9.950 7.551 ( 0.000 11.718 -5.333) 12.875 8.413 ( 0.000 -7.844 8.078) 11.260 8.762 ( 0.000 0.237 18.335) 18.337 8.859 ( 0.000 3.049 22.521) 22.727 8.982 ( 0.000 -8.651 9.732) 13.021 9.300 ( 0.000 -6.550 9.589) 11.612 9.535 ( 0.000 9.951 -3.943) 10.703 9.673 ( 0.000 3.325 11.554) 12.023 9.757 ( 0.000 -0.313 22.126) 22.128 10.051 ( 0.000 -3.183 -13.252) 13.628 12.375 ( 0.000 4.890 21.335) 21.888 13.053 ( 0.000 -10.722 -4.173) 11.506 13.498 ( 0.000 16.586 -0.555) 16.596 15.466 ( 0.000 5.880 -2.591) 6.426 16.285 ( 0.000 -6.544 -5.617) 8.624 16.843 ( 0.000 -88.661 28.064) 92.997 21.019 ( 0.000 6.735 -3.566) 7.621 21.466 ( 0.000 51.911 -31.214) 60.573 21.591 ( 0.000 -9.070 -4.294) 10.035 22.457 ( 0.000 3.720 -16.471) 16.886 ======================= Grid point 100 (37/120) ======================= q-point: ( 0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 18.622 4.571 16.379) 25.218 1.169 ( 7.909 3.150 17.668) 19.612 1.585 ( 2.226 -8.022 2.957) 8.835 1.700 ( 2.751 -5.345 -7.120) 9.318 2.827 ( 2.899 7.961 54.570) 55.223 3.189 ( -0.980 9.682 27.436) 29.111 3.289 ( 0.360 1.019 41.174) 41.188 4.330 ( -5.396 -8.582 1.584) 10.260 4.529 ( -2.238 2.732 2.562) 4.363 4.613 ( -0.012 -2.606 11.480) 11.772 4.634 ( -0.993 3.168 3.102) 4.543 4.759 ( -1.888 2.503 11.055) 11.491 4.790 ( -0.297 -2.679 9.874) 10.236 5.073 ( -1.755 2.545 16.378) 16.667 5.101 ( 2.794 -6.526 8.663) 11.200 5.554 ( 2.466 -2.177 -2.135) 3.922 5.585 ( -3.274 1.462 -3.129) 4.758 5.755 ( 2.082 -0.395 0.745) 2.246 6.759 ( -5.579 1.985 -6.802) 9.018 7.025 ( 4.782 -6.071 -11.312) 13.699 7.296 ( 2.663 5.919 -20.257) 21.272 7.501 ( -0.286 -0.613 -11.555) 11.575 7.577 ( 2.659 11.200 -4.616) 12.403 8.396 ( -1.824 -7.512 7.111) 10.503 8.767 ( 0.695 -0.661 15.250) 15.281 8.895 ( 3.595 2.137 24.022) 24.384 9.030 ( 4.399 -6.205 11.215) 13.551 9.304 ( 0.323 -5.687 9.018) 10.666 9.494 ( -3.645 7.478 -0.768) 8.355 9.646 ( -2.167 4.033 11.652) 12.520 9.788 ( 2.284 -0.153 20.070) 20.200 10.014 ( -3.551 -2.873 -10.864) 11.786 12.380 ( 0.655 5.015 22.587) 23.146 13.068 ( 0.700 -11.803 0.178) 11.825 13.509 ( 1.918 17.478 -1.120) 17.618 15.510 ( 4.013 7.154 -3.518) 8.925 16.226 ( -7.425 -14.999 -2.297) 16.893 16.621 ( -19.371 -68.633 25.672) 75.794 21.016 ( -0.443 5.618 -3.032) 6.400 21.306 ( -11.156 45.888 -21.675) 51.961 21.585 ( -1.797 -5.801 -5.370) 8.106 22.483 ( 0.550 0.963 -19.534) 19.565 ======================= Grid point 101 (38/120) ======================= q-point: ( 0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 8.297 -0.487 18.168) 19.979 1.508 ( 19.073 2.960 3.299) 19.581 1.630 ( 2.970 -6.942 1.670) 7.733 1.790 ( 5.993 -0.015 -3.062) 6.730 2.903 ( 4.531 4.956 54.071) 54.487 3.194 ( 2.043 4.355 27.455) 27.873 3.281 ( -0.901 1.081 39.165) 39.191 4.177 ( -8.655 -13.817 3.599) 16.696 4.455 ( -4.943 6.221 -0.988) 8.007 4.624 ( 0.656 -0.276 14.290) 14.308 4.644 ( 0.983 1.178 9.559) 9.681 4.741 ( -0.860 3.093 15.896) 16.217 4.860 ( 7.608 -0.244 5.133) 9.181 4.991 ( -5.063 0.767 17.484) 18.219 5.054 ( -7.438 6.132 6.766) 11.778 5.472 ( -4.334 -6.775 -1.817) 8.246 5.594 ( -0.906 1.101 -2.479) 2.860 5.910 ( 12.175 -6.491 -3.240) 14.172 6.637 ( -6.819 5.964 -5.120) 10.406 7.075 ( -0.928 -6.082 -8.662) 10.625 7.358 ( 3.850 3.557 -22.956) 23.547 7.513 ( 1.685 -0.705 -14.999) 15.110 7.657 ( 5.549 9.365 -3.833) 11.541 8.341 ( -3.805 -6.079 4.570) 8.504 8.798 ( 2.600 -2.091 11.776) 12.239 8.986 ( 5.062 0.327 24.524) 25.043 9.131 ( 5.423 -2.466 12.030) 13.424 9.306 ( -0.326 -2.414 7.415) 7.805 9.418 ( -3.666 3.472 6.002) 7.843 9.596 ( -2.971 3.319 8.830) 9.891 9.828 ( 1.635 -0.266 19.260) 19.331 9.927 ( -4.692 -1.827 -2.953) 5.837 12.405 ( 2.012 4.989 25.818) 26.373 13.040 ( -4.172 -9.559 13.672) 17.195 13.610 ( 8.844 14.335 -5.611) 17.754 15.554 ( -5.420 8.403 2.740) 10.368 15.909 ( -18.548 -44.235 9.886) 48.974 16.330 ( -8.339 -13.910 1.495) 16.287 20.993 ( -1.660 6.131 -2.643) 6.880 21.157 ( -3.486 35.434 -13.998) 38.258 21.539 ( -1.899 -7.017 -4.687) 8.649 22.421 ( -7.125 -3.392 -19.138) 20.701 ======================= Grid point 102 (39/120) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 7.415 -0.792 12.154) 14.259 1.638 ( 0.708 -5.397 0.394) 5.458 1.844 ( 11.500 2.525 1.787) 11.909 1.910 ( 5.768 2.023 -0.835) 6.169 2.991 ( 4.517 2.065 52.121) 52.357 3.229 ( -1.367 -3.977 47.822) 48.007 3.323 ( 8.241 3.345 18.376) 20.416 4.007 ( -9.252 -14.433 6.355) 18.284 4.369 ( -2.869 8.818 -0.328) 9.278 4.627 ( -1.841 0.491 12.309) 12.456 4.655 ( 0.959 1.305 12.396) 12.501 4.725 ( -0.633 2.278 16.202) 16.373 4.806 ( -10.038 9.131 9.571) 16.605 4.901 ( -5.918 1.771 16.105) 17.249 5.098 ( 11.242 -2.981 4.246) 12.381 5.409 ( -2.603 -5.570 1.233) 6.271 5.600 ( 3.165 2.997 -4.473) 6.246 6.117 ( 5.595 -10.600 -4.307) 12.736 6.516 ( -3.352 9.026 -5.531) 11.104 6.983 ( -7.665 -4.502 -6.882) 11.242 7.446 ( 4.717 1.613 -23.036) 23.570 7.553 ( 1.793 -0.910 -17.202) 17.319 7.790 ( 7.839 6.298 -3.678) 10.707 8.246 ( -5.935 -3.366 1.418) 6.969 8.867 ( 4.304 -3.515 9.559) 11.057 9.063 ( 2.008 -3.825 19.998) 20.459 9.229 ( 4.456 1.427 7.973) 9.244 9.296 ( -0.302 1.661 8.157) 8.330 9.363 ( -1.789 1.163 16.305) 16.444 9.524 ( -4.485 1.213 4.878) 6.737 9.848 ( -0.052 -0.446 14.931) 14.938 9.859 ( -1.345 -0.288 13.325) 13.396 12.465 ( 4.272 4.093 29.831) 30.412 12.913 ( -8.238 -4.676 26.441) 28.087 13.844 ( 14.535 7.468 -8.122) 18.248 15.115 ( -29.303 -13.609 14.113) 35.256 15.856 ( 5.300 -9.643 -8.253) 13.754 16.204 ( -5.699 -3.556 -6.029) 9.027 20.980 ( 0.649 7.311 -3.701) 8.220 21.119 ( -1.817 21.627 -9.195) 23.570 21.552 ( 4.046 -6.066 -6.148) 9.538 22.221 ( -12.630 -5.541 -15.677) 20.880 ======================= Grid point 103 (40/120) ======================= q-point: ( 0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 5.040 -1.480 7.084) 8.819 1.625 ( -2.044 -2.960 3.110) 4.755 1.984 ( 3.397 2.350 0.124) 4.133 1.994 ( 2.215 2.524 0.148) 3.361 3.085 ( 4.948 -0.343 51.064) 51.304 3.174 ( -3.867 -2.680 50.212) 50.432 3.544 ( 13.028 -4.169 14.381) 19.848 3.797 ( -12.223 -10.890 10.314) 19.349 4.372 ( 3.578 10.671 0.307) 11.259 4.502 ( -8.870 10.591 2.091) 13.972 4.677 ( 0.811 0.744 15.954) 15.992 4.693 ( -1.488 2.412 15.735) 15.988 4.737 ( 1.861 1.586 15.121) 15.317 4.801 ( -4.332 0.609 15.911) 16.502 5.270 ( 5.858 -6.919 5.101) 10.403 5.353 ( -3.313 -5.791 3.259) 7.425 5.761 ( 12.782 4.888 -5.572) 14.776 6.028 ( -12.238 -0.725 -4.486) 13.054 6.598 ( 9.648 0.726 -6.302) 11.547 6.802 ( -10.360 -3.019 -6.469) 12.581 7.527 ( 3.293 0.453 -21.034) 21.295 7.567 ( -0.640 -0.483 -19.019) 19.036 7.952 ( 8.488 3.017 -3.078) 9.520 8.112 ( -7.662 -0.155 -1.336) 7.779 8.960 ( 4.979 -5.032 8.668) 11.191 9.047 ( -3.340 -6.117 11.386) 13.349 9.296 ( 1.601 3.110 -2.860) 4.518 9.305 ( 0.872 2.032 14.166) 14.338 9.355 ( 1.742 1.583 23.858) 23.974 9.429 ( -4.813 1.265 9.976) 11.148 9.844 ( 0.463 0.078 16.300) 16.306 9.855 ( -0.386 -0.158 19.109) 19.113 12.576 ( 7.164 2.027 33.025) 33.854 12.739 ( -9.090 -0.927 32.826) 34.074 14.169 ( 18.801 0.665 -5.475) 19.593 14.586 ( -24.163 -6.766 2.768) 25.245 15.974 ( 6.228 -3.413 -9.360) 11.749 16.092 ( -5.842 -2.182 -8.394) 10.457 21.013 ( 2.493 8.156 -4.790) 9.781 21.070 ( -3.007 12.394 -6.315) 14.231 21.704 ( 11.027 -4.832 -8.985) 15.023 21.955 ( -13.943 -5.482 -12.089) 19.251 ======================= Grid point 108 (41/120) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 12.354 12.165) 17.338 1.179 ( 0.000 4.434 11.496) 12.321 1.380 ( 0.000 -8.230 8.670) 11.955 1.453 ( 0.000 -11.209 0.682) 11.230 3.014 ( 0.000 10.704 51.630) 52.728 3.196 ( 0.000 -6.543 47.432) 47.881 3.616 ( 0.000 23.371 18.051) 29.530 4.101 ( 0.000 -22.027 10.490) 24.398 4.569 ( 0.000 0.651 10.456) 10.476 4.572 ( 0.000 0.263 9.033) 9.037 4.718 ( 0.000 0.887 -2.396) 2.554 4.728 ( 0.000 -2.108 4.924) 5.357 4.829 ( 0.000 2.251 9.557) 9.818 4.883 ( 0.000 -2.829 -0.329) 2.848 5.209 ( 0.000 8.202 9.892) 12.850 5.405 ( 0.000 -9.552 -1.117) 9.617 5.708 ( 0.000 3.735 -0.173) 3.739 5.750 ( 0.000 -0.660 0.513) 0.836 6.835 ( 0.000 0.570 -9.721) 9.737 6.867 ( 0.000 -2.784 -10.283) 10.654 7.399 ( 0.000 5.320 -17.129) 17.936 7.478 ( 0.000 -2.482 -13.388) 13.616 7.852 ( 0.000 16.438 -1.758) 16.532 8.178 ( 0.000 -14.518 2.042) 14.661 8.787 ( 0.000 2.247 20.264) 20.389 8.853 ( 0.000 -4.357 16.683) 17.242 8.950 ( 0.000 6.109 16.920) 17.989 9.113 ( 0.000 -9.528 13.641) 16.640 9.717 ( 0.000 2.561 11.992) 12.262 9.746 ( 0.000 -0.840 19.265) 19.283 9.768 ( 0.000 9.732 -4.793) 10.849 9.947 ( 0.000 -7.023 -10.858) 12.931 12.532 ( 0.000 10.487 14.750) 18.098 12.788 ( 0.000 -13.815 4.864) 14.646 14.029 ( 0.000 36.237 16.959) 40.009 15.008 ( 0.000 -56.987 28.803) 63.853 15.889 ( 0.000 4.679 4.933) 6.799 16.099 ( 0.000 -11.074 -3.406) 11.586 21.172 ( 0.000 8.943 -2.610) 9.317 21.379 ( 0.000 -10.847 -3.136) 11.291 22.235 ( 0.000 22.737 -33.654) 40.615 22.479 ( 0.000 -3.410 -24.279) 24.518 ======================= Grid point 109 (42/120) ======================= q-point: ( 0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 7.278 6.512 16.020) 18.762 1.274 ( 9.434 1.773 5.576) 11.101 1.417 ( 5.383 -2.744 8.046) 10.062 1.550 ( 8.722 -8.910 -0.893) 12.500 3.017 ( 0.338 9.481 51.430) 52.298 3.180 ( -1.445 -5.886 47.297) 47.683 3.570 ( -4.097 20.402 17.464) 27.166 4.005 ( -8.197 -20.613 9.902) 24.293 4.573 ( 0.432 1.606 9.647) 9.789 4.595 ( 1.287 -0.557 12.077) 12.158 4.709 ( -0.441 3.038 0.051) 3.070 4.749 ( 1.157 -1.341 4.659) 4.984 4.834 ( 1.586 5.021 8.460) 9.965 4.961 ( 5.542 -6.899 5.444) 10.390 5.187 ( -1.660 8.508 7.146) 11.234 5.387 ( -2.173 -10.050 -2.453) 10.570 5.677 ( -2.568 3.812 -0.274) 4.604 5.733 ( -1.062 -1.802 0.362) 2.123 6.818 ( -1.115 3.742 -8.373) 9.238 6.909 ( 2.761 -5.128 -10.103) 11.661 7.405 ( 0.728 4.488 -18.033) 18.597 7.474 ( -0.114 -2.226 -14.635) 14.804 7.863 ( 1.090 15.553 -1.941) 15.712 8.171 ( -0.637 -13.775 1.552) 13.876 8.790 ( 0.448 2.932 17.053) 17.309 8.870 ( 1.837 -4.226 18.522) 19.087 9.014 ( 5.726 4.163 17.149) 18.553 9.142 ( 2.837 -7.918 15.097) 17.281 9.654 ( -5.324 5.468 3.663) 8.465 9.701 ( -3.114 0.623 12.024) 12.436 9.811 ( 1.868 3.690 8.573) 9.518 9.924 ( -2.088 -5.730 -6.435) 8.865 12.540 ( 0.740 10.512 17.185) 20.159 12.796 ( 0.560 -13.837 8.748) 16.381 14.037 ( 0.812 35.184 13.634) 37.742 14.984 ( -3.113 -56.696 26.404) 62.621 15.847 ( -3.099 10.427 1.427) 10.971 16.101 ( -0.121 -12.433 -2.983) 12.786 21.163 ( -0.820 8.842 -2.718) 9.287 21.365 ( -1.161 -10.328 -3.393) 10.933 22.102 ( -11.639 25.910 -27.849) 39.779 22.431 ( -5.502 -7.736 -24.107) 25.908 ======================= Grid point 110 (43/120) ======================= q-point: ( 0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 7.336 3.462 14.147) 16.308 1.423 ( 5.476 -7.988 6.660) 11.754 1.645 ( 15.272 5.678 1.583) 16.371 1.751 ( 10.740 -3.882 -2.436) 11.677 3.027 ( 0.718 6.532 50.985) 51.407 3.151 ( -1.244 -5.233 47.596) 47.899 3.487 ( -3.540 15.410 16.421) 22.796 3.839 ( -7.956 -17.943 9.887) 21.977 4.569 ( -0.907 3.757 7.827) 8.729 4.612 ( 0.502 -1.033 13.791) 13.839 4.693 ( -0.663 3.448 4.680) 5.851 4.757 ( -0.397 -1.971 10.242) 10.437 4.917 ( 5.655 5.118 7.600) 10.767 4.995 ( -2.509 -1.466 15.181) 15.457 5.170 ( -1.718 5.795 0.700) 6.085 5.313 ( -4.225 -7.927 -2.345) 9.284 5.642 ( -0.203 3.911 -1.774) 4.299 5.759 ( 4.750 -7.278 -1.863) 8.888 6.780 ( -3.145 7.492 -7.075) 10.774 6.934 ( -1.061 -7.388 -8.541) 11.343 7.431 ( 2.099 3.339 -19.441) 19.837 7.487 ( 1.556 -2.001 -16.960) 17.148 7.896 ( 2.367 13.073 -2.497) 13.518 8.156 ( -0.930 -11.539 0.243) 11.579 8.810 ( 1.537 3.276 13.383) 13.864 8.913 ( 2.079 -5.881 16.616) 17.748 9.145 ( 7.138 2.814 18.608) 20.127 9.217 ( 4.557 -4.153 18.861) 19.843 9.540 ( -5.988 5.792 1.233) 8.422 9.618 ( -5.219 -1.439 5.761) 7.905 9.835 ( 0.770 1.268 13.281) 13.364 9.879 ( -2.183 -2.645 4.231) 5.446 12.560 ( 1.269 10.020 23.362) 25.452 12.799 ( -0.517 -12.705 19.059) 22.912 14.064 ( 2.023 30.277 4.410) 30.663 14.859 ( -9.757 -47.179 17.387) 51.219 15.818 ( 0.822 13.433 -3.027) 13.795 16.089 ( -1.032 -12.378 -3.486) 12.901 21.147 ( -0.529 9.063 -3.136) 9.605 21.348 ( -0.216 -9.968 -3.916) 10.712 21.851 ( -12.817 27.612 -19.642) 36.228 22.264 ( -11.087 -13.114 -20.376) 26.647 ======================= Grid point 111 (44/120) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 6.288 1.782 9.909) 11.871 1.515 ( 3.788 -5.601 5.640) 8.805 1.906 ( 10.323 2.888 -1.187) 10.784 1.938 ( 7.869 0.093 -2.373) 8.219 3.047 ( 1.352 3.383 50.639) 50.770 3.132 ( -0.883 -4.841 48.983) 49.230 3.457 ( 0.753 9.723 14.901) 17.808 3.706 ( -5.713 -14.093 10.763) 18.631 4.547 ( -0.830 6.507 6.685) 9.366 4.615 ( -0.348 -1.318 14.036) 14.102 4.694 ( 0.822 3.063 9.052) 9.592 4.748 ( -0.311 -0.694 12.794) 12.816 4.910 ( -4.590 2.869 14.112) 15.114 4.995 ( -2.458 -4.096 3.435) 5.884 5.067 ( -2.686 9.321 7.693) 12.381 5.263 ( -2.545 -8.544 2.839) 9.356 5.705 ( 6.970 7.452 -4.926) 11.331 5.895 ( 7.554 -10.607 -4.670) 13.834 6.696 ( -4.900 8.509 -6.818) 11.954 6.859 ( -6.164 -7.297 -7.413) 12.091 7.486 ( 3.158 2.124 -19.674) 20.039 7.526 ( 2.088 -1.698 -17.819) 18.021 7.955 ( 3.581 9.156 -3.081) 10.303 8.133 ( -1.476 -7.557 -1.218) 7.796 8.846 ( 2.051 1.941 9.452) 9.865 8.939 ( 0.361 -6.471 11.434) 13.143 9.274 ( 5.605 2.039 19.470) 20.363 9.301 ( 3.537 -0.605 20.076) 20.394 9.436 ( -4.248 4.423 5.133) 7.997 9.511 ( -5.263 -2.464 4.147) 7.139 9.845 ( 0.179 0.114 14.601) 14.603 9.851 ( -0.450 -0.433 14.673) 14.687 12.589 ( 1.794 7.864 30.651) 31.695 12.768 ( -2.724 -8.826 30.578) 31.943 14.122 ( 4.136 19.917 -6.178) 21.260 14.631 ( -12.505 -28.151 3.504) 31.002 15.871 ( 3.977 7.878 -4.747) 10.021 16.062 ( -1.724 -9.243 -4.442) 10.399 21.155 ( 1.595 9.780 -3.920) 10.656 21.356 ( 0.391 -8.617 -4.329) 9.651 21.641 ( -7.421 22.085 -14.388) 27.383 22.024 ( -12.746 -14.189 -15.793) 24.763 ======================= Grid point 112 (45/120) ======================= q-point: ( 0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 3.311 -0.206 6.508) 7.305 1.560 ( 0.588 -2.740 5.041) 5.767 2.037 ( 3.313 2.081 -1.991) 4.390 2.044 ( 2.651 1.540 -1.806) 3.558 3.078 ( 1.735 0.168 50.454) 50.484 3.110 ( -1.427 -2.890 49.988) 50.091 3.511 ( 4.315 1.559 13.481) 14.240 3.605 ( -4.954 -7.321 12.169) 15.041 4.553 ( 1.573 4.881 8.238) 9.703 4.594 ( -1.899 0.046 11.992) 12.142 4.723 ( 1.966 3.008 11.234) 11.794 4.747 ( -0.041 0.464 13.709) 13.717 4.835 ( -2.393 4.921 10.773) 12.084 4.862 ( -5.692 7.084 3.671) 9.801 5.116 ( 3.789 -5.490 9.628) 11.713 5.194 ( -4.052 -8.955 6.765) 11.933 5.876 ( 8.872 5.884 -6.208) 12.324 5.982 ( -0.403 -3.954 -5.891) 7.106 6.637 ( 0.443 3.249 -6.789) 7.539 6.721 ( -6.958 -4.507 -6.938) 10.810 7.539 ( 1.900 0.673 -18.865) 18.973 7.554 ( 0.416 -0.741 -18.144) 18.164 8.029 ( 3.770 3.995 -3.033) 6.275 8.093 ( -2.673 -1.958 -2.316) 4.043 8.887 ( 2.141 -1.166 5.943) 6.424 8.926 ( -1.562 -4.631 6.526) 8.153 9.343 ( 1.157 1.592 11.950) 12.111 9.351 ( 1.212 1.356 2.019) 2.717 9.390 ( 0.255 1.875 26.506) 26.574 9.429 ( -2.986 -1.322 15.967) 16.298 9.847 ( 0.323 0.241 16.729) 16.734 9.852 ( 0.001 -0.166 17.805) 17.806 12.634 ( 2.889 3.379 36.056) 36.329 12.701 ( -3.751 -2.782 36.779) 37.075 14.231 ( 7.115 5.897 -11.279) 14.582 14.403 ( -10.428 -9.967 -7.688) 16.346 15.953 ( 3.972 1.536 -5.261) 6.769 16.019 ( -2.776 -4.215 -5.112) 7.183 21.214 ( 4.329 10.099 -4.862) 12.016 21.312 ( -4.924 5.595 -5.276) 9.132 21.619 ( 5.139 0.750 -11.624) 12.731 21.787 ( -11.009 -10.497 -12.509) 19.694 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 0.000 18.970) 18.970 1.590 ( 0.000 0.000 18.518) 18.518 1.636 ( 0.000 0.000 2.061) 2.061 1.826 ( 0.000 0.000 19.839) 19.839 3.543 ( 0.000 0.000 30.540) 30.540 3.836 ( 0.000 0.000 43.409) 43.409 4.055 ( 0.000 0.000 28.288) 28.288 4.309 ( 0.000 0.000 -4.303) 4.303 4.430 ( 0.000 0.000 -6.382) 6.382 4.868 ( 0.000 0.000 14.224) 14.224 4.920 ( 0.000 0.000 -1.399) 1.399 4.979 ( 0.000 0.000 14.093) 14.093 5.070 ( 0.000 0.000 0.093) 0.093 5.217 ( 0.000 0.000 13.414) 13.414 5.542 ( 0.000 0.000 22.528) 22.528 5.583 ( 0.000 0.000 14.219) 14.219 5.765 ( 0.000 0.000 14.289) 14.289 5.800 ( 0.000 0.000 4.099) 4.099 6.591 ( 0.000 0.000 -14.662) 14.662 6.607 ( 0.000 0.000 -25.006) 25.006 6.991 ( 0.000 0.000 -2.246) 2.246 7.325 ( 0.000 0.000 -8.799) 8.799 7.340 ( 0.000 0.000 -2.017) 2.017 8.669 ( 0.000 0.000 4.438) 4.438 9.000 ( 0.000 0.000 9.487) 9.487 9.018 ( 0.000 0.000 -12.501) 12.501 9.418 ( 0.000 0.000 26.967) 26.967 9.466 ( 0.000 0.000 17.216) 17.216 9.772 ( 0.000 0.000 14.459) 14.459 9.793 ( 0.000 0.000 10.486) 10.486 9.800 ( 0.000 0.000 -12.105) 12.105 10.177 ( 0.000 0.000 17.546) 17.546 12.756 ( 0.000 0.000 17.557) 17.557 12.987 ( 0.000 0.000 -10.113) 10.113 13.164 ( 0.000 0.000 -8.393) 8.393 15.357 ( 0.000 0.000 -0.255) 0.255 16.202 ( 0.000 0.000 -8.238) 8.238 17.886 ( 0.000 0.000 -18.186) 18.186 20.373 ( 0.000 0.000 -6.085) 6.085 20.952 ( 0.000 0.000 -3.040) 3.040 21.564 ( 0.000 0.000 -7.742) 7.742 22.114 ( 0.000 0.000 -14.292) 14.292 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 13.181 0.000 13.109) 18.590 1.619 ( 2.757 0.000 18.186) 18.394 1.660 ( 2.591 0.000 4.459) 5.158 1.850 ( 2.354 0.000 18.413) 18.563 3.554 ( 0.998 0.000 27.460) 27.478 3.840 ( 0.791 0.000 43.561) 43.569 4.057 ( 0.272 0.000 26.880) 26.881 4.340 ( 1.594 0.000 -2.741) 3.171 4.416 ( -1.475 0.000 -3.746) 4.026 4.775 ( -5.132 0.000 0.220) 5.136 4.874 ( 0.528 0.000 13.959) 13.969 4.980 ( -0.042 0.000 14.762) 14.762 5.156 ( 1.023 0.000 15.522) 15.556 5.277 ( 4.302 0.000 1.589) 4.586 5.482 ( -9.945 0.000 13.387) 16.677 5.587 ( 4.431 0.000 18.366) 18.893 5.734 ( -2.944 0.000 14.247) 14.548 5.794 ( 1.239 0.000 3.061) 3.302 6.562 ( -3.072 0.000 -11.351) 11.760 6.664 ( 5.440 0.000 -24.110) 24.716 7.012 ( 1.673 0.000 -4.705) 4.993 7.296 ( -2.857 0.000 -9.180) 9.614 7.381 ( 4.154 0.000 -1.859) 4.551 8.623 ( -4.614 0.000 3.740) 5.939 8.994 ( -1.843 0.000 -11.432) 11.580 9.015 ( 1.523 0.000 8.917) 9.046 9.449 ( -1.942 0.000 10.821) 10.994 9.470 ( 4.650 0.000 25.140) 25.566 9.748 ( -0.219 0.000 9.636) 9.639 9.761 ( -2.926 0.000 10.761) 11.152 9.864 ( 4.490 0.000 0.540) 4.522 10.197 ( 1.771 0.000 17.517) 17.606 12.778 ( 2.290 0.000 18.409) 18.550 13.069 ( 8.175 0.000 -9.904) 12.843 13.172 ( 0.780 0.000 -6.764) 6.808 15.376 ( 1.833 0.000 -1.189) 2.185 16.171 ( -3.132 0.000 -8.652) 9.201 17.584 ( -29.329 0.000 -11.808) 31.616 20.419 ( 4.557 0.000 -6.296) 7.772 20.925 ( -2.215 0.000 -2.676) 3.474 21.541 ( -2.162 0.000 -7.416) 7.725 22.124 ( 0.172 0.000 -15.658) 15.659 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 10.763 0.000 2.483) 11.045 1.685 ( 3.675 0.000 17.097) 17.487 1.756 ( 7.963 0.000 10.726) 13.358 1.913 ( 3.888 0.000 14.899) 15.398 3.584 ( 2.571 0.000 22.299) 22.447 3.884 ( 3.852 0.000 44.242) 44.410 4.067 ( 0.778 0.000 23.457) 23.470 4.309 ( -4.050 0.000 -1.509) 4.322 4.372 ( -2.962 0.000 3.351) 4.473 4.837 ( 10.100 0.000 3.496) 10.688 4.876 ( -1.614 0.000 12.629) 12.731 4.972 ( -0.735 0.000 16.027) 16.044 5.157 ( 0.325 0.000 17.485) 17.488 5.235 ( -13.301 0.000 13.885) 19.227 5.286 ( -2.474 0.000 7.937) 8.314 5.609 ( -2.346 0.000 8.441) 8.760 5.661 ( -4.320 0.000 12.962) 13.663 5.957 ( 14.037 0.000 2.134) 14.198 6.463 ( -7.364 0.000 -6.519) 9.834 6.797 ( 7.620 0.000 -22.605) 23.854 7.027 ( -1.173 0.000 -5.958) 6.072 7.230 ( -3.111 0.000 -12.020) 12.416 7.498 ( 7.666 0.000 -1.615) 7.834 8.495 ( -8.266 0.000 2.193) 8.551 8.968 ( -0.524 0.000 -11.416) 11.428 9.057 ( 2.588 0.000 6.655) 7.141 9.390 ( -3.771 0.000 1.577) 4.087 9.557 ( 2.626 0.000 21.529) 21.688 9.705 ( -1.571 0.000 13.077) 13.171 9.770 ( 2.042 0.000 16.511) 16.637 9.963 ( 5.547 0.000 7.044) 8.966 10.231 ( 1.452 0.000 17.394) 17.454 12.845 ( 4.497 0.000 19.817) 20.321 13.189 ( 0.747 0.000 -2.319) 2.436 13.301 ( 15.457 0.000 -8.256) 17.524 15.418 ( 1.927 0.000 -2.602) 3.238 16.086 ( -5.334 0.000 -9.782) 11.142 16.839 ( -43.773 0.000 -1.073) 43.786 20.541 ( 7.545 0.000 -6.751) 10.125 20.884 ( -1.739 0.000 -2.713) 3.223 21.493 ( -2.213 0.000 -6.852) 7.201 22.088 ( -4.281 0.000 -16.646) 17.187 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 4.659 0.000 3.747) 5.979 1.750 ( 2.687 0.000 14.980) 15.219 1.933 ( 8.014 0.000 8.622) 11.771 1.990 ( 3.701 0.000 11.041) 11.645 3.685 ( 8.465 0.000 20.399) 22.086 3.983 ( 5.968 0.000 42.030) 42.451 4.088 ( 1.317 0.000 19.700) 19.744 4.234 ( -3.063 0.000 -0.860) 3.181 4.299 ( -4.662 0.000 13.442) 14.227 4.695 ( -16.553 0.000 9.605) 19.138 4.984 ( 2.226 0.000 15.714) 15.871 5.017 ( 4.155 0.000 12.377) 13.056 5.074 ( -3.039 0.000 17.740) 17.998 5.211 ( -3.520 0.000 12.028) 12.533 5.261 ( 12.054 0.000 9.236) 15.185 5.553 ( -2.578 0.000 5.605) 6.170 5.576 ( -3.966 0.000 10.619) 11.335 6.249 ( 14.931 0.000 0.363) 14.935 6.266 ( -12.807 0.000 -3.614) 13.307 6.940 ( -7.456 0.000 -2.787) 7.959 6.947 ( 7.396 0.000 -21.361) 22.605 7.193 ( -1.108 0.000 -17.215) 17.251 7.672 ( 9.967 0.000 -1.497) 10.079 8.310 ( -10.395 0.000 0.637) 10.414 8.979 ( 1.645 0.000 -12.501) 12.609 9.104 ( 1.516 0.000 -0.770) 1.701 9.324 ( -2.178 0.000 3.100) 3.789 9.526 ( -4.508 0.000 14.447) 15.134 9.737 ( 3.504 0.000 19.871) 20.178 9.809 ( 1.537 0.000 19.212) 19.273 10.075 ( 5.684 0.000 12.113) 13.381 10.247 ( 0.090 0.000 16.904) 16.904 12.948 ( 5.827 0.000 19.539) 20.390 13.192 ( -0.774 0.000 3.872) 3.949 13.673 ( 22.728 0.000 -3.571) 23.007 15.386 ( -10.075 0.000 2.816) 10.461 15.971 ( -6.129 0.000 -11.295) 12.851 16.028 ( -32.500 0.000 -2.485) 32.595 20.692 ( 7.179 0.000 -6.775) 9.871 20.859 ( -0.917 0.000 -3.304) 3.429 21.479 ( 1.421 0.000 -7.203) 7.342 21.955 ( -9.091 0.000 -15.364) 17.852 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 1.930 0.000 8.216) 8.440 1.783 ( 0.633 0.000 11.946) 11.963 2.036 ( 2.577 0.000 6.908) 7.373 2.044 ( 1.466 0.000 8.118) 8.249 3.916 ( 14.454 0.000 20.527) 25.105 4.097 ( 4.557 0.000 37.926) 38.199 4.113 ( 0.839 0.000 15.985) 16.007 4.177 ( -8.853 0.000 28.405) 29.752 4.202 ( 0.862 0.000 -2.099) 2.269 4.355 ( -15.217 0.000 5.142) 16.063 5.041 ( 0.160 0.000 17.355) 17.356 5.044 ( 2.813 0.000 16.011) 16.256 5.048 ( 0.360 0.000 17.549) 17.553 5.126 ( -4.436 0.000 13.881) 14.573 5.502 ( 0.888 0.000 10.759) 10.796 5.517 ( -1.843 0.000 8.743) 8.935 5.611 ( 17.354 0.000 -1.989) 17.468 5.968 ( -17.391 0.000 -1.715) 17.475 6.525 ( 13.091 0.000 -0.436) 13.098 6.758 ( -10.756 0.000 -1.179) 10.820 7.076 ( 5.589 0.000 -20.454) 21.204 7.159 ( -2.858 0.000 -19.461) 19.669 7.879 ( 11.018 0.000 -1.250) 11.089 8.097 ( -11.166 0.000 -0.552) 11.180 9.028 ( 3.183 0.000 -13.223) 13.601 9.090 ( -2.674 0.000 -11.456) 11.764 9.336 ( 3.314 0.000 11.790) 12.247 9.426 ( -5.284 0.000 13.356) 14.364 9.797 ( 2.270 0.000 20.669) 20.793 9.822 ( -0.261 0.000 20.097) 20.099 10.173 ( 4.121 0.000 14.846) 15.407 10.231 ( -1.824 0.000 16.095) 16.198 13.062 ( 5.518 0.000 16.281) 17.190 13.152 ( -3.393 0.000 10.543) 11.076 14.195 ( 30.755 0.000 3.810) 30.990 14.861 ( -36.012 0.000 10.446) 37.496 15.783 ( 0.708 0.000 -12.868) 12.888 15.856 ( -5.369 0.000 -12.640) 13.733 20.800 ( 3.602 0.000 -5.627) 6.681 20.842 ( -1.144 0.000 -4.225) 4.377 21.567 ( 7.580 0.000 -9.501) 12.154 21.754 ( -10.737 0.000 -12.681) 16.616 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.000 4.939 17.239) 17.932 1.556 ( 0.000 -3.263 18.322) 18.610 1.614 ( 0.000 -1.689 5.742) 5.985 1.768 ( 0.000 -5.004 19.149) 19.792 3.641 ( 0.000 8.895 28.050) 29.427 3.917 ( 0.000 7.459 41.769) 42.430 4.042 ( 0.000 -1.285 26.636) 26.667 4.346 ( 0.000 2.884 -1.724) 3.360 4.472 ( 0.000 4.400 -5.896) 7.357 4.837 ( 0.000 -3.441 6.143) 7.041 4.871 ( 0.000 -11.398 8.922) 14.475 4.917 ( 0.000 0.292 5.924) 5.931 5.011 ( 0.000 -2.360 7.315) 7.686 5.131 ( 0.000 -8.185 14.881) 16.983 5.559 ( 0.000 1.469 22.649) 22.697 5.660 ( 0.000 5.317 8.692) 10.189 5.704 ( 0.000 -4.387 15.256) 15.875 5.799 ( 0.000 -0.150 3.930) 3.932 6.589 ( 0.000 -0.192 -14.544) 14.545 6.616 ( 0.000 0.008 -20.441) 20.441 7.019 ( 0.000 3.512 -5.690) 6.686 7.302 ( 0.000 -2.239 -9.174) 9.443 7.488 ( 0.000 13.060 -1.675) 13.167 8.499 ( 0.000 -13.503 0.193) 13.505 9.025 ( 0.000 2.343 9.588) 9.871 9.099 ( 0.000 4.435 -2.930) 5.315 9.399 ( 0.000 -1.308 25.448) 25.482 9.483 ( 0.000 1.887 10.877) 11.039 9.630 ( 0.000 -7.045 13.651) 15.362 9.781 ( 0.000 -2.064 -11.061) 11.252 9.924 ( 0.000 6.305 12.725) 14.201 10.164 ( 0.000 -1.319 17.038) 17.089 12.682 ( 0.000 -3.044 8.378) 8.914 12.922 ( 0.000 -5.778 -7.969) 9.844 13.519 ( 0.000 30.198 2.521) 30.303 15.416 ( 0.000 4.370 -1.819) 4.734 16.150 ( 0.000 -4.911 -7.325) 8.819 17.081 ( 0.000 -61.287 -0.295) 61.288 20.869 ( 0.000 26.064 -12.497) 28.905 21.055 ( 0.000 17.265 -9.567) 19.739 21.480 ( 0.000 -7.409 -6.524) 9.872 22.108 ( 0.000 -1.592 -16.904) 16.978 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 11.228 3.068 11.353) 16.259 1.585 ( 2.601 -3.144 16.458) 16.956 1.645 ( 3.583 -0.989 9.827) 10.506 1.805 ( 3.644 -3.917 17.521) 18.319 3.637 ( -0.418 7.675 25.026) 26.180 3.902 ( -0.889 5.387 41.571) 41.928 4.046 ( 0.374 -1.184 26.344) 26.373 4.348 ( -1.902 0.017 0.152) 1.908 4.461 ( -1.579 3.859 -2.694) 4.965 4.719 ( -0.508 -2.876 2.282) 3.707 4.889 ( 0.551 0.828 13.482) 13.518 4.968 ( 0.858 -1.477 13.730) 13.836 5.082 ( 1.933 -6.492 9.467) 11.640 5.194 ( 6.908 -7.571 5.723) 11.738 5.487 ( -7.192 1.009 17.602) 19.042 5.627 ( -3.545 -0.536 11.371) 11.923 5.681 ( -1.402 0.200 13.087) 13.163 5.807 ( 1.803 0.081 5.992) 6.258 6.573 ( -1.479 1.082 -11.670) 11.813 6.676 ( 5.283 0.125 -20.518) 21.188 7.027 ( 0.651 2.381 -6.946) 7.371 7.272 ( -2.817 -2.145 -9.686) 10.313 7.518 ( 2.979 12.068 -1.708) 12.547 8.470 ( -2.935 -12.557 0.188) 12.896 8.997 ( -2.392 1.754 5.683) 6.410 9.117 ( 1.392 5.224 -2.229) 5.848 9.418 ( 0.160 -2.529 20.644) 20.799 9.479 ( 0.701 1.548 10.486) 10.622 9.648 ( 2.212 -5.014 15.707) 16.635 9.765 ( -1.305 -2.266 -2.346) 3.513 9.945 ( 2.206 5.720 10.172) 11.877 10.183 ( 1.652 -1.424 16.994) 17.133 12.715 ( 3.318 -2.431 9.380) 10.242 12.990 ( 6.844 -6.341 -6.435) 11.333 13.517 ( -0.207 29.000 2.272) 29.090 15.441 ( 2.517 4.915 -2.809) 6.195 16.106 ( -4.619 -6.480 -7.363) 10.842 16.883 ( -19.379 -54.403 1.766) 57.779 20.873 ( 0.348 27.376 -12.970) 30.295 21.001 ( -4.270 12.541 -6.199) 14.627 21.466 ( -1.518 -6.567 -6.515) 9.374 22.102 ( -1.129 -2.875 -17.632) 17.901 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 8.041 -1.513 2.404) 8.528 1.642 ( 3.055 -3.516 13.020) 13.828 1.777 ( 9.809 1.745 15.359) 18.307 1.903 ( 6.047 -0.985 14.626) 15.857 3.634 ( 0.660 4.827 20.329) 20.905 3.905 ( 1.345 1.974 40.433) 40.503 4.056 ( 0.603 -2.083 26.365) 26.454 4.256 ( -5.546 -4.693 4.521) 8.556 4.420 ( -2.214 4.989 1.624) 5.695 4.829 ( 5.758 1.332 5.350) 7.972 4.909 ( 2.608 1.396 11.870) 12.233 4.990 ( 2.756 1.554 13.046) 13.424 5.093 ( 0.552 -5.682 13.524) 14.679 5.243 ( -5.396 -0.536 11.932) 13.106 5.315 ( -6.726 2.717 9.860) 12.241 5.571 ( -2.064 -6.608 12.584) 14.362 5.633 ( -3.310 1.883 9.060) 9.828 5.910 ( 8.427 -4.383 4.778) 10.632 6.516 ( -4.497 4.662 -7.211) 9.693 6.797 ( 6.251 -1.040 -18.832) 19.870 7.031 ( -0.831 1.258 -8.153) 8.291 7.212 ( -2.551 -1.645 -12.618) 12.978 7.603 ( 5.691 9.529 -1.703) 11.229 8.387 ( -5.434 -9.601 0.169) 11.033 8.947 ( -2.358 0.327 -1.019) 2.590 9.140 ( 0.590 3.435 -3.425) 4.886 9.371 ( -3.455 -0.841 7.036) 7.883 9.525 ( 2.187 -1.148 15.595) 15.789 9.693 ( 1.462 -0.770 14.724) 14.817 9.773 ( 3.334 -1.128 14.525) 14.945 10.005 ( 3.827 3.780 10.056) 11.404 10.215 ( 1.368 -1.613 16.920) 17.052 12.809 ( 6.125 -0.790 11.827) 13.342 13.174 ( 11.034 -6.784 1.190) 13.008 13.516 ( 0.840 24.201 -1.366) 24.254 15.505 ( 3.484 7.216 -4.348) 9.117 15.940 ( -14.492 -18.353 -4.975) 23.908 16.408 ( -24.996 -30.601 2.275) 39.578 20.882 ( 0.555 27.351 -12.457) 30.060 20.937 ( -1.633 4.997 -2.906) 6.007 21.428 ( -1.928 -5.932 -6.098) 8.723 22.042 ( -5.343 -5.017 -17.589) 19.055 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 3.829 -3.733 2.854) 6.061 1.696 ( 2.258 -4.192 11.103) 12.081 1.967 ( 8.061 2.707 11.006) 13.908 2.023 ( 5.640 2.160 12.610) 13.981 3.690 ( 5.557 0.853 17.697) 18.568 3.944 ( 2.276 -1.827 34.008) 34.133 4.055 ( -1.274 -5.726 23.106) 23.839 4.186 ( -1.345 -3.447 17.891) 18.269 4.377 ( -1.947 8.418 5.483) 10.233 4.757 ( -10.466 4.032 4.069) 11.931 4.973 ( 2.795 -0.210 15.524) 15.775 5.051 ( 0.213 0.510 13.624) 13.635 5.098 ( -4.605 2.811 17.677) 18.481 5.204 ( 0.862 -0.935 12.066) 12.133 5.257 ( 8.955 1.048 8.460) 12.363 5.533 ( -1.841 -3.726 11.576) 12.300 5.573 ( -2.030 2.073 5.420) 6.148 6.058 ( 3.029 -10.503 -0.436) 10.940 6.430 ( -1.646 7.980 -2.791) 8.613 6.855 ( -2.825 -5.079 -7.709) 9.654 7.021 ( 2.419 4.019 -15.576) 16.267 7.188 ( -0.483 -0.651 -17.077) 17.096 7.739 ( 8.039 6.210 -1.614) 10.285 8.258 ( -7.695 -5.072 -0.073) 9.216 8.918 ( -0.294 -2.892 -6.626) 7.236 9.115 ( -3.541 -2.886 -8.373) 9.538 9.334 ( 0.466 2.833 8.488) 8.960 9.521 ( -2.451 -0.325 11.810) 12.066 9.746 ( 4.120 1.568 18.759) 19.270 9.849 ( 3.100 2.012 20.295) 20.628 10.090 ( 4.616 1.534 12.667) 13.569 10.232 ( 0.286 -1.499 16.559) 16.629 12.947 ( 7.830 1.584 14.446) 16.508 13.314 ( 0.463 5.497 16.754) 17.638 13.650 ( 15.686 3.557 -10.245) 19.070 15.357 ( -30.367 -14.105 8.001) 34.426 15.667 ( 1.207 -9.502 -9.844) 13.735 16.071 ( -10.687 -2.573 -6.941) 13.001 20.893 ( 0.703 13.065 -6.265) 14.507 20.935 ( 0.661 11.297 -6.833) 13.220 21.418 ( 1.689 -5.712 -6.693) 8.959 21.895 ( -9.346 -6.037 -15.667) 19.216 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 1.669 -4.455 5.120) 6.990 1.724 ( 0.437 -4.567 8.055) 9.270 2.077 ( 3.351 3.376 9.842) 10.931 2.097 ( 1.460 3.523 10.703) 11.362 3.838 ( 8.283 -5.860 13.154) 16.613 3.956 ( -2.911 -8.913 13.163) 16.161 4.047 ( 2.847 -1.976 36.480) 36.644 4.143 ( -4.707 -2.213 37.463) 37.823 4.384 ( 3.905 12.043 2.445) 12.895 4.529 ( -10.565 10.399 1.040) 14.861 5.031 ( 2.445 -0.733 16.499) 16.695 5.050 ( -0.473 0.143 15.787) 15.794 5.055 ( 0.691 0.840 17.338) 17.372 5.124 ( -4.537 -0.142 14.403) 15.101 5.463 ( 3.611 -2.995 14.070) 14.832 5.498 ( -1.650 -1.657 11.380) 11.618 5.652 ( 13.207 3.366 -4.059) 14.221 5.938 ( -13.006 -2.914 -3.431) 13.763 6.527 ( 9.381 0.552 -0.308) 9.402 6.719 ( -9.313 -3.472 -1.544) 10.058 7.103 ( 4.341 2.282 -19.359) 19.970 7.167 ( -2.037 0.616 -18.914) 19.034 7.910 ( 9.267 2.895 -1.312) 9.797 8.092 ( -9.132 -0.661 -0.697) 9.182 8.943 ( 2.859 -5.747 -9.509) 11.472 9.023 ( -4.990 -6.143 -10.291) 12.982 9.379 ( 3.485 3.426 10.371) 11.464 9.454 ( -3.929 1.801 10.966) 11.787 9.828 ( 3.658 3.077 20.173) 20.732 9.873 ( -0.709 3.465 20.571) 20.873 10.173 ( 3.598 0.113 14.906) 15.335 10.222 ( -1.393 -0.816 15.951) 16.032 13.105 ( 7.948 4.602 16.025) 18.470 13.245 ( -6.036 7.902 16.723) 19.456 14.081 ( 27.058 -9.165 -1.719) 28.620 14.685 ( -34.122 -16.473 6.150) 38.386 15.765 ( 6.428 0.933 -10.729) 12.542 15.901 ( -7.532 1.517 -10.048) 12.649 20.913 ( 1.300 8.504 -5.007) 9.954 20.936 ( -0.749 10.318 -6.304) 12.114 21.510 ( 7.666 -5.327 -9.456) 13.288 21.695 ( -10.518 -5.760 -12.754) 17.506 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 6.627 14.174) 15.647 1.464 ( 0.000 -5.424 15.519) 16.440 1.596 ( 0.000 0.667 14.112) 14.128 1.657 ( 0.000 -4.980 18.613) 19.267 3.852 ( 0.000 9.858 24.276) 26.201 3.993 ( 0.000 -4.023 24.853) 25.176 4.115 ( 0.000 11.522 33.217) 35.159 4.341 ( 0.000 -6.869 13.160) 14.845 4.621 ( 0.000 9.406 -2.228) 9.667 4.668 ( 0.000 -3.476 2.880) 4.514 4.743 ( 0.000 -4.130 1.219) 4.307 4.899 ( 0.000 -13.193 8.834) 15.877 4.937 ( 0.000 1.448 10.294) 10.396 4.971 ( 0.000 -1.874 9.897) 10.073 5.594 ( 0.000 1.773 22.156) 22.227 5.633 ( 0.000 -2.375 19.345) 19.490 5.750 ( 0.000 3.128 4.918) 5.829 5.789 ( 0.000 -0.966 3.798) 3.919 6.588 ( 0.000 0.225 -14.485) 14.487 6.601 ( 0.000 -1.008 -15.638) 15.670 7.124 ( 0.000 5.848 -9.303) 10.989 7.233 ( 0.000 -4.493 -9.797) 10.778 7.815 ( 0.000 17.724 -1.732) 17.808 8.179 ( 0.000 -17.216 -1.568) 17.287 9.086 ( 0.000 3.178 9.444) 9.965 9.134 ( 0.000 -0.883 7.229) 7.282 9.393 ( 0.000 1.377 22.988) 23.029 9.463 ( 0.000 -4.888 19.100) 19.715 9.598 ( 0.000 4.948 -3.390) 5.998 9.709 ( 0.000 -4.889 -9.052) 10.288 10.038 ( 0.000 4.852 14.327) 15.126 10.120 ( 0.000 -3.055 15.850) 16.141 12.683 ( 0.000 2.954 2.094) 3.621 12.786 ( 0.000 -6.584 -3.196) 7.318 14.322 ( 0.000 47.277 10.008) 48.324 15.284 ( 0.000 -32.645 2.632) 32.751 16.020 ( 0.000 -6.861 -4.230) 8.060 16.033 ( 0.000 -21.727 6.229) 22.602 21.106 ( 0.000 8.765 -3.845) 9.571 21.297 ( 0.000 -9.689 -4.747) 10.790 21.638 ( 0.000 25.341 -24.721) 35.402 21.998 ( 0.000 -10.424 -21.979) 24.326 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 6.523 4.064 9.547) 12.256 1.504 ( 3.274 -4.334 13.273) 14.342 1.646 ( 5.696 1.647 16.678) 17.700 1.714 ( 5.839 -4.448 17.417) 18.901 3.830 ( -2.304 9.702 21.069) 23.309 3.972 ( -2.172 -3.142 25.759) 26.040 4.062 ( -3.489 6.757 31.154) 32.069 4.247 ( -7.819 -9.438 15.993) 20.149 4.605 ( -0.175 10.493 -1.002) 10.542 4.750 ( 7.624 4.773 2.219) 9.265 4.852 ( 4.479 -8.996 8.085) 12.898 4.887 ( 1.143 -3.627 10.552) 11.216 4.983 ( 1.998 -1.396 9.256) 9.571 5.022 ( 7.650 -6.356 6.001) 11.616 5.521 ( -6.370 2.091 17.673) 18.902 5.569 ( -5.946 -2.716 15.343) 16.677 5.744 ( -1.252 3.148 9.170) 9.776 5.792 ( 0.210 -1.558 7.321) 7.488 6.606 ( 1.739 2.065 -12.788) 13.070 6.652 ( 4.328 -2.136 -15.299) 16.042 7.111 ( -1.207 5.049 -10.009) 11.275 7.208 ( -2.330 -4.106 -10.405) 11.426 7.823 ( 0.867 16.689 -1.808) 16.809 8.167 ( -1.076 -16.335 -1.575) 16.446 9.056 ( -2.469 3.881 7.915) 9.154 9.138 ( -0.434 -3.055 4.923) 5.810 9.420 ( 2.155 3.133 18.789) 19.170 9.496 ( 1.833 -2.501 13.089) 13.451 9.597 ( 1.715 2.412 5.656) 6.384 9.690 ( -1.224 -4.814 -3.280) 5.952 10.055 ( 1.524 4.796 13.668) 14.565 10.137 ( 1.470 -3.140 15.651) 16.030 12.728 ( 4.499 3.525 3.143) 6.523 12.843 ( 5.692 -7.175 -1.858) 9.345 14.291 ( -3.366 45.745 9.458) 46.833 15.265 ( -2.808 -38.566 3.345) 38.813 15.899 ( -8.493 -4.197 1.405) 9.577 16.049 ( -0.995 -15.468 -1.501) 15.573 21.096 ( -0.891 8.416 -3.764) 9.262 21.278 ( -1.691 -8.417 -5.134) 10.003 21.586 ( -4.958 24.876 -22.051) 33.610 21.963 ( -3.663 -11.839 -21.259) 24.608 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 4.457 0.155 4.936) 6.653 1.567 ( 2.956 -3.241 9.135) 10.133 1.822 ( 11.091 2.520 16.516) 20.053 1.872 ( 9.486 -2.076 15.161) 18.004 3.772 ( -2.936 8.148 16.195) 18.365 3.920 ( -2.899 -3.967 22.956) 23.476 4.014 ( -1.599 1.611 30.931) 31.015 4.119 ( -4.148 -7.236 24.074) 25.477 4.601 ( -0.272 11.516 0.886) 11.553 4.817 ( -0.994 -6.551 3.862) 7.669 4.932 ( 2.925 1.035 13.728) 14.074 4.962 ( 4.923 -3.393 14.208) 15.415 5.063 ( 8.178 5.321 5.806) 11.353 5.186 ( 5.828 -5.175 5.399) 9.482 5.376 ( -7.513 3.002 12.971) 15.288 5.447 ( -4.837 -4.551 13.765) 15.284 5.698 ( -2.937 4.290 9.826) 11.117 5.801 ( 0.988 -5.609 8.217) 9.997 6.627 ( -0.340 5.670 -8.734) 10.419 6.735 ( 3.080 -4.589 -12.045) 13.252 7.089 ( -0.655 3.802 -12.312) 12.903 7.163 ( -1.514 -3.149 -13.184) 13.639 7.851 ( 2.100 13.890 -1.896) 14.175 8.141 ( -1.550 -13.746 -1.539) 13.918 8.994 ( -3.977 4.036 2.174) 6.069 9.099 ( -3.665 -5.518 -0.055) 6.624 9.432 ( -0.861 5.383 6.572) 8.539 9.512 ( 0.076 -1.613 7.369) 7.544 9.683 ( 5.201 0.442 15.695) 16.540 9.724 ( 6.092 -2.972 15.432) 16.855 10.091 ( 2.048 4.139 13.384) 14.158 10.166 ( 1.380 -3.111 15.554) 15.922 12.854 ( 8.219 5.103 6.394) 11.596 13.002 ( 10.262 -8.740 2.915) 13.791 14.187 ( -7.245 40.316 6.745) 41.513 15.111 ( -14.423 -47.172 6.081) 49.701 15.762 ( -3.665 10.860 -2.479) 11.727 16.008 ( -2.751 -12.868 -4.444) 13.889 21.076 ( -0.959 8.271 -3.732) 9.124 21.251 ( -0.585 -7.290 -5.742) 9.298 21.466 ( -6.843 23.150 -17.053) 29.557 21.856 ( -7.112 -13.832 -18.893) 24.472 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 2.723 -1.321 3.304) 4.481 1.617 ( 2.047 -2.892 6.050) 7.011 2.022 ( 8.476 2.324 13.186) 15.846 2.048 ( 7.746 -0.011 13.599) 15.651 3.739 ( -0.273 4.163 14.096) 14.701 3.858 ( -3.306 -6.837 14.389) 16.270 4.005 ( 1.001 2.266 35.707) 35.793 4.088 ( 0.242 -5.156 33.396) 33.793 4.595 ( -0.197 11.178 1.576) 11.290 4.770 ( -3.800 -4.272 0.730) 5.764 4.979 ( 2.201 0.824 15.729) 15.904 5.015 ( 1.521 -2.864 15.112) 15.456 5.156 ( -4.790 2.940 12.984) 14.148 5.197 ( -2.406 -0.630 11.715) 11.976 5.325 ( 5.835 5.014 11.949) 14.211 5.436 ( 1.797 -5.441 13.234) 14.422 5.659 ( 0.164 6.632 3.685) 7.589 5.839 ( 2.545 -10.381 1.140) 10.749 6.588 ( -2.919 7.478 -3.871) 8.912 6.734 ( -3.350 -6.667 -5.367) 9.191 7.102 ( 2.104 3.617 -16.382) 16.908 7.161 ( 0.871 -2.066 -16.713) 16.862 7.907 ( 3.609 9.685 -1.767) 10.485 8.108 ( -1.911 -9.210 -1.308) 9.496 8.910 ( -4.066 2.269 -4.356) 6.376 9.002 ( -5.804 -6.155 -5.389) 10.030 9.424 ( 0.425 4.669 7.343) 8.713 9.498 ( -1.109 -2.302 8.127) 8.519 9.800 ( 6.140 3.251 19.575) 20.771 9.854 ( 5.677 -1.518 20.532) 21.357 10.135 ( 2.499 2.653 14.105) 14.568 10.189 ( 1.028 -2.506 15.570) 15.804 13.040 ( 10.509 7.315 12.094) 17.613 13.225 ( 11.629 -9.675 13.843) 20.505 14.026 ( -8.016 29.238 -1.488) 30.354 14.724 ( -23.255 -36.849 4.704) 43.827 15.759 ( 2.378 9.628 -6.081) 11.633 15.951 ( -2.979 -8.286 -6.437) 10.907 21.071 ( 0.714 9.079 -4.171) 10.017 21.261 ( 0.689 -8.607 -4.968) 9.961 21.340 ( -4.683 20.090 -14.319) 25.111 21.696 ( -8.930 -13.693 -15.706) 22.670 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 1.155 -2.060 2.706) 3.592 1.643 ( 0.559 -2.564 3.672) 4.513 2.140 ( 3.382 2.131 12.268) 12.903 2.150 ( 2.383 1.222 12.509) 12.793 3.755 ( 1.708 -1.268 12.881) 13.056 3.799 ( -2.659 -5.391 12.464) 13.837 4.049 ( 2.982 1.365 38.929) 39.067 4.091 ( -0.790 -2.562 38.280) 38.374 4.606 ( 1.778 8.415 -0.666) 8.627 4.676 ( -5.047 2.420 -2.053) 5.962 5.018 ( 1.669 -0.198 14.952) 15.046 5.034 ( 0.257 -1.419 14.328) 14.400 5.087 ( -1.106 1.995 16.789) 16.943 5.118 ( -3.569 -0.726 15.034) 15.469 5.420 ( 2.418 -0.522 18.896) 19.058 5.448 ( -0.648 -2.706 17.602) 17.821 5.741 ( 7.215 5.208 -6.558) 11.054 5.852 ( -2.530 -5.200 -6.104) 8.408 6.560 ( 1.153 2.769 -0.471) 3.036 6.635 ( -5.603 -4.267 -1.234) 7.150 7.150 ( 2.169 1.916 -18.151) 18.381 7.173 ( -0.103 -0.287 -18.085) 18.087 7.986 ( 4.212 4.156 -1.372) 6.074 8.060 ( -3.116 -2.657 -1.099) 4.240 8.860 ( -0.486 -1.422 -7.911) 8.053 8.898 ( -4.138 -4.813 -8.130) 10.314 9.445 ( 1.450 2.585 9.307) 9.768 9.474 ( -1.415 -0.147 9.596) 9.701 9.895 ( 3.253 2.754 20.315) 20.758 9.920 ( 0.921 0.598 20.711) 20.741 10.183 ( 2.030 0.816 15.230) 15.387 10.203 ( 0.046 -1.025 15.665) 15.698 13.248 ( 10.135 8.688 20.793) 24.709 13.372 ( 0.300 0.306 28.371) 28.374 13.975 ( 6.344 4.061 -13.169) 15.171 14.273 ( -21.300 -20.907 -3.562) 30.059 15.823 ( 3.605 3.805 -7.421) 9.085 15.891 ( -3.284 -2.330 -7.451) 8.469 21.109 ( 3.235 10.252 -5.176) 11.932 21.193 ( -5.116 10.240 -6.372) 13.101 21.376 ( 5.925 -5.007 -11.347) 13.745 21.521 ( -8.547 -10.924 -12.859) 18.914 ======================= Grid point 180 (61/120) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.000 0.000 11.039) 11.039 1.906 ( 0.000 0.000 15.149) 15.149 1.925 ( 0.000 0.000 22.096) 22.096 2.363 ( 0.000 0.000 28.902) 28.902 4.098 ( 0.000 0.000 23.223) 23.223 4.192 ( 0.000 0.000 -7.309) 7.309 4.287 ( 0.000 0.000 -7.471) 7.471 4.417 ( 0.000 0.000 8.409) 8.409 4.616 ( 0.000 0.000 32.198) 32.198 4.905 ( 0.000 0.000 0.295) 0.295 4.959 ( 0.000 0.000 -6.722) 6.722 5.148 ( 0.000 0.000 12.704) 12.704 5.235 ( 0.000 0.000 11.258) 11.258 5.564 ( 0.000 0.000 16.117) 16.117 5.905 ( 0.000 0.000 9.347) 9.347 5.928 ( 0.000 0.000 19.382) 19.382 6.005 ( 0.000 0.000 18.872) 18.872 6.137 ( 0.000 0.000 -20.701) 20.701 6.179 ( 0.000 0.000 22.879) 22.879 6.248 ( 0.000 0.000 -18.507) 18.507 6.978 ( 0.000 0.000 1.316) 1.316 7.168 ( 0.000 0.000 -6.472) 6.472 7.320 ( 0.000 0.000 0.013) 0.013 8.702 ( 0.000 0.000 -0.179) 0.179 8.729 ( 0.000 0.000 -15.517) 15.517 9.046 ( 0.000 0.000 -7.547) 7.547 9.695 ( 0.000 0.000 4.334) 4.334 9.821 ( 0.000 0.000 16.185) 16.185 9.898 ( 0.000 0.000 19.638) 19.638 10.037 ( 0.000 0.000 12.955) 12.955 10.055 ( 0.000 0.000 12.738) 12.738 10.479 ( 0.000 0.000 11.993) 11.993 12.770 ( 0.000 0.000 -10.760) 10.760 13.002 ( 0.000 0.000 -7.178) 7.178 13.034 ( 0.000 0.000 9.624) 9.624 15.385 ( 0.000 0.000 3.367) 3.367 16.029 ( 0.000 0.000 -8.379) 8.379 17.484 ( 0.000 0.000 -20.822) 20.822 20.248 ( 0.000 0.000 -5.969) 5.969 20.880 ( 0.000 0.000 -3.830) 3.830 21.389 ( 0.000 0.000 -8.989) 8.989 21.835 ( 0.000 0.000 -12.673) 12.673 ======================= Grid point 181 (62/120) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 6.851 0.000 9.507) 11.718 1.923 ( 1.630 0.000 14.272) 14.365 1.966 ( 3.994 0.000 21.092) 21.467 2.365 ( 0.134 0.000 28.171) 28.172 4.012 ( -4.529 0.000 13.908) 14.627 4.233 ( -3.876 0.000 -4.785) 6.158 4.287 ( 4.478 0.000 0.979) 4.584 4.473 ( 4.091 0.000 5.941) 7.214 4.611 ( -1.058 0.000 27.871) 27.891 4.787 ( -0.849 0.000 3.334) 3.441 5.144 ( -0.272 0.000 12.215) 12.218 5.156 ( 10.308 0.000 -3.762) 10.973 5.254 ( 1.647 0.000 12.231) 12.341 5.556 ( -0.836 0.000 16.026) 16.048 5.817 ( -10.278 0.000 18.388) 21.066 5.876 ( -3.212 0.000 4.467) 5.502 5.999 ( 2.688 0.000 17.194) 17.402 6.090 ( -5.843 0.000 10.397) 11.926 6.246 ( 8.333 0.000 -13.764) 16.090 6.324 ( 3.784 0.000 -3.667) 5.269 6.958 ( -1.916 0.000 -0.218) 1.929 7.146 ( -2.277 0.000 -5.447) 5.904 7.363 ( 4.290 0.000 0.041) 4.291 8.652 ( -5.033 0.000 -0.080) 5.034 8.712 ( -1.497 0.000 -15.508) 15.580 9.029 ( -1.775 0.000 -9.382) 9.548 9.597 ( -5.510 0.000 9.376) 10.875 9.924 ( 2.055 0.000 18.422) 18.536 9.952 ( 8.890 0.000 12.574) 15.399 10.007 ( -2.482 0.000 12.899) 13.136 10.074 ( 1.928 0.000 12.269) 12.420 10.503 ( 2.022 0.000 12.299) 12.464 12.852 ( 7.935 0.000 -10.462) 13.131 13.032 ( 3.025 0.000 -6.481) 7.152 13.077 ( 4.700 0.000 10.337) 11.356 15.383 ( -0.216 0.000 2.215) 2.226 15.989 ( -3.959 0.000 -8.772) 9.624 17.273 ( -20.993 0.000 -17.745) 27.488 20.290 ( 4.165 0.000 -6.154) 7.431 20.864 ( -1.439 0.000 -3.218) 3.525 21.376 ( -1.301 0.000 -8.442) 8.541 21.825 ( -1.262 0.000 -13.307) 13.366 ======================= Grid point 182 (63/120) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 8.910 0.000 7.505) 11.650 1.961 ( 1.996 0.000 12.084) 12.247 2.068 ( 6.007 0.000 18.222) 19.186 2.367 ( -0.005 0.000 26.084) 26.084 3.967 ( 0.382 0.000 13.150) 13.155 4.165 ( -2.766 0.000 -3.819) 4.716 4.287 ( -3.669 0.000 0.395) 3.690 4.545 ( 2.805 0.000 5.115) 5.833 4.632 ( 3.708 0.000 25.208) 25.479 4.884 ( 8.970 0.000 4.069) 9.850 5.133 ( -1.525 0.000 12.492) 12.584 5.285 ( 0.979 0.000 14.137) 14.170 5.318 ( 6.400 0.000 2.287) 6.796 5.533 ( -1.376 0.000 15.774) 15.834 5.583 ( -11.837 0.000 19.025) 22.406 5.812 ( -2.869 0.000 6.551) 7.151 5.961 ( -7.450 0.000 8.135) 11.031 6.123 ( 9.495 0.000 13.009) 16.105 6.353 ( -1.330 0.000 1.715) 2.170 6.420 ( 8.993 0.000 -12.188) 15.147 6.911 ( -2.667 0.000 -4.356) 5.107 7.079 ( -4.675 0.000 -3.038) 5.575 7.482 ( 7.731 0.000 0.055) 7.731 8.513 ( -8.913 0.000 0.075) 8.914 8.683 ( -1.087 0.000 -15.807) 15.844 8.974 ( -3.821 0.000 -13.097) 13.643 9.527 ( -1.470 0.000 12.299) 12.386 9.903 ( -4.316 0.000 13.922) 14.576 10.016 ( 3.463 0.000 14.801) 15.201 10.091 ( 3.630 0.000 13.179) 13.670 10.155 ( 7.421 0.000 10.210) 12.622 10.539 ( 1.274 0.000 12.597) 12.661 13.029 ( 8.273 0.000 -5.205) 9.774 13.112 ( 4.873 0.000 -4.340) 6.525 13.259 ( 15.569 0.000 7.903) 17.459 15.379 ( -0.157 0.000 -0.673) 0.691 15.882 ( -6.764 0.000 -9.865) 11.961 16.706 ( -35.566 0.000 -10.827) 37.178 20.403 ( 7.174 0.000 -6.532) 9.702 20.833 ( -1.570 0.000 -2.310) 2.793 21.346 ( -1.410 0.000 -7.259) 7.395 21.773 ( -4.242 0.000 -13.944) 14.576 ======================= Grid point 183 (64/120) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 7.259 0.000 6.945) 10.046 1.992 ( 0.901 0.000 9.593) 9.635 2.183 ( 5.407 0.000 15.790) 16.691 2.361 ( -0.747 0.000 22.957) 22.969 4.038 ( 6.960 0.000 12.184) 14.031 4.129 ( -0.985 0.000 -3.274) 3.419 4.208 ( -3.574 0.000 0.802) 3.663 4.567 ( -1.182 0.000 3.329) 3.533 4.713 ( 3.865 0.000 25.359) 25.652 5.032 ( -9.364 0.000 20.346) 22.398 5.081 ( 10.040 0.000 -1.277) 10.121 5.286 ( 0.071 0.000 14.224) 14.224 5.412 ( 2.155 0.000 10.121) 10.348 5.439 ( -2.534 0.000 17.383) 17.566 5.528 ( 2.544 0.000 14.159) 14.386 5.775 ( -0.340 0.000 11.671) 11.676 5.807 ( -7.878 0.000 4.989) 9.325 6.262 ( -7.896 0.000 7.800) 11.099 6.343 ( 12.318 0.000 8.096) 14.740 6.587 ( 7.896 0.000 -12.006) 14.370 6.862 ( -2.389 0.000 -8.637) 8.961 6.963 ( -7.217 0.000 -0.617) 7.244 7.657 ( 9.982 0.000 -0.009) 9.982 8.315 ( -11.060 0.000 0.088) 11.061 8.680 ( 0.878 0.000 -16.446) 16.470 8.887 ( -4.823 0.000 -15.624) 16.351 9.536 ( 2.164 0.000 13.467) 13.639 9.804 ( -5.414 0.000 13.348) 14.405 10.087 ( 3.325 0.000 13.154) 13.567 10.136 ( 1.581 0.000 12.369) 12.470 10.306 ( 7.189 0.000 9.877) 12.216 10.544 ( -0.839 0.000 12.137) 12.166 13.160 ( 5.456 0.000 1.594) 5.684 13.206 ( 4.228 0.000 -1.077) 4.363 13.685 ( 27.173 0.000 4.665) 27.571 15.372 ( -1.494 0.000 -2.626) 3.021 15.737 ( -7.626 0.000 -11.281) 13.617 15.951 ( -39.168 0.000 -5.737) 39.586 20.555 ( 7.820 0.000 -6.476) 10.153 20.804 ( -1.492 0.000 -2.145) 2.613 21.334 ( 0.584 0.000 -6.694) 6.720 21.659 ( -7.207 0.000 -13.199) 15.038 ======================= Grid point 184 (65/120) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 4.128 0.000 6.987) 8.115 1.990 ( -1.213 0.000 7.756) 7.850 2.274 ( 3.857 0.000 16.432) 16.879 2.333 ( -2.178 0.000 19.391) 19.512 4.125 ( 0.562 0.000 -2.590) 2.651 4.148 ( -1.532 0.000 -2.521) 2.950 4.235 ( 11.508 0.000 11.319) 16.142 4.463 ( -9.768 0.000 3.819) 10.488 4.778 ( 2.990 0.000 25.286) 25.462 4.857 ( -6.306 0.000 27.109) 27.833 5.249 ( 6.533 0.000 2.550) 7.013 5.301 ( 0.650 0.000 10.372) 10.393 5.403 ( -1.284 0.000 14.316) 14.373 5.411 ( -1.621 0.000 16.097) 16.178 5.610 ( 3.319 0.000 5.122) 6.103 5.676 ( -4.861 0.000 2.268) 5.364 5.845 ( 8.555 0.000 18.046) 19.971 6.062 ( -11.814 0.000 13.963) 18.290 6.583 ( 11.808 0.000 5.104) 12.864 6.721 ( 5.712 0.000 -12.277) 13.541 6.794 ( -9.081 0.000 4.751) 10.249 6.811 ( -4.089 0.000 -13.838) 14.429 7.866 ( 11.226 0.000 -0.064) 11.227 8.091 ( -11.663 0.000 -0.011) 11.663 8.719 ( 3.053 0.000 -16.874) 17.148 8.794 ( -4.473 0.000 -16.684) 17.273 9.602 ( 4.331 0.000 13.535) 14.211 9.698 ( -5.328 0.000 13.383) 14.404 10.137 ( 1.727 0.000 12.073) 12.196 10.153 ( 0.067 0.000 11.943) 11.943 10.427 ( 5.130 0.000 9.987) 11.228 10.506 ( -3.003 0.000 10.977) 11.380 13.242 ( 2.785 0.000 3.256) 4.285 13.260 ( 1.044 0.000 2.009) 2.264 14.299 ( 35.205 0.000 5.084) 35.570 15.027 ( -36.764 0.000 5.050) 37.109 15.523 ( -0.468 0.000 -12.252) 12.261 15.599 ( -6.164 0.000 -12.235) 13.700 20.689 ( 5.525 0.000 -5.129) 7.539 20.767 ( -2.627 0.000 -3.149) 4.101 21.383 ( 4.611 0.000 -8.128) 9.345 21.508 ( -7.680 0.000 -10.975) 13.395 ======================= Grid point 189 (66/120) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 5.769 12.714) 13.962 1.879 ( 0.000 -2.670 15.410) 15.640 1.937 ( 0.000 1.258 22.080) 22.116 2.284 ( 0.000 -7.060 28.070) 28.944 4.096 ( 0.000 0.468 13.804) 13.812 4.227 ( 0.000 2.740 -4.679) 5.423 4.372 ( 0.000 6.931 -0.586) 6.956 4.385 ( 0.000 -2.298 3.713) 4.367 4.688 ( 0.000 6.854 31.408) 32.147 4.851 ( 0.000 -4.571 0.579) 4.608 4.932 ( 0.000 -2.801 -0.961) 2.961 5.160 ( 0.000 0.985 12.411) 12.450 5.221 ( 0.000 -1.310 11.137) 11.214 5.454 ( 0.000 -9.927 16.651) 19.386 5.913 ( 0.000 0.645 8.942) 8.965 5.933 ( 0.000 -0.679 14.351) 14.367 6.006 ( 0.000 0.106 17.402) 17.402 6.033 ( 0.000 -2.612 6.039) 6.580 6.259 ( 0.000 1.064 -15.802) 15.837 6.291 ( 0.000 3.965 0.225) 3.971 6.956 ( 0.000 -0.263 -1.064) 1.096 7.144 ( 0.000 -2.298 -6.294) 6.701 7.474 ( 0.000 12.890 0.223) 12.891 8.446 ( 0.000 -14.400 -5.179) 15.303 8.930 ( 0.000 8.814 -10.456) 13.675 9.065 ( 0.000 1.693 -8.017) 8.194 9.678 ( 0.000 -1.356 5.745) 5.903 9.758 ( 0.000 -4.677 14.118) 14.872 9.877 ( 0.000 -1.739 18.588) 18.669 9.951 ( 0.000 -4.091 15.735) 16.259 10.181 ( 0.000 6.897 12.084) 13.914 10.462 ( 0.000 -1.701 12.032) 12.152 12.745 ( 0.000 -2.202 -8.952) 9.219 12.757 ( 0.000 -7.282 0.395) 7.293 13.572 ( 0.000 35.096 1.792) 35.142 15.407 ( 0.000 1.103 1.333) 1.730 15.997 ( 0.000 -2.885 -7.288) 7.838 16.941 ( 0.000 -44.586 -11.768) 46.113 20.606 ( 0.000 27.591 -11.614) 29.936 20.930 ( 0.000 5.076 -4.773) 6.968 21.330 ( 0.000 -5.429 -7.874) 9.565 21.785 ( 0.000 -5.320 -14.334) 15.289 ======================= Grid point 190 (67/120) ======================= q-point: ( 0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 4.749 3.847 10.833) 12.439 1.872 ( 0.120 -3.779 14.951) 15.422 2.003 ( 5.618 2.461 20.560) 21.455 2.301 ( 1.707 -5.650 27.574) 28.199 4.031 ( -4.407 1.845 11.263) 12.234 4.252 ( -0.175 1.710 -5.046) 5.330 4.299 ( -2.582 -0.217 5.009) 5.639 4.486 ( 4.761 1.861 0.993) 5.207 4.661 ( -2.412 4.468 22.664) 23.225 4.784 ( 1.882 0.645 9.953) 10.150 5.113 ( 10.072 -3.791 -1.143) 10.823 5.154 ( -0.042 0.358 11.614) 11.619 5.243 ( 1.875 -0.931 12.217) 12.395 5.452 ( -0.192 -9.063 16.458) 18.790 5.821 ( -9.217 -0.121 12.903) 15.857 5.855 ( -3.753 -2.150 9.888) 10.793 6.013 ( -1.834 2.006 18.148) 18.350 6.076 ( 2.971 0.094 11.324) 11.707 6.280 ( 4.181 1.750 -16.234) 16.855 6.351 ( 3.849 1.513 -2.775) 4.981 6.944 ( -1.257 -0.110 -1.703) 2.119 7.120 ( -2.467 -2.337 -5.304) 6.299 7.501 ( 2.780 11.799 -0.022) 12.122 8.422 ( -2.297 -13.763 -4.724) 14.731 8.883 ( -4.522 7.917 -10.505) 13.910 9.046 ( -2.145 1.359 -10.088) 10.403 9.600 ( -4.338 0.420 9.798) 10.724 9.813 ( 1.964 -6.965 13.388) 15.219 9.922 ( 4.156 -1.893 15.476) 16.136 9.990 ( 3.914 -2.075 15.587) 16.205 10.186 ( 1.010 7.189 11.773) 13.831 10.484 ( 1.852 -1.887 12.281) 12.563 12.788 ( 4.331 -5.171 -2.011) 7.038 12.844 ( 8.894 -4.226 -5.935) 11.497 13.579 ( 0.629 33.453 2.749) 33.572 15.410 ( 0.315 1.464 0.093) 1.500 15.951 ( -4.786 -3.632 -7.494) 9.605 16.781 ( -15.914 -40.749 -10.150) 44.908 20.614 ( 1.013 25.788 -11.156) 28.116 20.911 ( -1.628 4.662 -3.865) 6.271 21.320 ( -0.990 -5.069 -7.511) 9.115 21.770 ( -1.677 -5.724 -14.598) 15.769 ======================= Grid point 191 (68/120) ======================= q-point: ( 0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 5.756 -0.680 7.916) 9.811 1.884 ( 0.790 -5.826 11.809) 13.191 2.132 ( 7.114 4.441 18.769) 20.558 2.349 ( 2.958 -1.732 25.742) 25.969 3.969 ( -1.488 0.723 10.748) 10.875 4.224 ( -2.155 1.707 -3.684) 4.597 4.238 ( -3.113 -0.936 4.716) 5.728 4.544 ( 1.990 -0.886 4.241) 4.768 4.677 ( 2.982 4.510 21.242) 21.919 4.890 ( 7.089 0.718 6.073) 9.363 5.144 ( -0.335 0.712 11.747) 11.773 5.268 ( 2.412 -1.675 8.911) 9.382 5.301 ( 6.349 -1.491 6.881) 9.481 5.450 ( 0.254 -5.973 16.317) 17.378 5.621 ( -10.208 1.991 17.015) 19.942 5.796 ( -2.381 -3.153 7.525) 8.499 5.924 ( -5.720 0.951 14.179) 15.319 6.161 ( 4.452 0.147 15.944) 16.554 6.346 ( 1.762 1.533 -7.336) 7.699 6.457 ( 7.170 1.778 -10.145) 12.549 6.910 ( -2.005 0.353 -4.029) 4.514 7.051 ( -4.529 -2.323 -3.101) 5.960 7.583 ( 5.646 9.065 -0.297) 10.684 8.358 ( -4.283 -11.398 -3.150) 12.577 8.774 ( -5.913 5.402 -11.872) 14.321 8.976 ( -4.939 -0.218 -13.520) 14.395 9.548 ( -0.742 2.129 12.362) 12.566 9.823 ( -0.821 -5.698 13.488) 14.665 9.997 ( 3.571 -0.778 13.987) 14.457 10.096 ( 5.930 -0.465 13.508) 14.760 10.234 ( 3.909 5.847 11.168) 13.198 10.517 ( 1.199 -2.134 12.498) 12.736 12.910 ( 7.891 -3.857 0.144) 8.784 13.098 ( 16.758 -4.539 -6.919) 18.689 13.591 ( 0.472 27.732 6.184) 28.417 15.423 ( 1.147 2.582 -3.154) 4.235 15.803 ( -10.981 -8.243 -7.306) 15.553 16.357 ( -25.632 -28.231 -6.867) 38.745 20.651 ( 2.813 20.806 -10.045) 23.274 20.879 ( -1.465 4.360 -2.705) 5.336 21.296 ( -1.229 -4.608 -6.526) 8.083 21.711 ( -4.500 -6.317 -14.550) 16.488 ======================= Grid point 192 (69/120) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 4.522 -5.133 6.422) 9.383 1.892 ( -0.236 -7.733 8.620) 11.582 2.266 ( 6.354 6.062 17.539) 19.615 2.403 ( 2.152 2.728 22.506) 22.772 3.977 ( 2.013 -2.608 8.736) 9.337 4.145 ( -3.974 -4.991 1.876) 6.650 4.249 ( 3.088 7.839 1.846) 8.625 4.572 ( 0.318 -0.275 2.338) 2.376 4.732 ( 2.327 1.987 22.612) 22.818 4.950 ( -3.600 -4.170 15.297) 16.259 5.169 ( 4.302 4.399 2.855) 6.783 5.289 ( 0.974 0.175 13.843) 13.879 5.410 ( 3.086 -0.448 8.899) 9.429 5.458 ( -3.862 2.356 17.079) 17.668 5.497 ( 3.764 -2.735 14.951) 15.659 5.747 ( -3.242 -3.302 6.373) 7.876 5.824 ( -3.304 2.594 12.683) 13.361 6.171 ( -4.622 -6.294 12.972) 15.141 6.422 ( 7.308 5.228 2.570) 9.346 6.601 ( 6.995 0.810 -11.434) 13.428 6.870 ( -2.161 0.690 -7.567) 7.900 6.943 ( -6.487 -1.631 -1.392) 6.832 7.719 ( 8.174 5.832 -0.309) 10.046 8.249 ( -7.078 -6.240 -0.860) 9.475 8.681 ( -2.869 0.592 -14.484) 14.777 8.864 ( -6.216 -2.480 -15.302) 16.702 9.566 ( 2.314 2.806 13.215) 13.706 9.783 ( -3.165 -2.041 13.333) 13.854 10.074 ( 4.305 0.852 12.528) 13.274 10.186 ( 2.834 2.014 11.995) 12.489 10.330 ( 5.438 2.449 10.403) 11.992 10.523 ( -0.590 -1.945 11.969) 12.141 13.085 ( 9.635 -0.379 1.838) 9.816 13.429 ( 9.997 7.895 -9.659) 15.987 13.651 ( 12.426 4.362 13.505) 18.864 15.436 ( -23.795 -11.536 0.353) 26.447 15.466 ( -1.214 -7.162 -9.337) 11.830 15.914 ( -16.383 -3.824 -8.594) 18.891 20.721 ( 4.040 14.617 -8.541) 17.404 20.856 ( -0.948 4.924 -2.687) 5.689 21.286 ( 0.547 -4.573 -6.049) 7.602 21.596 ( -7.037 -6.279 -13.280) 16.288 ======================= Grid point 193 (70/120) ======================= q-point: ( 0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 3.026 -7.791 6.040) 10.311 1.873 ( -1.660 -8.555 6.692) 10.987 2.370 ( 4.045 6.661 17.800) 19.431 2.418 ( -0.791 5.633 19.501) 20.314 4.027 ( 2.701 -5.135 4.813) 7.539 4.080 ( -2.850 -5.290 2.721) 6.596 4.361 ( 8.110 7.912 2.358) 11.573 4.521 ( -6.327 3.907 -1.467) 7.579 4.770 ( 1.957 -0.560 24.992) 25.075 4.833 ( -5.236 -2.090 27.053) 27.634 5.260 ( 3.830 1.135 4.090) 5.717 5.307 ( -0.409 0.339 11.504) 11.516 5.406 ( 0.413 1.211 14.708) 14.763 5.434 ( -0.830 0.955 15.820) 15.871 5.606 ( 4.314 -0.192 2.690) 5.088 5.671 ( -3.622 -0.543 0.757) 3.740 5.845 ( 6.047 0.127 19.060) 19.997 6.018 ( -9.770 -3.881 15.200) 18.481 6.594 ( 9.196 1.078 6.114) 11.096 6.707 ( 2.065 -1.366 -5.059) 5.633 6.807 ( -5.043 1.230 -2.688) 5.845 6.824 ( -3.185 1.127 -13.798) 14.206 7.896 ( 9.611 2.794 -0.124) 10.010 8.085 ( -9.410 -0.784 0.027) 9.443 8.674 ( 1.999 -3.503 -15.797) 16.303 8.748 ( -5.234 -4.108 -15.852) 17.192 9.629 ( 3.868 2.357 13.263) 14.015 9.709 ( -4.142 0.794 13.266) 13.921 10.155 ( 3.641 2.354 11.581) 12.366 10.203 ( -0.982 3.119 11.417) 11.876 10.428 ( 4.313 0.299 10.026) 10.918 10.494 ( -2.413 -1.053 10.776) 11.093 13.270 ( 8.937 5.247 2.818) 10.739 13.417 ( -5.654 12.696 1.125) 13.944 14.135 ( 31.207 -14.265 6.021) 34.837 14.794 ( -35.124 -20.597 3.675) 40.883 15.546 ( 5.652 4.282 -10.404) 12.591 15.686 ( -8.749 3.948 -10.975) 14.580 20.793 ( 3.042 9.469 -6.232) 11.737 20.835 ( -1.390 6.425 -3.916) 7.651 21.332 ( 4.389 -4.894 -7.692) 10.118 21.451 ( -7.296 -5.586 -10.766) 14.154 ======================= Grid point 198 (71/120) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 8.197 15.734) 17.741 1.793 ( 0.000 -5.882 16.269) 17.300 1.989 ( 0.000 4.190 22.633) 23.017 2.117 ( 0.000 -8.108 25.322) 26.589 4.136 ( 0.000 3.448 5.910) 6.842 4.221 ( 0.000 -3.885 3.441) 5.190 4.410 ( 0.000 5.047 -5.742) 7.645 4.481 ( 0.000 1.012 -1.193) 1.564 4.774 ( 0.000 -0.355 6.639) 6.649 4.845 ( 0.000 -5.209 7.829) 9.404 4.892 ( 0.000 12.491 25.347) 28.258 5.156 ( 0.000 -9.417 16.272) 18.801 5.184 ( 0.000 1.317 11.982) 12.054 5.231 ( 0.000 -6.283 14.839) 16.114 5.915 ( 0.000 -0.180 8.151) 8.153 5.920 ( 0.000 -0.164 8.081) 8.082 6.013 ( 0.000 0.555 15.003) 15.013 6.021 ( 0.000 -0.098 13.606) 13.607 6.289 ( 0.000 1.723 -10.010) 10.157 6.319 ( 0.000 -0.726 -4.657) 4.713 6.995 ( 0.000 3.649 -3.988) 5.405 7.079 ( 0.000 -3.966 -5.601) 6.863 7.785 ( 0.000 16.633 -1.142) 16.672 8.128 ( 0.000 -16.449 -3.222) 16.761 9.065 ( 0.000 4.080 -11.190) 11.911 9.096 ( 0.000 0.650 -9.641) 9.663 9.657 ( 0.000 -0.289 8.247) 8.252 9.678 ( 0.000 -2.552 11.396) 11.679 9.848 ( 0.000 -0.483 18.030) 18.037 9.874 ( 0.000 -2.969 17.568) 17.817 10.312 ( 0.000 5.670 12.184) 13.439 10.407 ( 0.000 -3.657 12.136) 12.675 12.680 ( 0.000 -0.892 -1.385) 1.647 12.697 ( 0.000 -2.039 -4.993) 5.393 14.426 ( 0.000 46.578 0.617) 46.582 15.265 ( 0.000 -24.431 -2.717) 24.582 15.932 ( 0.000 -2.230 -4.107) 4.673 16.081 ( 0.000 -26.380 -1.382) 26.416 21.017 ( 0.000 9.089 -4.684) 10.225 21.188 ( 0.000 -7.983 -5.837) 9.889 21.209 ( 0.000 22.784 -17.441) 28.694 21.594 ( 0.000 -13.867 -17.265) 22.144 ======================= Grid point 199 (72/120) ======================= q-point: ( 0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.653 6.209 13.161) 14.567 1.776 ( -1.165 -5.633 14.258) 15.374 2.065 ( 6.855 3.861 22.458) 23.797 2.170 ( 5.136 -6.306 25.415) 26.684 4.093 ( -3.849 4.283 6.459) 8.653 4.197 ( -2.819 -5.338 4.030) 7.258 4.371 ( -1.843 5.966 -1.226) 6.364 4.482 ( -0.725 -3.676 0.084) 3.748 4.784 ( 2.073 6.923 5.336) 8.983 4.849 ( 1.664 3.570 17.741) 18.173 5.028 ( 9.709 -1.734 8.313) 12.899 5.130 ( -0.737 -5.070 15.252) 16.089 5.226 ( 2.509 -0.520 12.653) 12.910 5.258 ( 2.833 -6.249 16.141) 17.538 5.813 ( -6.977 -0.277 9.127) 11.492 5.820 ( -6.624 -0.941 13.287) 14.877 6.065 ( -0.061 2.248 17.815) 17.956 6.086 ( 3.723 0.191 15.532) 15.973 6.312 ( 3.424 1.680 -14.593) 15.083 6.349 ( 3.417 -1.544 -8.581) 9.364 6.980 ( -1.567 3.320 -3.558) 5.112 7.056 ( -2.227 -3.707 -4.713) 6.396 7.791 ( 0.712 15.721 -1.288) 15.790 8.118 ( -0.933 -15.758 -3.154) 16.098 9.008 ( -5.363 4.386 -10.815) 12.844 9.060 ( -3.884 -0.637 -11.143) 11.818 9.625 ( -1.610 2.266 10.466) 10.829 9.694 ( 0.801 -4.506 11.501) 12.378 9.897 ( 4.608 0.119 16.258) 16.898 9.933 ( 5.359 -2.927 16.461) 17.557 10.323 ( 1.121 5.918 12.062) 13.482 10.424 ( 1.457 -3.937 12.225) 12.926 12.735 ( 5.652 -0.006 -1.368) 5.815 12.771 ( 7.459 -3.027 -4.376) 9.162 14.399 ( -2.950 45.135 1.358) 45.252 15.247 ( -2.273 -27.485 -3.148) 27.758 15.868 ( -6.550 -1.886 -3.198) 7.529 16.019 ( -5.481 -21.588 -2.630) 22.428 21.012 ( -0.553 8.275 -4.440) 9.407 21.135 ( -3.458 7.279 -10.645) 13.352 21.225 ( -0.040 7.814 -11.348) 13.778 21.572 ( -2.291 -14.072 -16.739) 21.988 ======================= Grid point 200 (73/120) ======================= q-point: ( 0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.912 2.543 8.913) 9.313 1.757 ( -0.827 -5.961 10.254) 11.889 2.223 ( 8.600 4.203 21.438) 23.478 2.298 ( 7.355 -3.129 24.184) 25.470 4.014 ( -3.618 3.788 7.603) 9.233 4.117 ( -4.696 -5.917 5.016) 9.068 4.362 ( 0.985 6.760 1.732) 7.047 4.485 ( 1.400 -4.813 4.009) 6.418 4.804 ( 0.043 6.896 14.041) 15.643 4.899 ( 1.390 -1.250 8.082) 8.296 5.154 ( 3.649 0.789 9.350) 10.068 5.206 ( 6.742 -3.848 3.368) 8.462 5.287 ( 4.769 0.509 14.328) 15.109 5.333 ( 4.678 -4.373 16.573) 17.767 5.661 ( -7.625 2.178 15.346) 17.274 5.717 ( -4.280 -3.443 13.318) 14.406 6.002 ( -4.905 5.252 15.663) 17.233 6.107 ( -1.854 -4.487 17.325) 17.993 6.409 ( 6.004 3.469 -11.249) 13.214 6.462 ( 7.149 -1.369 -11.405) 13.530 6.938 ( -2.548 2.325 -3.305) 4.777 6.995 ( -3.916 -2.971 -3.121) 5.823 7.818 ( 2.165 13.167 -1.411) 13.419 8.097 ( -1.035 -13.648 -2.744) 13.960 8.873 ( -8.054 4.289 -11.341) 14.556 8.947 ( -7.370 -2.740 -12.707) 14.943 9.615 ( 0.563 4.211 12.025) 12.754 9.712 ( 0.935 -5.123 12.232) 13.295 10.007 ( 6.180 1.918 14.038) 15.458 10.061 ( 7.151 -2.729 13.940) 15.903 10.353 ( 1.903 5.501 11.748) 13.111 10.453 ( 1.214 -4.096 12.211) 12.936 12.898 ( 10.832 2.321 -0.489) 11.089 12.985 ( 14.307 -5.595 -3.320) 15.717 14.298 ( -7.704 40.123 3.538) 41.009 15.135 ( -10.870 -36.488 -2.319) 38.143 15.709 ( -7.703 5.485 -2.823) 9.869 15.903 ( -5.873 -13.336 -5.918) 15.728 20.997 ( -0.839 7.000 -3.874) 8.044 21.078 ( -1.930 11.457 -11.533) 16.371 21.204 ( -1.800 2.850 -7.760) 8.460 21.505 ( -4.525 -13.992 -15.169) 21.127 ======================= Grid point 201 (74/120) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 1.010 -0.622 5.918) 6.035 1.741 ( -0.838 -5.822 6.779) 8.975 2.379 ( 6.967 4.351 20.185) 21.792 2.430 ( 5.560 -0.493 21.850) 22.551 3.965 ( -1.281 1.556 7.895) 8.148 4.035 ( -3.437 -4.959 5.911) 8.447 4.409 ( 3.846 7.235 2.246) 8.496 4.529 ( 2.687 -4.140 2.854) 5.702 4.794 ( -1.103 3.781 17.407) 17.847 4.873 ( -3.600 -3.723 14.827) 15.705 5.238 ( 3.746 2.658 3.927) 6.043 5.282 ( 2.455 -1.298 10.036) 10.413 5.401 ( 4.550 0.310 10.056) 11.042 5.435 ( 4.332 -2.743 14.937) 15.792 5.544 ( -2.370 5.435 13.688) 14.916 5.657 ( -1.676 -5.240 9.171) 10.695 5.908 ( -4.141 5.395 15.618) 17.034 6.035 ( -4.996 -6.726 15.968) 18.033 6.527 ( 5.670 4.568 -2.587) 7.727 6.595 ( 5.883 -1.811 -8.165) 10.225 6.886 ( -2.611 0.936 -5.555) 6.209 6.910 ( -4.543 -1.408 -3.865) 6.128 7.879 ( 4.106 9.326 -1.046) 10.244 8.080 ( -0.918 -9.662 -1.550) 9.829 8.716 ( -7.217 2.856 -12.800) 14.969 8.791 ( -8.010 -4.100 -13.647) 16.347 9.641 ( 1.951 4.203 12.718) 13.536 9.724 ( 0.178 -3.613 12.829) 13.329 10.125 ( 5.583 3.504 11.876) 13.582 10.187 ( 5.032 -1.845 11.640) 12.814 10.396 ( 2.470 3.628 11.088) 11.925 10.468 ( 0.444 -3.270 11.568) 12.030 13.150 ( 14.622 6.376 0.903) 15.977 13.323 ( 20.078 -9.709 -2.425) 22.434 14.094 ( -12.970 31.012 6.740) 34.285 14.794 ( -23.058 -35.422 1.798) 42.304 15.627 ( -0.792 8.993 -6.685) 11.234 15.798 ( -4.828 -7.299 -8.518) 12.212 20.986 ( -0.020 7.674 -4.116) 8.708 21.059 ( -0.499 13.568 -12.153) 18.222 21.171 ( -0.995 -3.624 -4.382) 5.772 21.400 ( -5.921 -12.734 -12.760) 18.974 ======================= Grid point 202 (75/120) ======================= q-point: ( 0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 1.000 -3.051 4.513) 5.539 1.724 ( -0.942 -4.804 4.793) 6.852 2.481 ( 3.243 3.518 19.627) 20.202 2.500 ( 1.371 1.758 20.147) 20.270 3.960 ( 0.592 -1.126 7.350) 7.460 3.984 ( -1.870 -3.338 6.629) 7.654 4.504 ( 5.269 5.479 -2.044) 7.872 4.566 ( 0.034 -0.250 -4.630) 4.637 4.765 ( -1.172 0.354 23.933) 23.964 4.789 ( -3.745 -1.854 25.216) 25.560 5.290 ( 1.918 1.597 9.097) 9.433 5.312 ( 0.122 -0.227 13.612) 13.615 5.429 ( -0.223 0.766 13.646) 13.669 5.442 ( -0.671 -0.231 15.708) 15.724 5.617 ( 4.781 1.439 -2.412) 5.545 5.651 ( 0.361 -1.453 -2.679) 3.069 5.862 ( 0.212 1.879 20.858) 20.944 5.928 ( -5.447 -4.325 18.866) 20.108 6.625 ( 4.300 1.935 6.233) 7.816 6.669 ( 0.908 -2.186 2.882) 3.730 6.835 ( -1.909 1.127 -10.301) 10.537 6.843 ( -1.997 0.377 -13.131) 13.287 7.971 ( 4.829 4.193 -0.199) 6.398 8.048 ( -2.718 -2.943 -0.057) 4.007 8.622 ( -1.719 -0.670 -14.475) 14.592 8.658 ( -4.980 -3.812 -14.480) 15.780 9.682 ( 2.052 2.451 13.058) 13.443 9.715 ( -1.139 -0.554 13.139) 13.200 10.213 ( 3.143 2.594 10.800) 11.544 10.241 ( 0.474 0.160 10.750) 10.762 10.444 ( 2.124 1.181 10.177) 10.463 10.469 ( -0.476 -1.238 10.389) 10.473 13.457 ( 16.434 12.696 1.466) 20.819 13.714 ( 6.720 2.001 -11.858) 13.776 13.854 ( 1.756 2.400 18.835) 19.069 14.295 ( -26.612 -25.947 5.060) 37.510 15.650 ( 2.548 4.724 -9.360) 10.790 15.714 ( -3.818 -1.130 -9.812) 10.589 21.001 ( 1.459 9.472 -5.584) 11.092 21.037 ( -1.854 12.643 -8.944) 15.597 21.192 ( 3.278 -8.386 -6.170) 10.915 21.284 ( -5.687 -10.496 -9.788) 15.437 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 0.000 14.395) 14.395 2.220 ( 0.000 0.000 14.890) 14.890 2.403 ( 0.000 0.000 23.370) 23.370 2.950 ( 0.000 0.000 27.591) 27.591 4.003 ( 0.000 0.000 -11.075) 11.075 4.131 ( 0.000 0.000 -7.564) 7.564 4.452 ( 0.000 0.000 10.785) 10.785 4.486 ( 0.000 0.000 0.147) 0.147 4.826 ( 0.000 0.000 -5.995) 5.995 4.937 ( 0.000 0.000 3.568) 3.568 5.176 ( 0.000 0.000 22.244) 22.244 5.375 ( 0.000 0.000 9.250) 9.250 5.448 ( 0.000 0.000 9.250) 9.250 5.744 ( 0.000 0.000 -13.076) 13.076 5.851 ( 0.000 0.000 -19.690) 19.690 5.864 ( 0.000 0.000 8.514) 8.514 6.127 ( 0.000 0.000 12.750) 12.750 6.295 ( 0.000 0.000 14.941) 14.941 6.347 ( 0.000 0.000 13.460) 13.460 6.614 ( 0.000 0.000 17.436) 17.436 7.059 ( 0.000 0.000 -4.235) 4.235 7.080 ( 0.000 0.000 10.029) 10.029 7.335 ( 0.000 0.000 1.237) 1.237 8.394 ( 0.000 0.000 -16.768) 16.768 8.687 ( 0.000 0.000 -1.003) 1.003 8.757 ( 0.000 0.000 -18.084) 18.084 9.901 ( 0.000 0.000 12.691) 12.691 10.106 ( 0.000 0.000 11.465) 11.465 10.221 ( 0.000 0.000 12.040) 12.040 10.277 ( 0.000 0.000 8.701) 8.701 10.300 ( 0.000 0.000 12.083) 12.083 10.670 ( 0.000 0.000 6.772) 6.772 12.561 ( 0.000 0.000 -9.290) 9.290 12.880 ( 0.000 0.000 -4.622) 4.622 13.162 ( 0.000 0.000 3.378) 3.378 15.505 ( 0.000 0.000 8.492) 8.492 15.871 ( 0.000 0.000 -6.774) 6.774 17.044 ( 0.000 0.000 -21.808) 21.808 20.137 ( 0.000 0.000 -4.701) 4.701 20.803 ( 0.000 0.000 -3.521) 3.521 21.211 ( 0.000 0.000 -8.025) 8.025 21.606 ( 0.000 0.000 -9.440) 9.440 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.11 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 4.306 0.000 12.876) 13.577 2.216 ( -0.449 0.000 13.758) 13.765 2.421 ( 1.827 0.000 22.517) 22.591 2.939 ( -1.057 0.000 27.119) 27.140 4.016 ( 1.279 0.000 -8.136) 8.236 4.106 ( -2.140 0.000 -6.671) 7.005 4.432 ( -2.302 0.000 7.721) 8.057 4.515 ( 2.480 0.000 -0.665) 2.568 4.705 ( -5.037 0.000 -3.623) 6.205 5.133 ( 12.874 0.000 1.546) 12.966 5.198 ( 2.376 0.000 21.967) 22.095 5.366 ( -0.420 0.000 9.227) 9.237 5.482 ( 2.862 0.000 9.661) 10.076 5.768 ( 2.358 0.000 -10.013) 10.287 5.824 ( -2.614 0.000 -17.265) 17.462 5.846 ( -1.666 0.000 9.024) 9.177 6.175 ( 4.511 0.000 11.169) 12.045 6.213 ( -8.155 0.000 13.996) 16.199 6.381 ( 3.521 0.000 13.144) 13.607 6.612 ( 0.009 0.000 15.362) 15.362 7.032 ( -4.260 0.000 8.635) 9.629 7.074 ( 0.647 0.000 -1.047) 1.231 7.378 ( 4.290 0.000 1.228) 4.462 8.374 ( -1.857 0.000 -17.085) 17.186 8.640 ( -4.693 0.000 -0.963) 4.791 8.724 ( -3.257 0.000 -18.081) 18.372 9.849 ( -3.417 0.000 13.332) 13.763 10.192 ( 6.782 0.000 10.210) 12.257 10.225 ( 0.172 0.000 11.228) 11.229 10.263 ( -3.102 0.000 11.547) 11.956 10.287 ( 1.061 0.000 8.168) 8.237 10.702 ( 2.696 0.000 7.290) 7.772 12.648 ( 8.564 0.000 -9.089) 12.488 12.920 ( 4.107 0.000 -4.271) 5.925 13.220 ( 6.033 0.000 4.048) 7.265 15.478 ( -2.733 0.000 7.197) 7.699 15.823 ( -4.751 0.000 -7.137) 8.573 16.882 ( -16.245 0.000 -19.905) 25.693 20.175 ( 3.851 0.000 -4.838) 6.183 20.799 ( -0.322 0.000 -2.938) 2.955 21.209 ( -0.172 0.000 -7.459) 7.461 21.587 ( -2.048 0.000 -9.786) 9.998 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.22 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 5.979 0.000 9.199) 10.972 2.200 ( -1.240 0.000 10.858) 10.929 2.475 ( 3.646 0.000 21.005) 21.319 2.908 ( -2.165 0.000 25.823) 25.913 4.053 ( 2.355 0.000 -3.442) 4.171 4.065 ( -1.662 0.000 -5.313) 5.567 4.366 ( -3.623 0.000 5.732) 6.781 4.558 ( 1.364 0.000 -1.988) 2.411 4.684 ( 2.721 0.000 -7.166) 7.666 5.253 ( 3.605 0.000 20.073) 20.394 5.367 ( 0.405 0.000 9.815) 9.824 5.393 ( 12.422 0.000 4.529) 13.222 5.542 ( 2.774 0.000 10.366) 10.731 5.759 ( -3.720 0.000 -10.808) 11.431 5.806 ( -2.251 0.000 9.890) 10.143 5.833 ( 4.454 0.000 -3.995) 5.983 5.999 ( -12.988 0.000 10.688) 16.821 6.288 ( 6.709 0.000 8.776) 11.047 6.483 ( 6.764 0.000 12.132) 13.890 6.614 ( -0.017 0.000 13.418) 13.418 6.910 ( -8.040 0.000 7.180) 10.779 7.077 ( -0.749 0.000 2.378) 2.493 7.496 ( 7.652 0.000 1.170) 7.741 8.333 ( -1.931 0.000 -18.032) 18.135 8.509 ( -8.463 0.000 -0.333) 8.469 8.637 ( -5.402 0.000 -18.666) 19.431 9.805 ( -0.888 0.000 13.542) 13.571 10.170 ( -4.846 0.000 11.891) 12.840 10.250 ( 0.916 0.000 8.072) 8.124 10.291 ( 1.708 0.000 6.590) 6.807 10.352 ( 6.582 0.000 8.607) 10.835 10.749 ( 1.524 0.000 7.961) 8.106 12.871 ( 13.204 0.000 -7.870) 15.371 13.034 ( 7.257 0.000 -2.985) 7.847 13.410 ( 14.012 0.000 5.234) 14.958 15.406 ( -4.338 0.000 3.549) 5.605 15.694 ( -8.179 0.000 -8.186) 11.572 16.433 ( -28.878 0.000 -15.074) 32.575 20.282 ( 6.883 0.000 -5.121) 8.579 20.790 ( -0.674 0.000 -1.840) 1.960 21.206 ( -0.027 0.000 -6.145) 6.145 21.525 ( -4.299 0.000 -10.185) 11.055 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 5.203 0.000 5.437) 7.526 2.167 ( -2.205 0.000 7.377) 7.700 2.562 ( 5.184 0.000 20.443) 21.090 2.854 ( -3.434 0.000 24.044) 24.288 4.047 ( -0.174 0.000 -4.345) 4.349 4.091 ( 0.925 0.000 -3.190) 3.322 4.327 ( 0.424 0.000 6.381) 6.395 4.554 ( -1.941 0.000 -2.769) 3.381 4.799 ( 8.739 0.000 -7.624) 11.597 5.327 ( 3.789 0.000 17.722) 18.123 5.372 ( -0.517 0.000 12.550) 12.561 5.557 ( -3.085 0.000 10.056) 10.519 5.583 ( 5.972 0.000 5.363) 8.026 5.694 ( -2.836 0.000 -6.634) 7.215 5.756 ( -8.920 0.000 9.265) 12.861 5.764 ( -1.766 0.000 9.074) 9.244 5.963 ( 9.453 0.000 4.773) 10.589 6.423 ( 6.771 0.000 6.061) 9.087 6.598 ( -2.535 0.000 18.017) 18.194 6.635 ( 8.393 0.000 11.178) 13.978 6.732 ( -9.191 0.000 -0.408) 9.200 7.036 ( -3.492 0.000 5.939) 6.889 7.669 ( 9.821 0.000 1.013) 9.873 8.312 ( 0.016 0.000 -19.286) 19.286 8.318 ( -10.828 0.000 0.239) 10.830 8.524 ( -5.842 0.000 -19.437) 20.296 9.816 ( 1.914 0.000 13.129) 13.268 10.069 ( -5.368 0.000 11.973) 13.121 10.270 ( 1.069 0.000 5.225) 5.333 10.307 ( 0.266 0.000 4.439) 4.447 10.485 ( 6.579 0.000 7.857) 10.247 10.751 ( -1.372 0.000 8.163) 8.277 13.115 ( 10.762 0.000 -3.833) 11.424 13.183 ( 7.281 0.000 -0.665) 7.311 13.789 ( 24.872 0.000 4.135) 25.213 15.324 ( -3.573 0.000 -1.445) 3.854 15.521 ( -8.985 0.000 -9.573) 13.129 15.791 ( -35.789 0.000 -9.447) 37.015 20.434 ( 8.310 0.000 -5.149) 9.776 20.768 ( -1.812 0.000 -1.449) 2.320 21.212 ( 0.757 0.000 -5.088) 5.144 21.424 ( -5.710 0.000 -9.570) 11.144 ======================= Grid point 229 (80/120) ======================= q-point: ( 0.44 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 3.935 0.000 3.715) 5.412 2.115 ( -3.050 0.000 4.615) 5.532 2.670 ( 5.611 0.000 20.994) 21.731 2.773 ( -4.778 0.000 22.284) 22.791 4.057 ( 1.078 0.000 -3.837) 3.986 4.083 ( -1.311 0.000 -3.752) 3.975 4.385 ( 4.820 0.000 3.029) 5.693 4.485 ( -4.797 0.000 -1.329) 4.978 5.014 ( 12.820 0.000 -0.883) 12.850 5.269 ( -11.568 0.000 11.308) 16.177 5.395 ( 3.029 0.000 12.672) 13.029 5.450 ( -3.502 0.000 4.210) 5.476 5.631 ( 0.219 0.000 6.545) 6.548 5.639 ( -1.384 0.000 4.139) 4.365 5.720 ( 1.092 0.000 8.027) 8.101 5.741 ( -0.905 0.000 7.603) 7.657 6.193 ( 13.141 0.000 12.050) 17.829 6.446 ( -12.034 0.000 18.466) 22.041 6.540 ( 4.989 0.000 2.567) 5.611 6.618 ( -3.401 0.000 -2.507) 4.225 6.798 ( 8.085 0.000 10.313) 13.104 6.940 ( -6.243 0.000 8.630) 10.651 7.874 ( 11.078 0.000 0.776) 11.105 8.097 ( -11.551 0.000 0.535) 11.564 8.339 ( 2.795 0.000 -20.103) 20.296 8.417 ( -4.934 0.000 -20.054) 20.652 9.875 ( 3.976 0.000 12.594) 13.207 9.965 ( -5.108 0.000 12.202) 13.228 10.290 ( 0.912 0.000 3.400) 3.520 10.304 ( -0.494 0.000 3.188) 3.226 10.604 ( 5.540 0.000 7.655) 9.449 10.698 ( -3.913 0.000 7.927) 8.840 13.269 ( 4.609 0.000 0.449) 4.631 13.287 ( 2.621 0.000 1.347) 2.947 14.365 ( 33.348 0.000 1.120) 33.367 15.060 ( -36.483 0.000 -2.021) 36.538 15.300 ( 0.055 0.000 -8.624) 8.625 15.367 ( -6.153 0.000 -10.092) 11.820 20.592 ( 7.393 0.000 -4.295) 8.550 20.709 ( -4.450 0.000 -2.539) 5.123 21.243 ( 2.556 0.000 -5.486) 6.052 21.316 ( -4.916 0.000 -7.574) 9.029 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 0.000 7.507 14.571) 16.391 2.193 ( 0.000 -2.625 14.644) 14.877 2.414 ( 0.000 1.379 23.611) 23.652 2.860 ( 0.000 -8.164 27.366) 28.558 4.069 ( 0.000 6.172 -10.086) 11.825 4.123 ( 0.000 -0.094 -5.254) 5.255 4.399 ( 0.000 -6.933 -1.116) 7.022 4.479 ( 0.000 1.135 5.402) 5.520 4.875 ( 0.000 3.114 -3.902) 4.992 4.895 ( 0.000 -3.018 3.667) 4.749 5.233 ( 0.000 5.400 21.754) 22.414 5.383 ( 0.000 0.664 9.156) 9.180 5.434 ( 0.000 -1.215 9.112) 9.192 5.708 ( 0.000 -4.118 -3.496) 5.402 5.817 ( 0.000 -3.064 1.506) 3.414 5.837 ( 0.000 -1.263 -17.919) 17.964 6.165 ( 0.000 3.452 13.483) 13.918 6.310 ( 0.000 0.951 15.348) 15.377 6.374 ( 0.000 2.524 13.161) 13.401 6.614 ( 0.000 -0.908 17.718) 17.742 6.981 ( 0.000 -5.150 4.271) 6.690 7.041 ( 0.000 -1.738 -3.921) 4.289 7.498 ( 0.000 12.098 2.265) 12.309 8.280 ( 0.000 -9.568 -11.059) 14.624 8.742 ( 0.000 3.822 -6.949) 7.931 8.775 ( 0.000 1.602 -17.690) 17.763 9.895 ( 0.000 -0.407 12.773) 12.779 10.030 ( 0.000 -5.311 11.888) 13.020 10.192 ( 0.000 -2.271 11.902) 12.117 10.226 ( 0.000 -2.678 10.638) 10.970 10.409 ( 0.000 6.438 9.966) 11.864 10.657 ( 0.000 -1.345 7.047) 7.174 12.570 ( 0.000 0.890 -7.790) 7.841 12.748 ( 0.000 -6.412 -0.565) 6.437 13.573 ( 0.000 32.495 -1.661) 32.537 15.482 ( 0.000 -3.370 6.176) 7.035 15.863 ( 0.000 -0.663 -5.623) 5.662 16.644 ( 0.000 -33.769 -16.486) 37.579 20.406 ( 0.000 22.395 -7.867) 23.737 20.841 ( 0.000 3.608 -3.887) 5.304 21.170 ( 0.000 -3.826 -7.375) 8.308 21.532 ( 0.000 -7.399 -10.184) 12.588 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.11 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 1.857 5.244 13.123) 14.254 2.171 ( -2.041 -4.025 13.707) 14.431 2.452 ( 3.630 2.967 22.616) 23.096 2.868 ( 0.739 -6.495 26.953) 27.734 4.063 ( -0.765 3.460 -5.589) 6.617 4.123 ( 0.355 3.033 -6.608) 7.280 4.396 ( -1.299 -6.291 1.391) 6.572 4.470 ( -0.071 -0.482 0.216) 0.533 4.756 ( -3.489 3.364 -0.946) 4.938 5.078 ( 9.503 -5.031 0.228) 10.755 5.245 ( 1.679 4.393 19.932) 20.479 5.378 ( 0.044 0.888 9.677) 9.718 5.473 ( 3.230 -0.543 9.889) 10.417 5.718 ( 1.290 -3.620 -0.882) 3.943 5.807 ( -0.515 -2.095 2.028) 2.961 5.876 ( 2.695 1.993 -15.284) 15.647 6.189 ( -1.302 1.730 11.698) 11.896 6.237 ( -2.630 1.678 14.087) 14.428 6.375 ( -0.330 0.269 13.236) 13.242 6.625 ( 1.094 -0.430 16.822) 16.863 6.960 ( -2.282 -4.002 4.182) 6.221 7.052 ( 0.788 -1.738 -1.287) 2.301 7.517 ( 2.074 10.961 1.581) 11.267 8.261 ( -1.719 -9.347 -11.209) 14.696 8.692 ( -4.852 3.541 -7.274) 9.433 8.741 ( -3.508 1.449 -17.333) 17.743 9.854 ( -2.646 0.566 13.235) 13.509 10.070 ( 2.296 -6.879 11.603) 13.683 10.198 ( 1.085 -1.978 10.566) 10.804 10.253 ( 2.150 -1.546 9.829) 10.179 10.406 ( 0.294 7.089 9.436) 11.805 10.685 ( 2.409 -1.668 7.486) 8.039 12.653 ( 8.232 0.552 -7.479) 11.136 12.801 ( 5.553 -5.984 -0.764) 8.199 13.602 ( 2.923 30.678 -0.648) 30.823 15.458 ( -2.429 -3.173 4.785) 6.235 15.812 ( -5.148 -0.978 -5.814) 7.827 16.514 ( -13.070 -31.229 -15.203) 37.111 20.422 ( 1.667 20.780 -7.640) 22.203 20.837 ( -0.350 3.559 -3.289) 4.859 21.170 ( -0.052 -3.688 -6.869) 7.797 21.513 ( -1.986 -7.333 -10.373) 12.858 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.22 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 2.559 0.129 9.758) 10.089 2.121 ( -2.958 -6.549 10.875) 13.034 2.545 ( 5.572 5.804 21.134) 22.614 2.883 ( 0.615 -2.485 25.564) 25.692 4.045 ( -0.804 0.783 -1.972) 2.269 4.135 ( 0.389 4.772 -4.756) 6.749 4.347 ( -2.432 -2.447 4.977) 6.056 4.486 ( 1.152 -3.877 -6.270) 7.461 4.753 ( 2.893 4.576 -3.800) 6.615 5.203 ( 3.372 -6.223 8.822) 11.310 5.333 ( 6.802 -1.938 8.735) 11.239 5.388 ( 0.888 0.704 10.215) 10.278 5.542 ( 3.513 0.607 11.198) 11.752 5.754 ( 1.530 -2.725 9.677) 10.169 5.808 ( 0.650 2.959 -0.275) 3.042 5.907 ( 0.782 4.661 -6.225) 7.816 6.014 ( -11.675 1.865 8.887) 14.791 6.316 ( 6.242 2.052 9.531) 11.577 6.399 ( 3.504 -5.224 9.118) 11.078 6.646 ( 0.729 -0.282 18.241) 18.257 6.888 ( -5.038 -0.315 2.723) 5.735 7.056 ( -0.656 -1.818 2.959) 3.534 7.588 ( 5.286 7.989 0.592) 9.597 8.223 ( -1.960 -8.748 -11.187) 14.336 8.562 ( -8.176 3.301 -7.125) 11.336 8.644 ( -6.164 0.496 -17.902) 18.940 9.823 ( -0.323 1.793 13.321) 13.445 10.087 ( -0.565 -5.863 11.910) 13.287 10.223 ( 1.192 -0.983 8.048) 8.195 10.302 ( 2.668 -0.078 6.862) 7.363 10.439 ( 3.079 6.028 8.536) 10.894 10.727 ( 1.326 -2.144 8.024) 8.411 12.863 ( 12.026 -0.349 -4.543) 12.860 12.975 ( 12.591 -3.755 -3.517) 13.602 13.688 ( 6.076 24.289 2.740) 25.187 15.393 ( -3.906 -3.110 0.618) 5.031 15.665 ( -9.940 -2.552 -5.885) 11.830 16.156 ( -22.518 -23.112 -12.066) 34.450 20.474 ( 3.712 16.647 -7.151) 18.494 20.828 ( -0.623 3.534 -2.234) 4.227 21.169 ( 0.069 -3.451 -5.634) 6.607 21.454 ( -4.016 -6.968 -10.416) 13.159 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.33 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 2.519 -4.768 6.517) 8.459 2.060 ( -3.215 -8.464 7.623) 11.836 2.660 ( 5.986 7.602 20.298) 22.486 2.884 ( -0.777 1.942 23.437) 23.531 4.039 ( 0.329 0.184 -1.220) 1.277 4.124 ( -1.474 1.693 -2.613) 3.445 4.334 ( 1.279 0.820 4.194) 4.460 4.495 ( -0.648 -4.085 -6.599) 7.788 4.862 ( 8.170 4.926 -4.595) 10.589 5.259 ( 2.815 -4.955 12.769) 13.983 5.384 ( -1.059 -0.797 13.525) 13.590 5.464 ( 5.296 -6.676 0.301) 8.527 5.590 ( -0.397 2.989 10.807) 11.219 5.758 ( -6.233 0.853 11.235) 12.876 5.766 ( -1.687 0.560 9.096) 9.268 5.784 ( -6.218 3.238 0.078) 7.011 6.013 ( 8.904 4.826 5.263) 11.413 6.442 ( 5.964 1.876 5.905) 8.600 6.487 ( 3.658 -7.267 9.962) 12.862 6.638 ( -1.950 -2.173 13.977) 14.279 6.792 ( -3.090 4.834 2.630) 6.311 7.019 ( -3.271 -1.685 6.266) 7.267 7.721 ( 8.237 4.887 0.268) 9.581 8.190 ( -1.803 -7.317 -7.991) 10.984 8.391 ( -8.390 2.815 -10.451) 13.694 8.513 ( -6.867 -1.096 -18.517) 19.780 9.841 ( 2.109 2.424 12.957) 13.349 10.050 ( -3.074 -1.918 12.272) 12.796 10.254 ( 2.139 0.333 5.351) 5.772 10.341 ( 1.056 1.317 3.802) 4.160 10.516 ( 4.464 2.832 7.749) 9.380 10.728 ( -1.258 -2.192 8.082) 8.467 13.094 ( 11.473 0.230 -0.251) 11.478 13.251 ( 12.789 2.471 -7.024) 14.799 13.865 ( 13.518 9.546 7.253) 18.068 15.295 ( -10.059 -12.840 -6.677) 17.625 15.414 ( -13.258 -1.429 -1.925) 13.473 15.715 ( -19.150 -5.220 -10.662) 22.531 20.565 ( 5.376 11.664 -6.524) 14.405 20.809 ( -1.490 3.800 -2.012) 4.551 21.176 ( 0.691 -3.410 -4.576) 5.749 21.361 ( -5.143 -6.073 -9.416) 12.329 ======================= Grid point 238 (85/120) ======================= q-point: ( 0.44 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 2.634 -7.845 4.925) 9.630 1.999 ( -3.002 -8.999 5.395) 10.914 2.769 ( 4.960 7.445 20.370) 22.248 2.848 ( -2.948 5.444 21.472) 22.346 4.056 ( 1.333 0.080 -1.162) 1.770 4.089 ( -1.892 0.204 -1.443) 2.388 4.386 ( 3.580 0.205 -0.380) 3.606 4.456 ( -3.140 -2.208 -4.408) 5.845 5.062 ( 11.765 4.058 1.826) 12.578 5.270 ( -6.291 -1.128 15.465) 16.734 5.355 ( 1.642 -1.681 7.697) 8.047 5.447 ( -7.341 -0.337 0.222) 7.352 5.577 ( 4.713 -2.984 5.042) 7.519 5.678 ( -5.367 0.010 3.276) 6.287 5.722 ( 1.752 1.183 10.812) 11.017 5.754 ( -1.161 1.106 10.211) 10.336 6.220 ( 11.308 2.419 14.345) 18.425 6.425 ( -8.584 -2.090 21.053) 22.832 6.550 ( 3.969 0.728 0.543) 4.072 6.604 ( -1.509 -0.845 -6.314) 6.546 6.818 ( 4.965 1.641 10.895) 12.085 6.930 ( -5.603 -1.011 8.941) 10.599 7.901 ( 9.917 2.545 0.460) 10.249 8.092 ( -8.751 -0.707 0.607) 8.801 8.312 ( 1.172 -2.091 -19.318) 19.467 8.388 ( -5.654 -2.629 -19.098) 20.091 9.899 ( 3.685 2.238 12.588) 13.306 9.978 ( -4.101 0.950 12.399) 13.094 10.302 ( 2.460 1.630 3.215) 4.364 10.340 ( -1.172 2.219 2.514) 3.552 10.604 ( 4.383 0.149 7.424) 8.622 10.681 ( -3.346 -1.489 7.715) 8.540 13.295 ( 8.280 3.837 0.551) 9.142 13.383 ( 0.322 7.264 -2.797) 7.791 14.260 ( 26.196 -8.320 5.200) 27.973 14.827 ( -30.008 -18.376 -0.176) 35.188 15.350 ( 2.129 4.719 -8.382) 9.852 15.456 ( -8.708 4.256 -11.226) 14.831 20.673 ( 5.378 7.436 -5.314) 10.605 20.762 ( -3.472 4.861 -3.338) 6.843 21.202 ( 2.198 -3.815 -4.943) 6.620 21.266 ( -4.289 -4.819 -7.125) 9.611 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.000 8.989 14.445) 17.013 2.111 ( 0.000 -5.529 14.245) 15.280 2.482 ( 0.000 5.832 24.857) 25.532 2.656 ( 0.000 -10.464 26.520) 28.510 4.151 ( 0.000 3.160 -2.795) 4.218 4.236 ( 0.000 7.684 -4.706) 9.010 4.256 ( 0.000 -4.510 -4.932) 6.683 4.424 ( 0.000 -7.009 -3.445) 7.810 4.874 ( 0.000 1.362 3.403) 3.666 4.906 ( 0.000 -0.471 -0.327) 0.573 5.376 ( 0.000 6.647 18.304) 19.474 5.402 ( 0.000 2.561 9.968) 10.292 5.410 ( 0.000 -0.992 9.187) 9.241 5.567 ( 0.000 -8.758 12.974) 15.654 5.789 ( 0.000 0.129 -11.069) 11.070 5.807 ( 0.000 -1.421 -14.923) 14.991 6.251 ( 0.000 4.249 15.911) 16.469 6.311 ( 0.000 -1.299 16.547) 16.598 6.444 ( 0.000 4.259 13.168) 13.839 6.546 ( 0.000 -5.206 15.974) 16.801 6.945 ( 0.000 1.242 -1.091) 1.653 6.993 ( 0.000 -2.743 -2.969) 4.042 7.768 ( 0.000 13.721 -0.643) 13.736 8.044 ( 0.000 -12.935 -5.232) 13.952 8.802 ( 0.000 1.654 -12.817) 12.923 8.807 ( 0.000 1.033 -16.204) 16.237 9.896 ( 0.000 0.786 12.797) 12.821 9.937 ( 0.000 -3.341 12.497) 12.936 10.156 ( 0.000 -0.638 11.796) 11.813 10.173 ( 0.000 -2.103 11.415) 11.607 10.529 ( 0.000 5.075 8.872) 10.221 10.612 ( 0.000 -3.056 7.812) 8.388 12.599 ( 0.000 1.930 -4.303) 4.716 12.652 ( 0.000 -3.370 -1.083) 3.539 14.378 ( 0.000 43.990 -4.487) 44.219 15.208 ( 0.000 -29.738 -2.540) 29.846 15.858 ( 0.000 1.034 -2.994) 3.168 16.006 ( 0.000 -18.895 -5.051) 19.558 20.893 ( 0.000 21.867 -9.578) 23.873 20.944 ( 0.000 7.053 -6.251) 9.425 21.066 ( 0.000 -6.052 -5.870) 8.431 21.298 ( 0.000 -15.581 -11.532) 19.384 ======================= Grid point 244 (87/120) ======================= q-point: ( 0.11 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -2.696 6.980 13.261) 15.226 2.066 ( -4.031 -6.046 13.315) 15.169 2.546 ( 5.810 6.304 24.021) 25.505 2.704 ( 4.406 -8.645 25.988) 27.740 4.129 ( -1.885 3.993 -1.938) 4.822 4.229 ( -1.618 -1.560 -0.421) 2.286 4.276 ( 2.335 3.119 -7.036) 8.043 4.419 ( -0.253 -5.620 -3.535) 6.644 4.838 ( -1.059 5.011 0.117) 5.123 4.956 ( 3.080 -6.239 -1.110) 7.046 5.348 ( -1.188 4.364 14.148) 14.853 5.390 ( -0.345 -0.187 10.255) 10.263 5.486 ( 4.930 2.824 13.293) 14.457 5.600 ( 3.144 -7.014 13.957) 15.934 5.818 ( 3.319 2.487 -8.688) 9.628 5.872 ( 5.376 -2.064 -11.575) 12.928 6.236 ( -5.091 2.138 11.715) 12.951 6.258 ( -1.752 0.029 13.416) 13.530 6.424 ( -1.572 4.768 14.102) 14.969 6.548 ( 0.570 -6.296 16.650) 17.809 6.946 ( -0.068 2.106 0.027) 2.107 7.004 ( 0.727 -2.883 -0.594) 3.032 7.768 ( 0.229 13.031 -1.105) 13.080 8.033 ( -0.988 -12.469 -5.496) 13.662 8.750 ( -4.969 1.905 -13.053) 14.096 8.766 ( -4.326 0.450 -15.510) 16.108 9.881 ( -0.816 2.256 12.925) 13.146 9.951 ( 0.978 -4.650 12.413) 13.291 10.176 ( 2.083 0.218 10.555) 10.761 10.207 ( 2.964 -2.424 10.188) 10.884 10.538 ( 0.881 5.605 8.745) 10.424 10.632 ( 1.681 -3.584 8.022) 8.945 12.672 ( 7.365 1.357 -4.090) 8.533 12.713 ( 6.388 -2.881 -1.202) 7.110 14.368 ( -1.140 42.187 -3.718) 42.366 15.178 ( -3.236 -30.102 -3.153) 30.439 15.802 ( -5.649 0.981 -2.915) 6.432 15.934 ( -6.864 -16.438 -5.106) 18.531 20.879 ( -1.345 20.651 -9.998) 22.984 20.935 ( -0.695 5.729 -4.669) 7.423 21.074 ( 0.625 -4.619 -5.802) 7.443 21.283 ( -1.457 -15.030 -11.295) 18.857 ======================= Grid point 245 (88/120) ======================= q-point: ( 0.22 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -2.807 3.165 10.414) 11.241 1.977 ( -4.672 -6.674 10.610) 13.377 2.679 ( 7.212 6.765 22.578) 24.649 2.804 ( 5.274 -5.173 24.446) 25.538 4.091 ( -1.791 3.708 0.348) 4.132 4.177 ( -3.210 -3.112 1.074) 4.598 4.329 ( 2.642 3.618 -3.900) 5.940 4.420 ( 0.307 -3.717 -6.100) 7.150 4.862 ( 3.695 6.515 -2.647) 7.944 5.026 ( 4.375 -9.274 -1.349) 10.342 5.340 ( 0.365 1.750 10.961) 11.105 5.380 ( -0.643 -1.590 10.410) 10.550 5.585 ( 4.948 3.533 13.906) 15.177 5.672 ( 3.746 -4.538 14.237) 15.405 5.893 ( 2.192 4.091 1.593) 4.907 5.947 ( -0.826 -0.813 1.266) 1.717 6.101 ( -5.113 6.163 2.017) 8.258 6.240 ( 1.177 -6.969 3.876) 8.060 6.431 ( 2.480 5.780 13.199) 14.621 6.563 ( 0.673 -6.459 16.890) 18.095 6.933 ( -1.457 3.704 2.334) 4.614 7.006 ( -0.777 -3.118 3.321) 4.621 7.787 ( 2.007 10.911 -1.915) 11.258 8.016 ( -0.469 -11.035 -5.874) 12.510 8.618 ( -8.318 2.054 -12.180) 14.892 8.645 ( -7.662 -0.581 -15.565) 17.359 9.879 ( 0.778 3.729 12.820) 13.374 9.972 ( 1.163 -5.200 12.335) 13.437 10.229 ( 3.106 1.602 7.757) 8.508 10.275 ( 3.720 -2.299 7.186) 8.412 10.560 ( 1.318 5.618 8.361) 10.159 10.662 ( 1.017 -4.145 8.182) 9.228 12.870 ( 12.224 1.098 -2.155) 12.461 12.909 ( 13.728 -2.645 -3.064) 14.312 14.325 ( -3.485 36.281 -0.714) 36.455 15.065 ( -8.983 -31.392 -3.673) 32.858 15.650 ( -9.148 2.561 -2.751) 9.890 15.770 ( -8.941 -10.424 -6.680) 15.272 20.851 ( -1.219 16.971 -9.591) 19.532 20.921 ( -0.734 4.929 -3.535) 6.110 21.084 ( 0.426 -3.385 -4.786) 5.878 21.242 ( -2.652 -13.269 -10.284) 16.996 ======================= Grid point 246 (89/120) ======================= q-point: ( 0.33 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -1.592 -0.444 7.438) 7.620 1.893 ( -3.714 -6.479 7.635) 10.680 2.811 ( 5.925 6.199 21.259) 22.923 2.893 ( 3.437 -1.629 22.485) 22.804 4.066 ( -0.703 2.303 2.182) 3.249 4.119 ( -2.512 -2.191 2.414) 4.115 4.370 ( 1.588 2.577 -3.878) 4.920 4.425 ( 0.071 -2.788 -8.645) 9.084 4.979 ( 7.989 6.581 -0.591) 10.368 5.128 ( 5.695 -7.550 4.656) 10.541 5.354 ( 0.097 -0.646 9.326) 9.349 5.375 ( 1.284 -2.463 5.391) 6.065 5.664 ( 1.782 3.786 12.643) 13.318 5.731 ( 1.703 -2.578 12.298) 12.680 5.799 ( -9.320 1.926 8.726) 12.912 5.822 ( -7.790 0.121 4.431) 8.963 6.149 ( 6.877 7.990 6.296) 12.279 6.322 ( 4.974 -8.571 7.598) 12.487 6.498 ( 3.910 3.411 6.246) 8.121 6.573 ( 0.555 -3.701 9.042) 9.786 6.891 ( -2.523 4.483 5.707) 7.683 6.969 ( -2.921 -3.133 6.507) 7.791 7.854 ( 4.913 7.748 -1.952) 9.379 8.024 ( 1.435 -8.531 -5.032) 10.008 8.440 ( -9.369 2.125 -12.658) 15.891 8.481 ( -8.674 -1.900 -15.787) 18.113 9.909 ( 2.073 3.952 12.655) 13.419 9.991 ( 0.542 -3.732 12.491) 13.048 10.291 ( 3.075 2.731 4.701) 6.246 10.340 ( 2.570 -1.491 3.912) 4.912 10.587 ( 1.416 3.883 7.618) 8.667 10.666 ( -0.531 -3.634 7.843) 8.660 13.138 ( 14.792 3.728 -1.267) 15.307 13.226 ( 17.518 -3.999 -5.482) 18.786 14.229 ( -5.994 24.914 5.468) 26.202 14.804 ( -17.593 -29.069 -0.303) 33.979 15.496 ( -5.504 5.577 -5.852) 9.780 15.609 ( -7.242 -5.324 -9.565) 13.126 20.839 ( 0.101 12.688 -8.858) 15.475 20.905 ( -0.979 4.603 -4.159) 6.281 21.091 ( 0.384 -3.500 -3.331) 4.847 21.185 ( -2.979 -10.350 -8.028) 13.433 ======================= Grid point 247 (90/120) ======================= q-point: ( 0.44 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.157 -3.315 5.671) 6.571 1.836 ( -2.060 -5.341 5.759) 8.120 2.901 ( 3.163 4.424 20.609) 21.315 2.930 ( 0.248 1.678 21.022) 21.090 4.064 ( 0.444 0.672 2.993) 3.099 4.081 ( -1.377 -0.855 3.053) 3.456 4.397 ( 1.252 0.792 -6.804) 6.964 4.418 ( -0.827 -1.373 -8.640) 8.787 5.147 ( 7.816 3.673 9.681) 12.973 5.215 ( 1.597 -3.281 15.497) 15.920 5.359 ( 2.256 2.158 1.627) 3.520 5.429 ( 1.596 -3.164 -6.022) 6.987 5.551 ( -6.178 2.470 7.667) 10.152 5.632 ( -8.634 -3.904 3.942) 10.263 5.757 ( 1.562 1.634 11.821) 12.035 5.773 ( 0.137 0.259 11.589) 11.593 6.283 ( 6.035 3.635 18.687) 19.971 6.362 ( -1.438 -3.812 21.987) 22.361 6.569 ( 2.878 1.163 -4.836) 5.747 6.591 ( 0.693 -0.757 -7.152) 7.225 6.858 ( -0.028 2.150 10.768) 10.981 6.900 ( -3.661 -1.864 9.767) 10.596 7.971 ( 6.481 4.054 -0.282) 7.650 8.052 ( -0.208 -3.340 -0.151) 3.350 8.289 ( -4.190 0.404 -17.365) 17.868 8.326 ( -6.437 -2.873 -17.268) 18.652 9.953 ( 2.199 2.534 12.683) 13.119 9.986 ( -1.051 -0.505 12.713) 12.766 10.344 ( 2.153 1.987 2.542) 3.879 10.366 ( 0.046 0.072 2.135) 2.137 10.616 ( 1.544 1.092 6.973) 7.225 10.646 ( -1.399 -1.718 7.158) 7.494 13.415 ( 12.157 7.054 -3.623) 14.515 13.502 ( 6.563 1.281 -8.635) 10.921 14.164 ( 3.344 3.137 12.059) 12.901 14.421 ( -19.586 -19.038 6.421) 28.059 15.447 ( 0.266 3.961 -10.182) 10.928 15.494 ( -4.360 -0.435 -11.328) 12.145 20.854 ( 1.255 8.474 -7.936) 11.678 20.881 ( -1.410 5.527 -6.128) 8.372 21.104 ( 0.983 -4.704 -3.007) 5.668 21.134 ( -2.151 -7.090 -4.936) 8.903 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 0.000 0.000 10.625) 10.625 2.483 ( 0.000 0.000 9.884) 9.884 2.854 ( 0.000 0.000 19.867) 19.867 3.454 ( 0.000 0.000 20.280) 20.280 3.748 ( 0.000 0.000 -13.286) 13.286 3.990 ( 0.000 0.000 -5.789) 5.789 4.471 ( 0.000 0.000 -0.976) 0.976 4.572 ( 0.000 0.000 2.459) 2.459 4.719 ( 0.000 0.000 -4.250) 4.250 5.015 ( 0.000 0.000 3.154) 3.154 5.475 ( 0.000 0.000 -15.553) 15.553 5.496 ( 0.000 0.000 -8.757) 8.757 5.521 ( 0.000 0.000 4.670) 4.670 5.535 ( 0.000 0.000 12.376) 12.376 5.599 ( 0.000 0.000 5.174) 5.174 6.030 ( 0.000 0.000 5.686) 5.686 6.396 ( 0.000 0.000 12.126) 12.126 6.510 ( 0.000 0.000 6.106) 6.106 6.547 ( 0.000 0.000 6.136) 6.136 6.855 ( 0.000 0.000 7.061) 7.061 6.994 ( 0.000 0.000 -2.104) 2.104 7.362 ( 0.000 0.000 1.146) 1.146 7.399 ( 0.000 0.000 19.188) 19.188 8.073 ( 0.000 0.000 -13.345) 13.345 8.360 ( 0.000 0.000 -19.823) 19.823 8.669 ( 0.000 0.000 -0.646) 0.646 10.137 ( 0.000 0.000 9.055) 9.055 10.287 ( 0.000 0.000 6.159) 6.159 10.400 ( 0.000 0.000 5.660) 5.660 10.407 ( 0.000 0.000 4.029) 4.029 10.504 ( 0.000 0.000 7.246) 7.246 10.764 ( 0.000 0.000 2.680) 2.680 12.406 ( 0.000 0.000 -5.524) 5.524 12.812 ( 0.000 0.000 -2.027) 2.027 13.194 ( 0.000 0.000 0.252) 0.252 15.729 ( 0.000 0.000 12.859) 12.859 15.761 ( 0.000 0.000 -3.788) 3.788 16.609 ( 0.000 0.000 -19.963) 19.963 20.061 ( 0.000 0.000 -2.577) 2.577 20.743 ( 0.000 0.000 -2.098) 2.098 21.077 ( 0.000 0.000 -4.749) 4.749 21.456 ( 0.000 0.000 -5.066) 5.066 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 1.109 0.000 9.126) 9.193 2.457 ( -2.617 0.000 8.959) 9.333 2.863 ( 1.006 0.000 19.717) 19.742 3.436 ( -1.870 0.000 19.962) 20.050 3.795 ( 4.554 0.000 -12.370) 13.181 3.979 ( -0.892 0.000 -5.251) 5.326 4.487 ( 1.344 0.000 -1.486) 2.004 4.527 ( -4.176 0.000 2.051) 4.653 4.622 ( -5.998 0.000 -3.531) 6.960 5.179 ( 12.784 0.000 2.020) 12.943 5.467 ( -0.590 0.000 -13.710) 13.723 5.516 ( -0.016 0.000 4.015) 4.015 5.532 ( 3.037 0.000 2.886) 4.190 5.579 ( 4.738 0.000 1.646) 5.016 5.643 ( 3.763 0.000 5.063) 6.309 6.013 ( -1.606 0.000 5.649) 5.873 6.423 ( -8.882 0.000 6.246) 10.858 6.441 ( 4.438 0.000 12.682) 13.436 6.582 ( 3.567 0.000 6.316) 7.253 6.784 ( -3.995 0.000 3.065) 5.035 7.075 ( 5.004 0.000 1.538) 5.235 7.358 ( -4.114 0.000 19.694) 20.119 7.404 ( 4.275 0.000 1.153) 4.427 8.043 ( -2.901 0.000 -13.992) 14.290 8.325 ( -3.522 0.000 -19.916) 20.225 8.627 ( -4.259 0.000 -0.519) 4.291 10.088 ( -3.178 0.000 8.987) 9.533 10.360 ( 5.043 0.000 5.970) 7.815 10.388 ( -1.143 0.000 4.992) 5.121 10.405 ( 0.286 0.000 3.361) 3.373 10.459 ( -3.960 0.000 6.918) 7.971 10.808 ( 3.518 0.000 3.199) 4.755 12.496 ( 8.978 0.000 -5.393) 10.474 12.858 ( 4.708 0.000 -1.843) 5.056 13.263 ( 7.132 0.000 0.677) 7.164 15.675 ( -5.407 0.000 11.651) 12.844 15.707 ( -5.403 0.000 -4.025) 6.738 16.480 ( -12.997 0.000 -18.637) 22.722 20.097 ( 3.644 0.000 -2.651) 4.506 20.750 ( 0.581 0.000 -1.752) 1.846 21.085 ( 0.775 0.000 -4.392) 4.460 21.432 ( -2.482 0.000 -5.229) 5.788 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 1.565 0.000 5.710) 5.921 2.385 ( -4.591 0.000 6.658) 8.088 2.899 ( 2.896 0.000 19.262) 19.479 3.383 ( -3.503 0.000 19.170) 19.487 3.904 ( 5.665 0.000 -10.009) 11.501 3.963 ( -0.578 0.000 -4.353) 4.391 4.434 ( -4.550 0.000 -0.063) 4.550 4.506 ( 0.180 0.000 -2.548) 2.554 4.564 ( 1.000 0.000 -2.566) 2.754 5.423 ( 10.505 0.000 1.294) 10.585 5.458 ( -0.370 0.000 -11.559) 11.565 5.527 ( 1.229 0.000 4.325) 4.496 5.604 ( 4.258 0.000 10.611) 11.434 5.716 ( 9.471 0.000 -4.221) 10.369 5.725 ( 4.246 0.000 5.586) 7.017 5.973 ( -2.210 0.000 5.495) 5.923 6.185 ( -14.448 0.000 5.838) 15.583 6.559 ( 7.367 0.000 14.570) 16.327 6.683 ( 6.569 0.000 6.702) 9.384 6.723 ( -2.823 0.000 0.943) 2.976 7.142 ( 1.266 0.000 3.715) 3.925 7.252 ( -6.041 0.000 20.868) 21.724 7.522 ( 7.559 0.000 1.143) 7.645 7.972 ( -3.932 0.000 -16.024) 16.499 8.230 ( -5.977 0.000 -20.439) 21.295 8.506 ( -7.979 0.000 -0.154) 7.980 10.044 ( -1.128 0.000 9.013) 9.083 10.359 ( -1.779 0.000 3.583) 4.000 10.370 ( -4.830 0.000 6.529) 8.121 10.374 ( -1.256 0.000 1.923) 2.296 10.495 ( 6.399 0.000 5.113) 8.190 10.868 ( 2.077 0.000 3.775) 4.309 12.738 ( 15.074 0.000 -4.720) 15.796 12.993 ( 8.866 0.000 -1.089) 8.932 13.476 ( 14.744 0.000 1.538) 14.824 15.527 ( -9.394 0.000 8.080) 12.391 15.559 ( -9.415 0.000 -4.742) 10.542 16.117 ( -23.539 0.000 -15.029) 27.928 20.200 ( 6.666 0.000 -2.812) 7.235 20.760 ( 0.168 0.000 -1.063) 1.076 21.105 ( 1.247 0.000 -3.539) 3.752 21.363 ( -4.309 0.000 -5.420) 6.924 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 2.206 0.000 2.621) 3.426 2.285 ( -5.423 0.000 4.001) 6.739 2.976 ( 4.870 0.000 18.530) 19.159 3.301 ( -4.809 0.000 18.291) 18.912 3.960 ( 0.274 0.000 -3.962) 3.972 3.982 ( 1.953 0.000 -7.247) 7.505 4.373 ( -1.444 0.000 -1.495) 2.079 4.486 ( -2.168 0.000 -3.360) 3.999 4.680 ( 10.716 0.000 -2.546) 11.015 5.434 ( -3.367 0.000 -9.934) 10.489 5.559 ( 3.996 0.000 3.282) 5.171 5.561 ( 2.081 0.000 5.969) 6.321 5.679 ( 2.693 0.000 6.223) 6.781 5.789 ( 0.814 0.000 7.256) 7.302 5.911 ( -10.831 0.000 4.235) 11.630 5.912 ( 1.605 0.000 4.788) 5.050 5.977 ( 10.920 0.000 -0.619) 10.938 6.649 ( -5.402 0.000 -1.174) 5.528 6.714 ( 8.024 0.000 18.134) 19.830 6.828 ( 7.948 0.000 6.862) 10.500 7.087 ( -6.045 0.000 19.128) 20.061 7.173 ( -2.472 0.000 9.249) 9.574 7.691 ( 9.488 0.000 0.908) 9.531 7.908 ( -2.056 0.000 -19.150) 19.260 8.101 ( -6.908 0.000 -21.622) 22.699 8.324 ( -10.331 0.000 0.277) 10.335 10.046 ( 1.338 0.000 8.729) 8.831 10.270 ( -5.115 0.000 7.158) 8.798 10.329 ( -1.321 0.000 1.179) 1.771 10.345 ( -1.547 0.000 0.052) 1.548 10.618 ( 6.150 0.000 4.808) 7.806 10.877 ( -1.172 0.000 4.152) 4.314 13.046 ( 15.192 0.000 -2.515) 15.398 13.183 ( 9.674 0.000 0.491) 9.687 13.842 ( 22.749 0.000 1.268) 22.784 15.328 ( -10.358 0.000 2.114) 10.572 15.360 ( -10.135 0.000 -5.731) 11.643 15.588 ( -29.574 0.000 -9.675) 31.116 20.350 ( 8.480 0.000 -2.887) 8.958 20.744 ( -2.184 0.000 -0.887) 2.358 21.131 ( 1.384 0.000 -2.739) 3.069 21.274 ( -4.441 0.000 -4.955) 6.654 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 3.587 0.000 1.322) 3.823 2.181 ( -4.965 0.000 1.961) 5.338 3.083 ( 5.840 0.000 17.878) 18.807 3.197 ( -5.690 0.000 17.766) 18.655 3.972 ( 0.902 0.000 -4.314) 4.407 3.990 ( -0.634 0.000 -5.363) 5.401 4.378 ( 1.814 0.000 -2.537) 3.118 4.431 ( -3.167 0.000 -3.323) 4.591 4.953 ( 16.180 0.000 -2.830) 16.426 5.264 ( -14.016 0.000 -5.275) 14.976 5.599 ( 1.469 0.000 7.453) 7.596 5.605 ( 0.998 0.000 5.969) 6.052 5.701 ( -0.042 0.000 2.474) 2.475 5.714 ( -2.725 0.000 2.649) 3.801 5.872 ( 1.363 0.000 5.386) 5.556 5.894 ( -1.047 0.000 5.991) 6.082 6.252 ( 14.033 0.000 -1.240) 14.088 6.495 ( -10.402 0.000 -1.972) 10.588 6.858 ( 6.482 0.000 22.384) 23.304 6.971 ( -5.522 0.000 23.972) 24.600 6.980 ( 7.267 0.000 6.529) 9.769 7.102 ( -5.003 0.000 6.538) 8.233 7.873 ( 6.905 0.000 -9.441) 11.697 7.922 ( 5.727 0.000 -12.003) 13.300 7.973 ( -5.805 0.000 -22.542) 23.278 8.113 ( -10.949 0.000 0.289) 10.953 10.093 ( 3.381 0.000 8.191) 8.861 10.173 ( -4.666 0.000 7.602) 8.920 10.313 ( -0.253 0.000 -0.328) 0.414 10.320 ( -0.931 0.000 -0.783) 1.216 10.733 ( 5.444 0.000 4.567) 7.107 10.826 ( -3.907 0.000 4.383) 5.872 13.282 ( 7.843 0.000 0.910) 7.895 13.325 ( 3.436 0.000 2.040) 3.996 14.355 ( 29.238 0.000 -1.525) 29.277 14.956 ( -31.100 0.000 -6.258) 31.724 15.197 ( -5.172 0.000 -2.179) 5.612 15.201 ( -5.048 0.000 -5.748) 7.650 20.519 ( 8.444 0.000 -2.594) 8.834 20.664 ( -5.984 0.000 -1.712) 6.224 21.160 ( 1.647 0.000 -2.641) 3.112 21.202 ( -2.849 0.000 -3.625) 4.611 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.000 6.678 9.867) 11.915 2.448 ( 0.000 -3.320 9.453) 10.019 2.875 ( 0.000 2.398 20.460) 20.600 3.366 ( 0.000 -8.075 20.633) 22.157 3.830 ( 0.000 7.745 -12.601) 14.791 4.008 ( 0.000 1.827 -5.228) 5.538 4.370 ( 0.000 -7.466 -1.357) 7.588 4.525 ( 0.000 -5.291 0.014) 5.291 4.795 ( 0.000 4.959 -3.472) 6.054 4.957 ( 0.000 -3.976 1.527) 4.259 5.484 ( 0.000 -0.861 -7.653) 7.701 5.487 ( 0.000 0.704 -11.112) 11.134 5.524 ( 0.000 0.690 4.959) 5.007 5.595 ( 0.000 -0.454 4.167) 4.192 5.596 ( 0.000 5.046 9.508) 10.764 5.979 ( 0.000 -4.643 6.396) 7.903 6.455 ( 0.000 5.519 13.092) 14.208 6.542 ( 0.000 2.725 6.931) 7.447 6.574 ( 0.000 2.464 6.325) 6.788 6.861 ( 0.000 0.327 6.495) 6.503 6.981 ( 0.000 -1.255 -2.010) 2.370 7.152 ( 0.000 -11.374 10.170) 15.258 7.581 ( 0.000 8.965 6.501) 11.074 8.028 ( 0.000 -4.256 -11.783) 12.528 8.400 ( 0.000 3.640 -17.884) 18.251 8.649 ( 0.000 -1.931 -2.535) 3.186 10.130 ( 0.000 -0.519 8.989) 9.004 10.226 ( 0.000 -4.309 6.886) 8.124 10.369 ( 0.000 -2.400 5.537) 6.035 10.382 ( 0.000 -1.923 4.745) 5.120 10.575 ( 0.000 4.986 5.912) 7.734 10.756 ( 0.000 -0.803 2.912) 3.021 12.440 ( 0.000 3.246 -4.593) 5.624 12.746 ( 0.000 -4.697 0.329) 4.709 13.520 ( 0.000 28.887 -2.812) 29.024 15.663 ( 0.000 -8.573 11.415) 14.276 15.774 ( 0.000 1.249 -2.980) 3.231 16.291 ( 0.000 -25.947 -17.427) 31.257 20.284 ( 0.000 19.150 -4.024) 19.568 20.776 ( 0.000 3.098 -2.266) 3.839 21.045 ( 0.000 -3.030 -4.512) 5.435 21.373 ( 0.000 -8.160 -5.269) 9.714 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -0.831 4.897 8.704) 10.021 2.408 ( -3.873 -4.421 8.758) 10.548 2.900 ( 2.462 3.692 20.025) 20.510 3.365 ( -0.126 -6.476 20.258) 21.268 3.872 ( 3.869 7.088 -11.609) 14.141 4.004 ( -0.157 2.562 -4.967) 5.591 4.366 ( -0.447 -8.129 -1.990) 8.381 4.493 ( -3.143 -3.903 0.415) 5.029 4.708 ( -4.557 5.147 -2.712) 7.390 5.064 ( 6.767 -8.436 -1.927) 10.985 5.490 ( 3.737 1.936 -2.353) 4.822 5.516 ( 0.587 0.528 2.078) 2.223 5.595 ( 2.670 2.787 -0.595) 3.905 5.603 ( 5.764 1.560 -3.121) 6.738 5.655 ( 4.194 2.451 7.302) 8.771 5.970 ( -0.753 -3.869 6.325) 7.452 6.426 ( -8.091 1.233 7.730) 11.257 6.505 ( 3.120 4.433 12.549) 13.670 6.570 ( -2.215 -0.159 5.898) 6.302 6.829 ( 0.148 3.659 3.674) 5.188 7.061 ( 4.801 -1.461 1.749) 5.314 7.159 ( 0.362 -10.999 12.496) 16.651 7.574 ( -0.253 8.511 4.615) 9.685 8.000 ( -2.753 -4.115 -12.523) 13.466 8.363 ( -3.642 3.538 -17.812) 18.522 8.608 ( -4.219 -1.904 -2.294) 5.167 10.090 ( -2.527 0.303 8.859) 9.217 10.268 ( 2.463 -5.699 7.210) 9.515 10.352 ( -0.991 -1.959 4.621) 5.116 10.393 ( 0.410 -1.418 4.083) 4.342 10.562 ( -0.613 6.137 5.437) 8.221 10.795 ( 3.111 -1.285 3.359) 4.755 12.526 ( 8.623 2.850 -4.537) 10.152 12.797 ( 5.291 -4.351 0.305) 6.857 13.566 ( 4.708 27.018 -2.217) 27.514 15.609 ( -5.412 -8.433 9.908) 14.092 15.720 ( -5.358 1.163 -2.932) 6.218 16.186 ( -10.613 -23.979 -16.263) 30.856 20.303 ( 1.950 17.805 -3.937) 18.339 20.782 ( 0.527 3.035 -1.936) 3.638 21.053 ( 0.848 -2.948 -4.162) 5.170 21.350 ( -2.231 -7.911 -5.382) 9.825 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -1.082 0.886 6.033) 6.193 2.309 ( -5.930 -6.482 6.929) 11.189 2.968 ( 4.362 6.030 18.980) 20.387 3.355 ( -1.031 -2.786 19.240) 19.468 3.947 ( 2.626 3.643 -7.429) 8.681 4.017 ( 1.773 5.479 -5.975) 8.299 4.357 ( -0.233 -8.266 -4.017) 9.193 4.419 ( -3.498 -2.594 0.798) 4.427 4.673 ( 1.160 5.696 -3.042) 6.561 5.183 ( 5.700 -12.585 -5.040) 14.706 5.511 ( 0.739 -0.696 5.612) 5.703 5.601 ( 2.438 -1.088 7.845) 8.287 5.659 ( 4.643 8.666 -4.523) 10.822 5.748 ( 5.313 2.690 4.120) 7.241 5.753 ( 9.378 2.926 -3.106) 10.303 5.955 ( -0.706 -1.796 6.134) 6.431 6.201 ( -13.554 1.644 6.215) 15.001 6.534 ( -0.181 -8.080 4.133) 9.078 6.609 ( 6.312 4.677 15.098) 17.019 6.863 ( 2.369 7.183 3.877) 8.499 7.108 ( -1.120 -5.193 10.543) 11.806 7.159 ( 0.203 -5.029 11.491) 12.545 7.599 ( 3.412 5.624 0.297) 6.585 7.934 ( -3.552 -3.607 -14.753) 15.598 8.264 ( -6.213 3.219 -17.738) 19.069 8.488 ( -7.808 -1.726 -1.605) 8.156 10.058 ( -0.580 1.417 8.844) 8.975 10.288 ( -0.314 -5.030 7.147) 8.745 10.334 ( -1.107 -1.243 3.108) 3.525 10.391 ( -0.551 -0.006 2.272) 2.338 10.576 ( 2.272 5.644 4.728) 7.705 10.848 ( 1.760 -1.987 3.854) 4.680 12.762 ( 14.807 2.104 -4.180) 15.529 12.950 ( 10.132 -3.263 0.141) 10.645 13.707 ( 9.864 21.294 -0.338) 23.470 15.457 ( -10.017 -8.792 5.509) 14.421 15.573 ( -9.342 1.023 -2.756) 9.794 15.891 ( -18.869 -17.888 -13.119) 29.122 20.362 ( 4.065 14.302 -3.761) 15.336 20.791 ( 0.094 2.862 -1.315) 3.151 21.075 ( 1.330 -2.771 -3.316) 4.522 21.290 ( -3.722 -7.070 -5.426) 9.658 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -0.025 -3.172 3.525) 4.742 2.190 ( -5.981 -7.840 4.687) 10.918 3.064 ( 5.254 7.247 17.833) 19.953 3.321 ( -2.537 1.231 18.006) 18.225 3.976 ( 1.080 2.344 -4.281) 4.999 4.043 ( 0.191 4.899 -5.586) 7.432 4.339 ( -1.247 -3.864 -4.382) 5.974 4.391 ( -0.265 -6.075 -1.409) 6.242 4.769 ( 9.156 6.440 -3.150) 11.629 5.290 ( 4.709 -9.648 -5.803) 12.204 5.531 ( 0.903 -1.719 5.815) 6.131 5.616 ( -0.468 -2.920 7.885) 8.421 5.685 ( -1.930 5.527 -1.510) 6.046 5.823 ( 0.892 2.551 5.983) 6.565 5.892 ( -4.859 -0.517 1.849) 5.225 5.941 ( -0.684 1.169 6.143) 6.291 6.050 ( 9.125 6.183 0.840) 11.054 6.547 ( 0.279 -7.661 0.161) 7.668 6.738 ( 6.383 2.325 18.658) 19.856 6.902 ( 1.292 4.615 5.857) 7.568 7.046 ( -3.416 -3.487 20.595) 21.166 7.152 ( -1.587 -1.821 6.599) 7.027 7.709 ( 7.338 1.551 -2.790) 8.002 7.880 ( -1.463 -2.621 -18.115) 18.362 8.131 ( -7.098 2.775 -17.425) 19.019 8.312 ( -9.918 -1.215 -0.619) 10.011 10.068 ( 1.645 2.145 8.586) 9.002 10.259 ( -2.798 -1.474 7.505) 8.144 10.314 ( -0.386 0.239 1.079) 1.171 10.374 ( -1.213 1.138 0.124) 1.668 10.642 ( 4.083 2.268 4.355) 6.386 10.853 ( -1.191 -2.276 4.148) 4.878 13.067 ( 15.165 1.783 -2.436) 15.462 13.172 ( 11.534 -1.093 -0.637) 11.604 13.958 ( 15.937 11.433 2.154) 19.732 15.215 ( -15.649 -13.038 -0.717) 20.382 15.374 ( -10.346 0.977 -2.074) 10.597 15.497 ( -18.995 -5.480 -9.664) 22.005 20.460 ( 5.895 9.892 -3.558) 12.053 20.774 ( -2.096 2.737 -1.303) 3.686 21.102 ( 1.368 -2.669 -2.492) 3.900 21.216 ( -3.543 -5.534 -4.726) 8.094 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 2.180 -6.177 2.389) 6.972 2.085 ( -4.514 -7.778 2.916) 9.453 3.166 ( 5.071 6.670 17.111) 19.052 3.256 ( -4.046 4.540 17.167) 18.212 4.000 ( 1.391 2.777 -3.935) 5.013 4.028 ( -1.363 3.442 -4.400) 5.750 4.337 ( 1.046 -3.827 -3.702) 5.427 4.369 ( -1.806 -5.140 -3.386) 6.414 5.014 ( 14.767 5.289 -3.266) 16.022 5.278 ( -9.081 0.655 -6.097) 10.957 5.534 ( 1.208 -3.604 8.312) 9.140 5.585 ( -2.617 -3.609 7.745) 8.936 5.654 ( 1.331 -1.688 1.540) 2.644 5.721 ( -5.018 -0.925 1.129) 5.226 5.902 ( 2.056 2.577 6.197) 7.020 5.930 ( -0.848 2.375 6.211) 6.703 6.294 ( 12.350 3.725 -1.584) 12.996 6.490 ( -6.840 -0.658 -2.739) 7.398 6.843 ( 4.123 -1.289 21.921) 22.343 6.898 ( -1.652 -3.807 19.117) 19.562 7.033 ( 2.247 2.119 11.803) 12.201 7.098 ( -3.577 -0.398 6.726) 7.628 7.856 ( 5.955 -1.263 -12.898) 14.262 7.892 ( 2.556 -2.116 -19.053) 19.340 8.013 ( -3.082 2.871 -10.859) 11.648 8.115 ( -9.745 0.022 0.438) 9.754 10.118 ( 3.288 2.247 8.157) 9.077 10.190 ( -3.883 1.313 7.746) 8.764 10.321 ( 0.965 1.245 -0.455) 1.640 10.347 ( -1.488 1.710 -0.916) 2.445 10.726 ( 4.401 -0.409 4.279) 6.152 10.806 ( -3.485 -1.838 4.261) 5.804 13.304 ( 7.936 1.922 0.043) 8.166 13.342 ( 4.259 1.526 -0.588) 4.563 14.335 ( 22.478 -1.111 2.156) 22.609 14.808 ( -24.549 -11.969 -1.034) 27.331 15.218 ( -4.051 1.786 -4.374) 6.223 15.245 ( -6.866 2.401 -8.566) 11.238 20.584 ( 6.549 5.913 -3.152) 9.369 20.702 ( -5.145 3.430 -2.259) 6.583 21.129 ( 1.359 -2.896 -2.322) 3.953 21.161 ( -2.106 -3.838 -3.248) 5.451 ======================= Grid point 288 (101/120) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.000 8.190 8.583) 11.864 2.351 ( 0.000 -6.075 8.590) 10.521 2.970 ( 0.000 7.204 21.477) 22.653 3.162 ( 0.000 -10.735 21.393) 23.935 4.034 ( 0.000 10.320 -10.959) 15.053 4.066 ( 0.000 3.641 -4.960) 6.153 4.229 ( 0.000 -4.579 -1.036) 4.694 4.345 ( 0.000 -11.351 -4.054) 12.053 4.872 ( 0.000 2.373 -2.231) 3.257 4.903 ( 0.000 -1.365 -0.309) 1.400 5.475 ( 0.000 0.174 -6.491) 6.493 5.486 ( 0.000 -0.610 -7.138) 7.164 5.550 ( 0.000 1.538 2.956) 3.332 5.579 ( 0.000 -1.149 2.947) 3.163 5.719 ( 0.000 6.687 8.876) 11.113 5.858 ( 0.000 -6.668 7.805) 10.265 6.579 ( 0.000 3.919 13.419) 13.980 6.594 ( 0.000 1.572 9.283) 9.415 6.658 ( 0.000 7.283 8.304) 11.046 6.832 ( 0.000 -5.839 10.512) 12.025 6.950 ( 0.000 -1.483 -1.471) 2.089 6.956 ( 0.000 -4.716 2.975) 5.576 7.754 ( 0.000 8.013 -0.824) 8.056 7.909 ( 0.000 -7.022 -7.423) 10.218 8.493 ( 0.000 5.058 -12.981) 13.932 8.589 ( 0.000 -3.955 -7.244) 8.254 10.125 ( 0.000 0.317 8.622) 8.628 10.152 ( 0.000 -2.509 7.860) 8.251 10.332 ( 0.000 -0.748 5.429) 5.480 10.342 ( 0.000 -1.595 5.228) 5.466 10.668 ( 0.000 3.813 4.617) 5.988 10.728 ( 0.000 -2.060 3.584) 4.134 12.530 ( 0.000 5.212 -2.313) 5.703 12.641 ( 0.000 -5.438 -0.007) 5.438 14.278 ( 0.000 42.982 -4.394) 43.206 15.168 ( 0.000 -39.869 -1.289) 39.889 15.813 ( 0.000 2.673 -1.458) 3.045 15.906 ( 0.000 -8.339 -3.981) 9.240 20.723 ( 0.000 21.272 -5.851) 22.062 20.864 ( 0.000 5.414 -2.585) 6.000 20.960 ( 0.000 -5.119 -4.075) 6.543 21.125 ( 0.000 -15.844 -5.411) 16.743 ======================= Grid point 289 (102/120) ======================= q-point: ( 0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -4.335 6.707 8.110) 11.382 2.293 ( -5.435 -6.432 8.254) 11.791 3.016 ( 4.273 7.616 20.625) 22.398 3.196 ( 3.122 -9.308 20.704) 22.913 4.038 ( 0.192 7.124 -7.216) 10.142 4.099 ( 3.334 6.006 -8.005) 10.549 4.215 ( -1.313 -4.328 -1.018) 4.636 4.350 ( 0.109 -9.721 -3.337) 10.278 4.805 ( -3.575 4.538 -2.405) 6.258 4.909 ( -0.034 -6.146 -2.918) 6.803 5.526 ( 0.129 1.381 4.629) 4.832 5.538 ( 3.691 0.774 1.451) 4.041 5.604 ( 5.038 0.445 -2.823) 5.792 5.623 ( 9.257 -0.466 -7.374) 11.844 5.752 ( 3.001 5.725 8.118) 10.377 5.870 ( 1.156 -5.600 7.562) 9.480 6.468 ( -9.597 2.548 7.668) 12.546 6.516 ( -6.930 -1.890 8.578) 11.188 6.679 ( 2.044 9.009 12.029) 15.167 6.863 ( 3.431 -5.323 12.485) 13.999 6.975 ( 1.552 -1.621 3.196) 3.906 7.021 ( 4.754 -2.917 1.733) 5.841 7.737 ( -1.398 7.576 -2.076) 7.979 7.885 ( -2.255 -6.712 -8.402) 10.988 8.455 ( -3.894 4.947 -12.610) 14.094 8.548 ( -4.104 -3.892 -6.820) 8.860 10.109 ( -0.847 1.799 8.553) 8.781 10.168 ( 0.990 -3.923 8.087) 9.042 10.329 ( 0.006 0.058 4.561) 4.561 10.354 ( 0.827 -2.003 4.323) 4.835 10.675 ( 0.686 4.735 4.518) 6.581 10.753 ( 2.030 -2.894 3.815) 5.201 12.604 ( 7.546 4.543 -2.312) 9.107 12.702 ( 6.238 -4.844 -0.011) 7.897 14.280 ( 0.214 40.730 -4.018) 40.928 15.128 ( -4.137 -38.261 -1.662) 38.520 15.755 ( -5.757 2.354 -1.648) 6.434 15.838 ( -6.863 -7.348 -3.734) 10.726 20.714 ( -0.781 19.886 -5.572) 20.666 20.865 ( 0.026 4.574 -2.440) 5.185 20.973 ( 1.282 -4.374 -3.749) 5.901 21.113 ( -1.115 -14.822 -5.359) 15.800 ======================= Grid point 290 (103/120) ======================= q-point: ( 0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -5.496 3.611 6.621) 9.332 2.164 ( -7.207 -6.791 6.981) 12.116 3.116 ( 5.509 7.827 18.964) 21.242 3.264 ( 3.372 -6.119 19.197) 20.429 4.043 ( 0.455 5.862 -4.495) 7.401 4.172 ( 1.909 8.641 -6.697) 11.098 4.186 ( -0.116 -7.879 -3.019) 8.439 4.333 ( -1.871 -6.259 -2.871) 7.136 4.789 ( 2.637 6.186 -3.373) 7.523 4.949 ( 4.789 -9.748 -4.471) 11.745 5.516 ( -0.432 1.258 5.832) 5.982 5.558 ( -0.255 -2.508 6.331) 6.814 5.788 ( 8.326 3.596 -5.129) 10.419 5.805 ( 7.695 1.687 -3.495) 8.618 5.825 ( 5.195 3.973 4.668) 8.035 5.902 ( 2.045 -3.285 6.981) 7.981 6.259 ( -10.555 4.233 6.320) 13.010 6.377 ( -5.127 -7.015 5.090) 10.070 6.743 ( 3.895 8.116 16.048) 18.400 6.926 ( 1.978 -8.869 17.427) 19.654 7.001 ( 1.167 4.774 3.409) 5.981 7.091 ( 2.074 -3.497 3.946) 5.665 7.717 ( -0.078 5.821 -5.497) 8.006 7.836 ( -2.309 -5.590 -11.189) 12.719 8.348 ( -6.762 4.539 -11.555) 14.136 8.434 ( -7.358 -3.571 -5.608) 9.917 10.105 ( 0.542 3.253 8.511) 9.128 10.187 ( 1.070 -4.636 8.109) 9.401 10.333 ( 0.302 1.128 2.621) 2.870 10.369 ( 0.638 -1.907 2.312) 3.064 10.691 ( 0.865 5.332 4.342) 6.930 10.787 ( 1.096 -3.894 4.060) 5.731 12.815 ( 13.615 3.010 -2.339) 14.139 12.881 ( 11.789 -3.348 -0.205) 12.257 14.288 ( 0.588 33.823 -2.299) 33.906 15.006 ( -8.399 -33.311 -1.932) 34.407 15.599 ( -9.755 1.615 -2.309) 10.154 15.654 ( -11.317 -4.735 -3.961) 12.891 20.699 ( -0.546 16.417 -5.080) 17.194 20.859 ( -0.836 2.443 -2.380) 3.511 21.004 ( 1.749 -3.344 -2.899) 4.759 21.088 ( -1.208 -11.466 -4.784) 12.482 ======================= Grid point 291 (104/120) ======================= q-point: ( 0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -3.877 0.328 4.782) 6.165 2.031 ( -6.045 -6.400 5.195) 10.222 3.218 ( 4.670 6.829 17.443) 19.305 3.315 ( 1.709 -2.380 17.639) 17.880 4.057 ( 0.960 5.335 -2.893) 6.144 4.144 ( -1.744 2.073 0.055) 2.710 4.224 ( 1.072 -3.300 -9.347) 9.970 4.292 ( -1.937 -4.742 -3.583) 6.251 4.914 ( 9.783 7.775 -3.598) 13.004 5.091 ( 9.021 -9.444 -4.357) 13.768 5.512 ( -0.198 0.189 6.219) 6.225 5.545 ( -1.076 -2.955 6.943) 7.622 5.795 ( -6.146 4.303 -1.308) 7.616 5.848 ( -6.161 -0.806 0.947) 6.286 5.908 ( 2.019 1.972 5.277) 5.984 5.942 ( 1.704 -0.992 6.507) 6.799 6.201 ( 7.338 8.178 1.071) 11.040 6.375 ( 4.468 -8.708 0.640) 9.808 6.808 ( 2.240 4.457 19.539) 20.166 6.909 ( -3.380 -4.603 18.418) 19.284 7.034 ( 1.985 3.351 7.732) 8.658 7.103 ( -0.517 -2.921 5.362) 6.128 7.750 ( 3.519 2.569 -9.866) 10.786 7.814 ( 0.394 -3.472 -15.164) 15.561 8.202 ( -7.784 3.786 -9.466) 12.827 8.272 ( -8.898 -2.778 -3.619) 10.000 10.130 ( 1.898 3.677 8.311) 9.284 10.207 ( 0.711 -3.459 7.973) 8.720 10.341 ( 0.504 1.966 0.705) 2.149 10.376 ( 0.020 -1.032 0.250) 1.062 10.707 ( 0.812 3.894 4.001) 5.642 10.789 ( -0.849 -3.832 4.084) 5.664 13.106 ( 14.992 1.895 -2.105) 15.258 13.143 ( 14.062 -1.653 -1.816) 14.275 14.305 ( 1.364 21.879 2.038) 22.016 14.800 ( -12.410 -24.679 0.219) 27.624 15.398 ( -9.962 1.339 -3.714) 10.716 15.430 ( -10.587 -1.926 -6.979) 12.826 20.699 ( 0.602 11.646 -4.720) 12.581 20.827 ( -2.368 0.634 -3.096) 3.949 21.037 ( 1.475 -2.848 -1.935) 3.746 21.072 ( -0.393 -6.848 -3.234) 7.584 ======================= Grid point 292 (105/120) ======================= q-point: ( 0.44 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -0.603 -2.656 3.658) 4.560 1.939 ( -3.102 -5.001 3.843) 7.029 3.293 ( 2.850 4.554 16.569) 17.418 3.327 ( -0.593 1.334 16.637) 16.701 4.081 ( 1.437 4.678 -1.698) 5.180 4.111 ( -1.655 3.639 -0.560) 4.037 4.237 ( 0.754 -4.627 -7.642) 8.966 4.259 ( -1.445 -5.013 -5.507) 7.586 5.140 ( 11.954 6.372 -4.235) 14.192 5.251 ( 4.418 -3.798 -5.961) 8.335 5.489 ( -2.449 -0.524 8.457) 8.820 5.511 ( -2.611 -2.673 7.932) 8.768 5.645 ( -4.493 0.994 1.597) 4.871 5.685 ( -7.199 -2.315 1.029) 7.632 5.950 ( 1.575 1.717 6.560) 6.961 5.963 ( 0.288 0.565 6.488) 6.519 6.383 ( 8.366 4.474 -2.646) 9.850 6.459 ( 1.467 -2.609 -3.625) 4.701 6.820 ( -0.600 -0.500 21.553) 21.567 6.835 ( -2.822 -2.045 21.160) 21.446 7.066 ( 1.219 1.219 9.560) 9.714 7.086 ( -0.967 -0.771 7.685) 7.784 7.837 ( 4.191 -0.235 -17.328) 17.829 7.851 ( 2.675 -1.541 -19.638) 19.879 8.070 ( -4.326 2.459 -3.203) 5.918 8.106 ( -7.088 -1.029 -0.125) 7.163 10.172 ( 2.204 2.623 8.111) 8.805 10.206 ( -0.953 -0.307 8.015) 8.077 10.354 ( 0.829 1.530 -0.671) 1.865 10.369 ( -0.642 0.217 -0.917) 1.140 10.728 ( 1.410 0.803 3.775) 4.109 10.761 ( -1.797 -2.217 3.899) 4.832 13.348 ( 8.191 1.976 -2.692) 8.846 13.368 ( 6.668 0.349 -4.256) 7.918 14.362 ( 5.466 4.878 7.232) 10.294 14.544 ( -12.592 -12.214 5.385) 18.351 15.255 ( -3.627 1.536 -7.793) 8.732 15.271 ( -5.021 0.122 -9.629) 10.860 20.724 ( 2.009 6.385 -4.434) 8.029 20.774 ( -2.850 2.080 -3.957) 5.302 21.059 ( 0.789 -2.931 -1.418) 3.350 21.068 ( -0.206 -3.954 -1.815) 4.356 ======================= Grid point 315 (106/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.405 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 -0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.545 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 7.919 ( 0.000 0.000 0.000) 0.000 8.054 ( 0.000 0.000 -0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 10.235 ( 0.000 0.000 0.000) 0.000 10.352 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 10.580 ( 0.000 0.000 0.000) 0.000 10.790 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 13.193 ( 0.000 0.000 0.000) 0.000 15.721 ( 0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 -0.000) 0.000 16.332 ( 0.000 0.000 0.000) 0.000 20.035 ( 0.000 0.000 0.000) 0.000 20.721 ( 0.000 0.000 0.000) 0.000 21.027 ( 0.000 0.000 0.000) 0.000 21.404 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 317 (107/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -0.544 0.000 0.000) 0.544 2.554 ( -3.643 0.000 0.000) 3.643 3.123 ( 0.576 0.000 0.000) 0.576 3.611 ( 5.732 0.000 0.000) 5.732 3.668 ( -2.216 0.000 0.000) 2.216 3.915 ( -0.392 0.000 0.000) 0.392 4.469 ( 0.745 0.000 0.000) 0.745 4.538 ( -5.850 0.000 0.000) 5.850 4.588 ( -4.408 0.000 0.000) 4.408 5.200 ( 12.200 0.000 0.000) 12.200 5.298 ( 0.602 0.000 0.000) 0.602 5.475 ( 6.756 0.000 0.000) 6.756 5.564 ( -0.028 0.000 0.000) 0.028 5.684 ( 1.836 0.000 -0.000) 1.836 5.697 ( 3.863 0.000 0.000) 3.863 6.071 ( -1.644 0.000 0.000) 1.644 6.484 ( -8.866 0.000 0.000) 8.866 6.600 ( 5.493 0.000 0.000) 5.493 6.640 ( 3.704 0.000 0.000) 3.704 6.808 ( -5.282 0.000 0.000) 5.282 7.098 ( 6.092 0.000 0.000) 6.092 7.417 ( 4.298 0.000 0.000) 4.298 7.671 ( -3.218 0.000 0.000) 3.218 7.879 ( -3.919 0.000 0.000) 3.919 8.015 ( -4.002 0.000 -0.000) 4.002 8.621 ( -4.116 0.000 0.000) 4.116 10.185 ( -3.091 0.000 0.000) 3.091 10.429 ( 5.858 0.000 0.000) 5.858 10.431 ( -1.589 0.000 -0.000) 1.589 10.438 ( -1.859 0.000 0.000) 1.859 10.531 ( -4.124 0.000 0.000) 4.124 10.839 ( 3.907 0.000 0.000) 3.907 12.439 ( 9.143 0.000 0.000) 9.143 12.840 ( 4.930 0.000 0.000) 4.930 13.267 ( 7.570 0.000 0.000) 7.570 15.665 ( -5.668 0.000 0.000) 5.668 15.863 ( -6.952 0.000 -0.000) 6.952 16.219 ( -11.396 0.000 0.000) 11.396 20.070 ( 3.570 0.000 0.000) 3.570 20.731 ( 0.920 0.000 0.000) 0.920 21.038 ( 1.143 0.000 0.000) 1.143 21.377 ( -2.624 0.000 0.000) 2.624 ======================= Grid point 319 (108/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -0.483 0.000 0.000) 0.483 2.456 ( -6.109 0.000 0.000) 6.109 3.148 ( 2.112 0.000 0.000) 2.112 3.607 ( -3.991 0.000 0.000) 3.991 3.750 ( 7.562 0.000 0.000) 7.562 3.908 ( -0.236 0.000 0.000) 0.236 4.415 ( -5.430 0.000 -0.000) 5.430 4.475 ( -0.538 0.000 0.000) 0.538 4.554 ( 1.307 0.000 0.000) 1.307 5.317 ( 1.115 0.000 0.000) 1.115 5.431 ( 9.911 0.000 0.000) 9.911 5.579 ( 1.534 0.000 0.000) 1.534 5.662 ( 12.503 0.000 0.000) 12.503 5.726 ( 2.235 0.000 -0.000) 2.235 5.784 ( 4.690 0.000 0.000) 4.690 6.030 ( -2.328 0.000 0.000) 2.328 6.242 ( -14.748 0.000 0.000) 14.748 6.729 ( -3.667 0.000 0.000) 3.667 6.744 ( 6.800 0.000 -0.000) 6.800 6.752 ( 9.854 0.000 0.000) 9.854 7.183 ( 2.551 0.000 0.000) 2.551 7.536 ( 7.604 0.000 0.000) 7.604 7.591 ( -4.523 0.000 0.000) 4.523 7.776 ( -6.386 0.000 0.000) 6.386 7.901 ( -7.535 0.000 -0.000) 7.535 8.504 ( -7.736 0.000 0.000) 7.736 10.142 ( -1.102 0.000 0.000) 1.102 10.389 ( -2.567 0.000 0.000) 2.567 10.391 ( -2.833 0.000 0.000) 2.833 10.442 ( -4.797 0.000 0.000) 4.797 10.549 ( 6.263 0.000 0.000) 6.263 10.906 ( 2.341 0.000 0.000) 2.341 12.688 ( 15.746 0.000 0.000) 15.746 12.984 ( 9.515 0.000 0.000) 9.515 13.489 ( 15.118 0.000 0.000) 15.118 15.509 ( -9.937 0.000 0.000) 9.937 15.670 ( -12.347 0.000 -0.000) 12.347 15.900 ( -20.782 0.000 0.000) 20.782 20.170 ( 6.580 0.000 0.000) 6.580 20.749 ( 0.487 0.000 0.000) 0.487 21.068 ( 1.759 0.000 0.000) 1.759 21.307 ( -4.295 0.000 0.000) 4.295 ======================= Grid point 321 (109/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 0.920 0.000 0.000) 0.920 2.326 ( -6.826 0.000 0.000) 6.826 3.208 ( 4.025 0.000 0.000) 4.025 3.516 ( -5.155 0.000 0.000) 5.155 3.868 ( 3.932 0.000 0.000) 3.932 3.907 ( 0.111 0.000 0.000) 0.111 4.343 ( -1.802 0.000 -0.000) 1.802 4.444 ( -2.478 0.000 0.000) 2.478 4.664 ( 10.112 0.000 0.000) 10.112 5.321 ( -1.692 0.000 0.000) 1.692 5.574 ( 5.117 0.000 0.000) 5.117 5.622 ( 2.833 0.000 0.000) 2.833 5.757 ( 0.532 0.000 0.000) 0.532 5.869 ( 3.807 0.000 -0.000) 3.807 5.944 ( 15.387 0.000 0.000) 15.387 5.947 ( -14.300 0.000 0.000) 14.300 5.987 ( -1.897 0.000 0.000) 1.897 6.637 ( -6.222 0.000 0.000) 6.222 6.894 ( 8.192 0.000 0.000) 8.192 6.975 ( 12.684 0.000 0.000) 12.684 7.201 ( -0.577 0.000 0.000) 0.577 7.510 ( -3.373 0.000 0.000) 3.373 7.644 ( -6.719 0.000 0.000) 6.719 7.706 ( 9.630 0.000 0.000) 9.630 7.724 ( -10.493 0.000 -0.000) 10.493 8.327 ( -10.122 0.000 0.000) 10.122 10.143 ( 1.158 0.000 0.000) 1.158 10.337 ( -2.462 0.000 0.000) 2.462 10.338 ( -2.401 0.000 0.000) 2.401 10.347 ( -4.796 0.000 0.000) 4.796 10.669 ( 5.979 0.000 0.000) 5.979 10.920 ( -0.991 0.000 0.000) 0.991 13.019 ( 16.973 0.000 0.000) 16.973 13.191 ( 10.767 0.000 0.000) 10.767 13.853 ( 21.926 0.000 0.000) 21.926 15.300 ( -10.614 0.000 0.000) 10.614 15.405 ( -13.873 0.000 -0.000) 13.873 15.429 ( -26.734 0.000 0.000) 26.734 20.320 ( 8.496 0.000 0.000) 8.496 20.734 ( -2.409 0.000 0.000) 2.409 21.103 ( 1.703 0.000 0.000) 1.703 21.223 ( -3.880 0.000 0.000) 3.880 ======================= Grid point 323 (110/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 3.431 0.000 0.000) 3.431 2.201 ( -5.776 0.000 0.000) 5.776 3.301 ( 5.312 0.000 0.000) 5.312 3.409 ( -5.645 0.000 0.000) 5.645 3.908 ( 0.660 0.000 -0.000) 0.660 3.910 ( 0.193 0.000 0.000) 0.193 4.342 ( 1.415 0.000 -0.000) 1.415 4.388 ( -2.968 0.000 0.000) 2.968 4.924 ( 15.219 0.000 0.000) 15.219 5.200 ( -11.265 0.000 0.000) 11.265 5.650 ( 3.268 0.000 0.000) 3.268 5.684 ( 3.267 0.000 -0.000) 3.267 5.735 ( -6.733 0.000 0.000) 6.733 5.740 ( -2.155 0.000 -0.000) 2.155 5.928 ( 2.157 0.000 0.000) 2.157 5.958 ( -1.216 0.000 -0.000) 1.216 6.235 ( 13.929 0.000 0.000) 13.929 6.475 ( -10.389 0.000 0.000) 10.389 7.048 ( 7.150 0.000 0.000) 7.150 7.159 ( -3.884 0.000 0.000) 3.884 7.235 ( 13.630 0.000 -0.000) 13.630 7.477 ( 0.366 0.000 0.000) 0.366 7.495 ( -12.718 0.000 -0.000) 12.718 7.529 ( -4.666 0.000 0.000) 4.666 7.906 ( 10.683 0.000 0.000) 10.683 8.119 ( -10.968 0.000 0.000) 10.968 10.185 ( 3.034 0.000 0.000) 3.034 10.258 ( -4.265 0.000 -0.000) 4.265 10.302 ( -0.923 0.000 0.000) 0.923 10.303 ( -1.026 0.000 0.000) 1.026 10.781 ( 5.310 0.000 0.000) 5.310 10.871 ( -3.772 0.000 0.000) 3.772 13.295 ( 9.574 0.000 -0.000) 9.574 13.350 ( 3.854 0.000 0.000) 3.854 14.333 ( 26.817 0.000 0.000) 26.817 14.881 ( -28.676 0.000 0.000) 28.676 15.141 ( -4.144 0.000 0.000) 4.144 15.178 ( -7.865 0.000 0.000) 7.865 20.492 ( 8.730 0.000 0.000) 8.730 20.645 ( -6.556 0.000 0.000) 6.556 21.133 ( 1.450 0.000 0.000) 1.450 21.165 ( -2.099 0.000 0.000) 2.099 ======================= Grid point 333 (111/120) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 0.000 5.831 0.000) 5.831 2.550 ( 0.000 -3.806 0.000) 3.806 3.143 ( 0.000 2.682 0.000) 2.682 3.609 ( 0.000 -7.418 0.000) 7.418 3.646 ( 0.000 8.787 0.000) 8.787 3.941 ( 0.000 2.079 0.000) 2.079 4.354 ( 0.000 -7.492 0.000) 7.492 4.517 ( 0.000 -7.892 0.000) 7.892 4.755 ( 0.000 5.409 0.000) 5.409 4.963 ( 0.000 -5.159 0.000) 5.159 5.351 ( 0.000 3.343 0.000) 3.343 5.398 ( 0.000 -0.460 0.000) 0.460 5.574 ( 0.000 0.539 0.000) 0.539 5.644 ( 0.000 -0.852 0.000) 0.852 5.711 ( 0.000 4.220 -0.000) 4.220 6.045 ( 0.000 -3.965 0.000) 3.965 6.608 ( 0.000 3.511 0.000) 3.511 6.613 ( 0.000 6.506 0.000) 6.506 6.636 ( 0.000 2.878 0.000) 2.878 6.925 ( 0.000 -0.280 0.000) 0.280 6.959 ( 0.000 -1.305 0.000) 1.305 7.266 ( 0.000 -9.354 0.000) 9.354 7.709 ( 0.000 0.657 0.000) 0.657 7.887 ( 0.000 -2.977 0.000) 2.977 8.154 ( 0.000 8.419 -0.000) 8.419 8.625 ( 0.000 -3.609 0.000) 3.609 10.227 ( 0.000 -0.598 0.000) 0.598 10.298 ( 0.000 -3.745 0.000) 3.745 10.424 ( 0.000 -2.530 0.000) 2.530 10.429 ( 0.000 -1.594 0.000) 1.594 10.638 ( 0.000 4.180 0.000) 4.180 10.785 ( 0.000 -0.553 0.000) 0.553 12.392 ( 0.000 4.176 0.000) 4.176 12.751 ( 0.000 -3.877 0.000) 3.877 13.486 ( 0.000 27.325 0.000) 27.325 15.743 ( 0.000 2.028 0.000) 2.028 15.913 ( 0.000 -1.787 -0.000) 1.787 15.978 ( 0.000 -32.058 0.000) 32.058 20.243 ( 0.000 18.074 0.000) 18.074 20.752 ( 0.000 2.940 0.000) 2.940 20.997 ( 0.000 -2.830 0.000) 2.830 21.318 ( 0.000 -8.297 0.000) 8.297 ======================= Grid point 335 (112/120) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -2.085 4.435 0.000) 4.901 2.503 ( -4.618 -4.658 0.000) 6.559 3.160 ( 1.736 3.711 0.000) 4.097 3.604 ( -0.589 -5.958 0.000) 5.987 3.699 ( 5.094 8.184 0.000) 9.639 3.941 ( 0.035 2.510 0.000) 2.510 4.343 ( -1.107 -7.982 0.000) 8.058 4.490 ( -2.790 -5.880 0.000) 6.508 4.676 ( -4.433 5.394 0.000) 6.981 5.027 ( 3.947 -9.641 0.000) 10.418 5.416 ( 8.305 5.150 0.000) 9.772 5.504 ( 7.939 2.315 0.000) 8.270 5.565 ( -0.404 0.362 0.000) 0.543 5.664 ( 1.538 -1.531 0.000) 2.170 5.747 ( 3.353 4.040 0.000) 5.250 6.036 ( -0.828 -3.234 0.000) 3.339 6.497 ( -9.107 1.422 0.000) 9.218 6.627 ( -3.343 -1.150 0.000) 3.535 6.664 ( 5.129 6.175 0.000) 8.028 6.857 ( 0.248 4.306 0.000) 4.313 7.085 ( 6.182 -1.249 0.000) 6.306 7.304 ( 3.705 -9.615 0.000) 10.304 7.675 ( -3.377 0.516 0.000) 3.416 7.847 ( -3.909 -2.978 0.000) 4.915 8.120 ( -3.450 8.662 -0.000) 9.324 8.586 ( -3.947 -3.466 0.000) 5.252 10.185 ( -2.470 0.182 0.000) 2.477 10.346 ( 2.842 -5.046 0.000) 5.791 10.397 ( -1.998 -2.018 0.000) 2.840 10.432 ( -0.453 -1.327 0.000) 1.402 10.619 ( -0.994 5.520 0.000) 5.609 10.828 ( 3.448 -1.120 0.000) 3.625 12.478 ( 8.679 3.723 0.000) 9.444 12.803 ( 5.277 -3.541 0.000) 6.355 13.538 ( 5.364 25.410 0.000) 25.970 15.685 ( -5.798 1.908 0.000) 6.104 15.845 ( -6.835 -1.678 -0.000) 7.038 15.888 ( -9.106 -30.110 0.000) 31.457 20.262 ( 2.026 16.826 0.000) 16.947 20.762 ( 0.846 2.855 0.000) 2.977 21.009 ( 1.212 -2.753 0.000) 3.008 21.295 ( -2.324 -8.002 0.000) 8.332 ======================= Grid point 337 (113/120) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -2.686 1.169 0.000) 2.930 2.384 ( -7.154 -6.286 0.000) 9.523 3.210 ( 3.302 5.628 0.000) 6.525 3.582 ( -1.747 -2.576 0.000) 3.112 3.817 ( 6.010 6.059 0.000) 8.534 3.946 ( 0.605 3.830 0.000) 3.877 4.315 ( -1.607 -7.543 0.000) 7.712 4.421 ( -3.418 -3.996 0.000) 5.259 4.642 ( 1.180 5.312 0.000) 5.441 5.112 ( 5.129 -11.956 0.000) 13.010 5.569 ( 0.855 -0.445 0.000) 0.963 5.599 ( 6.666 8.481 0.000) 10.788 5.690 ( 12.394 2.419 0.000) 12.628 5.693 ( 1.246 -2.903 -0.000) 3.159 5.827 ( 4.408 3.527 0.000) 5.645 6.018 ( -0.834 -1.257 0.000) 1.509 6.262 ( -13.941 1.905 0.000) 14.071 6.571 ( -1.681 -7.808 0.000) 7.987 6.806 ( 9.110 5.195 0.000) 10.487 6.900 ( 2.939 7.549 0.000) 8.101 7.172 ( 2.558 -1.130 0.000) 2.796 7.399 ( 5.620 -10.466 0.000) 11.879 7.591 ( -4.733 0.169 0.000) 4.736 7.745 ( -6.193 -2.824 0.000) 6.807 8.028 ( -5.569 9.499 -0.000) 11.011 8.474 ( -7.321 -2.960 0.000) 7.896 10.154 ( -0.563 1.269 0.000) 1.388 10.354 ( -2.165 -1.165 0.000) 2.458 10.374 ( -0.342 -4.651 0.000) 4.663 10.411 ( -1.670 -0.101 0.000) 1.673 10.626 ( 1.949 5.345 0.000) 5.689 10.887 ( 1.987 -1.903 0.000) 2.751 12.717 ( 15.114 2.674 0.000) 15.349 12.955 ( 10.074 -2.667 0.000) 10.421 13.699 ( 11.167 19.950 0.000) 22.862 15.525 ( -10.179 1.562 0.000) 10.298 15.631 ( -16.834 -24.689 -0.000) 29.882 15.656 ( -12.127 -1.363 0.000) 12.203 20.323 ( 4.154 13.536 0.000) 14.159 20.777 ( 0.346 2.591 0.000) 2.614 21.041 ( 1.846 -2.578 0.000) 3.170 21.234 ( -3.602 -7.010 0.000) 7.881 ======================= Grid point 339 (114/120) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -1.099 -2.402 0.000) 2.641 2.240 ( -7.203 -7.306 0.000) 10.260 3.286 ( 4.349 6.654 0.000) 7.949 3.534 ( -3.113 1.105 0.000) 3.304 3.902 ( 2.589 3.272 0.000) 4.173 3.961 ( 0.529 4.970 0.000) 4.998 4.288 ( -0.798 -5.323 -0.000) 5.382 4.372 ( -2.007 -5.236 0.000) 5.607 4.739 ( 9.117 5.762 0.000) 10.785 5.215 ( 4.351 -8.196 0.000) 9.279 5.597 ( 1.947 -1.729 0.000) 2.604 5.655 ( -0.159 5.914 0.000) 5.916 5.704 ( -0.229 -4.250 0.000) 4.256 5.882 ( -2.594 -2.064 -0.000) 3.315 5.908 ( 3.717 3.146 0.000) 4.869 6.006 ( -0.456 1.095 -0.000) 1.186 6.062 ( 3.094 6.725 0.000) 7.403 6.546 ( -1.852 -7.265 0.000) 7.497 6.962 ( 3.569 4.978 0.000) 6.125 7.010 ( 11.432 3.420 0.000) 11.932 7.187 ( -0.913 -1.379 0.000) 1.654 7.490 ( 2.189 -10.811 0.000) 11.031 7.507 ( -3.388 -0.070 -0.000) 3.388 7.621 ( -6.125 -2.121 0.000) 6.482 7.932 ( -2.905 9.999 -0.000) 10.412 8.309 ( -9.340 -1.910 0.000) 9.533 10.164 ( 1.492 2.010 0.000) 2.503 10.319 ( -1.248 0.105 0.000) 1.252 10.339 ( -2.833 -1.090 -0.000) 3.035 10.371 ( -2.219 1.156 0.000) 2.502 10.687 ( 3.995 1.892 0.000) 4.420 10.896 ( -1.061 -2.277 0.000) 2.512 13.036 ( 16.374 1.526 0.000) 16.445 13.174 ( 11.357 -1.580 0.000) 11.466 13.975 ( 16.969 11.830 0.000) 20.686 15.247 ( -21.879 -16.806 -0.000) 27.589 15.311 ( -10.938 1.037 0.000) 10.987 15.396 ( -13.571 -0.875 0.000) 13.599 20.423 ( 6.013 9.310 0.000) 11.083 20.760 ( -2.432 2.258 0.000) 3.319 21.076 ( 1.715 -2.443 0.000) 2.984 21.168 ( -2.846 -5.207 0.000) 5.934 ======================= Grid point 341 (115/120) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 2.038 -5.302 0.000) 5.680 2.115 ( -5.237 -7.020 0.000) 8.758 3.375 ( 4.636 6.115 0.000) 7.673 3.462 ( -4.172 4.150 0.000) 5.885 3.936 ( 1.318 3.121 0.000) 3.388 3.957 ( -0.772 4.013 0.000) 4.087 4.293 ( 1.216 -4.586 -0.000) 4.745 4.329 ( -2.276 -5.058 0.000) 5.546 4.977 ( 13.917 4.684 0.000) 14.684 5.207 ( -7.038 0.223 0.000) 7.041 5.640 ( 0.851 -0.654 -0.000) 1.074 5.641 ( 2.368 -3.188 0.000) 3.972 5.683 ( -1.789 -4.305 0.000) 4.662 5.721 ( -7.030 -1.298 0.000) 7.149 5.966 ( 2.206 2.919 0.000) 3.659 5.995 ( -0.830 2.481 -0.000) 2.616 6.273 ( 11.753 3.346 0.000) 12.220 6.462 ( -7.105 -1.271 0.000) 7.218 7.046 ( 4.968 -0.067 0.000) 4.968 7.139 ( -3.936 -1.862 -0.000) 4.354 7.238 ( 11.507 0.473 -0.000) 11.517 7.435 ( -7.597 -4.900 0.000) 9.040 7.475 ( 0.319 -0.087 -0.000) 0.330 7.519 ( -3.999 -0.861 0.000) 4.090 7.964 ( 5.958 4.615 0.000) 7.537 8.122 ( -9.373 0.114 0.000) 9.374 10.209 ( 2.989 2.169 0.000) 3.693 10.275 ( -3.537 1.321 -0.000) 3.776 10.310 ( 0.327 1.268 0.000) 1.309 10.331 ( -1.724 1.716 0.000) 2.432 10.771 ( 4.382 -0.705 0.000) 4.439 10.850 ( -3.435 -1.968 0.000) 3.959 13.300 ( 9.027 0.475 -0.000) 9.040 13.345 ( 4.405 -0.528 0.000) 4.436 14.354 ( 21.509 2.301 0.000) 21.632 14.799 ( -23.428 -7.525 0.000) 24.607 15.145 ( -4.506 0.400 0.000) 4.523 15.175 ( -7.513 -0.265 0.000) 7.518 20.551 ( 6.846 5.386 0.000) 8.711 20.678 ( -5.723 2.854 0.000) 6.395 21.105 ( 1.217 -2.577 0.000) 2.850 21.128 ( -1.365 -3.402 0.000) 3.666 ======================= Grid point 351 (116/120) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 0.000 7.736 0.000) 7.736 2.442 ( 0.000 -6.503 0.000) 6.503 3.241 ( 0.000 7.036 0.000) 7.036 3.421 ( 0.000 -9.913 0.000) 9.913 3.877 ( 0.000 12.150 0.000) 12.150 3.991 ( 0.000 1.681 0.000) 1.681 4.217 ( 0.000 -4.557 0.000) 4.557 4.292 ( 0.000 -11.745 0.000) 11.745 4.844 ( 0.000 3.094 0.000) 3.094 4.892 ( 0.000 -2.204 0.000) 2.204 5.392 ( 0.000 0.705 0.000) 0.705 5.394 ( 0.000 0.058 0.000) 0.058 5.593 ( 0.000 1.226 0.000) 1.226 5.620 ( 0.000 -1.351 0.000) 1.351 5.819 ( 0.000 5.894 -0.000) 5.894 5.941 ( 0.000 -5.809 0.000) 5.809 6.682 ( 0.000 2.849 0.000) 2.849 6.694 ( 0.000 1.805 0.000) 1.805 6.796 ( 0.000 10.925 0.000) 10.925 6.917 ( 0.000 -0.276 0.000) 0.276 6.927 ( 0.000 -1.380 -0.000) 1.380 7.038 ( 0.000 -12.127 0.000) 12.127 7.740 ( 0.000 2.519 0.000) 2.519 7.811 ( 0.000 -4.042 0.000) 4.042 8.345 ( 0.000 9.361 -0.000) 9.361 8.516 ( 0.000 -7.000 0.000) 7.000 10.218 ( 0.000 -0.027 0.000) 0.027 10.236 ( 0.000 -1.980 0.000) 1.980 10.385 ( 0.000 -0.800 0.000) 0.800 10.394 ( 0.000 -1.430 0.000) 1.430 10.716 ( 0.000 3.159 0.000) 3.159 10.764 ( 0.000 -1.584 0.000) 1.584 12.506 ( 0.000 6.580 0.000) 6.580 12.643 ( 0.000 -6.390 0.000) 6.390 14.228 ( 0.000 42.980 0.000) 42.980 15.155 ( 0.000 -45.328 0.000) 45.328 15.798 ( 0.000 3.145 0.000) 3.145 15.863 ( 0.000 -2.997 0.000) 2.997 20.662 ( 0.000 20.511 0.000) 20.511 20.837 ( 0.000 5.350 0.000) 5.350 20.915 ( 0.000 -5.198 0.000) 5.198 21.071 ( 0.000 -15.455 0.000) 15.455 ======================= Grid point 353 (117/120) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -4.866 6.571 0.000) 8.176 2.381 ( -5.813 -6.739 0.000) 8.900 3.275 ( 3.213 7.380 0.000) 8.049 3.447 ( 2.276 -8.741 0.000) 9.032 3.909 ( 2.830 10.598 0.000) 10.970 4.005 ( 1.511 2.428 0.000) 2.860 4.203 ( -1.144 -3.815 0.000) 3.983 4.306 ( 0.730 -10.742 0.000) 10.767 4.775 ( -4.036 4.379 0.000) 5.956 4.871 ( -1.458 -5.628 0.000) 5.814 5.495 ( 10.641 2.949 0.000) 11.042 5.531 ( 10.394 -0.239 0.000) 10.397 5.585 ( -0.551 1.579 0.000) 1.672 5.625 ( 0.266 -2.096 -0.000) 2.113 5.845 ( 2.494 5.197 -0.000) 5.764 5.950 ( 0.923 -4.878 0.000) 4.965 6.541 ( -10.169 2.648 0.000) 10.508 6.593 ( -9.361 -2.204 0.000) 9.617 6.840 ( 4.304 10.516 0.000) 11.363 6.958 ( 4.829 4.910 0.000) 6.886 7.042 ( 6.110 -3.127 0.000) 6.864 7.075 ( 3.631 -11.954 0.000) 12.493 7.702 ( -3.676 2.396 0.000) 4.388 7.771 ( -3.851 -4.007 0.000) 5.558 8.312 ( -3.284 9.310 -0.000) 9.872 8.480 ( -3.572 -6.829 0.000) 7.707 10.202 ( -0.774 1.636 0.000) 1.810 10.256 ( 1.205 -3.621 0.000) 3.817 10.373 ( -0.983 -0.005 0.000) 0.983 10.395 ( -0.149 -1.855 0.000) 1.861 10.721 ( 0.626 4.291 0.000) 4.336 10.791 ( 2.214 -2.581 0.000) 3.401 12.580 ( 7.530 5.912 0.000) 9.573 12.704 ( 6.234 -5.796 0.000) 8.512 14.234 ( 0.651 40.544 0.000) 40.549 15.111 ( -4.457 -42.929 0.000) 43.160 15.737 ( -6.129 2.957 0.000) 6.805 15.798 ( -6.525 -2.816 0.000) 7.107 20.657 ( -0.532 19.343 0.000) 19.350 20.839 ( 0.124 4.036 0.000) 4.038 20.933 ( 1.652 -4.338 0.000) 4.642 21.059 ( -1.016 -14.259 0.000) 14.295 ======================= Grid point 355 (118/120) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -6.492 3.945 0.000) 7.596 2.239 ( -8.107 -6.924 0.000) 10.661 3.352 ( 4.277 7.566 0.000) 8.691 3.495 ( 2.316 -5.909 0.000) 6.347 3.962 ( 2.223 7.202 0.000) 7.537 4.051 ( 2.680 3.310 0.000) 4.259 4.178 ( -1.275 -2.496 0.000) 2.803 4.297 ( -1.762 -7.994 0.000) 8.186 4.751 ( 2.363 5.683 0.000) 6.155 4.895 ( 4.587 -8.773 0.000) 9.900 5.577 ( -0.181 1.434 0.000) 1.446 5.626 ( -0.139 -3.148 0.000) 3.151 5.723 ( 8.564 3.347 0.000) 9.195 5.737 ( 11.184 1.470 0.000) 11.281 5.906 ( 3.530 3.907 0.000) 5.266 5.976 ( 1.719 -2.801 0.000) 3.286 6.321 ( -11.257 3.907 0.000) 11.916 6.425 ( -6.457 -6.243 0.000) 8.981 6.956 ( 7.364 9.229 0.000) 11.807 7.038 ( 2.832 5.748 0.000) 6.408 7.130 ( 2.622 -3.179 0.000) 4.121 7.170 ( 5.755 -11.293 0.000) 12.675 7.611 ( -5.189 2.032 -0.000) 5.572 7.673 ( -5.705 -3.738 0.000) 6.821 8.224 ( -5.462 8.998 -0.000) 10.526 8.381 ( -6.361 -6.178 0.000) 8.867 10.199 ( 0.549 3.115 0.000) 3.163 10.278 ( 1.070 -4.463 0.000) 4.589 10.353 ( -0.925 1.067 0.000) 1.412 10.387 ( -0.596 -1.846 0.000) 1.939 10.736 ( 0.737 5.148 0.000) 5.200 10.828 ( 1.195 -3.754 0.000) 3.939 12.791 ( 13.495 4.306 0.000) 14.166 12.882 ( 11.571 -4.301 0.000) 12.345 14.259 ( 2.092 33.252 0.000) 33.318 14.986 ( -8.052 -35.806 0.000) 36.700 15.568 ( -10.799 2.416 0.000) 11.066 15.618 ( -11.542 -2.294 0.000) 11.767 20.647 ( -0.314 16.068 0.000) 16.071 20.833 ( -1.045 1.012 0.000) 1.454 20.973 ( 2.304 -3.216 0.000) 3.956 21.041 ( -0.583 -10.208 0.000) 10.225 ======================= Grid point 357 (119/120) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -4.766 0.873 0.000) 4.846 2.087 ( -7.008 -6.369 0.000) 9.470 3.432 ( 3.767 6.612 0.000) 7.609 3.528 ( 0.897 -2.367 0.000) 2.531 3.998 ( 1.630 5.925 0.000) 6.145 4.082 ( 0.100 4.458 0.000) 4.459 4.161 ( -0.201 -4.457 0.000) 4.461 4.252 ( -2.457 -6.579 0.000) 7.023 4.873 ( 9.644 7.261 0.000) 12.072 5.037 ( 8.928 -8.652 0.000) 12.432 5.579 ( 0.363 0.392 0.000) 0.534 5.619 ( -0.557 -3.411 0.000) 3.456 5.770 ( -3.752 4.792 0.000) 6.086 5.842 ( -4.351 -2.373 0.000) 4.956 5.973 ( 3.035 2.765 0.000) 4.106 6.011 ( 1.565 -0.807 0.000) 1.761 6.212 ( 3.582 7.888 0.000) 8.663 6.381 ( 1.790 -8.414 0.000) 8.602 7.062 ( -0.199 4.537 -0.000) 4.541 7.114 ( 8.378 6.728 -0.000) 10.746 7.141 ( -1.333 -3.112 0.000) 3.385 7.281 ( 4.927 -9.394 0.000) 10.608 7.520 ( -3.653 1.511 -0.000) 3.953 7.567 ( -4.742 -2.810 0.000) 5.512 8.115 ( -5.044 7.745 -0.000) 9.243 8.243 ( -7.401 -4.666 0.000) 8.749 10.222 ( 1.756 3.511 0.000) 3.926 10.295 ( 0.475 -3.163 0.000) 3.199 10.341 ( -0.293 1.723 0.000) 1.747 10.373 ( -0.850 -0.999 0.000) 1.311 10.748 ( 0.625 3.864 0.000) 3.915 10.831 ( -0.884 -3.880 0.000) 3.980 13.078 ( 14.815 2.483 0.000) 15.021 13.131 ( 12.901 -2.517 0.000) 13.144 14.323 ( 4.582 21.461 0.000) 21.945 14.807 ( -9.953 -24.360 0.000) 26.315 15.339 ( -11.770 1.590 0.000) 11.876 15.371 ( -12.774 -1.490 0.000) 12.860 20.650 ( 0.749 11.259 0.000) 11.284 20.793 ( -2.859 -0.980 0.000) 3.022 21.016 ( 1.942 -2.602 0.000) 3.247 21.041 ( 0.500 -5.378 0.000) 5.401 ======================= Grid point 359 (120/120) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -0.868 -2.189 0.000) 2.355 1.980 ( -3.593 -4.759 0.000) 5.963 3.494 ( 2.506 4.392 0.000) 5.057 3.528 ( -0.874 1.243 0.000) 1.519 4.030 ( 1.647 5.678 0.000) 5.912 4.062 ( -1.610 5.617 -0.000) 5.843 4.173 ( 1.313 -6.150 0.000) 6.289 4.207 ( -2.071 -6.412 -0.000) 6.739 5.088 ( 10.721 5.579 0.000) 12.086 5.182 ( 3.293 -3.074 0.000) 4.505 5.591 ( 0.733 -1.142 -0.000) 1.357 5.606 ( -0.786 -2.613 0.000) 2.729 5.644 ( -5.252 1.303 0.000) 5.411 5.684 ( -7.854 -2.164 0.000) 8.147 6.018 ( 1.518 1.756 0.000) 2.321 6.030 ( 0.286 0.655 0.000) 0.715 6.352 ( 7.016 3.938 0.000) 8.046 6.422 ( 0.265 -2.715 0.000) 2.728 7.055 ( 0.357 1.082 -0.000) 1.139 7.092 ( -3.025 -2.373 -0.000) 3.844 7.264 ( 6.298 2.226 -0.000) 6.680 7.333 ( -0.285 -4.462 0.000) 4.471 7.479 ( -0.489 0.589 -0.000) 0.765 7.498 ( -2.294 -1.113 0.000) 2.550 8.056 ( -0.288 3.870 0.000) 3.880 8.111 ( -5.445 -1.463 0.000) 5.638 10.261 ( 1.979 2.466 0.000) 3.162 10.291 ( -0.917 -0.193 0.000) 0.937 10.342 ( 0.444 1.499 0.000) 1.563 10.356 ( -0.849 0.381 0.000) 0.931 10.767 ( 1.394 0.652 0.000) 1.539 10.801 ( -1.912 -2.428 0.000) 3.090 13.313 ( 7.600 0.791 0.000) 7.641 13.330 ( 5.838 -0.823 0.000) 5.896 14.441 ( 7.522 6.427 0.000) 9.894 14.612 ( -9.676 -9.655 0.000) 13.669 15.156 ( -5.443 0.577 0.000) 5.474 15.167 ( -6.591 -0.494 0.000) 6.609 20.678 ( 2.162 5.814 0.000) 6.203 20.732 ( -3.151 1.099 0.000) 3.337 21.045 ( 0.899 -2.465 0.000) 2.623 21.051 ( 0.225 -3.077 0.000) 3.085 =================== 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 3/26460 10.0 1030.896 837.900 841.132 0.000 0.000 -0.000 3/26460 20.0 316.752 203.854 522.045 0.000 0.000 -0.000 3/26460 30.0 118.381 70.539 280.124 0.000 0.000 -0.000 3/26460 40.0 51.235 30.310 152.055 0.000 0.000 -0.000 3/26460 50.0 27.171 16.758 95.528 0.000 0.000 -0.000 3/26460 60.0 17.029 11.038 67.266 0.000 0.000 -0.000 3/26460 70.0 12.002 8.127 51.161 0.000 0.000 -0.000 3/26460 80.0 9.168 6.436 41.047 0.000 0.000 -0.000 3/26460 90.0 7.406 5.359 34.226 0.000 0.000 -0.000 3/26460 100.0 6.227 4.628 29.367 0.000 0.000 -0.000 3/26460 110.0 5.393 4.108 25.753 0.000 0.000 -0.000 3/26460 120.0 4.777 3.726 22.970 0.000 0.000 -0.000 3/26460 130.0 4.305 3.436 20.763 0.000 0.000 -0.000 3/26460 140.0 3.933 3.211 18.971 0.000 0.000 -0.000 3/26460 150.0 3.632 3.033 17.486 0.000 0.000 -0.000 3/26460 160.0 3.384 2.888 16.234 0.000 0.000 -0.000 3/26460 170.0 3.175 2.768 15.164 0.000 0.000 -0.000 3/26460 180.0 2.997 2.666 14.237 0.000 0.000 -0.000 3/26460 190.0 2.843 2.578 13.426 0.000 0.000 -0.000 3/26460 200.0 2.707 2.501 12.710 0.000 0.000 -0.000 3/26460 210.0 2.587 2.433 12.071 0.000 0.000 -0.000 3/26460 220.0 2.480 2.370 11.498 0.000 0.000 -0.000 3/26460 230.0 2.383 2.313 10.981 0.000 0.000 -0.000 3/26460 240.0 2.295 2.260 10.511 0.000 0.000 -0.000 3/26460 250.0 2.214 2.210 10.082 0.000 0.000 -0.000 3/26460 260.0 2.139 2.163 9.689 0.000 0.000 -0.000 3/26460 270.0 2.071 2.118 9.327 0.000 0.000 -0.000 3/26460 280.0 2.007 2.076 8.992 0.000 0.000 -0.000 3/26460 290.0 1.947 2.035 8.681 0.000 0.000 -0.000 3/26460 300.0 1.891 1.996 8.392 0.000 0.000 -0.000 3/26460 310.0 1.838 1.958 8.123 0.000 0.000 -0.000 3/26460 320.0 1.789 1.921 7.871 0.000 0.000 -0.000 3/26460 330.0 1.742 1.886 7.634 0.000 0.000 -0.000 3/26460 340.0 1.698 1.851 7.412 0.000 0.000 -0.000 3/26460 350.0 1.656 1.818 7.202 0.000 0.000 -0.000 3/26460 360.0 1.616 1.786 7.005 0.000 0.000 -0.000 3/26460 370.0 1.578 1.754 6.818 0.000 0.000 -0.000 3/26460 380.0 1.542 1.724 6.641 0.000 0.000 -0.000 3/26460 390.0 1.507 1.694 6.473 0.000 0.000 -0.000 3/26460 400.0 1.474 1.665 6.314 0.000 0.000 -0.000 3/26460 410.0 1.442 1.637 6.162 0.000 0.000 -0.000 3/26460 420.0 1.412 1.610 6.018 0.000 0.000 -0.000 3/26460 430.0 1.383 1.584 5.880 0.000 0.000 -0.000 3/26460 440.0 1.355 1.558 5.748 0.000 0.000 -0.000 3/26460 450.0 1.328 1.533 5.623 0.000 0.000 -0.000 3/26460 460.0 1.303 1.508 5.503 0.000 0.000 -0.000 3/26460 470.0 1.278 1.485 5.387 0.000 0.000 -0.000 3/26460 480.0 1.254 1.461 5.277 0.000 0.000 -0.000 3/26460 490.0 1.231 1.439 5.171 0.000 0.000 -0.000 3/26460 500.0 1.209 1.417 5.069 0.000 0.000 -0.000 3/26460 510.0 1.187 1.395 4.971 0.000 0.000 -0.000 3/26460 520.0 1.166 1.375 4.877 0.000 0.000 -0.000 3/26460 530.0 1.146 1.354 4.787 0.000 0.000 -0.000 3/26460 540.0 1.127 1.335 4.699 0.000 0.000 -0.000 3/26460 550.0 1.108 1.315 4.615 0.000 0.000 -0.000 3/26460 560.0 1.090 1.296 4.534 0.000 0.000 -0.000 3/26460 570.0 1.072 1.278 4.456 0.000 0.000 -0.000 3/26460 580.0 1.055 1.260 4.380 0.000 0.000 -0.000 3/26460 590.0 1.039 1.243 4.307 0.000 0.000 -0.000 3/26460 600.0 1.023 1.226 4.236 0.000 0.000 -0.000 3/26460 610.0 1.007 1.209 4.167 0.000 0.000 -0.000 3/26460 620.0 0.992 1.193 4.101 0.000 0.000 -0.000 3/26460 630.0 0.978 1.177 4.037 0.000 0.000 -0.000 3/26460 640.0 0.963 1.162 3.975 0.000 0.000 -0.000 3/26460 650.0 0.950 1.147 3.914 0.000 0.000 -0.000 3/26460 660.0 0.936 1.132 3.856 0.000 0.000 -0.000 3/26460 670.0 0.923 1.118 3.799 0.000 0.000 -0.000 3/26460 680.0 0.910 1.104 3.744 0.000 0.000 -0.000 3/26460 690.0 0.898 1.090 3.690 0.000 0.000 -0.000 3/26460 700.0 0.886 1.076 3.638 0.000 0.000 -0.000 3/26460 710.0 0.874 1.063 3.587 0.000 0.000 -0.000 3/26460 720.0 0.863 1.051 3.538 0.000 0.000 -0.000 3/26460 730.0 0.852 1.038 3.490 0.000 0.000 -0.000 3/26460 740.0 0.841 1.026 3.443 0.000 0.000 -0.000 3/26460 750.0 0.830 1.014 3.398 0.000 0.000 -0.000 3/26460 760.0 0.820 1.002 3.354 0.000 0.000 -0.000 3/26460 770.0 0.810 0.991 3.311 0.000 0.000 -0.000 3/26460 780.0 0.800 0.979 3.269 0.000 0.000 -0.000 3/26460 790.0 0.790 0.968 3.228 0.000 0.000 -0.000 3/26460 800.0 0.781 0.958 3.188 0.000 0.000 -0.000 3/26460 810.0 0.772 0.947 3.149 0.000 0.000 -0.000 3/26460 820.0 0.763 0.937 3.111 0.000 0.000 -0.000 3/26460 830.0 0.754 0.927 3.074 0.000 0.000 -0.000 3/26460 840.0 0.745 0.917 3.037 0.000 0.000 -0.000 3/26460 850.0 0.737 0.907 3.002 0.000 0.000 -0.000 3/26460 860.0 0.729 0.897 2.967 0.000 0.000 -0.000 3/26460 870.0 0.721 0.888 2.934 0.000 0.000 -0.000 3/26460 880.0 0.713 0.879 2.901 0.000 0.000 -0.000 3/26460 890.0 0.705 0.870 2.868 0.000 0.000 -0.000 3/26460 900.0 0.697 0.861 2.837 0.000 0.000 -0.000 3/26460 910.0 0.690 0.853 2.806 0.000 0.000 -0.000 3/26460 920.0 0.683 0.844 2.775 0.000 0.000 -0.000 3/26460 930.0 0.676 0.836 2.746 0.000 0.000 -0.000 3/26460 940.0 0.669 0.828 2.717 0.000 0.000 -0.000 3/26460 950.0 0.662 0.820 2.689 0.000 0.000 -0.000 3/26460 960.0 0.655 0.812 2.661 0.000 0.000 -0.000 3/26460 970.0 0.649 0.804 2.633 0.000 0.000 -0.000 3/26460 980.0 0.643 0.796 2.607 0.000 0.000 -0.000 3/26460 990.0 0.636 0.789 2.581 0.000 0.000 -0.000 3/26460 1000.0 0.630 0.782 2.555 0.000 0.000 -0.000 3/26460 Thermal conductivity related properties were written into "kappa-m9514.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:59:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|