----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:31:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.830928790000000 2.866273970000000 4.033425775000000 b 2.830928790000000 -2.866273970000000 4.033425775000000 c 2.830928790000000 2.866273970000000 -4.033425775000000 Atomic positions (fractional): *1 Al 0.38484373867040 0.63484373867040 0.75000000000000 26.982 *2 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 3 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 4 Al 0.61515626132960 0.36515626132960 0.25000000000000 26.982 *5 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *7 O 0.26482149160336 0.76574181204790 0.49907967955546 15.999 8 O 0.76666213249244 0.76574181204790 0.00092032044454 15.999 *9 O 0.25345692276192 0.76808113369077 0.01462421092886 15.999 10 O 0.25345692276192 0.23883271183306 0.48537578907114 15.999 11 O 0.74654307723808 0.76116728816694 0.51462421092886 15.999 12 O 0.23333786750756 0.23425818795210 0.99907967955546 15.999 13 O 0.74654307723808 0.23191886630923 0.98537578907114 15.999 14 O 0.73517850839664 0.23425818795210 0.50092032044454 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.661857580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.732547939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.066851550000001 Atomic positions (fractional): *1 Al 0.50000000000000 0.25000000000000 0.13484373867040 26.982 > 1 *2 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 2 3 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 3 4 Al 0.50000000000000 0.75000000000000 0.86515626132960 26.982 > 4 5 Al 0.00000000000000 0.75000000000000 0.63484373867040 26.982 > 1 6 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 2 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 3 8 Al 0.00000000000000 0.25000000000000 0.36515626132960 26.982 > 4 *9 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 5 10 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 6 11 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 5 12 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 6 *13 O 0.00000000000000 0.49907967955546 0.76574181204790 15.999 > 7 14 O 0.50000000000000 0.50092032044454 0.26574181204790 15.999 > 8 *15 O 0.76462421092886 0.25000000000000 0.00345692276192 15.999 > 9 16 O 0.23537578907115 0.25000000000000 0.00345692276192 15.999 > 10 17 O 0.76462421092886 0.75000000000000 0.99654307723808 15.999 > 11 18 O 0.50000000000000 0.49907967955546 0.73425818795210 15.999 > 12 19 O 0.23537578907115 0.75000000000000 0.99654307723808 15.999 > 13 20 O 0.00000000000000 0.50092032044454 0.23425818795210 15.999 > 14 21 O 0.50000000000000 0.99907967955546 0.26574181204790 15.999 > 7 22 O 0.00000000000000 0.00092032044454 0.76574181204790 15.999 > 8 23 O 0.26462421092886 0.75000000000000 0.50345692276192 15.999 > 9 24 O 0.73537578907114 0.75000000000000 0.50345692276192 15.999 > 10 25 O 0.26462421092886 0.25000000000000 0.49654307723808 15.999 > 11 26 O 0.00000000000000 0.99907967955546 0.23425818795210 15.999 > 12 27 O 0.73537578907114 0.25000000000000 0.49654307723808 15.999 > 13 28 O 0.50000000000000 0.00092032044454 0.73425818795210 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.323715160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.465095879999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.066851550000001 Atomic positions (fractional): *1 Al 0.25000000000000 0.12500000000000 0.13484373867040 26.982 > 1 2 Al 0.75000000000000 0.12500000000000 0.13484373867040 26.982 > 1 3 Al 0.25000000000000 0.62500000000000 0.13484373867040 26.982 > 1 4 Al 0.75000000000000 0.62500000000000 0.13484373867040 26.982 > 1 *5 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 2 6 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 2 7 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 2 8 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 2 9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 3 10 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 3 11 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 3 12 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 3 13 Al 0.25000000000000 0.37500000000000 0.86515626132960 26.982 > 4 14 Al 0.75000000000000 0.37500000000000 0.86515626132960 26.982 > 4 15 Al 0.25000000000000 0.87500000000000 0.86515626132960 26.982 > 4 16 Al 0.75000000000000 0.87500000000000 0.86515626132960 26.982 > 4 17 Al 0.00000000000000 0.37500000000000 0.63484373867040 26.982 > 1 18 Al 0.50000000000000 0.37500000000000 0.63484373867040 26.982 > 1 19 Al 0.00000000000000 0.87500000000000 0.63484373867040 26.982 > 1 20 Al 0.50000000000000 0.87500000000000 0.63484373867040 26.982 > 1 21 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 2 22 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 2 23 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 2 24 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 2 25 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 3 26 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 3 27 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 3 28 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 3 29 Al 0.00000000000000 0.12500000000000 0.36515626132960 26.982 > 4 30 Al 0.50000000000000 0.12500000000000 0.36515626132960 26.982 > 4 31 Al 0.00000000000000 0.62500000000000 0.36515626132960 26.982 > 4 32 Al 0.50000000000000 0.62500000000000 0.36515626132960 26.982 > 4 *33 Mg 0.37500000000000 0.12500000000000 0.75000000000000 24.305 > 5 34 Mg 0.87500000000000 0.12500000000000 0.75000000000000 24.305 > 5 35 Mg 0.37500000000000 0.62500000000000 0.75000000000000 24.305 > 5 36 Mg 0.87500000000000 0.62500000000000 0.75000000000000 24.305 > 5 37 Mg 0.12500000000000 0.12500000000000 0.75000000000000 24.305 > 6 38 Mg 0.62500000000000 0.12500000000000 0.75000000000000 24.305 > 6 39 Mg 0.12500000000000 0.62500000000000 0.75000000000000 24.305 > 6 40 Mg 0.62500000000000 0.62500000000000 0.75000000000000 24.305 > 6 41 Mg 0.12500000000000 0.37500000000000 0.25000000000000 24.305 > 5 42 Mg 0.62500000000000 0.37500000000000 0.25000000000000 24.305 > 5 43 Mg 0.12500000000000 0.87500000000000 0.25000000000000 24.305 > 5 44 Mg 0.62500000000000 0.87500000000000 0.25000000000000 24.305 > 5 45 Mg 0.37500000000000 0.37500000000000 0.25000000000000 24.305 > 6 46 Mg 0.87500000000000 0.37500000000000 0.25000000000000 24.305 > 6 47 Mg 0.37500000000000 0.87500000000000 0.25000000000000 24.305 > 6 48 Mg 0.87500000000000 0.87500000000000 0.25000000000000 24.305 > 6 *49 O 0.00000000000000 0.24953983977773 0.76574181204790 15.999 > 7 50 O 0.50000000000000 0.24953983977773 0.76574181204790 15.999 > 7 51 O 0.00000000000000 0.74953983977773 0.76574181204790 15.999 > 7 52 O 0.50000000000000 0.74953983977773 0.76574181204790 15.999 > 7 53 O 0.25000000000000 0.25046016022227 0.26574181204790 15.999 > 8 54 O 0.75000000000000 0.25046016022227 0.26574181204790 15.999 > 8 55 O 0.25000000000000 0.75046016022227 0.26574181204790 15.999 > 8 56 O 0.75000000000000 0.75046016022227 0.26574181204790 15.999 > 8 *57 O 0.38231210546443 0.12500000000000 0.00345692276192 15.999 > 9 58 O 0.88231210546443 0.12500000000000 0.00345692276192 15.999 > 9 59 O 0.38231210546443 0.62500000000000 0.00345692276192 15.999 > 9 60 O 0.88231210546443 0.62500000000000 0.00345692276192 15.999 > 9 61 O 0.11768789453557 0.12500000000000 0.00345692276192 15.999 > 10 62 O 0.61768789453557 0.12500000000000 0.00345692276192 15.999 > 10 63 O 0.11768789453557 0.62500000000000 0.00345692276192 15.999 > 10 64 O 0.61768789453557 0.62500000000000 0.00345692276192 15.999 > 10 65 O 0.38231210546443 0.37500000000000 0.99654307723808 15.999 > 11 66 O 0.88231210546443 0.37500000000000 0.99654307723808 15.999 > 11 67 O 0.38231210546443 0.87500000000000 0.99654307723808 15.999 > 11 68 O 0.88231210546443 0.87500000000000 0.99654307723808 15.999 > 11 69 O 0.25000000000000 0.24953983977773 0.73425818795210 15.999 > 12 70 O 0.75000000000000 0.24953983977773 0.73425818795210 15.999 > 12 71 O 0.25000000000000 0.74953983977773 0.73425818795210 15.999 > 12 72 O 0.75000000000000 0.74953983977773 0.73425818795210 15.999 > 12 73 O 0.11768789453557 0.37500000000000 0.99654307723808 15.999 > 13 74 O 0.61768789453557 0.37500000000000 0.99654307723808 15.999 > 13 75 O 0.11768789453557 0.87500000000000 0.99654307723808 15.999 > 13 76 O 0.61768789453557 0.87500000000000 0.99654307723808 15.999 > 13 77 O 0.00000000000000 0.25046016022227 0.23425818795210 15.999 > 14 78 O 0.50000000000000 0.25046016022227 0.23425818795210 15.999 > 14 79 O 0.00000000000000 0.75046016022227 0.23425818795210 15.999 > 14 80 O 0.50000000000000 0.75046016022227 0.23425818795210 15.999 > 14 81 O 0.25000000000000 0.49953983977773 0.26574181204790 15.999 > 7 82 O 0.75000000000000 0.49953983977773 0.26574181204790 15.999 > 7 83 O 0.25000000000000 0.99953983977773 0.26574181204790 15.999 > 7 84 O 0.75000000000000 0.99953983977773 0.26574181204790 15.999 > 7 85 O 0.00000000000000 0.00046016022227 0.76574181204790 15.999 > 8 86 O 0.50000000000000 0.00046016022227 0.76574181204790 15.999 > 8 87 O 0.00000000000000 0.50046016022227 0.76574181204790 15.999 > 8 88 O 0.50000000000000 0.50046016022227 0.76574181204790 15.999 > 8 89 O 0.13231210546443 0.37500000000000 0.50345692276192 15.999 > 9 90 O 0.63231210546443 0.37500000000000 0.50345692276192 15.999 > 9 91 O 0.13231210546443 0.87500000000000 0.50345692276192 15.999 > 9 92 O 0.63231210546443 0.87500000000000 0.50345692276192 15.999 > 9 93 O 0.36768789453557 0.37500000000000 0.50345692276192 15.999 > 10 94 O 0.86768789453557 0.37500000000000 0.50345692276192 15.999 > 10 95 O 0.36768789453557 0.87500000000000 0.50345692276192 15.999 > 10 96 O 0.86768789453557 0.87500000000000 0.50345692276192 15.999 > 10 97 O 0.13231210546443 0.12500000000000 0.49654307723808 15.999 > 11 98 O 0.63231210546443 0.12500000000000 0.49654307723808 15.999 > 11 99 O 0.13231210546443 0.62500000000000 0.49654307723808 15.999 > 11 100 O 0.63231210546443 0.62500000000000 0.49654307723808 15.999 > 11 101 O 0.00000000000000 0.49953983977773 0.23425818795210 15.999 > 12 102 O 0.50000000000000 0.49953983977773 0.23425818795210 15.999 > 12 103 O 0.00000000000000 0.99953983977773 0.23425818795210 15.999 > 12 104 O 0.50000000000000 0.99953983977773 0.23425818795210 15.999 > 12 105 O 0.36768789453557 0.12500000000000 0.49654307723808 15.999 > 13 106 O 0.86768789453557 0.12500000000000 0.49654307723808 15.999 > 13 107 O 0.36768789453557 0.62500000000000 0.49654307723808 15.999 > 13 108 O 0.86768789453557 0.62500000000000 0.49654307723808 15.999 > 13 109 O 0.25000000000000 0.00046016022227 0.73425818795210 15.999 > 14 110 O 0.75000000000000 0.00046016022227 0.73425818795210 15.999 > 14 111 O 0.25000000000000 0.50046016022227 0.73425818795210 15.999 > 14 112 O 0.75000000000000 0.50046016022227 0.73425818795210 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1921059 0.0000000 0.0000000 0.0000000 3.1838366 0.0000000 0.0000000 0.0000000 3.1731872 -------------------------- Born effective charges -------------------------- 1 Al 2.9501794 0.0000000 0.0000000 0.0000000 2.6369993 0.0000000 0.0000000 0.0000000 2.8101562 2 Al 2.7829360 0.0000000 0.0000000 0.0000000 3.0616580 -0.1232258 0.0000000 -0.1164488 2.9304156 3 Al 2.7829360 0.0000000 0.0000000 0.0000000 3.0616580 0.1232258 0.0000000 0.1164488 2.9304156 4 Al 2.9501794 0.0000000 0.0000000 0.0000000 2.6369993 0.0000000 0.0000000 0.0000000 2.8101562 5 Mg 1.9155521 0.0000000 0.1097204 0.0000000 2.0107338 0.0000000 0.1138333 0.0000000 1.9491400 6 Mg 1.9155521 0.0000000 -0.1097204 0.0000000 2.0107338 0.0000000 -0.1138333 0.0000000 1.9491400 7 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 0.2027100 0.0000000 0.2256415 -2.0578607 8 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 -0.2027100 0.0000000 -0.2256415 -2.0578607 9 O -2.1721690 0.0000000 0.2453762 0.0000000 -1.8958613 0.0000000 0.2174504 0.0000000 -1.7869953 10 O -2.1721690 0.0000000 -0.2453762 0.0000000 -1.8958613 0.0000000 -0.2174504 0.0000000 -1.7869953 11 O -2.1721690 0.0000000 -0.2453762 0.0000000 -1.8958613 0.0000000 -0.2174504 0.0000000 -1.7869953 12 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 -0.2027100 0.0000000 -0.2256415 -2.0578607 13 O -2.1721690 0.0000000 0.2453762 0.0000000 -1.8958613 0.0000000 0.2174504 0.0000000 -1.7869953 14 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 0.2027100 0.0000000 0.2256415 -2.0578607 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.090 Solver_block: 200 / 240 - Time: 1.067 Solver_block: 240 / 240 - Time: 0.497 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.671 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:31:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:31:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.830928790000000 2.866273970000000 4.033425775000000 b 2.830928790000000 -2.866273970000000 4.033425775000000 c 2.830928790000000 2.866273970000000 -4.033425775000000 Atomic positions (fractional): 1 Al 0.38484373867040 0.63484373867040 0.75000000000000 26.982 2 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 3 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 4 Al 0.61515626132960 0.36515626132960 0.25000000000000 26.982 5 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 7 O 0.26482149160336 0.76574181204790 0.49907967955546 15.999 8 O 0.76666213249244 0.76574181204790 0.00092032044454 15.999 9 O 0.25345692276192 0.76808113369077 0.01462421092886 15.999 10 O 0.25345692276192 0.23883271183306 0.48537578907114 15.999 11 O 0.74654307723808 0.76116728816694 0.51462421092886 15.999 12 O 0.23333786750756 0.23425818795210 0.99907967955546 15.999 13 O 0.74654307723808 0.23191886630923 0.98537578907114 15.999 14 O 0.73517850839664 0.23425818795210 0.50092032044454 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.323715160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.465095879999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.066851550000001 Atomic positions (fractional): 1 Al 0.25000000000000 0.12500000000000 0.13484373867040 26.982 > 1 2 Al 0.75000000000000 0.12500000000000 0.13484373867040 26.982 > 1 3 Al 0.25000000000000 0.62500000000000 0.13484373867040 26.982 > 1 4 Al 0.75000000000000 0.62500000000000 0.13484373867040 26.982 > 1 5 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 5 6 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 5 7 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 5 8 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 5 9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 9 10 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 9 11 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 9 12 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 9 13 Al 0.25000000000000 0.37500000000000 0.86515626132960 26.982 > 13 14 Al 0.75000000000000 0.37500000000000 0.86515626132960 26.982 > 13 15 Al 0.25000000000000 0.87500000000000 0.86515626132960 26.982 > 13 16 Al 0.75000000000000 0.87500000000000 0.86515626132960 26.982 > 13 17 Al 0.00000000000000 0.37500000000000 0.63484373867040 26.982 > 1 18 Al 0.50000000000000 0.37500000000000 0.63484373867040 26.982 > 1 19 Al 0.00000000000000 0.87500000000000 0.63484373867040 26.982 > 1 20 Al 0.50000000000000 0.87500000000000 0.63484373867040 26.982 > 1 21 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 5 22 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 5 23 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 5 24 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 5 25 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 9 26 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 9 27 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 9 28 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 9 29 Al 0.00000000000000 0.12500000000000 0.36515626132960 26.982 > 13 30 Al 0.50000000000000 0.12500000000000 0.36515626132960 26.982 > 13 31 Al 0.00000000000000 0.62500000000000 0.36515626132960 26.982 > 13 32 Al 0.50000000000000 0.62500000000000 0.36515626132960 26.982 > 13 33 Mg 0.37500000000000 0.12500000000000 0.75000000000000 24.305 > 33 34 Mg 0.87500000000000 0.12500000000000 0.75000000000000 24.305 > 33 35 Mg 0.37500000000000 0.62500000000000 0.75000000000000 24.305 > 33 36 Mg 0.87500000000000 0.62500000000000 0.75000000000000 24.305 > 33 37 Mg 0.12500000000000 0.12500000000000 0.75000000000000 24.305 > 37 38 Mg 0.62500000000000 0.12500000000000 0.75000000000000 24.305 > 37 39 Mg 0.12500000000000 0.62500000000000 0.75000000000000 24.305 > 37 40 Mg 0.62500000000000 0.62500000000000 0.75000000000000 24.305 > 37 41 Mg 0.12500000000000 0.37500000000000 0.25000000000000 24.305 > 33 42 Mg 0.62500000000000 0.37500000000000 0.25000000000000 24.305 > 33 43 Mg 0.12500000000000 0.87500000000000 0.25000000000000 24.305 > 33 44 Mg 0.62500000000000 0.87500000000000 0.25000000000000 24.305 > 33 45 Mg 0.37500000000000 0.37500000000000 0.25000000000000 24.305 > 37 46 Mg 0.87500000000000 0.37500000000000 0.25000000000000 24.305 > 37 47 Mg 0.37500000000000 0.87500000000000 0.25000000000000 24.305 > 37 48 Mg 0.87500000000000 0.87500000000000 0.25000000000000 24.305 > 37 49 O 0.00000000000000 0.24953983977773 0.76574181204790 15.999 > 49 50 O 0.50000000000000 0.24953983977773 0.76574181204790 15.999 > 49 51 O 0.00000000000000 0.74953983977773 0.76574181204790 15.999 > 49 52 O 0.50000000000000 0.74953983977773 0.76574181204790 15.999 > 49 53 O 0.25000000000000 0.25046016022227 0.26574181204790 15.999 > 53 54 O 0.75000000000000 0.25046016022227 0.26574181204790 15.999 > 53 55 O 0.25000000000000 0.75046016022227 0.26574181204790 15.999 > 53 56 O 0.75000000000000 0.75046016022227 0.26574181204790 15.999 > 53 57 O 0.38231210546443 0.12500000000000 0.00345692276192 15.999 > 57 58 O 0.88231210546443 0.12500000000000 0.00345692276192 15.999 > 57 59 O 0.38231210546443 0.62500000000000 0.00345692276192 15.999 > 57 60 O 0.88231210546443 0.62500000000000 0.00345692276192 15.999 > 57 61 O 0.11768789453557 0.12500000000000 0.00345692276192 15.999 > 61 62 O 0.61768789453557 0.12500000000000 0.00345692276192 15.999 > 61 63 O 0.11768789453557 0.62500000000000 0.00345692276192 15.999 > 61 64 O 0.61768789453557 0.62500000000000 0.00345692276192 15.999 > 61 65 O 0.38231210546443 0.37500000000000 0.99654307723808 15.999 > 65 66 O 0.88231210546443 0.37500000000000 0.99654307723808 15.999 > 65 67 O 0.38231210546443 0.87500000000000 0.99654307723808 15.999 > 65 68 O 0.88231210546443 0.87500000000000 0.99654307723808 15.999 > 65 69 O 0.25000000000000 0.24953983977773 0.73425818795210 15.999 > 69 70 O 0.75000000000000 0.24953983977773 0.73425818795210 15.999 > 69 71 O 0.25000000000000 0.74953983977773 0.73425818795210 15.999 > 69 72 O 0.75000000000000 0.74953983977773 0.73425818795210 15.999 > 69 73 O 0.11768789453557 0.37500000000000 0.99654307723808 15.999 > 73 74 O 0.61768789453557 0.37500000000000 0.99654307723808 15.999 > 73 75 O 0.11768789453557 0.87500000000000 0.99654307723808 15.999 > 73 76 O 0.61768789453557 0.87500000000000 0.99654307723808 15.999 > 73 77 O 0.00000000000000 0.25046016022227 0.23425818795210 15.999 > 77 78 O 0.50000000000000 0.25046016022227 0.23425818795210 15.999 > 77 79 O 0.00000000000000 0.75046016022227 0.23425818795210 15.999 > 77 80 O 0.50000000000000 0.75046016022227 0.23425818795210 15.999 > 77 81 O 0.25000000000000 0.49953983977773 0.26574181204790 15.999 > 49 82 O 0.75000000000000 0.49953983977773 0.26574181204790 15.999 > 49 83 O 0.25000000000000 0.99953983977773 0.26574181204790 15.999 > 49 84 O 0.75000000000000 0.99953983977773 0.26574181204790 15.999 > 49 85 O 0.00000000000000 0.00046016022227 0.76574181204790 15.999 > 53 86 O 0.50000000000000 0.00046016022227 0.76574181204790 15.999 > 53 87 O 0.00000000000000 0.50046016022227 0.76574181204790 15.999 > 53 88 O 0.50000000000000 0.50046016022227 0.76574181204790 15.999 > 53 89 O 0.13231210546443 0.37500000000000 0.50345692276192 15.999 > 57 90 O 0.63231210546443 0.37500000000000 0.50345692276192 15.999 > 57 91 O 0.13231210546443 0.87500000000000 0.50345692276192 15.999 > 57 92 O 0.63231210546443 0.87500000000000 0.50345692276192 15.999 > 57 93 O 0.36768789453557 0.37500000000000 0.50345692276192 15.999 > 61 94 O 0.86768789453557 0.37500000000000 0.50345692276192 15.999 > 61 95 O 0.36768789453557 0.87500000000000 0.50345692276192 15.999 > 61 96 O 0.86768789453557 0.87500000000000 0.50345692276192 15.999 > 61 97 O 0.13231210546443 0.12500000000000 0.49654307723808 15.999 > 65 98 O 0.63231210546443 0.12500000000000 0.49654307723808 15.999 > 65 99 O 0.13231210546443 0.62500000000000 0.49654307723808 15.999 > 65 100 O 0.63231210546443 0.62500000000000 0.49654307723808 15.999 > 65 101 O 0.00000000000000 0.49953983977773 0.23425818795210 15.999 > 69 102 O 0.50000000000000 0.49953983977773 0.23425818795210 15.999 > 69 103 O 0.00000000000000 0.99953983977773 0.23425818795210 15.999 > 69 104 O 0.50000000000000 0.99953983977773 0.23425818795210 15.999 > 69 105 O 0.36768789453557 0.12500000000000 0.49654307723808 15.999 > 73 106 O 0.86768789453557 0.12500000000000 0.49654307723808 15.999 > 73 107 O 0.36768789453557 0.62500000000000 0.49654307723808 15.999 > 73 108 O 0.86768789453557 0.62500000000000 0.49654307723808 15.999 > 73 109 O 0.25000000000000 0.00046016022227 0.73425818795210 15.999 > 77 110 O 0.75000000000000 0.00046016022227 0.73425818795210 15.999 > 77 111 O 0.25000000000000 0.50046016022227 0.73425818795210 15.999 > 77 112 O 0.75000000000000 0.50046016022227 0.73425818795210 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1921059 0.0000000 0.0000000 0.0000000 3.1838366 0.0000000 0.0000000 0.0000000 3.1731872 -------------------------- Born effective charges -------------------------- 1 Al 2.9501794 0.0000000 0.0000000 0.0000000 2.6369993 0.0000000 0.0000000 0.0000000 2.8101562 2 Al 2.7829360 0.0000000 0.0000000 0.0000000 3.0616580 -0.1232258 0.0000000 -0.1164488 2.9304156 3 Al 2.7829360 0.0000000 0.0000000 0.0000000 3.0616580 0.1232258 0.0000000 0.1164488 2.9304156 4 Al 2.9501794 0.0000000 0.0000000 0.0000000 2.6369993 0.0000000 0.0000000 0.0000000 2.8101562 5 Mg 1.9155521 0.0000000 0.1097204 0.0000000 2.0107338 0.0000000 0.1138333 0.0000000 1.9491400 6 Mg 1.9155521 0.0000000 -0.1097204 0.0000000 2.0107338 0.0000000 -0.1138333 0.0000000 1.9491400 7 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 0.2027100 0.0000000 0.2256415 -2.0578607 8 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 -0.2027100 0.0000000 -0.2256415 -2.0578607 9 O -2.1721690 0.0000000 0.2453762 0.0000000 -1.8958613 0.0000000 0.2174504 0.0000000 -1.7869953 10 O -2.1721690 0.0000000 -0.2453762 0.0000000 -1.8958613 0.0000000 -0.2174504 0.0000000 -1.7869953 11 O -2.1721690 0.0000000 -0.2453762 0.0000000 -1.8958613 0.0000000 -0.2174504 0.0000000 -1.7869953 12 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 -0.2027100 0.0000000 -0.2256415 -2.0578607 13 O -2.1721690 0.0000000 0.2453762 0.0000000 -1.8958613 0.0000000 0.2174504 0.0000000 -1.7869953 14 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 0.2027100 0.0000000 0.2256415 -2.0578607 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:31:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:31:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.830928790000000 2.866273970000000 4.033425775000000 b 2.830928790000000 -2.866273970000000 4.033425775000000 c 2.830928790000000 2.866273970000000 -4.033425775000000 Atomic positions (fractional): 1 Al 0.38484373867040 0.63484373867040 0.75000000000000 26.982 2 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 3 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 4 Al 0.61515626132960 0.36515626132960 0.25000000000000 26.982 5 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 7 O 0.26482149160336 0.76574181204790 0.49907967955546 15.999 8 O 0.76666213249244 0.76574181204790 0.00092032044454 15.999 9 O 0.25345692276192 0.76808113369077 0.01462421092886 15.999 10 O 0.25345692276192 0.23883271183306 0.48537578907114 15.999 11 O 0.74654307723808 0.76116728816694 0.51462421092886 15.999 12 O 0.23333786750756 0.23425818795210 0.99907967955546 15.999 13 O 0.74654307723808 0.23191886630923 0.98537578907114 15.999 14 O 0.73517850839664 0.23425818795210 0.50092032044454 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.323715160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.465095879999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.066851550000001 Atomic positions (fractional): 1 Al 0.25000000000000 0.12500000000000 0.13484373867040 26.982 > 1 2 Al 0.75000000000000 0.12500000000000 0.13484373867040 26.982 > 1 3 Al 0.25000000000000 0.62500000000000 0.13484373867040 26.982 > 1 4 Al 0.75000000000000 0.62500000000000 0.13484373867040 26.982 > 1 5 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 5 6 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 5 7 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 5 8 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 5 9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 9 10 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 9 11 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 9 12 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 9 13 Al 0.25000000000000 0.37500000000000 0.86515626132960 26.982 > 13 14 Al 0.75000000000000 0.37500000000000 0.86515626132960 26.982 > 13 15 Al 0.25000000000000 0.87500000000000 0.86515626132960 26.982 > 13 16 Al 0.75000000000000 0.87500000000000 0.86515626132960 26.982 > 13 17 Al 0.00000000000000 0.37500000000000 0.63484373867040 26.982 > 1 18 Al 0.50000000000000 0.37500000000000 0.63484373867040 26.982 > 1 19 Al 0.00000000000000 0.87500000000000 0.63484373867040 26.982 > 1 20 Al 0.50000000000000 0.87500000000000 0.63484373867040 26.982 > 1 21 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 5 22 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 5 23 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 5 24 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 5 25 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 9 26 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 9 27 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 9 28 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 9 29 Al 0.00000000000000 0.12500000000000 0.36515626132960 26.982 > 13 30 Al 0.50000000000000 0.12500000000000 0.36515626132960 26.982 > 13 31 Al 0.00000000000000 0.62500000000000 0.36515626132960 26.982 > 13 32 Al 0.50000000000000 0.62500000000000 0.36515626132960 26.982 > 13 33 Mg 0.37500000000000 0.12500000000000 0.75000000000000 24.305 > 33 34 Mg 0.87500000000000 0.12500000000000 0.75000000000000 24.305 > 33 35 Mg 0.37500000000000 0.62500000000000 0.75000000000000 24.305 > 33 36 Mg 0.87500000000000 0.62500000000000 0.75000000000000 24.305 > 33 37 Mg 0.12500000000000 0.12500000000000 0.75000000000000 24.305 > 37 38 Mg 0.62500000000000 0.12500000000000 0.75000000000000 24.305 > 37 39 Mg 0.12500000000000 0.62500000000000 0.75000000000000 24.305 > 37 40 Mg 0.62500000000000 0.62500000000000 0.75000000000000 24.305 > 37 41 Mg 0.12500000000000 0.37500000000000 0.25000000000000 24.305 > 33 42 Mg 0.62500000000000 0.37500000000000 0.25000000000000 24.305 > 33 43 Mg 0.12500000000000 0.87500000000000 0.25000000000000 24.305 > 33 44 Mg 0.62500000000000 0.87500000000000 0.25000000000000 24.305 > 33 45 Mg 0.37500000000000 0.37500000000000 0.25000000000000 24.305 > 37 46 Mg 0.87500000000000 0.37500000000000 0.25000000000000 24.305 > 37 47 Mg 0.37500000000000 0.87500000000000 0.25000000000000 24.305 > 37 48 Mg 0.87500000000000 0.87500000000000 0.25000000000000 24.305 > 37 49 O 0.00000000000000 0.24953983977773 0.76574181204790 15.999 > 49 50 O 0.50000000000000 0.24953983977773 0.76574181204790 15.999 > 49 51 O 0.00000000000000 0.74953983977773 0.76574181204790 15.999 > 49 52 O 0.50000000000000 0.74953983977773 0.76574181204790 15.999 > 49 53 O 0.25000000000000 0.25046016022227 0.26574181204790 15.999 > 53 54 O 0.75000000000000 0.25046016022227 0.26574181204790 15.999 > 53 55 O 0.25000000000000 0.75046016022227 0.26574181204790 15.999 > 53 56 O 0.75000000000000 0.75046016022227 0.26574181204790 15.999 > 53 57 O 0.38231210546443 0.12500000000000 0.00345692276192 15.999 > 57 58 O 0.88231210546443 0.12500000000000 0.00345692276192 15.999 > 57 59 O 0.38231210546443 0.62500000000000 0.00345692276192 15.999 > 57 60 O 0.88231210546443 0.62500000000000 0.00345692276192 15.999 > 57 61 O 0.11768789453557 0.12500000000000 0.00345692276192 15.999 > 61 62 O 0.61768789453557 0.12500000000000 0.00345692276192 15.999 > 61 63 O 0.11768789453557 0.62500000000000 0.00345692276192 15.999 > 61 64 O 0.61768789453557 0.62500000000000 0.00345692276192 15.999 > 61 65 O 0.38231210546443 0.37500000000000 0.99654307723808 15.999 > 65 66 O 0.88231210546443 0.37500000000000 0.99654307723808 15.999 > 65 67 O 0.38231210546443 0.87500000000000 0.99654307723808 15.999 > 65 68 O 0.88231210546443 0.87500000000000 0.99654307723808 15.999 > 65 69 O 0.25000000000000 0.24953983977773 0.73425818795210 15.999 > 69 70 O 0.75000000000000 0.24953983977773 0.73425818795210 15.999 > 69 71 O 0.25000000000000 0.74953983977773 0.73425818795210 15.999 > 69 72 O 0.75000000000000 0.74953983977773 0.73425818795210 15.999 > 69 73 O 0.11768789453557 0.37500000000000 0.99654307723808 15.999 > 73 74 O 0.61768789453557 0.37500000000000 0.99654307723808 15.999 > 73 75 O 0.11768789453557 0.87500000000000 0.99654307723808 15.999 > 73 76 O 0.61768789453557 0.87500000000000 0.99654307723808 15.999 > 73 77 O 0.00000000000000 0.25046016022227 0.23425818795210 15.999 > 77 78 O 0.50000000000000 0.25046016022227 0.23425818795210 15.999 > 77 79 O 0.00000000000000 0.75046016022227 0.23425818795210 15.999 > 77 80 O 0.50000000000000 0.75046016022227 0.23425818795210 15.999 > 77 81 O 0.25000000000000 0.49953983977773 0.26574181204790 15.999 > 49 82 O 0.75000000000000 0.49953983977773 0.26574181204790 15.999 > 49 83 O 0.25000000000000 0.99953983977773 0.26574181204790 15.999 > 49 84 O 0.75000000000000 0.99953983977773 0.26574181204790 15.999 > 49 85 O 0.00000000000000 0.00046016022227 0.76574181204790 15.999 > 53 86 O 0.50000000000000 0.00046016022227 0.76574181204790 15.999 > 53 87 O 0.00000000000000 0.50046016022227 0.76574181204790 15.999 > 53 88 O 0.50000000000000 0.50046016022227 0.76574181204790 15.999 > 53 89 O 0.13231210546443 0.37500000000000 0.50345692276192 15.999 > 57 90 O 0.63231210546443 0.37500000000000 0.50345692276192 15.999 > 57 91 O 0.13231210546443 0.87500000000000 0.50345692276192 15.999 > 57 92 O 0.63231210546443 0.87500000000000 0.50345692276192 15.999 > 57 93 O 0.36768789453557 0.37500000000000 0.50345692276192 15.999 > 61 94 O 0.86768789453557 0.37500000000000 0.50345692276192 15.999 > 61 95 O 0.36768789453557 0.87500000000000 0.50345692276192 15.999 > 61 96 O 0.86768789453557 0.87500000000000 0.50345692276192 15.999 > 61 97 O 0.13231210546443 0.12500000000000 0.49654307723808 15.999 > 65 98 O 0.63231210546443 0.12500000000000 0.49654307723808 15.999 > 65 99 O 0.13231210546443 0.62500000000000 0.49654307723808 15.999 > 65 100 O 0.63231210546443 0.62500000000000 0.49654307723808 15.999 > 65 101 O 0.00000000000000 0.49953983977773 0.23425818795210 15.999 > 69 102 O 0.50000000000000 0.49953983977773 0.23425818795210 15.999 > 69 103 O 0.00000000000000 0.99953983977773 0.23425818795210 15.999 > 69 104 O 0.50000000000000 0.99953983977773 0.23425818795210 15.999 > 69 105 O 0.36768789453557 0.12500000000000 0.49654307723808 15.999 > 73 106 O 0.86768789453557 0.12500000000000 0.49654307723808 15.999 > 73 107 O 0.36768789453557 0.62500000000000 0.49654307723808 15.999 > 73 108 O 0.86768789453557 0.62500000000000 0.49654307723808 15.999 > 73 109 O 0.25000000000000 0.00046016022227 0.73425818795210 15.999 > 77 110 O 0.75000000000000 0.00046016022227 0.73425818795210 15.999 > 77 111 O 0.25000000000000 0.50046016022227 0.73425818795210 15.999 > 77 112 O 0.75000000000000 0.50046016022227 0.73425818795210 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1921059 0.0000000 0.0000000 0.0000000 3.1838366 0.0000000 0.0000000 0.0000000 3.1731872 -------------------------- Born effective charges -------------------------- 1 Al 2.9501794 0.0000000 0.0000000 0.0000000 2.6369993 0.0000000 0.0000000 0.0000000 2.8101562 2 Al 2.7829360 0.0000000 0.0000000 0.0000000 3.0616580 -0.1232258 0.0000000 -0.1164488 2.9304156 3 Al 2.7829360 0.0000000 0.0000000 0.0000000 3.0616580 0.1232258 0.0000000 0.1164488 2.9304156 4 Al 2.9501794 0.0000000 0.0000000 0.0000000 2.6369993 0.0000000 0.0000000 0.0000000 2.8101562 5 Mg 1.9155521 0.0000000 0.1097204 0.0000000 2.0107338 0.0000000 0.1138333 0.0000000 1.9491400 6 Mg 1.9155521 0.0000000 -0.1097204 0.0000000 2.0107338 0.0000000 -0.1138333 0.0000000 1.9491400 7 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 0.2027100 0.0000000 0.2256415 -2.0578607 8 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 -0.2027100 0.0000000 -0.2256415 -2.0578607 9 O -2.1721690 0.0000000 0.2453762 0.0000000 -1.8958613 0.0000000 0.2174504 0.0000000 -1.7869953 10 O -2.1721690 0.0000000 -0.2453762 0.0000000 -1.8958613 0.0000000 -0.2174504 0.0000000 -1.7869953 11 O -2.1721690 0.0000000 -0.2453762 0.0000000 -1.8958613 0.0000000 -0.2174504 0.0000000 -1.7869953 12 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 -0.2027100 0.0000000 -0.2256415 -2.0578607 13 O -2.1721690 0.0000000 0.2453762 0.0000000 -1.8958613 0.0000000 0.2174504 0.0000000 -1.7869953 14 O -1.6521647 0.0000000 0.0000000 0.0000000 -1.9588342 0.2027100 0.0000000 0.2256415 -2.0578607 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 3 9 36 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 6 6 0 ] 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: 0.82, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/175) ======================= 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 7.40e-04 7.40e-04 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| -0.000 ( 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 6.815 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.197 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.589 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 0.000) 0.000 11.065 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 12.404 ( 0.000 0.000 0.000) 0.000 13.726 ( 0.000 0.000 0.000) 0.000 13.747 ( 0.000 0.000 0.000) 0.000 14.511 ( 0.000 0.000 0.000) 0.000 14.570 ( 0.000 0.000 0.000) 0.000 15.126 ( 0.000 0.000 0.000) 0.000 16.537 ( 0.000 0.000 0.000) 0.000 16.723 ( 0.000 0.000 0.000) 0.000 16.729 ( 0.000 0.000 0.000) 0.000 16.999 ( 0.000 0.000 0.000) 0.000 17.413 ( 0.000 0.000 0.000) 0.000 17.427 ( 0.000 0.000 0.000) 0.000 17.692 ( 0.000 0.000 0.000) 0.000 17.750 ( 0.000 0.000 0.000) 0.000 18.040 ( 0.000 0.000 0.000) 0.000 18.459 ( 0.000 0.000 0.000) 0.000 18.500 ( 0.000 0.000 0.000) 0.000 19.474 ( 0.000 0.000 0.000) 0.000 19.559 ( 0.000 0.000 0.000) 0.000 21.066 ( 0.000 0.000 0.000) 0.000 21.231 ( 0.000 0.000 0.000) 0.000 22.099 ( 0.000 0.000 0.000) 0.000 22.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/175) ======================= 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 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( 0.000 33.916 34.610) 48.458 3.868 ( 0.000 43.271 21.297) 48.228 6.328 ( -0.000 -10.070 -7.693) 12.672 6.655 ( -0.000 -15.278 -10.864) 18.747 6.896 ( -0.000 -23.005 -17.642) 28.990 7.152 ( 0.000 73.628 49.965) 88.981 8.257 ( 0.000 -9.961 3.371) 10.516 8.604 ( -0.000 -1.225 -8.016) 8.109 9.540 ( -0.000 8.925 -4.300) 9.907 9.851 ( 0.000 14.548 26.038) 29.826 10.165 ( 0.000 18.642 6.492) 19.740 11.041 ( 0.000 18.185 17.284) 25.088 11.293 ( -0.000 2.654 -0.490) 2.699 11.443 ( -0.000 26.186 -1.150) 26.211 11.830 ( 0.000 3.333 14.110) 14.498 11.872 ( -0.000 25.273 -11.041) 27.579 12.176 ( 0.000 2.070 9.375) 9.601 12.278 ( 0.000 17.734 14.851) 23.131 12.719 ( 0.000 14.517 25.289) 29.160 13.270 ( -0.000 -42.496 -33.749) 54.267 13.309 ( 0.000 -17.971 -1.074) 18.003 13.732 ( 0.000 -7.585 -0.484) 7.600 14.184 ( -0.000 -4.141 -6.187) 7.445 14.421 ( 0.000 -3.941 0.006) 3.941 14.944 ( -0.000 -4.976 -17.719) 18.405 15.056 ( -0.000 4.306 -6.229) 7.573 15.452 ( -0.000 -13.762 -7.446) 15.647 16.199 ( 0.000 -16.813 -2.570) 17.009 17.024 ( 0.000 -14.083 3.731) 14.569 17.266 ( -0.000 -5.619 -20.620) 21.372 17.519 ( 0.000 4.903 4.483) 6.644 17.612 ( 0.000 -4.609 1.935) 4.999 17.858 ( -0.000 4.243 -17.992) 18.486 18.079 ( 0.000 0.975 1.755) 2.007 18.449 ( 0.000 -6.027 2.372) 6.477 18.568 ( -0.000 7.572 -5.355) 9.274 19.653 ( 0.000 -8.257 11.790) 14.394 19.947 ( 0.000 -7.753 12.984) 15.122 21.543 ( -0.000 9.146 -3.295) 9.722 22.702 ( 0.000 10.423 2.943) 10.831 23.045 ( 0.000 4.940 11.160) 12.205 25.481 ( -0.000 -7.744 -7.818) 11.004 ======================= Grid point 3 (3/175) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 13.282 -33.519 -34.082) 49.613 3.592 ( 34.216 -26.439 -41.781) 60.128 5.907 ( 18.954 -64.217 -59.906) 89.843 6.616 ( 11.179 6.995 3.672) 13.689 7.051 ( 6.808 9.570 1.260) 11.811 7.367 ( 6.192 18.854 5.829) 20.683 8.404 ( -5.593 7.891 3.320) 10.226 8.710 ( 1.798 0.023 8.661) 8.846 9.273 ( -3.928 -3.793 2.077) 5.842 9.393 ( -10.850 -7.035 -12.634) 18.078 9.825 ( -1.170 -16.952 1.762) 17.083 10.766 ( 7.566 -23.396 -19.439) 31.344 11.082 ( 12.108 -20.271 -12.708) 26.814 11.319 ( -1.104 -19.715 6.078) 20.660 11.452 ( 16.848 -2.051 1.325) 17.024 11.771 ( -3.814 -7.184 -13.863) 16.073 11.891 ( -0.229 -5.717 -25.114) 25.757 12.144 ( 1.966 -6.105 -12.922) 14.426 12.550 ( 10.777 -14.187 -22.183) 28.452 13.379 ( -10.860 -10.735 7.510) 17.017 13.800 ( 4.643 9.257 -1.301) 10.437 13.991 ( 12.129 -2.384 6.110) 13.789 14.350 ( -6.118 25.935 15.016) 30.586 14.484 ( -2.049 11.211 5.780) 12.779 14.734 ( -24.683 8.495 23.373) 35.039 15.223 ( 6.333 4.030 4.677) 8.845 15.829 ( 0.839 18.750 15.616) 24.416 16.398 ( -10.985 14.325 1.377) 18.105 17.033 ( -15.328 -6.587 11.946) 20.520 17.263 ( 0.168 1.577 5.260) 5.494 17.391 ( -7.793 -2.698 2.830) 8.718 17.625 ( -4.475 8.389 -1.079) 9.569 17.749 ( -3.660 -7.287 8.468) 11.756 18.149 ( 4.456 6.385 1.640) 7.957 18.456 ( 9.926 1.668 7.576) 12.597 18.859 ( 17.822 -1.287 6.042) 18.862 19.918 ( 8.625 7.982 -13.406) 17.828 20.222 ( 0.873 21.688 -19.824) 29.396 21.329 ( -1.009 -10.699 3.525) 11.310 22.477 ( 2.781 -16.530 -3.008) 17.030 22.989 ( 2.602 -0.974 -11.382) 11.716 25.439 ( -16.555 3.651 7.833) 18.675 ======================= Grid point 4 (4/175) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 44.906 43.063 -0.000) 62.217 1.756 ( 43.174 45.155 -0.000) 62.473 2.554 ( 63.710 66.309 -0.000) 91.956 6.913 ( 1.667 2.029 -0.000) 2.626 6.929 ( 12.438 -3.783 0.000) 13.001 7.568 ( 0.907 7.911 -0.000) 7.963 8.830 ( -4.939 -17.533 0.000) 18.216 9.151 ( 2.306 -4.390 0.000) 4.959 9.303 ( 9.768 -8.440 0.000) 12.909 9.481 ( 2.702 -0.190 0.000) 2.708 9.585 ( 2.751 1.695 0.000) 3.231 9.736 ( -7.520 13.552 -0.000) 15.498 10.584 ( 10.222 15.892 -0.000) 18.896 10.771 ( -13.921 7.671 -0.000) 15.895 11.092 ( 10.082 10.924 -0.000) 14.866 11.183 ( 5.624 9.498 -0.000) 11.038 11.489 ( 11.996 -0.495 0.000) 12.006 11.501 ( 16.526 16.494 -0.000) 23.349 11.694 ( 14.282 10.809 -0.000) 17.911 13.131 ( -32.699 42.235 -0.000) 53.413 13.796 ( 9.605 -5.345 0.000) 10.991 14.200 ( 0.223 1.769 -0.000) 1.783 14.627 ( 1.141 4.556 -0.000) 4.697 15.065 ( 0.780 -3.030 0.000) 3.129 15.943 ( -29.328 -15.340 -0.000) 33.098 16.091 ( -28.856 -13.305 -0.000) 31.776 16.472 ( -4.651 -23.411 0.000) 23.869 16.668 ( -4.658 -21.222 0.000) 21.727 17.009 ( -5.867 4.939 -0.000) 7.669 17.231 ( 0.738 -6.946 0.000) 6.985 17.490 ( -2.312 -0.778 -0.000) 2.440 17.618 ( -15.619 0.214 -0.000) 15.620 18.067 ( -8.373 3.050 -0.000) 8.911 18.182 ( 5.245 19.391 -0.000) 20.088 18.938 ( 24.370 -4.499 0.000) 24.782 19.484 ( 5.972 -5.409 0.000) 8.057 19.535 ( -1.047 -1.028 0.000) 1.468 19.638 ( 68.361 -66.585 0.000) 95.430 21.296 ( -0.494 5.780 -0.000) 5.801 22.225 ( 4.765 8.723 -0.000) 9.940 22.618 ( 5.610 0.413 0.000) 5.625 25.257 ( -42.552 32.177 -0.000) 53.348 ======================= Grid point 5 (5/175) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.609 ( 26.597 38.332 20.081) 50.794 4.855 ( 12.753 39.625 7.581) 42.311 6.240 ( 18.865 -20.303 -18.260) 33.189 6.369 ( 0.178 -13.193 -14.610) 19.686 6.754 ( 17.554 -6.404 -21.190) 28.252 8.214 ( 7.571 -2.016 3.253) 8.483 8.446 ( 1.408 32.711 16.609) 36.713 8.675 ( 0.055 25.844 7.420) 26.888 9.529 ( -12.498 3.563 8.216) 15.376 9.838 ( -16.805 13.886 22.746) 31.506 10.484 ( 1.777 1.989 9.346) 9.719 11.327 ( 4.305 4.951 9.647) 11.667 11.616 ( 7.512 4.168 -10.650) 13.683 11.740 ( -5.704 -2.959 9.941) 11.837 11.801 ( -7.318 19.308 0.190) 20.650 12.033 ( 1.002 -15.644 -19.874) 25.313 12.349 ( 5.911 9.434 -3.091) 11.555 12.435 ( -1.528 -18.339 -3.390) 18.712 12.612 ( -6.265 21.101 13.452) 25.797 12.862 ( 1.632 -6.411 -7.594) 10.071 13.429 ( 13.083 5.748 7.920) 16.338 13.571 ( 5.811 -9.350 1.029) 11.057 14.012 ( 9.333 -16.259 -2.290) 18.887 14.356 ( 0.541 -1.542 -3.101) 3.506 14.694 ( -17.637 8.027 -6.175) 20.338 15.135 ( -9.669 -12.838 -0.649) 16.085 15.307 ( 5.479 2.252 -12.259) 13.616 15.831 ( -6.184 -9.092 3.338) 11.491 16.748 ( 4.426 -16.804 9.370) 19.742 17.139 ( -8.133 1.862 -9.947) 12.982 17.472 ( -1.253 -2.464 1.763) 3.278 17.631 ( 1.374 3.133 -0.260) 3.431 17.879 ( -4.285 -1.230 -14.517) 15.186 18.032 ( -7.027 2.869 -2.353) 7.946 18.260 ( 3.564 -5.541 -3.418) 7.422 19.013 ( 22.517 -0.449 2.570) 22.667 19.634 ( 6.984 -0.195 6.327) 9.425 19.864 ( -3.451 2.504 5.598) 7.037 21.662 ( 0.451 2.756 -1.862) 3.357 22.921 ( 3.981 5.998 0.320) 7.206 23.066 ( -6.455 4.261 8.267) 11.321 25.216 ( -10.370 -7.300 -2.180) 12.868 ======================= Grid point 6 (6/175) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.625 ( 15.604 -0.195 -14.174) 21.081 5.984 ( 33.993 34.167 7.418) 48.764 6.212 ( 11.100 8.648 -8.459) 16.418 6.506 ( 23.237 -7.468 -13.982) 28.129 7.097 ( 18.772 -0.273 -21.180) 28.303 8.254 ( 2.004 -9.966 8.440) 13.212 8.625 ( -10.235 1.679 -9.376) 13.982 8.976 ( 2.010 6.622 -5.927) 9.112 9.376 ( -16.903 12.697 15.993) 26.509 10.132 ( -11.570 -20.373 -4.764) 23.908 10.315 ( 7.114 33.790 22.720) 41.335 11.122 ( 4.079 -32.096 -23.839) 40.189 11.283 ( -11.547 -9.061 11.265) 18.502 11.660 ( -2.922 1.174 6.841) 7.531 11.974 ( 3.957 7.056 -0.609) 8.113 12.192 ( 8.020 -11.899 4.549) 15.053 12.252 ( -1.184 6.560 -1.177) 6.769 12.557 ( -2.147 17.537 2.292) 17.816 12.665 ( -2.648 -5.065 0.875) 5.782 12.983 ( -5.562 10.627 -4.932) 12.969 13.167 ( -5.111 -13.217 -2.953) 14.475 13.911 ( 2.255 3.076 5.387) 6.600 14.070 ( 17.519 -8.602 4.503) 20.029 14.404 ( -0.085 -0.794 -2.555) 2.677 14.631 ( -2.031 12.241 -2.974) 12.759 14.681 ( -7.576 0.091 -4.484) 8.804 15.462 ( 8.880 -0.157 -9.907) 13.305 15.640 ( -5.888 -2.238 8.936) 10.933 16.538 ( 1.642 -11.448 11.658) 16.421 16.903 ( -20.778 1.553 1.166) 20.868 17.450 ( -0.374 -1.967 0.658) 2.107 17.705 ( -1.628 3.494 -8.020) 8.898 17.744 ( 2.871 -5.859 -5.178) 8.330 18.056 ( 2.802 3.785 -8.406) 9.635 18.301 ( 8.332 -2.864 -2.172) 9.074 19.260 ( 14.882 -10.547 5.628) 19.089 19.873 ( 0.160 8.058 -0.315) 8.066 19.992 ( 4.374 16.479 1.915) 17.156 21.668 ( 1.953 -5.523 -1.102) 5.961 22.802 ( -11.562 -0.155 11.522) 16.324 23.249 ( 7.334 6.035 -7.961) 12.393 24.831 ( -15.223 -6.070 3.488) 16.756 ======================= Grid point 7 (7/175) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 33.566 -12.657 -33.903) 49.358 3.616 ( 25.800 -33.479 -42.252) 59.764 5.855 ( 60.492 -20.759 -57.519) 86.016 6.897 ( 2.073 4.058 4.364) 6.309 7.080 ( -4.419 -4.652 -4.113) 7.621 7.594 ( -5.398 -8.013 2.019) 9.871 8.422 ( 0.003 3.410 13.961) 14.371 8.740 ( -2.753 18.335 2.115) 18.661 9.240 ( 7.328 1.475 3.430) 8.225 9.397 ( 2.462 -5.282 -1.596) 6.042 9.650 ( 6.129 -3.715 -3.086) 7.803 10.633 ( 14.486 -6.499 -13.059) 20.558 10.803 ( 3.934 -10.990 -4.499) 12.510 11.356 ( 22.467 -10.287 -15.035) 28.925 11.549 ( 3.004 -4.729 -12.385) 13.593 11.717 ( 6.496 -2.541 -10.410) 12.531 12.049 ( -1.970 -1.269 -13.125) 13.332 12.116 ( 19.420 1.742 -14.321) 24.192 12.490 ( 7.688 -13.775 -18.612) 24.399 12.830 ( 2.790 -21.106 -6.990) 22.407 13.904 ( -29.188 5.987 25.461) 39.192 14.132 ( 8.133 -0.011 4.015) 9.070 14.225 ( -4.885 -1.901 -0.764) 5.297 14.544 ( -3.175 8.310 5.513) 10.466 14.883 ( -6.865 13.218 13.478) 20.087 15.410 ( -8.652 13.383 10.236) 18.940 15.981 ( -10.598 9.231 18.410) 23.162 16.327 ( -9.966 0.803 0.077) 9.998 16.556 ( -15.521 -4.115 12.097) 20.104 17.115 ( -11.304 -2.003 -0.734) 11.503 17.339 ( -2.243 0.686 -0.871) 2.502 17.452 ( -8.577 -7.137 15.574) 19.158 17.807 ( 1.454 12.865 -2.402) 13.168 18.267 ( -2.028 -1.194 -1.225) 2.653 18.770 ( 18.000 -1.040 15.666) 23.886 19.131 ( 11.073 -0.594 6.783) 12.999 20.257 ( 11.041 6.236 -14.165) 19.011 20.769 ( 1.678 28.362 -9.447) 29.941 21.154 ( -1.005 -3.517 3.638) 5.159 22.157 ( 3.779 -23.698 -0.522) 24.004 23.131 ( 11.055 1.459 -9.621) 14.728 25.039 ( -23.795 -0.049 -2.343) 23.910 ======================= Grid point 8 (8/175) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 40.456 40.501 -0.000) 57.245 3.413 ( 39.217 41.577 -0.000) 57.154 5.051 ( 62.093 63.338 -0.000) 88.698 6.992 ( 1.187 2.077 -0.000) 2.392 7.055 ( 8.852 -6.731 0.000) 11.120 7.897 ( 16.235 8.631 0.000) 18.387 8.500 ( -0.834 -7.085 0.000) 7.134 9.074 ( 4.469 -11.526 0.000) 12.362 9.282 ( -5.564 2.007 -0.000) 5.915 9.594 ( 6.552 3.660 0.000) 7.505 9.698 ( 6.944 -2.096 0.000) 7.254 9.994 ( 0.499 20.184 -0.000) 20.191 10.552 ( -18.190 4.396 -0.000) 18.714 11.071 ( 2.937 15.275 -0.000) 15.555 11.220 ( 2.462 0.707 0.000) 2.562 11.778 ( 14.199 8.866 -0.000) 16.739 11.940 ( 15.952 25.831 -0.000) 30.360 12.121 ( 13.340 16.420 -0.000) 21.155 12.478 ( 33.585 15.990 0.000) 37.198 13.369 ( -12.498 26.903 -0.000) 29.665 13.843 ( 9.315 -12.680 0.000) 15.734 14.204 ( 0.124 -3.995 0.000) 3.997 14.689 ( -12.232 3.239 -0.000) 12.653 14.867 ( -10.439 -12.610 0.000) 16.370 15.040 ( -15.770 -25.700 0.000) 30.153 15.318 ( -26.046 -5.859 -0.000) 26.697 15.848 ( -12.697 -16.295 0.000) 20.658 15.980 ( -1.633 -29.965 0.000) 30.009 16.895 ( -13.461 2.615 -0.000) 13.713 17.063 ( -19.236 -7.394 -0.000) 20.608 17.304 ( 2.745 7.162 -0.000) 7.670 17.429 ( -4.094 -2.338 -0.000) 4.714 18.084 ( -3.949 3.784 -0.000) 5.470 18.495 ( 1.686 6.136 -0.000) 6.363 19.271 ( 23.020 -9.702 0.000) 24.981 19.445 ( -4.605 -3.154 0.000) 5.582 19.486 ( 5.185 -5.332 0.000) 7.437 19.759 ( 33.026 -24.071 0.000) 40.867 21.382 ( -3.233 6.540 -0.000) 7.295 22.625 ( 10.934 15.482 -0.000) 18.954 22.683 ( 3.833 -5.658 0.000) 6.834 24.970 ( -27.721 10.293 -0.000) 29.570 ======================= Grid point 9 (9/175) ======================= q-point: (-0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.869 ( 33.214 35.329 -0.000) 48.490 4.873 ( 32.247 35.765 -0.000) 48.157 6.989 ( 3.461 -9.438 0.000) 10.053 6.989 ( -2.349 -2.586 0.000) 3.494 7.429 ( 56.399 57.906 -0.000) 80.833 8.474 ( 26.591 5.455 0.000) 27.145 8.595 ( 9.320 8.380 -0.000) 12.533 8.866 ( 1.829 -14.772 0.000) 14.884 9.093 ( -14.630 -1.227 -0.000) 14.681 9.855 ( -0.391 11.855 -0.000) 11.861 9.866 ( 10.945 0.515 0.000) 10.957 10.267 ( -8.725 -3.229 -0.000) 9.304 10.367 ( -5.542 19.081 -0.000) 19.869 11.266 ( -1.797 6.309 -0.000) 6.560 11.267 ( 1.553 0.196 0.000) 1.566 12.233 ( -11.074 3.205 -0.000) 11.529 12.297 ( 10.039 13.898 -0.000) 17.145 12.900 ( 16.231 19.935 -0.000) 25.707 13.443 ( 26.857 10.986 0.000) 29.017 13.496 ( -6.825 -21.616 0.000) 22.668 13.539 ( 1.056 -3.850 0.000) 3.993 14.058 ( -8.968 8.881 -0.000) 12.621 14.099 ( -17.579 -23.372 0.000) 29.246 14.385 ( -15.542 0.939 -0.000) 15.570 14.434 ( -9.302 -12.032 0.000) 15.208 14.803 ( 3.142 -17.882 0.000) 18.156 15.536 ( -5.651 -5.362 0.000) 7.790 15.795 ( 5.553 1.653 0.000) 5.794 16.442 ( -22.941 -8.395 -0.000) 24.428 16.743 ( -9.760 -3.482 -0.000) 10.363 17.450 ( 7.562 5.107 -0.000) 9.124 17.522 ( 3.968 6.971 -0.000) 8.021 18.036 ( -6.584 4.089 -0.000) 7.750 18.565 ( 1.104 -0.057 0.000) 1.105 19.246 ( -10.573 -0.832 -0.000) 10.606 19.359 ( 13.802 -18.171 0.000) 22.819 19.583 ( 7.492 2.533 0.000) 7.908 19.924 ( 17.466 -11.913 0.000) 21.142 21.451 ( -3.904 9.182 -0.000) 9.977 22.492 ( -2.933 -15.097 0.000) 15.379 23.189 ( 14.524 15.415 -0.000) 21.179 24.604 ( -21.395 2.269 -0.000) 21.515 ======================= Grid point 10 (10/175) ======================= q-point: (-0.67 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.644 ( 15.591 -18.861 -26.698) 36.216 6.520 ( 2.970 -3.376 0.090) 4.497 6.770 ( 17.145 -5.508 -16.496) 24.422 7.116 ( -6.740 5.460 8.514) 12.155 7.325 ( 9.658 -7.136 -18.908) 22.399 7.735 ( -3.237 7.372 5.746) 9.892 8.684 ( 15.638 3.853 -8.203) 18.075 9.234 ( -15.460 6.794 3.171) 17.182 9.408 ( -2.041 9.212 -16.392) 18.913 9.562 ( 10.618 -17.245 7.070) 21.450 10.610 ( 19.060 -18.781 -30.976) 40.933 10.673 ( -8.606 -14.942 4.310) 17.774 11.304 ( -3.021 18.986 20.678) 28.234 11.602 ( -5.597 -0.269 7.464) 9.333 11.831 ( -5.942 -10.530 -0.034) 12.091 11.962 ( -12.019 -16.355 11.780) 23.467 12.275 ( -11.746 6.430 7.468) 15.333 12.569 ( -5.991 10.727 13.630) 18.350 12.807 ( -6.006 -11.287 -2.851) 13.099 12.919 ( 19.566 12.984 8.539) 24.986 13.246 ( 9.081 13.978 -18.184) 24.668 13.872 ( -3.711 -12.198 -9.074) 15.649 14.221 ( -8.117 17.908 -3.561) 19.981 14.383 ( 18.518 -13.673 1.227) 23.051 14.612 ( -8.293 8.053 4.125) 12.274 15.076 ( 14.964 3.014 -8.911) 17.675 15.440 ( -7.409 -5.340 2.482) 9.464 15.579 ( 2.272 -2.431 4.504) 5.600 16.414 ( -5.421 -0.590 -0.518) 5.477 16.465 ( -16.416 0.621 15.583) 22.643 17.349 ( -2.731 -2.419 -4.558) 5.838 17.699 ( 1.772 -6.103 -6.370) 8.998 17.778 ( 4.685 1.204 -7.690) 9.085 18.144 ( 1.587 -2.075 -2.001) 3.291 18.531 ( 12.730 4.305 3.054) 13.781 19.315 ( 10.599 -7.738 4.627) 13.915 20.033 ( -7.177 17.170 -6.812) 19.817 20.420 ( 3.554 15.333 2.649) 15.961 21.459 ( -3.026 -14.020 -1.566) 14.428 22.777 ( 2.137 9.567 12.231) 15.675 23.412 ( 4.567 -4.260 -10.464) 12.186 24.419 ( -15.595 -3.038 6.620) 17.212 ======================= Grid point 11 (11/175) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 31.372 0.000 -34.241) 46.440 3.802 ( 41.993 0.000 -21.076) 46.985 6.716 ( -0.839 -0.000 14.615) 14.639 6.847 ( -8.850 -0.000 -0.918) 8.898 7.173 ( 59.072 0.000 -48.410) 76.375 7.203 ( -13.915 -0.000 15.113) 20.544 8.534 ( 3.555 -0.000 13.383) 13.847 8.850 ( -1.980 0.000 -7.010) 7.284 9.449 ( 3.447 0.000 -10.384) 10.941 9.545 ( 5.599 0.000 -6.435) 8.530 9.733 ( 19.010 -0.000 7.305) 20.365 10.722 ( 4.694 -0.000 4.995) 6.854 11.153 ( 22.405 0.000 -18.617) 29.130 11.619 ( 5.954 0.000 -4.240) 7.310 11.649 ( 17.992 0.000 -12.997) 22.195 11.791 ( 4.670 0.000 -10.730) 11.702 12.017 ( -6.221 0.000 -20.669) 21.585 12.136 ( 6.121 0.000 -6.814) 9.160 12.674 ( 11.275 0.000 -20.940) 23.782 12.984 ( 28.698 0.000 -2.126) 28.777 13.081 ( -45.066 -0.000 32.975) 55.841 14.218 ( -1.875 -0.000 7.400) 7.634 14.310 ( 5.391 -0.000 1.491) 5.593 14.651 ( 0.640 -0.000 4.289) 4.336 14.696 ( -14.493 -0.000 8.590) 16.848 15.240 ( -15.567 -0.000 2.780) 15.813 15.959 ( -12.266 -0.000 24.785) 27.654 16.132 ( -5.376 -0.000 8.504) 10.060 16.323 ( -6.558 -0.000 0.093) 6.559 16.700 ( -22.538 0.000 -13.688) 26.369 17.185 ( -5.629 -0.000 7.784) 9.606 17.382 ( 0.582 -0.000 11.492) 11.506 18.054 ( -8.126 0.000 -9.475) 12.482 18.076 ( 3.837 -0.000 3.363) 5.102 19.042 ( 9.337 -0.000 13.082) 16.072 19.264 ( 4.236 -0.000 2.843) 5.101 20.532 ( 9.745 0.000 -9.029) 13.285 21.077 ( -0.718 0.000 -1.469) 1.635 21.234 ( 0.359 -0.000 0.811) 0.887 21.867 ( 4.942 -0.000 5.575) 7.450 23.432 ( 15.817 0.000 -8.565) 17.987 24.603 ( -20.592 0.000 -7.912) 22.059 ======================= Grid point 12 (12/175) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( 33.802 26.859 -17.936) 46.751 4.755 ( 37.345 11.997 -6.974) 39.840 6.476 ( -17.652 4.261 25.293) 31.136 6.695 ( -11.125 8.489 10.507) 17.499 7.157 ( -1.578 9.849 15.069) 18.072 8.507 ( 18.587 1.803 -2.505) 18.841 8.667 ( 46.671 6.137 -26.439) 53.989 8.864 ( 3.299 0.211 -9.346) 9.913 9.318 ( 2.656 -8.233 -11.998) 14.792 9.646 ( -4.814 1.167 -5.179) 7.166 9.976 ( 5.458 -7.622 -1.723) 9.532 10.884 ( 2.753 11.150 1.042) 11.532 11.170 ( 7.653 -23.672 -3.449) 25.116 11.623 ( -3.607 1.176 4.028) 5.534 11.860 ( -1.684 0.275 -9.735) 9.884 11.886 ( -9.674 -1.830 8.434) 12.964 12.237 ( 8.655 8.171 -15.476) 19.524 12.258 ( -12.832 6.140 7.294) 15.987 12.525 ( 6.453 24.374 -2.171) 25.307 12.871 ( 6.614 -8.990 -11.488) 16.017 13.654 ( 13.423 18.831 2.234) 23.233 14.001 ( -8.841 -10.293 11.673) 17.899 14.287 ( -0.884 -0.723 -3.597) 3.774 14.454 ( 5.293 -7.772 3.506) 10.036 14.723 ( -0.957 -1.477 9.254) 9.420 15.045 ( -3.614 -1.656 0.089) 3.976 15.515 ( -15.782 -6.645 20.381) 26.620 15.867 ( -16.546 -7.709 -12.570) 22.164 16.143 ( 1.629 -5.518 5.654) 8.067 16.606 ( -6.173 9.658 -7.609) 13.758 17.187 ( -3.836 8.779 12.400) 15.670 17.412 ( 2.440 1.519 4.862) 5.648 17.881 ( 0.892 -3.102 -9.937) 10.449 18.120 ( -4.120 0.217 2.247) 4.698 19.074 ( -4.619 -1.042 3.913) 6.143 19.357 ( 1.015 3.344 1.761) 3.913 20.592 ( 7.995 -15.532 -6.268) 18.560 20.848 ( 1.313 -16.846 1.114) 16.934 21.118 ( -0.377 -1.338 4.828) 5.024 22.379 ( 5.834 29.136 6.228) 30.360 23.614 ( 8.972 -11.095 -10.812) 17.902 24.248 ( -12.749 0.344 -4.946) 13.680 ======================= Grid point 13 (13/175) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.017 ( 20.962 26.958 -0.000) 34.149 6.028 ( 22.767 26.114 -0.000) 34.645 6.708 ( -6.864 -16.341 0.000) 17.724 6.735 ( -10.569 -12.639 0.000) 16.476 8.638 ( 9.072 -14.158 0.000) 16.815 8.742 ( -17.957 3.702 -0.000) 18.334 9.094 ( 35.295 -5.982 0.000) 35.798 9.168 ( 7.399 26.449 -0.000) 27.465 9.522 ( 40.430 49.512 -0.000) 63.922 9.697 ( -27.143 7.647 -0.000) 28.200 9.893 ( 2.142 -17.836 0.000) 17.964 10.298 ( 18.488 -14.939 0.000) 23.769 10.529 ( -9.883 22.409 -0.000) 24.491 11.291 ( 2.135 -1.280 0.000) 2.489 11.304 ( -2.566 2.723 -0.000) 3.742 11.481 ( -41.274 -25.562 0.000) 48.549 12.625 ( 4.122 9.172 -0.000) 10.056 12.891 ( -3.380 -9.910 0.000) 10.470 13.229 ( -0.017 -13.521 0.000) 13.521 13.297 ( -11.400 -11.397 0.000) 16.120 13.693 ( 12.305 3.356 0.000) 12.754 13.748 ( -0.268 5.412 -0.000) 5.419 14.182 ( -5.507 -1.670 -0.000) 5.754 14.195 ( -5.031 3.656 -0.000) 6.219 14.774 ( 14.849 14.949 -0.000) 21.070 14.861 ( 24.983 7.580 0.000) 26.108 15.214 ( -9.435 -11.795 0.000) 15.105 15.724 ( -28.291 -13.863 -0.000) 31.505 16.059 ( 8.970 8.484 -0.000) 12.346 16.421 ( -10.551 -8.115 0.000) 13.311 17.687 ( 1.513 4.059 -0.000) 4.331 17.717 ( 5.543 -0.569 0.000) 5.572 18.149 ( 3.399 14.509 -0.000) 14.902 18.496 ( -1.582 -9.920 0.000) 10.045 19.100 ( -11.905 11.941 -0.000) 16.862 19.218 ( 8.604 -17.674 0.000) 19.657 19.791 ( 4.559 5.973 -0.000) 7.514 19.944 ( 5.227 -9.223 0.000) 10.601 21.639 ( 0.235 15.115 -0.000) 15.117 22.046 ( -5.485 -19.368 0.000) 20.129 23.747 ( 15.843 10.632 -0.000) 19.080 24.213 ( -17.346 -4.044 -0.000) 17.811 ======================= Grid point 14 (14/175) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.467 ( -3.471 -18.643 -7.215) 20.289 5.992 ( -37.527 -33.057 0.178) 50.011 6.356 ( 3.876 -9.344 -15.076) 18.155 6.775 ( 5.665 -13.792 -13.082) 19.835 7.346 ( 2.378 -8.572 -14.355) 16.888 8.403 ( 5.329 17.199 -3.845) 18.412 8.841 ( -3.565 7.343 -1.936) 8.389 9.268 ( 2.789 0.446 18.059) 18.278 9.470 ( 0.076 -12.619 6.934) 14.399 9.578 ( 9.409 15.458 -4.651) 18.684 10.177 ( -34.414 -20.738 12.426) 42.057 10.718 ( 10.921 13.426 -8.858) 19.442 11.244 ( 7.870 -13.939 -3.747) 16.440 11.336 ( -0.075 -1.852 -3.596) 4.045 11.728 ( 1.932 -1.734 -8.976) 9.344 11.865 ( -1.906 5.965 10.161) 11.936 12.307 ( -0.599 6.726 18.929) 20.097 12.471 ( -7.858 -7.266 6.207) 12.372 12.683 ( 2.598 5.110 1.276) 5.873 13.204 ( -5.107 -24.476 -1.993) 25.083 13.603 ( 8.965 11.346 -6.371) 15.802 13.839 ( 7.639 13.884 -4.881) 16.581 14.368 ( 12.562 -20.420 1.824) 24.043 14.426 ( -13.128 20.964 -4.878) 25.212 14.612 ( -3.520 5.667 -3.794) 7.674 15.069 ( -12.505 -5.675 4.286) 14.386 15.314 ( 11.168 -3.441 -17.197) 20.792 15.554 ( 3.680 -0.640 16.106) 16.534 16.158 ( -12.356 6.373 -5.426) 14.924 16.556 ( 7.824 -0.105 11.447) 13.866 17.281 ( 1.767 -4.950 -11.338) 12.497 17.549 ( -1.435 -7.671 -2.371) 8.157 17.936 ( -1.281 6.821 -2.586) 7.406 18.027 ( 0.881 -7.179 3.643) 8.098 18.865 ( 11.892 3.139 1.791) 12.429 19.378 ( 7.297 -5.170 2.819) 9.376 20.282 ( -9.978 26.554 -5.569) 28.908 20.684 ( -1.057 9.626 2.095) 9.908 21.172 ( -1.319 -7.708 -3.787) 8.689 22.959 ( 4.645 -19.061 -0.346) 19.622 23.358 ( -0.920 12.628 5.025) 13.623 24.194 ( -5.283 0.801 4.500) 6.985 ======================= Grid point 27 (15/175) ======================= q-point: (-0.14 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -0.000 -27.266 -48.301) 55.466 1.588 ( -0.000 -36.992 -41.182) 55.357 2.929 ( -0.000 -75.665 -68.700) 102.200 6.710 ( 0.000 5.054 4.804) 6.973 6.997 ( -0.000 -0.974 -7.593) 7.655 7.547 ( 0.000 -2.906 1.712) 3.373 8.855 ( -0.000 18.727 0.417) 18.731 9.001 ( 0.000 8.648 17.867) 19.850 9.195 ( -0.000 -0.713 -6.418) 6.458 9.366 ( 0.000 -2.813 4.566) 5.363 9.594 ( 0.000 -5.469 1.350) 5.633 9.920 ( -0.000 -14.264 -13.630) 19.729 10.458 ( 0.000 -17.646 0.186) 17.647 10.914 ( 0.000 -24.741 2.639) 24.882 11.207 ( -0.000 -3.569 -6.426) 7.351 11.355 ( -0.000 -4.138 -18.252) 18.715 11.364 ( -0.000 -8.020 -7.535) 11.004 11.597 ( -0.000 -8.372 -28.345) 29.556 11.713 ( -0.000 -0.838 -17.198) 17.219 13.404 ( 0.000 -56.985 41.594) 70.551 13.707 ( -0.000 3.885 -0.790) 3.964 13.789 ( -0.000 0.915 -4.890) 4.975 14.499 ( -0.000 2.036 -0.968) 2.254 15.047 ( -0.000 6.948 -0.970) 7.016 15.913 ( 0.000 7.689 32.331) 33.233 16.072 ( 0.000 46.591 24.396) 52.592 16.278 ( 0.000 9.338 7.271) 11.835 16.815 ( -0.000 12.130 -2.438) 12.372 17.166 ( -0.000 -5.711 -9.464) 11.054 17.348 ( 0.000 1.993 3.607) 4.121 17.541 ( 0.000 -10.502 18.391) 21.178 17.772 ( 0.000 -6.485 3.856) 7.545 18.043 ( -0.000 0.048 -0.579) 0.581 18.051 ( 0.000 5.366 4.645) 7.097 18.485 ( 0.000 -7.183 -0.362) 7.192 18.539 ( -0.000 2.165 -4.929) 5.384 19.645 ( -0.000 5.608 -12.581) 13.775 20.221 ( -0.000 41.058 -36.765) 55.113 21.250 ( 0.000 -6.462 3.819) 7.506 22.091 ( 0.000 -18.776 3.490) 19.098 22.678 ( -0.000 -2.443 -9.434) 9.745 25.904 ( 0.000 4.707 5.919) 7.562 ======================= Grid point 28 (16/175) ======================= q-point: ( 0.19 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.000 39.309 32.401) 50.941 2.548 ( -0.000 56.516 11.579) 57.690 4.531 ( 0.000 86.137 49.768) 99.481 6.603 ( -0.000 -5.710 -6.696) 8.800 6.982 ( 0.000 -2.823 0.941) 2.975 7.534 ( -0.000 -4.755 -12.273) 13.162 8.463 ( 0.000 -19.136 2.441) 19.292 8.875 ( -0.000 -4.874 -11.846) 12.810 9.251 ( 0.000 4.731 11.221) 12.178 9.468 ( -0.000 8.570 -5.624) 10.251 9.723 ( 0.000 5.725 9.175) 10.815 10.295 ( 0.000 25.265 8.641) 26.702 10.909 ( -0.000 26.888 -0.533) 26.893 11.265 ( -0.000 5.941 -0.692) 5.981 11.454 ( 0.000 5.871 13.970) 15.153 11.459 ( -0.000 24.178 -0.308) 24.180 11.632 ( 0.000 21.075 9.175) 22.986 11.742 ( 0.000 6.685 24.156) 25.064 11.886 ( 0.000 15.416 14.873) 21.421 13.568 ( 0.000 -9.976 1.032) 10.029 13.778 ( 0.000 -0.987 2.615) 2.795 14.192 ( -0.000 25.145 -34.228) 42.471 14.448 ( 0.000 -2.847 1.157) 3.073 14.828 ( -0.000 -24.894 -13.079) 28.121 15.269 ( -0.000 -25.488 -13.425) 28.808 15.701 ( -0.000 -13.913 -29.691) 32.789 15.914 ( 0.000 -25.248 2.062) 25.332 16.523 ( 0.000 -17.377 5.325) 18.174 17.282 ( 0.000 6.166 7.237) 9.508 17.289 ( -0.000 -7.673 -4.552) 8.922 17.581 ( -0.000 1.068 -3.158) 3.334 17.788 ( -0.000 -9.766 -6.163) 11.548 18.042 ( 0.000 0.007 0.839) 0.839 18.069 ( -0.000 8.283 -15.953) 17.976 18.483 ( 0.000 -3.350 2.925) 4.447 18.592 ( 0.000 3.170 1.340) 3.441 19.496 ( 0.000 -7.766 15.649) 17.470 19.778 ( 0.000 -9.565 19.209) 21.459 21.420 ( -0.000 10.184 -3.597) 10.800 22.399 ( -0.000 14.629 1.021) 14.664 22.731 ( 0.000 3.231 9.937) 10.449 25.781 ( -0.000 -8.020 -4.857) 9.376 ======================= Grid point 29 (17/175) ======================= q-point: (-0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.862 ( -0.000 -22.133 -24.175) 32.776 5.012 ( -0.000 -20.521 -21.082) 29.420 5.650 ( 0.000 23.423 15.634) 28.161 6.075 ( 0.000 23.325 7.981) 24.652 6.379 ( -0.000 3.480 -0.970) 3.613 8.169 ( -0.000 3.514 -0.429) 3.540 8.475 ( -0.000 1.788 -2.021) 2.698 9.118 ( -0.000 -24.468 -13.615) 28.001 9.941 ( -0.000 -32.583 -26.537) 42.022 10.461 ( 0.000 -6.955 14.969) 16.506 10.539 ( -0.000 -5.063 -6.956) 8.604 11.234 ( 0.000 25.228 27.430) 37.267 11.293 ( -0.000 -0.101 -0.441) 0.452 11.575 ( -0.000 15.984 -9.628) 18.659 11.860 ( 0.000 -11.537 -0.507) 11.548 12.062 ( 0.000 -25.270 8.684) 26.720 12.108 ( -0.000 -0.897 -3.266) 3.387 12.613 ( -0.000 1.482 -4.626) 4.858 12.614 ( -0.000 14.017 -3.807) 14.525 13.069 ( -0.000 -1.136 -5.430) 5.547 13.453 ( -0.000 -14.343 -9.826) 17.386 13.474 ( 0.000 9.888 4.302) 10.783 13.823 ( 0.000 18.665 6.653) 19.815 14.293 ( 0.000 2.319 0.950) 2.506 14.852 ( 0.000 -3.840 -0.081) 3.841 15.058 ( 0.000 -3.899 0.215) 3.905 15.204 ( 0.000 -1.144 3.677) 3.851 15.876 ( -0.000 7.796 1.919) 8.029 16.773 ( 0.000 -7.030 24.072) 25.077 16.998 ( -0.000 11.084 -16.005) 19.469 17.524 ( 0.000 3.268 2.147) 3.911 17.637 ( 0.000 -2.316 0.206) 2.325 17.677 ( 0.000 -1.946 -0.331) 1.974 18.136 ( -0.000 -1.460 -0.392) 1.512 18.365 ( -0.000 4.943 -1.082) 5.060 18.669 ( 0.000 -8.023 3.251) 8.657 19.655 ( -0.000 6.506 -3.013) 7.170 19.994 ( -0.000 5.056 -3.518) 6.159 21.625 ( 0.000 -4.055 1.039) 4.186 22.882 ( -0.000 -1.566 -2.869) 3.269 23.275 ( -0.000 -1.857 -1.704) 2.520 25.249 ( 0.000 0.914 4.063) 4.164 ======================= Grid point 30 (18/175) ======================= q-point: (-0.47 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( 6.642 -28.372 -35.580) 45.990 4.892 ( 29.052 -20.062 -38.707) 52.390 6.323 ( 16.590 18.217 9.803) 26.518 6.626 ( 8.438 23.297 -0.088) 24.778 6.741 ( 8.804 23.052 3.686) 24.949 8.177 ( -1.912 -30.069 -25.104) 39.217 8.325 ( 3.109 -18.945 -16.628) 25.398 8.634 ( 5.481 6.494 -5.322) 10.027 9.430 ( -4.722 -18.338 -4.463) 19.455 10.020 ( -12.529 -21.813 -8.697) 26.617 10.066 ( -15.525 -11.327 0.898) 19.238 11.316 ( -1.919 -5.308 10.348) 11.787 11.473 ( 7.230 -23.922 -1.139) 25.016 11.535 ( 6.142 -12.836 5.821) 15.374 11.760 ( 14.928 -4.565 -9.858) 18.462 11.962 ( -3.830 4.882 -0.366) 6.216 12.350 ( 3.585 18.917 -5.691) 20.077 12.587 ( -3.101 -13.918 -16.964) 22.161 12.705 ( 1.461 17.144 10.658) 20.239 12.973 ( -6.839 7.039 -4.012) 10.602 13.506 ( 5.604 2.891 0.020) 6.306 13.680 ( 1.263 3.352 5.573) 6.625 14.228 ( 5.445 8.362 1.284) 10.060 14.347 ( -0.577 4.517 -1.906) 4.936 14.470 ( -17.781 -4.902 -2.397) 18.600 15.135 ( 8.102 1.213 5.227) 9.718 15.191 ( -1.772 5.557 10.309) 11.844 16.056 ( -5.215 13.791 4.471) 15.407 16.674 ( -0.743 -6.482 28.204) 28.949 17.194 ( -1.799 5.992 -6.804) 9.244 17.441 ( -7.420 -4.365 2.674) 9.014 17.591 ( -1.305 -2.200 -0.577) 2.622 17.671 ( -2.172 4.466 -1.167) 5.102 18.079 ( -4.091 1.598 -3.129) 5.392 18.284 ( 0.907 3.324 4.508) 5.674 18.833 ( 18.542 -7.486 4.840) 20.574 19.931 ( 7.351 11.161 -6.137) 14.706 20.181 ( -0.184 15.934 -9.969) 18.797 21.486 ( 0.428 -10.483 1.955) 10.672 22.813 ( 2.195 -10.235 -2.888) 10.859 23.198 ( -2.653 0.941 -7.315) 7.838 25.174 ( -10.595 1.613 9.861) 14.564 ======================= Grid point 31 (19/175) ======================= q-point: (-0.14 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 37.606 0.000 -38.435) 53.772 1.625 ( 26.870 0.000 -51.645) 58.217 2.898 ( 73.778 0.000 -68.282) 100.527 6.915 ( 12.088 -0.000 4.593) 12.931 6.958 ( -1.559 0.000 -6.353) 6.542 7.515 ( 1.797 0.000 -3.931) 4.322 9.012 ( -7.643 -0.000 18.824) 20.316 9.118 ( -12.900 0.000 -3.376) 13.334 9.232 ( 12.961 -0.000 8.796) 15.664 9.321 ( 5.572 -0.000 7.002) 8.948 9.493 ( -8.503 -0.000 3.270) 9.110 9.893 ( 13.908 0.000 -16.083) 21.263 10.430 ( 11.262 0.000 -0.759) 11.288 10.747 ( 11.129 0.000 -2.038) 11.314 11.155 ( 0.575 0.000 -15.303) 15.313 11.327 ( 4.558 0.000 -12.931) 13.711 11.488 ( 16.927 0.000 -3.354) 17.256 11.630 ( 9.413 0.000 -26.271) 27.907 11.752 ( -2.175 0.000 -23.334) 23.435 12.409 ( 0.512 0.000 -0.460) 0.688 13.895 ( 8.646 0.000 -4.478) 9.737 13.995 ( 15.161 -0.000 9.297) 17.785 14.545 ( 1.602 -0.000 1.014) 1.896 15.106 ( -3.047 -0.000 -0.540) 3.095 15.567 ( -33.776 -0.000 31.504) 46.188 16.371 ( -14.686 -0.000 8.148) 16.795 16.472 ( -13.441 -0.000 2.224) 13.623 16.771 ( -9.775 -0.000 18.992) 21.360 16.952 ( -3.221 -0.000 18.387) 18.667 17.215 ( -11.773 0.000 -10.693) 15.904 17.510 ( 5.638 -0.000 11.226) 12.562 17.658 ( 0.504 -0.000 5.277) 5.301 18.043 ( -10.980 -0.000 -0.020) 10.980 18.051 ( -5.079 0.000 -18.597) 19.278 18.687 ( 29.690 -0.000 23.915) 38.124 19.028 ( 24.248 -0.000 13.799) 27.899 19.780 ( 8.474 0.000 -13.711) 16.118 21.074 ( -0.452 0.000 -1.147) 1.233 21.231 ( 0.265 -0.000 0.219) 0.344 21.748 ( 9.957 -0.000 7.793) 12.644 22.723 ( 7.839 0.000 -8.932) 11.884 25.315 ( -40.204 0.000 -28.842) 49.480 ======================= Grid point 32 (20/175) ======================= q-point: ( 0.19 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 37.103 40.394 17.133) 57.461 3.835 ( 15.953 54.163 0.486) 56.466 6.310 ( 13.505 78.031 36.519) 87.206 6.624 ( 11.616 -4.801 -7.260) 14.515 6.952 ( 6.923 -7.806 -6.779) 12.442 7.450 ( 6.072 -4.818 -22.749) 24.033 8.226 ( 5.224 -8.792 3.404) 10.779 8.801 ( 0.722 -5.069 -5.335) 7.394 9.259 ( -5.695 2.789 6.576) 9.135 9.564 ( -10.129 7.701 -7.877) 14.965 9.934 ( 11.980 5.553 25.976) 29.139 10.785 ( -7.961 31.027 4.695) 32.374 11.383 ( -10.311 18.034 3.124) 21.007 11.436 ( -10.796 4.660 13.758) 18.098 11.579 ( 19.727 6.943 -1.320) 20.955 11.709 ( -13.194 20.610 15.648) 29.047 11.990 ( 11.485 21.609 -2.022) 24.555 12.202 ( 8.692 15.641 -0.066) 17.894 12.516 ( 20.630 19.403 14.566) 31.847 13.407 ( 4.164 -11.666 -3.680) 12.922 13.654 ( -3.819 -14.541 -3.601) 15.460 14.042 ( 5.193 -37.933 -23.022) 44.676 14.335 ( -4.546 4.733 -1.101) 6.655 14.453 ( 3.919 -13.582 -8.034) 16.259 14.934 ( -20.149 -7.940 -10.755) 24.180 15.373 ( -1.789 -7.936 -7.587) 11.124 15.535 ( 0.685 -10.899 -3.706) 11.532 16.008 ( -14.813 -16.447 7.364) 23.327 17.005 ( -1.925 -16.247 0.063) 16.361 17.249 ( -13.474 1.945 -0.816) 13.638 17.504 ( -7.582 -2.678 -0.407) 8.051 17.533 ( -4.943 6.128 -0.918) 7.926 18.045 ( 0.569 -3.811 -3.122) 4.959 18.234 ( 4.133 0.142 -10.313) 11.111 18.503 ( 14.231 -6.784 -8.271) 17.804 18.986 ( 24.626 -1.144 1.052) 24.675 19.478 ( 7.473 -2.795 11.936) 14.357 19.660 ( -4.120 0.079 9.793) 10.625 21.591 ( -2.022 9.046 -2.351) 9.563 22.711 ( 1.571 9.070 3.160) 9.732 22.795 ( 1.152 6.500 6.952) 9.587 25.432 ( -15.495 -7.872 -2.108) 17.508 ======================= Grid point 33 (21/175) ======================= q-point: ( 0.19 -0.03 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.960 ( 39.434 34.382 13.873) 54.126 5.171 ( 18.034 48.497 -5.859) 52.072 6.670 ( 2.457 -7.420 -10.765) 13.304 6.972 ( 15.862 -9.407 -8.014) 20.107 7.522 ( 15.793 1.100 -14.901) 21.741 8.133 ( 14.420 45.270 15.373) 49.936 8.303 ( 16.635 5.179 5.053) 18.141 8.753 ( 0.566 1.000 -2.493) 2.745 9.211 ( 2.722 -2.658 -9.278) 10.028 9.443 ( -14.136 11.648 -2.568) 18.496 10.220 ( 8.258 -4.414 23.773) 25.550 10.982 ( -18.164 8.056 12.176) 23.304 11.337 ( -10.983 20.379 10.792) 25.542 11.485 ( -10.373 14.010 5.234) 18.201 11.692 ( -10.944 9.708 8.736) 17.039 12.209 ( 12.311 7.346 -1.643) 14.430 12.365 ( 2.165 -2.980 0.823) 3.774 12.760 ( 15.591 20.358 -11.781) 28.219 12.865 ( 2.359 -35.261 -22.228) 41.749 13.044 ( -5.414 -13.213 -8.031) 16.382 13.501 ( 14.999 7.999 11.292) 20.407 13.629 ( 1.888 -22.082 2.270) 22.278 14.219 ( 11.947 -17.509 4.542) 21.678 14.416 ( -0.695 8.530 -2.117) 8.816 14.495 ( -17.431 6.007 -10.664) 21.299 14.849 ( -14.552 -12.168 4.817) 19.571 15.546 ( -4.707 -8.179 3.594) 10.098 15.699 ( 3.790 5.982 -8.161) 10.805 16.634 ( -4.591 -16.313 5.482) 17.811 16.918 ( -21.394 1.368 -3.641) 21.745 17.438 ( 1.478 1.076 1.375) 2.288 17.632 ( -0.611 7.905 0.233) 7.932 17.986 ( 4.155 -5.585 -6.758) 9.702 18.267 ( 3.441 -2.973 -8.359) 9.516 18.609 ( 13.574 -11.655 -10.366) 20.678 19.340 ( 15.649 -7.539 2.897) 17.611 19.628 ( 1.881 10.076 5.241) 11.512 19.677 ( 2.865 5.147 7.255) 9.346 21.705 ( -1.073 6.476 -2.107) 6.894 22.564 ( -11.919 -4.711 12.011) 17.564 23.187 ( 10.206 12.514 -3.270) 16.476 24.947 ( -17.730 -7.791 0.220) 19.368 ======================= Grid point 34 (22/175) ======================= q-point: (-0.47 -0.03 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.177 ( 19.444 -19.522 -39.806) 48.412 5.086 ( 27.824 -26.917 -40.205) 55.814 6.719 ( 2.074 1.900 1.493) 3.184 7.108 ( 2.894 8.380 -1.216) 8.949 7.243 ( 4.618 -7.327 -14.464) 16.859 7.858 ( 28.868 2.301 -23.103) 37.045 8.386 ( 1.839 -6.730 -6.121) 9.282 8.402 ( -1.137 -6.734 -3.618) 7.729 9.286 ( -6.629 -5.147 -7.289) 11.116 9.578 ( 9.018 1.575 -7.882) 12.080 9.696 ( -4.920 -8.114 4.063) 10.322 10.940 ( -8.131 -10.040 9.544) 16.063 11.122 ( 10.728 -21.772 -3.510) 24.524 11.699 ( 10.495 -1.368 2.557) 10.888 11.843 ( 2.954 -4.648 -2.523) 6.058 12.128 ( 14.758 0.383 -20.575) 25.323 12.289 ( 0.214 -10.083 -13.380) 16.755 12.465 ( -1.494 2.166 -13.456) 13.711 12.955 ( 4.610 -7.331 -0.533) 8.676 13.042 ( -18.981 -1.755 11.859) 22.450 13.476 ( -7.113 1.703 9.404) 11.914 13.755 ( 1.153 22.533 16.251) 27.806 14.123 ( -6.965 -3.905 1.304) 8.090 14.377 ( 2.788 4.981 -13.698) 14.840 14.584 ( 3.282 5.704 -9.431) 11.500 15.243 ( -4.350 1.405 12.525) 13.333 15.343 ( -0.065 9.948 12.399) 15.896 16.161 ( -11.092 11.497 9.625) 18.651 16.432 ( -3.954 -11.184 12.793) 17.447 16.985 ( -8.113 -6.362 13.836) 17.255 17.384 ( -5.641 4.080 -9.515) 11.790 17.498 ( -10.660 -3.291 -2.564) 11.447 17.652 ( 2.821 5.494 -2.285) 6.585 18.180 ( 1.460 5.805 1.402) 6.148 18.497 ( 13.128 1.437 10.548) 16.902 19.032 ( 14.393 -4.464 6.545) 16.429 20.291 ( 2.571 17.066 -10.862) 20.392 20.562 ( 3.155 16.023 -8.508) 18.414 21.246 ( -1.848 -11.527 1.535) 11.775 22.613 ( 5.596 -16.893 -2.290) 17.943 23.252 ( 3.424 3.368 -7.105) 8.576 24.912 ( -18.106 2.028 9.034) 20.336 ======================= Grid point 35 (23/175) ======================= q-point: (-0.14 -0.03 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 47.074 29.256 -8.445) 56.064 2.878 ( 37.990 36.475 -25.303) 58.429 4.726 ( 76.884 25.942 -47.559) 94.053 6.960 ( 1.009 2.625 -0.302) 2.828 7.110 ( 7.764 -3.235 6.303) 10.511 7.632 ( 3.075 8.241 1.888) 8.997 8.622 ( -7.405 -11.760 4.297) 14.546 8.998 ( -6.260 -1.189 20.136) 21.120 9.257 ( -0.729 1.994 -3.272) 3.901 9.436 ( 13.751 -5.942 7.733) 16.858 9.585 ( -0.954 7.105 -2.173) 7.491 10.209 ( 18.071 0.409 -22.707) 29.023 10.746 ( 3.435 6.660 -3.285) 8.182 10.986 ( 7.421 2.669 -19.962) 21.463 11.352 ( 8.612 -0.773 -6.226) 10.655 11.524 ( 12.572 14.845 -8.384) 21.183 11.737 ( 2.196 5.453 -10.596) 12.117 11.922 ( 19.422 5.689 -8.658) 22.012 12.205 ( 22.706 21.911 -6.549) 32.226 12.759 ( -3.410 26.134 -0.654) 26.364 14.050 ( 11.150 -7.204 -0.626) 13.290 14.231 ( 7.974 -1.385 4.736) 9.377 14.483 ( -16.665 0.074 11.563) 20.284 14.810 ( -20.443 -5.474 20.286) 29.315 15.059 ( -6.496 0.380 6.076) 8.903 15.582 ( -26.042 -15.283 0.708) 30.203 16.286 ( -15.580 -18.418 -0.397) 24.127 16.331 ( -5.740 -15.278 15.307) 22.376 16.769 ( -14.321 1.756 7.775) 16.390 17.074 ( -16.871 2.594 1.929) 17.178 17.308 ( -6.345 2.243 -3.534) 7.601 17.664 ( -0.398 -11.966 -11.083) 16.315 17.833 ( -3.206 6.735 14.419) 16.234 18.255 ( 0.426 10.122 0.508) 10.144 19.113 ( 16.366 -0.461 16.192) 23.027 19.301 ( 6.542 -0.318 10.450) 12.333 19.935 ( 12.020 -8.345 -16.166) 21.805 20.577 ( 12.294 -37.196 -8.738) 40.137 21.237 ( -0.520 3.506 3.929) 5.292 22.230 ( 7.077 19.109 7.376) 21.671 22.914 ( 11.058 -2.784 -10.341) 15.394 24.847 ( -26.937 11.014 -14.949) 32.716 ======================= Grid point 36 (24/175) ======================= q-point: (-0.14 -0.03 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 45.422 31.251 2.360) 55.185 4.319 ( 31.917 39.680 -18.194) 54.076 6.693 ( 52.126 27.878 -19.126) 62.130 7.088 ( 3.875 7.012 -5.081) 9.487 7.146 ( 13.609 -1.239 1.551) 13.753 7.937 ( 4.057 14.612 15.360) 21.585 8.404 ( -1.077 -0.499 2.948) 3.178 8.863 ( -0.164 -6.386 24.044) 24.878 9.279 ( -0.725 -3.243 -12.137) 12.583 9.586 ( 6.638 4.900 7.170) 10.931 9.742 ( 4.239 5.533 -3.483) 7.792 10.422 ( 0.022 -6.760 -17.082) 18.371 10.783 ( 7.479 3.091 -21.896) 23.344 11.277 ( 6.313 4.210 -15.457) 17.219 11.409 ( 6.345 -3.356 -9.984) 12.296 11.960 ( 2.982 13.328 3.312) 14.053 12.161 ( 4.590 14.703 -6.496) 16.716 12.443 ( 19.418 11.007 1.899) 22.402 13.111 ( 5.737 29.611 4.424) 30.484 13.252 ( 14.258 11.116 0.172) 18.080 13.674 ( -21.722 -5.031 17.423) 28.297 14.122 ( -2.396 -8.177 -0.676) 8.547 14.174 ( -4.036 -9.313 4.676) 11.176 14.458 ( -15.626 -10.635 6.402) 19.956 14.775 ( -3.236 -17.521 9.659) 20.267 15.130 ( -9.487 -2.308 -7.073) 12.057 15.719 ( -9.770 -7.994 -8.006) 14.949 15.802 ( -3.161 -16.327 12.021) 20.520 16.486 ( -17.336 -0.873 7.362) 18.854 16.781 ( -11.553 0.521 -2.527) 11.837 17.408 ( 2.657 6.009 -1.804) 6.813 17.510 ( 4.133 -3.734 -8.451) 10.121 17.846 ( -8.751 6.481 11.170) 15.600 18.363 ( -3.686 5.557 7.227) 9.834 19.226 ( -1.057 -3.628 8.323) 9.141 19.454 ( 4.939 4.037 4.929) 8.061 19.826 ( 11.230 -22.775 -7.289) 26.418 20.340 ( 14.078 -17.759 -7.619) 23.909 21.293 ( -2.659 5.939 2.780) 7.076 22.757 ( 9.631 11.243 1.131) 14.847 22.977 ( 8.334 -5.213 -9.421) 13.616 24.536 ( -21.887 6.302 -4.134) 23.148 ======================= Grid point 37 (25/175) ======================= q-point: ( 0.19 -0.03 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.112 ( 19.351 22.029 -1.894) 29.383 6.400 ( 16.958 31.318 3.834) 35.820 6.488 ( -2.749 -3.300 -6.688) 7.948 7.013 ( -5.527 -4.139 7.134) 9.928 7.660 ( 11.324 -10.936 -17.993) 23.908 8.334 ( 15.762 -14.939 -12.208) 24.913 8.686 ( 9.946 -9.957 -0.040) 14.074 9.192 ( 2.383 12.537 -11.422) 17.126 9.367 ( 6.297 15.493 -14.677) 22.251 9.901 ( -7.036 -18.883 7.859) 21.629 10.111 ( 19.902 41.828 15.909) 48.977 10.678 ( -17.453 -4.049 16.012) 24.029 11.377 ( -8.741 1.955 5.451) 10.485 11.579 ( -21.458 19.405 6.318) 29.612 11.607 ( -7.932 2.520 6.193) 10.374 12.000 ( -34.738 -11.819 10.391) 38.136 12.231 ( 7.387 -14.936 -14.566) 22.132 12.450 ( 6.336 -21.193 -2.456) 22.256 12.655 ( 18.408 -5.454 2.340) 19.341 13.155 ( 1.569 -14.180 1.849) 14.386 13.434 ( 11.686 11.588 -17.442) 23.981 13.935 ( -0.933 12.322 -1.580) 12.458 14.166 ( 6.056 -10.810 5.348) 13.496 14.331 ( -10.432 -0.590 1.191) 10.516 14.608 ( 9.763 6.279 -3.704) 12.184 14.948 ( 13.169 15.804 1.426) 20.621 15.283 ( -6.410 -5.118 9.633) 12.652 15.876 ( 2.073 -3.926 -10.009) 10.949 16.176 ( -12.921 -5.220 10.628) 17.526 16.511 ( -18.295 -1.504 -3.583) 18.703 17.497 ( 3.682 -2.507 -4.837) 6.576 17.754 ( 0.475 3.096 1.574) 3.505 18.036 ( 9.491 -5.130 -8.701) 13.860 18.289 ( 3.686 -1.983 -3.517) 5.467 18.603 ( 9.899 -10.191 -7.063) 15.866 19.371 ( 4.426 -4.266 1.967) 6.454 19.840 ( -0.778 9.039 0.779) 9.106 19.997 ( 4.545 16.149 5.909) 17.787 21.745 ( -1.296 -6.128 -5.056) 8.049 22.264 ( -10.323 6.721 15.968) 20.168 23.591 ( 11.249 5.929 -5.777) 13.967 24.439 ( -17.224 -9.053 2.776) 19.655 ======================= Grid point 38 (26/175) ======================= q-point: (-0.47 -0.03 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( 26.546 -6.102 -34.649) 44.074 4.886 ( 16.455 -30.290 -38.240) 51.483 6.500 ( -18.732 -3.936 6.891) 20.343 6.906 ( -23.251 -6.727 7.888) 25.457 7.072 ( -5.183 -5.101 -4.646) 8.630 8.302 ( 16.076 -2.841 -11.852) 20.174 8.484 ( 42.636 -7.140 -40.357) 59.140 8.877 ( 7.068 9.066 -1.264) 11.565 9.387 ( 8.125 3.610 -1.213) 8.973 9.516 ( 16.909 4.245 4.913) 18.113 9.748 ( -0.863 -2.656 3.407) 4.405 10.753 ( 4.241 -10.392 2.622) 11.526 11.259 ( 9.560 13.828 -11.320) 20.266 11.675 ( -6.039 1.481 -1.573) 6.414 11.932 ( -0.205 2.358 -0.886) 2.528 12.127 ( -7.356 -9.453 0.352) 11.983 12.290 ( -19.615 2.172 15.931) 25.362 12.386 ( 10.647 -15.957 -13.721) 23.585 12.472 ( 0.358 -5.449 -1.367) 5.629 12.941 ( 8.849 -1.168 -7.588) 11.715 13.386 ( 10.091 -14.402 -7.858) 19.261 13.992 ( -9.435 7.808 6.060) 13.664 14.225 ( -1.469 16.071 13.447) 21.006 14.478 ( 3.299 -1.506 -16.409) 16.805 14.689 ( -3.255 2.341 -4.194) 5.802 15.061 ( -6.058 -0.735 8.897) 10.789 15.457 ( -9.775 8.046 12.926) 18.094 15.988 ( -7.287 -3.380 17.468) 19.226 16.281 ( -4.130 2.856 -5.544) 7.480 16.816 ( -2.406 -3.327 22.437) 22.809 17.076 ( -15.855 -4.315 -12.768) 20.809 17.394 ( -0.959 -1.298 -5.605) 5.832 17.897 ( 4.439 8.934 -1.246) 10.053 18.182 ( -4.790 -2.236 3.341) 6.254 18.784 ( 13.500 -0.006 11.293) 17.600 19.214 ( 9.286 -1.908 4.615) 10.544 20.664 ( 5.699 6.767 -8.775) 12.461 20.876 ( -4.240 23.055 -3.524) 23.705 21.078 ( -0.788 -1.271 0.822) 1.706 22.291 ( 2.975 -26.576 -5.573) 27.317 23.493 ( 12.497 5.035 -1.473) 13.553 24.601 ( -18.271 3.082 4.264) 19.014 ======================= Grid point 39 (27/175) ======================= q-point: (-0.47 -0.03 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.749 ( 10.041 0.000 -15.725) 18.657 4.918 ( 18.135 0.000 -20.380) 27.281 6.030 ( -18.060 -0.000 8.554) 19.983 6.415 ( -13.581 -0.000 7.021) 15.289 6.917 ( -2.480 0.000 -2.274) 3.365 8.427 ( 1.324 0.000 -0.819) 1.557 8.894 ( -0.491 -0.000 0.386) 0.625 9.395 ( 41.282 0.000 -33.185) 52.967 9.617 ( 5.009 0.000 -0.429) 5.027 9.719 ( 2.012 0.000 -3.028) 3.635 10.068 ( 18.341 -0.000 4.523) 18.891 10.682 ( 1.394 -0.000 1.421) 1.991 11.117 ( -37.378 -0.000 28.221) 46.835 11.654 ( -5.466 0.000 -1.666) 5.714 11.856 ( -1.860 0.000 -7.751) 7.971 11.929 ( 0.977 0.000 -0.351) 1.038 12.001 ( -0.623 0.000 -4.278) 4.323 12.311 ( 1.822 0.000 -1.002) 2.079 12.772 ( 21.614 0.000 -20.375) 29.704 13.103 ( -5.026 -0.000 20.862) 21.458 13.314 ( 3.723 0.000 -6.593) 7.572 13.927 ( -5.793 -0.000 1.869) 6.087 14.403 ( 4.025 -0.000 7.391) 8.416 14.478 ( 0.815 0.000 -16.535) 16.555 14.569 ( -1.669 -0.000 0.191) 1.680 15.072 ( 0.034 -0.000 1.160) 1.160 15.250 ( -13.555 -0.000 10.892) 17.389 15.926 ( 0.605 -0.000 6.312) 6.341 16.335 ( 1.194 0.000 -1.161) 1.665 16.577 ( -9.006 -0.000 3.970) 9.843 16.888 ( -1.184 0.000 -2.066) 2.381 17.355 ( -0.812 0.000 -2.233) 2.376 18.018 ( -2.852 -0.000 1.510) 3.227 18.087 ( 1.498 0.000 0.037) 1.499 18.987 ( 6.023 -0.000 5.425) 8.106 19.303 ( 2.304 -0.000 0.506) 2.358 20.751 ( 1.377 0.000 -2.189) 2.586 21.082 ( 0.201 -0.000 0.721) 0.749 21.232 ( -0.581 0.000 -1.033) 1.185 21.899 ( -0.397 0.000 -3.662) 3.684 23.840 ( 13.863 0.000 -0.220) 13.865 24.299 ( -14.607 -0.000 1.252) 14.660 ======================= Grid point 40 (28/175) ======================= q-point: (-0.14 -0.03 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.495 ( 29.175 26.920 -0.961) 39.708 5.643 ( 31.993 30.357 -13.058) 45.996 6.882 ( -9.398 -2.160 3.009) 10.102 7.095 ( 5.974 -12.147 -2.876) 13.839 8.139 ( -10.032 13.738 25.757) 30.868 8.326 ( 2.751 14.708 12.069) 19.224 8.786 ( 15.623 -10.654 22.776) 29.604 8.936 ( 38.340 28.187 -11.958) 49.066 9.259 ( 9.301 6.172 -15.408) 19.026 9.629 ( -14.018 -1.826 -2.770) 14.405 9.994 ( -0.429 15.427 4.854) 16.179 10.267 ( 11.521 -9.705 -9.736) 17.936 11.019 ( 8.273 0.648 -28.805) 29.976 11.369 ( 3.854 -2.626 -11.013) 11.960 11.466 ( 6.282 -4.680 -11.302) 13.751 11.906 ( -24.523 -8.080 -5.015) 26.302 12.388 ( -1.286 11.405 -0.014) 11.477 12.717 ( -20.187 2.815 21.111) 29.345 13.056 ( 1.262 4.531 19.990) 20.536 13.550 ( 4.511 1.426 6.240) 7.831 13.689 ( -11.723 -10.084 -8.047) 17.432 13.830 ( -5.429 -12.479 4.179) 14.236 13.920 ( 3.179 -0.744 7.542) 8.218 14.355 ( 1.320 -3.984 -4.555) 6.193 14.586 ( 21.016 14.766 -8.135) 26.942 14.923 ( 2.880 -6.063 -2.439) 7.141 15.429 ( -10.507 -3.919 -6.120) 12.776 15.816 ( 3.609 5.464 8.591) 10.802 16.039 ( -14.903 -9.878 -0.438) 17.885 16.534 ( -9.819 -6.133 -0.396) 11.584 17.570 ( 0.779 2.599 3.460) 4.397 17.695 ( 9.993 1.307 -1.132) 10.142 17.841 ( -3.208 13.097 3.939) 14.048 18.396 ( -4.534 6.973 9.646) 12.737 19.018 ( -11.424 -3.288 0.804) 11.914 19.463 ( 1.040 -8.882 1.214) 9.025 19.755 ( 11.777 -6.977 2.999) 14.013 20.262 ( 6.869 -13.588 -7.149) 16.821 21.409 ( -0.970 11.260 0.081) 11.302 22.572 ( -1.363 -22.024 -11.259) 24.773 23.465 ( 14.131 16.864 2.138) 22.106 24.241 ( -15.534 0.769 -0.891) 15.579 ======================= Grid point 41 (29/175) ======================= q-point: ( 0.19 -0.03 -0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.947 ( -18.120 -19.966 -4.170) 27.282 6.314 ( -33.287 -18.772 12.385) 40.172 6.704 ( 7.844 7.133 -9.584) 14.293 7.164 ( -0.010 13.269 3.058) 13.617 7.845 ( 15.694 -1.540 -19.183) 24.833 8.210 ( 11.250 -13.513 -23.647) 29.468 8.919 ( 14.797 -6.764 19.022) 25.030 9.210 ( -7.388 -3.883 -19.502) 21.213 9.379 ( 2.633 -5.452 8.052) 10.075 9.723 ( -11.469 -8.470 -6.186) 15.541 10.195 ( -23.851 -1.337 6.252) 24.693 10.608 ( -24.338 -5.519 5.914) 25.647 11.215 ( -8.517 1.302 17.213) 19.249 11.367 ( 17.635 14.455 7.438) 23.984 11.565 ( -9.821 9.906 18.751) 23.371 11.622 ( -8.935 7.971 3.764) 12.552 12.272 ( 20.207 -11.606 -19.785) 30.569 12.300 ( 7.604 -8.251 -1.954) 11.389 13.019 ( 6.542 -4.466 -9.202) 12.141 13.260 ( 22.714 12.988 6.112) 26.870 13.643 ( 3.243 -9.598 -6.528) 12.052 13.882 ( -11.412 -1.991 -5.958) 13.027 14.047 ( -6.018 7.372 4.867) 10.689 14.355 ( -0.832 11.329 2.813) 11.702 14.829 ( 3.814 -6.263 -5.052) 8.905 15.117 ( -5.541 -2.801 3.681) 7.218 15.242 ( -4.312 -8.345 8.617) 12.747 15.695 ( 7.411 10.941 -2.983) 13.547 16.066 ( -9.647 0.825 -3.093) 10.164 16.378 ( 4.308 5.894 0.182) 7.303 17.516 ( 5.199 -2.964 -6.636) 8.936 17.754 ( 0.134 -4.463 1.258) 4.639 17.937 ( -6.354 -8.737 -2.634) 11.119 18.263 ( 7.724 -12.430 -5.096) 15.496 18.777 ( 12.187 5.245 -1.274) 13.329 19.412 ( 6.282 -2.836 1.664) 7.090 19.976 ( -10.151 16.500 -4.406) 19.867 20.343 ( -1.659 15.523 5.387) 16.515 21.443 ( -4.499 -10.787 -3.519) 12.206 22.527 ( 3.572 19.764 14.359) 24.689 23.673 ( -4.182 -14.812 -8.787) 17.723 24.072 ( -1.299 0.100 6.071) 6.210 ======================= Grid point 42 (30/175) ======================= q-point: ( 0.19 -0.03 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.932 ( -31.225 -35.108 12.500) 48.619 5.089 ( -45.985 -20.985 -2.918) 50.632 6.891 ( 5.417 -1.168 -10.032) 11.461 7.186 ( -1.940 -1.611 -13.421) 13.655 7.797 ( -3.095 -18.161 -19.498) 26.825 8.171 ( -36.279 -9.477 19.345) 42.192 8.452 ( -15.069 -10.301 10.528) 21.072 8.948 ( -4.923 -0.392 -17.209) 17.903 9.152 ( 7.840 -2.452 11.959) 14.508 9.636 ( -1.606 -13.330 0.948) 13.460 9.764 ( 3.720 9.076 2.508) 10.124 10.642 ( -19.176 21.724 3.590) 29.198 10.940 ( -6.578 -4.425 15.671) 17.563 11.434 ( -9.376 1.999 18.883) 21.178 11.558 ( -8.018 4.716 8.927) 12.892 11.885 ( 9.301 -6.507 -1.115) 11.406 12.220 ( -1.604 -6.227 6.307) 9.007 12.650 ( 9.784 -4.983 -14.032) 17.817 12.953 ( 15.016 -3.806 -24.253) 28.778 13.143 ( -3.441 -31.187 -1.713) 31.423 13.879 ( -3.716 1.146 6.046) 7.188 13.961 ( 7.628 5.438 -2.596) 9.721 14.164 ( -1.458 15.265 3.275) 15.680 14.250 ( -5.611 -7.047 4.865) 10.238 14.707 ( 1.576 19.830 -5.991) 20.775 15.028 ( 2.829 1.852 0.842) 3.485 15.476 ( 14.348 2.566 6.920) 16.135 15.798 ( -0.584 5.659 -14.997) 16.040 16.219 ( 7.639 7.774 -6.989) 12.947 16.592 ( 8.448 -0.355 2.517) 8.822 17.480 ( -4.753 -9.247 2.109) 10.609 17.611 ( -0.203 -2.964 5.383) 6.148 17.677 ( 2.545 -5.782 -5.639) 8.468 18.232 ( 8.986 -7.756 -3.653) 12.420 19.110 ( 9.105 4.673 -3.709) 10.886 19.460 ( 4.059 -4.078 -0.051) 5.754 20.107 ( -15.364 23.117 -1.640) 27.805 20.543 ( -7.062 15.346 3.750) 17.304 21.263 ( 0.076 -4.031 -4.614) 6.127 22.897 ( -2.602 1.967 5.812) 6.665 23.159 ( -10.335 -5.465 2.422) 11.939 24.188 ( 12.530 -4.191 3.997) 13.803 ======================= Grid point 43 (31/175) ======================= q-point: ( 0.53 -0.03 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.919 ( -23.229 13.456 14.025) 30.288 5.126 ( -4.599 23.936 20.663) 31.954 6.095 ( 17.153 6.690 -8.540) 20.296 6.512 ( 12.802 9.449 -6.778) 17.295 7.003 ( 1.785 8.183 1.552) 8.518 8.400 ( -1.390 -2.933 0.785) 3.340 8.968 ( -2.551 5.168 0.160) 5.766 9.421 ( -27.641 -0.324 20.280) 34.284 9.532 ( -11.937 -8.072 12.536) 19.099 9.691 ( -3.421 2.619 2.368) 4.916 9.930 ( -16.145 -12.251 -4.465) 20.753 10.858 ( -5.356 14.639 -2.004) 15.717 11.082 ( 31.785 -4.701 -19.647) 37.661 11.437 ( 10.775 -13.712 -1.624) 17.514 11.657 ( 3.009 -2.475 0.908) 4.000 11.991 ( 0.993 -0.600 3.772) 3.947 12.309 ( -3.588 3.100 1.036) 4.854 12.468 ( -1.293 27.622 -0.552) 27.657 12.735 ( -15.134 -3.401 15.296) 21.784 12.992 ( 5.676 -5.425 -5.576) 9.630 13.594 ( -8.031 19.534 -1.794) 21.197 13.799 ( 7.141 -10.851 -0.972) 13.026 14.320 ( -10.349 -6.268 -5.637) 13.348 14.498 ( 3.975 2.021 12.811) 13.565 14.625 ( 0.866 -2.294 1.276) 2.764 15.014 ( -0.260 -1.620 -0.911) 1.877 15.192 ( 12.955 -4.233 -10.200) 17.023 15.926 ( -0.175 -0.577 -8.661) 8.682 16.161 ( 6.155 -10.482 5.415) 13.307 16.769 ( 1.467 11.613 -11.129) 16.152 16.911 ( 2.601 2.758 6.823) 7.806 17.385 ( 0.117 3.220 2.211) 3.908 17.983 ( -4.496 -4.652 1.881) 6.738 18.080 ( 5.279 0.369 -2.724) 5.952 18.982 ( -5.747 -0.632 -5.342) 7.872 19.332 ( -2.781 3.013 -0.795) 4.176 20.742 ( -2.879 -11.178 7.082) 13.542 20.800 ( 3.314 -20.919 -2.650) 21.345 21.066 ( 0.325 -0.529 -0.154) 0.640 22.337 ( -1.371 31.039 2.264) 31.151 23.738 ( -10.469 -10.797 0.355) 15.043 24.282 ( 12.284 -1.335 -1.433) 12.439 ======================= Grid point 44 (32/175) ======================= q-point: (-0.14 -0.03 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.339 ( 7.788 20.321 1.129) 21.791 6.472 ( -13.665 -14.252 -1.999) 19.845 6.599 ( 10.305 -0.119 -10.857) 14.969 6.741 ( 4.339 -17.618 -12.723) 22.160 8.004 ( -20.064 13.829 24.694) 34.693 8.466 ( 1.212 5.597 23.140) 23.838 9.074 ( -9.275 -5.803 21.311) 23.955 9.099 ( -6.255 10.915 3.742) 13.125 9.497 ( 2.626 -8.850 15.584) 18.113 9.729 ( 4.411 -1.121 -7.329) 8.627 10.378 ( 11.540 23.543 -22.866) 34.789 10.664 ( -25.633 -30.964 -15.439) 43.060 11.037 ( 24.020 9.563 -11.248) 28.195 11.214 ( 22.513 -9.319 -21.936) 32.785 11.372 ( 1.832 -1.819 -6.951) 7.415 11.512 ( 8.805 -4.847 -9.997) 14.176 12.470 ( -13.639 12.005 18.484) 25.919 12.582 ( -5.348 12.371 4.361) 14.165 13.004 ( -14.854 -2.402 -0.273) 15.049 13.169 ( -0.148 2.986 3.640) 4.710 13.613 ( -5.855 -6.191 16.890) 18.918 13.788 ( 11.460 -10.520 8.526) 17.739 14.103 ( 4.881 10.432 1.093) 11.569 14.236 ( 1.210 -4.956 -5.226) 7.303 14.924 ( -14.096 2.019 -0.828) 14.264 15.139 ( 5.509 3.040 -9.092) 11.057 15.283 ( -18.521 -12.860 -5.307) 23.164 15.593 ( 24.960 8.458 -11.035) 28.571 16.115 ( -3.247 0.839 7.006) 7.767 16.266 ( 6.149 -2.017 0.806) 6.522 17.582 ( -4.474 3.801 6.914) 9.070 17.736 ( 2.408 -3.757 3.094) 5.430 18.167 ( -1.651 11.980 5.741) 13.387 18.354 ( -3.603 -5.027 4.557) 7.682 18.825 ( -12.415 12.110 4.005) 17.799 19.319 ( 7.292 -11.882 2.800) 14.220 19.858 ( -0.566 3.982 -2.212) 4.590 20.053 ( -0.905 -13.827 -5.966) 15.087 21.713 ( 1.489 16.256 -1.453) 16.389 22.122 ( 3.562 -20.241 -10.878) 23.254 23.846 ( -13.272 0.896 4.133) 13.929 24.105 ( 15.436 4.730 -2.317) 16.310 ======================= Grid point 45 (33/175) ======================= q-point: (-0.14 -0.03 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.571 ( -23.922 -35.141 0.027) 42.511 5.673 ( -29.859 -33.750 -12.506) 46.766 6.718 ( -2.539 13.272 4.741) 14.321 7.062 ( 6.911 0.630 -7.826) 10.460 7.912 ( -22.429 13.159 24.716) 35.876 8.498 ( -21.309 -10.663 -1.844) 23.900 8.659 ( -6.445 -18.980 16.328) 25.853 8.813 ( -9.987 -7.208 4.898) 13.255 9.291 ( -8.304 -25.999 -14.961) 31.124 9.349 ( -9.425 5.786 13.030) 17.090 10.206 ( 11.731 6.020 -0.878) 13.214 10.697 ( 7.379 -8.174 -32.280) 34.107 11.047 ( 15.762 -20.077 -15.473) 29.849 11.378 ( 1.846 -1.952 -6.670) 7.191 11.499 ( 8.059 -7.756 -9.071) 14.401 12.222 ( 21.255 7.885 -4.730) 23.159 12.435 ( -9.296 1.387 5.111) 10.699 12.863 ( 6.179 17.534 6.941) 19.844 12.910 ( -5.697 15.717 15.699) 22.933 13.161 ( -19.043 -4.966 16.654) 25.780 13.548 ( 4.849 21.977 0.805) 22.520 13.765 ( 0.804 -4.103 -2.193) 4.721 14.208 ( 6.569 -11.972 3.915) 14.206 14.355 ( -0.572 0.392 0.401) 0.801 14.502 ( -8.185 -2.430 -1.471) 8.664 14.709 ( -5.710 -1.254 -9.255) 10.947 15.445 ( 6.257 9.030 -6.691) 12.863 15.812 ( -7.385 -6.656 7.847) 12.665 16.345 ( 24.670 7.870 -7.285) 26.900 16.590 ( 11.037 6.815 3.464) 13.426 17.518 ( -6.193 -0.472 2.302) 6.624 17.653 ( -1.903 -6.549 0.641) 6.849 18.049 ( -2.412 -3.566 5.501) 6.986 18.349 ( -4.389 5.132 10.419) 12.417 18.884 ( -13.533 16.264 9.724) 23.286 19.346 ( 10.190 -3.495 -1.382) 10.861 19.711 ( -7.025 -10.458 -3.455) 13.064 19.867 ( -10.848 6.902 -8.313) 15.311 21.688 ( 0.386 -10.551 -1.445) 10.657 22.321 ( 11.806 11.708 -9.982) 19.393 23.432 ( -14.389 -10.597 2.051) 17.988 24.576 ( 19.371 4.653 -0.148) 19.923 ======================= Grid point 46 (34/175) ======================= q-point: ( 0.19 -0.03 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( -40.140 -34.830 17.811) 56.049 3.774 ( -51.491 -16.748 0.758) 54.151 6.267 ( -76.585 -14.119 34.804) 85.299 6.952 ( 0.441 -5.435 -1.054) 5.554 7.211 ( -1.779 2.634 -18.255) 18.529 7.626 ( 3.285 -14.321 -11.411) 18.604 8.521 ( 2.046 9.546 5.160) 11.043 8.929 ( 2.441 -3.377 -13.492) 14.121 9.186 ( 3.771 -1.152 2.844) 4.862 9.545 ( 3.823 -9.497 10.617) 14.749 9.743 ( -14.535 8.191 -3.914) 17.137 10.635 ( -24.525 11.894 12.356) 29.927 10.813 ( -4.688 6.151 4.348) 8.872 11.199 ( -12.169 -1.552 22.005) 25.194 11.501 ( -7.423 6.153 6.619) 11.695 11.770 ( -1.175 -8.354 2.196) 8.717 11.815 ( -14.446 -17.932 4.671) 23.496 12.279 ( -17.745 -6.180 12.837) 22.757 12.451 ( -2.114 -32.734 0.103) 32.802 13.037 ( -28.763 -9.842 3.324) 30.582 13.752 ( 41.249 2.206 -29.111) 50.535 14.277 ( -7.191 7.801 -1.006) 10.657 14.342 ( -0.037 6.446 -6.050) 8.841 14.595 ( 12.925 5.650 -1.961) 14.241 14.958 ( 4.485 -4.025 -5.175) 7.943 15.120 ( 14.737 2.280 5.867) 16.025 15.995 ( 15.514 19.314 4.199) 25.126 16.191 ( 7.838 20.150 -19.482) 29.103 16.474 ( 14.421 -2.438 -9.689) 17.544 16.727 ( 14.924 -4.944 -1.073) 15.758 17.258 ( 0.636 -9.559 4.017) 10.388 17.628 ( 2.972 7.527 14.055) 16.218 17.734 ( 6.588 -4.068 -12.178) 14.431 18.227 ( 3.441 -7.835 -0.670) 8.583 19.276 ( 0.944 1.476 -9.240) 9.405 19.382 ( -3.875 -3.066 -5.617) 7.481 20.201 ( -15.025 13.872 10.108) 22.811 20.763 ( -6.641 23.870 1.735) 24.837 21.230 ( 0.009 -0.650 -4.570) 4.616 22.397 ( -9.570 -20.147 -10.535) 24.667 23.148 ( -11.917 7.253 11.965) 18.379 24.395 ( 19.510 -7.043 12.180) 24.054 ======================= Grid point 47 (35/175) ======================= q-point: ( 0.53 -0.03 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( -28.938 20.315 27.658) 44.889 5.549 ( -18.830 35.419 35.471) 53.546 6.603 ( 12.860 5.984 -7.188) 15.901 7.085 ( 16.825 10.233 0.809) 19.709 7.170 ( -0.392 5.219 -6.429) 8.290 8.206 ( -8.277 -14.633 -2.809) 17.045 8.575 ( -12.871 -12.809 10.097) 20.777 8.811 ( -39.511 21.171 40.905) 60.684 9.314 ( -11.006 -6.395 -2.164) 12.912 9.601 ( 3.350 10.363 -4.496) 11.783 9.745 ( -4.126 0.955 3.062) 5.226 10.794 ( 4.280 -5.994 -1.691) 7.556 11.306 ( -6.766 19.096 7.420) 21.575 11.688 ( 5.891 2.724 -4.089) 7.671 11.872 ( 6.788 -4.234 -3.534) 8.746 12.254 ( 15.013 0.340 -16.924) 22.626 12.275 ( 6.387 5.936 6.848) 11.088 12.433 ( -4.814 -3.704 5.888) 8.459 12.746 ( -6.289 9.038 6.792) 12.937 13.082 ( -6.175 13.567 6.384) 16.216 13.540 ( -6.168 -3.510 -3.014) 7.710 13.764 ( 1.983 -23.801 -13.247) 27.311 14.006 ( -1.365 8.032 0.185) 8.149 14.429 ( -1.271 -7.894 8.679) 11.801 14.637 ( -1.288 0.142 12.895) 12.960 15.083 ( 7.574 -3.487 -13.114) 15.540 15.348 ( 2.433 0.640 -4.481) 5.139 15.944 ( 8.765 -6.920 -13.273) 17.346 16.280 ( 12.478 2.152 5.863) 13.954 16.894 ( 1.113 4.459 -24.822) 25.244 17.147 ( 11.173 2.058 11.220) 15.967 17.463 ( -1.030 5.754 3.721) 6.930 17.735 ( -5.540 -6.876 3.305) 9.428 18.177 ( 2.066 -2.286 -2.286) 3.836 18.762 ( -12.740 -2.746 -10.933) 17.011 19.282 ( -10.266 5.244 -4.519) 12.382 20.252 ( 4.574 -25.279 11.068) 27.972 20.648 ( -3.971 -9.583 3.963) 11.104 21.193 ( 3.262 10.789 -0.917) 11.308 22.766 ( -9.126 20.554 2.427) 22.620 23.334 ( -4.834 -10.820 3.571) 12.377 24.547 ( 18.051 -1.883 -5.108) 18.854 ======================= Grid point 48 (36/175) ======================= q-point: ( 0.53 -0.03 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.667 ( -19.960 29.976 28.203) 45.743 5.549 ( -34.999 20.933 34.632) 53.503 6.600 ( -8.601 -10.890 -5.731) 15.014 6.913 ( -17.598 -17.587 -4.128) 25.220 6.987 ( -17.069 -19.961 -3.590) 26.508 8.115 ( 6.718 21.159 6.829) 23.226 8.376 ( -0.812 7.494 6.498) 9.952 8.772 ( -11.706 7.112 19.082) 23.489 9.376 ( 4.773 11.011 13.306) 17.918 9.628 ( 9.284 8.757 12.575) 17.917 9.958 ( 3.965 16.879 -7.417) 18.858 11.138 ( 14.617 10.837 -10.975) 21.250 11.580 ( -3.771 18.883 4.720) 19.826 11.724 ( -6.825 -3.130 -10.714) 13.083 11.864 ( 1.291 2.371 -9.450) 9.828 12.092 ( -15.231 -2.837 17.826) 23.617 12.373 ( 8.086 -3.109 12.391) 15.119 12.484 ( -3.453 4.177 8.142) 9.780 12.815 ( -9.273 -22.308 -6.676) 25.064 12.951 ( 3.400 -4.332 -2.352) 5.988 13.418 ( 11.781 -2.668 -17.964) 21.647 13.706 ( -0.899 14.815 0.093) 14.842 14.188 ( 1.758 -9.672 6.939) 12.033 14.274 ( 4.439 5.927 0.851) 7.454 14.493 ( -10.631 -4.440 10.346) 15.484 15.046 ( 8.781 -13.601 -14.496) 21.731 15.314 ( -7.938 1.687 -0.270) 8.119 15.928 ( 7.362 -10.897 -5.472) 14.243 16.604 ( 8.117 6.732 -10.461) 14.854 17.074 ( 8.141 1.366 -14.150) 16.382 17.332 ( 6.282 0.072 10.628) 12.346 17.533 ( 2.905 -0.359 4.464) 5.338 17.640 ( -1.290 4.249 -3.544) 5.681 18.056 ( -2.218 -6.603 1.849) 7.206 18.425 ( -11.099 -5.512 -7.947) 14.722 19.171 ( -15.074 9.419 -5.552) 18.621 19.974 ( 3.727 -13.147 9.174) 16.459 20.266 ( -8.350 -15.362 6.570) 18.678 21.489 ( 0.437 12.184 -1.179) 12.248 22.869 ( -3.036 8.700 -0.695) 9.241 23.161 ( -0.155 -4.776 8.323) 9.598 24.892 ( 17.220 -0.156 -7.200) 18.665 ======================= Grid point 49 (37/175) ======================= q-point: (-0.14 -0.03 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.197 ( -33.050 -46.220 1.776) 56.848 4.338 ( -37.215 -35.065 -16.469) 53.719 6.736 ( -28.819 -58.898 -25.856) 70.484 6.819 ( -7.709 5.755 6.473) 11.595 7.155 ( -11.164 -5.002 -7.840) 14.530 7.662 ( -17.334 4.662 21.793) 28.233 8.362 ( -7.974 2.208 2.547) 8.658 8.845 ( -3.225 9.840 4.223) 11.183 9.203 ( 5.868 -5.317 5.090) 9.414 9.339 ( 3.346 0.887 9.580) 10.187 10.105 ( -3.011 -15.444 -12.441) 20.059 10.699 ( 1.226 -18.419 -23.621) 29.978 10.989 ( 22.472 -10.667 -18.115) 30.772 11.343 ( 1.135 -5.349 -6.257) 8.310 11.477 ( 8.539 -11.541 -12.122) 18.790 12.024 ( -19.533 -11.096 -1.510) 22.515 12.285 ( -14.352 -14.048 9.913) 22.396 12.345 ( -8.922 -16.218 1.012) 18.538 12.971 ( -24.363 -16.444 -7.532) 30.343 13.418 ( 2.898 13.342 8.813) 16.250 13.635 ( -1.283 17.002 0.336) 17.054 14.097 ( 0.977 24.372 15.004) 28.637 14.209 ( 9.458 -4.697 4.089) 11.325 14.468 ( 19.908 1.234 15.168) 25.058 14.554 ( -2.648 14.463 4.538) 15.388 15.184 ( 17.171 19.487 -8.609) 27.363 15.590 ( -4.675 0.332 8.997) 10.145 15.742 ( 9.648 9.966 -8.049) 16.037 16.889 ( 19.356 -1.986 4.041) 19.873 16.909 ( 10.130 11.503 -3.454) 15.712 17.412 ( -0.186 -1.895 -1.641) 2.514 17.485 ( 0.209 -5.247 -0.688) 5.296 18.048 ( 2.005 0.018 5.854) 6.188 18.331 ( -5.570 3.473 13.714) 15.204 18.854 ( -18.798 12.558 11.579) 25.400 19.369 ( -12.752 -3.052 3.997) 13.708 19.539 ( 7.071 2.656 -9.041) 11.782 19.733 ( -17.265 8.809 -15.926) 25.087 21.535 ( 3.508 -9.983 0.578) 10.597 22.667 ( 3.872 4.981 -8.909) 10.917 22.931 ( -10.845 -13.402 -0.349) 17.243 25.047 ( 22.171 2.176 0.411) 22.281 ======================= Grid point 50 (38/175) ======================= q-point: ( 0.19 -0.03 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -39.035 -0.000 34.257) 51.935 2.507 ( -54.970 -0.000 11.058) 56.071 4.486 ( -84.512 -0.000 49.172) 97.776 6.927 ( 1.442 -0.000 0.415) 1.501 7.151 ( -9.752 0.000 -9.758) 13.796 7.531 ( 0.898 -0.000 0.686) 1.129 8.845 ( 12.619 -0.000 3.058) 12.984 8.886 ( 4.949 0.000 -17.282) 17.976 9.347 ( 6.200 -0.000 1.989) 6.512 9.366 ( -2.713 0.000 -4.397) 5.167 9.567 ( -15.813 0.000 -6.633) 17.148 10.258 ( -23.466 -0.000 19.159) 30.293 10.644 ( -10.372 -0.000 -1.887) 10.542 11.021 ( -15.555 -0.000 10.768) 18.918 11.260 ( -10.416 -0.000 13.921) 17.386 11.453 ( -7.896 -0.000 8.338) 11.483 11.672 ( 1.821 -0.000 18.358) 18.448 11.876 ( -17.837 -0.000 1.884) 17.936 11.910 ( -14.206 -0.000 19.293) 23.959 12.491 ( -11.384 -0.000 0.994) 11.428 14.124 ( -13.713 -0.000 0.747) 13.733 14.237 ( -9.966 0.000 -6.574) 11.939 14.485 ( 16.031 0.000 -9.790) 18.784 14.891 ( 25.187 0.000 -24.088) 34.851 15.008 ( 7.182 0.000 -0.604) 7.207 15.742 ( 34.957 -0.000 6.956) 35.643 16.447 ( 2.217 0.000 -13.435) 13.617 16.549 ( 12.118 0.000 -9.102) 15.155 16.810 ( 11.151 0.000 -26.038) 28.326 16.958 ( 17.127 -0.000 6.604) 18.356 17.280 ( 13.814 -0.000 4.181) 14.433 17.753 ( -0.336 0.000 -14.740) 14.743 17.916 ( 8.278 -0.000 19.775) 21.437 18.037 ( -5.839 0.000 -1.117) 5.945 19.110 ( -15.407 0.000 -16.663) 22.694 19.307 ( -5.612 0.000 -11.406) 12.712 20.020 ( -15.063 -0.000 14.667) 21.024 21.062 ( 0.848 -0.000 1.295) 1.549 21.240 ( -0.691 0.000 -0.682) 0.971 21.945 ( -9.792 0.000 -16.017) 18.773 22.937 ( -13.461 -0.000 9.432) 16.437 24.707 ( 23.512 -0.000 26.242) 35.234 ======================= Grid point 51 (39/175) ======================= q-point: ( 0.19 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -34.273 34.094 21.122) 52.756 2.179 ( -36.098 34.690 37.416) 62.501 3.418 ( -50.145 53.100 63.364) 96.691 6.835 ( -10.253 -5.284 -4.624) 12.426 7.015 ( -1.645 2.701 5.540) 6.379 7.560 ( -2.453 2.955 0.313) 3.853 8.773 ( 7.138 -15.963 -6.978) 18.827 9.081 ( -3.965 -8.574 -16.336) 18.871 9.217 ( -1.897 -1.943 2.283) 3.548 9.294 ( 2.761 3.420 -5.637) 7.148 9.617 ( 0.495 7.250 -2.781) 7.781 9.950 ( -6.992 10.114 21.195) 24.503 10.595 ( -10.465 15.566 1.621) 18.826 10.947 ( -0.774 17.350 5.132) 18.109 11.209 ( -1.645 5.721 14.010) 15.223 11.372 ( -4.464 5.063 12.536) 14.237 11.515 ( -17.317 1.465 4.357) 17.917 11.712 ( -1.503 3.028 19.970) 20.254 11.816 ( -15.812 14.728 14.670) 26.118 12.995 ( 19.772 41.125 -9.030) 46.516 13.845 ( -8.377 -5.008 4.347) 10.684 14.029 ( -13.012 3.773 -9.945) 16.807 14.535 ( -2.328 -0.782 -3.196) 4.031 15.055 ( 1.031 -5.203 -1.453) 5.500 15.505 ( 31.847 -6.549 -29.569) 43.948 15.967 ( 11.840 -35.946 -18.736) 42.230 16.371 ( -2.179 -9.640 -10.398) 14.346 16.632 ( 16.927 -11.908 1.702) 20.766 17.014 ( 10.683 4.700 -2.756) 11.992 17.264 ( 5.931 1.471 2.727) 6.691 17.525 ( 8.386 -5.734 -3.935) 10.894 17.664 ( 0.094 4.157 1.539) 4.434 17.899 ( 7.659 -0.208 -9.143) 11.929 18.238 ( -0.440 5.641 2.223) 6.079 18.679 ( -27.732 -1.074 -17.725) 32.930 19.011 ( -24.069 -1.335 -11.138) 26.555 19.730 ( -8.272 -4.837 14.446) 17.335 20.327 ( -10.694 -44.589 27.471) 53.452 21.246 ( 0.392 5.689 -3.800) 6.853 22.126 ( -3.533 18.717 -4.625) 19.601 22.740 ( -6.231 0.965 9.681) 11.554 25.461 ( 34.088 8.496 9.474) 36.385 ======================= Grid point 52 (40/175) ======================= q-point: ( 0.53 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.985 ( -10.602 29.464 19.714) 37.002 5.244 ( -24.308 11.374 22.254) 34.864 5.877 ( -21.546 -22.348 -14.226) 34.148 6.110 ( -4.788 -21.222 -6.911) 22.827 6.540 ( -14.499 -3.494 0.052) 14.914 8.235 ( -6.274 0.532 -1.109) 6.394 8.489 ( -1.449 -5.406 3.291) 6.493 9.033 ( 8.544 20.863 10.198) 24.744 9.901 ( 5.512 29.898 28.299) 41.534 10.224 ( 22.521 6.957 -5.029) 24.101 10.395 ( 7.041 7.717 0.635) 10.465 11.191 ( 2.488 -22.328 -26.095) 34.434 11.525 ( -18.768 -4.255 -4.433) 19.749 11.667 ( -4.767 -6.214 1.205) 7.924 11.822 ( 4.456 8.690 1.902) 9.949 12.006 ( 1.034 2.803 11.038) 11.435 12.197 ( -5.805 14.309 -9.577) 18.170 12.527 ( 0.802 -10.938 7.565) 13.323 12.767 ( -4.312 -7.812 -1.806) 9.104 12.883 ( 10.701 13.567 11.230) 20.608 13.386 ( 5.801 -11.830 -6.193) 14.558 13.703 ( -17.639 8.057 5.190) 20.075 13.957 ( -11.979 -14.163 -4.861) 19.176 14.303 ( -0.090 -0.747 -0.257) 0.795 14.653 ( 15.181 9.459 2.219) 18.024 15.051 ( 13.492 -6.088 -5.458) 15.776 15.167 ( -7.319 0.605 0.011) 7.344 15.854 ( 2.303 -5.627 -1.691) 6.311 16.812 ( -0.822 8.563 -19.888) 21.669 17.017 ( -2.415 -10.660 13.005) 16.988 17.487 ( 4.739 0.267 -2.183) 5.224 17.634 ( 4.289 1.511 1.797) 4.890 17.651 ( -3.162 1.258 -1.560) 3.744 18.064 ( 13.122 -0.240 3.158) 13.499 18.201 ( -2.466 -3.413 -2.614) 4.956 19.003 ( -21.095 7.144 -3.247) 22.507 19.739 ( -7.592 -7.143 3.278) 10.927 19.964 ( 2.696 -5.771 3.726) 7.379 21.635 ( -1.073 4.192 -0.864) 4.413 22.933 ( -4.985 2.491 2.131) 5.966 23.190 ( 8.162 0.170 1.977) 8.399 25.153 ( 9.466 -0.525 -3.651) 10.159 ======================= Grid point 53 (41/175) ======================= q-point: (-0.14 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -32.759 -45.228 -9.993) 56.732 2.881 ( -33.843 -41.367 -22.627) 58.039 4.756 ( -24.214 -78.734 -48.134) 95.406 6.729 ( -10.981 5.537 6.692) 14.000 7.035 ( -4.600 1.059 -3.087) 5.640 7.557 ( -3.848 3.938 10.909) 12.220 8.462 ( 0.463 15.042 1.516) 15.125 8.933 ( -5.426 7.584 9.504) 13.315 9.207 ( 2.146 -1.672 -2.977) 4.033 9.390 ( 7.783 -8.303 9.042) 14.535 9.784 ( -3.865 -9.065 -8.667) 13.124 10.265 ( -0.346 -21.523 -18.159) 28.163 10.983 ( -3.966 -22.584 -0.887) 22.946 11.274 ( 15.711 -13.782 -15.049) 25.753 11.363 ( 0.227 -10.023 -13.596) 16.893 11.516 ( -13.131 -4.648 -0.705) 13.947 11.608 ( -9.840 -15.188 -4.458) 18.638 11.888 ( -10.065 -14.058 -7.602) 18.887 12.147 ( -19.262 -18.519 -15.510) 30.895 13.527 ( 8.914 -7.506 6.366) 13.279 13.739 ( -2.975 2.849 -4.225) 5.901 14.165 ( 0.044 -10.190 9.753) 14.105 14.523 ( -4.606 0.818 10.426) 11.427 14.812 ( 2.359 26.971 14.443) 30.685 15.208 ( 17.409 22.168 18.056) 33.474 15.448 ( 7.132 8.751 18.726) 21.865 15.998 ( -0.421 26.510 2.399) 26.621 16.342 ( 17.494 17.059 -8.046) 25.725 17.112 ( 11.943 -4.187 -0.304) 12.659 17.314 ( 0.628 3.001 0.749) 3.156 17.392 ( 13.993 -0.076 -1.451) 14.068 17.620 ( 10.377 6.009 -0.503) 12.002 18.023 ( 0.621 -6.846 10.503) 12.553 18.255 ( -7.447 2.256 9.527) 12.301 18.624 ( -21.321 4.920 9.163) 23.722 18.993 ( -23.744 0.320 4.826) 24.231 19.598 ( -10.584 8.499 -17.305) 21.993 19.769 ( -0.105 13.578 -20.623) 24.692 21.401 ( 1.797 -9.646 3.153) 10.306 22.445 ( -4.626 -15.300 -0.096) 15.985 22.754 ( -2.476 -0.752 -10.232) 10.555 25.528 ( 22.836 1.420 1.031) 22.903 ======================= Grid point 54 (42/175) ======================= q-point: (-0.28 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -0.000 -26.455 -44.834) 52.057 3.118 ( -0.000 -32.360 -41.513) 52.636 5.726 ( -0.000 -71.347 -62.827) 95.066 6.486 ( 0.000 7.471 4.189) 8.565 6.971 ( -0.000 14.982 1.172) 15.027 7.318 ( 0.000 18.891 7.213) 20.221 8.516 ( -0.000 16.236 -2.099) 16.371 8.609 ( 0.000 -2.054 9.993) 10.202 9.335 ( 0.000 -7.864 6.316) 10.086 9.574 ( -0.000 -13.216 -19.252) 23.352 9.812 ( 0.000 -16.080 1.132) 16.120 10.695 ( -0.000 -18.972 -25.810) 32.033 10.900 ( 0.000 -26.811 0.301) 26.813 11.269 ( -0.000 -0.952 -0.735) 1.203 11.339 ( 0.000 -28.564 9.666) 30.155 11.800 ( -0.000 0.778 -18.996) 19.012 11.947 ( -0.000 -15.590 -18.675) 24.327 12.110 ( -0.000 -4.501 -15.754) 16.385 12.439 ( -0.000 -11.892 -29.839) 32.121 13.599 ( -0.000 10.795 -1.630) 10.917 13.656 ( 0.000 -16.933 17.707) 24.500 13.840 ( -0.000 4.483 -2.724) 5.245 14.427 ( 0.000 34.475 20.466) 40.092 14.487 ( -0.000 2.930 -2.284) 3.715 15.085 ( 0.000 8.279 27.855) 29.059 15.110 ( 0.000 9.677 3.635) 10.337 15.769 ( 0.000 16.592 16.284) 23.248 16.516 ( 0.000 14.969 4.459) 15.619 17.188 ( 0.000 2.202 7.761) 8.067 17.315 ( 0.000 -5.599 23.284) 23.948 17.417 ( -0.000 -5.314 -4.333) 6.856 17.686 ( 0.000 6.107 4.084) 7.347 17.810 ( 0.000 -0.046 2.639) 2.640 18.067 ( -0.000 -0.328 -1.438) 1.475 18.452 ( 0.000 -3.132 11.070) 11.504 18.574 ( -0.000 6.402 -5.702) 8.573 19.814 ( -0.000 7.094 -12.948) 14.764 20.222 ( -0.000 20.975 -20.343) 29.220 21.339 ( 0.000 -10.736 3.909) 11.426 22.451 ( 0.000 -15.658 -4.010) 16.163 22.964 ( -0.000 -3.475 -11.492) 12.005 25.614 ( 0.000 5.882 11.155) 12.611 ======================= Grid point 55 (43/175) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.000 47.355 -0.000) 47.355 1.261 ( -0.000 64.912 -0.000) 64.912 1.993 ( -0.000 101.774 -0.000) 101.774 6.785 ( 0.000 -3.073 0.000) 3.073 6.896 ( -0.000 2.090 -0.000) 2.090 7.599 ( -0.000 5.452 -0.000) 5.452 8.861 ( 0.000 -20.864 0.000) 20.864 9.125 ( 0.000 -0.026 0.000) 0.026 9.133 ( 0.000 -6.244 0.000) 6.244 9.460 ( 0.000 -0.120 0.000) 0.120 9.594 ( -0.000 3.126 -0.000) 3.126 9.835 ( -0.000 14.142 -0.000) 14.142 10.461 ( -0.000 17.774 -0.000) 17.774 10.935 ( -0.000 23.147 -0.000) 23.147 11.113 ( -0.000 12.205 -0.000) 12.205 11.114 ( -0.000 5.205 -0.000) 5.205 11.205 ( -0.000 10.539 -0.000) 10.539 11.314 ( -0.000 2.289 -0.000) 2.289 11.585 ( -0.000 5.526 -0.000) 5.526 13.698 ( 0.000 -5.027 0.000) 5.027 13.737 ( -0.000 0.903 -0.000) 0.903 14.490 ( 0.000 -2.106 0.000) 2.106 14.612 ( -0.000 4.062 -0.000) 4.062 14.896 ( -0.000 4.424 -0.000) 4.424 16.331 ( 0.000 -33.189 0.000) 33.189 16.421 ( 0.000 -36.253 0.000) 36.253 16.447 ( 0.000 -8.339 0.000) 8.339 16.596 ( 0.000 -12.892 0.000) 12.892 17.065 ( -0.000 5.876 -0.000) 5.876 17.506 ( -0.000 0.139 -0.000) 0.139 17.565 ( -0.000 6.459 -0.000) 6.459 17.733 ( -0.000 5.714 -0.000) 5.714 18.038 ( 0.000 -0.175 0.000) 0.175 18.121 ( -0.000 17.656 -0.000) 17.656 18.386 ( 0.000 -6.884 0.000) 6.884 18.487 ( 0.000 -1.255 0.000) 1.255 19.426 ( 0.000 -4.181 0.000) 4.181 19.556 ( 0.000 -0.267 0.000) 0.267 21.301 ( -0.000 6.683 -0.000) 6.683 22.178 ( -0.000 7.995 -0.000) 7.995 22.562 ( -0.000 1.990 -0.000) 1.990 25.952 ( 0.000 -4.356 0.000) 4.356 ======================= Grid point 56 (44/175) ======================= q-point: ( 0.39 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( 0.000 37.083 25.011) 44.730 4.737 ( -0.000 44.878 4.333) 45.087 6.039 ( -0.000 -18.676 -18.210) 26.084 6.467 ( -0.000 -20.017 -27.941) 34.371 6.479 ( -0.000 -2.871 -10.906) 11.277 8.137 ( 0.000 -2.384 2.468) 3.432 8.433 ( 0.000 38.819 20.820) 44.050 8.672 ( 0.000 24.860 7.434) 25.948 9.656 ( 0.000 5.395 2.183) 5.819 10.111 ( 0.000 11.727 28.666) 30.972 10.360 ( 0.000 -1.463 23.798) 23.843 11.335 ( -0.000 1.854 -2.353) 2.996 11.458 ( -0.000 23.874 -6.834) 24.833 11.834 ( 0.000 -16.183 0.797) 16.203 11.870 ( -0.000 14.918 -1.692) 15.014 12.056 ( -0.000 -15.626 -19.119) 24.693 12.247 ( -0.000 9.265 -6.330) 11.221 12.545 ( 0.000 -5.392 2.061) 5.773 12.556 ( 0.000 7.313 4.618) 8.649 13.013 ( -0.000 -5.559 -3.477) 6.557 13.127 ( 0.000 18.288 19.258) 26.558 13.542 ( 0.000 -10.846 -1.641) 10.969 13.926 ( 0.000 -18.927 -4.098) 19.365 14.343 ( -0.000 -3.317 -2.886) 4.397 14.905 ( -0.000 -0.123 -6.162) 6.163 15.195 ( -0.000 4.433 -3.534) 5.669 15.261 ( -0.000 -5.283 -7.641) 9.289 15.916 ( 0.000 -10.539 -1.359) 10.626 16.677 ( 0.000 -20.490 10.520) 23.033 17.210 ( -0.000 0.372 -14.976) 14.980 17.510 ( 0.000 -4.576 0.031) 4.576 17.592 ( 0.000 2.211 4.180) 4.729 17.919 ( -0.000 1.276 -18.583) 18.626 18.105 ( 0.000 1.466 2.361) 2.779 18.363 ( -0.000 -2.051 -0.787) 2.197 18.662 ( 0.000 -0.065 4.309) 4.310 19.559 ( 0.000 0.217 5.619) 5.623 19.900 ( 0.000 2.566 5.287) 5.877 21.658 ( -0.000 2.255 -2.279) 3.206 22.873 ( -0.000 7.305 -1.522) 7.462 23.141 ( 0.000 4.591 10.335) 11.309 25.321 ( -0.000 -8.516 -2.670) 8.925 ======================= Grid point 57 (45/175) ======================= q-point: ( 0.39 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.245 ( 22.357 21.602 7.515) 31.983 5.543 ( 8.389 22.446 -18.580) 30.322 5.917 ( 17.281 -4.040 -17.861) 25.179 6.227 ( 3.977 4.336 -16.326) 17.354 6.715 ( 18.091 1.847 -16.989) 24.886 8.187 ( 2.499 -0.117 3.125) 4.003 8.659 ( 3.392 9.481 -11.603) 15.363 9.126 ( -10.428 -3.397 -0.838) 10.999 9.707 ( -16.396 7.638 30.632) 35.574 10.233 ( 1.784 20.951 17.408) 27.298 10.314 ( -3.976 -8.577 9.911) 13.697 11.068 ( 0.371 -30.515 -20.757) 36.908 11.465 ( 0.495 0.923 -5.868) 5.960 11.644 ( -3.866 -9.392 4.940) 11.294 11.899 ( -1.905 0.340 -2.248) 2.966 12.024 ( 6.450 -17.178 5.011) 19.021 12.267 ( 9.907 14.169 -13.951) 22.216 12.606 ( -8.190 8.745 0.437) 11.989 12.745 ( -3.029 7.788 3.476) 9.050 13.042 ( -2.247 5.287 -5.123) 7.697 13.306 ( -8.226 -0.761 1.232) 8.353 13.704 ( 19.066 -0.895 6.511) 20.167 13.775 ( 8.595 6.079 9.667) 14.292 14.355 ( 2.883 1.823 -4.185) 5.399 14.751 ( -10.467 -5.334 -5.900) 13.146 14.955 ( -11.424 -3.223 4.468) 12.683 15.325 ( 4.763 -0.379 -14.050) 14.840 15.755 ( -6.295 1.130 6.914) 9.418 16.422 ( 9.256 -15.689 14.283) 23.148 17.208 ( -8.290 4.172 -5.108) 10.594 17.413 ( -0.562 -3.263 3.332) 4.697 17.653 ( 3.553 0.350 -1.966) 4.076 17.857 ( -5.756 -1.887 -13.762) 15.036 18.113 ( -9.381 5.306 -0.482) 10.788 18.178 ( 2.788 -2.847 -2.609) 4.763 18.896 ( 20.643 -9.518 6.687) 23.695 19.756 ( 7.755 10.794 1.711) 13.401 20.012 ( -2.768 12.666 -1.067) 13.009 21.638 ( 1.129 -5.080 -1.743) 5.488 22.936 ( -1.804 -4.314 6.113) 7.696 23.206 ( -2.343 9.379 -3.686) 10.346 25.073 ( -8.868 -7.136 4.039) 12.078 ======================= Grid point 58 (46/175) ======================= q-point: (-0.28 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 11.898 -11.833 -50.961) 53.653 3.111 ( 25.962 -23.634 -49.811) 60.940 4.855 ( 37.318 -40.492 -73.206) 91.604 6.748 ( 10.599 6.144 3.170) 12.654 7.156 ( -3.223 1.549 -8.206) 8.952 7.593 ( 3.037 3.584 -2.361) 5.258 8.494 ( -5.868 2.727 15.613) 16.901 8.845 ( -3.589 16.278 5.892) 17.680 9.222 ( -5.122 -1.715 -2.562) 5.978 9.362 ( -0.856 -2.965 -4.974) 5.854 9.574 ( 2.049 -7.052 0.536) 7.363 10.357 ( 10.998 -15.554 -14.648) 24.030 10.676 ( 11.100 -19.183 -6.372) 23.061 10.953 ( 15.451 -17.051 1.034) 23.034 11.427 ( 13.346 -0.279 -1.519) 13.435 11.613 ( -3.272 -7.651 -18.169) 19.984 11.887 ( 3.529 0.719 -28.749) 28.973 12.083 ( 2.353 2.242 -16.222) 16.544 12.335 ( 4.580 -6.337 -26.965) 28.076 12.935 ( -10.149 -29.070 -4.918) 31.181 13.903 ( 13.771 -0.713 1.715) 13.896 13.981 ( 4.223 4.765 -6.165) 8.863 14.507 ( -3.835 2.638 1.023) 4.766 14.836 ( -27.596 6.920 26.480) 38.866 14.991 ( -4.752 13.583 13.157) 19.499 15.507 ( -2.370 28.757 19.149) 34.630 16.088 ( 1.874 7.127 19.841) 21.165 16.581 ( -14.615 -0.229 7.687) 16.515 16.818 ( -10.799 -11.622 17.132) 23.350 17.178 ( 0.441 -5.196 11.851) 12.948 17.401 ( 0.023 -0.241 3.366) 3.375 17.651 ( -8.632 -1.379 -4.279) 9.733 17.852 ( -7.146 12.936 0.467) 14.786 18.245 ( 8.591 3.595 2.188) 9.566 18.435 ( 9.247 -3.905 6.512) 11.965 18.868 ( 14.274 1.311 4.139) 14.920 20.027 ( 10.898 3.012 -12.973) 17.208 20.749 ( 0.468 31.000 -15.356) 34.598 21.169 ( -0.483 -4.898 3.457) 6.015 22.109 ( 1.291 -21.347 -2.848) 21.574 22.959 ( 6.160 -2.137 -10.447) 12.315 25.487 ( -19.790 1.374 6.052) 20.740 ======================= Grid point 59 (47/175) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 50.809 37.254 -0.000) 63.003 2.768 ( 24.709 56.492 -0.000) 61.659 4.169 ( 26.694 89.907 -0.000) 93.786 6.836 ( 11.860 -5.641 0.000) 13.133 6.966 ( 1.294 3.172 -0.000) 3.426 7.703 ( 2.811 4.799 -0.000) 5.562 8.473 ( 2.904 -17.962 0.000) 18.195 8.999 ( 2.348 -9.560 0.000) 9.844 9.248 ( 8.763 1.094 0.000) 8.831 9.488 ( 3.521 0.544 0.000) 3.563 9.642 ( -4.000 3.624 -0.000) 5.398 10.126 ( -9.225 27.268 -0.000) 28.786 10.977 ( -22.622 12.173 -0.000) 25.689 11.003 ( 4.924 25.924 -0.000) 26.388 11.210 ( -1.694 7.032 -0.000) 7.233 11.503 ( 11.840 2.099 0.000) 12.024 11.595 ( 15.375 25.421 -0.000) 29.709 11.864 ( 15.025 19.721 -0.000) 24.792 11.942 ( 19.487 15.253 -0.000) 24.747 13.633 ( -11.904 11.634 -0.000) 16.645 13.650 ( 8.610 -9.475 0.000) 12.803 14.260 ( -8.224 4.140 -0.000) 9.207 14.720 ( 2.103 2.988 -0.000) 3.654 14.951 ( -0.748 -12.355 0.000) 12.378 15.441 ( -17.020 -33.476 0.000) 37.555 15.743 ( -6.867 -18.419 0.000) 19.657 16.071 ( -11.595 -31.328 0.000) 33.405 16.104 ( -12.395 -14.476 0.000) 19.058 17.103 ( -8.077 4.406 -0.000) 9.200 17.343 ( -9.502 10.544 -0.000) 14.193 17.355 ( -5.179 -11.181 0.000) 12.323 17.602 ( -15.535 -2.957 -0.000) 15.814 18.128 ( -2.207 2.095 -0.000) 3.043 18.392 ( 8.897 -0.220 0.000) 8.900 18.806 ( 23.405 -8.467 0.000) 24.890 18.943 ( 45.855 -10.277 0.000) 46.992 19.390 ( 4.115 -3.556 0.000) 5.438 19.527 ( -2.655 -0.268 -0.000) 2.668 21.439 ( -2.308 8.671 -0.000) 8.972 22.455 ( 6.040 14.343 -0.000) 15.562 22.629 ( 1.679 0.621 0.000) 1.791 25.525 ( -26.261 1.757 -0.000) 26.319 ======================= Grid point 60 (48/175) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( 43.854 35.401 -0.000) 56.360 4.294 ( 25.861 48.337 -0.000) 54.820 6.416 ( 38.793 71.170 -0.000) 81.056 6.946 ( 7.869 -2.574 0.000) 8.279 7.023 ( -0.846 0.931 -0.000) 1.258 7.952 ( 21.046 -2.159 0.000) 21.156 8.368 ( 11.908 -7.807 0.000) 14.239 8.844 ( 0.812 -8.698 0.000) 8.736 9.405 ( -12.735 8.858 -0.000) 15.513 9.617 ( 11.454 -4.688 0.000) 12.376 9.663 ( 11.781 2.176 0.000) 11.980 10.535 ( -11.030 33.615 -0.000) 35.378 10.701 ( -26.679 9.136 -0.000) 28.200 11.282 ( -3.113 5.541 -0.000) 6.355 11.346 ( -6.422 12.752 -0.000) 14.278 12.005 ( 19.311 13.057 -0.000) 23.311 12.307 ( 1.903 9.392 -0.000) 9.583 12.500 ( 22.138 24.164 -0.000) 32.772 12.821 ( 30.816 19.686 -0.000) 36.568 13.556 ( 2.057 -16.829 0.000) 16.954 13.588 ( -4.082 -7.903 0.000) 8.895 14.227 ( -7.256 8.507 -0.000) 11.181 14.379 ( -8.489 -39.403 0.000) 40.307 14.539 ( 3.453 -20.101 0.000) 20.395 14.709 ( -17.832 -1.109 -0.000) 17.867 15.025 ( -25.731 -21.229 0.000) 33.358 15.645 ( -7.340 -7.280 0.000) 10.338 15.697 ( 4.779 0.416 0.000) 4.797 16.868 ( -15.943 -11.889 0.000) 19.888 16.941 ( -13.784 1.009 -0.000) 13.821 17.395 ( -1.726 -0.210 -0.000) 1.739 17.469 ( 0.594 8.906 -0.000) 8.926 18.123 ( -1.920 0.285 -0.000) 1.941 18.473 ( 7.813 -6.967 0.000) 10.469 19.012 ( 19.433 -14.454 0.000) 24.219 19.426 ( -5.319 3.824 -0.000) 6.551 19.463 ( 5.803 1.562 0.000) 6.010 19.487 ( 24.417 -8.851 0.000) 25.972 21.541 ( -4.726 9.763 -0.000) 10.846 22.561 ( -3.981 -6.891 0.000) 7.958 22.932 ( 11.345 15.729 -0.000) 19.394 25.047 ( -22.830 -1.437 -0.000) 22.876 ======================= Grid point 61 (49/175) ======================= q-point: (-0.61 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.369 ( 11.462 -17.045 -38.037) 43.229 6.176 ( 27.856 -10.794 -21.330) 36.707 6.501 ( 14.233 18.193 0.073) 23.099 6.893 ( 14.287 33.895 -1.274) 36.805 7.116 ( 13.472 2.970 -16.739) 21.691 8.061 ( -15.024 -9.060 6.780) 18.809 8.493 ( -3.368 -9.543 -1.696) 10.261 9.179 ( 13.668 7.476 -15.313) 21.845 9.484 ( -2.064 -8.912 12.908) 15.821 9.723 ( -20.637 -7.367 -10.323) 24.222 10.277 ( 10.902 -28.134 -31.842) 43.867 10.874 ( -9.631 -8.396 11.288) 17.049 11.347 ( -2.357 17.213 19.205) 25.898 11.676 ( 9.472 -22.602 1.751) 24.569 11.686 ( 0.032 0.068 1.952) 1.954 12.192 ( 9.050 8.295 1.874) 12.419 12.440 ( -17.413 7.297 4.794) 19.479 12.666 ( 4.077 4.751 6.373) 8.934 12.795 ( 0.076 -3.771 -9.691) 10.399 13.002 ( -21.251 -7.100 20.885) 30.630 13.083 ( 5.195 13.202 -14.160) 20.045 13.765 ( 11.856 -11.851 -1.925) 16.874 14.226 ( 0.248 15.361 4.720) 16.072 14.311 ( -3.232 -4.351 -3.489) 6.446 14.767 ( 9.927 7.088 -11.323) 16.643 14.810 ( -4.790 4.199 4.101) 7.576 15.418 ( 6.113 -4.123 -11.284) 13.479 15.671 ( -8.684 4.867 16.507) 19.276 16.344 ( 6.101 -7.978 12.874) 16.328 16.920 ( -21.411 -0.411 0.145) 21.415 17.403 ( 1.050 -2.526 3.189) 4.201 17.648 ( -2.797 -2.692 -5.261) 6.538 17.755 ( -0.184 1.512 -9.982) 10.097 18.108 ( 1.112 1.786 -2.609) 3.352 18.311 ( 9.255 2.608 1.204) 9.691 19.046 ( 15.904 -10.171 6.505) 19.967 20.121 ( 0.234 16.445 -4.735) 17.115 20.333 ( 3.418 18.116 -0.589) 18.445 21.494 ( -0.249 -11.556 -2.575) 11.842 22.754 ( -0.274 -5.536 11.301) 12.588 23.363 ( 0.510 5.172 -11.890) 12.977 24.723 ( -14.442 -4.423 9.018) 17.591 ======================= Grid point 62 (50/175) ======================= q-point: (-0.28 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 33.005 0.000 -39.644) 51.584 3.156 ( 24.603 0.000 -46.720) 52.802 5.660 ( 68.594 0.000 -60.336) 91.354 6.973 ( 1.250 -0.000 4.773) 4.934 6.996 ( -7.672 0.000 -6.961) 10.360 7.487 ( -11.701 -0.000 5.365) 12.873 8.478 ( 0.617 -0.000 17.000) 17.012 8.936 ( -8.181 0.000 -4.897) 9.534 9.299 ( 11.943 -0.000 4.355) 12.712 9.417 ( -0.149 0.000 -5.052) 5.055 9.477 ( 11.709 -0.000 3.001) 12.087 10.606 ( 6.722 -0.000 2.007) 7.015 10.698 ( 23.697 0.000 -22.105) 32.407 11.216 ( 24.473 0.000 -7.622) 25.633 11.503 ( 3.390 0.000 -13.249) 13.675 11.693 ( 7.714 0.000 -9.626) 12.335 11.990 ( 10.061 0.000 -12.772) 16.259 12.196 ( -11.157 0.000 -24.929) 27.312 12.409 ( 13.425 0.000 -27.704) 30.786 12.531 ( 13.006 0.000 -3.481) 13.464 13.958 ( -33.337 -0.000 33.573) 47.313 14.167 ( -0.992 -0.000 2.874) 3.040 14.172 ( 7.711 0.000 -4.752) 9.058 14.641 ( -0.548 -0.000 2.889) 2.940 14.956 ( -10.589 -0.000 5.897) 12.121 15.661 ( -24.449 -0.000 13.900) 28.124 16.076 ( -3.014 -0.000 26.972) 27.140 16.219 ( -3.517 -0.000 10.481) 11.055 16.559 ( -13.547 -0.000 5.854) 14.757 17.093 ( -11.851 -0.000 -1.329) 11.925 17.309 ( -6.520 -0.000 1.866) 6.781 17.414 ( -7.328 -0.000 9.315) 11.852 17.992 ( 3.423 -0.000 2.538) 4.261 18.208 ( -7.174 0.000 -8.155) 10.861 18.752 ( 19.268 -0.000 16.379) 25.289 19.128 ( 10.232 -0.000 6.721) 12.242 20.307 ( 13.033 0.000 -12.160) 17.825 21.088 ( -0.392 0.000 -0.638) 0.749 21.234 ( -0.278 0.000 -0.620) 0.680 21.797 ( 2.275 0.000 -1.328) 2.634 23.140 ( 13.348 0.000 -9.044) 16.123 25.038 ( -23.640 0.000 -5.460) 24.262 ======================= Grid point 63 (51/175) ======================= q-point: (-0.28 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 42.284 14.424 -18.852) 48.491 4.144 ( 28.261 30.578 -31.888) 52.445 6.758 ( -2.765 4.325 12.724) 13.720 6.864 ( -2.594 2.091 -2.297) 4.047 7.150 ( 20.674 5.762 -10.858) 24.052 7.511 ( 21.057 22.015 -19.038) 35.923 8.482 ( 4.548 -4.345 11.491) 13.100 8.774 ( 4.701 -12.657 -6.180) 14.849 9.312 ( -0.809 2.191 -5.463) 5.941 9.626 ( 16.779 -9.877 5.518) 20.237 9.745 ( 4.634 7.621 -4.922) 10.187 10.809 ( 3.930 8.234 1.847) 9.309 10.960 ( 12.302 -12.727 -16.096) 23.925 11.613 ( 2.334 0.493 -4.662) 5.237 11.768 ( 17.691 6.423 -24.502) 30.896 11.798 ( 2.563 1.858 -9.268) 9.793 12.066 ( 5.907 6.415 -12.051) 14.875 12.435 ( 5.949 22.304 -1.315) 23.121 12.630 ( 11.128 0.407 -17.632) 20.854 12.947 ( -22.601 -2.019 25.644) 34.242 13.278 ( 3.010 15.418 2.614) 15.925 14.178 ( -4.644 -6.068 9.246) 11.994 14.285 ( 3.827 -1.156 -2.977) 4.985 14.465 ( -5.272 -9.989 8.612) 14.204 14.767 ( -3.828 -5.912 10.511) 12.653 15.182 ( -11.359 -0.530 1.762) 11.507 15.786 ( -10.215 -13.299 18.189) 24.740 16.138 ( -10.670 -8.301 -7.468) 15.444 16.257 ( -12.885 2.184 10.128) 16.534 16.811 ( -15.149 6.807 -9.445) 19.106 17.283 ( -5.313 9.755 8.620) 14.060 17.376 ( 0.795 -0.403 13.107) 13.137 17.851 ( 2.218 -11.197 -5.086) 12.496 18.205 ( -4.061 4.192 0.427) 5.852 19.043 ( 8.459 -0.356 12.726) 15.285 19.287 ( 5.378 2.493 3.263) 6.767 20.440 ( 7.970 -12.495 -12.088) 19.125 20.811 ( 2.293 -22.041 -2.800) 22.336 21.133 ( -1.067 1.094 4.134) 4.408 22.257 ( 6.101 27.138 2.558) 27.933 23.376 ( 13.333 -6.151 -9.165) 17.309 24.596 ( -20.893 -0.432 -5.372) 21.577 ======================= Grid point 64 (52/175) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.511 ( 30.718 31.705 -0.000) 44.145 5.608 ( 20.068 39.301 -0.000) 44.128 6.816 ( -3.727 -8.013 0.000) 8.838 6.918 ( -7.918 -4.656 -0.000) 9.185 8.332 ( 39.326 -0.988 0.000) 39.338 8.413 ( 13.163 -18.742 0.000) 22.902 8.642 ( 38.374 44.736 -0.000) 58.939 8.961 ( 10.323 16.693 -0.000) 19.627 9.148 ( -17.356 7.669 -0.000) 18.975 9.797 ( 7.212 -5.069 0.000) 8.815 9.951 ( 16.538 -6.729 0.000) 17.854 10.292 ( -30.399 8.299 -0.000) 31.511 10.873 ( -19.488 28.734 -0.000) 34.719 11.305 ( -3.541 3.621 -0.000) 5.065 11.400 ( -7.123 7.764 -0.000) 10.536 12.172 ( -24.142 -9.837 -0.000) 26.069 12.473 ( 11.035 3.007 0.000) 11.437 12.939 ( -5.075 -21.413 0.000) 22.006 13.168 ( 3.084 -23.601 0.000) 23.802 13.375 ( 14.933 14.253 -0.000) 20.643 13.502 ( -5.079 -30.279 0.000) 30.702 13.680 ( 15.433 10.819 -0.000) 18.847 14.279 ( -4.693 1.246 -0.000) 4.855 14.372 ( -13.015 -0.424 -0.000) 13.022 14.462 ( 8.539 4.672 0.000) 9.733 14.599 ( 5.783 7.712 -0.000) 9.639 15.373 ( -6.906 -11.029 0.000) 13.012 15.909 ( 6.244 8.478 -0.000) 10.529 16.256 ( -24.276 -11.463 -0.000) 26.846 16.639 ( -12.142 -6.097 -0.000) 13.587 17.548 ( 9.243 4.017 0.000) 10.078 17.643 ( 2.394 4.824 -0.000) 5.385 18.126 ( 0.239 5.017 -0.000) 5.022 18.452 ( 5.434 -9.504 0.000) 10.947 19.007 ( 12.674 -17.827 0.000) 21.873 19.327 ( -10.173 6.802 -0.000) 12.238 19.682 ( 6.144 8.445 -0.000) 10.443 19.757 ( 13.611 -4.986 0.000) 14.495 21.676 ( -3.215 13.488 -0.000) 13.866 22.201 ( -10.035 -14.509 0.000) 17.641 23.456 ( 13.558 11.996 -0.000) 18.103 24.573 ( -19.062 -5.323 -0.000) 19.791 ======================= Grid point 65 (53/175) ======================= q-point: (-0.61 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.329 ( 12.765 -12.828 -34.673) 39.111 6.223 ( 10.270 -25.691 -26.075) 38.018 6.630 ( -14.461 -9.806 -12.322) 21.380 6.885 ( -22.384 -11.940 10.895) 27.611 7.317 ( 0.397 2.458 -12.944) 13.182 8.201 ( 13.489 25.295 -0.151) 28.668 8.690 ( 15.871 -1.507 2.164) 16.088 9.169 ( 11.726 -7.743 8.105) 16.222 9.438 ( -9.048 4.406 2.375) 10.340 9.546 ( 2.675 2.558 -15.239) 15.682 10.086 ( 20.249 -25.611 -33.126) 46.511 10.738 ( 0.933 8.857 2.606) 9.280 11.355 ( -5.552 -15.470 6.705) 17.751 11.495 ( -12.907 0.563 10.771) 16.820 11.734 ( -2.319 3.969 0.637) 4.641 11.877 ( -9.685 0.931 15.786) 18.544 12.403 ( -7.072 2.720 6.849) 10.214 12.568 ( -4.272 -7.713 -12.924) 15.645 12.681 ( -0.293 -0.265 13.569) 13.575 13.140 ( 12.690 0.137 2.766) 12.988 13.453 ( 3.275 6.779 5.025) 9.052 13.768 ( 4.818 6.581 -12.518) 14.941 14.081 ( 8.133 -13.196 -3.804) 15.961 14.599 ( -4.557 18.256 -1.693) 18.892 14.720 ( -6.796 3.293 3.555) 8.347 15.095 ( 10.758 -0.842 -15.222) 18.659 15.312 ( -7.000 -5.745 -1.939) 9.261 15.565 ( -6.032 -0.962 16.810) 17.885 16.390 ( 6.360 -1.660 5.108) 8.325 16.506 ( -18.516 2.829 2.664) 18.920 17.311 ( -5.159 -1.626 -3.833) 6.629 17.540 ( 1.667 -6.955 -2.000) 7.426 17.857 ( 4.087 4.197 -6.446) 8.710 18.104 ( -3.542 -2.203 5.018) 6.526 18.607 ( 13.646 3.246 2.118) 14.186 19.171 ( 13.218 -6.207 6.131) 15.838 20.452 ( -6.162 24.419 -7.928) 26.403 20.682 ( 0.903 11.287 0.206) 11.325 21.219 ( -2.819 -9.977 -4.120) 11.156 22.776 ( 11.560 -10.885 4.474) 16.497 23.384 ( -1.615 2.170 -3.964) 4.799 24.401 ( -13.937 1.442 8.659) 16.471 ======================= Grid point 66 (54/175) ======================= q-point: ( 0.39 -0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.115 ( -14.715 -17.380 -2.167) 22.876 5.494 ( -30.335 -15.400 -14.540) 36.997 6.219 ( 3.207 -4.571 -20.972) 21.703 6.529 ( 2.802 -10.469 -10.054) 14.783 7.190 ( -4.599 -6.919 -15.113) 17.246 8.562 ( 1.375 2.836 -12.581) 12.970 8.878 ( 1.745 -3.898 8.320) 9.353 9.344 ( 0.412 1.306 20.778) 20.823 9.450 ( -4.343 12.582 9.342) 16.262 9.781 ( -5.571 -0.544 6.036) 8.232 9.891 ( -7.693 -3.156 8.364) 11.794 10.825 ( 10.443 -5.618 -4.534) 12.695 11.000 ( 17.069 -4.450 -16.254) 23.987 11.483 ( -8.257 14.587 -0.401) 16.766 11.782 ( -1.691 5.528 -9.171) 10.840 11.962 ( -2.675 4.761 7.145) 8.993 12.259 ( -1.255 -11.139 8.899) 14.312 12.355 ( -5.778 -5.890 5.360) 9.839 12.738 ( -12.391 -17.742 8.395) 23.212 12.866 ( 6.291 12.435 3.304) 14.322 13.611 ( 9.584 -16.925 -5.265) 20.150 13.983 ( -4.145 6.290 -9.258) 11.936 14.195 ( 11.375 3.640 6.281) 13.494 14.636 ( -5.793 2.746 -1.749) 6.645 14.798 ( -11.047 6.497 -7.402) 14.800 15.022 ( -3.682 2.513 -0.317) 4.469 15.260 ( 9.468 -1.495 -21.827) 23.840 15.583 ( 10.352 3.524 21.651) 24.256 16.272 ( -10.206 5.382 -6.391) 13.190 16.508 ( 4.703 -4.585 7.190) 9.738 17.155 ( -1.318 -6.501 -9.921) 11.934 17.456 ( -1.634 -2.442 -2.345) 3.759 17.900 ( -1.420 -5.028 11.966) 13.057 18.057 ( 2.175 4.683 -0.997) 5.259 18.908 ( 11.330 1.381 -0.343) 11.419 19.297 ( 7.284 -2.852 3.054) 8.397 20.755 ( -7.951 10.714 0.055) 13.342 20.862 ( -0.303 17.025 -2.739) 17.246 21.118 ( -0.259 2.796 -5.423) 6.107 22.463 ( -2.104 -27.108 -9.226) 28.712 23.613 ( 8.469 9.730 12.017) 17.630 24.212 ( -8.727 1.110 4.905) 10.072 ======================= Grid point 67 (55/175) ======================= q-point: (-0.28 -0.06 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.061 ( 38.269 21.377 -4.047) 44.022 5.321 ( 24.952 38.493 -21.592) 50.700 6.603 ( -16.872 8.576 18.456) 26.436 6.900 ( -5.578 11.597 9.353) 15.909 7.404 ( -3.107 14.758 16.756) 22.544 8.427 ( 1.676 -9.466 7.033) 11.911 8.633 ( 14.975 -19.238 -4.882) 24.864 8.931 ( 47.464 16.555 -30.906) 59.009 9.438 ( -5.768 15.505 -11.574) 20.190 9.624 ( 10.909 -1.445 0.509) 11.016 9.803 ( -6.912 -6.284 1.455) 9.454 10.725 ( 7.785 -19.924 -4.023) 21.766 11.183 ( 2.963 16.122 -10.252) 19.334 11.656 ( -0.664 1.078 -1.272) 1.795 11.826 ( -1.991 0.748 5.481) 5.879 11.914 ( -18.941 2.363 -1.564) 19.152 12.283 ( -3.421 -1.058 -8.163) 8.913 12.397 ( -1.764 7.015 -0.133) 7.235 12.714 ( 2.265 -6.854 -1.634) 7.401 13.091 ( 4.510 29.033 2.690) 29.504 13.756 ( -5.686 -12.456 12.917) 18.824 13.958 ( 1.639 5.566 -0.580) 5.831 14.151 ( 8.742 -22.199 7.625) 25.047 14.378 ( 7.922 8.697 -9.910) 15.382 14.578 ( 0.754 -6.387 5.179) 8.257 15.030 ( -8.261 -2.666 1.662) 8.838 15.464 ( -3.842 3.589 13.935) 14.894 15.736 ( -12.561 -5.219 -14.874) 20.156 16.065 ( -4.486 -3.707 7.533) 9.519 16.711 ( -8.177 1.315 -9.742) 12.787 17.352 ( -4.445 4.672 18.555) 19.643 17.495 ( 3.053 8.997 1.345) 9.596 17.798 ( 8.243 -4.733 -4.867) 10.679 18.145 ( -6.532 2.442 3.314) 7.721 19.039 ( -4.692 -2.669 3.252) 6.301 19.444 ( 0.639 5.209 1.159) 5.375 20.100 ( 7.488 -27.917 -1.427) 28.939 20.635 ( 4.045 -10.017 -4.410) 11.668 21.178 ( -1.840 7.693 3.185) 8.528 22.922 ( 7.195 24.108 1.356) 25.195 23.313 ( 4.621 -17.997 -9.210) 20.739 24.258 ( -11.788 0.428 -1.980) 11.960 ======================= Grid point 68 (56/175) ======================= q-point: ( 0.06 -0.06 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.402 ( -17.499 -14.917 0.000) 22.995 6.421 ( -14.686 -12.415 0.000) 19.230 6.492 ( 14.854 21.892 -0.000) 26.456 6.572 ( 3.816 21.841 -0.000) 22.172 8.388 ( 17.182 -10.343 0.000) 20.055 8.714 ( 10.439 -7.231 0.000) 12.698 8.938 ( 16.583 -10.693 0.000) 19.732 9.563 ( -7.820 -10.668 0.000) 13.227 9.581 ( 0.695 -9.504 0.000) 9.529 9.760 ( 3.862 14.351 -0.000) 14.862 10.024 ( -18.002 -4.722 -0.000) 18.610 10.455 ( 22.846 40.845 -0.000) 46.800 10.915 ( -6.703 16.561 -0.000) 17.866 10.924 ( -43.073 -28.612 0.000) 51.710 11.313 ( -4.715 2.477 -0.000) 5.326 11.387 ( -7.502 6.169 -0.000) 9.712 12.623 ( 4.502 -16.710 0.000) 17.306 12.733 ( 12.646 0.784 0.000) 12.670 13.033 ( 14.884 -2.969 0.000) 15.177 13.122 ( 8.101 -6.121 0.000) 10.153 13.816 ( -1.298 8.265 -0.000) 8.366 13.878 ( -6.426 4.026 -0.000) 7.582 14.131 ( -2.786 -7.014 0.000) 7.547 14.156 ( -1.160 -1.112 0.000) 1.607 14.964 ( 17.804 7.213 0.000) 19.210 14.986 ( -9.211 -8.932 0.000) 12.831 15.224 ( 19.490 23.750 -0.000) 30.724 15.456 ( -30.762 -14.650 -0.000) 34.072 16.231 ( 8.577 8.767 -0.000) 12.264 16.260 ( -11.652 -7.890 0.000) 14.072 17.682 ( 2.455 -2.556 0.000) 3.545 17.735 ( 2.380 0.333 0.000) 2.403 18.244 ( -4.220 -14.458 0.000) 15.061 18.389 ( 8.509 8.346 -0.000) 11.919 18.881 ( 10.298 -15.007 0.000) 18.200 19.350 ( -4.670 10.292 -0.000) 11.302 19.837 ( 0.097 0.107 -0.000) 0.144 19.980 ( 0.981 13.071 -0.000) 13.108 21.714 ( -7.851 -14.351 0.000) 16.358 21.978 ( 1.993 19.094 -0.000) 19.198 23.901 ( 14.281 5.384 0.000) 15.263 24.070 ( -16.967 -10.602 0.000) 20.007 ======================= Grid point 69 (57/175) ======================= q-point: ( 0.06 -0.06 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.468 ( -28.999 -31.918 0.000) 43.125 5.526 ( -33.404 -23.086 0.000) 40.605 6.938 ( 2.854 8.004 -0.000) 8.498 7.023 ( -1.201 15.882 -0.000) 15.927 8.545 ( -27.917 -33.505 0.000) 43.611 8.604 ( -8.863 -25.991 0.000) 27.460 8.681 ( 0.248 -19.965 0.000) 19.966 8.867 ( 6.237 3.178 0.000) 7.000 9.177 ( -24.171 3.677 -0.000) 24.449 9.593 ( 12.891 0.907 0.000) 12.923 10.042 ( -7.706 -18.380 0.000) 19.930 10.323 ( -1.334 16.876 -0.000) 16.929 10.476 ( -19.840 4.352 -0.000) 20.312 11.276 ( -2.849 -0.512 -0.000) 2.895 11.345 ( -6.467 4.606 -0.000) 7.940 11.848 ( 26.530 10.585 0.000) 28.564 12.392 ( 0.308 -14.019 0.000) 14.022 12.977 ( 9.630 -2.622 0.000) 9.980 13.432 ( 1.582 3.087 -0.000) 3.469 13.438 ( 16.909 5.756 0.000) 17.862 13.664 ( -6.128 -10.062 0.000) 11.781 13.784 ( 11.563 11.086 -0.000) 16.019 14.013 ( 2.708 -4.978 0.000) 5.666 14.331 ( 1.150 16.549 -0.000) 16.589 14.461 ( -26.744 -16.786 0.000) 31.575 14.902 ( -5.782 7.988 -0.000) 9.861 15.374 ( 11.709 4.428 0.000) 12.518 15.929 ( -8.394 -3.754 -0.000) 9.195 16.013 ( 19.804 15.664 -0.000) 25.249 16.549 ( 9.733 4.429 0.000) 10.694 17.597 ( -3.135 -5.012 0.000) 5.911 17.669 ( -12.666 -7.059 -0.000) 14.500 17.887 ( 7.357 -10.225 0.000) 12.597 18.510 ( 6.574 -9.289 0.000) 11.380 19.024 ( 11.808 4.867 0.000) 12.772 19.477 ( 0.429 5.209 -0.000) 5.227 19.803 ( -12.956 10.254 -0.000) 16.523 20.175 ( -8.534 14.543 -0.000) 16.862 21.414 ( -0.757 -7.932 0.000) 7.968 22.438 ( 3.126 20.196 -0.000) 20.436 23.491 ( -15.948 -15.577 0.000) 22.293 24.229 ( 16.531 -2.273 0.000) 16.686 ======================= Grid point 70 (58/175) ======================= q-point: ( 0.39 -0.06 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( -32.599 -0.000 20.406) 38.459 4.643 ( -42.266 -0.000 4.840) 42.542 6.437 ( 17.362 0.000 -28.758) 33.593 6.606 ( 14.107 0.000 -9.915) 17.243 7.056 ( 1.070 0.000 -14.614) 14.653 8.454 ( -45.996 -0.000 26.627) 53.147 8.639 ( -22.134 -0.000 4.425) 22.572 8.824 ( 0.924 -0.000 7.081) 7.141 9.540 ( -5.300 -0.000 12.669) 13.733 9.542 ( 3.099 -0.000 10.235) 10.694 10.050 ( -6.812 -0.000 4.390) 8.104 10.774 ( -0.317 0.000 -6.593) 6.601 11.502 ( -2.976 0.000 -0.809) 3.084 11.648 ( 1.580 0.000 -0.075) 1.581 11.859 ( -4.144 -0.000 7.448) 8.523 11.910 ( -7.592 -0.000 4.396) 8.773 11.944 ( 5.568 0.000 -1.694) 5.820 12.205 ( 21.754 0.000 -12.867) 25.275 12.338 ( -14.027 -0.000 17.717) 22.597 13.004 ( -12.967 -0.000 18.073) 22.244 13.413 ( -7.315 0.000 -7.096) 10.191 14.098 ( 6.889 0.000 -9.155) 11.458 14.323 ( 2.726 0.000 -1.411) 3.069 14.551 ( -4.016 0.000 -6.056) 7.267 14.657 ( 0.185 0.000 -6.860) 6.863 15.086 ( 2.017 -0.000 1.976) 2.824 15.599 ( 20.900 0.000 -22.727) 30.875 15.951 ( 14.860 -0.000 3.357) 15.234 16.315 ( -2.881 -0.000 0.570) 2.937 16.384 ( 6.125 -0.000 7.045) 9.336 17.096 ( 3.103 0.000 -8.760) 9.293 17.399 ( -1.242 0.000 -6.321) 6.442 17.910 ( 5.891 -0.000 11.782) 13.173 18.122 ( -0.757 0.000 -1.981) 2.121 19.083 ( 4.460 0.000 -4.334) 6.219 19.323 ( -1.163 0.000 -1.624) 1.997 20.693 ( -6.904 -0.000 2.931) 7.501 21.060 ( 0.964 -0.000 2.145) 2.351 21.249 ( -1.216 0.000 -2.060) 2.392 21.984 ( -6.597 0.000 -11.511) 13.268 23.722 ( -11.570 -0.000 10.499) 15.623 24.246 ( 14.055 -0.000 6.644) 15.546 ======================= Grid point 71 (59/175) ======================= q-point: (-0.28 -0.06 0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.869 ( -1.619 23.080 4.605) 23.590 6.524 ( 2.315 10.318 4.981) 11.689 6.612 ( 26.144 22.139 -13.498) 36.822 7.026 ( -7.429 10.770 13.104) 18.518 7.522 ( -10.009 8.415 15.279) 20.111 7.962 ( -15.064 -20.379 -1.535) 25.389 8.654 ( 17.366 -12.144 22.364) 30.809 9.245 ( -3.989 -17.950 10.030) 20.946 9.334 ( -6.328 5.953 -11.068) 14.070 9.800 ( -9.105 12.964 -4.769) 16.544 10.424 ( 18.683 4.086 -13.336) 23.315 10.732 ( 20.412 22.598 -1.808) 30.506 11.354 ( -22.657 2.369 12.069) 25.780 11.469 ( 4.741 2.509 -10.265) 11.582 11.698 ( -2.839 -8.541 -12.105) 15.085 11.881 ( 4.737 4.885 -3.871) 7.829 12.183 ( -1.768 -0.436 -8.504) 8.697 12.454 ( 5.572 -5.827 -19.877) 21.450 12.717 ( 2.385 6.334 17.606) 18.862 13.334 ( -17.648 -12.052 3.118) 21.597 13.408 ( -8.510 -16.403 11.614) 21.825 13.748 ( 5.844 16.930 6.056) 18.907 13.989 ( 14.124 -22.321 6.367) 27.171 14.494 ( 3.947 -6.875 -3.209) 8.552 14.763 ( -14.783 16.887 -1.031) 22.467 15.227 ( 14.517 8.973 -7.955) 18.829 15.366 ( -15.464 1.689 5.909) 16.641 15.604 ( 0.952 4.995 -4.106) 6.536 16.045 ( 13.067 -4.227 2.298) 13.925 16.502 ( -5.247 -5.954 -14.178) 16.248 17.342 ( -1.651 2.460 11.002) 11.394 17.683 ( 2.100 0.269 7.635) 7.923 17.864 ( -0.956 4.537 3.595) 5.867 18.168 ( -1.620 6.667 3.094) 7.527 18.789 ( -12.769 -4.105 -2.981) 13.739 19.442 ( -2.351 -2.240 -0.909) 3.372 19.878 ( 8.007 -10.771 4.617) 14.193 20.453 ( 0.196 -13.690 -4.203) 14.322 21.406 ( 1.482 16.163 0.071) 16.231 22.811 ( -0.903 -23.388 -10.994) 25.859 23.509 ( -2.805 17.577 6.413) 18.919 24.173 ( 6.694 -1.546 -3.611) 7.762 ======================= Grid point 72 (60/175) ======================= q-point: (-0.28 -0.06 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.972 ( -20.073 7.174 10.719) 23.860 6.412 ( -9.217 -5.748 -1.817) 11.013 6.614 ( -25.622 -32.269 -12.943) 43.189 6.950 ( -18.012 10.769 10.605) 23.513 7.386 ( -9.417 2.462 13.913) 16.980 8.069 ( 14.636 24.075 1.121) 28.197 8.559 ( -1.211 -7.561 16.342) 18.047 9.012 ( 10.497 -21.135 9.528) 25.449 9.197 ( -9.872 -2.071 -2.524) 10.398 9.933 ( 8.077 15.915 1.428) 17.905 10.546 ( -17.032 -32.035 -21.970) 42.414 11.059 ( 10.303 15.481 -16.692) 24.989 11.231 ( -6.656 24.461 21.582) 33.293 11.587 ( 4.160 -1.065 -5.950) 7.338 11.830 ( 11.198 -13.662 -9.069) 19.857 12.199 ( 14.623 -3.063 -9.226) 17.560 12.274 ( 11.006 3.471 -12.481) 16.999 12.436 ( 0.866 13.877 -2.273) 14.089 12.735 ( -18.115 -5.890 -2.456) 19.206 13.015 ( -4.056 -8.581 13.564) 16.555 13.056 ( 4.154 12.071 15.598) 20.156 13.825 ( 9.597 -11.806 7.265) 16.860 14.209 ( 6.855 12.112 0.849) 13.943 14.419 ( 7.603 -11.404 -2.821) 13.994 14.561 ( -21.498 4.152 -2.476) 22.035 14.961 ( -19.863 -8.588 2.838) 21.825 15.504 ( 7.776 3.767 -10.348) 13.481 15.669 ( -11.389 3.580 6.750) 13.714 16.408 ( 23.101 -0.801 4.187) 23.491 16.513 ( 9.195 5.927 -19.515) 22.372 17.407 ( 1.560 3.386 4.327) 5.711 17.646 ( 3.105 -5.478 11.573) 13.175 17.911 ( -9.689 8.089 3.768) 13.172 18.148 ( -5.159 -3.542 7.554) 9.809 18.504 ( -12.399 4.146 1.254) 13.133 19.401 ( 1.816 -0.445 -0.626) 1.972 19.865 ( -2.115 1.248 -1.150) 2.711 20.109 ( -5.165 -15.910 -3.902) 17.176 21.715 ( -2.867 10.164 -1.078) 10.616 22.544 ( 13.256 -10.365 -9.911) 19.529 23.465 ( -13.895 -0.098 5.513) 14.949 24.498 ( 18.174 4.481 -2.596) 18.897 ======================= Grid point 73 (61/175) ======================= q-point: ( 0.06 -0.06 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( -34.280 -42.993 0.000) 54.986 4.250 ( -44.997 -27.748 0.000) 52.865 6.431 ( -73.937 -41.494 -0.000) 84.785 7.011 ( -0.749 -0.441 -0.000) 0.870 7.197 ( -6.635 10.809 -0.000) 12.683 8.190 ( -9.128 -20.584 0.000) 22.517 8.451 ( 3.511 -3.754 0.000) 5.140 9.076 ( 7.133 0.553 0.000) 7.154 9.210 ( -1.020 8.811 -0.000) 8.870 9.667 ( 5.324 -16.250 0.000) 17.100 9.702 ( -3.869 -0.378 -0.000) 3.887 10.282 ( -22.579 7.051 -0.000) 23.654 10.370 ( -1.424 8.932 -0.000) 9.045 11.144 ( -4.719 -6.743 0.000) 8.231 11.304 ( -6.227 4.159 -0.000) 7.488 12.021 ( -10.035 -12.200 0.000) 15.797 12.057 ( 2.688 -14.845 0.000) 15.086 12.484 ( -20.461 -21.316 0.000) 29.547 13.156 ( -14.594 -30.011 0.000) 33.372 13.217 ( -16.125 -16.104 0.000) 22.789 13.906 ( 9.305 19.452 -0.000) 21.563 14.182 ( 4.926 13.473 -0.000) 14.346 14.244 ( 19.344 0.342 0.000) 19.347 14.417 ( 28.331 3.315 0.000) 28.524 14.899 ( 6.069 22.892 -0.000) 23.683 15.047 ( 3.996 3.546 -0.000) 5.342 15.629 ( 9.662 7.899 -0.000) 12.480 15.955 ( 0.510 19.933 -0.000) 19.939 16.580 ( 16.794 4.923 0.000) 17.501 16.760 ( 11.639 -0.873 0.000) 11.671 17.382 ( 0.034 -1.851 0.000) 1.852 17.389 ( -5.105 -6.701 0.000) 8.424 17.960 ( 8.433 -4.082 0.000) 9.369 18.448 ( 6.334 -10.540 0.000) 12.296 19.327 ( 7.267 4.950 -0.000) 8.793 19.511 ( -0.755 -2.622 0.000) 2.728 19.745 ( -21.025 18.559 -0.000) 28.045 20.252 ( -17.919 22.512 -0.000) 28.772 21.327 ( 1.863 -3.808 0.000) 4.239 22.768 ( -4.034 12.804 -0.000) 13.425 22.872 ( -13.907 -16.749 0.000) 21.770 24.482 ( 21.638 -10.293 0.000) 23.961 ======================= Grid point 75 (62/175) ======================= q-point: ( 0.39 -0.06 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( -31.940 32.243 21.356) 50.158 4.278 ( -32.791 32.456 36.449) 58.797 6.479 ( -37.443 42.195 47.170) 73.535 6.820 ( -7.523 -4.306 -5.870) 10.468 7.154 ( -3.276 3.155 -0.159) 4.551 7.597 ( -15.096 -11.455 0.234) 18.951 8.346 ( -0.138 -6.534 -1.606) 6.730 8.563 ( 12.717 6.411 -15.539) 21.078 9.226 ( -1.956 -0.410 -1.791) 2.684 9.406 ( -9.529 -6.928 9.018) 14.837 9.769 ( 3.413 14.432 -2.069) 14.974 10.938 ( -7.945 22.260 16.996) 29.112 11.028 ( 13.052 10.837 3.482) 17.318 11.511 ( -16.177 4.675 20.146) 26.257 11.672 ( 2.196 7.236 16.131) 17.816 11.812 ( -11.500 7.781 1.592) 13.976 11.994 ( -11.128 -0.016 9.507) 14.636 12.250 ( -10.704 9.035 9.123) 16.717 12.816 ( -14.567 16.610 9.383) 24.003 13.220 ( 5.047 15.337 -3.978) 16.628 13.750 ( 16.681 -7.984 -13.647) 22.983 14.148 ( 0.097 -1.101 -0.797) 1.362 14.200 ( 8.803 -17.674 -18.298) 26.919 14.263 ( 4.937 -11.158 -8.752) 15.016 14.546 ( -1.663 -9.339 -7.336) 11.991 15.326 ( -2.280 0.902 -2.964) 3.847 15.697 ( 12.577 -19.396 -13.186) 26.613 16.156 ( 12.017 -12.890 5.865) 18.573 16.689 ( 18.617 6.475 -9.311) 21.800 17.148 ( 14.036 -0.580 6.648) 15.542 17.303 ( -3.303 -0.001 -6.250) 7.069 17.575 ( 1.235 -5.073 -2.955) 6.000 17.671 ( 4.065 8.097 -11.162) 14.377 18.217 ( -2.615 -5.792 -3.298) 7.160 18.750 ( -16.372 -3.891 -13.742) 21.726 19.168 ( -12.962 3.707 -6.699) 15.054 20.022 ( -0.650 -16.569 14.583) 22.082 20.326 ( -9.805 -16.394 14.377) 23.908 21.295 ( 2.535 10.401 -2.825) 11.072 22.569 ( -6.776 18.278 1.159) 19.528 23.068 ( -5.420 -4.842 10.771) 12.993 25.036 ( 22.833 -0.607 -2.466) 22.974 ======================= Grid point 76 (63/175) ======================= q-point: (-0.28 -0.06 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.105 ( -22.273 -43.809 -1.961) 49.185 5.365 ( -37.037 -25.679 -23.741) 50.939 6.437 ( -7.865 18.754 11.127) 23.182 6.727 ( -26.287 14.632 13.492) 32.972 7.117 ( -18.144 1.806 20.166) 27.187 8.382 ( -5.639 -6.474 -1.836) 8.780 8.496 ( -4.483 -7.918 -7.944) 12.079 8.649 ( 3.713 -24.794 -2.696) 25.215 9.248 ( 11.594 0.986 -9.945) 15.307 9.614 ( 3.290 -26.924 -19.621) 33.477 10.377 ( 10.592 -0.552 5.921) 12.147 11.428 ( 1.770 2.902 -25.169) 25.398 11.499 ( 7.441 -7.562 0.024) 10.609 11.633 ( 7.985 -12.085 -8.877) 16.988 11.775 ( -0.378 11.643 4.696) 12.560 12.151 ( -7.421 -11.122 4.122) 13.992 12.360 ( -2.116 6.395 1.473) 6.895 12.500 ( -6.852 16.767 5.125) 18.824 12.606 ( -6.016 -20.187 3.889) 21.420 12.882 ( 3.697 12.295 5.799) 14.087 13.462 ( 3.559 14.152 9.070) 17.182 13.853 ( -13.872 -2.452 -12.900) 19.101 14.233 ( 0.391 1.375 6.395) 6.553 14.313 ( -0.802 -6.139 1.676) 6.414 14.382 ( 4.966 -7.268 0.425) 8.813 14.882 ( 12.221 17.498 2.939) 21.545 15.440 ( -8.163 -2.224 8.556) 12.033 15.729 ( 4.397 6.564 -6.234) 10.064 16.744 ( 7.769 7.357 -1.187) 10.765 16.899 ( 13.733 3.105 -6.346) 15.444 17.474 ( 0.505 0.492 -1.511) 1.668 17.571 ( 3.438 -8.841 7.536) 12.115 17.894 ( -4.777 8.265 2.514) 9.872 17.972 ( -1.114 -4.631 15.252) 15.978 18.427 ( -11.689 9.285 6.772) 16.392 19.377 ( -11.693 -0.338 -0.293) 11.701 19.742 ( 0.471 -7.277 -5.436) 9.096 19.853 ( -7.800 6.237 -8.330) 13.005 21.680 ( -1.579 -4.488 0.450) 4.779 22.813 ( 13.163 1.980 -10.197) 16.768 23.122 ( -10.944 -7.529 2.148) 13.456 24.938 ( 17.156 4.708 1.255) 17.835 ======================= Grid point 77 (64/175) ======================= q-point: ( 0.06 -0.06 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -37.750 -49.248 0.000) 62.052 2.739 ( -54.212 -26.147 -0.000) 60.188 4.147 ( -88.084 -28.323 -0.000) 92.525 6.952 ( -2.031 -1.761 0.000) 2.688 7.187 ( -12.289 6.556 -0.000) 13.928 7.665 ( -7.928 -12.722 0.000) 14.990 8.665 ( 10.472 9.769 -0.000) 14.321 9.142 ( 5.882 -5.438 0.000) 8.010 9.319 ( 3.803 3.073 -0.000) 4.889 9.594 ( 6.511 -7.258 0.000) 9.750 9.594 ( -8.646 3.551 -0.000) 9.347 9.894 ( -25.952 6.055 -0.000) 26.649 10.599 ( 2.176 10.168 -0.000) 10.399 10.799 ( -10.977 -11.369 0.000) 15.803 11.263 ( -7.272 5.105 -0.000) 8.885 11.428 ( -17.036 -25.934 0.000) 31.029 11.676 ( -9.005 -2.213 -0.000) 9.272 11.794 ( -13.845 -16.497 0.000) 21.537 12.157 ( -27.767 -19.120 0.000) 33.713 12.761 ( 7.336 -28.842 0.000) 29.760 14.041 ( -14.020 7.533 -0.000) 15.916 14.289 ( -6.691 3.902 -0.000) 7.746 14.604 ( 7.043 -4.509 0.000) 8.362 15.004 ( 7.374 2.129 0.000) 7.676 15.339 ( 27.180 7.313 0.000) 28.147 15.392 ( 37.873 3.366 0.000) 38.023 16.278 ( 14.041 24.406 -0.000) 28.157 16.579 ( 4.816 24.637 -0.000) 25.104 16.834 ( 11.733 -3.991 0.000) 12.393 17.168 ( 23.624 3.528 0.000) 23.886 17.249 ( 0.149 4.035 -0.000) 4.038 17.450 ( 3.879 -0.610 0.000) 3.927 17.990 ( 3.591 -5.048 0.000) 6.195 18.261 ( -1.440 -16.212 0.000) 16.276 19.335 ( -13.489 -0.286 -0.000) 13.492 19.482 ( 3.623 0.843 0.000) 3.720 19.683 ( -15.795 11.162 -0.000) 19.341 20.464 ( -23.074 44.385 -0.000) 50.024 21.285 ( 0.446 -3.527 0.000) 3.555 22.363 ( -9.204 -10.444 0.000) 13.921 22.773 ( -9.730 3.390 -0.000) 10.303 24.623 ( 24.141 -24.528 0.000) 34.415 ======================= Grid point 78 (65/175) ======================= q-point: ( 0.06 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -48.312 -0.000 -0.000) 48.312 1.242 ( -63.095 -0.000 -0.000) 63.095 1.976 ( -99.620 -0.000 -0.000) 99.620 6.893 ( -1.722 -0.000 -0.000) 1.722 6.970 ( -12.707 -0.000 -0.000) 12.707 7.469 ( -1.408 -0.000 -0.000) 1.408 9.077 ( 11.180 0.000 0.000) 11.180 9.130 ( 0.080 0.000 0.000) 0.080 9.491 ( -4.332 -0.000 -0.000) 4.332 9.538 ( 10.729 0.000 0.000) 10.729 9.543 ( -7.899 -0.000 -0.000) 7.899 9.603 ( -6.078 -0.000 -0.000) 6.078 10.423 ( -11.821 -0.000 -0.000) 11.821 10.707 ( -5.643 -0.000 -0.000) 5.643 10.900 ( 1.229 0.000 0.000) 1.229 11.184 ( -8.386 -0.000 -0.000) 8.386 11.293 ( -13.824 -0.000 -0.000) 13.824 11.470 ( -17.055 -0.000 -0.000) 17.055 11.563 ( -3.279 -0.000 -0.000) 3.279 12.404 ( -0.451 -0.000 -0.000) 0.451 13.849 ( -10.105 -0.000 -0.000) 10.105 14.186 ( -5.355 -0.000 -0.000) 5.355 14.579 ( -0.615 -0.000 -0.000) 0.615 15.099 ( 2.814 0.000 0.000) 2.814 16.077 ( 33.081 0.000 0.000) 33.081 16.221 ( 34.106 0.000 0.000) 34.106 16.763 ( 1.943 0.000 0.000) 1.943 16.849 ( -0.704 -0.000 -0.000) 0.704 16.881 ( 10.970 0.000 0.000) 10.970 17.434 ( -1.204 -0.000 -0.000) 1.204 17.629 ( 12.294 0.000 0.000) 12.294 17.656 ( 9.380 0.000 0.000) 9.380 17.744 ( -19.134 -0.000 -0.000) 19.134 18.037 ( 13.316 0.000 0.000) 13.316 18.979 ( -23.164 -0.000 -0.000) 23.164 19.541 ( 1.861 0.000 0.000) 1.861 19.548 ( -7.837 -0.000 -0.000) 7.837 21.061 ( 0.502 0.000 0.000) 0.502 21.235 ( -0.447 -0.000 -0.000) 0.447 22.138 ( -3.977 -0.000 -0.000) 3.977 22.614 ( -7.140 -0.000 -0.000) 7.140 24.411 ( 4.864 0.000 0.000) 4.864 ======================= Grid point 79 (66/175) ======================= q-point: ( 0.39 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( -17.105 41.959 20.660) 49.799 4.156 ( -28.600 32.167 29.994) 52.462 6.477 ( -12.658 -7.617 -6.147) 16.001 6.743 ( -9.803 -18.067 -9.246) 22.539 6.980 ( -8.317 -17.096 -16.831) 25.391 7.256 ( -10.998 67.417 45.851) 82.270 8.278 ( -1.804 -4.415 0.944) 4.861 8.644 ( -3.691 -5.226 -5.717) 8.580 9.429 ( 9.988 8.459 -2.823) 13.390 9.591 ( 18.654 11.912 20.451) 30.135 10.212 ( 0.603 21.489 -0.836) 21.514 11.147 ( -11.057 14.013 27.192) 32.527 11.441 ( 0.016 16.876 3.367) 17.208 11.509 ( -16.650 5.247 -4.210) 17.958 11.649 ( 11.757 11.472 4.102) 16.932 11.936 ( -0.756 12.240 3.049) 12.637 12.135 ( 4.685 16.699 14.191) 22.410 12.286 ( -3.371 8.548 9.408) 13.151 12.800 ( -9.104 7.155 11.220) 16.124 13.193 ( 3.394 -32.003 -24.077) 40.192 13.462 ( -9.316 -16.297 -2.278) 18.910 13.788 ( -4.281 -10.190 -4.590) 11.968 14.240 ( -5.126 -0.732 -4.058) 6.578 14.376 ( 3.816 -2.228 -0.146) 4.421 14.606 ( 23.279 -2.488 -16.102) 28.414 15.224 ( -8.550 2.699 -6.564) 11.112 15.448 ( 2.929 -17.924 -7.907) 19.808 16.089 ( 9.539 -16.208 0.908) 18.828 17.023 ( 3.525 -9.264 0.780) 9.943 17.153 ( 7.984 -3.974 -8.924) 12.617 17.486 ( 2.650 2.667 -1.857) 4.194 17.553 ( 6.891 1.891 3.011) 7.754 17.874 ( -1.179 3.947 -18.623) 19.073 18.030 ( 2.985 -4.173 1.018) 5.230 18.377 ( -6.828 -5.848 -4.833) 10.206 18.935 ( -20.791 5.876 -4.634) 22.097 19.746 ( -7.644 -8.913 11.588) 16.497 19.923 ( 1.176 -9.079 14.236) 16.925 21.537 ( 0.589 9.538 -2.667) 9.921 22.748 ( -4.426 11.394 2.300) 12.438 23.011 ( 2.908 1.775 10.966) 11.483 25.346 ( 13.121 -5.907 -6.407) 15.752 ======================= Grid point 81 (67/175) ======================= q-point: (-0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.389 ( -0.000 -23.716 -37.882) 44.694 4.537 ( -0.000 -24.341 -41.703) 48.287 6.137 ( 0.000 21.616 10.765) 24.148 6.543 ( -0.000 15.411 -1.079) 15.449 6.655 ( -0.000 32.089 4.239) 32.367 8.198 ( -0.000 -56.429 -47.262) 73.607 8.301 ( -0.000 9.961 -1.039) 10.015 8.562 ( -0.000 1.821 -4.688) 5.029 9.496 ( 0.000 -18.972 -0.933) 18.995 10.077 ( 0.000 -21.739 10.509) 24.146 10.347 ( -0.000 -14.418 -18.301) 23.298 11.285 ( -0.000 -1.344 -0.380) 1.397 11.428 ( 0.000 -28.031 2.229) 28.119 11.435 ( -0.000 -4.212 -12.177) 12.885 11.590 ( 0.000 -23.993 12.395) 27.005 12.015 ( -0.000 5.580 -0.763) 5.632 12.317 ( -0.000 29.530 1.392) 29.563 12.577 ( -0.000 -11.492 -13.181) 17.487 12.700 ( 0.000 13.099 5.564) 14.231 13.196 ( -0.000 -12.029 -15.519) 19.635 13.314 ( -0.000 19.913 -1.286) 19.955 13.664 ( 0.000 7.965 6.741) 10.434 14.152 ( -0.000 10.779 -0.497) 10.790 14.372 ( 0.000 5.281 3.017) 6.082 14.764 ( 0.000 -3.607 0.176) 3.612 14.957 ( 0.000 -2.289 3.475) 4.162 15.205 ( 0.000 1.969 12.034) 12.194 16.111 ( 0.000 14.516 5.051) 15.369 16.677 ( 0.000 -3.803 34.187) 34.398 17.196 ( -0.000 7.950 -10.685) 13.318 17.559 ( 0.000 -5.231 0.447) 5.250 17.585 ( 0.000 -2.625 6.532) 7.040 17.683 ( -0.000 8.509 -3.690) 9.275 18.107 ( -0.000 -1.202 -0.671) 1.377 18.434 ( 0.000 -13.860 6.666) 15.380 18.513 ( -0.000 9.361 -3.494) 9.992 19.835 ( -0.000 10.280 -5.415) 11.619 20.192 ( -0.000 15.260 -10.061) 18.278 21.481 ( 0.000 -10.154 2.383) 10.430 22.791 ( -0.000 -8.821 -4.555) 9.928 23.229 ( -0.000 -2.197 -6.774) 7.121 25.282 ( 0.000 2.375 11.054) 11.307 ======================= Grid point 82 (68/175) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -0.000 0.000 -60.248) 60.248 1.337 ( -0.000 0.000 -64.115) 64.115 1.959 ( -0.000 0.000 -94.431) 94.431 6.770 ( 0.000 -0.000 3.916) 3.916 6.976 ( -0.000 0.000 -9.591) 9.591 7.492 ( -0.000 0.000 -3.320) 3.320 9.047 ( 0.000 -0.000 2.600) 2.600 9.173 ( 0.000 -0.000 29.024) 29.024 9.221 ( -0.000 0.000 -5.958) 5.958 9.257 ( -0.000 0.000 -4.967) 4.967 9.617 ( 0.000 -0.000 4.103) 4.103 9.739 ( -0.000 0.000 -8.360) 8.360 10.277 ( 0.000 -0.000 0.506) 0.506 10.632 ( 0.000 -0.000 2.048) 2.048 11.171 ( -0.000 0.000 -15.153) 15.153 11.290 ( 0.000 -0.000 0.141) 0.141 11.304 ( -0.000 0.000 -19.768) 19.768 11.508 ( -0.000 0.000 -24.601) 24.601 11.818 ( -0.000 0.000 -30.137) 30.137 12.408 ( -0.000 0.000 -0.412) 0.412 13.734 ( -0.000 0.000 -0.513) 0.513 13.808 ( -0.000 0.000 -5.776) 5.776 14.519 ( -0.000 0.000 -0.905) 0.905 15.135 ( -0.000 0.000 -0.771) 0.771 15.989 ( 0.000 -0.000 33.203) 33.203 16.301 ( 0.000 -0.000 5.151) 5.151 16.892 ( 0.000 -0.000 33.997) 33.997 16.961 ( 0.000 -0.000 3.698) 3.698 17.061 ( 0.000 -0.000 24.949) 24.949 17.083 ( -0.000 0.000 -15.260) 15.260 17.409 ( 0.000 -0.000 9.154) 9.154 17.752 ( 0.000 -0.000 0.750) 0.750 18.043 ( -0.000 0.000 -0.503) 0.503 18.103 ( -0.000 0.000 -17.883) 17.883 18.394 ( 0.000 -0.000 10.142) 10.142 18.561 ( -0.000 0.000 -5.767) 5.767 19.698 ( -0.000 0.000 -10.964) 10.964 21.079 ( -0.000 0.000 -1.082) 1.082 21.229 ( 0.000 -0.000 0.026) 0.026 21.624 ( -0.000 0.000 -3.842) 3.842 22.644 ( -0.000 0.000 -8.835) 8.835 25.956 ( 0.000 -0.000 7.318) 7.318 ======================= Grid point 83 (69/175) ======================= q-point: ( 0.25 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 0.000 44.145 21.889) 49.274 3.677 ( -0.000 58.889 -1.204) 58.901 6.183 ( 0.000 82.353 38.828) 91.048 6.486 ( -0.000 -6.706 -7.263) 9.885 6.892 ( -0.000 -5.964 -9.925) 11.579 7.390 ( -0.000 -8.336 -26.086) 27.385 8.172 ( 0.000 -10.032 4.221) 10.883 8.800 ( -0.000 -2.821 -6.854) 7.412 9.369 ( 0.000 7.188 18.593) 19.934 9.627 ( 0.000 5.697 2.409) 6.186 9.798 ( 0.000 2.023 15.303) 15.436 10.918 ( -0.000 38.159 -2.478) 38.239 11.294 ( -0.000 6.652 0.335) 6.660 11.509 ( -0.000 23.915 -5.455) 24.529 11.561 ( 0.000 4.439 13.102) 13.834 11.909 ( 0.000 24.401 10.523) 26.573 11.910 ( 0.000 11.320 12.904) 17.165 12.098 ( -0.000 21.667 -1.397) 21.712 12.226 ( 0.000 18.828 18.940) 26.706 13.347 ( 0.000 -11.737 -2.012) 11.909 13.717 ( 0.000 -6.128 1.316) 6.267 13.967 ( -0.000 -48.785 -31.054) 57.830 14.394 ( -0.000 -11.650 -11.034) 16.046 14.402 ( 0.000 -1.708 1.047) 2.003 15.140 ( 0.000 0.352 0.483) 0.597 15.396 ( -0.000 -16.647 -23.207) 28.560 15.515 ( 0.000 -9.273 -1.551) 9.401 16.177 ( 0.000 -17.214 5.571) 18.093 17.011 ( 0.000 -20.073 -0.918) 20.094 17.401 ( 0.000 5.859 5.672) 8.155 17.574 ( -0.000 -7.820 -10.931) 13.440 17.618 ( -0.000 -1.277 -3.261) 3.502 18.044 ( 0.000 0.249 1.409) 1.430 18.191 ( -0.000 3.476 -7.884) 8.617 18.419 ( 0.000 -2.958 0.699) 3.039 18.614 ( 0.000 -0.676 -0.041) 0.677 19.407 ( 0.000 -1.310 9.486) 9.576 19.702 ( 0.000 0.574 9.642) 9.659 21.611 ( -0.000 8.694 -3.082) 9.224 22.675 ( -0.000 13.477 0.157) 13.478 22.806 ( 0.000 4.701 10.376) 11.391 25.594 ( -0.000 -11.171 -3.185) 11.616 ======================= Grid point 84 (70/175) ======================= q-point: ( 0.25 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.227 ( 31.036 41.506 14.157) 53.725 4.899 ( 9.446 54.619 -7.884) 55.988 6.503 ( 14.906 -6.845 -8.334) 18.398 6.758 ( 0.608 -10.289 -19.765) 22.291 7.250 ( 12.083 0.545 -18.570) 22.162 7.890 ( 9.004 64.842 19.023) 68.172 8.127 ( 4.062 -1.590 4.239) 6.082 8.767 ( -1.113 2.329 -0.945) 2.749 9.281 ( -10.081 -1.483 9.635) 14.024 9.687 ( -8.803 6.351 -5.913) 12.361 9.966 ( 15.834 -2.701 33.266) 36.941 11.285 ( -10.297 14.573 -1.260) 17.888 11.483 ( -5.574 0.478 12.879) 14.042 11.693 ( -5.493 11.223 -0.333) 12.499 11.859 ( -5.737 27.851 -2.083) 28.512 12.118 ( -6.752 18.774 5.994) 20.833 12.300 ( 1.643 1.541 3.632) 4.274 12.468 ( 12.552 17.561 -2.416) 21.720 12.812 ( 10.098 -10.780 -12.067) 19.073 13.001 ( 2.275 -16.106 -10.321) 19.264 13.277 ( 7.021 -3.915 0.029) 8.039 13.588 ( 3.562 -17.583 -1.075) 17.972 14.006 ( 7.356 -26.186 5.622) 27.775 14.401 ( 1.463 1.850 -1.380) 2.732 14.862 ( -16.771 -1.141 -7.449) 18.386 15.083 ( -6.695 -14.227 2.503) 15.922 15.591 ( 1.641 4.850 -12.620) 13.619 15.751 ( -10.442 -8.191 3.815) 13.809 16.626 ( 4.378 -21.532 3.478) 22.246 17.284 ( -14.516 1.278 -4.820) 15.349 17.442 ( -1.165 -2.974 0.903) 3.320 17.659 ( 0.686 5.016 -2.294) 5.558 17.963 ( -4.849 -3.248 -1.396) 6.001 18.210 ( 2.052 -2.793 -2.477) 4.260 18.394 ( 7.157 -3.930 -10.819) 13.554 18.915 ( 23.885 -6.620 5.117) 25.308 19.503 ( 5.785 5.679 5.840) 9.992 19.755 ( -4.056 9.504 4.337) 11.207 21.723 ( -0.632 3.948 -3.942) 5.614 22.753 ( -6.561 -1.063 12.223) 13.914 23.043 ( 4.310 15.078 -3.253) 16.016 25.239 ( -11.132 -11.673 -0.244) 16.132 ======================= Grid point 85 (71/175) ======================= q-point: (-0.42 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 4.083 -18.254 -47.876) 51.400 4.514 ( 27.963 -18.848 -46.070) 57.093 6.554 ( 11.353 6.784 1.222) 13.281 7.034 ( 4.445 20.247 -3.499) 21.023 7.095 ( 7.614 -24.104 -36.393) 44.310 7.412 ( 13.054 3.221 -23.220) 26.832 8.384 ( -5.173 4.914 -1.472) 7.285 8.577 ( -5.388 -9.573 4.484) 11.865 9.281 ( 6.231 4.810 -3.136) 8.473 9.644 ( -11.687 -15.984 -5.228) 20.479 9.827 ( -10.170 -13.166 -8.156) 18.528 10.921 ( 7.340 -26.562 -0.867) 27.571 11.059 ( -2.899 -19.885 14.357) 24.697 11.407 ( 14.826 -5.325 -1.338) 15.810 11.539 ( 23.435 -15.067 -14.154) 31.250 12.042 ( -4.786 3.717 -12.452) 13.849 12.343 ( -2.530 -7.904 -13.439) 15.795 12.511 ( -1.199 1.637 -27.370) 27.445 12.939 ( -2.706 -5.361 -9.512) 11.249 13.178 ( -3.318 11.199 10.795) 15.905 13.686 ( 3.975 14.348 17.161) 22.719 13.777 ( -9.213 10.410 9.242) 16.693 14.202 ( -1.881 -1.195 -0.883) 2.397 14.398 ( -5.658 1.700 -2.380) 6.369 14.581 ( -5.182 8.404 -5.303) 11.207 15.183 ( 6.285 4.560 0.322) 7.772 15.357 ( 3.113 10.213 27.248) 29.265 16.325 ( -5.624 12.569 5.626) 14.875 16.504 ( -3.642 -12.407 34.049) 36.421 17.177 ( -9.672 -7.558 1.470) 12.362 17.408 ( -1.041 1.313 -3.269) 3.674 17.596 ( 2.021 3.919 2.106) 4.887 17.778 ( -10.363 5.044 -6.355) 13.162 18.134 ( 3.115 3.787 0.420) 4.922 18.295 ( 6.517 -1.126 7.743) 10.183 18.775 ( 9.512 1.121 2.372) 9.867 20.138 ( 10.401 9.056 -7.593) 15.744 20.553 ( -0.987 21.977 -12.420) 25.263 21.265 ( -0.275 -11.148 2.426) 11.412 22.551 ( 1.284 -16.191 -2.876) 16.494 23.202 ( 1.671 -1.190 -9.567) 9.784 25.216 ( -11.716 2.639 13.265) 17.894 ======================= Grid point 87 (72/175) ======================= q-point: (-0.08 -0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 40.239 41.341 1.593) 57.713 3.648 ( 37.763 38.046 -22.797) 58.252 5.528 ( 53.754 55.742 -40.023) 87.170 6.948 ( 10.096 -5.059 4.730) 12.243 7.099 ( 0.724 2.781 -3.848) 4.803 7.737 ( 13.382 0.275 11.093) 17.385 8.438 ( -1.871 -6.639 5.440) 8.784 8.967 ( -6.151 -0.353 21.272) 22.146 9.206 ( 4.068 -8.026 -8.497) 12.375 9.364 ( 8.934 -0.792 10.585) 13.874 9.776 ( -4.003 14.454 -1.368) 15.060 10.373 ( 8.180 14.621 -30.133) 34.478 10.846 ( -14.009 5.136 -16.630) 22.343 11.167 ( 4.519 12.757 -11.650) 17.857 11.342 ( 0.432 1.593 -10.953) 11.077 11.811 ( 10.560 10.713 -2.611) 15.268 11.926 ( 21.156 17.212 1.678) 27.325 12.108 ( 11.937 11.799 -2.513) 16.971 12.606 ( 28.161 19.764 -9.943) 35.813 13.309 ( -10.128 23.867 4.741) 26.357 13.862 ( 5.477 -11.208 -0.626) 12.490 14.176 ( -0.416 -3.687 2.319) 4.375 14.484 ( -19.994 -0.625 15.620) 25.379 14.668 ( -9.361 -14.795 17.783) 24.955 14.823 ( -6.154 -21.171 15.483) 26.941 15.370 ( -8.804 -3.364 -0.051) 9.425 15.879 ( -10.882 -24.455 5.081) 27.245 15.987 ( -13.479 -15.751 -8.256) 22.315 16.833 ( -16.596 3.678 5.274) 17.798 17.061 ( -16.931 -3.853 -1.325) 17.415 17.343 ( 3.369 2.628 -1.556) 4.547 17.501 ( -2.744 -5.022 -5.374) 7.850 17.981 ( -4.554 6.594 10.458) 13.176 18.364 ( 3.375 1.257 10.158) 10.777 19.050 ( 18.445 -6.745 14.607) 24.476 19.314 ( 9.347 1.935 7.547) 12.168 19.714 ( 1.473 -13.331 -14.551) 19.790 19.991 ( 20.186 -20.063 -16.695) 32.996 21.353 ( -3.015 8.148 2.463) 9.030 22.574 ( 8.324 15.600 1.658) 17.760 22.835 ( 5.863 -4.247 -10.709) 12.926 25.019 ( -26.606 5.374 -3.202) 27.331 ======================= Grid point 88 (73/175) ======================= q-point: ( 0.25 -0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.614 ( 31.219 32.444 7.386) 45.627 6.083 ( 12.272 42.552 -10.283) 45.464 6.540 ( -2.675 -4.053 -18.777) 19.395 6.778 ( 22.706 -8.442 -13.218) 27.596 7.529 ( 12.245 0.233 -12.913) 17.798 8.077 ( 2.640 -9.779 7.639) 12.687 8.682 ( -6.289 -10.203 -0.175) 11.987 9.034 ( 7.492 21.263 3.897) 22.879 9.301 ( 4.461 12.391 -10.789) 17.025 9.863 ( 2.393 28.848 17.376) 33.762 10.005 ( 1.156 -7.922 13.851) 15.998 11.043 ( -18.579 -1.394 8.147) 20.335 11.535 ( -6.543 6.171 0.730) 9.023 11.669 ( -0.064 -11.907 -10.395) 15.806 11.995 ( -14.439 20.208 -2.091) 24.925 12.146 ( 5.403 -16.235 -0.820) 17.130 12.253 ( -2.429 -8.646 -5.183) 10.369 12.348 ( 1.167 -4.925 7.127) 8.741 12.756 ( -20.984 -11.267 -0.758) 23.829 13.080 ( 7.098 -0.654 -4.627) 8.498 13.228 ( 5.608 -4.566 -1.764) 7.444 13.762 ( 16.157 13.852 9.766) 23.416 13.907 ( 16.068 -12.983 8.972) 22.522 14.496 ( -2.649 -1.219 -5.759) 6.456 14.658 ( -10.643 7.471 -0.515) 13.014 14.787 ( 1.718 7.592 -3.939) 8.724 15.396 ( -5.571 -6.166 7.490) 11.188 15.798 ( 3.588 2.405 -14.770) 15.388 16.315 ( -0.936 -14.738 9.183) 17.390 16.947 ( -22.562 1.354 -3.218) 22.830 17.432 ( 3.808 -2.196 -0.242) 4.403 17.749 ( -1.505 3.047 4.331) 5.505 17.871 ( 5.878 -5.060 -9.067) 11.932 18.204 ( 4.329 -3.617 -2.729) 6.266 18.445 ( 6.295 -4.542 -10.031) 12.684 19.134 ( 17.745 -12.149 5.779) 22.268 19.845 ( 6.089 13.954 3.015) 15.520 19.939 ( -3.155 18.263 2.016) 18.643 21.751 ( 0.648 -2.056 -7.387) 7.695 22.491 ( -11.664 -3.164 17.015) 20.871 23.421 ( 6.039 11.764 -7.435) 15.170 24.757 ( -14.646 -11.413 3.299) 18.858 ======================= Grid point 89 (74/175) ======================= q-point: (-0.42 -0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.949 ( 18.137 -3.238 -48.302) 51.697 4.536 ( 18.820 -27.817 -45.452) 56.514 6.667 ( 6.034 -5.640 -8.592) 11.918 7.140 ( 10.657 2.844 -25.055) 27.375 7.202 ( -7.258 1.044 -10.288) 12.634 7.673 ( 12.645 -19.950 -21.841) 32.170 8.226 ( 2.843 2.548 3.355) 5.083 8.744 ( 4.617 21.628 0.529) 22.122 9.224 ( 0.506 0.920 -2.331) 2.556 9.404 ( 1.392 -11.350 0.853) 11.467 9.702 ( 4.638 -3.025 -2.197) 5.958 10.688 ( 3.123 -12.817 2.817) 13.490 10.951 ( 19.129 4.150 -6.872) 20.746 11.643 ( 23.397 -16.067 -10.208) 30.162 11.702 ( 9.641 1.708 -1.043) 9.847 11.975 ( 6.473 -11.425 -15.257) 20.129 12.261 ( -3.094 4.822 -8.919) 10.601 12.521 ( -3.655 2.948 -20.765) 21.289 12.762 ( -3.363 -8.384 -2.548) 9.385 12.989 ( -10.596 -3.303 1.662) 11.223 13.374 ( -19.011 -8.868 9.357) 22.970 14.071 ( 1.680 5.231 3.853) 6.710 14.318 ( -4.902 16.205 14.307) 22.166 14.419 ( 0.651 5.350 -10.283) 11.610 14.719 ( -0.315 6.218 -5.158) 8.085 15.231 ( -8.498 0.551 10.938) 13.862 15.550 ( -1.456 8.974 19.860) 21.842 16.128 ( -3.500 -15.912 22.423) 27.717 16.374 ( -7.576 6.302 3.336) 10.404 16.871 ( -4.159 -4.661 13.317) 14.709 17.405 ( -3.503 -2.003 -5.035) 6.453 17.499 ( -20.641 3.102 -11.179) 23.678 17.809 ( 4.325 9.568 0.784) 10.529 18.255 ( -2.309 1.345 3.172) 4.147 18.489 ( 15.441 -1.509 11.095) 19.073 18.988 ( 12.350 -0.691 7.322) 14.374 20.500 ( 11.234 3.639 -9.355) 15.066 20.955 ( -3.466 23.650 -8.000) 25.206 21.093 ( -0.706 -3.683 1.999) 4.249 22.237 ( 2.196 -20.953 -6.223) 21.968 23.280 ( 8.863 -0.087 -4.599) 9.985 24.963 ( -17.912 2.684 8.554) 20.030 ======================= Grid point 90 (75/175) ======================= q-point: (-0.42 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.456 ( 17.118 0.000 -36.233) 40.073 4.459 ( 24.659 0.000 -40.831) 47.699 6.462 ( -20.314 -0.000 6.467) 21.318 6.839 ( -26.444 -0.000 11.029) 28.652 7.014 ( -7.279 0.000 -7.275) 10.291 8.239 ( 41.476 0.000 -38.215) 56.397 8.453 ( 21.856 0.000 -18.413) 28.578 8.916 ( -1.845 -0.000 0.883) 2.045 9.531 ( 9.735 -0.000 7.581) 12.339 9.579 ( 22.292 -0.000 7.171) 23.417 9.650 ( 4.551 0.000 -7.505) 8.777 10.632 ( 3.493 -0.000 3.148) 4.702 11.469 ( 7.740 0.000 -7.639) 10.874 11.817 ( 0.177 0.000 -13.699) 13.700 11.842 ( 12.413 0.000 -5.449) 13.557 11.962 ( 6.648 0.000 -5.588) 8.684 12.172 ( -29.785 -0.000 15.921) 33.773 12.381 ( 11.720 0.000 -15.120) 19.130 12.396 ( -22.059 -0.000 11.872) 25.051 12.962 ( 15.992 -0.000 5.249) 16.832 13.200 ( 6.852 0.000 -18.170) 19.419 14.080 ( -6.921 -0.000 3.836) 7.913 14.390 ( -0.501 0.000 -1.294) 1.388 14.503 ( -6.097 -0.000 -0.830) 6.153 14.626 ( -3.694 0.000 -1.795) 4.107 15.103 ( -4.605 -0.000 6.930) 8.321 15.553 ( -12.618 -0.000 14.501) 19.222 15.915 ( 0.438 -0.000 15.970) 15.976 16.325 ( -1.808 -0.000 -0.323) 1.837 16.779 ( -5.156 -0.000 20.358) 21.001 17.027 ( -17.463 0.000 -14.606) 22.766 17.387 ( -2.568 0.000 -6.350) 6.849 18.030 ( 4.212 0.000 0.551) 4.248 18.116 ( -6.477 -0.000 3.562) 7.391 18.781 ( 13.976 -0.000 10.996) 17.784 19.197 ( 8.677 -0.000 4.591) 9.817 20.687 ( 5.664 0.000 -6.198) 8.396 21.076 ( 0.371 -0.000 1.767) 1.806 21.252 ( -1.377 0.000 -2.672) 3.007 21.916 ( -1.280 0.000 -9.352) 9.439 23.538 ( 15.190 0.000 -0.870) 15.215 24.636 ( -18.263 -0.000 3.775) 18.649 ======================= Grid point 91 (76/175) ======================= q-point: (-0.08 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.839 ( 34.241 36.954 1.748) 50.410 5.048 ( 32.101 34.052 -16.796) 49.721 6.960 ( 7.064 -10.542 1.997) 12.846 7.028 ( -2.896 4.832 -3.453) 6.607 7.686 ( 44.916 46.727 -20.424) 67.955 8.078 ( 20.478 -1.314 24.745) 32.146 8.498 ( 5.370 7.229 10.454) 13.798 8.804 ( -8.884 1.633 16.845) 19.114 9.096 ( 4.753 -7.448 -10.266) 13.545 9.550 ( 16.527 -9.472 9.705) 21.379 10.068 ( -4.659 21.572 0.321) 22.071 10.418 ( -22.376 7.114 -21.038) 31.526 10.877 ( 6.344 5.094 -32.164) 33.177 11.364 ( -2.918 5.207 -10.209) 11.826 11.368 ( 3.407 -0.535 -9.466) 10.075 12.227 ( -4.025 9.765 0.754) 10.589 12.347 ( 3.002 6.360 -4.736) 8.479 12.709 ( 17.384 15.614 15.425) 27.999 13.215 ( -9.222 -11.271 15.857) 21.530 13.422 ( 6.388 -8.034 6.651) 12.230 13.741 ( 12.696 2.681 -7.778) 15.129 13.905 ( -12.210 2.608 10.508) 16.319 14.025 ( -8.703 -17.383 3.752) 19.799 14.253 ( -2.507 1.977 6.203) 6.977 14.537 ( -6.251 -6.009 -0.992) 8.727 14.919 ( -4.870 -16.161 -9.220) 19.233 15.591 ( -6.433 -6.162 -4.714) 10.078 15.701 ( 5.621 3.140 6.672) 9.272 16.446 ( -22.923 -3.313 0.911) 23.179 16.730 ( -9.774 -5.852 -0.762) 11.418 17.492 ( 7.356 1.282 -1.942) 7.715 17.523 ( 3.714 6.382 -0.491) 7.400 17.959 ( -6.400 5.160 7.169) 10.907 18.418 ( 2.258 -0.535 12.649) 12.861 19.134 ( 4.885 -7.087 10.130) 13.293 19.418 ( -1.379 -13.802 -5.008) 14.747 19.556 ( 8.201 5.040 0.659) 9.649 20.060 ( 13.976 -12.006 -10.644) 21.279 21.461 ( -3.698 11.058 -0.750) 11.684 22.603 ( -2.285 -15.385 -9.569) 18.262 23.181 ( 14.122 14.957 0.614) 20.580 24.611 ( -21.316 1.138 -0.324) 21.349 ======================= Grid point 92 (77/175) ======================= q-point: ( 0.25 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.186 ( -5.219 -9.743 -24.054) 26.472 6.559 ( 6.602 12.338 -4.930) 14.836 6.844 ( -13.936 -4.226 10.758) 18.105 7.057 ( 10.818 12.420 -3.429) 16.824 7.612 ( 4.360 11.101 -7.354) 14.012 7.984 ( 10.518 -17.845 -28.197) 34.988 8.489 ( 19.165 -7.932 19.545) 28.500 9.265 ( 8.024 -15.401 16.146) 23.712 9.457 ( -11.945 -2.826 -12.852) 17.772 9.753 ( 2.667 11.666 -13.422) 17.982 10.567 ( -13.496 1.882 -1.294) 13.688 10.917 ( 9.501 27.932 11.241) 31.572 11.226 ( -15.105 -19.797 -9.422) 26.624 11.507 ( -6.324 -4.705 -0.199) 7.884 11.691 ( -19.961 -7.788 4.675) 21.931 11.958 ( 11.304 -15.524 -3.729) 19.562 12.020 ( -25.309 8.956 13.436) 30.021 12.217 ( -1.236 3.280 7.917) 8.658 12.712 ( 24.535 10.876 6.344) 27.577 12.930 ( 8.063 -9.131 4.431) 12.962 13.560 ( 5.478 -2.459 -11.254) 12.756 13.997 ( 11.846 -3.163 7.633) 14.443 14.097 ( -6.524 -2.667 -2.522) 7.486 14.398 ( -1.646 14.019 -0.767) 14.137 14.694 ( 1.753 2.596 -7.442) 8.074 15.069 ( 2.660 -1.853 6.362) 7.141 15.379 ( 0.800 8.181 -2.254) 8.523 15.679 ( -4.035 -8.282 -0.879) 9.255 16.186 ( -0.568 2.611 0.475) 2.714 16.521 ( -19.845 2.585 -1.562) 20.073 17.424 ( 3.535 -4.997 -4.340) 7.504 17.733 ( 2.296 -6.128 4.339) 7.852 17.932 ( 5.821 -3.671 -7.899) 10.476 18.170 ( 1.649 -8.980 0.399) 9.139 18.565 ( 9.039 4.196 -4.619) 10.984 19.216 ( 13.526 -9.648 4.488) 17.210 20.146 ( -6.886 20.509 -4.244) 22.046 20.335 ( 2.206 17.731 4.646) 18.462 21.563 ( -6.442 -10.262 -8.831) 14.993 22.441 ( 4.181 8.367 18.565) 20.788 23.657 ( 2.341 0.154 -12.334) 12.555 24.259 ( -13.768 -7.997 8.629) 18.110 ======================= Grid point 93 (78/175) ======================= q-point: ( 0.25 -0.08 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.527 ( -28.429 -24.341 0.511) 37.429 5.957 ( -41.345 -15.269 0.087) 44.074 6.769 ( 5.824 0.111 -20.810) 21.610 7.160 ( 4.414 -9.829 -19.551) 22.323 7.736 ( 3.361 -9.781 -21.724) 24.061 8.298 ( 5.153 18.236 8.802) 20.894 8.767 ( 17.651 -11.632 20.664) 29.561 8.914 ( -4.800 -9.024 15.871) 18.877 9.451 ( -17.480 -1.148 -15.421) 23.338 9.662 ( -2.497 4.469 -2.508) 5.701 9.883 ( -32.813 -20.289 10.165) 39.896 10.869 ( 1.068 17.647 -4.623) 18.274 11.117 ( -14.368 -4.136 12.949) 19.779 11.459 ( 11.468 -7.175 6.971) 15.218 11.690 ( 1.662 6.659 7.445) 10.126 11.829 ( -14.482 9.537 5.687) 18.249 12.145 ( 20.822 0.789 -20.592) 29.295 12.270 ( 0.995 2.900 3.601) 4.730 12.884 ( 4.227 -7.916 -10.447) 13.772 13.206 ( -0.803 -26.397 0.376) 26.412 13.615 ( 19.469 17.691 2.292) 26.406 13.875 ( -1.024 -2.727 15.773) 16.040 14.133 ( 3.492 0.917 1.853) 4.058 14.614 ( -13.406 -4.162 -5.762) 15.174 14.740 ( -3.789 15.750 -6.224) 17.354 15.043 ( -7.936 -2.192 -1.137) 8.312 15.176 ( 14.068 -0.845 11.517) 18.201 15.802 ( 0.293 2.118 -21.195) 21.302 16.217 ( -4.692 12.319 0.676) 13.199 16.451 ( 3.612 1.289 -0.428) 3.859 17.452 ( 8.703 -4.811 -4.749) 11.020 17.554 ( -1.813 -11.634 1.396) 11.857 17.822 ( -9.464 -8.161 7.883) 14.775 18.045 ( 9.141 -6.539 -1.093) 11.292 18.903 ( 11.392 6.419 -3.992) 13.672 19.308 ( 11.104 -6.077 3.462) 13.123 20.387 ( -12.652 23.550 -4.311) 27.078 20.634 ( -2.504 14.032 2.224) 14.427 21.298 ( -3.512 -4.429 -7.715) 9.564 22.811 ( 10.999 6.134 12.833) 17.980 23.373 ( -10.810 -12.526 -5.937) 17.578 24.078 ( -1.203 0.499 6.222) 6.357 ======================= Grid point 95 (79/175) ======================= q-point: (-0.08 -0.08 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.042 ( 21.959 28.260 -2.597) 35.883 6.165 ( 22.273 24.412 -12.887) 35.470 6.740 ( -2.963 -18.199 -3.027) 18.685 6.827 ( -12.736 -8.091 -8.144) 17.146 8.287 ( 11.630 -8.749 24.734) 28.698 8.413 ( -15.486 3.565 23.352) 28.246 8.893 ( 11.695 18.587 20.028) 29.722 9.135 ( 20.325 0.988 15.599) 25.640 9.477 ( -1.775 -4.299 1.050) 4.768 9.758 ( 9.083 6.418 -10.364) 15.202 9.962 ( 13.590 20.416 -14.698) 28.593 10.645 ( -0.712 27.982 -15.866) 32.175 10.857 ( 1.290 -16.999 -29.989) 34.496 11.375 ( -4.716 1.263 -7.526) 8.971 11.392 ( 1.965 -2.805 -8.420) 9.090 11.598 ( -35.655 -19.779 -10.659) 42.144 12.562 ( 3.188 4.360 6.209) 8.230 12.747 ( -8.665 -3.436 12.215) 15.365 13.038 ( 6.429 -4.916 12.544) 14.928 13.346 ( -13.382 -14.364 1.312) 19.676 13.519 ( 15.056 -0.363 11.978) 19.243 13.684 ( -2.365 -0.406 9.157) 9.467 14.100 ( -4.227 9.448 3.562) 10.946 14.270 ( -4.676 -6.091 -3.946) 8.633 14.886 ( 16.376 2.767 -3.998) 17.082 14.931 ( 20.064 18.309 -10.424) 29.094 15.302 ( -6.766 -8.821 -8.409) 13.939 15.799 ( -25.610 -10.017 -5.310) 28.007 16.002 ( 7.949 7.862 3.936) 11.853 16.378 ( -10.761 -9.041 2.673) 14.307 17.628 ( 2.458 1.990 5.446) 6.298 17.677 ( 1.512 -0.801 4.338) 4.663 18.116 ( 4.521 13.645 2.962) 14.677 18.401 ( 0.070 -6.860 8.703) 11.081 19.060 ( -6.231 5.001 4.326) 9.086 19.164 ( 3.300 -13.725 3.225) 14.480 19.822 ( 4.063 9.102 -3.050) 10.424 20.022 ( 4.497 -10.948 -6.375) 13.443 21.692 ( 0.703 17.006 -4.515) 17.609 22.141 ( -5.597 -20.941 -8.137) 23.153 23.736 ( 16.110 10.582 0.919) 19.296 24.208 ( -17.599 -4.142 0.483) 18.086 ======================= Grid point 97 (80/175) ======================= q-point: ( 0.25 -0.08 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.279 ( -40.539 -27.925 13.365) 51.008 4.797 ( -51.550 -9.884 -7.162) 52.975 6.845 ( 4.653 -2.890 -10.228) 11.602 7.137 ( 5.695 -1.784 -27.464) 28.105 7.513 ( -4.497 -10.295 -16.523) 19.980 7.849 ( -62.717 -15.548 26.532) 69.851 8.544 ( -3.655 8.771 15.211) 17.935 8.814 ( 9.212 -6.601 6.626) 13.128 9.201 ( -4.976 3.701 -11.234) 12.832 9.441 ( 5.062 -7.817 12.528) 15.610 9.918 ( -1.375 5.212 2.704) 6.031 10.897 ( -3.564 1.727 1.486) 4.230 11.091 ( -17.757 22.830 5.286) 29.402 11.393 ( -4.978 -4.386 20.774) 21.808 11.677 ( -12.384 7.051 1.108) 14.293 11.783 ( -0.928 -4.418 8.071) 9.248 12.086 ( -13.735 -8.040 -0.115) 15.916 12.502 ( -4.016 -28.839 0.568) 29.123 12.567 ( -5.903 -5.019 4.428) 8.925 12.930 ( 30.205 0.671 -29.934) 42.530 13.636 ( -20.440 -15.252 2.687) 25.645 14.131 ( 16.459 2.358 5.139) 17.403 14.273 ( 7.402 10.706 -1.929) 13.157 14.449 ( -1.163 13.097 2.474) 13.379 14.897 ( 0.638 -5.527 -5.131) 7.568 15.017 ( 0.660 0.220 0.100) 0.703 15.641 ( 19.932 15.458 5.186) 25.751 16.012 ( 10.386 12.924 -23.580) 28.825 16.313 ( -0.189 1.548 -9.016) 9.150 16.535 ( 5.695 -4.477 -0.274) 7.250 17.259 ( -0.512 -11.914 2.902) 12.273 17.574 ( 1.776 -2.720 16.138) 16.462 17.590 ( 7.485 -1.625 -7.814) 10.942 18.130 ( 6.030 -2.924 1.955) 6.981 19.178 ( 7.582 2.272 -5.789) 9.806 19.381 ( 4.578 -3.401 0.005) 5.703 20.510 ( -15.799 15.701 1.628) 22.333 20.850 ( -2.634 15.318 0.448) 15.549 21.240 ( -1.023 1.500 -5.873) 6.148 22.584 ( -8.687 -20.554 -13.214) 25.934 23.324 ( -4.041 9.895 16.451) 19.618 24.102 ( 8.645 -3.986 7.699) 12.243 ======================= Grid point 98 (81/175) ======================= q-point: ( 0.58 -0.08 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.242 ( -26.210 20.571 12.325) 35.525 5.779 ( -1.569 39.682 20.034) 44.481 6.285 ( 14.227 12.606 -8.484) 20.816 6.742 ( 11.539 13.194 -6.888) 18.832 7.197 ( -0.891 10.795 -1.115) 10.889 8.296 ( -1.509 -8.477 0.637) 8.634 8.816 ( -9.326 -22.880 5.280) 25.266 9.386 ( -8.275 -9.215 9.722) 15.745 9.524 ( -1.184 15.509 -2.203) 15.709 9.653 ( -5.941 -11.768 -9.016) 15.971 9.928 ( -28.586 19.120 26.469) 43.398 10.755 ( 6.252 -16.359 -3.381) 17.837 11.312 ( 14.243 15.442 -11.470) 23.934 11.397 ( 13.501 13.585 -5.231) 19.854 11.625 ( 2.560 -0.465 -2.527) 3.627 11.976 ( 3.531 -0.934 2.129) 4.227 12.356 ( -2.570 2.011 0.763) 3.351 12.571 ( -7.273 -11.241 0.544) 13.399 12.867 ( -1.868 1.175 3.603) 4.225 13.109 ( 2.963 24.520 5.515) 25.306 13.477 ( 5.660 -16.496 -6.596) 18.646 13.898 ( -12.358 -6.418 -6.935) 15.556 14.133 ( -3.434 -9.417 9.157) 13.577 14.455 ( -4.285 -1.460 -0.301) 4.537 14.600 ( 6.644 4.839 2.633) 8.631 15.031 ( -4.484 1.803 5.810) 7.558 15.221 ( 9.863 8.207 -9.633) 16.045 15.874 ( -1.692 -5.232 -11.483) 12.731 16.010 ( 11.992 -4.784 9.384) 15.961 16.915 ( -2.427 3.734 -21.385) 21.844 16.994 ( 5.061 3.957 15.492) 16.771 17.482 ( -0.675 6.581 1.813) 6.859 17.855 ( -5.498 -7.040 2.519) 9.281 18.105 ( 4.248 1.833 -2.104) 5.082 18.953 ( -5.593 -2.596 -5.121) 8.016 19.420 ( -3.600 5.672 -1.369) 6.856 20.168 ( 2.821 -28.933 4.921) 29.484 20.697 ( -1.167 -7.775 1.181) 7.950 21.140 ( 1.643 9.313 -0.357) 9.464 22.917 ( -4.706 27.030 1.419) 27.473 23.428 ( -3.772 -20.095 0.793) 20.462 24.259 ( 9.280 -1.126 -1.766) 9.513 ======================= Grid point 99 (82/175) ======================= q-point: ( 0.58 -0.08 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.152 ( -28.459 29.204 19.456) 45.181 6.166 ( -26.176 26.800 31.226) 48.769 6.681 ( 0.534 0.145 -7.769) 7.789 7.166 ( -7.313 -0.281 -0.326) 7.326 7.271 ( -3.836 -5.404 -7.617) 10.096 7.931 ( 3.191 0.402 -11.576) 12.015 8.401 ( 0.013 -7.481 12.555) 14.614 9.027 ( -3.866 -7.462 18.723) 20.523 9.295 ( -11.565 4.312 3.814) 12.919 9.721 ( -7.057 12.819 -3.801) 15.119 9.986 ( -11.928 17.669 17.906) 27.840 10.815 ( 16.158 12.101 -3.661) 20.516 11.607 ( 0.566 3.458 2.829) 4.503 11.730 ( 4.677 -11.297 -8.717) 15.016 11.882 ( -1.554 18.637 -8.229) 20.432 12.241 ( 2.751 -3.960 0.813) 4.890 12.314 ( 5.041 1.799 -2.061) 5.735 12.446 ( 9.255 6.798 3.658) 12.052 12.778 ( -1.192 -3.433 12.431) 12.951 13.091 ( -15.707 -29.153 -6.441) 33.736 13.230 ( 7.565 -7.057 -19.872) 22.404 13.676 ( 3.890 11.761 6.362) 13.926 14.139 ( 10.293 -6.937 2.597) 12.681 14.334 ( -13.575 7.788 3.632) 16.067 14.640 ( -5.062 -0.715 8.599) 10.004 14.962 ( -2.265 -6.540 -4.213) 8.103 15.452 ( -5.130 7.598 -2.010) 9.386 15.794 ( 5.184 -7.369 -7.303) 11.598 16.321 ( 19.443 1.764 2.166) 19.643 16.951 ( 4.970 -0.481 -23.050) 23.585 17.177 ( 7.233 3.279 11.409) 13.900 17.528 ( -1.404 -1.940 3.760) 4.458 17.715 ( -5.506 6.860 0.310) 8.802 18.115 ( -2.681 -3.738 0.240) 4.607 18.670 ( -12.873 -6.497 -9.349) 17.185 19.397 ( -7.237 4.838 -3.235) 9.287 19.864 ( 5.910 -12.094 9.450) 16.447 20.415 ( -5.847 -13.852 3.398) 15.415 21.461 ( 2.340 15.729 -0.870) 15.926 22.911 ( -1.275 -10.671 -0.622) 10.765 23.244 ( -8.130 7.322 5.643) 12.311 24.534 ( 18.340 0.270 -4.515) 18.889 ======================= Grid point 101 (83/175) ======================= q-point: ( 0.25 -0.08 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -43.823 -0.000 22.171) 49.112 3.611 ( -56.549 -0.000 -1.012) 56.558 6.135 ( -82.252 -0.000 38.997) 91.029 6.895 ( 2.319 0.000 -4.468) 5.034 7.242 ( 0.786 0.000 -23.776) 23.789 7.471 ( 4.450 0.000 -9.530) 10.518 8.670 ( 5.129 -0.000 8.500) 9.928 8.818 ( 2.299 0.000 -5.541) 6.000 9.261 ( 2.160 -0.000 7.175) 7.494 9.374 ( 1.834 -0.000 1.580) 2.421 9.845 ( -11.411 -0.000 -2.045) 11.593 10.817 ( -32.614 -0.000 11.947) 34.733 10.828 ( -7.799 0.000 -5.156) 9.350 11.332 ( -15.913 -0.000 14.803) 21.734 11.474 ( -4.709 -0.000 23.669) 24.133 11.624 ( -9.331 -0.000 5.130) 10.649 11.671 ( -6.358 0.000 -4.308) 7.680 12.060 ( -3.359 -0.000 1.773) 3.798 12.226 ( -17.823 -0.000 19.678) 26.550 12.931 ( -29.749 -0.000 2.160) 29.828 13.771 ( 44.315 0.000 -30.237) 53.648 14.381 ( -4.600 0.000 -5.987) 7.550 14.382 ( -6.115 0.000 -5.415) 8.168 14.717 ( 3.017 0.000 0.227) 3.025 14.817 ( 12.085 0.000 -3.376) 12.548 15.154 ( 19.851 -0.000 9.391) 21.960 16.320 ( 14.133 0.000 -7.713) 16.101 16.327 ( 10.062 0.000 -0.200) 10.064 16.541 ( 14.740 0.000 -30.026) 33.449 16.571 ( 15.759 0.000 -3.682) 16.183 17.128 ( 3.041 -0.000 9.124) 9.618 17.689 ( 5.517 0.000 -12.614) 13.768 17.738 ( 9.585 -0.000 20.399) 22.539 18.123 ( -1.717 -0.000 -0.074) 1.719 19.288 ( -0.249 0.000 -9.918) 9.921 19.351 ( -2.348 0.000 -5.304) 5.800 20.337 ( -16.771 -0.000 8.688) 18.888 21.042 ( 1.122 -0.000 1.446) 1.830 21.259 ( -1.276 0.000 -1.191) 1.746 22.139 ( -10.138 0.000 -19.224) 21.734 23.220 ( -14.215 -0.000 11.339) 18.183 24.317 ( 17.165 -0.000 17.717) 24.668 ======================= Grid point 103 (84/175) ======================= q-point: ( 0.58 -0.08 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.278 ( -19.450 29.573 14.466) 38.238 5.870 ( -35.848 7.247 21.100) 42.224 6.276 ( -13.096 -17.372 -1.985) 21.845 6.409 ( -28.811 -18.910 -16.250) 38.102 6.874 ( -18.046 -1.614 -0.768) 18.134 8.354 ( -3.164 8.419 -1.256) 9.081 8.514 ( 2.645 -4.173 -0.471) 4.963 8.830 ( 7.664 6.622 8.370) 13.139 9.529 ( 26.503 0.809 9.409) 28.135 10.015 ( 1.095 23.591 5.910) 24.345 10.294 ( 1.034 17.430 13.229) 21.906 11.146 ( 1.449 -22.547 -24.560) 33.371 11.587 ( 10.120 9.542 -11.778) 18.226 11.725 ( 3.772 1.016 2.643) 4.716 11.979 ( -21.683 1.517 -1.276) 21.773 12.015 ( -0.214 -13.021 16.306) 20.868 12.335 ( -8.477 5.663 -7.752) 12.807 12.567 ( -3.437 -4.323 0.595) 5.554 12.617 ( 7.454 12.123 10.126) 17.467 12.855 ( 4.016 -6.324 3.372) 8.216 13.247 ( 8.552 -11.613 -9.723) 17.393 14.025 ( 9.844 -3.027 -2.070) 10.505 14.079 ( -15.683 15.998 -0.678) 22.413 14.370 ( -5.703 -0.757 1.819) 6.034 14.446 ( -3.022 4.570 9.356) 10.842 14.748 ( 13.332 -16.354 -7.533) 22.405 15.346 ( -11.083 1.206 0.119) 11.149 15.784 ( 4.824 -3.616 -2.291) 6.449 16.699 ( 12.715 2.864 -3.791) 13.574 17.045 ( 2.350 -2.281 -4.470) 5.541 17.382 ( 4.893 3.026 2.212) 6.164 17.521 ( 6.152 -0.578 3.055) 6.893 17.750 ( -6.267 5.975 -4.753) 9.877 17.929 ( -1.274 -6.133 3.985) 7.423 18.324 ( -9.015 -3.540 -3.352) 10.249 19.349 ( -12.145 6.755 -2.928) 14.203 19.835 ( 0.813 -0.017 3.308) 3.407 19.980 ( -7.420 -13.063 3.463) 15.417 21.671 ( -2.687 5.422 -0.605) 6.082 22.927 ( 12.447 -0.984 -0.096) 12.486 23.128 ( -9.377 0.840 3.197) 9.943 24.896 ( 16.155 0.237 -2.721) 16.384 ======================= Grid point 108 (85/175) ======================= q-point: ( 0.44 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.998 ( 0.000 28.310 10.848) 30.317 5.486 ( -0.000 24.197 -21.296) 32.233 5.717 ( -0.000 -9.490 -21.520) 23.519 6.226 ( -0.000 2.877 -23.894) 24.066 6.497 ( -0.000 4.221 -9.729) 10.605 8.164 ( -0.000 5.078 0.197) 5.082 8.618 ( -0.000 5.548 -10.064) 11.492 9.234 ( -0.000 0.982 -0.445) 1.078 9.921 ( 0.000 4.880 31.572) 31.947 10.228 ( 0.000 4.352 13.573) 14.254 10.292 ( 0.000 6.747 26.254) 27.107 11.100 ( -0.000 -32.352 -26.174) 41.614 11.360 ( -0.000 0.621 -2.729) 2.799 11.872 ( -0.000 17.515 -15.604) 23.458 11.903 ( 0.000 -14.058 -2.371) 14.257 11.988 ( 0.000 -1.027 12.558) 12.600 12.015 ( 0.000 -25.318 -5.885) 25.993 12.734 ( -0.000 11.699 -6.270) 13.273 12.749 ( -0.000 16.528 -6.191) 17.649 13.112 ( -0.000 7.008 1.760) 7.225 13.415 ( 0.000 0.553 0.871) 1.032 13.456 ( 0.000 2.203 11.183) 11.398 13.662 ( 0.000 6.791 6.633) 9.493 14.321 ( -0.000 1.353 -3.361) 3.623 14.881 ( -0.000 -2.867 -2.504) 3.806 15.060 ( 0.000 -11.600 6.430) 13.263 15.284 ( -0.000 -0.109 -15.808) 15.808 15.850 ( -0.000 3.890 0.687) 3.950 16.285 ( 0.000 -18.533 18.993) 26.537 17.249 ( -0.000 1.592 -4.693) 4.956 17.484 ( -0.000 3.351 -2.631) 4.260 17.594 ( 0.000 -1.998 3.247) 3.812 17.905 ( -0.000 -2.577 -17.405) 17.595 18.116 ( 0.000 -0.517 2.252) 2.310 18.403 ( -0.000 6.288 -2.257) 6.681 18.545 ( 0.000 -10.753 8.440) 13.670 19.668 ( -0.000 9.565 1.819) 9.736 20.042 ( -0.000 12.001 -1.190) 12.060 21.626 ( -0.000 -5.342 -1.734) 5.616 22.941 ( 0.000 -1.940 0.988) 2.177 23.246 ( -0.000 7.115 0.923) 7.175 25.162 ( 0.000 -7.557 4.220) 8.656 ======================= Grid point 109 (86/175) ======================= q-point: (-0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -0.000 -14.837 -54.036) 56.036 2.689 ( -0.000 -10.594 -59.268) 60.207 4.484 ( -0.000 -53.258 -79.141) 95.393 6.619 ( 0.000 5.699 3.707) 6.798 7.190 ( -0.000 7.306 -11.151) 13.331 7.555 ( -0.000 4.607 -1.852) 4.965 8.574 ( 0.000 1.618 17.943) 18.016 8.841 ( -0.000 14.978 1.220) 15.027 9.354 ( -0.000 7.852 -1.040) 7.921 9.383 ( -0.000 -5.128 -11.799) 12.865 9.534 ( 0.000 -11.473 2.446) 11.731 10.290 ( -0.000 -22.123 -19.390) 29.417 10.453 ( 0.000 -18.059 0.497) 18.066 10.818 ( 0.000 -22.941 6.564) 23.862 11.271 ( -0.000 0.934 -1.178) 1.503 11.695 ( -0.000 -9.906 -21.673) 23.829 11.853 ( -0.000 3.134 -28.668) 28.838 12.017 ( -0.000 -2.986 -20.721) 20.935 12.311 ( -0.000 -0.615 -26.265) 26.272 13.087 ( 0.000 -34.052 -4.641) 34.367 13.715 ( 0.000 2.220 0.741) 2.340 13.933 ( -0.000 4.551 -8.814) 9.920 14.534 ( -0.000 1.858 -2.428) 3.058 14.997 ( 0.000 16.388 8.403) 18.417 15.224 ( 0.000 5.354 32.842) 33.276 15.527 ( 0.000 34.930 22.839) 41.734 16.008 ( 0.000 7.099 21.184) 22.341 16.754 ( 0.000 9.130 6.284) 11.083 16.952 ( 0.000 -25.195 34.803) 42.966 17.204 ( 0.000 -3.444 7.130) 7.918 17.323 ( -0.000 -4.056 -4.173) 5.819 17.747 ( -0.000 0.379 -0.960) 1.032 17.964 ( 0.000 13.494 5.097) 14.425 18.064 ( -0.000 -0.083 -1.263) 1.266 18.420 ( 0.000 -2.080 5.025) 5.438 18.680 ( -0.000 4.130 -8.253) 9.228 19.905 ( -0.000 2.248 -11.166) 11.390 20.746 ( -0.000 31.301 -17.425) 35.825 21.174 ( 0.000 -5.274 3.432) 6.292 22.098 ( 0.000 -20.661 -3.773) 21.003 22.897 ( -0.000 -3.504 -10.806) 11.360 25.705 ( 0.000 3.374 12.868) 13.303 ======================= Grid point 110 (87/175) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 1.839 ( -0.000 48.386 -0.000) 48.386 2.513 ( -0.000 64.161 -0.000) 64.161 3.925 ( -0.000 97.077 -0.000) 97.077 6.699 ( 0.000 -5.629 0.000) 5.629 6.951 ( -0.000 3.379 -0.000) 3.379 7.702 ( -0.000 4.258 -0.000) 4.258 8.435 ( 0.000 -20.792 0.000) 20.792 8.978 ( 0.000 -9.097 0.000) 9.097 9.132 ( -0.000 0.873 -0.000) 0.873 9.456 ( 0.000 -0.321 0.000) 0.321 9.701 ( -0.000 6.611 -0.000) 6.611 10.246 ( -0.000 29.404 -0.000) 29.404 10.916 ( -0.000 26.696 -0.000) 26.696 11.240 ( -0.000 6.908 -0.000) 6.908 11.292 ( -0.000 16.476 -0.000) 16.476 11.388 ( -0.000 6.312 -0.000) 6.312 11.469 ( -0.000 15.944 -0.000) 15.944 11.584 ( -0.000 30.768 -0.000) 30.768 11.746 ( -0.000 11.047 -0.000) 11.047 13.558 ( 0.000 -9.151 0.000) 9.151 13.749 ( 0.000 -0.193 0.000) 0.193 14.437 ( 0.000 -2.984 0.000) 2.984 14.695 ( -0.000 2.509 -0.000) 2.509 14.937 ( 0.000 -6.072 0.000) 6.072 15.608 ( 0.000 -38.507 0.000) 38.507 15.719 ( 0.000 -29.366 0.000) 29.366 16.240 ( 0.000 -23.087 0.000) 23.087 16.249 ( 0.000 -11.397 0.000) 11.397 17.197 ( -0.000 7.216 -0.000) 7.216 17.370 ( 0.000 -12.742 0.000) 12.742 17.663 ( -0.000 4.440 -0.000) 4.440 17.795 ( 0.000 -2.252 0.000) 2.252 18.034 ( 0.000 -0.269 0.000) 0.269 18.243 ( 0.000 -6.364 0.000) 6.364 18.452 ( -0.000 14.571 -0.000) 14.571 18.454 ( 0.000 -2.091 0.000) 2.091 19.347 ( 0.000 -3.314 0.000) 3.314 19.554 ( -0.000 0.369 -0.000) 0.369 21.463 ( -0.000 9.469 -0.000) 9.469 22.395 ( -0.000 13.848 -0.000) 13.848 22.614 ( -0.000 3.048 -0.000) 3.048 25.826 ( 0.000 -8.521 0.000) 8.521 ======================= Grid point 111 (88/175) ======================= q-point: ( 0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 40.504 41.925 -0.000) 58.294 3.890 ( 14.625 58.523 -0.000) 60.323 5.883 ( 16.277 84.850 -0.000) 86.397 6.720 ( 12.786 -5.980 0.000) 14.115 7.019 ( 1.073 1.558 -0.000) 1.892 7.746 ( 1.608 0.421 0.000) 1.662 8.181 ( 6.405 -10.994 0.000) 12.723 8.821 ( 1.535 -8.182 0.000) 8.325 9.295 ( 11.782 2.828 0.000) 12.116 9.488 ( 5.567 -0.969 0.000) 5.651 9.714 ( -9.654 3.854 -0.000) 10.395 10.778 ( -13.163 38.034 -0.000) 40.248 11.178 ( -18.732 7.002 -0.000) 19.998 11.403 ( -10.566 13.289 -0.000) 16.977 11.517 ( -9.983 22.772 -0.000) 24.864 11.585 ( 20.733 9.837 0.000) 22.948 12.084 ( 19.354 23.547 -0.000) 30.480 12.215 ( 6.332 15.259 -0.000) 16.521 12.296 ( 22.380 21.250 -0.000) 30.862 13.451 ( 6.721 -10.116 0.000) 12.145 13.666 ( -3.237 -7.516 0.000) 8.184 14.340 ( -4.265 3.399 -0.000) 5.454 14.451 ( 3.751 -35.360 0.000) 35.558 14.460 ( -1.331 -35.483 0.000) 35.508 14.997 ( -9.455 -5.686 -0.000) 11.033 15.519 ( -20.277 -25.967 0.000) 32.946 15.604 ( 3.937 3.573 -0.000) 5.316 15.863 ( -13.347 -10.931 0.000) 17.252 17.007 ( -2.791 -17.812 0.000) 18.030 17.249 ( -10.150 3.857 -0.000) 10.858 17.522 ( -10.988 -4.618 -0.000) 11.919 17.540 ( -8.928 9.174 -0.000) 12.801 18.121 ( 0.798 -2.872 0.000) 2.981 18.274 ( 12.758 -7.498 0.000) 14.798 18.642 ( 17.439 -7.736 0.000) 19.078 18.928 ( 25.891 1.128 0.000) 25.916 19.359 ( 4.276 0.626 0.000) 4.322 19.551 ( -4.173 3.796 -0.000) 5.641 21.620 ( -2.935 9.484 -0.000) 9.927 22.634 ( -3.047 -0.422 -0.000) 3.076 22.757 ( 6.207 16.403 -0.000) 17.538 25.450 ( -16.508 -8.153 -0.000) 18.412 ======================= Grid point 112 (89/175) ======================= q-point: (-0.56 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.194 ( 6.907 -14.425 -37.358) 40.638 5.681 ( 18.532 -8.126 -35.559) 40.914 6.152 ( 17.253 25.165 2.718) 30.632 6.717 ( 5.226 31.364 -7.893) 32.761 6.837 ( 12.410 14.503 -11.390) 22.228 8.228 ( -6.837 4.695 1.229) 8.384 8.731 ( -11.368 -18.601 -7.325) 22.998 8.933 ( 9.712 1.219 -15.354) 18.208 9.498 ( -0.347 -23.373 7.940) 24.688 10.017 ( -5.090 -14.520 -16.808) 22.787 10.250 ( -8.445 -13.280 -0.768) 15.757 11.063 ( -10.713 0.733 11.122) 15.460 11.367 ( 1.589 -12.563 8.035) 14.997 11.505 ( 5.986 -21.752 0.073) 22.561 11.595 ( 7.833 11.534 5.391) 14.948 12.062 ( 1.761 9.609 5.908) 11.417 12.389 ( 19.150 3.483 -6.712) 20.589 12.730 ( -10.510 0.293 -7.543) 12.940 12.956 ( -5.976 0.198 -11.542) 12.999 13.021 ( -8.788 13.360 -0.499) 15.999 13.362 ( -8.400 -1.633 9.698) 12.933 13.573 ( 7.304 -4.206 6.840) 10.855 14.152 ( 5.632 22.494 7.133) 24.261 14.407 ( -1.258 1.622 -1.953) 2.833 14.619 ( -3.467 -4.161 -9.814) 11.210 14.913 ( -0.645 -2.460 6.450) 6.933 15.299 ( 5.079 -1.945 -12.558) 13.685 15.839 ( -8.240 4.903 17.202) 19.694 16.187 ( 9.378 -7.002 13.001) 17.492 17.254 ( -7.768 0.594 1.306) 7.899 17.343 ( -3.385 -4.354 4.822) 7.326 17.709 ( 2.701 5.287 -5.680) 8.217 17.798 ( -4.412 -3.038 -10.551) 11.833 18.139 ( 0.388 -1.191 -2.711) 2.986 18.201 ( -3.358 2.133 2.410) 4.652 18.739 ( 13.844 -4.680 4.378) 15.255 19.994 ( 9.554 13.116 -0.155) 16.228 20.334 ( -1.701 19.731 -5.115) 20.454 21.479 ( 1.189 -10.767 -2.012) 11.017 22.779 ( -1.598 -11.379 7.994) 13.998 23.375 ( -1.117 6.790 -11.185) 13.133 24.955 ( -8.620 -4.524 10.982) 14.676 ======================= Grid point 113 (90/175) ======================= q-point: (-0.22 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 13.564 0.000 -55.717) 57.345 2.774 ( 13.694 0.000 -57.102) 58.721 4.451 ( 50.628 0.000 -79.104) 93.918 6.818 ( 11.366 -0.000 3.905) 12.018 7.157 ( -8.116 0.000 -12.676) 15.051 7.599 ( -0.128 0.000 -3.346) 3.349 8.547 ( -6.390 -0.000 19.438) 20.461 9.117 ( 9.880 -0.000 3.701) 10.551 9.188 ( -15.329 -0.000 -2.751) 15.574 9.311 ( 0.447 0.000 -2.033) 2.081 9.454 ( -4.079 -0.000 -0.385) 4.097 10.243 ( 21.496 0.000 -17.944) 28.001 10.455 ( 9.976 0.000 -1.521) 10.091 10.750 ( 19.941 0.000 1.609) 20.006 11.438 ( 14.075 0.000 -0.217) 14.077 11.519 ( -4.314 0.000 -20.547) 20.995 11.872 ( 1.746 0.000 -29.573) 29.624 12.162 ( 11.080 0.000 -28.599) 30.670 12.430 ( 0.897 0.000 -2.103) 2.287 12.432 ( -11.772 0.000 -32.353) 34.428 13.889 ( 12.333 -0.000 3.219) 12.747 14.037 ( 5.382 0.000 -9.320) 10.763 14.533 ( -4.277 -0.000 1.793) 4.638 14.898 ( -29.476 -0.000 29.800) 41.915 15.101 ( -4.455 -0.000 2.299) 5.013 16.059 ( -9.566 -0.000 23.130) 25.030 16.131 ( -2.455 -0.000 32.745) 32.836 16.290 ( -7.660 -0.000 16.110) 17.838 16.773 ( -7.608 -0.000 7.184) 10.464 17.129 ( 1.876 -0.000 14.363) 14.485 17.387 ( 0.565 -0.000 0.936) 1.093 17.650 ( -10.170 0.000 -5.764) 11.690 18.018 ( -7.315 -0.000 3.011) 7.911 18.322 ( -4.156 0.000 -7.317) 8.415 18.325 ( 21.933 -0.000 11.525) 24.777 18.884 ( 13.019 -0.000 3.225) 13.412 20.050 ( 11.687 0.000 -11.425) 16.344 21.093 ( -0.162 0.000 -0.050) 0.169 21.241 ( -0.359 0.000 -1.687) 1.725 21.770 ( 0.638 0.000 -7.243) 7.271 22.930 ( 7.603 0.000 -9.939) 12.513 25.499 ( -21.240 -0.000 4.120) 21.636 ======================= Grid point 115 (91/175) ======================= q-point: ( 0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( 39.400 36.617 -0.000) 53.788 5.254 ( 15.497 49.937 -0.000) 52.286 6.816 ( 5.430 -3.331 0.000) 6.370 7.024 ( -2.207 -0.878 -0.000) 2.375 7.643 ( 27.909 18.433 -0.000) 33.447 8.055 ( 19.391 40.857 -0.000) 45.225 8.174 ( 9.537 -11.341 0.000) 14.818 8.796 ( 6.527 2.652 0.000) 7.045 9.455 ( -7.873 -5.368 0.000) 9.529 9.646 ( 3.102 9.212 -0.000) 9.721 9.651 ( 13.714 -3.605 0.000) 14.180 10.849 ( -25.389 5.270 -0.000) 25.930 11.215 ( -14.002 32.913 -0.000) 35.768 11.432 ( -9.663 9.889 -0.000) 13.826 11.585 ( -11.984 13.705 -0.000) 18.206 12.215 ( 13.940 6.895 0.000) 15.552 12.358 ( 0.910 -3.933 0.000) 4.037 12.956 ( 17.388 20.944 -0.000) 27.221 13.155 ( 2.910 -18.012 0.000) 18.245 13.193 ( -8.083 -19.965 0.000) 21.539 13.238 ( 19.626 8.443 0.000) 21.365 13.612 ( -4.572 -37.717 0.000) 37.994 14.135 ( 16.061 -20.074 0.000) 25.709 14.439 ( -0.656 11.060 -0.000) 11.079 14.665 ( -15.908 -3.013 -0.000) 16.190 14.747 ( -17.454 -5.040 -0.000) 18.167 15.494 ( -6.409 -8.786 0.000) 10.875 15.811 ( 3.801 8.938 -0.000) 9.713 16.573 ( -6.913 -18.200 0.000) 19.469 16.963 ( -20.853 1.227 -0.000) 20.889 17.425 ( 2.608 2.523 -0.000) 3.629 17.618 ( -0.525 5.790 -0.000) 5.814 18.098 ( 3.053 -2.842 0.000) 4.171 18.313 ( 7.977 -7.999 0.000) 11.297 18.749 ( 12.731 -12.112 0.000) 17.572 19.301 ( 18.786 -10.922 0.000) 21.730 19.555 ( 6.785 8.505 -0.000) 10.880 19.602 ( -4.383 13.281 -0.000) 13.985 21.740 ( -2.896 10.028 -0.000) 10.438 22.415 ( -10.939 -8.250 0.000) 13.701 23.226 ( 9.621 14.610 -0.000) 17.494 24.942 ( -17.847 -8.838 -0.000) 19.916 ======================= Grid point 116 (92/175) ======================= q-point: (-0.56 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.090 ( 10.314 -10.707 -46.851) 49.153 5.870 ( 22.610 -19.842 -33.638) 45.127 6.757 ( 3.151 5.714 -5.498) 8.533 7.188 ( -2.928 2.539 -5.090) 6.397 7.350 ( -2.352 12.026 -2.724) 12.553 8.068 ( -4.869 12.118 -3.580) 13.541 8.405 ( 9.197 2.601 4.956) 10.767 8.878 ( 16.206 -23.133 -18.340) 33.677 9.508 ( -0.704 0.805 -14.859) 14.897 9.693 ( -15.261 -3.113 -5.672) 16.575 9.800 ( 10.360 -17.435 -18.981) 27.777 10.722 ( -0.725 -3.306 7.552) 8.276 11.175 ( 13.814 -19.979 -2.060) 24.377 11.594 ( 10.227 3.654 10.844) 15.347 11.726 ( -4.954 1.189 7.993) 9.479 12.337 ( -10.507 4.686 3.471) 12.017 12.487 ( -3.489 -8.530 -6.178) 11.095 12.609 ( -10.933 -5.619 6.217) 13.775 12.761 ( 0.867 -1.389 6.538) 6.740 12.979 ( -7.362 8.454 0.934) 11.249 13.375 ( 5.881 11.870 -0.184) 13.248 13.616 ( 4.609 -0.211 0.304) 4.624 14.133 ( -7.370 -5.794 -3.398) 9.971 14.629 ( 0.679 18.129 2.284) 18.285 14.834 ( -0.629 -1.046 4.129) 4.305 14.879 ( 8.200 4.179 -12.577) 15.585 15.328 ( 2.541 -4.765 -5.168) 7.474 15.746 ( -8.406 0.624 21.225) 22.838 16.252 ( 5.705 -1.042 7.795) 9.715 16.875 ( -16.986 -4.300 -2.669) 17.724 17.389 ( 1.252 2.334 8.165) 8.584 17.606 ( -10.601 -2.124 -6.249) 12.488 17.806 ( 0.518 3.671 -7.681) 8.529 18.135 ( -0.093 0.682 3.381) 3.451 18.358 ( 11.138 2.016 0.183) 11.320 18.893 ( 13.673 -5.503 7.058) 16.342 20.454 ( 6.878 15.774 -4.849) 17.878 20.694 ( -2.750 19.711 -4.804) 20.474 21.257 ( -0.622 -11.934 -3.380) 12.419 22.585 ( 6.671 -11.556 7.308) 15.214 23.413 ( -1.288 -0.637 -10.287) 10.387 24.685 ( -13.898 0.740 12.596) 18.771 ======================= Grid point 117 (93/175) ======================= q-point: (-0.56 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.163 ( 7.085 -4.187 -35.657) 36.594 5.688 ( 6.713 -24.568 -39.182) 46.732 6.496 ( -22.655 -3.869 -5.922) 23.734 6.701 ( -19.854 -7.572 6.927) 22.349 7.330 ( -9.680 -1.359 -16.717) 19.365 8.455 ( 9.973 4.616 -7.330) 13.209 8.793 ( 7.099 7.613 6.751) 12.406 9.121 ( 20.479 1.450 9.885) 22.786 9.447 ( 3.587 -0.654 -0.168) 3.650 9.617 ( 15.071 -0.917 -23.840) 28.219 9.706 ( 12.442 -8.780 -15.410) 21.664 10.733 ( 5.451 -8.383 -0.910) 10.041 11.214 ( -21.574 -0.573 20.118) 29.504 11.639 ( -2.795 14.810 -2.648) 15.302 11.830 ( -6.854 5.069 3.173) 9.096 11.914 ( 2.713 3.449 15.132) 15.756 12.258 ( -0.266 -11.022 -3.766) 11.651 12.520 ( -9.785 -5.835 -4.905) 12.404 12.669 ( 11.617 -0.587 -5.360) 12.808 12.918 ( -4.842 -12.131 5.493) 14.170 13.467 ( 3.599 -10.127 -0.700) 10.771 13.945 ( 10.151 14.025 13.026) 21.666 14.090 ( -5.163 8.563 -11.476) 15.221 14.706 ( -3.489 -4.076 6.765) 8.634 14.901 ( -0.589 10.117 -12.431) 16.038 15.069 ( 5.594 -0.519 -20.624) 21.375 15.258 ( -5.826 1.009 5.831) 8.305 15.516 ( -5.692 -4.320 22.525) 23.631 16.355 ( 4.947 -1.709 0.981) 5.325 16.552 ( -11.378 1.551 0.132) 11.484 17.278 ( -12.206 -1.920 -6.702) 14.056 17.475 ( -0.550 0.344 0.730) 0.976 17.913 ( 1.387 1.198 2.566) 3.154 18.050 ( -1.993 -2.967 8.520) 9.239 18.658 ( 13.492 2.019 -1.690) 13.747 19.086 ( 13.426 -2.650 7.580) 15.644 20.802 ( 3.370 5.029 -5.281) 8.033 20.938 ( -6.788 15.969 -2.134) 17.482 21.123 ( -0.189 4.246 -5.437) 6.901 22.443 ( 4.197 -20.187 -6.925) 21.750 23.436 ( 7.127 2.057 5.696) 9.352 24.457 ( -14.229 3.362 8.782) 17.055 ======================= Grid point 118 (94/175) ======================= q-point: (-0.22 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.252 ( 40.735 27.794 -11.292) 50.590 4.846 ( 25.628 38.276 -31.197) 55.634 6.854 ( -5.443 3.896 14.882) 16.318 6.962 ( 1.805 8.634 -7.376) 11.498 7.364 ( 14.480 14.943 2.423) 20.948 7.953 ( 32.372 17.662 -27.660) 46.097 8.394 ( 1.850 -4.726 5.797) 7.705 8.452 ( 6.104 -10.911 4.316) 13.226 9.394 ( 12.383 -12.135 4.101) 17.817 9.534 ( -0.210 13.963 -5.845) 15.139 9.779 ( 5.937 -0.842 0.885) 6.061 10.738 ( -10.976 -5.770 -9.173) 15.424 11.097 ( 6.237 17.135 -11.806) 21.723 11.633 ( 0.268 0.828 -13.359) 13.387 11.783 ( 7.600 0.230 -12.416) 14.559 11.943 ( 5.629 9.010 -14.526) 17.996 12.235 ( 9.551 9.521 -0.082) 13.486 12.527 ( 14.092 -1.993 -9.441) 17.079 12.891 ( -25.436 -1.373 24.579) 35.398 13.052 ( -3.915 26.220 5.518) 27.079 13.552 ( 13.341 8.746 -1.668) 16.039 14.053 ( -8.101 -1.690 5.559) 9.969 14.130 ( -2.031 -25.644 13.837) 29.210 14.262 ( 2.969 -4.199 -3.383) 6.156 14.580 ( 0.231 -6.855 6.481) 9.436 15.229 ( -10.429 -0.499 -0.123) 10.442 15.527 ( -3.680 -9.781 12.389) 16.208 15.940 ( -9.916 -9.805 -10.337) 17.359 16.323 ( -18.103 3.077 7.891) 19.986 16.896 ( -11.152 1.691 -9.190) 14.549 17.371 ( 2.928 0.396 10.466) 10.875 17.513 ( -4.782 11.406 13.664) 18.430 17.667 ( 4.282 -6.339 -4.396) 8.823 18.230 ( -1.776 -1.223 4.105) 4.637 19.008 ( 8.236 -3.605 12.072) 15.052 19.363 ( 7.111 5.221 3.717) 9.573 20.018 ( 0.913 -25.211 -10.861) 27.466 20.517 ( 8.204 -11.746 -8.280) 16.548 21.234 ( -3.429 9.272 2.690) 10.245 22.739 ( 10.025 20.891 0.077) 23.172 23.192 ( 6.810 -11.827 -9.751) 16.773 24.596 ( -20.980 0.391 -0.617) 20.992 ======================= Grid point 119 (95/175) ======================= q-point: ( 0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.112 ( 24.720 30.235 -0.000) 39.055 6.360 ( 8.537 36.648 -0.000) 37.630 6.682 ( -10.442 -5.842 -0.000) 11.965 6.808 ( -15.028 -6.482 -0.000) 16.366 8.089 ( 12.335 -13.274 0.000) 18.121 8.132 ( 34.331 -12.250 0.000) 36.450 8.923 ( -2.641 -9.845 0.000) 10.193 9.215 ( 22.215 0.521 0.000) 22.221 9.648 ( 5.555 3.267 0.000) 6.445 9.739 ( 5.054 -5.086 0.000) 7.170 9.931 ( 13.736 45.808 -0.000) 47.823 10.484 ( -24.479 9.315 -0.000) 26.191 11.328 ( -23.052 13.562 -0.000) 26.746 11.392 ( -10.137 4.081 -0.000) 10.927 11.597 ( -15.209 14.137 -0.000) 20.765 11.868 ( -40.814 -19.553 -0.000) 45.255 12.436 ( 16.270 -4.932 0.000) 17.002 12.478 ( 7.555 -23.749 0.000) 24.922 12.752 ( 12.347 -16.632 0.000) 20.714 12.999 ( 3.834 -20.487 0.000) 20.843 13.672 ( 13.179 13.145 -0.000) 18.614 13.901 ( 6.087 9.656 -0.000) 11.415 14.099 ( 11.091 -8.549 0.000) 14.004 14.334 ( -13.634 -4.334 -0.000) 14.307 14.645 ( 7.123 9.477 -0.000) 11.856 14.958 ( 9.959 24.007 -0.000) 25.991 15.157 ( -8.331 -9.742 0.000) 12.819 15.970 ( -19.289 -18.013 0.000) 26.392 16.091 ( 5.699 9.855 -0.000) 11.384 16.546 ( -18.872 -3.249 -0.000) 19.149 17.590 ( 6.417 0.468 0.000) 6.434 17.678 ( 2.421 -1.832 0.000) 3.036 18.200 ( 10.118 0.855 0.000) 10.154 18.266 ( 1.969 -8.847 0.000) 9.063 18.698 ( 8.099 -12.159 0.000) 14.609 19.345 ( 7.377 -6.580 0.000) 9.885 19.835 ( -1.945 13.911 -0.000) 14.046 19.923 ( 4.661 16.020 -0.000) 16.684 21.940 ( -14.378 -12.262 0.000) 18.896 21.946 ( 1.808 13.458 -0.000) 13.579 23.660 ( 10.141 9.333 -0.000) 13.782 24.405 ( -16.889 -11.815 0.000) 20.612 ======================= Grid point 120 (96/175) ======================= q-point: ( 0.11 -0.11 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.031 ( -28.451 -24.186 0.000) 37.342 6.143 ( -28.353 -11.373 -0.000) 30.549 6.864 ( 5.525 15.608 -0.000) 16.557 7.040 ( -0.370 21.784 -0.000) 21.787 8.255 ( 16.651 -3.932 0.000) 17.109 8.511 ( 27.283 -12.095 0.000) 29.844 8.623 ( 4.370 -19.521 0.000) 20.004 9.025 ( -0.156 -31.789 0.000) 31.789 9.539 ( -4.415 6.338 -0.000) 7.724 9.904 ( -28.323 -5.959 -0.000) 28.943 10.144 ( -14.078 -3.405 -0.000) 14.484 10.545 ( -23.854 4.201 -0.000) 24.221 10.886 ( -18.435 2.917 -0.000) 18.664 11.288 ( 21.008 21.484 -0.000) 30.048 11.383 ( -8.290 3.531 -0.000) 9.010 11.562 ( -11.716 12.030 -0.000) 16.792 12.300 ( 8.406 -14.624 0.000) 16.868 12.671 ( 18.834 -4.238 0.000) 19.305 13.035 ( 20.482 -3.476 0.000) 20.775 13.152 ( 23.295 12.282 0.000) 26.335 13.759 ( -3.041 -11.893 0.000) 12.276 13.841 ( -4.013 -21.840 0.000) 22.206 14.000 ( -7.767 10.267 -0.000) 12.874 14.367 ( -3.278 19.769 -0.000) 20.039 14.898 ( -8.655 -3.864 -0.000) 9.478 15.059 ( 19.087 2.363 0.000) 19.233 15.158 ( -24.850 -13.537 -0.000) 28.298 15.693 ( 13.358 23.718 -0.000) 27.221 16.140 ( -13.781 -3.857 -0.000) 14.310 16.382 ( 6.705 6.534 -0.000) 9.362 17.626 ( 0.499 -3.366 0.000) 3.403 17.684 ( 7.444 -5.878 0.000) 9.485 17.964 ( -10.591 -13.873 0.000) 17.454 18.327 ( 11.449 -13.878 0.000) 17.991 18.797 ( 10.748 6.135 0.000) 12.375 19.391 ( 8.093 -4.624 0.000) 9.321 20.030 ( -9.942 18.104 -0.000) 20.654 20.278 ( -2.324 16.978 -0.000) 17.136 21.502 ( -8.375 -7.619 0.000) 11.322 22.345 ( 6.811 17.801 -0.000) 19.059 23.809 ( -16.328 -16.093 0.000) 22.926 23.967 ( 10.001 1.858 0.000) 10.172 ======================= Grid point 121 (97/175) ======================= q-point: ( 0.44 -0.11 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.918 ( -22.338 -0.000 -0.355) 22.340 5.360 ( -24.878 0.000 -19.415) 31.557 6.177 ( 3.547 0.000 -23.752) 24.015 6.418 ( 1.635 0.000 -8.178) 8.340 7.116 ( -6.521 0.000 -15.411) 16.733 8.594 ( 0.032 0.000 -13.931) 13.931 8.813 ( 0.127 -0.000 7.178) 7.179 9.355 ( 0.569 -0.000 21.044) 21.051 9.637 ( -4.070 -0.000 10.334) 11.107 9.704 ( -27.171 -0.000 13.219) 30.216 9.906 ( 17.837 -0.000 8.601) 19.802 10.734 ( 4.184 0.000 -5.909) 7.240 10.975 ( 26.368 0.000 -19.728) 32.931 11.705 ( -7.502 -0.000 1.495) 7.649 11.886 ( 0.360 -0.000 4.976) 4.989 12.058 ( -7.188 0.000 -8.645) 11.243 12.078 ( -7.972 0.000 -3.059) 8.539 12.162 ( -5.241 -0.000 7.144) 8.860 12.595 ( -10.503 -0.000 21.162) 23.625 13.186 ( 23.823 0.000 -15.142) 28.228 13.210 ( -7.811 -0.000 11.184) 13.642 14.063 ( -3.857 0.000 -6.994) 7.987 14.269 ( 5.672 -0.000 5.160) 7.668 14.638 ( 1.519 0.000 -6.179) 6.363 14.825 ( -19.741 0.000 -6.566) 20.805 15.078 ( -0.143 -0.000 0.211) 0.255 15.254 ( 11.527 0.000 -19.123) 22.329 15.637 ( 14.274 -0.000 18.126) 23.071 16.359 ( -0.598 0.000 -1.117) 1.267 16.417 ( -6.712 -0.000 0.661) 6.745 17.085 ( -2.900 0.000 -8.712) 9.182 17.435 ( -2.438 0.000 -3.123) 3.962 17.848 ( -0.078 -0.000 14.711) 14.711 18.104 ( 2.570 -0.000 0.583) 2.635 18.921 ( 11.025 0.000 -1.409) 11.115 19.269 ( 6.983 -0.000 3.274) 7.712 20.803 ( -4.022 0.000 -3.947) 5.635 21.041 ( 0.971 -0.000 2.537) 2.716 21.280 ( -1.902 0.000 -2.914) 3.480 22.108 ( -5.488 0.000 -15.121) 16.086 23.706 ( 12.166 -0.000 13.144) 17.911 24.226 ( -11.196 -0.000 5.096) 12.301 ======================= Grid point 122 (98/175) ======================= q-point: (-0.22 -0.11 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.551 ( 30.881 28.636 -5.301) 42.447 6.027 ( 23.820 32.017 -22.924) 46.022 6.779 ( -14.095 8.232 9.137) 18.706 7.081 ( 0.150 4.194 2.683) 4.980 7.685 ( -3.732 12.002 18.832) 22.641 8.174 ( -6.907 -12.018 1.840) 13.983 8.322 ( 13.590 -10.185 16.369) 23.588 9.047 ( 16.826 -10.218 1.068) 19.714 9.524 ( 9.640 0.936 -6.342) 11.577 9.840 ( 14.800 21.469 -21.760) 33.963 9.925 ( 2.731 9.693 2.793) 10.450 10.498 ( -0.102 4.339 -9.491) 10.436 11.419 ( 0.936 7.081 -13.252) 15.054 11.624 ( 1.337 -2.979 -7.741) 8.402 11.851 ( 0.445 -6.505 -16.305) 17.560 11.979 ( -21.166 2.777 0.308) 21.350 12.293 ( -13.930 7.061 11.157) 19.193 12.463 ( -5.609 -0.238 -7.551) 9.409 12.640 ( 6.313 0.267 17.496) 18.603 13.464 ( 8.159 -3.249 1.353) 8.886 13.532 ( -7.386 -16.608 20.223) 27.191 13.718 ( 9.050 -6.662 9.903) 14.978 13.838 ( -12.787 -6.995 -3.944) 15.100 14.445 ( 2.172 -2.831 -1.671) 3.940 14.756 ( 20.544 18.821 -8.872) 29.240 14.978 ( 0.358 -0.443 -2.242) 2.313 15.598 ( 0.366 3.761 0.521) 3.814 15.660 ( -9.331 1.228 -2.863) 9.838 15.995 ( -10.713 -3.017 4.130) 11.871 16.653 ( -9.725 -7.525 -11.804) 17.045 17.388 ( -2.141 1.411 15.293) 15.507 17.632 ( 3.067 -1.695 6.325) 7.231 17.803 ( 5.040 10.178 -0.397) 11.364 18.205 ( -0.948 2.873 6.631) 7.288 18.978 ( -4.169 -3.005 3.350) 6.135 19.440 ( 0.500 -13.586 0.518) 13.605 19.735 ( 6.416 -0.788 -1.286) 6.591 20.411 ( 4.188 -12.797 -6.177) 14.814 21.415 ( -2.183 16.450 -0.438) 16.600 22.812 ( 0.395 -24.731 -10.049) 26.697 23.422 ( 10.774 19.045 1.515) 21.934 24.250 ( -13.436 -1.590 0.246) 13.532 ======================= Grid point 123 (99/175) ======================= q-point: (-0.22 -0.11 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.339 ( -10.068 22.786 0.222) 24.912 6.565 ( -9.951 -5.722 -6.682) 13.282 6.854 ( 6.984 -3.587 -12.674) 14.908 7.008 ( 5.732 -8.200 -9.748) 13.969 7.587 ( -15.903 8.591 12.541) 21.999 7.994 ( -1.937 10.738 18.243) 21.257 8.444 ( 8.447 -3.201 27.591) 29.032 8.866 ( 5.915 -21.470 19.878) 29.851 9.465 ( -13.797 6.319 -5.599) 16.175 9.813 ( 4.637 -3.404 -1.625) 5.978 10.816 ( 1.137 24.156 -17.326) 29.749 11.039 ( -8.715 -10.591 -19.637) 23.953 11.245 ( 5.914 7.298 -4.522) 10.425 11.521 ( -2.602 3.343 -5.633) 7.048 11.669 ( 14.444 -20.716 -15.523) 29.644 11.697 ( 8.705 6.042 -7.972) 13.260 12.234 ( -5.441 4.876 -2.821) 7.832 12.498 ( -0.796 4.978 1.997) 5.422 12.889 ( 7.968 12.981 16.584) 22.517 13.043 ( -9.994 -14.038 4.666) 17.853 13.205 ( -11.710 -4.010 18.316) 22.106 13.592 ( 12.934 -16.889 8.812) 23.026 14.083 ( 4.120 15.180 0.798) 15.749 14.322 ( 2.459 -10.784 -2.310) 11.299 14.994 ( -18.271 5.946 -5.057) 19.869 15.298 ( 3.050 -3.652 -4.811) 6.766 15.384 ( -13.516 2.517 -2.521) 13.978 15.754 ( 14.880 7.552 -2.803) 16.921 16.041 ( 0.965 3.552 0.038) 3.681 16.347 ( 6.740 -7.107 -11.939) 15.443 17.412 ( -1.702 4.953 9.454) 10.808 17.585 ( 3.086 -6.736 10.539) 12.883 18.051 ( -3.644 10.300 4.566) 11.842 18.222 ( -1.815 -3.140 6.478) 7.424 18.777 ( -14.754 5.166 -0.031) 15.632 19.249 ( 11.140 -12.451 3.594) 17.089 19.918 ( -1.547 9.930 -2.896) 10.459 20.173 ( -1.269 -14.635 -4.662) 15.412 21.777 ( -2.830 20.569 -3.715) 21.092 22.332 ( 7.021 -23.668 -7.961) 25.939 23.764 ( -14.958 6.536 3.319) 16.657 24.145 ( 16.236 -0.227 -1.493) 16.306 ======================= Grid point 124 (100/175) ======================= q-point: ( 0.11 -0.11 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.794 ( -35.670 -36.676 0.000) 51.161 5.141 ( -44.915 -16.278 -0.000) 47.774 7.024 ( -0.693 0.448 -0.000) 0.826 7.306 ( -6.133 11.955 -0.000) 13.437 7.837 ( -62.944 -27.018 -0.000) 68.498 8.216 ( 3.343 -22.086 0.000) 22.337 8.376 ( 4.321 -9.833 0.000) 10.740 8.788 ( 20.116 -9.300 0.000) 22.162 9.283 ( -4.392 6.978 -0.000) 8.245 9.656 ( -6.452 -18.896 0.000) 19.968 9.746 ( -0.097 10.595 -0.000) 10.595 10.549 ( -13.823 6.025 -0.000) 15.079 10.703 ( -17.701 19.670 -0.000) 26.462 11.256 ( -6.497 -2.436 -0.000) 6.938 11.473 ( -11.108 8.446 -0.000) 13.954 11.888 ( 12.999 -5.528 0.000) 14.125 12.156 ( -3.513 -7.927 0.000) 8.670 12.784 ( -6.066 -14.995 0.000) 16.176 13.158 ( -1.515 -32.398 0.000) 32.433 13.505 ( 19.271 3.038 0.000) 19.509 13.530 ( 15.961 0.851 0.000) 15.984 14.020 ( 13.729 14.051 -0.000) 19.645 14.122 ( -23.442 -12.549 -0.000) 26.589 14.167 ( 4.117 9.393 -0.000) 10.256 14.779 ( 3.074 24.733 -0.000) 24.923 15.024 ( -0.524 1.516 -0.000) 1.604 15.413 ( 14.195 1.518 0.000) 14.276 15.984 ( -4.069 11.079 -0.000) 11.802 16.302 ( 10.726 13.182 -0.000) 16.995 16.574 ( 7.900 -1.869 0.000) 8.118 17.458 ( -7.648 -11.901 0.000) 14.147 17.480 ( -3.672 -7.983 0.000) 8.787 17.771 ( 9.953 -3.730 0.000) 10.629 18.271 ( 10.827 -12.411 0.000) 16.470 19.159 ( 9.788 6.743 -0.000) 11.886 19.453 ( 6.407 -4.392 0.000) 7.768 20.133 ( -17.890 20.129 -0.000) 26.930 20.502 ( -8.409 18.567 -0.000) 20.383 21.324 ( -1.821 -1.927 0.000) 2.651 22.797 ( 2.404 16.121 -0.000) 16.299 23.160 ( -15.243 -17.894 0.000) 23.506 24.138 ( 12.807 -6.549 0.000) 14.385 ======================= Grid point 127 (101/175) ======================= q-point: (-0.22 -0.11 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.592 ( -27.287 -35.564 -3.564) 44.968 6.058 ( -30.546 -25.049 -23.066) 45.744 6.635 ( -11.222 17.606 3.986) 21.255 7.120 ( -7.854 5.475 4.167) 10.441 7.451 ( -17.481 4.599 18.209) 25.658 8.310 ( 11.954 -1.880 9.601) 15.447 8.530 ( 5.950 -22.098 13.813) 26.731 8.587 ( -3.074 8.665 -1.650) 9.341 9.254 ( -12.066 4.823 -1.435) 13.073 9.802 ( -22.530 -35.725 -28.923) 51.190 10.129 ( 13.818 3.149 6.351) 15.531 11.182 ( 14.425 -26.546 -10.864) 32.106 11.449 ( 4.541 13.303 -17.624) 22.543 11.546 ( -0.207 2.147 -7.608) 7.908 11.703 ( 6.138 1.246 -8.514) 10.570 12.271 ( -6.992 9.000 3.898) 12.045 12.353 ( 11.897 1.336 -7.235) 13.988 12.664 ( 0.408 -9.239 10.748) 14.179 12.722 ( 4.449 10.979 4.206) 12.570 12.815 ( -17.515 4.795 14.549) 23.269 13.372 ( 4.400 16.042 14.831) 22.286 13.734 ( 17.551 2.988 3.213) 18.091 14.167 ( 5.470 -13.569 0.293) 14.633 14.378 ( -1.353 1.380 -1.478) 2.433 14.551 ( -18.304 -4.578 -5.061) 19.535 14.855 ( -10.467 2.475 -2.339) 11.007 15.589 ( -0.061 2.049 -3.873) 4.382 15.679 ( -5.754 0.318 1.815) 6.042 16.392 ( 23.757 -0.838 3.723) 24.062 16.683 ( 11.069 10.454 -14.065) 20.728 17.451 ( 0.224 -0.504 4.812) 4.843 17.551 ( 0.901 -2.813 9.916) 10.347 17.961 ( -3.982 -7.296 3.024) 8.845 18.089 ( -7.629 3.434 10.534) 13.452 18.683 ( -13.772 12.019 8.661) 20.227 19.375 ( 9.522 0.946 -1.339) 9.662 19.800 ( -6.130 -12.813 -4.301) 14.841 20.038 ( -8.554 11.270 -7.187) 15.870 21.728 ( -3.202 -9.391 -1.801) 10.084 22.535 ( 13.872 10.278 -9.033) 19.485 23.390 ( -15.734 -7.674 1.499) 17.569 24.571 ( 19.636 2.735 0.792) 19.841 ======================= Grid point 128 (102/175) ======================= q-point: ( 0.11 -0.11 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( -42.124 -37.873 0.000) 56.646 3.826 ( -55.757 -15.386 -0.000) 57.841 5.853 ( -84.093 -18.521 -0.000) 86.109 6.982 ( -0.694 -1.993 0.000) 2.111 7.401 ( -10.114 9.672 -0.000) 13.994 7.804 ( -4.477 -16.865 0.000) 17.449 8.465 ( 9.116 4.847 0.000) 10.324 8.916 ( 15.635 -12.574 0.000) 20.064 9.282 ( -0.641 -6.621 0.000) 6.652 9.476 ( 4.972 2.311 0.000) 5.483 9.771 ( -8.093 3.570 -0.000) 8.846 10.499 ( -33.191 13.816 -0.000) 35.952 10.668 ( -7.153 21.639 -0.000) 22.790 11.003 ( -9.730 -7.184 0.000) 12.094 11.421 ( -9.347 6.718 -0.000) 11.511 11.678 ( -5.656 -22.507 0.000) 23.207 11.874 ( -11.244 -3.276 -0.000) 11.712 12.110 ( -19.310 -16.766 0.000) 25.573 12.455 ( -1.741 -35.104 0.000) 35.147 12.998 ( -30.075 -8.644 -0.000) 31.293 14.174 ( 30.722 3.667 0.000) 30.940 14.292 ( -6.913 9.144 -0.000) 11.463 14.408 ( -2.080 7.628 -0.000) 7.907 14.508 ( 36.542 7.178 0.000) 37.240 14.977 ( 6.471 -7.955 0.000) 10.255 15.076 ( 2.630 -1.661 0.000) 3.110 15.957 ( 17.821 22.817 -0.000) 28.952 16.461 ( 6.981 28.047 -0.000) 28.902 16.571 ( 13.820 -6.184 0.000) 15.140 16.776 ( 14.733 2.596 0.000) 14.960 17.244 ( 0.002 -9.228 0.000) 9.228 17.358 ( 5.335 -1.094 0.000) 5.446 17.879 ( 7.543 -3.788 0.000) 8.441 18.223 ( 4.963 -10.908 0.000) 11.984 19.391 ( 5.719 1.726 0.000) 5.974 19.450 ( 0.111 -2.902 0.000) 2.905 20.080 ( -22.263 14.349 -0.000) 26.486 20.744 ( -8.174 24.789 -0.000) 26.102 21.285 ( -0.518 -1.165 0.000) 1.275 22.577 ( -12.319 -12.315 0.000) 17.418 22.967 ( -8.706 7.339 -0.000) 11.386 24.234 ( 16.277 -13.536 0.000) 21.170 ======================= Grid point 129 (103/175) ======================= q-point: ( 0.11 -0.11 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 1.899 ( -49.104 -0.000 -0.000) 49.104 2.472 ( -62.115 -0.000 -0.000) 62.115 3.890 ( -94.883 -0.000 -0.000) 94.883 6.934 ( -2.081 -0.000 -0.000) 2.081 7.273 ( -16.524 -0.000 -0.000) 16.524 7.510 ( -2.668 -0.000 -0.000) 2.668 8.815 ( 14.091 0.000 0.000) 14.091 9.017 ( 11.243 0.000 0.000) 11.243 9.328 ( 9.667 0.000 0.000) 9.667 9.555 ( 1.064 0.000 0.000) 1.064 9.640 ( -9.192 -0.000 -0.000) 9.192 10.010 ( -29.622 -0.000 -0.000) 29.622 10.676 ( -13.051 -0.000 -0.000) 13.051 10.876 ( -11.458 -0.000 -0.000) 11.458 11.000 ( -10.008 -0.000 -0.000) 10.008 11.375 ( -10.272 -0.000 -0.000) 10.272 11.570 ( -14.623 -0.000 -0.000) 14.623 11.664 ( -7.124 -0.000 -0.000) 7.124 11.858 ( -17.874 -0.000 -0.000) 17.874 12.481 ( -10.751 -0.000 -0.000) 10.751 14.119 ( -16.282 -0.000 -0.000) 16.282 14.332 ( -9.086 -0.000 -0.000) 9.086 14.553 ( 5.893 0.000 0.000) 5.893 15.012 ( 6.243 0.000 0.000) 6.243 15.401 ( 31.906 0.000 0.000) 31.906 15.431 ( 43.363 0.000 0.000) 43.363 16.613 ( 15.346 0.000 0.000) 15.346 16.735 ( 11.692 0.000 0.000) 11.692 16.793 ( -3.426 -0.000 -0.000) 3.426 17.202 ( 24.945 0.000 0.000) 24.945 17.397 ( 16.471 0.000 0.000) 16.471 17.429 ( 2.171 0.000 0.000) 2.171 17.933 ( 3.080 0.000 0.000) 3.080 18.024 ( -8.878 -0.000 -0.000) 8.878 19.327 ( -10.927 -0.000 -0.000) 10.927 19.489 ( 3.408 0.000 0.000) 3.408 19.806 ( -18.697 -0.000 -0.000) 18.697 21.047 ( 0.916 0.000 0.000) 0.916 21.249 ( -0.952 -0.000 -0.000) 0.952 22.256 ( -8.057 -0.000 -0.000) 8.057 22.807 ( -11.880 -0.000 -0.000) 11.880 24.272 ( 9.103 0.000 0.000) 9.103 ======================= Grid point 130 (104/175) ======================= q-point: ( 0.44 -0.11 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.258 ( -27.703 41.990 10.746) 51.440 4.853 ( -38.037 27.499 30.952) 56.223 6.704 ( -9.804 -8.623 -4.884) 13.940 7.017 ( -13.268 -4.461 -1.706) 14.101 7.218 ( -16.444 -12.689 -18.169) 27.596 7.603 ( -24.090 47.446 34.396) 63.361 8.314 ( -1.695 3.455 -0.759) 3.922 8.674 ( 3.938 -1.644 -6.186) 7.515 9.231 ( 7.632 3.518 0.641) 8.428 9.338 ( 1.618 2.038 12.360) 12.631 10.134 ( 6.023 20.235 -5.545) 21.829 11.223 ( 21.110 10.685 4.253) 24.040 11.357 ( -4.325 17.316 25.874) 31.433 11.541 ( -7.699 -0.621 17.041) 18.709 11.804 ( 7.442 5.653 15.393) 18.008 11.974 ( -22.109 7.057 -8.429) 24.692 12.139 ( -3.574 16.076 2.367) 16.638 12.403 ( -6.900 6.033 3.865) 9.947 12.988 ( -5.800 -5.465 -5.771) 9.840 13.157 ( -0.027 -23.303 -16.119) 28.334 13.622 ( -6.794 -6.819 -0.143) 9.627 13.833 ( 3.047 0.262 -12.120) 12.500 14.108 ( 14.720 -0.698 -2.555) 14.956 14.280 ( 6.571 3.967 -2.424) 8.049 14.427 ( -6.668 -6.659 -3.977) 10.229 15.260 ( 12.103 -18.971 -3.065) 22.710 15.394 ( -6.116 0.431 -8.058) 10.126 15.905 ( 8.021 -11.735 6.099) 15.468 16.774 ( 18.395 2.153 -6.625) 19.670 17.043 ( 7.293 -8.630 9.358) 14.671 17.395 ( 2.746 7.898 -6.266) 10.449 17.494 ( -0.781 -1.800 0.880) 2.150 17.847 ( 3.973 7.785 -15.287) 17.609 18.069 ( -5.657 -8.746 -5.263) 11.670 18.617 ( -14.997 -9.241 -10.637) 20.578 19.278 ( -13.610 7.102 -4.830) 16.094 19.758 ( 5.638 -8.363 11.227) 15.092 20.054 ( -12.543 -12.744 13.699) 22.526 21.517 ( 1.590 11.221 -1.193) 11.396 22.831 ( -1.401 5.640 4.561) 7.388 22.993 ( -4.263 1.073 6.893) 8.175 25.008 ( 20.120 -2.431 -3.720) 20.604 ======================= Grid point 135 (105/175) ======================= q-point: ( 0.31 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( 0.000 45.465 14.901) 47.845 4.806 ( -0.000 57.059 -8.548) 57.696 6.333 ( -0.000 -9.031 -10.054) 13.515 6.780 ( -0.000 -4.773 -15.089) 15.826 7.109 ( -0.000 -5.484 -27.398) 27.941 7.804 ( 0.000 68.266 21.454) 71.558 8.088 ( 0.000 1.256 1.545) 1.991 8.778 ( -0.000 1.253 -2.626) 2.910 9.519 ( 0.000 8.013 25.352) 26.588 9.632 ( 0.000 -6.566 17.215) 18.425 9.820 ( 0.000 1.498 5.765) 5.956 11.364 ( -0.000 1.974 -0.546) 2.048 11.551 ( 0.000 6.013 11.522) 12.996 11.725 ( -0.000 28.830 -10.070) 30.539 11.940 ( -0.000 17.343 -4.986) 18.045 12.223 ( -0.000 22.488 5.342) 23.114 12.315 ( -0.000 -1.019 -0.369) 1.083 12.396 ( 0.000 23.513 8.279) 24.928 12.569 ( 0.000 11.149 12.348) 16.636 13.030 ( -0.000 -39.559 -24.074) 46.309 13.181 ( -0.000 -4.345 -9.343) 10.304 13.537 ( 0.000 -11.119 1.838) 11.270 13.941 ( 0.000 -29.554 5.467) 30.056 14.381 ( -0.000 -0.533 -0.732) 0.906 15.076 ( 0.000 -6.618 7.580) 10.062 15.106 ( -0.000 -11.889 -11.665) 16.656 15.565 ( -0.000 7.897 -14.551) 16.556 15.906 ( 0.000 -9.531 2.576) 9.873 16.549 ( 0.000 -26.676 3.368) 26.888 17.424 ( -0.000 -7.575 -5.933) 9.622 17.497 ( 0.000 3.730 4.056) 5.510 17.600 ( -0.000 -0.307 -10.021) 10.026 18.052 ( 0.000 0.458 2.377) 2.421 18.216 ( -0.000 -0.137 -1.722) 1.727 18.386 ( -0.000 0.100 -1.061) 1.066 18.555 ( 0.000 -6.021 -0.219) 6.025 19.442 ( 0.000 4.976 5.404) 7.346 19.796 ( 0.000 9.156 4.234) 10.088 21.729 ( -0.000 2.940 -4.397) 5.289 22.813 ( 0.000 0.616 10.307) 10.325 23.007 ( -0.000 15.723 -1.341) 15.780 25.353 ( 0.000 -13.525 -0.549) 13.536 ======================= Grid point 136 (106/175) ======================= q-point: (-0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( -0.000 -17.415 -46.073) 49.254 4.135 ( -0.000 -16.340 -54.189) 56.599 6.419 ( 0.000 9.590 2.807) 9.992 6.981 ( -0.000 26.327 -2.980) 26.495 7.007 ( -0.000 -42.029 -50.858) 65.977 7.305 ( -0.000 13.089 -15.147) 20.019 8.526 ( 0.000 -10.215 -1.076) 10.272 8.540 ( -0.000 14.014 -0.459) 14.021 9.225 ( 0.000 -1.818 3.268) 3.740 9.746 ( 0.000 -14.013 4.112) 14.604 10.009 ( -0.000 -19.142 -21.672) 28.915 10.869 ( 0.000 -26.782 5.183) 27.279 11.089 ( 0.000 -24.552 11.403) 27.071 11.165 ( -0.000 -21.959 -16.261) 27.325 11.298 ( -0.000 -0.985 -1.526) 1.817 12.123 ( -0.000 7.885 -11.057) 13.581 12.346 ( -0.000 -11.096 -18.980) 21.986 12.520 ( -0.000 0.729 -23.972) 23.983 12.984 ( -0.000 -9.830 -21.507) 23.647 13.243 ( 0.000 24.319 24.472) 34.500 13.599 ( 0.000 6.086 3.248) 6.899 13.841 ( 0.000 13.303 4.514) 14.048 14.220 ( -0.000 4.847 -1.173) 4.987 14.468 ( 0.000 3.788 5.018) 6.287 14.735 ( 0.000 0.342 1.247) 1.293 15.071 ( 0.000 11.542 2.989) 11.922 15.287 ( 0.000 6.189 24.919) 25.676 16.385 ( 0.000 12.880 7.494) 14.901 16.544 ( 0.000 -11.999 39.101) 40.901 17.278 ( -0.000 -1.160 -7.717) 7.803 17.450 ( 0.000 -5.680 0.548) 5.706 17.560 ( 0.000 3.765 7.696) 8.568 17.869 ( -0.000 6.661 -4.900) 8.269 18.091 ( -0.000 -0.564 -0.542) 0.782 18.229 ( 0.000 -4.086 9.031) 9.913 18.700 ( -0.000 9.270 -5.845) 10.958 20.010 ( -0.000 6.942 -5.980) 9.162 20.565 ( -0.000 22.488 -12.992) 25.971 21.266 ( 0.000 -10.859 2.846) 11.226 22.541 ( 0.000 -16.064 -3.381) 16.416 23.186 ( -0.000 -2.897 -10.372) 10.769 25.336 ( 0.000 3.102 15.295) 15.606 ======================= Grid point 139 (107/175) ======================= q-point: ( 0.31 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.022 ( 25.016 39.361 9.163) 47.529 5.917 ( 5.259 48.618 -15.058) 51.168 6.348 ( 17.805 -7.945 -17.239) 26.025 6.618 ( -5.565 -3.075 -20.869) 21.816 7.178 ( 18.662 -4.908 -22.916) 29.958 8.146 ( -5.148 3.388 -0.301) 6.170 8.760 ( 1.577 9.177 9.212) 13.099 9.045 ( -7.761 17.743 9.929) 21.763 9.228 ( -0.733 8.102 7.184) 10.854 9.845 ( 6.794 -4.218 28.197) 29.309 9.922 ( 1.511 20.093 4.309) 20.605 11.360 ( -11.966 -4.949 6.386) 14.438 11.476 ( 7.026 -1.597 2.467) 7.616 11.828 ( -12.875 -5.761 -15.582) 21.018 12.003 ( 5.604 -22.400 -2.977) 23.282 12.031 ( 0.762 -19.430 -19.580) 27.595 12.454 ( -11.128 11.368 1.948) 16.027 12.615 ( -16.512 14.397 4.087) 22.285 12.682 ( 13.244 14.082 -12.945) 23.265 13.135 ( 2.844 3.762 -2.214) 5.211 13.233 ( -10.075 -13.176 7.759) 18.311 13.444 ( 16.821 18.807 14.738) 29.220 13.590 ( 12.783 -15.109 10.643) 22.471 14.455 ( 4.503 4.445 -5.051) 8.096 14.838 ( -5.846 -8.204 5.986) 11.718 14.873 ( -7.257 -1.063 -5.366) 9.088 15.540 ( -9.406 -6.697 -0.824) 11.576 15.759 ( -0.244 3.466 -11.911) 12.408 16.228 ( 9.489 -17.005 6.522) 20.537 17.259 ( -3.446 -5.884 -0.000) 6.819 17.391 ( -6.145 -0.925 -1.981) 6.522 17.727 ( 4.543 2.768 -4.129) 6.735 17.936 ( -10.567 -0.516 1.686) 10.713 18.160 ( -1.290 -1.315 0.976) 2.085 18.342 ( 4.236 -2.072 -12.352) 13.222 18.753 ( 19.464 -8.699 6.305) 22.232 19.685 ( 8.004 12.466 4.250) 15.412 20.018 ( -3.297 17.276 0.211) 17.589 21.729 ( 1.264 -3.403 -6.971) 7.860 22.682 ( -7.061 -6.486 15.098) 17.885 23.348 ( 1.697 16.121 -7.427) 17.830 24.992 ( -8.648 -13.561 3.503) 16.461 ======================= Grid point 140 (108/175) ======================= q-point: (-0.36 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( 4.575 -3.867 -55.006) 55.332 4.161 ( 18.504 -17.222 -50.731) 56.680 6.334 ( 18.784 -25.307 -60.274) 68.016 6.759 ( 18.256 2.845 -12.239) 22.163 7.353 ( -7.507 10.080 -10.531) 16.397 7.643 ( 1.133 4.594 -3.046) 5.627 8.281 ( -4.907 -1.967 4.242) 6.778 8.751 ( -3.905 18.230 4.236) 19.118 9.353 ( -7.759 -1.453 -10.026) 12.761 9.404 ( -4.334 -11.468 1.464) 12.347 9.643 ( -0.397 -3.360 -8.071) 8.752 10.525 ( 14.220 -11.013 -3.775) 18.377 10.688 ( 3.951 -15.643 6.839) 17.524 11.075 ( 29.677 -22.998 -11.225) 39.187 11.434 ( 13.618 -0.675 -0.021) 13.635 12.029 ( -8.428 -4.032 -20.712) 22.722 12.324 ( -1.397 3.825 -7.655) 8.671 12.558 ( 0.744 4.724 -33.643) 33.981 12.816 ( -0.424 -5.791 -16.575) 17.563 13.112 ( -11.288 -11.234 -9.011) 18.298 13.756 ( -0.766 -3.075 16.513) 16.815 14.053 ( -6.095 12.430 4.009) 14.412 14.365 ( -6.104 -0.799 1.361) 6.305 14.521 ( -7.485 21.653 16.282) 28.107 14.717 ( 0.056 6.742 -2.068) 7.052 15.318 ( -0.917 9.446 3.527) 10.124 15.522 ( 5.816 6.006 31.950) 33.026 16.158 ( -1.919 -21.633 30.667) 37.578 16.530 ( -6.148 7.237 9.137) 13.178 17.006 ( -9.537 -8.045 3.724) 13.020 17.418 ( 1.705 -0.477 -4.203) 4.561 17.737 ( 2.043 8.170 3.799) 9.239 17.849 ( -9.548 2.866 -6.411) 11.852 18.177 ( 9.860 0.194 2.893) 10.278 18.314 ( 1.105 3.090 6.935) 7.673 18.821 ( 2.043 2.477 1.037) 3.374 20.242 ( 13.512 1.540 -7.936) 15.746 21.006 ( -1.747 23.222 -9.966) 25.331 21.104 ( -0.358 -4.621 2.854) 5.443 22.210 ( 0.613 -17.969 -5.366) 18.764 23.150 ( 4.324 -3.488 -8.378) 10.053 25.268 ( -12.036 2.422 13.979) 18.605 ======================= Grid point 141 (109/175) ======================= q-point: (-0.36 -0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( 18.971 0.000 -51.860) 55.222 4.144 ( 13.807 0.000 -47.703) 49.661 6.603 ( 13.079 0.000 -16.394) 20.972 7.191 ( -10.945 0.000 -6.579) 12.770 7.294 ( 37.686 0.000 -49.404) 62.137 7.357 ( -23.410 -0.000 1.432) 23.454 8.273 ( 4.215 -0.000 2.378) 4.840 8.986 ( -6.269 -0.000 1.235) 6.389 9.233 ( 8.437 0.000 1.086) 8.506 9.365 ( 9.460 -0.000 8.089) 12.447 9.564 ( 3.602 0.000 -8.539) 9.268 10.555 ( 4.067 -0.000 2.847) 4.965 11.117 ( 24.424 0.000 -16.811) 29.650 11.361 ( 31.891 0.000 -6.941) 32.637 11.747 ( 15.618 0.000 1.958) 15.740 11.835 ( -4.150 0.000 -18.173) 18.641 12.332 ( -1.860 0.000 -13.104) 13.235 12.533 ( -17.141 0.000 -5.761) 18.083 12.700 ( 6.919 0.000 -14.885) 16.415 12.942 ( -0.056 0.000 -11.639) 11.639 13.265 ( -31.149 -0.000 20.553) 37.319 14.132 ( 0.957 -0.000 1.897) 2.125 14.352 ( 3.397 0.000 -11.754) 12.235 14.684 ( -1.803 0.000 -6.061) 6.323 14.699 ( -10.951 -0.000 17.556) 20.692 15.277 ( -12.051 -0.000 19.536) 22.954 15.671 ( -0.363 -0.000 10.750) 10.756 15.888 ( 3.177 -0.000 24.561) 24.766 16.440 ( -8.808 -0.000 5.799) 10.545 16.824 ( -2.175 -0.000 13.695) 13.867 17.381 ( -7.283 0.000 -6.020) 9.449 17.534 ( -18.964 0.000 -12.716) 22.833 17.934 ( 4.971 -0.000 3.154) 5.887 18.248 ( -6.451 -0.000 4.186) 7.690 18.470 ( 16.866 -0.000 9.952) 19.583 18.985 ( 11.499 -0.000 7.687) 13.831 20.515 ( 11.859 0.000 -8.584) 14.640 21.069 ( 0.266 -0.000 2.275) 2.291 21.281 ( -1.495 0.000 -3.682) 3.974 21.946 ( -1.574 0.000 -11.153) 11.263 23.274 ( 11.274 0.000 -3.533) 11.814 24.993 ( -17.578 -0.000 8.057) 19.337 ======================= Grid point 143 (110/175) ======================= q-point: ( 0.31 -0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.098 ( 18.054 9.295 -21.025) 29.230 6.375 ( 6.502 3.533 -15.853) 17.495 6.712 ( 18.183 4.473 -12.874) 22.724 6.952 ( 0.813 31.417 -3.474) 31.618 7.518 ( 18.660 -2.199 -12.187) 22.395 7.929 ( -13.028 -2.349 4.864) 14.104 8.385 ( -7.355 -16.146 4.758) 18.369 9.139 ( 3.501 -11.089 15.063) 19.029 9.545 ( 4.403 12.658 -12.502) 18.328 9.756 ( -4.275 -0.822 4.712) 6.415 10.634 ( 5.798 27.605 4.060) 28.499 10.912 ( -8.509 -13.979 -8.121) 18.270 11.292 ( 1.040 -13.840 -23.900) 27.638 11.595 ( -4.713 -3.836 1.539) 6.269 11.721 ( 9.283 -20.805 -2.068) 22.876 12.144 ( 18.392 4.938 2.476) 19.204 12.303 ( -24.813 0.042 5.565) 25.429 12.396 ( -11.315 4.045 17.259) 21.030 12.602 ( -25.163 -1.690 13.652) 28.678 12.854 ( -1.538 -7.769 8.904) 11.916 13.409 ( 10.107 7.951 -13.842) 18.894 13.668 ( 16.619 -7.419 7.660) 19.746 14.100 ( 6.429 14.547 5.270) 16.755 14.420 ( -2.523 -1.794 -5.037) 5.912 14.778 ( -5.588 5.268 -0.841) 7.726 14.968 ( 7.471 4.397 -7.792) 11.656 15.353 ( 0.543 3.415 10.991) 11.522 15.737 ( -2.133 -7.350 -11.773) 14.042 16.161 ( 2.838 -0.933 1.897) 3.539 16.954 ( -19.761 -0.648 0.022) 19.772 17.344 ( 5.773 -6.773 -0.835) 8.938 17.720 ( -3.825 -4.290 5.147) 7.715 17.843 ( 1.802 1.301 -6.056) 6.451 18.138 ( 1.548 -3.243 0.390) 3.614 18.424 ( 5.801 1.689 -9.121) 10.941 18.907 ( 16.693 -10.515 6.641) 20.816 20.164 ( 6.975 18.135 0.215) 19.431 20.332 ( -3.726 21.875 -0.096) 22.191 21.635 ( -0.112 -9.216 -11.702) 14.896 22.416 ( -2.313 -5.161 20.227) 21.003 23.632 ( 0.139 9.061 -12.773) 15.662 24.529 ( -12.769 -11.033 9.193) 19.217 ======================= Grid point 144 (111/175) ======================= q-point: (-0.69 -0.14 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.969 ( -14.014 -12.727 -23.456) 30.142 6.627 ( -11.944 -8.093 -11.107) 18.207 6.690 ( -8.516 -4.747 -1.669) 9.891 7.069 ( 2.025 -9.596 -21.052) 23.224 7.681 ( 3.091 -0.560 -21.708) 21.934 8.135 ( 8.518 21.359 8.681) 24.579 8.408 ( 16.587 2.575 18.362) 24.878 8.871 ( 5.357 -14.430 20.415) 25.568 9.546 ( -4.790 4.777 -8.488) 10.854 9.789 ( -6.322 -7.662 -12.298) 15.809 10.678 ( -13.541 4.358 1.059) 14.265 10.770 ( -8.124 -20.313 -20.264) 29.821 11.191 ( 7.355 -2.882 0.445) 7.912 11.386 ( -9.681 -5.607 8.550) 14.080 11.598 ( 4.487 3.766 8.474) 10.302 11.787 ( 10.062 -2.083 -8.028) 13.040 12.210 ( -19.523 9.380 7.305) 22.858 12.379 ( -8.508 11.481 9.531) 17.177 12.757 ( 6.621 -7.454 2.070) 10.183 13.017 ( 20.211 11.750 6.030) 24.144 13.372 ( 1.757 -8.192 0.821) 8.418 13.834 ( 10.654 -13.249 19.154) 25.611 14.129 ( -5.299 3.449 -13.883) 15.255 14.637 ( 4.761 4.044 -7.744) 9.950 14.844 ( -5.756 17.464 -5.879) 19.305 14.981 ( 5.977 -6.820 14.279) 16.915 15.328 ( -15.434 -5.323 0.004) 16.326 15.745 ( 6.906 6.128 -17.353) 19.656 16.224 ( 2.363 1.955 0.219) 3.075 16.614 ( -17.578 6.454 -3.037) 18.970 17.310 ( 6.152 -6.039 1.390) 8.732 17.562 ( -0.685 -9.467 1.778) 9.656 17.896 ( 4.382 -0.696 0.669) 4.487 17.986 ( -5.410 -10.401 5.274) 12.856 18.683 ( 10.522 7.085 -6.426) 14.220 19.041 ( 15.531 -7.824 5.831) 18.342 20.575 ( -4.173 21.587 -4.042) 22.355 20.665 ( -2.814 16.797 0.919) 17.056 21.385 ( -4.476 -7.742 -11.679) 14.709 22.529 ( 15.602 0.100 17.227) 23.242 23.564 ( -8.406 -9.340 -12.386) 17.644 24.195 ( -9.362 1.648 11.174) 14.670 ======================= Grid point 148 (112/175) ======================= q-point: ( 0.31 -0.14 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.060 ( -38.064 -20.535 4.627) 43.496 5.761 ( -45.587 -5.563 -11.461) 47.334 6.728 ( 5.607 -3.970 -18.848) 20.061 6.958 ( 11.567 -7.773 -33.116) 35.929 7.564 ( -4.682 -7.528 -19.104) 21.061 8.585 ( 10.405 5.548 23.207) 26.031 8.620 ( -0.175 0.083 15.545) 15.546 8.875 ( -19.961 2.750 16.082) 25.780 9.394 ( -11.176 -3.386 -11.125) 16.129 9.523 ( -30.511 -9.796 11.059) 33.900 9.790 ( 11.287 1.583 2.447) 11.657 10.911 ( 3.153 -3.446 -2.110) 5.125 11.245 ( 5.233 -5.774 20.076) 21.536 11.383 ( 1.616 16.363 -10.019) 19.254 11.768 ( 4.143 0.598 10.017) 10.856 12.003 ( -18.697 9.333 -2.736) 21.075 12.182 ( 19.155 1.613 -19.559) 27.424 12.354 ( -12.721 0.868 -0.951) 12.786 12.659 ( -5.638 -25.657 2.791) 26.417 12.823 ( -1.429 4.179 -3.789) 5.819 13.692 ( 10.064 -15.572 4.643) 19.114 13.930 ( 4.993 6.354 10.197) 13.011 14.078 ( 12.188 3.098 5.354) 13.668 14.640 ( -15.164 8.325 0.477) 17.306 14.892 ( 1.454 -4.413 -3.452) 5.788 15.030 ( -2.920 -3.203 1.970) 4.761 15.299 ( 11.545 15.486 1.992) 19.418 15.855 ( 5.071 3.358 -30.543) 31.142 16.427 ( 2.726 -2.942 0.545) 4.048 16.445 ( -7.808 9.436 -7.747) 14.492 17.274 ( -1.065 -9.928 -0.162) 9.987 17.441 ( 6.751 -2.090 6.284) 9.457 17.608 ( -5.108 -11.089 10.255) 15.944 18.006 ( 6.267 0.236 4.907) 7.963 19.004 ( 9.716 3.636 -6.487) 12.235 19.211 ( 12.255 -3.491 4.568) 13.537 20.798 ( -13.153 15.330 -3.497) 20.500 20.878 ( -0.395 11.281 0.277) 11.291 21.268 ( -1.667 1.853 -7.998) 8.377 22.671 ( 2.602 -15.657 -9.312) 18.402 23.306 ( 1.883 2.417 15.078) 15.386 24.096 ( -6.400 1.227 5.645) 8.621 ======================= Grid point 150 (113/175) ======================= q-point: ( 0.64 -0.14 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.714 ( -24.749 27.663 9.482) 38.310 6.510 ( 4.495 27.128 12.909) 30.378 6.575 ( -3.134 20.827 1.597) 21.122 6.984 ( 12.594 10.718 -8.780) 18.724 7.396 ( -5.914 9.241 -5.461) 12.255 8.050 ( -7.564 -15.863 -5.502) 18.416 8.327 ( 5.101 -22.615 9.630) 25.104 9.049 ( -1.247 -23.050 4.459) 23.511 9.532 ( -4.786 -1.588 -5.070) 7.151 9.859 ( -6.753 9.551 -2.535) 11.969 10.407 ( -23.963 29.087 27.858) 46.865 10.591 ( 4.643 6.676 -1.167) 8.215 11.451 ( 22.305 6.224 -17.852) 29.240 11.603 ( 0.897 -0.918 1.535) 2.001 11.897 ( 0.864 21.935 -3.409) 22.215 11.957 ( 7.764 -0.442 -5.645) 9.610 12.269 ( -4.321 -10.592 -0.219) 11.442 12.430 ( 4.006 0.343 5.297) 6.650 12.820 ( -0.193 -4.502 10.824) 11.725 13.080 ( 3.327 -22.705 -13.551) 26.650 13.461 ( -16.751 -24.365 -3.954) 29.831 13.608 ( 2.052 17.812 4.229) 18.422 13.899 ( 12.466 -13.032 2.516) 18.209 14.469 ( -0.406 -2.840 2.073) 3.540 14.830 ( -9.137 16.202 -2.531) 18.772 15.119 ( -15.071 6.043 12.292) 20.366 15.428 ( 9.743 11.705 -10.046) 18.244 15.751 ( 0.824 -5.860 -3.608) 6.931 15.964 ( 11.636 0.084 3.441) 12.134 16.861 ( 3.294 -10.159 -9.278) 14.147 17.091 ( 1.801 7.318 4.093) 8.576 17.555 ( -0.902 -2.532 1.325) 2.997 17.818 ( -3.720 6.274 1.107) 7.378 18.141 ( -0.222 1.641 -0.371) 1.697 18.883 ( -7.137 -4.176 -5.293) 9.818 19.444 ( 1.054 -9.878 0.509) 9.947 19.792 ( 1.222 -2.669 3.718) 4.737 20.489 ( -1.756 -12.926 1.019) 13.084 21.416 ( 1.578 18.540 -0.444) 18.612 22.928 ( -0.460 -25.606 0.218) 25.611 23.423 ( -7.447 19.644 1.922) 21.096 24.228 ( 10.525 -2.356 -1.875) 10.947 ======================= Grid point 152 (114/175) ======================= q-point: ( 0.31 -0.14 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( -44.876 -0.000 13.456) 46.850 4.701 ( -54.102 -0.000 -8.186) 54.717 6.811 ( 6.419 0.000 -9.229) 11.242 7.123 ( 8.723 0.000 -33.278) 34.402 7.414 ( 0.090 0.000 -17.258) 17.258 7.687 ( -72.837 -0.000 29.053) 78.418 8.619 ( 0.817 -0.000 11.640) 11.669 8.775 ( 2.944 -0.000 10.002) 10.427 9.270 ( -2.927 -0.000 11.588) 11.952 9.324 ( 1.825 0.000 -3.127) 3.621 9.965 ( 0.642 -0.000 4.045) 4.095 10.924 ( -1.467 0.000 -7.267) 7.413 11.342 ( 2.104 -0.000 19.774) 19.886 11.474 ( -18.875 -0.000 6.950) 20.114 11.613 ( -10.621 -0.000 13.647) 17.293 11.831 ( -13.325 -0.000 2.868) 13.630 11.952 ( -18.236 0.000 -9.981) 20.788 12.124 ( -4.618 -0.000 4.366) 6.355 12.552 ( -8.980 -0.000 11.880) 14.892 12.948 ( 31.677 0.000 -30.660) 44.085 13.458 ( -18.075 -0.000 0.356) 18.079 14.140 ( 17.445 -0.000 9.268) 19.754 14.427 ( 8.469 0.000 -5.790) 10.259 14.635 ( 1.505 0.000 -2.068) 2.557 14.752 ( -5.116 0.000 -1.365) 5.295 14.994 ( 2.130 -0.000 3.089) 3.753 15.880 ( 24.846 0.000 1.230) 24.876 16.116 ( 12.442 0.000 -20.475) 23.959 16.352 ( 2.175 0.000 -8.956) 9.216 16.461 ( -1.033 0.000 -11.574) 11.620 17.114 ( -0.974 -0.000 6.259) 6.334 17.553 ( 8.761 -0.000 21.777) 23.473 17.570 ( 6.002 0.000 -8.745) 10.607 18.104 ( 3.225 -0.000 3.766) 4.958 19.199 ( 7.048 0.000 -6.287) 9.444 19.346 ( 4.421 0.000 -0.012) 4.421 20.662 ( -15.847 -0.000 -0.217) 15.849 21.019 ( 1.230 -0.000 1.573) 1.996 21.291 ( -1.890 0.000 -1.612) 2.484 22.336 ( -9.436 0.000 -21.155) 23.164 23.425 ( -3.772 -0.000 17.937) 18.330 24.059 ( 6.527 -0.000 9.474) 11.505 ======================= Grid point 154 (115/175) ======================= q-point: ( 0.64 -0.14 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.738 ( -26.788 27.927 10.313) 40.048 6.472 ( -20.814 -12.946 2.227) 24.612 6.621 ( -22.519 11.996 15.382) 29.793 6.917 ( -19.844 -16.910 -13.603) 29.407 7.213 ( -16.177 1.072 -2.607) 16.421 8.218 ( 20.253 10.411 -7.714) 24.043 8.309 ( 9.879 8.076 1.661) 12.868 8.741 ( 9.981 -18.948 12.449) 24.771 9.286 ( -7.569 -1.881 -0.938) 7.855 9.959 ( 5.286 5.523 -5.050) 9.162 10.461 ( -18.308 30.153 29.404) 45.924 11.148 ( -0.307 -3.091 -14.261) 14.595 11.380 ( 6.942 3.000 -11.912) 14.109 11.662 ( 3.082 -0.442 1.228) 3.347 11.921 ( 6.895 -15.020 4.273) 17.071 12.284 ( -3.511 0.354 -1.075) 3.689 12.478 ( 6.342 12.053 -6.944) 15.288 12.585 ( 1.859 4.442 4.456) 6.560 12.609 ( -8.166 -9.328 2.663) 12.680 12.697 ( 3.251 -1.654 5.283) 6.420 13.060 ( 7.278 -10.806 -11.752) 17.546 13.712 ( 15.349 -6.430 2.325) 16.803 14.180 ( 7.113 12.668 1.344) 14.590 14.406 ( 1.940 -5.330 1.547) 5.879 14.656 ( -19.836 3.457 -0.349) 20.138 14.849 ( -18.050 -4.651 2.930) 18.868 15.592 ( -10.037 5.896 -0.458) 11.650 15.682 ( 1.811 -4.184 -2.793) 5.347 16.345 ( 21.895 0.655 0.506) 21.910 16.887 ( 13.070 -3.437 -6.877) 15.163 17.298 ( 3.355 7.666 1.466) 8.496 17.444 ( 1.595 -5.831 2.137) 6.412 17.892 ( -7.502 9.193 -2.070) 12.045 18.034 ( -6.822 -5.088 3.012) 9.028 18.545 ( -13.237 -4.736 -4.608) 14.795 19.398 ( 6.870 -2.573 0.756) 7.375 19.864 ( -4.702 9.551 1.576) 10.761 20.134 ( -6.570 -14.346 1.764) 15.877 21.742 ( -4.415 10.547 -0.641) 11.452 22.643 ( 14.502 -11.075 0.576) 18.256 23.388 ( -15.818 4.453 1.686) 16.519 24.543 ( 19.168 0.414 -1.815) 19.258 ======================= Grid point 162 (116/175) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -0.000 49.172 -0.000) 49.172 3.743 ( -0.000 62.614 -0.000) 62.614 5.731 ( -0.000 88.310 -0.000) 88.310 6.574 ( 0.000 -6.973 0.000) 6.973 7.003 ( -0.000 0.975 -0.000) 0.975 7.756 ( -0.000 1.807 -0.000) 1.807 8.121 ( 0.000 -10.188 0.000) 10.188 8.801 ( 0.000 -8.718 0.000) 8.718 9.163 ( -0.000 2.317 -0.000) 2.317 9.437 ( 0.000 -2.129 0.000) 2.129 9.815 ( -0.000 4.902 -0.000) 4.902 10.977 ( -0.000 44.965 -0.000) 44.965 11.289 ( -0.000 8.251 -0.000) 8.251 11.348 ( -0.000 3.513 -0.000) 3.513 11.647 ( -0.000 19.965 -0.000) 19.965 11.698 ( -0.000 27.349 -0.000) 27.349 11.797 ( -0.000 17.346 -0.000) 17.346 12.008 ( -0.000 15.874 -0.000) 15.874 12.128 ( -0.000 22.422 -0.000) 22.422 13.371 ( 0.000 -8.702 0.000) 8.702 13.700 ( 0.000 -5.764 0.000) 5.764 14.391 ( 0.000 -1.439 0.000) 1.439 14.408 ( 0.000 -42.768 0.000) 42.768 14.469 ( 0.000 -32.446 0.000) 32.446 15.084 ( 0.000 -9.176 0.000) 9.176 15.550 ( -0.000 6.379 -0.000) 6.379 15.740 ( 0.000 -27.072 0.000) 27.072 16.027 ( 0.000 -10.925 0.000) 10.925 17.024 ( 0.000 -22.693 0.000) 22.693 17.335 ( -0.000 6.871 -0.000) 6.871 17.668 ( 0.000 -8.826 0.000) 8.826 17.747 ( -0.000 4.108 -0.000) 4.108 18.029 ( 0.000 -0.255 0.000) 0.255 18.143 ( 0.000 -4.845 0.000) 4.845 18.413 ( 0.000 -1.827 0.000) 1.827 18.648 ( -0.000 5.023 -0.000) 5.023 19.314 ( -0.000 0.348 -0.000) 0.348 19.592 ( -0.000 4.339 -0.000) 4.339 21.649 ( -0.000 9.179 -0.000) 9.179 22.666 ( -0.000 1.910 -0.000) 1.910 22.696 ( -0.000 16.797 -0.000) 16.797 25.624 ( 0.000 -12.251 0.000) 12.251 ======================= Grid point 163 (117/175) ======================= q-point: (-0.50 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.110 ( -0.000 -10.654 -28.774) 30.683 5.510 ( -0.000 -10.989 -50.571) 51.752 5.962 ( -0.000 27.032 3.017) 27.200 6.652 ( -0.000 13.074 -7.513) 15.079 6.718 ( -0.000 36.207 -9.516) 37.436 8.325 ( -0.000 11.043 -2.312) 11.282 8.746 ( -0.000 5.178 -11.047) 12.201 8.913 ( -0.000 -28.075 -16.580) 32.606 9.506 ( 0.000 -30.153 8.221) 31.254 10.046 ( -0.000 -21.061 -20.305) 29.255 10.365 ( 0.000 0.542 18.989) 18.997 11.261 ( 0.000 22.307 21.344) 30.873 11.330 ( 0.000 -24.786 2.149) 24.879 11.369 ( -0.000 -11.417 -6.568) 13.171 11.550 ( -0.000 -26.248 -7.296) 27.243 12.007 ( 0.000 9.626 18.661) 20.997 12.194 ( -0.000 16.647 -15.727) 22.901 12.809 ( -0.000 -3.697 -9.351) 10.056 12.989 ( -0.000 5.701 -17.429) 18.338 13.315 ( 0.000 -4.510 5.204) 6.886 13.317 ( -0.000 14.364 3.065) 14.687 13.476 ( 0.000 2.808 9.209) 9.628 14.085 ( 0.000 23.102 7.569) 24.310 14.393 ( -0.000 5.638 -4.968) 7.514 14.788 ( 0.000 -15.031 10.167) 18.146 14.830 ( -0.000 -1.361 -4.783) 4.973 15.248 ( -0.000 -2.338 -13.273) 13.477 15.993 ( 0.000 -11.718 27.306) 29.714 16.013 ( 0.000 11.083 4.158) 11.837 17.250 ( 0.000 0.129 6.760) 6.761 17.525 ( 0.000 -4.738 2.138) 5.198 17.614 ( -0.000 5.949 -6.575) 8.867 17.837 ( -0.000 -2.486 -12.524) 12.769 18.099 ( 0.000 -0.952 1.510) 1.785 18.314 ( 0.000 -11.242 4.769) 12.212 18.579 ( -0.000 10.997 -2.651) 11.312 19.877 ( -0.000 11.146 1.008) 11.191 20.354 ( -0.000 19.567 -5.644) 20.364 21.465 ( 0.000 -10.758 -1.517) 10.865 22.797 ( 0.000 -11.969 6.164) 13.463 23.389 ( -0.000 6.113 -10.505) 12.154 25.042 ( 0.000 -4.445 11.775) 12.586 ======================= Grid point 164 (118/175) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 2.479 ( -0.000 0.000 -58.014) 58.014 2.637 ( -0.000 0.000 -61.411) 61.411 3.894 ( -0.000 0.000 -92.659) 92.659 6.680 ( 0.000 -0.000 4.169) 4.169 7.258 ( -0.000 0.000 -17.309) 17.309 7.572 ( -0.000 0.000 -3.634) 3.634 8.630 ( 0.000 -0.000 20.724) 20.724 8.991 ( 0.000 -0.000 3.328) 3.328 9.349 ( -0.000 0.000 -2.529) 2.529 9.368 ( -0.000 0.000 -8.605) 8.605 9.571 ( -0.000 0.000 -1.616) 1.616 9.977 ( -0.000 0.000 -14.178) 14.178 10.257 ( 0.000 -0.000 1.608) 1.608 10.569 ( 0.000 -0.000 4.013) 4.013 11.287 ( 0.000 -0.000 0.110) 0.110 11.590 ( -0.000 0.000 -24.045) 24.045 11.862 ( -0.000 0.000 -32.681) 32.681 12.030 ( -0.000 0.000 -27.754) 27.754 12.427 ( -0.000 0.000 -1.807) 1.807 12.577 ( -0.000 0.000 -36.487) 36.487 13.731 ( 0.000 -0.000 1.492) 1.492 13.981 ( -0.000 0.000 -10.857) 10.857 14.553 ( -0.000 0.000 -2.319) 2.319 15.143 ( 0.000 -0.000 1.067) 1.067 15.277 ( 0.000 -0.000 34.365) 34.365 16.049 ( 0.000 -0.000 21.745) 21.745 16.158 ( 0.000 -0.000 35.169) 35.169 16.456 ( 0.000 -0.000 31.917) 31.917 16.848 ( 0.000 -0.000 7.194) 7.194 17.164 ( 0.000 -0.000 10.426) 10.426 17.279 ( -0.000 0.000 -4.311) 4.311 17.754 ( -0.000 0.000 -1.714) 1.714 18.063 ( -0.000 0.000 -1.201) 1.201 18.149 ( 0.000 -0.000 13.385) 13.385 18.364 ( -0.000 0.000 -6.986) 6.986 18.722 ( -0.000 0.000 -9.197) 9.197 19.920 ( -0.000 0.000 -9.244) 9.244 21.095 ( 0.000 -0.000 0.142) 0.142 21.245 ( -0.000 0.000 -2.065) 2.065 21.765 ( -0.000 0.000 -9.649) 9.649 22.854 ( -0.000 0.000 -10.355) 10.355 25.739 ( 0.000 -0.000 13.393) 13.393 ======================= Grid point 166 (119/175) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.076 ( 31.525 44.104 -0.000) 54.212 5.016 ( 8.389 57.273 -0.000) 57.884 6.596 ( 13.532 -5.224 0.000) 14.506 7.003 ( 3.230 -3.308 0.000) 4.623 7.297 ( 8.675 42.556 -0.000) 43.431 7.872 ( 1.497 29.201 -0.000) 29.239 8.076 ( 0.931 0.153 0.000) 0.943 8.695 ( 3.959 -4.881 0.000) 6.285 9.333 ( 9.981 0.781 0.000) 10.012 9.433 ( 8.023 -5.077 0.000) 9.494 9.802 ( -9.365 5.787 -0.000) 11.009 11.235 ( -12.917 -0.717 -0.000) 12.937 11.373 ( -1.935 15.011 -0.000) 15.135 11.702 ( -17.625 16.465 -0.000) 24.119 11.861 ( -13.175 28.056 -0.000) 30.996 12.023 ( 1.404 25.406 -0.000) 25.445 12.288 ( 4.859 -4.348 0.000) 6.520 12.568 ( 19.144 21.258 -0.000) 28.607 12.730 ( 23.177 21.657 -0.000) 31.721 13.299 ( -8.624 -30.992 0.000) 32.169 13.299 ( -1.320 -5.337 0.000) 5.497 13.678 ( -2.158 -40.538 0.000) 40.595 13.806 ( 16.454 -25.957 0.000) 30.733 14.415 ( 2.251 3.812 -0.000) 4.427 14.920 ( -8.281 -5.570 0.000) 9.979 15.098 ( -15.355 -15.795 0.000) 22.029 15.679 ( -12.599 -8.014 0.000) 14.932 15.756 ( 1.915 10.001 -0.000) 10.183 16.587 ( 4.014 -24.136 0.000) 24.467 17.336 ( -13.747 3.655 -0.000) 14.225 17.435 ( -2.968 -4.316 0.000) 5.238 17.687 ( -6.724 5.677 -0.000) 8.800 18.034 ( 1.435 -5.060 0.000) 5.259 18.155 ( 8.150 -4.730 0.000) 9.423 18.526 ( 9.952 -3.824 0.000) 10.661 18.870 ( 20.604 -7.337 0.000) 21.871 19.429 ( 5.367 6.961 -0.000) 8.790 19.706 ( -4.178 12.311 -0.000) 13.001 21.781 ( -1.231 6.413 -0.000) 6.530 22.598 ( -6.937 -3.760 -0.000) 7.891 23.085 ( 4.669 17.467 -0.000) 18.080 25.239 ( -11.407 -13.176 0.000) 17.428 ======================= Grid point 167 (120/175) ======================= q-point: (-0.50 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.940 ( 5.124 -10.412 -46.719) 48.139 5.450 ( 17.269 -13.990 -43.497) 48.846 6.536 ( 14.220 11.642 -0.434) 18.383 7.143 ( 4.941 24.116 -7.247) 25.662 7.355 ( 0.385 22.703 -7.713) 23.980 8.250 ( -6.572 -16.330 -20.858) 27.293 8.401 ( -8.450 7.958 0.026) 11.608 8.644 ( 6.341 -28.391 -20.117) 35.368 9.421 ( 11.041 12.909 -10.538) 19.990 9.694 ( -1.922 -17.091 -9.588) 19.691 10.071 ( -19.774 -9.658 -5.190) 22.610 10.715 ( 3.006 -21.406 8.996) 23.413 10.974 ( 3.609 -23.062 -0.671) 23.352 11.377 ( 9.807 -2.119 4.340) 10.932 11.620 ( 16.392 -10.067 4.655) 19.792 12.299 ( 0.715 8.281 -8.104) 11.608 12.595 ( -5.083 0.835 -1.846) 5.472 12.645 ( 1.270 8.688 8.248) 12.047 13.049 ( -18.864 5.484 -5.355) 20.362 13.173 ( 2.617 1.589 -5.087) 5.937 13.312 ( -7.271 3.184 10.668) 13.297 13.637 ( -5.010 10.252 5.752) 12.778 14.259 ( -4.912 -7.738 -3.924) 9.970 14.607 ( 1.022 15.914 13.118) 20.649 14.634 ( 10.023 3.266 -13.975) 17.505 14.876 ( 1.675 -0.993 4.322) 4.740 15.270 ( 2.694 -0.778 -5.572) 6.238 15.814 ( 0.868 -7.160 25.629) 26.625 16.207 ( -0.848 6.963 6.622) 9.646 17.180 ( -14.639 -8.977 -1.695) 17.255 17.338 ( 2.343 5.844 10.461) 12.210 17.663 ( 5.137 -6.283 -5.376) 9.735 17.906 ( -5.543 9.217 -4.502) 11.660 18.125 ( 2.053 -0.245 0.403) 2.107 18.197 ( 4.278 -1.048 -1.255) 4.580 18.734 ( -0.173 2.889 2.173) 3.619 20.236 ( 13.058 10.886 -2.437) 17.174 20.750 ( -2.212 22.512 -6.999) 23.679 21.248 ( 0.921 -12.048 -1.506) 12.176 22.518 ( 0.969 -14.860 7.692) 16.761 23.433 ( -0.696 -1.178 -13.944) 14.011 24.913 ( -8.595 0.204 15.710) 17.909 ======================= Grid point 168 (121/175) ======================= q-point: (-0.50 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.980 ( 9.582 -0.135 -49.788) 50.702 5.447 ( 15.256 -21.836 -41.676) 49.462 6.778 ( -2.673 -1.061 -6.317) 6.941 7.126 ( -19.267 -5.483 7.539) 21.404 7.563 ( -13.099 8.310 -16.290) 22.495 8.253 ( 7.542 6.141 -4.638) 10.775 8.544 ( 24.892 -4.529 -30.126) 39.341 8.686 ( 9.832 14.943 -1.852) 17.983 9.325 ( 3.878 -14.445 -11.037) 18.588 9.458 ( -5.393 -11.265 -11.084) 16.698 9.732 ( -2.901 -1.301 0.394) 3.203 10.629 ( 4.504 -9.387 1.000) 10.460 11.066 ( 24.567 10.665 -3.997) 27.078 11.623 ( 16.996 -1.088 8.317) 18.953 11.690 ( 6.747 -4.298 5.229) 9.558 12.262 ( -7.812 -10.104 -3.794) 13.323 12.411 ( -19.631 3.515 9.305) 22.007 12.481 ( -4.817 -5.723 -2.061) 7.760 12.711 ( -8.754 -6.211 4.128) 11.500 13.042 ( -9.467 0.125 -12.048) 15.323 13.463 ( -3.011 -2.582 -1.324) 4.182 13.854 ( 0.414 20.273 20.427) 28.782 14.137 ( 0.169 4.870 -9.034) 10.265 14.773 ( -1.692 -5.102 3.986) 6.692 14.868 ( 3.531 4.064 -1.813) 5.681 14.962 ( 4.973 5.811 -12.167) 14.371 15.260 ( 1.926 -0.759 10.229) 10.436 15.674 ( -4.480 -6.870 13.527) 15.819 16.285 ( 0.111 3.166 5.839) 6.643 16.766 ( -10.287 -5.961 -2.425) 12.134 17.487 ( -0.725 4.703 3.352) 5.821 17.589 ( -13.357 2.445 -0.596) 13.592 17.872 ( -0.994 2.652 -4.630) 5.428 18.109 ( -2.962 -3.523 10.882) 11.816 18.401 ( 12.138 2.369 -5.347) 13.473 18.824 ( 10.904 -1.985 8.532) 13.987 20.666 ( 10.900 5.656 -7.354) 14.313 21.040 ( -2.827 1.434 -1.130) 3.365 21.133 ( -1.377 13.117 -5.601) 14.329 22.327 ( 6.310 -14.110 0.677) 15.471 23.357 ( 1.453 -3.889 -4.889) 6.414 24.731 ( -13.077 3.044 13.001) 18.689 ======================= Grid point 170 (122/175) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.529 ( 33.098 36.757 -0.000) 49.462 6.203 ( 7.052 47.092 -0.000) 47.617 6.763 ( 4.553 -1.687 0.000) 4.855 6.989 ( -1.588 -2.672 0.000) 3.109 7.571 ( 18.494 -8.977 0.000) 20.558 7.973 ( -2.322 -8.642 0.000) 8.948 8.831 ( 16.022 -3.684 0.000) 16.440 8.927 ( 2.248 16.265 -0.000) 16.420 9.445 ( 7.555 14.000 -0.000) 15.909 9.570 ( 11.550 -1.178 0.000) 11.610 9.910 ( -3.330 23.206 -0.000) 23.444 10.909 ( -17.980 1.543 -0.000) 18.046 11.603 ( -3.159 8.119 -0.000) 8.712 11.643 ( -15.692 10.422 -0.000) 18.838 12.005 ( -18.706 26.313 -0.000) 32.284 12.162 ( 7.008 -15.358 0.000) 16.882 12.210 ( -2.280 -7.773 0.000) 8.100 12.599 ( 2.738 -26.855 0.000) 26.994 12.725 ( -27.461 -24.632 0.000) 36.890 12.969 ( -0.990 -27.782 0.000) 27.800 13.357 ( 18.196 16.939 -0.000) 24.860 13.586 ( 23.283 19.301 -0.000) 30.243 13.805 ( 15.967 -13.459 0.000) 20.883 14.584 ( -11.318 -5.788 -0.000) 12.712 14.644 ( 1.126 9.475 -0.000) 9.542 14.832 ( -0.049 13.238 -0.000) 13.238 15.319 ( -8.637 -8.828 0.000) 12.351 16.003 ( 3.378 10.460 -0.000) 10.992 16.182 ( -3.263 -21.211 0.000) 21.460 16.984 ( -22.853 0.127 -0.000) 22.853 17.457 ( 6.368 0.209 0.000) 6.371 17.667 ( -1.689 -1.239 0.000) 2.094 18.019 ( 7.098 -4.677 0.000) 8.501 18.188 ( 5.295 -4.948 0.000) 7.247 18.573 ( 4.639 -5.291 0.000) 7.037 19.063 ( 19.256 -13.103 0.000) 23.291 19.798 ( 7.937 16.205 -0.000) 18.044 19.921 ( -5.522 19.252 -0.000) 20.028 21.899 ( 2.907 5.557 -0.000) 6.272 22.236 ( -14.655 -10.317 0.000) 17.922 23.506 ( 5.499 14.602 -0.000) 15.603 24.718 ( -14.471 -14.034 0.000) 20.158 ======================= Grid point 171 (123/175) ======================= q-point: ( 0.17 -0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.570 ( -25.446 -13.458 -0.000) 28.785 6.591 ( -15.071 -2.975 -0.000) 15.362 6.665 ( 15.237 25.159 -0.000) 29.413 7.032 ( 1.362 24.554 -0.000) 24.592 7.920 ( 30.695 -8.659 0.000) 31.893 7.965 ( 11.776 2.848 0.000) 12.115 8.590 ( -3.381 -21.814 0.000) 22.074 8.858 ( 13.926 -27.093 0.000) 30.463 9.640 ( -4.101 0.064 -0.000) 4.101 9.898 ( 7.863 11.417 -0.000) 13.863 10.651 ( -19.368 9.150 -0.000) 21.421 10.802 ( 13.856 35.482 -0.000) 38.092 11.253 ( -38.635 -20.947 -0.000) 43.948 11.377 ( -17.288 -5.471 -0.000) 18.133 11.628 ( -19.394 -5.376 -0.000) 20.125 11.889 ( -19.507 14.264 -0.000) 24.166 12.095 ( 11.160 -10.882 0.000) 15.588 12.310 ( 15.553 -6.926 0.000) 17.025 12.662 ( 24.433 8.407 0.000) 25.839 12.692 ( 13.538 -12.049 0.000) 18.123 13.745 ( 5.576 -15.021 0.000) 16.022 13.781 ( 6.743 -5.743 0.000) 8.857 14.266 ( -13.657 1.467 -0.000) 13.736 14.333 ( 10.514 21.462 -0.000) 23.900 14.780 ( 4.807 4.612 -0.000) 6.662 15.009 ( -5.344 -6.877 0.000) 8.709 15.442 ( 12.955 24.381 -0.000) 27.609 15.595 ( -16.519 -18.797 0.000) 25.024 16.287 ( 3.500 10.603 -0.000) 11.165 16.497 ( -22.361 -2.421 -0.000) 22.491 17.567 ( 3.503 -9.239 0.000) 9.881 17.570 ( 5.327 -2.746 0.000) 5.993 18.091 ( 11.251 -10.462 0.000) 15.363 18.105 ( -3.210 -8.542 0.000) 9.125 18.626 ( 6.405 4.029 -0.000) 7.567 19.161 ( 15.176 -10.588 0.000) 18.505 20.201 ( -7.781 22.174 -0.000) 23.500 20.271 ( 3.056 18.876 -0.000) 19.122 21.730 ( -14.101 -9.424 0.000) 16.960 22.166 ( 11.075 8.642 -0.000) 14.047 23.833 ( 3.914 8.942 -0.000) 9.761 24.125 ( -15.604 -16.834 0.000) 22.954 ======================= Grid point 172 (124/175) ======================= q-point: (-0.50 -0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.143 ( -1.463 0.000 -28.393) 28.431 5.414 ( 12.312 -0.000 -49.958) 51.453 6.462 ( -23.626 -0.000 -5.750) 24.316 6.620 ( -20.604 0.000 6.606) 21.637 7.305 ( -12.999 0.000 -17.901) 22.123 8.522 ( 8.283 -0.000 -11.190) 13.922 8.825 ( -1.515 0.000 7.262) 7.418 9.151 ( 20.640 0.000 6.958) 21.781 9.452 ( 21.070 0.000 2.711) 21.244 9.549 ( 26.464 -0.000 -38.903) 47.051 9.690 ( -1.281 0.000 4.680) 4.852 10.628 ( 6.037 0.000 -3.312) 6.886 11.210 ( -28.989 -0.000 26.934) 39.570 11.841 ( 5.060 0.000 4.987) 7.104 11.881 ( -8.654 -0.000 12.970) 15.592 12.072 ( 14.768 0.000 -4.206) 15.355 12.110 ( -5.351 -0.000 -14.126) 15.106 12.305 ( -8.437 0.000 -0.026) 8.437 12.672 ( 10.291 0.000 -11.387) 15.349 12.825 ( -2.751 0.000 4.141) 4.971 13.326 ( -4.581 -0.000 4.047) 6.113 14.139 ( 5.123 0.000 14.704) 15.571 14.187 ( -5.904 -0.000 -9.054) 10.809 14.622 ( -0.811 0.000 1.232) 1.474 14.983 ( 3.755 0.000 -32.894) 33.107 15.073 ( 0.931 0.000 -0.129) 0.940 15.334 ( -15.953 0.000 7.239) 17.519 15.423 ( 8.051 0.000 24.093) 25.403 16.336 ( 2.168 0.000 -0.626) 2.257 16.566 ( -7.090 -0.000 0.453) 7.105 17.255 ( -14.824 0.000 -7.956) 16.824 17.497 ( -4.045 0.000 -1.384) 4.276 17.912 ( -5.910 0.000 15.756) 16.828 18.020 ( 5.980 -0.000 3.095) 6.733 18.679 ( 13.063 0.000 -3.649) 13.563 19.062 ( 13.346 -0.000 8.232) 15.680 20.831 ( 1.872 0.000 -9.083) 9.274 21.024 ( 0.779 0.000 2.790) 2.897 21.321 ( -2.215 0.000 -3.484) 4.129 22.176 ( -0.979 0.000 -13.326) 13.362 23.455 ( 11.017 0.000 8.310) 13.800 24.495 ( -14.468 0.000 8.734) 16.900 ======================= Grid point 173 (125/175) ======================= q-point: (-0.17 -0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.877 ( 34.535 35.828 -6.922) 50.242 5.527 ( 29.380 30.991 -28.505) 51.343 6.864 ( 5.364 -4.452 7.824) 10.479 7.124 ( -2.237 5.381 -4.696) 7.484 7.562 ( 15.040 -2.217 20.197) 25.279 8.076 ( 17.585 13.503 -5.001) 22.728 8.310 ( -5.434 -2.054 5.267) 7.841 8.642 ( 13.377 13.843 -10.010) 21.697 9.217 ( 7.893 -0.626 -2.365) 8.263 9.543 ( 17.432 -6.073 -8.648) 20.385 10.008 ( -6.336 16.002 5.536) 18.079 10.762 ( -22.507 10.747 -9.714) 26.766 11.403 ( 1.230 11.763 -15.438) 19.448 11.633 ( -2.258 -0.426 -14.711) 14.889 11.758 ( 5.973 -4.505 -25.056) 26.149 12.176 ( -1.100 14.626 4.335) 15.295 12.381 ( 15.473 3.704 13.094) 20.606 12.488 ( 0.611 -0.307 -7.692) 7.722 12.836 ( -22.097 -3.660 19.161) 29.476 13.240 ( 10.102 -19.479 8.637) 23.581 13.632 ( -5.425 -9.400 17.278) 20.404 13.698 ( -3.053 6.225 6.535) 9.527 14.083 ( -7.937 -7.043 -4.450) 11.507 14.235 ( 14.661 10.646 -5.121) 18.828 14.509 ( 2.514 -0.964 -0.148) 2.696 15.045 ( -6.995 -13.590 -0.429) 15.291 15.522 ( 6.261 5.153 5.421) 9.754 15.775 ( -5.585 -7.290 -7.257) 11.705 16.369 ( -21.955 1.708 5.296) 22.650 16.857 ( -10.521 -6.059 -11.537) 16.748 17.397 ( 1.063 2.692 11.655) 12.009 17.552 ( 4.606 -1.746 1.402) 5.121 17.769 ( -2.392 10.812 8.049) 13.690 18.175 ( 3.993 -4.063 7.572) 9.476 18.893 ( 11.352 -8.505 11.910) 18.522 19.449 ( 2.480 -0.732 1.688) 3.088 19.659 ( -1.170 -5.389 -9.480) 10.968 20.280 ( 9.356 -12.745 -9.377) 18.382 21.472 ( -2.970 14.314 -0.054) 14.619 22.815 ( -0.980 -14.482 -9.035) 17.097 23.179 ( 12.370 12.724 -0.936) 17.771 24.600 ( -20.458 -0.345 1.770) 20.538 ======================= Grid point 174 (126/175) ======================= q-point: (-0.17 -0.17 0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.131 ( 24.913 29.164 -5.993) 38.822 6.529 ( 18.631 20.551 -21.067) 34.832 6.797 ( -0.025 -12.786 -0.986) 12.824 7.020 ( -9.484 -3.827 -8.374) 13.218 7.793 ( 12.462 -4.111 20.942) 24.713 7.992 ( -15.442 -1.980 13.768) 20.784 8.441 ( -4.825 19.678 22.126) 30.001 8.702 ( 9.278 -21.103 18.267) 29.412 9.531 ( 10.830 -0.672 -2.553) 11.147 9.859 ( -12.028 -7.614 -0.170) 14.237 10.415 ( 35.885 33.106 -26.108) 55.366 10.954 ( -6.714 32.072 -11.966) 34.883 11.393 ( -0.800 -15.516 -16.940) 22.986 11.574 ( -3.081 -3.337 -8.712) 9.825 11.609 ( 1.941 -10.314 -11.660) 15.687 11.867 ( -29.843 -10.739 -13.032) 34.289 12.422 ( 4.697 -6.933 3.316) 9.007 12.473 ( -12.305 4.020 11.364) 17.225 12.764 ( 4.721 14.558 14.320) 20.959 13.111 ( 5.563 -12.340 17.074) 21.789 13.357 ( 5.977 -14.022 12.660) 19.815 13.446 ( -11.203 -6.101 3.980) 13.362 14.068 ( -2.727 15.189 0.140) 15.432 14.327 ( -2.697 -9.437 -1.334) 9.905 14.999 ( 20.229 3.811 -7.706) 21.980 15.110 ( 12.052 13.650 -4.218) 18.691 15.500 ( -2.093 -7.399 -7.861) 10.997 15.803 ( -12.339 3.788 4.222) 13.580 15.994 ( -1.476 5.038 -2.422) 5.781 16.436 ( -12.849 -12.996 -10.032) 20.848 17.449 ( -1.137 4.529 12.027) 12.902 17.538 ( 0.888 -5.431 8.118) 9.807 18.047 ( 3.464 12.153 3.163) 13.027 18.206 ( 3.604 -3.747 7.685) 9.278 18.932 ( 8.472 -4.628 6.593) 11.690 19.143 ( -9.845 -7.454 -0.873) 12.379 19.900 ( 3.342 12.612 -3.714) 13.566 20.155 ( 3.293 -13.148 -5.478) 14.619 21.789 ( 2.014 20.429 -3.900) 20.896 22.321 ( -6.308 -23.693 -7.759) 25.717 23.717 ( 16.558 10.288 0.686) 19.505 24.193 ( -17.880 -3.969 0.976) 18.342 ======================= Grid point 175 (127/175) ======================= q-point: ( 0.17 -0.17 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.509 ( -36.858 -28.527 0.000) 46.608 5.971 ( -38.221 -6.245 -0.000) 38.728 7.040 ( -0.869 1.083 -0.000) 1.388 7.379 ( -0.603 12.990 -0.000) 13.004 8.120 ( 2.460 -13.989 0.000) 14.204 8.227 ( 14.887 -14.067 0.000) 20.481 8.389 ( 15.987 -4.040 0.000) 16.489 8.618 ( -6.815 -5.564 0.000) 8.798 9.689 ( -45.424 -15.702 -0.000) 48.061 9.695 ( 4.464 7.251 -0.000) 8.515 9.846 ( -9.813 -14.234 0.000) 17.289 10.828 ( -13.001 -4.817 -0.000) 13.865 10.926 ( -5.458 21.520 -0.000) 22.201 11.375 ( -4.537 -4.630 0.000) 6.482 11.568 ( 9.904 7.710 -0.000) 12.551 11.812 ( -16.077 12.250 -0.000) 20.212 12.170 ( 1.033 3.309 -0.000) 3.467 12.610 ( 19.670 -2.428 0.000) 19.819 12.940 ( 23.375 -9.744 0.000) 25.324 13.319 ( 7.044 -4.204 0.000) 8.203 13.392 ( -5.924 -19.443 0.000) 20.326 13.651 ( 18.709 9.703 0.000) 21.075 14.158 ( -4.838 2.314 -0.000) 5.363 14.665 ( -22.243 -13.733 0.000) 26.141 14.810 ( -4.615 23.043 -0.000) 23.500 15.060 ( 20.383 -1.081 0.000) 20.411 15.070 ( -6.063 0.068 -0.000) 6.063 16.122 ( 10.137 20.250 -0.000) 22.646 16.135 ( -11.775 3.911 -0.000) 12.408 16.471 ( 1.077 2.395 -0.000) 2.626 17.502 ( 8.188 -12.682 0.000) 15.095 17.516 ( 0.310 -9.388 0.000) 9.394 17.728 ( -9.350 -10.131 0.000) 13.786 18.058 ( 10.003 -10.765 0.000) 14.696 18.954 ( 10.620 8.235 -0.000) 13.439 19.265 ( 12.613 -7.058 0.000) 14.453 20.438 ( -13.181 22.423 -0.000) 26.010 20.607 ( -2.777 16.215 -0.000) 16.451 21.407 ( -6.623 -2.714 -0.000) 7.158 22.634 ( 14.303 11.329 -0.000) 18.246 23.465 ( -15.714 -18.733 0.000) 24.451 23.993 ( 2.289 1.348 0.000) 2.656 ======================= Grid point 179 (128/175) ======================= q-point: ( 0.17 -0.17 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.135 ( -44.316 -27.977 0.000) 52.408 4.903 ( -53.564 -8.154 -0.000) 54.181 6.973 ( 1.536 -4.243 0.000) 4.512 7.317 ( -48.951 -8.341 -0.000) 49.657 7.677 ( -32.374 5.810 -0.000) 32.891 7.826 ( 1.205 -15.052 0.000) 15.100 8.308 ( 8.230 1.848 0.000) 8.435 8.594 ( 15.155 -9.653 0.000) 17.968 9.280 ( 2.181 -11.914 0.000) 12.112 9.475 ( -6.371 4.688 -0.000) 7.910 9.870 ( -0.733 1.967 -0.000) 2.099 10.783 ( -2.884 17.353 -0.000) 17.592 11.017 ( -12.437 7.328 -0.000) 14.435 11.227 ( -16.533 6.103 -0.000) 17.623 11.659 ( -15.283 6.002 -0.000) 16.419 11.681 ( 2.797 -10.513 0.000) 10.879 12.120 ( -13.726 2.794 -0.000) 14.008 12.475 ( -14.950 -15.266 0.000) 21.367 12.500 ( -4.525 -32.540 0.000) 32.853 13.510 ( -5.419 -3.535 0.000) 6.470 13.528 ( 30.220 -0.066 0.000) 30.220 13.866 ( 11.882 -8.683 0.000) 14.717 14.316 ( 8.085 14.884 -0.000) 16.938 14.435 ( 0.094 13.982 -0.000) 13.983 14.939 ( -2.411 -8.877 0.000) 9.199 15.038 ( 2.768 -0.396 0.000) 2.796 15.597 ( 18.655 18.711 -0.000) 26.422 16.333 ( 5.124 22.463 -0.000) 23.041 16.395 ( 1.743 -7.489 0.000) 7.689 16.585 ( 6.208 7.001 -0.000) 9.357 17.249 ( -0.368 -16.113 0.000) 16.117 17.264 ( 3.426 -7.808 0.000) 8.527 17.710 ( 9.059 -2.531 0.000) 9.406 18.091 ( 7.810 -5.674 0.000) 9.654 19.257 ( 7.928 3.268 0.000) 8.576 19.366 ( 8.039 -3.773 0.000) 8.881 20.501 ( -19.950 16.073 -0.000) 25.619 20.844 ( -2.784 14.865 -0.000) 15.123 21.310 ( -2.202 -0.124 -0.000) 2.205 22.837 ( -14.012 -13.880 0.000) 19.723 23.036 ( 4.137 8.013 -0.000) 9.017 24.007 ( 5.374 -5.837 0.000) 7.934 ======================= Grid point 180 (129/175) ======================= q-point: ( 0.17 -0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -49.648 -0.000 -0.000) 49.648 3.674 ( -60.168 -0.000 -0.000) 60.168 5.680 ( -86.908 -0.000 -0.000) 86.908 6.958 ( 0.023 0.000 0.000) 0.023 7.566 ( -12.576 -0.000 -0.000) 12.576 7.569 ( -3.205 -0.000 -0.000) 3.205 8.572 ( 9.697 0.000 0.000) 9.697 8.730 ( 17.010 0.000 0.000) 17.010 9.181 ( 5.004 0.000 0.000) 5.004 9.534 ( 0.758 0.000 0.000) 0.758 9.803 ( -6.770 -0.000 -0.000) 6.770 10.700 ( -38.862 -0.000 -0.000) 38.862 10.906 ( -9.562 -0.000 -0.000) 9.562 11.146 ( -15.558 -0.000 -0.000) 15.558 11.156 ( -2.242 -0.000 -0.000) 2.242 11.572 ( -9.891 -0.000 -0.000) 9.891 11.852 ( -12.503 -0.000 -0.000) 12.503 11.903 ( -19.727 -0.000 -0.000) 19.727 12.043 ( -3.017 -0.000 -0.000) 3.017 12.908 ( -29.431 -0.000 -0.000) 29.431 14.184 ( 31.297 0.000 0.000) 31.297 14.423 ( -12.360 -0.000 -0.000) 12.360 14.468 ( 12.982 0.000 0.000) 12.982 14.638 ( 18.878 0.000 0.000) 18.878 14.850 ( 10.197 0.000 0.000) 10.197 15.027 ( 5.971 0.000 0.000) 5.971 16.329 ( 11.689 0.000 0.000) 11.689 16.381 ( 24.134 0.000 0.000) 24.134 16.809 ( 13.142 0.000 0.000) 13.142 16.872 ( -4.351 -0.000 -0.000) 4.351 17.040 ( 19.001 0.000 0.000) 19.001 17.343 ( 6.560 0.000 0.000) 6.560 17.837 ( 6.667 0.000 0.000) 6.667 18.101 ( 0.336 0.000 0.000) 0.336 19.406 ( 5.088 0.000 0.000) 5.088 19.419 ( 0.588 0.000 0.000) 0.588 20.233 ( -23.208 -0.000 -0.000) 23.208 21.026 ( 1.185 0.000 0.000) 1.185 21.273 ( -1.518 -0.000 -0.000) 1.518 22.448 ( -11.239 -0.000 -0.000) 11.239 23.040 ( -10.196 -0.000 -0.000) 10.196 24.073 ( 10.231 0.000 0.000) 10.231 ======================= Grid point 190 (130/175) ======================= q-point: ( 0.36 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.758 ( -0.000 42.155 9.325) 43.174 5.866 ( -0.000 51.280 -15.711) 53.632 6.162 ( -0.000 -7.247 -17.490) 18.932 6.723 ( -0.000 -0.972 -9.928) 9.975 6.935 ( -0.000 -9.212 -38.885) 39.962 8.205 ( -0.000 10.248 -5.202) 11.492 8.724 ( 0.000 9.734 5.793) 11.328 9.098 ( 0.000 38.146 12.754) 40.222 9.359 ( 0.000 -20.016 21.451) 29.339 9.669 ( 0.000 7.139 29.820) 30.663 9.938 ( -0.000 15.794 1.217) 15.841 11.378 ( 0.000 -0.620 0.155) 0.640 11.501 ( 0.000 -7.737 12.885) 15.030 11.922 ( 0.000 -20.397 -0.326) 20.400 11.973 ( -0.000 -37.437 -31.176) 48.719 12.218 ( -0.000 17.265 -17.129) 24.321 12.244 ( -0.000 -7.216 -13.231) 15.071 12.749 ( 0.000 13.412 6.500) 14.904 12.826 ( -0.000 27.912 -1.873) 27.975 13.118 ( 0.000 18.198 17.713) 25.395 13.122 ( -0.000 -0.827 -4.992) 5.060 13.392 ( 0.000 -3.251 2.278) 3.970 13.443 ( 0.000 -11.784 18.096) 21.595 14.398 ( -0.000 3.119 -3.102) 4.399 14.893 ( 0.000 -12.082 7.038) 13.982 14.954 ( -0.000 -4.089 -4.234) 5.886 15.653 ( -0.000 -3.119 -16.660) 16.949 15.835 ( 0.000 2.059 0.933) 2.260 16.043 ( 0.000 -21.181 6.120) 22.047 17.245 ( 0.000 -10.860 1.888) 11.023 17.532 ( 0.000 -0.257 2.215) 2.230 17.646 ( -0.000 4.757 -11.215) 12.182 18.057 ( 0.000 -0.013 2.894) 2.894 18.209 ( -0.000 -0.420 -2.934) 2.964 18.375 ( 0.000 -11.921 1.207) 11.982 18.444 ( -0.000 6.258 -1.547) 6.446 19.594 ( 0.000 10.348 4.426) 11.255 20.051 ( -0.000 16.916 0.042) 16.916 21.715 ( -0.000 -4.406 -6.562) 7.904 22.753 ( 0.000 -6.835 13.614) 15.234 23.335 ( -0.000 17.373 -6.740) 18.634 25.079 ( 0.000 -14.488 3.534) 14.913 ======================= Grid point 191 (131/175) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( -0.000 -9.078 -51.705) 52.495 3.917 ( -0.000 -6.380 -58.280) 58.628 6.138 ( -0.000 -35.255 -79.796) 87.237 6.560 ( 0.000 5.126 2.026) 5.512 7.452 ( -0.000 20.189 -13.844) 24.480 7.600 ( -0.000 5.222 -2.240) 5.683 8.339 ( 0.000 -1.773 4.749) 5.069 8.795 ( 0.000 10.251 3.154) 10.725 9.425 ( -0.000 16.593 -6.649) 17.876 9.493 ( 0.000 -10.526 1.711) 10.664 9.684 ( -0.000 -11.775 -17.162) 20.813 10.414 ( 0.000 -19.346 4.785) 19.929 10.661 ( 0.000 -17.617 7.403) 19.109 10.663 ( -0.000 -27.508 -15.452) 31.551 11.289 ( -0.000 -0.233 -0.761) 0.796 12.172 ( -0.000 -6.418 -23.126) 24.000 12.299 ( -0.000 8.608 -9.574) 12.875 12.530 ( -0.000 2.051 -29.484) 29.556 12.819 ( -0.000 -7.272 -25.935) 26.935 13.315 ( -0.000 -9.765 -10.215) 14.131 13.629 ( 0.000 -0.405 9.347) 9.355 14.111 ( -0.000 12.091 -4.956) 13.067 14.502 ( 0.000 -0.223 9.975) 9.978 14.600 ( 0.000 27.876 24.513) 37.121 14.755 ( 0.000 1.139 2.725) 2.953 15.314 ( 0.000 12.796 3.900) 13.377 15.406 ( 0.000 5.334 32.040) 32.481 16.192 ( 0.000 -23.305 36.920) 43.660 16.589 ( 0.000 7.723 9.334) 12.115 17.163 ( -0.000 -7.886 -3.063) 8.460 17.352 ( 0.000 -4.088 0.440) 4.111 17.721 ( 0.000 9.502 9.601) 13.508 17.893 ( -0.000 -1.231 -5.227) 5.370 18.083 ( -0.000 -0.225 -0.390) 0.450 18.303 ( 0.000 7.476 6.613) 9.981 18.850 ( -0.000 5.738 -7.480) 9.428 20.079 ( -0.000 0.188 -5.726) 5.729 21.023 ( -0.000 22.650 -10.323) 24.891 21.107 ( 0.000 -4.421 3.000) 5.343 22.206 ( -0.000 -17.397 -4.886) 18.070 23.108 ( -0.000 -4.553 -10.062) 11.045 25.393 ( 0.000 2.485 16.835) 17.017 ======================= Grid point 192 (132/175) ======================= q-point: (-0.31 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.736 ( 9.932 0.000 -54.962) 55.853 3.934 ( 7.297 0.000 -54.524) 55.011 6.072 ( 27.859 0.000 -72.920) 78.060 6.802 ( 17.665 0.000 -6.248) 18.737 7.422 ( -11.984 0.000 -8.014) 14.417 7.669 ( -6.854 0.000 -7.596) 10.231 8.312 ( -5.628 -0.000 2.328) 6.091 9.020 ( 12.056 -0.000 6.980) 13.931 9.197 ( -14.121 -0.000 2.677) 14.373 9.399 ( -11.455 0.000 -7.429) 13.654 9.542 ( -3.201 0.000 -8.203) 8.806 10.476 ( 4.773 0.000 0.203) 4.778 10.609 ( 25.212 0.000 -16.338) 30.043 10.707 ( 31.927 0.000 1.434) 31.960 11.429 ( 13.685 0.000 0.801) 13.709 11.980 ( -9.447 0.000 -23.019) 24.883 12.367 ( -1.314 0.000 -7.999) 8.106 12.676 ( -2.009 0.000 -30.037) 30.104 12.736 ( 6.835 0.000 -19.856) 20.999 12.941 ( -15.267 0.000 -19.020) 24.389 13.716 ( -1.793 -0.000 17.207) 17.300 14.236 ( -18.011 -0.000 16.679) 24.548 14.281 ( 3.227 0.000 -14.037) 14.403 14.710 ( -1.769 0.000 -5.749) 6.015 14.877 ( -6.500 -0.000 22.680) 23.593 15.471 ( -3.712 -0.000 30.621) 30.845 15.640 ( 2.111 -0.000 10.320) 10.533 15.790 ( 4.531 -0.000 31.314) 31.640 16.602 ( -6.433 -0.000 9.332) 11.335 16.920 ( -8.138 -0.000 4.866) 9.481 17.409 ( 3.009 0.000 -3.664) 4.741 17.815 ( -2.251 0.000 -5.326) 5.782 17.895 ( -2.340 -0.000 5.171) 5.676 18.176 ( 10.666 -0.000 3.180) 11.130 18.352 ( -3.828 -0.000 4.188) 5.674 18.847 ( -0.185 -0.000 1.004) 1.020 20.243 ( 14.427 0.000 -7.647) 16.328 21.065 ( 0.112 -0.000 2.497) 2.499 21.306 ( -0.965 0.000 -4.244) 4.352 21.971 ( -0.874 0.000 -10.029) 10.067 23.108 ( 5.587 0.000 -7.431) 9.297 25.294 ( -11.991 -0.000 13.883) 18.344 ======================= Grid point 194 (133/175) ======================= q-point: ( 0.36 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.641 ( 21.275 18.735 -4.090) 28.642 6.280 ( 9.355 5.501 -25.379) 27.601 6.469 ( 0.347 3.715 -27.526) 27.778 6.917 ( 4.707 34.410 -10.017) 36.146 7.106 ( 16.981 1.253 -12.145) 20.914 8.254 ( -16.369 7.540 -4.089) 18.480 8.580 ( -8.606 -22.521 20.336) 31.541 9.103 ( 2.690 1.728 -2.842) 4.278 9.441 ( 2.242 6.282 -4.677) 8.146 9.808 ( 0.141 1.686 21.511) 21.577 10.509 ( 5.702 20.679 -0.463) 21.456 11.070 ( -7.196 -19.506 -18.429) 27.783 11.321 ( -2.064 -10.879 -2.141) 11.279 11.498 ( 6.335 -25.733 0.173) 26.501 11.668 ( 6.145 2.104 -8.458) 10.664 11.873 ( 3.422 -9.650 2.885) 10.637 12.483 ( -2.827 1.921 2.600) 4.295 12.792 ( -13.491 -0.152 2.852) 13.790 12.898 ( -15.100 -5.818 13.216) 20.893 13.043 ( -1.078 5.587 2.563) 6.240 13.261 ( -2.632 7.481 -0.202) 7.933 13.446 ( 7.225 0.580 0.594) 7.272 13.937 ( 6.521 27.376 12.134) 30.646 14.484 ( -3.112 -5.184 -5.154) 7.945 14.744 ( 9.004 2.083 -0.921) 9.288 14.903 ( -1.862 2.312 -5.189) 5.978 15.341 ( 0.861 -12.644 10.253) 16.301 15.796 ( -4.308 0.957 -13.022) 13.749 16.067 ( 6.708 -0.217 -0.379) 6.723 17.097 ( 4.352 -8.382 10.675) 14.253 17.367 ( -9.657 -2.800 -4.962) 11.212 17.764 ( 1.652 -1.590 2.647) 3.502 17.923 ( -7.412 0.950 -4.604) 8.777 18.164 ( -5.094 0.819 2.222) 5.618 18.294 ( 8.907 -2.447 -10.561) 14.030 18.646 ( 6.982 -1.251 4.794) 8.561 19.963 ( 11.333 15.620 2.255) 19.429 20.405 ( -2.849 22.180 -2.080) 22.459 21.595 ( 2.794 -10.099 -9.176) 13.928 22.500 ( -4.653 -12.049 16.871) 21.248 23.640 ( -0.636 12.808 -12.720) 18.062 24.733 ( -7.526 -12.217 9.845) 17.401 ======================= Grid point 195 (134/175) ======================= q-point: (-0.64 -0.19 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.045 ( 6.581 -6.496 -43.681) 44.649 6.385 ( 14.923 -5.742 -15.432) 22.222 6.938 ( 9.974 9.044 -9.466) 16.458 7.155 ( -17.296 -10.695 5.258) 21.004 7.552 ( 11.698 13.167 -10.256) 20.381 8.111 ( -6.507 5.444 4.400) 9.558 8.249 ( -2.743 16.204 -0.375) 16.439 8.829 ( -3.412 -14.903 15.766) 21.962 9.664 ( -5.033 0.592 -0.468) 5.089 9.863 ( -1.096 2.865 -7.113) 7.746 10.504 ( 11.607 -22.601 -36.166) 44.199 10.813 ( 4.209 -0.639 -18.689) 19.168 11.228 ( 12.486 -16.385 -5.188) 21.243 11.302 ( 2.731 1.484 11.708) 12.114 11.588 ( -2.018 -2.426 7.419) 8.063 12.088 ( -29.798 -13.509 17.187) 36.957 12.445 ( 14.437 16.202 12.575) 25.081 12.467 ( -5.522 6.290 7.721) 11.387 12.570 ( -3.203 -4.071 4.949) 7.164 12.934 ( -12.046 13.408 8.361) 19.870 13.373 ( -1.250 -6.455 -0.852) 6.630 13.615 ( 7.596 -3.837 2.637) 8.909 14.217 ( -2.525 2.326 -5.547) 6.523 14.537 ( 5.198 7.302 -3.255) 9.536 14.880 ( 5.375 -7.926 9.762) 13.676 14.926 ( -2.005 9.992 -4.637) 11.196 15.494 ( 9.895 7.160 -0.914) 12.248 15.627 ( -7.490 -3.231 -8.488) 11.772 16.179 ( 2.730 0.745 -7.507) 8.022 16.971 ( -15.626 3.895 2.664) 16.323 17.180 ( 6.469 -9.199 3.647) 11.822 17.630 ( -3.951 -4.562 7.244) 9.429 17.889 ( -5.149 2.638 -4.726) 7.470 18.058 ( -3.187 -5.402 3.287) 7.081 18.492 ( 9.523 4.929 -8.879) 13.922 18.745 ( 12.434 -6.059 6.891) 15.453 20.510 ( 8.605 16.652 -1.237) 18.785 20.772 ( -5.468 22.952 -2.659) 23.744 21.426 ( 1.256 -11.587 -13.679) 17.970 22.286 ( 7.445 -8.027 20.470) 23.213 23.700 ( -5.454 -3.698 -16.657) 17.913 24.398 ( -10.418 -0.925 15.128) 18.391 ======================= Grid point 199 (135/175) ======================= q-point: (-0.64 -0.19 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.698 ( -23.997 -13.439 -14.071) 30.895 6.465 ( -15.368 -3.961 -25.130) 29.722 6.646 ( 3.366 -1.440 -16.104) 16.515 6.807 ( -7.400 -13.873 -18.142) 24.008 7.704 ( -9.355 -0.876 -17.896) 20.213 8.301 ( 15.091 4.932 25.204) 29.788 8.594 ( 3.638 5.091 15.990) 17.170 8.909 ( 4.780 17.733 1.175) 18.403 9.558 ( -4.094 -13.237 -10.691) 17.501 9.573 ( 1.239 -3.019 3.272) 4.621 10.387 ( -27.995 -13.096 -10.384) 32.605 10.752 ( 8.418 -0.620 -5.336) 9.986 10.964 ( 8.631 -11.421 -2.226) 14.488 11.459 ( -6.279 4.702 16.338) 18.124 11.666 ( 4.840 2.029 7.620) 9.253 11.873 ( 16.173 11.939 -9.249) 22.128 12.364 ( -14.598 6.129 -6.813) 17.236 12.563 ( -2.011 -8.909 3.854) 9.913 12.652 ( 0.320 10.305 5.822) 11.840 12.893 ( -9.664 -10.488 -5.865) 15.420 13.465 ( 10.632 -10.937 3.591) 15.671 13.654 ( 16.702 11.279 16.936) 26.325 14.108 ( -8.709 -3.831 6.074) 11.287 14.711 ( 4.808 -0.719 -2.027) 5.267 14.839 ( 3.864 -0.373 5.949) 7.104 15.196 ( -1.550 12.209 -5.996) 13.690 15.274 ( -15.277 0.306 3.068) 15.585 15.767 ( 6.110 -2.656 -31.817) 32.507 16.289 ( 7.029 4.307 2.441) 8.598 16.705 ( -13.796 0.914 -10.311) 17.247 17.264 ( 3.392 3.570 10.499) 11.596 17.413 ( -6.639 -5.192 3.171) 9.005 17.749 ( -8.198 -13.698 9.592) 18.624 17.895 ( 4.314 0.160 4.908) 6.536 18.809 ( 9.949 5.104 -8.666) 14.146 18.925 ( 15.998 -3.960 7.050) 17.925 20.865 ( 1.738 9.709 -0.530) 9.877 21.018 ( -8.978 13.969 -5.348) 17.445 21.292 ( -0.220 0.504 -11.023) 11.037 22.448 ( 17.367 -7.432 8.102) 20.555 23.372 ( -7.636 -8.356 -1.649) 11.439 24.268 ( -9.834 4.181 8.721) 13.793 ======================= Grid point 203 (136/175) ======================= q-point: ( 0.36 -0.19 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.844 ( -41.555 -0.000 4.948) 41.849 5.712 ( -48.114 0.000 -14.770) 50.330 6.671 ( 6.489 0.000 -13.000) 14.529 6.890 ( 14.238 0.000 -40.776) 43.190 7.482 ( -6.805 0.000 -17.804) 19.060 8.623 ( -1.060 -0.000 10.158) 10.213 8.634 ( 8.043 -0.000 30.981) 32.008 8.908 ( -34.988 -0.000 6.538) 35.594 9.362 ( -5.982 -0.000 13.765) 15.008 9.452 ( -25.544 -0.000 -2.406) 25.657 9.785 ( 15.965 -0.000 3.391) 16.322 10.883 ( 5.228 0.000 -7.399) 9.059 11.161 ( 12.066 -0.000 19.281) 22.745 11.669 ( 8.435 0.000 -11.473) 14.240 11.715 ( -1.095 -0.000 10.222) 10.281 12.127 ( -10.318 -0.000 -1.839) 10.480 12.230 ( -4.630 0.000 -15.873) 16.534 12.286 ( -15.853 -0.000 8.368) 17.926 12.332 ( -0.249 0.000 -13.519) 13.521 12.988 ( -13.427 -0.000 8.051) 15.656 13.424 ( 19.491 0.000 -7.729) 20.967 13.938 ( 0.911 -0.000 20.847) 20.866 14.198 ( 15.289 0.000 1.780) 15.392 14.796 ( 4.071 0.000 -6.350) 7.542 14.798 ( -18.352 -0.000 3.544) 18.691 14.942 ( 2.246 -0.000 6.717) 7.083 15.496 ( 12.073 0.000 -2.401) 12.310 15.894 ( 9.401 0.000 -35.029) 36.268 16.379 ( -1.759 0.000 -0.715) 1.898 16.549 ( -6.895 0.000 -11.309) 13.245 17.167 ( -4.989 -0.000 2.203) 5.453 17.432 ( 2.215 -0.000 24.542) 24.642 17.475 ( 3.225 0.000 -2.355) 3.993 18.012 ( 5.811 -0.000 6.729) 8.891 19.038 ( 9.047 0.000 -6.897) 11.376 19.179 ( 12.150 -0.000 4.535) 12.968 20.936 ( -11.453 0.000 -8.079) 14.016 20.995 ( 1.175 -0.000 1.697) 2.065 21.333 ( -2.369 0.000 -1.922) 3.050 22.468 ( -2.120 0.000 -18.772) 18.892 23.338 ( 8.138 -0.000 20.914) 22.442 24.111 ( -9.045 -0.000 5.353) 10.510 ======================= Grid point 205 (137/175) ======================= q-point: ( 0.69 -0.19 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.271 ( -23.949 27.152 6.384) 36.763 6.722 ( -3.397 -1.593 -7.075) 8.009 6.955 ( -8.951 8.898 15.492) 19.982 7.062 ( 4.424 -3.652 -5.393) 7.874 7.507 ( -13.625 3.086 -4.959) 14.824 7.899 ( 12.594 -3.674 -1.964) 13.265 8.084 ( 5.999 7.534 -1.998) 9.836 8.561 ( 6.037 -25.632 5.944) 26.996 9.545 ( -12.209 1.781 -1.572) 12.437 9.837 ( 6.435 -4.871 -1.305) 8.176 10.929 ( -24.357 24.110 18.158) 38.785 11.081 ( 3.740 31.524 2.478) 31.842 11.440 ( -8.670 -10.197 -13.190) 18.792 11.593 ( 4.321 1.017 -2.311) 5.004 11.796 ( 5.119 -21.167 1.881) 21.859 11.938 ( 24.573 0.179 -8.245) 25.920 12.403 ( 1.442 0.727 -6.183) 6.391 12.501 ( 5.491 9.008 11.071) 15.293 12.640 ( -0.011 -7.349 3.965) 8.350 12.749 ( -0.982 -4.161 -4.533) 6.231 13.150 ( -12.049 -7.678 -5.073) 15.161 13.459 ( 10.588 -15.505 3.679) 19.132 14.072 ( 2.858 16.438 0.335) 16.688 14.339 ( 2.425 -10.168 0.125) 10.454 15.096 ( -15.554 10.140 -4.087) 19.012 15.193 ( -19.574 0.335 10.060) 22.010 15.520 ( 5.067 -2.532 -6.547) 8.657 15.749 ( 16.123 3.620 1.122) 16.562 16.055 ( -5.485 9.218 1.116) 10.784 16.594 ( 13.849 -13.900 -3.202) 19.881 17.258 ( 0.914 9.331 0.111) 9.376 17.433 ( 0.066 -8.323 0.706) 8.353 18.006 ( -3.282 9.960 -0.261) 10.490 18.139 ( -3.068 -3.030 0.959) 4.417 18.821 ( -13.527 -1.486 -3.923) 14.163 19.182 ( 12.432 -9.972 2.676) 16.161 19.948 ( -2.546 12.800 0.468) 13.059 20.220 ( -2.144 -14.326 0.444) 14.492 21.827 ( -3.273 22.109 -0.480) 22.355 22.413 ( 7.277 -25.011 0.441) 26.052 23.719 ( -16.392 9.246 1.057) 18.849 24.170 ( 17.444 -2.792 -1.133) 17.703 ======================= Grid point 217 (138/175) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 3.738 ( -0.000 48.788 -0.000) 48.788 4.933 ( -0.000 59.915 -0.000) 59.915 6.442 ( 0.000 -6.252 0.000) 6.252 6.960 ( 0.000 -5.290 0.000) 5.290 7.222 ( -0.000 52.796 -0.000) 52.796 7.880 ( -0.000 22.949 -0.000) 22.949 8.080 ( -0.000 5.983 -0.000) 5.983 8.651 ( 0.000 -6.718 0.000) 6.718 9.219 ( -0.000 3.382 -0.000) 3.382 9.352 ( 0.000 -7.149 0.000) 7.149 9.900 ( -0.000 4.373 -0.000) 4.373 11.359 ( 0.000 -2.510 0.000) 2.510 11.367 ( -0.000 1.737 -0.000) 1.737 11.930 ( -0.000 51.780 -0.000) 51.780 12.026 ( -0.000 15.566 -0.000) 15.566 12.126 ( -0.000 16.274 -0.000) 16.274 12.240 ( -0.000 24.201 -0.000) 24.201 12.350 ( -0.000 1.789 -0.000) 1.789 12.353 ( -0.000 19.422 -0.000) 19.422 13.298 ( -0.000 1.837 -0.000) 1.837 13.501 ( 0.000 -14.636 0.000) 14.636 13.524 ( 0.000 -45.655 0.000) 45.655 13.699 ( 0.000 -41.223 0.000) 41.223 14.386 ( -0.000 0.842 -0.000) 0.842 14.993 ( 0.000 -5.481 0.000) 5.481 15.262 ( 0.000 -20.164 0.000) 20.164 15.736 ( -0.000 10.848 -0.000) 10.848 15.856 ( 0.000 -5.893 0.000) 5.893 16.510 ( 0.000 -29.870 0.000) 29.870 17.452 ( -0.000 4.869 -0.000) 4.869 17.483 ( 0.000 -10.721 0.000) 10.721 17.816 ( -0.000 2.841 -0.000) 2.841 18.024 ( 0.000 -0.162 0.000) 0.162 18.058 ( 0.000 -2.880 0.000) 2.880 18.398 ( -0.000 0.747 -0.000) 0.747 18.639 ( 0.000 -5.587 0.000) 5.587 19.372 ( -0.000 5.747 -0.000) 5.747 19.748 ( -0.000 11.969 -0.000) 11.969 21.792 ( -0.000 4.869 -0.000) 4.869 22.668 ( 0.000 -2.187 0.000) 2.187 23.040 ( -0.000 18.721 -0.000) 18.721 25.356 ( 0.000 -15.275 0.000) 15.275 ======================= Grid point 218 (139/175) ======================= q-point: (-0.44 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.886 ( -0.000 -10.480 -39.694) 41.054 5.274 ( -0.000 -12.155 -54.591) 55.927 6.373 ( -0.000 13.291 0.807) 13.316 7.079 ( -0.000 30.602 -4.915) 30.994 7.352 ( -0.000 24.869 -10.697) 27.073 8.293 ( -0.000 -28.387 -38.770) 48.052 8.565 ( -0.000 12.676 -3.324) 13.105 8.577 ( -0.000 -25.427 -9.343) 27.089 9.269 ( -0.000 11.588 -8.516) 14.380 9.728 ( -0.000 -13.651 -6.936) 15.312 10.308 ( 0.000 -6.493 5.651) 8.608 10.668 ( 0.000 -32.971 -0.323) 32.973 11.007 ( 0.000 -26.632 -0.935) 26.648 11.273 ( 0.000 -14.956 5.957) 16.099 11.338 ( -0.000 -1.844 -2.618) 3.203 12.302 ( -0.000 11.533 -1.200) 11.595 12.626 ( 0.000 22.090 16.508) 27.577 12.701 ( -0.000 -5.909 -14.940) 16.066 13.042 ( -0.000 8.505 -11.798) 14.544 13.331 ( -0.000 3.888 -10.270) 10.981 13.377 ( 0.000 -4.861 17.443) 18.108 13.702 ( 0.000 16.910 6.055) 17.962 14.319 ( -0.000 -2.961 -5.712) 6.434 14.505 ( -0.000 4.914 -8.122) 9.493 14.620 ( 0.000 1.514 25.642) 25.686 14.834 ( -0.000 1.325 -6.933) 7.059 15.241 ( -0.000 2.226 -6.067) 6.462 15.792 ( 0.000 -10.146 27.567) 29.374 16.226 ( 0.000 9.986 7.590) 12.543 17.306 ( 0.000 5.693 13.217) 14.391 17.426 ( 0.000 -5.104 1.110) 5.223 17.517 ( -0.000 -12.457 -8.556) 15.112 17.944 ( -0.000 10.319 -1.251) 10.395 18.084 ( 0.000 -0.576 1.196) 1.327 18.161 ( -0.000 -4.179 -4.354) 6.035 18.797 ( -0.000 10.780 -3.416) 11.309 20.072 ( -0.000 8.203 -0.696) 8.232 20.772 ( -0.000 22.746 -7.332) 23.899 21.237 ( 0.000 -11.767 -0.611) 11.783 22.514 ( 0.000 -16.288 7.434) 17.904 23.440 ( -0.000 -1.300 -15.145) 15.201 25.000 ( 0.000 0.066 16.964) 16.964 ======================= Grid point 219 (140/175) ======================= q-point: (-0.44 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.813 ( 7.223 -2.548 -49.403) 49.993 5.170 ( 10.863 -13.660 -46.256) 49.439 6.656 ( 10.165 2.489 -1.936) 10.642 7.407 ( -9.790 -1.567 -1.055) 9.971 7.737 ( -1.912 22.543 -14.136) 26.677 7.992 ( 15.592 -16.064 -54.278) 58.713 8.337 ( -2.555 5.754 -11.032) 12.702 8.660 ( -4.888 12.800 2.914) 14.008 9.351 ( -4.753 -17.982 0.845) 18.619 9.608 ( -6.090 1.542 -12.936) 14.381 9.861 ( -13.560 -9.546 -10.196) 19.467 10.493 ( 21.178 0.802 5.207) 21.823 10.603 ( 7.730 -12.602 -1.186) 14.831 11.210 ( 24.302 -17.994 0.352) 30.240 11.436 ( 12.656 -3.916 0.166) 13.249 12.396 ( -4.948 2.730 -12.011) 13.274 12.488 ( -6.340 -4.102 -9.614) 12.225 12.761 ( -4.647 -1.224 15.833) 16.547 13.040 ( -19.277 -3.889 21.525) 29.156 13.239 ( -9.846 6.422 -27.579) 29.980 13.556 ( -2.288 10.388 0.438) 10.646 13.882 ( -4.749 15.269 11.711) 19.820 14.151 ( -3.232 -1.265 3.760) 5.117 14.673 ( 8.977 1.402 -15.907) 18.319 14.810 ( 7.405 3.996 27.788) 29.034 14.873 ( 1.535 0.124 -6.675) 6.850 15.249 ( -0.913 -2.635 11.133) 11.477 15.665 ( 3.114 -5.613 8.109) 10.342 16.340 ( -3.723 5.386 9.505) 11.542 16.985 ( -12.622 -9.583 -0.492) 15.856 17.498 ( -0.273 7.739 5.173) 9.313 17.558 ( 10.813 -3.036 3.573) 11.785 18.035 ( -6.868 3.131 -5.322) 9.235 18.139 ( 0.313 1.895 8.852) 9.058 18.203 ( 7.481 1.586 -8.676) 11.565 18.795 ( -9.617 2.554 1.936) 10.137 20.381 ( 16.488 3.654 -6.487) 18.091 21.057 ( 0.137 -5.939 1.157) 6.052 21.173 ( -1.913 18.984 -6.232) 20.072 22.234 ( 2.896 -13.416 5.356) 14.733 23.352 ( -0.365 -5.664 -12.460) 13.692 24.945 ( -8.081 2.322 16.681) 18.680 ======================= Grid point 221 (141/175) ======================= q-point: ( 0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.923 ( 25.188 42.433 -0.000) 49.345 6.094 ( 3.875 53.406 -0.000) 53.546 6.519 ( 14.809 -1.822 0.000) 14.921 6.909 ( 6.586 -5.629 0.000) 8.664 7.451 ( -1.764 -5.313 0.000) 5.598 8.150 ( -12.512 5.744 -0.000) 13.768 8.597 ( 7.981 -7.351 0.000) 10.850 8.881 ( 1.577 46.129 -0.000) 46.156 9.320 ( 12.546 -3.955 0.000) 13.154 9.339 ( 4.423 2.928 -0.000) 5.305 9.987 ( -3.893 16.111 -0.000) 16.575 11.174 ( -8.982 -4.837 -0.000) 10.202 11.484 ( 9.729 0.935 0.000) 9.774 11.939 ( -5.232 -6.790 0.000) 8.572 12.088 ( -9.754 -0.420 -0.000) 9.763 12.235 ( -13.590 4.365 -0.000) 14.273 12.551 ( -12.548 1.856 -0.000) 12.684 12.660 ( -12.744 -12.037 0.000) 17.530 12.914 ( 12.368 -6.778 0.000) 14.104 12.980 ( 6.008 -9.852 0.000) 11.539 13.131 ( 20.903 24.753 -0.000) 32.399 13.214 ( -12.441 -4.915 -0.000) 13.377 13.472 ( 17.366 -7.358 0.000) 18.861 14.521 ( 7.772 8.324 -0.000) 11.388 14.763 ( -6.318 -10.299 0.000) 12.083 14.939 ( -6.539 -1.306 -0.000) 6.668 15.532 ( -13.912 -9.207 0.000) 16.682 15.956 ( 1.484 10.352 -0.000) 10.458 16.124 ( 8.918 -20.962 0.000) 22.780 17.250 ( -0.057 -11.988 0.000) 11.988 17.435 ( -6.679 2.548 -0.000) 7.148 17.748 ( -6.223 0.275 -0.000) 6.229 17.983 ( -4.064 1.103 -0.000) 4.211 18.084 ( 4.773 -2.762 0.000) 5.514 18.501 ( 3.078 1.178 0.000) 3.296 18.673 ( 18.294 -11.984 0.000) 21.870 19.630 ( 8.162 13.528 -0.000) 15.800 20.014 ( -3.507 18.996 -0.000) 19.317 21.843 ( 2.415 -0.503 0.000) 2.466 22.476 ( -8.967 -9.002 0.000) 12.706 23.436 ( 1.985 18.658 -0.000) 18.763 24.950 ( -8.619 -16.399 0.000) 18.526 ======================= Grid point 222 (142/175) ======================= q-point: ( 0.22 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.189 ( 29.066 28.686 -0.000) 40.838 6.771 ( 0.450 3.528 -0.000) 3.557 6.920 ( -2.728 -4.714 0.000) 5.447 7.001 ( -2.768 30.227 -0.000) 30.354 7.411 ( 17.532 -6.077 0.000) 18.556 7.883 ( -6.176 2.933 -0.000) 6.837 8.578 ( 12.482 -18.602 0.000) 22.402 8.788 ( -15.537 -16.585 0.000) 22.726 9.670 ( 1.009 4.354 -0.000) 4.469 9.702 ( 12.620 12.717 -0.000) 17.916 10.617 ( 5.747 38.248 -0.000) 38.677 10.932 ( -10.238 1.343 -0.000) 10.326 11.616 ( -3.008 -8.297 0.000) 8.826 11.626 ( -0.006 -18.717 0.000) 18.717 11.935 ( -5.142 -4.215 0.000) 6.649 11.942 ( 8.570 -14.582 0.000) 16.914 12.256 ( 8.731 -4.560 0.000) 9.850 12.289 ( -33.193 -18.163 -0.000) 37.838 12.473 ( -21.433 20.003 -0.000) 29.317 12.538 ( -0.011 -14.733 0.000) 14.733 13.567 ( 9.863 -10.113 0.000) 14.127 13.598 ( 11.817 6.051 0.000) 13.276 14.036 ( 16.471 24.197 -0.000) 29.272 14.467 ( -6.822 -4.105 -0.000) 7.962 14.793 ( -1.911 6.870 -0.000) 7.131 15.120 ( -5.451 -13.522 0.000) 14.579 15.183 ( 12.864 19.953 -0.000) 23.740 15.814 ( -6.953 -14.669 0.000) 16.234 16.224 ( 3.172 12.979 -0.000) 13.361 16.914 ( -14.863 -8.610 -0.000) 17.177 17.440 ( 5.322 -1.240 0.000) 5.464 17.566 ( -3.393 -8.976 0.000) 9.596 17.962 ( 0.040 -0.263 0.000) 0.266 18.102 ( 2.676 -4.634 0.000) 5.351 18.546 ( 1.773 2.064 -0.000) 2.721 18.816 ( 19.204 -11.837 0.000) 22.559 20.153 ( 8.996 19.506 -0.000) 21.481 20.336 ( -5.880 23.232 -0.000) 23.965 21.938 ( 11.242 -1.557 0.000) 11.349 22.017 ( -14.192 -12.082 0.000) 18.639 23.795 ( 0.456 15.028 -0.000) 15.035 24.408 ( -12.836 -17.697 0.000) 21.862 ======================= Grid point 223 (143/175) ======================= q-point: (-0.44 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.087 ( 4.799 0.000 -42.757) 43.025 5.113 ( 16.555 0.000 -52.135) 54.700 6.765 ( -3.681 0.000 -6.396) 7.380 7.061 ( -20.478 -0.000 10.584) 23.052 7.638 ( -20.564 0.000 -19.623) 28.424 8.316 ( 15.104 0.000 -8.697) 17.429 8.528 ( 26.503 0.000 -52.964) 59.225 8.888 ( -5.652 -0.000 7.382) 9.297 9.106 ( 15.661 -0.000 11.046) 19.164 9.377 ( -5.081 0.000 -14.949) 15.789 9.694 ( 0.427 0.000 -1.660) 1.714 10.516 ( 5.053 0.000 -0.130) 5.055 11.294 ( 16.753 0.000 2.479) 16.936 11.504 ( 36.852 0.000 -6.513) 37.423 11.666 ( 12.973 -0.000 5.010) 13.907 12.159 ( -14.417 0.000 -2.739) 14.675 12.403 ( -21.954 -0.000 11.248) 24.668 12.510 ( 4.641 0.000 -7.170) 8.541 12.581 ( -20.960 -0.000 13.626) 25.000 13.050 ( -14.944 0.000 -15.288) 21.378 13.417 ( -5.890 0.000 -4.523) 7.426 14.110 ( -1.928 -0.000 26.531) 26.600 14.204 ( 4.525 0.000 -11.111) 11.997 14.692 ( -5.877 -0.000 9.225) 10.938 14.876 ( 7.013 0.000 -27.743) 28.616 15.024 ( 4.760 -0.000 9.491) 10.617 15.293 ( 5.665 -0.000 20.472) 21.242 15.571 ( -6.667 -0.000 1.174) 6.770 16.325 ( -1.957 -0.000 5.092) 5.455 16.697 ( -7.199 -0.000 -0.098) 7.200 17.510 ( -4.830 0.000 -4.766) 6.786 17.665 ( -11.513 -0.000 3.776) 12.116 17.902 ( 1.449 0.000 -1.163) 1.858 18.049 ( -7.153 -0.000 14.527) 16.192 18.428 ( 12.078 0.000 -7.780) 14.367 18.806 ( 10.051 -0.000 9.408) 13.767 20.706 ( 11.260 0.000 -11.235) 15.907 21.011 ( 0.502 -0.000 3.002) 3.044 21.364 ( -2.012 0.000 -3.864) 4.357 22.144 ( 3.582 0.000 -4.552) 5.792 23.311 ( 3.686 0.000 -1.973) 4.181 24.766 ( -12.673 -0.000 12.795) 18.008 ======================= Grid point 226 (144/175) ======================= q-point: ( 0.22 -0.22 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.218 ( -34.470 -21.505 0.000) 40.628 6.557 ( -19.127 -0.138 -0.000) 19.128 7.006 ( 8.150 6.783 -0.000) 10.603 7.310 ( 7.226 6.101 -0.000) 9.457 7.829 ( 19.519 -2.371 0.000) 19.662 8.145 ( -5.188 1.001 -0.000) 5.284 8.221 ( 0.997 -9.954 0.000) 10.004 8.487 ( 12.652 2.738 0.000) 12.945 9.633 ( 0.677 -2.033 0.000) 2.143 9.969 ( -2.258 -4.649 0.000) 5.169 10.709 ( -48.143 -15.425 -0.000) 50.554 10.992 ( -5.658 6.898 -0.000) 8.922 11.002 ( -3.440 -12.166 0.000) 12.643 11.382 ( 4.366 -14.312 0.000) 14.963 11.426 ( 2.357 11.265 -0.000) 11.509 12.149 ( 7.755 8.038 -0.000) 11.170 12.183 ( -2.027 15.003 -0.000) 15.139 12.260 ( -8.527 6.289 -0.000) 10.596 12.496 ( 18.440 -9.204 0.000) 20.609 12.969 ( 22.356 19.782 -0.000) 29.851 13.461 ( 5.190 -12.952 0.000) 13.953 13.503 ( -4.212 -18.209 0.000) 18.690 14.333 ( -10.188 -1.689 -0.000) 10.327 14.671 ( 16.764 5.510 0.000) 17.646 14.849 ( -0.465 -6.377 0.000) 6.394 14.916 ( -4.300 15.860 -0.000) 16.433 15.332 ( -16.890 -7.527 -0.000) 18.491 15.861 ( 15.880 18.150 -0.000) 24.116 16.434 ( -16.888 -4.310 -0.000) 17.429 16.518 ( -3.523 13.609 -0.000) 14.058 17.343 ( 5.522 -13.227 0.000) 14.334 17.470 ( 3.649 -7.356 0.000) 8.211 17.909 ( -6.934 -12.061 0.000) 13.912 17.918 ( 2.958 -5.743 0.000) 6.460 18.761 ( 8.604 8.331 -0.000) 11.976 18.970 ( 16.933 -8.547 0.000) 18.968 20.617 ( 1.867 16.003 -0.000) 16.111 20.655 ( -9.069 23.747 -0.000) 25.420 21.575 ( -10.140 -6.520 0.000) 12.055 22.271 ( 21.382 2.386 0.000) 21.515 23.770 ( -15.192 -19.065 0.000) 24.378 24.009 ( -2.812 8.914 -0.000) 9.347 ======================= Grid point 230 (145/175) ======================= q-point: ( 0.22 -0.22 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.003 ( -43.622 -21.038 -0.000) 48.430 5.899 ( -46.652 -1.498 -0.000) 46.676 6.933 ( 1.863 -8.844 0.000) 9.038 7.554 ( 3.243 5.484 -0.000) 6.371 7.829 ( -3.779 -11.973 0.000) 12.555 8.044 ( 18.806 -5.547 0.000) 19.607 8.416 ( 3.520 5.035 -0.000) 6.143 8.675 ( -34.281 6.659 -0.000) 34.922 9.371 ( -21.397 -15.055 0.000) 26.163 9.680 ( -15.520 -3.692 -0.000) 15.953 9.759 ( 11.529 -0.620 0.000) 11.546 10.790 ( 0.851 1.359 -0.000) 1.604 11.064 ( 3.590 -6.501 0.000) 7.426 11.491 ( -6.180 18.910 -0.000) 19.894 11.614 ( 2.932 -1.674 0.000) 3.376 12.045 ( -23.023 11.937 -0.000) 25.933 12.358 ( -8.646 12.042 -0.000) 14.825 12.546 ( 3.700 -26.565 0.000) 26.822 12.550 ( 10.767 -4.351 0.000) 11.612 13.125 ( 7.806 -9.952 0.000) 12.648 13.268 ( 8.547 4.684 0.000) 9.746 13.927 ( -2.378 -21.959 0.000) 22.088 13.978 ( 23.780 17.545 -0.000) 29.552 14.636 ( -19.477 7.439 -0.000) 20.850 14.909 ( 13.057 -6.742 0.000) 14.695 15.030 ( -6.135 -4.569 0.000) 7.650 15.313 ( 6.705 19.837 -0.000) 20.939 16.287 ( -0.652 10.506 -0.000) 10.527 16.408 ( 7.914 2.365 0.000) 8.260 16.535 ( -8.708 11.323 -0.000) 14.284 17.226 ( 2.425 -14.721 0.000) 14.920 17.261 ( -1.318 -14.887 0.000) 14.945 17.573 ( 2.611 -5.717 0.000) 6.285 17.942 ( 6.757 -2.283 0.000) 7.132 19.087 ( 9.155 5.004 0.000) 10.433 19.148 ( 13.800 -4.445 0.000) 14.498 20.845 ( -14.811 17.922 -0.000) 23.250 20.873 ( -0.408 10.264 -0.000) 10.272 21.373 ( -4.204 -1.293 -0.000) 4.398 22.777 ( 20.828 3.839 0.000) 21.179 23.124 ( -15.119 -14.863 0.000) 21.202 24.026 ( -5.528 1.791 -0.000) 5.811 ======================= Grid point 231 (146/175) ======================= q-point: ( 0.22 -0.22 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 3.841 ( -49.168 -0.000 -0.000) 49.168 4.825 ( -56.886 -0.000 -0.000) 56.886 6.922 ( 3.646 0.000 0.000) 3.646 7.230 ( -63.278 -0.000 -0.000) 63.278 7.633 ( -3.339 -0.000 -0.000) 3.339 7.797 ( -17.913 -0.000 -0.000) 17.913 8.375 ( 18.811 0.000 0.000) 18.811 8.457 ( 1.931 0.000 0.000) 1.931 9.137 ( -0.486 -0.000 -0.000) 0.486 9.540 ( -1.884 -0.000 -0.000) 1.884 9.878 ( 0.314 0.000 0.000) 0.314 11.023 ( -1.806 -0.000 -0.000) 1.806 11.052 ( 11.236 0.000 0.000) 11.236 11.422 ( -31.036 -0.000 -0.000) 31.036 11.439 ( -12.185 -0.000 -0.000) 12.185 11.800 ( -15.216 -0.000 -0.000) 15.216 12.086 ( -2.720 -0.000 -0.000) 2.720 12.171 ( -19.710 -0.000 -0.000) 19.710 12.289 ( -17.322 -0.000 -0.000) 17.322 13.450 ( -20.641 -0.000 -0.000) 20.641 13.525 ( 32.287 0.000 0.000) 32.287 13.793 ( 31.501 0.000 0.000) 31.501 14.495 ( 6.844 0.000 0.000) 6.844 14.651 ( 6.987 0.000 0.000) 6.987 14.768 ( -10.252 -0.000 -0.000) 10.252 14.979 ( 2.832 0.000 0.000) 2.832 15.876 ( 24.349 0.000 0.000) 24.349 16.238 ( -3.534 -0.000 -0.000) 3.534 16.677 ( 0.982 0.000 0.000) 0.982 16.688 ( 16.011 0.000 0.000) 16.011 16.960 ( -4.716 -0.000 -0.000) 4.716 17.178 ( 9.722 0.000 0.000) 9.722 17.683 ( 8.634 0.000 0.000) 8.634 18.040 ( 5.162 0.000 0.000) 5.162 19.288 ( 6.941 0.000 0.000) 6.941 19.327 ( 8.401 0.000 0.000) 8.401 20.675 ( -21.164 -0.000 -0.000) 21.164 21.002 ( 1.293 0.000 0.000) 1.293 21.308 ( -2.076 -0.000 -0.000) 2.076 22.689 ( -13.183 -0.000 -0.000) 13.183 23.110 ( 5.769 0.000 0.000) 5.769 23.946 ( 0.457 0.000 0.000) 0.457 ======================= Grid point 243 (147/175) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( -0.000 0.000 -53.758) 53.758 3.862 ( -0.000 0.000 -56.877) 56.877 5.777 ( -0.000 0.000 -89.291) 89.291 6.612 ( 0.000 -0.000 2.348) 2.348 7.600 ( 0.000 -0.000 1.860) 1.860 7.670 ( -0.000 0.000 -22.009) 22.009 8.382 ( 0.000 -0.000 2.373) 2.373 8.885 ( 0.000 -0.000 7.469) 7.469 9.348 ( 0.000 -0.000 2.085) 2.085 9.594 ( -0.000 0.000 -13.541) 13.541 9.713 ( -0.000 0.000 -11.802) 11.802 10.195 ( 0.000 -0.000 5.063) 5.063 10.286 ( -0.000 0.000 -14.421) 14.421 10.478 ( 0.000 -0.000 4.169) 4.169 11.287 ( -0.000 0.000 -0.080) 0.080 12.108 ( -0.000 0.000 -24.833) 24.833 12.381 ( -0.000 0.000 -6.238) 6.238 12.618 ( -0.000 0.000 -25.527) 25.527 12.705 ( -0.000 0.000 -34.939) 34.939 13.174 ( -0.000 0.000 -20.716) 20.716 13.622 ( 0.000 -0.000 10.847) 10.847 14.246 ( -0.000 0.000 -14.468) 14.468 14.486 ( 0.000 -0.000 18.562) 18.562 14.767 ( 0.000 -0.000 3.148) 3.148 14.942 ( 0.000 -0.000 23.919) 23.919 15.422 ( 0.000 -0.000 35.642) 35.642 15.617 ( 0.000 -0.000 10.949) 10.949 15.775 ( 0.000 -0.000 33.299) 33.299 16.667 ( 0.000 -0.000 10.159) 10.159 17.071 ( -0.000 0.000 -0.664) 0.664 17.309 ( 0.000 -0.000 0.228) 0.228 17.826 ( 0.000 -0.000 7.142) 7.142 17.881 ( -0.000 0.000 -1.146) 1.146 18.081 ( -0.000 0.000 -0.333) 0.333 18.390 ( 0.000 -0.000 4.138) 4.138 18.908 ( -0.000 0.000 -8.050) 8.050 20.065 ( -0.000 0.000 -5.185) 5.185 21.064 ( 0.000 -0.000 2.561) 2.561 21.316 ( -0.000 0.000 -4.429) 4.429 21.979 ( -0.000 0.000 -9.144) 9.144 23.053 ( -0.000 0.000 -9.368) 9.368 25.420 ( 0.000 -0.000 17.093) 17.093 ======================= Grid point 245 (148/175) ======================= q-point: ( 0.42 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.415 ( -0.000 20.214 -2.377) 20.354 6.155 ( -0.000 10.621 -19.178) 21.923 6.545 ( -0.000 1.720 -46.729) 46.761 6.762 ( -0.000 6.504 -1.090) 6.595 6.985 ( -0.000 30.053 -14.469) 33.355 8.458 ( -0.000 14.997 -11.732) 19.041 8.657 ( 0.000 -21.774 25.580) 33.593 9.038 ( -0.000 -0.663 -4.065) 4.118 9.457 ( -0.000 2.778 -6.857) 7.398 9.785 ( 0.000 4.549 31.392) 31.720 10.447 ( -0.000 17.198 -2.702) 17.409 11.164 ( -0.000 -16.399 -17.953) 24.315 11.318 ( 0.000 -8.707 -0.218) 8.710 11.430 ( 0.000 -25.080 -0.564) 25.086 11.610 ( 0.000 2.131 11.849) 12.039 11.845 ( -0.000 -28.744 -16.101) 32.946 12.508 ( -0.000 10.589 -10.225) 14.720 12.945 ( -0.000 4.043 -1.874) 4.456 12.950 ( 0.000 -12.387 22.030) 25.273 13.167 ( 0.000 1.316 6.335) 6.470 13.265 ( -0.000 19.244 -3.157) 19.502 13.361 ( 0.000 3.251 3.688) 4.916 13.904 ( -0.000 31.902 7.740) 32.827 14.517 ( -0.000 8.686 -5.381) 10.218 14.625 ( 0.000 -14.925 5.164) 15.794 14.928 ( -0.000 0.860 -4.276) 4.362 15.329 ( 0.000 -22.427 7.781) 23.739 15.888 ( -0.000 -0.780 -16.491) 16.510 15.943 ( 0.000 7.640 2.577) 8.063 17.039 ( 0.000 -9.074 12.094) 15.119 17.494 ( 0.000 -3.342 0.680) 3.410 17.728 ( -0.000 1.066 -4.530) 4.654 18.053 ( 0.000 -0.309 2.459) 2.479 18.106 ( -0.000 -10.727 -10.106) 14.738 18.242 ( 0.000 1.264 2.092) 2.444 18.618 ( -0.000 11.047 -1.174) 11.109 19.825 ( -0.000 12.918 3.034) 13.270 20.434 ( -0.000 22.038 -2.356) 22.164 21.564 ( -0.000 -10.859 -7.755) 13.344 22.551 ( 0.000 -13.584 15.140) 20.341 23.648 ( -0.000 13.698 -12.603) 18.614 24.809 ( 0.000 -12.576 10.122) 16.144 ======================= Grid point 246 (149/175) ======================= q-point: (-0.58 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.736 ( 17.888 -2.267 -26.017) 31.654 6.277 ( -1.416 -8.911 -35.518) 36.646 6.644 ( 15.291 8.037 -12.364) 21.243 7.233 ( 11.480 21.655 0.800) 24.523 7.475 ( -7.407 6.930 -0.609) 10.161 8.229 ( -3.319 0.611 9.673) 10.245 8.482 ( -18.122 13.431 -9.772) 24.583 9.001 ( -10.743 -9.169 -5.735) 15.244 9.649 ( 7.355 9.669 -7.907) 14.495 9.857 ( 1.194 4.337 17.194) 17.773 10.310 ( 6.741 -24.331 -43.487) 50.285 10.820 ( -4.516 -15.814 -11.988) 20.352 10.985 ( 7.345 -22.980 -0.986) 24.145 11.219 ( 6.208 -4.787 6.743) 10.340 11.541 ( 7.468 -10.350 1.825) 12.893 12.072 ( 12.673 20.344 20.376) 31.459 12.512 ( -1.467 -1.727 9.476) 9.743 12.643 ( -17.192 -8.344 8.778) 21.029 12.821 ( -18.498 -1.354 6.883) 19.783 13.084 ( 0.117 2.744 9.560) 9.947 13.498 ( -9.414 11.636 -11.684) 18.988 13.557 ( -1.102 9.299 0.997) 9.417 14.256 ( -2.464 -1.668 4.034) 5.013 14.440 ( 4.204 7.650 -2.797) 9.166 14.758 ( 6.212 -3.308 1.622) 7.223 14.933 ( 0.396 2.756 -1.571) 3.197 15.213 ( 15.049 -0.079 5.874) 16.155 15.798 ( -6.845 -1.018 -14.847) 16.380 16.118 ( 2.922 3.571 -2.892) 5.445 17.003 ( 5.666 -1.032 19.790) 20.611 17.282 ( -11.225 -4.800 -6.481) 13.822 17.642 ( 1.643 -8.110 6.853) 10.744 17.968 ( -1.155 1.105 -1.784) 2.395 18.159 ( 0.712 -1.090 -4.938) 5.107 18.314 ( 4.068 4.967 -4.965) 8.116 18.682 ( -7.834 3.739 2.219) 8.959 20.267 ( 14.711 15.183 -1.063) 21.168 20.853 ( -2.745 23.165 -3.163) 23.541 21.357 ( 3.979 -13.697 -9.399) 17.082 22.235 ( -0.654 -14.504 17.902) 23.049 23.779 ( -2.681 -0.034 -18.770) 18.960 24.572 ( -6.590 -3.043 17.290) 18.751 ======================= Grid point 250 (150/175) ======================= q-point: (-0.58 -0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.930 ( -0.259 -5.119 -39.829) 40.157 6.208 ( 19.163 -9.807 -30.331) 37.193 6.921 ( -11.695 -7.694 3.483) 14.425 6.955 ( -2.288 -4.660 -1.919) 5.535 7.907 ( -8.343 15.278 -15.269) 23.156 8.157 ( -4.149 6.150 14.230) 16.048 8.586 ( -6.873 3.641 5.219) 9.367 8.817 ( 3.389 19.497 -4.319) 20.256 9.547 ( -1.587 -15.437 3.358) 15.877 9.730 ( -8.221 -10.590 -9.326) 16.331 10.203 ( 17.514 -8.158 -48.315) 52.035 10.687 ( 6.607 -10.319 -5.967) 13.629 11.062 ( 6.556 -3.056 4.962) 8.772 11.404 ( 17.702 11.010 7.165) 22.044 11.572 ( 6.779 0.576 5.700) 8.875 11.854 ( -27.897 -9.390 20.161) 35.678 12.366 ( 11.484 -11.618 20.250) 26.018 12.597 ( -3.880 6.116 -8.542) 11.199 12.698 ( -4.093 3.480 -7.174) 8.963 13.234 ( -17.281 9.514 -2.221) 19.852 13.329 ( -1.356 5.663 10.183) 11.731 13.500 ( -2.928 -3.621 11.531) 12.435 14.223 ( -1.466 -2.178 5.155) 5.785 14.630 ( 3.035 -1.031 1.745) 3.650 14.727 ( 6.829 -0.944 3.389) 7.682 15.173 ( 3.378 11.464 -6.086) 13.411 15.549 ( 12.383 -1.960 -15.269) 19.757 15.584 ( -10.016 -1.477 -7.046) 12.335 16.195 ( 2.487 2.130 -0.805) 3.372 16.905 ( -5.104 -10.936 -8.787) 14.929 17.232 ( -1.744 14.405 16.551) 22.011 17.560 ( -2.541 -2.416 7.138) 7.953 17.862 ( -3.925 -8.340 8.032) 12.226 17.977 ( -14.665 -0.308 -4.769) 15.424 18.577 ( 13.656 2.285 -1.616) 13.939 18.679 ( 6.508 -0.290 -0.337) 6.523 20.788 ( 7.267 11.898 -3.264) 14.319 21.141 ( -2.439 3.658 -8.318) 9.408 21.259 ( 2.680 4.840 -8.946) 10.519 22.122 ( 13.100 -8.190 18.576) 24.161 23.539 ( -8.249 -9.707 -11.810) 17.371 24.454 ( -8.748 4.262 13.035) 16.266 ======================= Grid point 254 (151/175) ======================= q-point: (-0.58 -0.25 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.550 ( -27.773 0.000 -10.356) 29.640 6.458 ( -5.973 0.000 -47.458) 47.832 6.624 ( -3.671 0.000 -6.137) 7.151 6.646 ( -8.593 0.000 -12.451) 15.128 7.678 ( -13.440 0.000 -15.922) 20.836 8.364 ( 15.428 -0.000 31.472) 35.050 8.661 ( -2.884 -0.000 6.922) 7.499 9.152 ( -1.259 0.000 -16.522) 16.570 9.407 ( 15.109 0.000 0.148) 15.110 9.486 ( -6.206 -0.000 12.753) 14.182 10.262 ( -27.725 0.000 -10.606) 29.684 10.741 ( 8.544 0.000 -6.201) 10.557 10.844 ( 8.789 -0.000 2.462) 9.127 11.497 ( 1.646 -0.000 11.190) 11.310 11.683 ( 4.352 -0.000 8.432) 9.489 12.119 ( 11.682 0.000 -0.772) 11.707 12.316 ( 3.786 -0.000 3.435) 5.113 12.435 ( -12.639 0.000 -17.039) 21.215 12.735 ( -26.230 -0.000 -0.326) 26.232 12.960 ( 21.452 0.000 -10.594) 23.926 13.180 ( -6.748 -0.000 10.127) 12.169 13.852 ( 17.544 -0.000 12.197) 21.367 14.062 ( -9.716 -0.000 18.412) 20.818 14.631 ( 8.050 -0.000 8.181) 11.477 14.913 ( 3.033 0.000 -5.499) 6.280 15.215 ( -21.060 -0.000 3.431) 21.338 15.372 ( 3.189 0.000 -6.286) 7.049 15.726 ( 8.920 0.000 -35.071) 36.187 16.345 ( 5.110 0.000 0.060) 5.110 16.684 ( -5.798 0.000 -10.072) 11.622 17.342 ( -13.006 -0.000 0.983) 13.043 17.451 ( -0.545 -0.000 3.967) 4.005 17.496 ( -8.122 -0.000 23.019) 24.410 17.898 ( 4.517 -0.000 5.500) 7.117 18.855 ( 9.345 0.000 -6.650) 11.469 18.893 ( 16.130 -0.000 4.725) 16.808 20.973 ( 0.987 -0.000 1.847) 2.094 21.089 ( -3.424 0.000 -15.066) 15.450 21.382 ( -2.534 0.000 -2.137) 3.315 22.342 ( 14.580 0.000 -0.035) 14.580 23.287 ( -4.025 -0.000 4.794) 6.260 24.314 ( -10.477 -0.000 7.957) 13.156 ======================= Grid point 270 (152/175) ======================= q-point: (-0.39 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.730 ( -0.000 -5.467 -44.426) 44.761 5.064 ( -0.000 -8.697 -52.261) 52.980 6.536 ( -0.000 4.845 0.292) 4.854 7.508 ( -0.000 -4.642 -11.887) 12.761 7.721 ( -0.000 32.529 -10.253) 34.107 7.836 ( -0.000 -21.801 -58.108) 62.063 8.380 ( -0.000 9.555 -9.277) 13.318 8.741 ( -0.000 2.554 0.424) 2.588 9.434 ( 0.000 -11.736 0.603) 11.752 9.680 ( -0.000 22.289 -15.334) 27.054 10.074 ( -0.000 -16.802 -19.701) 25.892 10.190 ( 0.000 -13.443 16.237) 21.080 10.576 ( 0.000 -16.225 1.101) 16.262 10.867 ( 0.000 -24.539 -2.803) 24.699 11.305 ( -0.000 -1.404 -0.789) 1.611 12.432 ( -0.000 3.001 -5.257) 6.054 12.608 ( -0.000 -3.437 -18.187) 18.509 12.767 ( 0.000 -0.060 15.546) 15.546 13.277 ( 0.000 -4.285 23.080) 23.474 13.352 ( -0.000 9.716 -28.184) 29.812 13.508 ( -0.000 15.489 -5.080) 16.301 13.992 ( 0.000 11.822 9.419) 15.116 14.220 ( 0.000 -1.015 8.093) 8.156 14.562 ( -0.000 0.900 -12.265) 12.298 14.671 ( 0.000 1.331 30.241) 30.270 14.863 ( -0.000 1.347 -7.745) 7.861 15.266 ( 0.000 -3.754 16.099) 16.531 15.625 ( 0.000 -3.868 5.914) 7.067 16.380 ( 0.000 5.672 10.526) 11.957 17.213 ( 0.000 -12.513 5.171) 13.540 17.341 ( 0.000 -3.367 0.041) 3.367 17.500 ( 0.000 8.149 4.651) 9.382 18.076 ( 0.000 -0.254 1.075) 1.104 18.120 ( -0.000 4.336 -9.415) 10.365 18.141 ( 0.000 3.799 3.782) 5.361 18.971 ( -0.000 6.590 -4.107) 7.765 20.168 ( -0.000 1.602 -4.048) 4.354 21.054 ( 0.000 -6.028 1.747) 6.276 21.193 ( -0.000 18.929 -6.263) 19.938 22.208 ( 0.000 -14.025 6.388) 15.412 23.357 ( -0.000 -5.811 -14.912) 16.004 25.028 ( 0.000 2.033 18.222) 18.335 ======================= Grid point 272 (153/175) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.658 ( -0.000 45.213 -0.000) 45.213 6.055 ( -0.000 55.558 -0.000) 55.558 6.355 ( 0.000 -1.778 0.000) 1.778 6.831 ( 0.000 -7.009 0.000) 7.009 7.486 ( 0.000 -4.522 0.000) 4.522 8.314 ( -0.000 16.835 -0.000) 16.835 8.513 ( 0.000 -9.633 0.000) 9.633 8.868 ( -0.000 54.244 -0.000) 54.244 9.169 ( 0.000 -9.892 0.000) 9.892 9.287 ( -0.000 3.297 -0.000) 3.297 10.031 ( -0.000 11.981 -0.000) 11.981 11.262 ( 0.000 -6.894 0.000) 6.894 11.374 ( 0.000 -1.007 0.000) 1.007 11.926 ( 0.000 -21.209 0.000) 21.209 12.397 ( -0.000 9.208 -0.000) 9.208 12.471 ( 0.000 -5.711 0.000) 5.711 12.581 ( -0.000 19.832 -0.000) 19.832 12.585 ( 0.000 -20.363 0.000) 20.363 12.845 ( -0.000 10.416 -0.000) 10.416 12.957 ( -0.000 44.337 -0.000) 44.337 12.975 ( 0.000 -30.547 0.000) 30.547 13.217 ( 0.000 -9.729 0.000) 9.729 13.340 ( 0.000 -0.290 0.000) 0.290 14.430 ( -0.000 4.450 -0.000) 4.450 14.823 ( 0.000 -11.612 0.000) 11.612 15.011 ( 0.000 -6.011 0.000) 6.011 15.821 ( -0.000 2.253 -0.000) 2.253 15.887 ( 0.000 -33.835 0.000) 33.835 15.942 ( -0.000 10.237 -0.000) 10.237 17.223 ( 0.000 -16.350 0.000) 16.350 17.510 ( -0.000 0.866 -0.000) 0.866 17.845 ( 0.000 -0.220 0.000) 0.220 18.022 ( 0.000 -0.049 0.000) 0.049 18.068 ( -0.000 4.095 -0.000) 4.095 18.461 ( -0.000 6.102 -0.000) 6.102 18.461 ( 0.000 -11.713 0.000) 11.713 19.537 ( -0.000 11.080 -0.000) 11.080 20.049 ( -0.000 18.725 -0.000) 18.725 21.817 ( 0.000 -2.602 0.000) 2.602 22.567 ( 0.000 -8.527 0.000) 8.527 23.418 ( -0.000 20.065 -0.000) 20.065 25.038 ( 0.000 -17.455 0.000) 17.455 ======================= Grid point 273 (154/175) ======================= q-point: ( 0.28 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.650 ( 22.372 29.253 -0.000) 36.827 6.590 ( 12.678 12.012 -0.000) 17.465 6.800 ( 7.828 -3.778 0.000) 8.692 7.061 ( -0.794 42.698 -0.000) 42.706 7.288 ( -0.951 -10.838 0.000) 10.880 8.123 ( -9.928 -15.642 0.000) 18.527 8.468 ( -5.975 3.226 -0.000) 6.790 9.121 ( -16.403 -5.269 -0.000) 17.229 9.391 ( 18.636 11.419 0.000) 21.857 9.611 ( 4.854 11.218 -0.000) 12.223 10.534 ( 3.174 34.531 -0.000) 34.676 11.071 ( -4.316 -5.476 0.000) 6.972 11.452 ( 11.917 -4.315 0.000) 12.674 11.503 ( 6.733 -26.868 0.000) 27.699 11.936 ( -4.520 -25.415 0.000) 25.813 12.122 ( -8.283 -13.116 0.000) 15.513 12.167 ( 2.971 -13.963 0.000) 14.276 12.559 ( -9.939 -2.348 -0.000) 10.213 12.881 ( -16.848 11.361 -0.000) 20.321 12.903 ( -17.146 -13.416 0.000) 21.771 13.349 ( 10.776 13.266 -0.000) 17.091 13.459 ( 4.313 4.281 -0.000) 6.077 13.770 ( 5.490 33.699 -0.000) 34.143 14.554 ( -2.480 -10.041 0.000) 10.343 14.734 ( 9.617 11.818 -0.000) 15.237 15.002 ( 3.757 7.092 -0.000) 8.025 15.204 ( -2.890 -24.104 0.000) 24.277 15.899 ( -2.091 -2.950 0.000) 3.616 16.168 ( 2.199 12.266 -0.000) 12.462 16.946 ( 6.486 -18.383 0.000) 19.494 17.455 ( -3.514 -0.559 -0.000) 3.558 17.682 ( -7.513 -7.276 0.000) 10.459 18.038 ( 2.809 -2.371 0.000) 3.676 18.088 ( -9.702 9.126 -0.000) 13.320 18.447 ( 17.111 -10.296 0.000) 19.970 18.561 ( -3.562 4.612 -0.000) 5.828 19.935 ( 11.901 17.339 -0.000) 21.031 20.426 ( -3.157 23.069 -0.000) 23.284 21.757 ( 6.616 -8.144 0.000) 10.493 22.250 ( -8.728 -14.057 0.000) 16.546 23.798 ( -0.448 18.314 -0.000) 18.320 24.610 ( -7.391 -18.468 0.000) 19.891 ======================= Grid point 274 (155/175) ======================= q-point: (-0.39 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( 12.660 0.000 -48.257) 49.890 5.004 ( 3.130 0.000 -48.571) 48.672 6.674 ( 8.066 0.000 -3.062) 8.627 7.368 ( -10.800 -0.000 9.434) 14.340 7.798 ( 23.272 0.000 -68.548) 72.391 8.013 ( -14.072 0.000 -21.377) 25.593 8.474 ( -5.661 0.000 -19.103) 19.924 8.817 ( 12.521 -0.000 11.351) 16.901 9.083 ( -14.014 -0.000 7.621) 15.952 9.632 ( -18.769 0.000 -14.753) 23.873 9.715 ( -4.925 0.000 -5.466) 7.358 10.438 ( 2.887 -0.000 2.187) 3.622 10.740 ( 39.101 0.000 -5.015) 39.421 10.850 ( 25.057 0.000 -4.923) 25.536 11.409 ( 11.209 0.000 1.182) 11.271 12.411 ( -12.223 0.000 -15.728) 19.919 12.462 ( 0.909 0.000 -4.622) 4.710 12.729 ( -8.361 -0.000 15.626) 17.722 12.997 ( -18.207 -0.000 22.730) 29.123 13.329 ( -11.830 0.000 -27.833) 30.243 13.602 ( -10.365 0.000 -13.472) 16.998 14.073 ( 4.786 0.000 -1.147) 4.921 14.190 ( -5.708 -0.000 31.661) 32.172 14.703 ( 10.077 0.000 -19.102) 21.597 14.809 ( -3.755 -0.000 11.548) 12.143 14.866 ( 9.906 -0.000 18.395) 20.893 15.199 ( 3.707 -0.000 17.240) 17.634 15.625 ( -0.369 0.000 -5.072) 5.086 16.395 ( -3.837 -0.000 10.397) 11.082 16.878 ( -11.467 -0.000 0.834) 11.497 17.506 ( 8.589 0.000 -2.928) 9.074 17.608 ( 4.152 -0.000 11.411) 12.143 18.056 ( -4.656 0.000 -5.651) 7.322 18.167 ( -4.468 -0.000 12.987) 13.734 18.224 ( 8.008 0.000 -11.137) 13.717 18.820 ( -12.833 -0.000 1.922) 12.976 20.404 ( 17.760 0.000 -9.260) 20.029 21.004 ( 0.232 -0.000 3.166) 3.174 21.396 ( -1.219 0.000 -4.084) 4.263 22.074 ( 2.842 -0.000 2.598) 3.850 23.283 ( 0.034 0.000 -11.059) 11.059 24.972 ( -7.766 -0.000 16.535) 18.268 ======================= Grid point 277 (156/175) ======================= q-point: ( 0.28 0.72 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.511 ( 26.933 5.930 0.000) 27.578 6.769 ( -15.483 -12.638 0.000) 19.986 6.863 ( -3.508 -0.401 -0.000) 3.531 7.170 ( 1.420 -6.032 0.000) 6.197 7.483 ( 17.500 17.761 -0.000) 24.934 8.246 ( 10.284 13.526 -0.000) 16.992 8.321 ( -13.093 10.858 -0.000) 17.010 8.468 ( -24.023 -13.899 -0.000) 27.754 9.662 ( -2.554 -5.286 0.000) 5.870 9.924 ( 7.015 6.854 -0.000) 9.807 10.971 ( -0.722 1.019 -0.000) 1.249 10.974 ( 4.411 -7.558 0.000) 8.751 11.204 ( 10.170 -17.986 0.000) 20.662 11.442 ( -1.772 -0.032 -0.000) 1.772 11.657 ( -29.526 -20.574 0.000) 35.987 11.762 ( 21.104 -4.780 0.000) 21.639 12.059 ( 2.499 -10.059 0.000) 10.365 12.435 ( 8.327 20.072 -0.000) 21.731 12.494 ( -13.024 8.252 -0.000) 15.419 12.806 ( -11.275 14.851 -0.000) 18.646 13.406 ( -3.185 -6.073 0.000) 6.857 13.555 ( -0.984 -9.039 0.000) 9.092 14.410 ( 10.070 10.906 -0.000) 14.844 14.453 ( -0.945 -2.237 0.000) 2.428 14.818 ( 2.666 -11.605 0.000) 11.908 14.967 ( -0.558 12.695 -0.000) 12.707 15.525 ( 17.992 14.358 -0.000) 23.018 15.638 ( -14.222 -4.703 -0.000) 14.979 16.532 ( 2.605 18.979 -0.000) 19.157 16.659 ( -2.854 -16.197 0.000) 16.446 17.336 ( -4.926 -13.916 0.000) 14.762 17.423 ( 0.467 -0.627 0.000) 0.782 17.982 ( -0.915 -8.268 0.000) 8.319 18.001 ( -12.472 3.401 -0.000) 12.928 18.622 ( 17.915 -7.944 0.000) 19.597 18.632 ( 4.023 6.153 -0.000) 7.351 20.521 ( 8.450 17.706 -0.000) 19.619 20.800 ( -5.824 23.828 -0.000) 24.529 21.782 ( -10.279 -11.660 0.000) 15.544 21.850 ( 19.993 -6.934 0.000) 21.161 24.047 ( -12.586 -18.936 0.000) 22.737 24.073 ( -3.257 13.076 -0.000) 13.476 ======================= Grid point 282 (157/175) ======================= q-point: ( 0.28 -0.28 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.817 ( -38.301 -17.234 -0.000) 42.000 6.594 ( -17.548 4.191 -0.000) 18.042 6.937 ( -0.552 -10.329 0.000) 10.343 7.379 ( 13.171 2.165 0.000) 13.347 7.699 ( 8.169 -7.528 0.000) 11.108 7.954 ( -8.539 -9.683 0.000) 12.910 8.362 ( 3.220 17.325 -0.000) 17.622 8.894 ( -2.248 26.015 -0.000) 26.112 9.521 ( 9.532 -9.487 0.000) 13.448 9.758 ( -10.219 -15.909 0.000) 18.908 10.402 ( -50.931 -11.478 -0.000) 52.208 10.765 ( 2.086 -8.887 0.000) 9.129 10.939 ( 8.134 -10.826 0.000) 13.542 11.445 ( 9.171 15.597 -0.000) 18.094 11.558 ( 3.153 2.835 -0.000) 4.241 12.179 ( 22.206 0.123 0.000) 22.206 12.294 ( 17.982 -11.731 0.000) 21.471 12.524 ( -23.276 14.885 -0.000) 27.629 12.534 ( -7.266 18.673 -0.000) 20.037 13.097 ( -2.201 -10.423 0.000) 10.653 13.200 ( -1.395 -11.173 0.000) 11.259 13.488 ( 24.032 17.035 -0.000) 29.457 14.070 ( -10.571 -19.988 0.000) 22.612 14.614 ( 13.011 -6.844 0.000) 14.701 14.906 ( -3.758 8.816 -0.000) 9.584 15.240 ( -16.669 -3.748 -0.000) 17.085 15.276 ( 0.293 16.016 -0.000) 16.019 16.139 ( 17.571 10.799 0.000) 20.624 16.337 ( -3.044 -4.984 0.000) 5.840 16.799 ( -15.206 12.695 -0.000) 19.808 17.101 ( 9.127 -8.576 0.000) 12.524 17.329 ( -5.789 -5.865 0.000) 8.241 17.638 ( -6.903 -15.449 0.000) 16.921 17.861 ( -0.263 -1.119 0.000) 1.149 18.842 ( 16.905 -4.542 0.000) 17.504 18.907 ( 8.849 5.948 -0.000) 10.662 20.865 ( 1.244 9.009 -0.000) 9.095 21.080 ( -9.241 18.691 -0.000) 20.851 21.473 ( -5.730 -4.343 0.000) 7.190 22.281 ( 28.527 -0.604 0.000) 28.533 23.426 ( -15.359 -14.970 0.000) 21.448 24.158 ( -6.982 5.893 -0.000) 9.136 ======================= Grid point 283 (158/175) ======================= q-point: ( 0.28 -0.28 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.785 ( -46.517 -0.000 -0.000) 46.517 5.890 ( -51.000 -0.000 -0.000) 51.000 6.828 ( 5.467 0.000 0.000) 5.467 7.605 ( 4.193 0.000 0.000) 4.193 7.710 ( -5.021 -0.000 -0.000) 5.021 7.991 ( 20.504 0.000 0.000) 20.504 8.484 ( -4.113 -0.000 -0.000) 4.113 8.769 ( -56.728 -0.000 -0.000) 56.728 9.192 ( -4.838 -0.000 -0.000) 4.838 9.655 ( -13.074 -0.000 -0.000) 13.074 9.735 ( 14.690 0.000 0.000) 14.690 10.822 ( 9.751 0.000 0.000) 9.751 10.978 ( 5.875 0.000 0.000) 5.875 11.581 ( -2.902 -0.000 -0.000) 2.902 11.806 ( -5.762 -0.000 -0.000) 5.762 12.153 ( -3.069 -0.000 -0.000) 3.069 12.203 ( -25.007 -0.000 -0.000) 25.007 12.472 ( 2.643 0.000 0.000) 2.643 12.497 ( -10.617 -0.000 -0.000) 10.617 13.021 ( 15.588 0.000 0.000) 15.588 13.504 ( 15.084 0.000 0.000) 15.084 13.505 ( -6.250 -0.000 -0.000) 6.250 14.183 ( 22.551 0.000 0.000) 22.551 14.755 ( -17.804 -0.000 -0.000) 17.804 14.811 ( 14.684 0.000 0.000) 14.684 14.947 ( -7.441 -0.000 -0.000) 7.441 15.536 ( 9.134 0.000 0.000) 9.134 16.380 ( -5.237 -0.000 -0.000) 5.237 16.430 ( 10.187 0.000 0.000) 10.187 16.737 ( -5.882 -0.000 -0.000) 5.882 17.018 ( 3.300 0.000 0.000) 3.300 17.074 ( -7.494 -0.000 -0.000) 7.494 17.516 ( 7.893 0.000 0.000) 7.893 17.925 ( 5.874 0.000 0.000) 5.874 19.104 ( 13.956 0.000 0.000) 13.956 19.137 ( 8.308 0.000 0.000) 8.308 20.977 ( 1.252 0.000 0.000) 1.252 21.044 ( -16.146 -0.000 -0.000) 16.146 21.353 ( -2.501 -0.000 -0.000) 2.501 22.809 ( 22.906 0.000 0.000) 22.906 22.964 ( -14.773 -0.000 -0.000) 14.773 24.046 ( -8.503 -0.000 -0.000) 8.503 ======================= Grid point 298 (159/175) ======================= q-point: (-0.53 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.540 ( -0.000 -1.110 -21.150) 21.180 6.338 ( -0.000 -15.115 -46.976) 49.348 6.444 ( -0.000 10.723 -9.019) 14.011 7.099 ( -0.000 30.130 4.354) 30.443 7.551 ( -0.000 10.113 -4.560) 11.094 8.256 ( 0.000 -2.717 14.454) 14.707 8.745 ( -0.000 13.049 -15.186) 20.023 9.104 ( -0.000 -0.039 -17.039) 17.039 9.524 ( -0.000 9.510 -12.035) 15.339 9.832 ( 0.000 -0.039 29.495) 29.495 10.250 ( -0.000 -21.697 -40.829) 46.236 10.857 ( -0.000 -26.173 -7.148) 27.131 11.040 ( 0.000 -8.092 11.110) 13.744 11.066 ( 0.000 -25.988 -4.208) 26.326 11.423 ( -0.000 -9.669 -5.825) 11.288 11.945 ( 0.000 22.759 22.651) 32.110 12.530 ( 0.000 -4.437 12.525) 13.288 12.904 ( 0.000 -6.904 1.826) 7.142 12.945 ( 0.000 10.391 9.520) 14.092 13.067 ( 0.000 -6.970 3.791) 7.934 13.587 ( 0.000 14.925 5.180) 15.799 13.606 ( -0.000 16.105 -12.299) 20.264 14.292 ( 0.000 -4.197 4.173) 5.918 14.399 ( -0.000 3.199 -1.421) 3.500 14.693 ( -0.000 8.430 -8.001) 11.623 14.965 ( -0.000 2.381 -5.154) 5.678 14.988 ( 0.000 -11.794 21.604) 24.614 15.869 ( -0.000 -1.848 -24.869) 24.937 16.085 ( 0.000 6.290 5.539) 8.381 16.942 ( 0.000 -0.804 21.299) 21.314 17.420 ( 0.000 -3.818 -0.510) 3.852 17.607 ( 0.000 -10.477 0.112) 10.478 18.005 ( -0.000 -1.071 -5.258) 5.366 18.048 ( 0.000 -0.218 1.954) 1.966 18.308 ( -0.000 5.073 -6.310) 8.096 18.842 ( -0.000 11.205 -1.102) 11.259 20.075 ( -0.000 12.372 -0.223) 12.374 20.880 ( -0.000 23.083 -3.289) 23.316 21.315 ( -0.000 -14.041 -6.974) 15.677 22.250 ( 0.000 -16.627 16.061) 23.117 23.806 ( -0.000 1.117 -19.388) 19.420 24.639 ( 0.000 -3.731 17.988) 18.371 ======================= Grid point 302 (160/175) ======================= q-point: (-0.53 -0.31 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.687 ( 16.995 -1.770 -32.415) 36.643 6.051 ( 0.561 -11.694 -38.748) 40.478 6.703 ( 13.352 0.855 -3.127) 13.740 7.238 ( -10.680 -13.750 15.087) 23.038 7.877 ( 6.695 33.894 1.317) 34.574 8.459 ( -18.537 10.862 -7.845) 22.873 8.794 ( -2.384 15.775 -13.532) 20.920 8.862 ( -15.398 -3.228 -13.866) 20.971 9.572 ( -1.401 -15.827 -6.357) 17.114 9.850 ( -2.009 -13.799 -15.402) 20.776 10.029 ( -0.365 1.117 -21.316) 21.348 10.576 ( 4.656 -11.634 -7.371) 14.539 10.653 ( 22.987 -2.011 -9.104) 24.806 11.074 ( 17.822 -9.834 10.286) 22.807 11.412 ( 8.194 -3.555 1.825) 9.117 12.178 ( 6.247 -5.670 36.645) 37.604 12.444 ( -26.076 -8.382 18.381) 32.986 12.573 ( 1.972 4.189 -7.292) 8.638 12.870 ( -9.332 1.316 -7.714) 12.179 13.257 ( 1.194 15.558 22.279) 27.200 13.642 ( -14.297 4.348 -4.393) 15.576 13.749 ( -17.635 8.015 -4.299) 19.842 14.161 ( 5.856 -4.904 4.495) 8.863 14.528 ( 7.382 2.180 -7.485) 10.736 14.681 ( -3.642 -4.465 14.713) 15.801 15.046 ( 9.867 6.776 -7.317) 14.029 15.207 ( 17.347 -2.029 -8.061) 19.236 15.772 ( -6.272 -0.847 -11.606) 13.220 16.173 ( 0.122 2.163 3.787) 4.364 16.927 ( 1.049 -8.385 9.799) 12.939 17.312 ( -4.528 7.786 2.780) 9.426 17.536 ( 1.947 -1.434 4.955) 5.513 17.936 ( -2.953 -4.066 6.910) 8.544 18.139 ( 4.659 -0.849 -4.610) 6.610 18.433 ( 1.644 5.640 -7.980) 9.909 18.753 ( -17.245 2.903 1.096) 17.522 20.532 ( 17.983 11.587 -7.315) 22.609 21.092 ( 3.607 -11.765 -5.889) 13.643 21.268 ( -1.819 17.347 -2.973) 17.694 21.973 ( 3.083 -11.537 18.141) 21.718 23.669 ( -4.676 -8.328 -16.973) 19.476 24.596 ( -5.324 3.370 16.606) 17.761 ======================= Grid point 306 (161/175) ======================= q-point: (-0.53 -0.31 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.870 ( -6.506 0.000 -31.758) 32.418 6.104 ( 23.398 0.000 -41.028) 47.231 6.838 ( -15.269 -0.000 11.003) 18.820 6.910 ( 1.772 0.000 -7.621) 7.825 8.026 ( -21.975 0.000 -15.369) 26.816 8.244 ( -6.649 -0.000 16.572) 17.856 8.739 ( -5.388 -0.000 4.959) 7.323 8.997 ( 11.945 0.000 -5.965) 13.352 9.326 ( -2.469 0.000 -21.756) 21.896 9.596 ( -4.972 -0.000 9.457) 10.684 10.129 ( 16.034 0.000 -50.559) 53.040 10.571 ( 8.262 0.000 -4.095) 9.222 11.024 ( 0.231 -0.000 18.028) 18.029 11.535 ( 13.345 -0.000 3.929) 13.911 11.648 ( 30.293 0.000 -3.809) 30.531 11.743 ( -29.078 -0.000 23.524) 37.401 12.196 ( 6.466 -0.000 21.218) 22.181 12.683 ( -11.540 0.000 -15.511) 19.333 12.692 ( 6.929 0.000 -10.844) 12.868 13.281 ( -28.136 0.000 -6.867) 28.962 13.354 ( -13.011 -0.000 8.058) 15.304 13.580 ( 9.318 -0.000 23.031) 24.844 14.190 ( -1.635 -0.000 14.477) 14.569 14.549 ( 0.236 -0.000 11.739) 11.741 14.789 ( 9.585 0.000 -10.370) 14.121 15.300 ( 5.138 0.000 -5.569) 7.577 15.492 ( 14.213 0.000 -26.651) 30.204 15.572 ( -13.217 -0.000 -2.082) 13.380 16.238 ( 4.193 -0.000 3.181) 5.263 16.768 ( -3.129 0.000 -5.202) 6.071 17.466 ( 0.571 -0.000 7.449) 7.471 17.537 ( -2.628 -0.000 6.075) 6.619 17.693 ( -10.413 -0.000 17.962) 20.762 17.983 ( -15.915 0.000 -6.737) 17.282 18.586 ( 12.679 -0.000 6.743) 14.361 18.694 ( 6.468 0.000 -8.741) 10.873 20.957 ( 0.703 -0.000 2.015) 2.134 21.029 ( 10.865 0.000 -20.515) 23.214 21.429 ( -2.209 0.000 -2.273) 3.169 22.021 ( 14.487 -0.000 16.504) 21.960 23.429 ( -8.430 0.000 -8.894) 12.254 24.502 ( -8.477 -0.000 11.763) 14.499 ======================= Grid point 325 (162/175) ======================= q-point: ( 0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 5.416 ( -0.000 29.615 -0.000) 29.615 6.447 ( -0.000 14.541 -0.000) 14.541 6.712 ( 0.000 -5.080 0.000) 5.080 7.065 ( -0.000 47.346 -0.000) 47.346 7.310 ( 0.000 -12.691 0.000) 12.691 8.174 ( 0.000 -25.023 0.000) 25.023 8.692 ( -0.000 21.340 -0.000) 21.340 9.099 ( -0.000 4.491 -0.000) 4.491 9.335 ( -0.000 1.311 -0.000) 1.311 9.519 ( -0.000 13.084 -0.000) 13.084 10.500 ( -0.000 32.272 -0.000) 32.272 11.112 ( 0.000 -8.281 0.000) 8.281 11.322 ( 0.000 -4.810 0.000) 4.810 11.433 ( 0.000 -27.482 0.000) 27.482 12.045 ( 0.000 -31.118 0.000) 31.118 12.072 ( 0.000 -16.888 0.000) 16.888 12.199 ( 0.000 -25.959 0.000) 25.959 12.784 ( -0.000 6.194 -0.000) 6.194 12.900 ( -0.000 7.580 -0.000) 7.580 13.152 ( 0.000 -1.015 0.000) 1.015 13.259 ( -0.000 24.539 -0.000) 24.539 13.307 ( -0.000 1.931 -0.000) 1.931 13.827 ( -0.000 39.024 -0.000) 39.024 14.576 ( -0.000 10.098 -0.000) 10.098 14.577 ( 0.000 -12.875 0.000) 12.875 14.980 ( -0.000 1.354 -0.000) 1.354 15.233 ( 0.000 -32.403 0.000) 32.403 15.914 ( -0.000 6.219 -0.000) 6.219 16.146 ( -0.000 11.499 -0.000) 11.499 16.863 ( 0.000 -20.214 0.000) 20.214 17.490 ( 0.000 -2.541 0.000) 2.541 17.783 ( 0.000 -6.973 0.000) 6.973 18.022 ( -0.000 0.028 -0.000) 0.028 18.196 ( -0.000 8.347 -0.000) 8.347 18.234 ( 0.000 -10.334 0.000) 10.334 18.630 ( -0.000 10.830 -0.000) 10.830 19.788 ( -0.000 14.458 -0.000) 14.458 20.458 ( -0.000 22.905 -0.000) 22.905 21.691 ( 0.000 -10.146 0.000) 10.146 22.338 ( 0.000 -14.752 0.000) 14.752 23.804 ( -0.000 19.274 -0.000) 19.274 24.685 ( 0.000 -18.790 0.000) 18.790 ======================= Grid point 326 (163/175) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 4.677 ( -0.000 0.000 -45.952) 45.952 4.973 ( -0.000 0.000 -50.280) 50.280 6.582 ( 0.000 -0.000 0.666) 0.666 7.477 ( 0.000 -0.000 10.109) 10.109 7.561 ( -0.000 0.000 -82.239) 82.239 8.144 ( -0.000 0.000 -23.192) 23.192 8.551 ( -0.000 0.000 -19.149) 19.149 8.674 ( 0.000 -0.000 12.803) 12.803 9.269 ( 0.000 -0.000 5.405) 5.405 9.927 ( -0.000 0.000 -18.183) 18.183 10.030 ( 0.000 -0.000 10.819) 10.819 10.040 ( -0.000 0.000 -18.810) 18.810 10.416 ( 0.000 -0.000 1.850) 1.850 10.497 ( -0.000 0.000 -3.643) 3.643 11.290 ( -0.000 0.000 -0.224) 0.224 12.456 ( -0.000 0.000 -3.866) 3.866 12.574 ( -0.000 0.000 -19.279) 19.279 12.759 ( 0.000 -0.000 16.193) 16.193 13.233 ( 0.000 -0.000 25.118) 25.118 13.455 ( -0.000 0.000 -31.640) 31.640 13.636 ( -0.000 0.000 -27.263) 27.263 14.116 ( 0.000 -0.000 12.441) 12.441 14.281 ( 0.000 -0.000 33.002) 33.002 14.562 ( -0.000 0.000 -15.612) 15.612 14.680 ( 0.000 -0.000 33.617) 33.617 14.877 ( -0.000 0.000 -7.913) 7.913 15.159 ( 0.000 -0.000 25.015) 25.015 15.625 ( -0.000 0.000 -7.123) 7.123 16.437 ( 0.000 -0.000 11.827) 11.827 17.073 ( 0.000 -0.000 4.990) 4.990 17.306 ( -0.000 0.000 -0.543) 0.543 17.591 ( 0.000 -0.000 5.656) 5.656 18.074 ( 0.000 -0.000 1.041) 1.041 18.142 ( -0.000 0.000 -16.480) 16.480 18.212 ( 0.000 -0.000 12.365) 12.365 19.037 ( -0.000 0.000 -4.370) 4.370 20.171 ( -0.000 0.000 -6.269) 6.269 21.002 ( 0.000 -0.000 3.229) 3.229 21.409 ( -0.000 0.000 -4.156) 4.156 22.045 ( 0.000 -0.000 4.490) 4.490 23.286 ( -0.000 0.000 -14.118) 14.118 25.052 ( 0.000 -0.000 18.142) 18.142 ======================= Grid point 329 (164/175) ======================= q-point: ( 0.33 0.67 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.975 ( 22.441 6.731 0.000) 23.429 6.734 ( 8.524 -2.561 0.000) 8.900 6.936 ( -3.004 1.099 -0.000) 3.198 7.167 ( 13.099 18.889 -0.000) 22.986 7.343 ( -9.688 -21.750 0.000) 23.810 8.112 ( 3.577 26.959 -0.000) 27.196 8.681 ( -23.352 16.370 -0.000) 28.518 8.989 ( -25.608 -6.977 -0.000) 26.541 9.679 ( 18.169 15.543 -0.000) 23.910 9.682 ( 1.712 -2.791 0.000) 3.274 10.892 ( 2.777 -3.019 0.000) 4.102 10.957 ( 1.721 -9.216 0.000) 9.375 11.004 ( 8.258 -20.189 0.000) 21.813 11.321 ( 16.708 -9.141 0.000) 19.045 11.509 ( 0.513 -13.209 0.000) 13.219 11.717 ( 4.158 -22.994 0.000) 23.367 12.238 ( 8.736 21.411 -0.000) 23.125 12.489 ( -25.782 -13.603 -0.000) 29.151 12.775 ( -12.783 4.129 -0.000) 13.433 13.015 ( -8.546 2.481 -0.000) 8.899 13.543 ( 1.737 6.036 -0.000) 6.281 13.625 ( -13.178 12.098 -0.000) 17.889 14.291 ( -0.056 18.154 -0.000) 18.154 14.398 ( 4.918 -8.048 0.000) 9.432 14.753 ( 3.670 -17.053 0.000) 17.444 14.930 ( 5.051 9.218 -0.000) 10.511 15.175 ( 15.975 8.923 0.000) 18.298 15.891 ( -11.108 0.154 -0.000) 11.109 16.452 ( 4.171 16.560 -0.000) 17.078 16.576 ( 8.168 -18.857 0.000) 20.550 17.427 ( -0.314 -1.881 0.000) 1.908 17.487 ( -8.635 -11.094 0.000) 14.059 17.979 ( -0.078 -4.019 0.000) 4.019 18.292 ( 15.115 -5.855 0.000) 16.210 18.296 ( -10.640 11.232 -0.000) 15.472 18.664 ( -9.945 5.522 -0.000) 11.375 20.280 ( 14.943 17.832 -0.000) 23.265 20.885 ( -2.867 23.455 -0.000) 23.629 21.541 ( 10.571 -13.616 0.000) 17.238 21.952 ( -6.467 -15.790 0.000) 17.063 24.126 ( -1.920 14.878 -0.000) 15.001 24.246 ( -7.256 -18.655 0.000) 20.017 ======================= Grid point 334 (165/175) ======================= q-point: ( 0.33 0.67 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 287 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.452 ( -24.871 -16.062 0.000) 29.607 6.563 ( 25.204 1.246 0.000) 25.235 6.748 ( 3.446 -7.669 0.000) 8.407 7.074 ( 16.475 -2.512 0.000) 16.665 7.874 ( -8.029 12.132 -0.000) 14.549 8.194 ( -16.744 -1.519 -0.000) 16.813 8.391 ( -14.597 11.562 -0.000) 18.621 8.955 ( -4.757 33.046 -0.000) 33.387 9.436 ( -0.250 -18.331 0.000) 18.332 9.891 ( -3.517 -10.355 0.000) 10.936 10.707 ( 3.286 -11.802 0.000) 12.250 10.766 ( 8.752 -13.589 0.000) 16.164 11.156 ( 1.827 -0.894 0.000) 2.034 11.379 ( -23.228 -0.624 -0.000) 23.236 11.478 ( 5.176 0.975 0.000) 5.267 11.709 ( 25.722 -1.569 0.000) 25.769 11.857 ( 16.713 -10.658 0.000) 19.822 12.712 ( -9.283 12.349 -0.000) 15.449 12.813 ( -4.136 12.980 -0.000) 13.623 13.083 ( 13.765 14.306 -0.000) 19.853 13.341 ( -11.893 -11.340 0.000) 16.433 13.344 ( -22.751 -0.227 -0.000) 22.752 14.208 ( -1.761 -16.148 0.000) 16.243 14.456 ( 3.271 -3.263 0.000) 4.621 14.854 ( 7.048 8.635 -0.000) 11.146 15.239 ( 4.128 12.099 -0.000) 12.783 15.583 ( -16.605 -1.582 -0.000) 16.680 15.747 ( 21.862 9.143 0.000) 23.697 16.350 ( 2.205 -13.875 0.000) 14.049 16.881 ( 9.526 8.198 -0.000) 12.568 17.123 ( -14.185 1.152 -0.000) 14.232 17.413 ( -0.847 -0.396 -0.000) 0.935 17.769 ( -5.724 -13.978 0.000) 15.105 18.063 ( -21.146 2.462 -0.000) 21.289 18.508 ( 16.569 -3.892 0.000) 17.020 18.753 ( 6.313 5.375 -0.000) 8.291 20.813 ( 4.821 11.630 -0.000) 12.590 21.219 ( -5.211 17.983 -0.000) 18.723 21.587 ( -5.562 -8.090 0.000) 9.817 21.702 ( 28.910 -7.238 0.000) 29.802 23.710 ( -13.145 -14.387 0.000) 19.488 24.279 ( -5.110 7.667 -0.000) 9.214 ======================= Grid point 336 (166/175) ======================= q-point: ( 0.33 -0.33 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 5.637 ( -39.311 -0.000 -0.000) 39.311 6.726 ( 4.544 0.000 0.000) 4.544 6.729 ( -26.239 -0.000 -0.000) 26.239 7.401 ( 15.214 0.000 0.000) 15.214 7.624 ( 9.630 0.000 0.000) 9.630 7.858 ( -11.053 -0.000 -0.000) 11.053 8.593 ( -6.370 -0.000 -0.000) 6.370 9.312 ( -7.012 -0.000 -0.000) 7.012 9.376 ( 18.745 0.000 0.000) 18.745 9.439 ( -13.945 -0.000 -0.000) 13.945 10.293 ( -47.925 -0.000 -0.000) 47.925 10.683 ( 5.396 0.000 0.000) 5.396 10.819 ( 9.611 0.000 0.000) 9.611 11.579 ( 2.743 0.000 0.000) 2.743 11.656 ( 15.220 0.000 0.000) 15.220 12.124 ( 9.436 0.000 0.000) 9.436 12.181 ( 21.948 0.000 0.000) 21.948 12.744 ( -29.447 -0.000 -0.000) 29.447 12.765 ( -18.738 -0.000 -0.000) 18.738 12.907 ( 1.026 0.000 0.000) 1.026 13.096 ( 19.850 0.000 0.000) 19.850 13.702 ( 24.627 0.000 0.000) 24.627 13.816 ( -17.130 -0.000 -0.000) 17.130 14.519 ( 11.743 0.000 0.000) 11.743 15.034 ( -0.736 -0.000 -0.000) 0.736 15.179 ( -22.124 -0.000 -0.000) 22.124 15.443 ( 2.962 0.000 0.000) 2.962 16.260 ( 16.076 0.000 0.000) 16.076 16.280 ( 5.467 0.000 0.000) 5.467 16.846 ( -3.511 -0.000 -0.000) 3.511 17.156 ( -14.693 -0.000 -0.000) 14.693 17.270 ( -11.658 -0.000 -0.000) 11.658 17.400 ( 3.087 0.000 0.000) 3.087 17.852 ( -0.643 -0.000 -0.000) 0.643 18.798 ( 16.723 0.000 0.000) 16.723 18.968 ( 8.646 0.000 0.000) 8.646 20.953 ( 1.081 0.000 0.000) 1.081 21.304 ( -10.359 -0.000 -0.000) 10.359 21.404 ( -2.621 -0.000 -0.000) 2.621 22.271 ( 30.954 0.000 0.000) 30.954 23.264 ( -15.587 -0.000 -0.000) 15.587 24.218 ( -8.236 -0.000 -0.000) 8.236 ======================= Grid point 355 (167/175) ======================= q-point: (-0.47 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.501 ( -0.000 -1.870 -28.154) 28.216 6.054 ( -0.000 -12.395 -42.899) 44.654 6.556 ( -0.000 2.759 -2.385) 3.647 7.343 ( 0.000 -15.745 16.978) 23.155 7.794 ( -0.000 37.753 3.106) 37.881 8.639 ( -0.000 27.387 -12.327) 30.034 8.864 ( -0.000 -4.332 -12.913) 13.620 9.034 ( -0.000 -3.600 -36.233) 36.411 9.685 ( -0.000 -10.812 -28.187) 30.190 9.791 ( 0.000 -2.746 20.954) 21.134 9.994 ( -0.000 10.488 -18.612) 21.364 10.443 ( -0.000 -14.861 -12.824) 19.629 10.589 ( 0.000 -19.129 -3.277) 19.407 10.788 ( 0.000 -17.143 6.779) 18.435 11.322 ( -0.000 -2.882 -0.912) 3.023 12.120 ( 0.000 -2.082 42.144) 42.196 12.552 ( -0.000 3.975 -5.276) 6.606 12.738 ( 0.000 -7.983 15.543) 17.473 12.976 ( -0.000 -2.710 -6.548) 7.086 13.236 ( 0.000 17.237 22.776) 28.563 13.838 ( 0.000 9.760 5.661) 11.283 13.891 ( -0.000 12.735 -19.559) 23.339 14.113 ( 0.000 -6.057 6.015) 8.536 14.458 ( -0.000 -2.309 -6.890) 7.267 14.816 ( 0.000 -7.289 19.613) 20.924 14.819 ( -0.000 4.312 -10.752) 11.584 15.006 ( -0.000 1.628 -5.368) 5.609 15.832 ( -0.000 -1.117 -17.717) 17.753 16.175 ( 0.000 2.921 8.559) 9.044 16.911 ( 0.000 -4.901 18.493) 19.132 17.359 ( -0.000 -2.300 -1.527) 2.761 17.523 ( -0.000 4.000 -0.762) 4.071 17.975 ( 0.000 -2.701 4.809) 5.516 18.045 ( 0.000 -0.096 1.661) 1.663 18.411 ( -0.000 4.613 -10.638) 11.595 19.024 ( -0.000 6.918 -1.249) 7.030 20.282 ( -0.000 8.355 -6.762) 10.749 21.058 ( 0.000 -10.865 -2.753) 11.209 21.287 ( -0.000 17.261 -2.938) 17.509 21.950 ( 0.000 -12.988 16.367) 20.894 23.716 ( -0.000 -7.588 -18.608) 20.095 24.650 ( 0.000 2.909 17.957) 18.191 ======================= Grid point 359 (168/175) ======================= q-point: (-0.47 -0.36 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.673 ( 18.065 0.000 -32.943) 37.571 5.920 ( -0.521 0.000 -39.588) 39.591 6.711 ( 11.931 0.000 -1.223) 11.994 7.090 ( -8.960 -0.000 17.545) 19.700 8.403 ( -2.279 -0.000 10.395) 10.642 8.452 ( -16.492 0.000 -19.528) 25.560 8.872 ( -1.224 0.000 -25.173) 25.203 8.917 ( -14.484 -0.000 7.574) 16.345 9.362 ( -0.243 0.000 -48.465) 48.465 9.686 ( -4.666 -0.000 7.190) 8.571 10.015 ( -6.496 0.000 -26.478) 27.264 10.436 ( 5.035 0.000 -1.492) 5.252 10.782 ( 20.191 -0.000 8.699) 21.985 10.895 ( 36.145 0.000 -8.661) 37.169 11.380 ( 8.066 -0.000 1.541) 8.212 12.098 ( 2.104 -0.000 39.465) 39.521 12.357 ( -26.607 -0.000 21.558) 34.244 12.608 ( 2.441 0.000 -10.376) 10.659 12.873 ( -7.387 0.000 -10.347) 12.713 13.463 ( 2.687 -0.000 26.547) 26.682 13.681 ( -18.439 -0.000 2.957) 18.675 13.828 ( -25.691 0.000 -10.214) 27.647 14.108 ( 8.632 -0.000 9.787) 13.050 14.554 ( 13.432 0.000 -10.142) 16.831 14.621 ( -6.942 -0.000 12.231) 14.064 15.134 ( 19.991 0.000 -18.895) 27.508 15.157 ( 9.043 0.000 -3.805) 9.810 15.770 ( -6.225 0.000 -7.273) 9.573 16.199 ( 0.219 -0.000 7.276) 7.280 16.816 ( -1.742 -0.000 5.978) 6.227 17.391 ( 5.001 -0.000 3.696) 6.219 17.578 ( -2.754 -0.000 0.336) 2.775 17.863 ( -6.360 -0.000 14.521) 15.853 18.130 ( 5.342 0.000 -3.625) 6.456 18.492 ( 2.140 0.000 -9.314) 9.557 18.782 ( -20.688 -0.000 0.620) 20.698 20.671 ( 22.686 0.000 -16.712) 28.177 20.946 ( 0.363 -0.000 2.159) 2.189 21.464 ( -1.310 0.000 -2.342) 2.683 21.842 ( 4.350 -0.000 17.988) 18.507 23.570 ( -5.316 0.000 -15.098) 16.006 24.636 ( -4.940 -0.000 15.163) 15.948 ======================= Grid point 382 (169/175) ======================= q-point: ( 0.39 0.61 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.741 ( -0.000 6.835 -0.000) 6.835 6.637 ( 0.000 -2.739 0.000) 2.739 6.975 ( -0.000 36.715 -0.000) 36.715 7.022 ( 0.000 -16.093 0.000) 16.093 7.434 ( 0.000 -24.445 0.000) 24.445 8.082 ( -0.000 33.575 -0.000) 33.575 9.109 ( -0.000 20.788 -0.000) 20.788 9.307 ( -0.000 15.269 -0.000) 15.269 9.314 ( 0.000 -4.360 0.000) 4.360 9.614 ( -0.000 0.521 -0.000) 0.521 10.876 ( -0.000 3.688 -0.000) 3.688 10.918 ( 0.000 -24.387 0.000) 24.387 10.936 ( 0.000 -10.181 0.000) 10.181 11.118 ( 0.000 -19.509 0.000) 19.509 11.512 ( 0.000 -17.819 0.000) 17.819 11.680 ( 0.000 -26.120 0.000) 26.120 12.144 ( -0.000 22.972 -0.000) 22.972 12.787 ( 0.000 -13.564 0.000) 13.564 12.892 ( -0.000 3.141 -0.000) 3.141 13.119 ( 0.000 -2.202 0.000) 2.202 13.520 ( -0.000 15.052 -0.000) 15.052 13.737 ( -0.000 23.985 -0.000) 23.985 14.333 ( 0.000 -13.557 0.000) 13.557 14.395 ( -0.000 18.541 -0.000) 18.541 14.709 ( 0.000 -18.451 0.000) 18.451 14.782 ( -0.000 10.121 -0.000) 10.121 15.024 ( -0.000 2.594 -0.000) 2.594 16.022 ( -0.000 4.317 -0.000) 4.317 16.406 ( -0.000 14.893 -0.000) 14.893 16.465 ( 0.000 -20.161 0.000) 20.161 17.430 ( 0.000 -3.159 0.000) 3.159 17.592 ( 0.000 -10.407 0.000) 10.407 18.023 ( -0.000 0.048 -0.000) 0.048 18.079 ( 0.000 -6.485 0.000) 6.485 18.369 ( -0.000 8.967 -0.000) 8.967 18.852 ( -0.000 11.217 -0.000) 11.217 20.081 ( -0.000 15.386 -0.000) 15.386 20.913 ( -0.000 23.265 -0.000) 23.265 21.440 ( 0.000 -15.204 0.000) 15.204 22.018 ( 0.000 -17.327 0.000) 17.327 24.145 ( -0.000 15.360 -0.000) 15.360 24.319 ( 0.000 -18.525 0.000) 18.525 ======================= Grid point 387 (170/175) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.035 ( 22.229 1.151 0.000) 22.259 6.694 ( 4.712 -2.360 0.000) 5.270 6.736 ( -0.145 -10.500 0.000) 10.501 6.872 ( -2.513 -19.223 0.000) 19.387 7.808 ( 7.419 34.251 -0.000) 35.045 8.573 ( -17.981 15.430 -0.000) 23.694 8.874 ( -24.372 -4.891 -0.000) 24.858 9.116 ( -13.623 27.530 -0.000) 30.716 9.498 ( -5.791 -15.597 0.000) 16.637 9.868 ( 7.462 0.506 0.000) 7.479 10.608 ( 6.827 -14.683 0.000) 16.193 10.664 ( 0.546 -11.866 0.000) 11.879 10.908 ( 16.123 0.920 0.000) 16.149 11.173 ( 25.428 -4.684 0.000) 25.856 11.311 ( 10.263 -17.770 0.000) 20.520 11.388 ( 4.987 -3.054 0.000) 5.848 12.215 ( -27.998 -11.837 -0.000) 30.398 12.733 ( 7.290 23.217 -0.000) 24.335 12.857 ( -5.017 2.574 -0.000) 5.639 13.024 ( -4.114 -0.571 -0.000) 4.153 13.609 ( -13.636 1.864 -0.000) 13.763 13.854 ( -25.140 9.766 -0.000) 26.970 14.142 ( 7.049 -14.195 0.000) 15.849 14.465 ( -3.863 1.711 -0.000) 4.225 14.679 ( 9.465 4.562 0.000) 10.507 15.114 ( 8.181 8.572 -0.000) 11.849 15.305 ( 21.952 4.564 0.000) 22.422 15.874 ( -12.933 -1.981 -0.000) 13.084 16.260 ( 6.620 -12.337 0.000) 14.001 16.706 ( 7.156 5.783 -0.000) 9.201 17.381 ( -11.139 4.089 -0.000) 11.866 17.395 ( 1.385 -1.237 0.000) 1.857 17.862 ( -4.219 -8.600 0.000) 9.579 18.209 ( 13.507 -2.834 0.000) 13.801 18.485 ( -10.199 7.447 -0.000) 12.629 18.758 ( -14.337 3.795 -0.000) 14.830 20.616 ( 16.044 16.796 -0.000) 23.227 21.250 ( 14.243 -15.942 0.000) 21.378 21.292 ( -2.398 17.099 -0.000) 17.266 21.678 ( -3.472 -11.401 0.000) 11.918 23.920 ( -7.685 -13.724 0.000) 15.729 24.355 ( -2.586 8.370 -0.000) 8.761 ======================= Grid point 389 (171/175) ======================= q-point: ( 0.39 0.61 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.280 ( -25.145 -0.000 -0.000) 25.145 6.580 ( 28.035 0.000 0.000) 28.035 6.657 ( 2.473 0.000 0.000) 2.473 7.054 ( 18.765 0.000 0.000) 18.765 7.938 ( -27.616 -0.000 -0.000) 27.616 8.184 ( -22.693 -0.000 -0.000) 22.693 8.715 ( -5.650 -0.000 -0.000) 5.650 9.100 ( 6.547 0.000 0.000) 6.547 9.453 ( -6.973 -0.000 -0.000) 6.973 9.613 ( -6.138 -0.000 -0.000) 6.138 10.595 ( 3.387 0.000 0.000) 3.387 10.624 ( 9.770 0.000 0.000) 9.770 11.090 ( -17.061 -0.000 -0.000) 17.061 11.485 ( 6.376 0.000 0.000) 6.376 11.502 ( -14.561 -0.000 -0.000) 14.561 11.693 ( 27.603 0.000 0.000) 27.603 11.693 ( 32.404 0.000 0.000) 32.404 12.881 ( 2.998 0.000 0.000) 2.998 12.919 ( -2.765 -0.000 -0.000) 2.765 13.188 ( -23.161 -0.000 -0.000) 23.161 13.240 ( 9.389 0.000 0.000) 9.389 13.373 ( -22.163 -0.000 -0.000) 22.163 14.029 ( -3.874 -0.000 -0.000) 3.874 14.400 ( 0.661 0.000 0.000) 0.661 14.961 ( 8.108 0.000 0.000) 8.108 15.361 ( 6.071 0.000 0.000) 6.071 15.568 ( -17.063 -0.000 -0.000) 17.063 15.853 ( 23.994 0.000 0.000) 23.994 16.199 ( 3.248 0.000 0.000) 3.248 16.835 ( 4.402 0.000 0.000) 4.402 17.409 ( -0.943 -0.000 -0.000) 0.943 17.418 ( -4.710 -0.000 -0.000) 4.710 17.459 ( -14.401 -0.000 -0.000) 14.401 18.088 ( -23.934 -0.000 -0.000) 23.934 18.470 ( 16.111 0.000 0.000) 16.111 18.810 ( 6.980 0.000 0.000) 6.980 20.935 ( 0.800 0.000 0.000) 0.800 21.453 ( -2.257 -0.000 -0.000) 2.257 21.460 ( -5.873 -0.000 -0.000) 5.873 21.620 ( 34.763 0.000 0.000) 34.763 23.557 ( -13.612 -0.000 -0.000) 13.612 24.356 ( -5.630 -0.000 -0.000) 5.630 ======================= Grid point 413 (172/175) ======================= q-point: (-0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.482 ( -0.000 0.000 -30.039) 30.039 5.923 ( -0.000 0.000 -41.238) 41.238 6.581 ( -0.000 0.000 -0.504) 0.504 7.177 ( 0.000 -0.000 19.166) 19.166 8.387 ( 0.000 -0.000 13.322) 13.322 8.595 ( -0.000 0.000 -19.294) 19.294 8.918 ( -0.000 0.000 -40.800) 40.800 9.150 ( 0.000 -0.000 5.168) 5.168 9.356 ( -0.000 0.000 -62.856) 62.856 9.773 ( 0.000 -0.000 12.897) 12.897 10.303 ( -0.000 0.000 -16.522) 16.522 10.368 ( 0.000 -0.000 14.615) 14.615 10.393 ( 0.000 -0.000 0.522) 0.522 10.421 ( -0.000 0.000 -15.887) 15.887 11.295 ( -0.000 0.000 -0.183) 0.183 12.080 ( 0.000 -0.000 46.700) 46.700 12.585 ( -0.000 0.000 -9.645) 9.645 12.654 ( 0.000 -0.000 19.578) 19.578 12.950 ( -0.000 0.000 -8.666) 8.666 13.439 ( 0.000 -0.000 28.773) 28.773 13.936 ( 0.000 -0.000 5.961) 5.961 13.982 ( 0.000 -0.000 5.156) 5.156 14.157 ( -0.000 0.000 -16.377) 16.377 14.358 ( -0.000 0.000 -12.984) 12.984 14.736 ( 0.000 -0.000 15.991) 15.991 14.860 ( -0.000 0.000 -12.122) 12.122 15.023 ( -0.000 0.000 -5.351) 5.351 15.828 ( -0.000 0.000 -10.935) 10.935 16.202 ( 0.000 -0.000 9.920) 9.920 16.833 ( 0.000 -0.000 14.097) 14.097 17.336 ( -0.000 0.000 -1.979) 1.979 17.616 ( -0.000 0.000 -4.394) 4.394 17.928 ( 0.000 -0.000 13.398) 13.398 18.044 ( 0.000 -0.000 1.568) 1.568 18.459 ( -0.000 0.000 -11.884) 11.884 19.093 ( -0.000 0.000 -1.330) 1.330 20.369 ( -0.000 0.000 -12.903) 12.903 20.943 ( 0.000 -0.000 2.217) 2.217 21.478 ( -0.000 0.000 -2.362) 2.362 21.806 ( 0.000 -0.000 16.274) 16.274 23.623 ( -0.000 0.000 -16.978) 16.978 24.686 ( 0.000 -0.000 16.529) 16.529 ======================= Grid point 440 (173/175) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 5.804 ( -0.000 1.235 -0.000) 1.235 6.601 ( 0.000 -1.065 0.000) 1.065 6.739 ( 0.000 -11.620 0.000) 11.620 6.929 ( 0.000 -21.073 0.000) 21.073 7.723 ( -0.000 37.577 -0.000) 37.577 8.751 ( -0.000 29.982 -0.000) 29.982 9.124 ( 0.000 -15.940 0.000) 15.940 9.457 ( -0.000 13.871 -0.000) 13.871 9.603 ( 0.000 -0.899 0.000) 0.899 9.609 ( -0.000 13.125 -0.000) 13.125 10.532 ( 0.000 -14.403 0.000) 14.403 10.687 ( 0.000 -18.683 0.000) 18.683 10.721 ( 0.000 -10.866 0.000) 10.866 10.843 ( 0.000 -3.101 0.000) 3.101 11.225 ( 0.000 -19.338 0.000) 19.338 11.335 ( 0.000 -4.210 0.000) 4.210 12.524 ( 0.000 -11.436 0.000) 11.436 12.656 ( -0.000 23.388 -0.000) 23.388 12.905 ( 0.000 -0.932 0.000) 0.932 13.080 ( 0.000 -1.540 0.000) 1.540 13.772 ( -0.000 9.735 -0.000) 9.735 14.041 ( 0.000 -13.571 0.000) 13.571 14.150 ( -0.000 17.387 -0.000) 17.387 14.563 ( -0.000 0.085 -0.000) 0.085 14.567 ( -0.000 1.188 -0.000) 1.188 14.941 ( -0.000 5.924 -0.000) 5.924 15.066 ( -0.000 1.512 -0.000) 1.512 16.075 ( -0.000 1.306 -0.000) 1.306 16.119 ( 0.000 -14.250 0.000) 14.250 16.632 ( -0.000 5.563 -0.000) 5.563 17.380 ( 0.000 -1.833 0.000) 1.833 17.507 ( -0.000 4.280 -0.000) 4.280 17.940 ( 0.000 -8.706 0.000) 8.706 18.024 ( -0.000 0.030 -0.000) 0.030 18.521 ( -0.000 6.095 -0.000) 6.095 19.035 ( -0.000 6.983 -0.000) 6.983 20.373 ( -0.000 14.405 -0.000) 14.405 21.129 ( 0.000 -15.872 0.000) 15.872 21.315 ( -0.000 16.772 -0.000) 16.772 21.714 ( 0.000 -12.747 0.000) 12.747 23.997 ( 0.000 -13.453 0.000) 13.453 24.380 ( -0.000 8.549 -0.000) 8.549 ======================= Grid point 442 (174/175) ======================= q-point: ( 0.44 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 6.045 ( 22.165 0.000 0.000) 22.165 6.619 ( -10.212 -0.000 -0.000) 10.212 6.626 ( 0.812 0.000 0.000) 0.812 6.726 ( 13.046 0.000 0.000) 13.046 8.239 ( -2.075 -0.000 -0.000) 2.075 8.717 ( -28.949 -0.000 -0.000) 28.949 8.803 ( -3.179 -0.000 -0.000) 3.179 9.264 ( -21.881 -0.000 -0.000) 21.881 9.568 ( -4.138 -0.000 -0.000) 4.138 9.702 ( -2.990 -0.000 -0.000) 2.990 10.457 ( 6.617 0.000 0.000) 6.617 10.550 ( 1.834 0.000 0.000) 1.834 11.007 ( 33.516 0.000 0.000) 33.516 11.063 ( 4.909 0.000 0.000) 4.909 11.131 ( 27.419 0.000 0.000) 27.419 11.358 ( 5.672 0.000 0.000) 5.672 12.090 ( -28.734 -0.000 -0.000) 28.734 12.878 ( -1.014 -0.000 -0.000) 1.014 12.990 ( 8.947 0.000 0.000) 8.947 13.006 ( -5.010 -0.000 -0.000) 5.010 13.628 ( -20.238 -0.000 -0.000) 20.238 13.955 ( -29.088 -0.000 -0.000) 29.088 13.991 ( 6.126 0.000 0.000) 6.126 14.461 ( -5.728 -0.000 -0.000) 5.728 14.746 ( 12.384 0.000 0.000) 12.384 15.202 ( 9.322 0.000 0.000) 9.322 15.355 ( 25.625 0.000 0.000) 25.625 15.842 ( -10.754 -0.000 -0.000) 10.754 16.138 ( 3.248 0.000 0.000) 3.248 16.720 ( 5.750 0.000 0.000) 5.750 17.383 ( 1.894 0.000 0.000) 1.894 17.555 ( -8.353 -0.000 -0.000) 8.353 17.684 ( -8.040 -0.000 -0.000) 8.040 18.182 ( 12.836 0.000 0.000) 12.836 18.561 ( -10.259 -0.000 -0.000) 10.259 18.797 ( -15.618 -0.000 -0.000) 15.618 20.923 ( 0.427 0.000 0.000) 0.427 20.949 ( 31.580 0.000 0.000) 31.580 21.489 ( -1.329 -0.000 -0.000) 1.329 21.543 ( -2.739 -0.000 -0.000) 2.739 23.774 ( -8.007 -0.000 -0.000) 8.007 24.438 ( -2.765 -0.000 -0.000) 2.765 ======================= Grid point 496 (175/175) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 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| 5.814 ( 0.000 -0.000 0.000) 0.000 6.591 ( 0.000 -0.000 0.000) 0.000 6.619 ( 0.000 -0.000 0.000) 0.000 6.714 ( 0.000 -0.000 0.000) 0.000 8.224 ( 0.000 -0.000 0.000) 0.000 8.835 ( 0.000 -0.000 0.000) 0.000 9.091 ( 0.000 -0.000 0.000) 0.000 9.593 ( 0.000 -0.000 0.000) 0.000 9.600 ( 0.000 -0.000 0.000) 0.000 9.731 ( 0.000 -0.000 0.000) 0.000 10.389 ( 0.000 -0.000 0.000) 0.000 10.501 ( 0.000 -0.000 0.000) 0.000 10.602 ( 0.000 -0.000 0.000) 0.000 10.810 ( 0.000 -0.000 0.000) 0.000 11.013 ( 0.000 -0.000 0.000) 0.000 11.297 ( 0.000 -0.000 0.000) 0.000 12.404 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 -0.000 0.000) 0.000 12.903 ( 0.000 -0.000 0.000) 0.000 13.064 ( 0.000 -0.000 0.000) 0.000 13.870 ( 0.000 0.000 0.000) 0.000 13.900 ( 0.000 -0.000 0.000) 0.000 14.344 ( 0.000 -0.000 0.000) 0.000 14.546 ( 0.000 -0.000 0.000) 0.000 14.583 ( 0.000 0.000 0.000) 0.000 15.001 ( 0.000 -0.000 0.000) 0.000 15.080 ( 0.000 -0.000 0.000) 0.000 15.969 ( 0.000 -0.000 0.000) 0.000 16.085 ( 0.000 -0.000 0.000) 0.000 16.657 ( 0.000 0.000 0.000) 0.000 17.362 ( -0.000 0.000 0.000) 0.000 17.671 ( 0.000 -0.000 0.000) 0.000 17.764 ( 0.000 -0.000 0.000) 0.000 18.024 ( 0.000 -0.000 0.000) 0.000 18.583 ( 0.000 -0.000 0.000) 0.000 19.105 ( 0.000 0.000 0.000) 0.000 20.567 ( 0.000 -0.000 0.000) 0.000 20.918 ( 0.000 -0.000 0.000) 0.000 21.503 ( 0.000 -0.000 0.000) 0.000 21.570 ( 0.000 -0.000 0.000) 0.000 23.855 ( 0.000 -0.000 0.000) 0.000 24.465 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/40824 10.0 7848.854 8471.208 1383.018 -0.000 0.000 -0.000 3/40824 20.0 11947.546 13058.762 9085.983 -0.000 0.000 -0.000 3/40824 30.0 7909.499 8174.300 8986.252 -0.000 0.000 0.000 3/40824 40.0 4473.401 4650.492 5256.279 -0.000 0.000 0.000 3/40824 50.0 2534.975 2587.482 2863.510 -0.000 0.000 0.000 3/40824 60.0 1506.321 1507.368 1649.497 -0.000 0.000 0.000 3/40824 70.0 953.801 944.331 1022.084 -0.000 0.000 0.000 3/40824 80.0 643.336 634.598 678.625 -0.000 0.000 0.000 3/40824 90.0 458.970 452.966 478.564 -0.000 0.000 0.000 3/40824 100.0 343.342 339.810 354.955 -0.000 0.000 0.000 3/40824 110.0 267.149 265.448 274.447 -0.000 0.000 0.000 3/40824 120.0 214.729 214.294 219.555 -0.000 0.000 0.000 3/40824 130.0 177.299 177.713 180.630 -0.000 0.000 0.000 3/40824 140.0 149.706 150.677 152.087 -0.000 0.000 0.000 3/40824 150.0 128.798 130.129 130.547 -0.000 0.000 0.000 3/40824 160.0 112.574 114.130 113.885 -0.000 0.000 0.000 3/40824 170.0 99.719 101.411 100.716 -0.000 0.000 0.000 3/40824 180.0 89.348 91.114 90.112 -0.000 0.000 0.000 3/40824 190.0 80.845 82.645 81.432 -0.000 0.000 0.000 3/40824 200.0 73.774 75.581 74.223 -0.000 0.000 0.000 3/40824 210.0 67.818 69.613 68.158 -0.000 0.000 0.000 3/40824 220.0 62.745 64.516 62.997 -0.000 0.000 0.000 3/40824 230.0 58.379 60.119 58.559 -0.000 0.000 0.000 3/40824 240.0 54.587 56.291 54.708 -0.000 0.000 0.000 3/40824 250.0 51.266 52.931 51.338 -0.000 0.000 0.000 3/40824 260.0 48.336 49.960 48.367 -0.000 0.000 0.000 3/40824 270.0 45.732 47.316 45.728 -0.000 0.000 0.000 3/40824 280.0 43.405 44.948 43.371 -0.000 0.000 0.000 3/40824 290.0 41.312 42.816 41.253 -0.000 0.000 0.000 3/40824 300.0 39.420 40.885 39.340 -0.000 0.000 0.000 3/40824 310.0 37.702 39.129 37.603 -0.000 0.000 0.000 3/40824 320.0 36.134 37.526 36.020 -0.000 0.000 0.000 3/40824 330.0 34.698 36.055 34.571 -0.000 0.000 0.000 3/40824 340.0 33.378 34.701 33.239 -0.000 0.000 0.000 3/40824 350.0 32.160 33.451 32.011 -0.000 0.000 0.000 3/40824 360.0 31.032 32.292 30.875 -0.000 0.000 0.000 3/40824 370.0 29.985 31.216 29.820 -0.000 0.000 0.000 3/40824 380.0 29.011 30.212 28.840 -0.000 0.000 0.000 3/40824 390.0 28.101 29.275 27.924 -0.000 0.000 0.000 3/40824 400.0 27.249 28.397 27.068 -0.000 0.000 0.000 3/40824 410.0 26.451 27.573 26.266 -0.000 0.000 0.000 3/40824 420.0 25.700 26.799 25.512 -0.000 0.000 0.000 3/40824 430.0 24.993 26.068 24.803 -0.000 0.000 0.000 3/40824 440.0 24.326 25.379 24.134 -0.000 0.000 0.000 3/40824 450.0 23.695 24.727 23.502 -0.000 0.000 0.000 3/40824 460.0 23.098 24.109 22.904 -0.000 0.000 0.000 3/40824 470.0 22.532 23.523 22.336 -0.000 0.000 0.000 3/40824 480.0 21.995 22.966 21.798 -0.000 0.000 0.000 3/40824 490.0 21.483 22.436 21.286 -0.000 0.000 0.000 3/40824 500.0 20.996 21.932 20.799 -0.000 0.000 0.000 3/40824 510.0 20.532 21.450 20.335 -0.000 0.000 0.000 3/40824 520.0 20.088 20.990 19.892 -0.000 0.000 0.000 3/40824 530.0 19.665 20.550 19.468 -0.000 0.000 0.000 3/40824 540.0 19.259 20.129 19.064 -0.000 0.000 0.000 3/40824 550.0 18.871 19.726 18.676 -0.000 0.000 0.000 3/40824 560.0 18.498 19.339 18.304 -0.000 0.000 0.000 3/40824 570.0 18.141 18.968 17.948 -0.000 0.000 0.000 3/40824 580.0 17.798 18.611 17.605 -0.000 0.000 0.000 3/40824 590.0 17.468 18.268 17.276 -0.000 0.000 0.000 3/40824 600.0 17.150 17.938 16.960 -0.000 0.000 0.000 3/40824 610.0 16.845 17.620 16.655 -0.000 0.000 0.000 3/40824 620.0 16.550 17.313 16.362 -0.000 0.000 0.000 3/40824 630.0 16.266 17.017 16.079 -0.000 0.000 0.000 3/40824 640.0 15.992 16.732 15.806 -0.000 0.000 0.000 3/40824 650.0 15.727 16.456 15.543 -0.000 0.000 0.000 3/40824 660.0 15.471 16.190 15.288 -0.000 0.000 0.000 3/40824 670.0 15.224 15.932 15.042 -0.000 0.000 0.000 3/40824 680.0 14.984 15.683 14.804 -0.000 0.000 0.000 3/40824 690.0 14.753 15.441 14.574 -0.000 0.000 0.000 3/40824 700.0 14.528 15.207 14.350 -0.000 0.000 0.000 3/40824 710.0 14.311 14.980 14.134 -0.000 0.000 0.000 3/40824 720.0 14.100 14.761 13.925 -0.000 0.000 0.000 3/40824 730.0 13.895 14.547 13.722 -0.000 0.000 0.000 3/40824 740.0 13.697 14.340 13.524 -0.000 0.000 0.000 3/40824 750.0 13.504 14.139 13.333 -0.000 0.000 0.000 3/40824 760.0 13.316 13.944 13.147 -0.000 0.000 0.000 3/40824 770.0 13.134 13.754 12.966 -0.000 0.000 0.000 3/40824 780.0 12.957 13.569 12.791 -0.000 0.000 0.000 3/40824 790.0 12.785 13.389 12.620 -0.000 0.000 0.000 3/40824 800.0 12.618 13.214 12.454 -0.000 0.000 0.000 3/40824 810.0 12.455 13.044 12.292 -0.000 0.000 0.000 3/40824 820.0 12.296 12.878 12.134 -0.000 0.000 0.000 3/40824 830.0 12.141 12.717 11.981 -0.000 0.000 0.000 3/40824 840.0 11.990 12.559 11.831 -0.000 0.000 0.000 3/40824 850.0 11.843 12.405 11.685 -0.000 0.000 0.000 3/40824 860.0 11.700 12.256 11.543 -0.000 0.000 0.000 3/40824 870.0 11.560 12.110 11.405 -0.000 0.000 0.000 3/40824 880.0 11.423 11.967 11.269 -0.000 0.000 0.000 3/40824 890.0 11.290 11.828 11.137 -0.000 0.000 0.000 3/40824 900.0 11.160 11.692 11.009 -0.000 0.000 0.000 3/40824 910.0 11.033 11.559 10.883 -0.000 0.000 0.000 3/40824 920.0 10.909 11.429 10.760 -0.000 0.000 0.000 3/40824 930.0 10.787 11.302 10.639 -0.000 0.000 0.000 3/40824 940.0 10.669 11.178 10.522 -0.000 0.000 0.000 3/40824 950.0 10.553 11.057 10.407 -0.000 0.000 0.000 3/40824 960.0 10.439 10.938 10.295 -0.000 0.000 0.000 3/40824 970.0 10.328 10.822 10.185 -0.000 0.000 0.000 3/40824 980.0 10.219 10.709 10.077 -0.000 0.000 0.000 3/40824 990.0 10.113 10.598 9.972 -0.000 0.000 0.000 3/40824 1000.0 10.009 10.489 9.869 -0.000 0.000 0.000 3/40824 Thermal conductivity related properties were written into "kappa-m3936.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:33:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|