----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:51:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.501220824999999 4.974820545000000 5.844637925000000 b 2.501220824999999 -4.974820545000000 5.844637925000000 c 2.501220824999999 4.974820545000000 -5.844637925000000 Atomic positions (fractional): *1 Cs 0.87226403413765 0.23847020250105 0.11073423663869 132.905 2 Cs 0.12773596586235 0.76152979749895 0.88926576336131 132.905 3 Cs 0.37226403413765 0.26152979749895 0.63379383163660 132.905 4 Cs 0.62773596586235 0.73847020250105 0.36620616836340 132.905 *5 Li 0.99040256187108 0.75000000000000 0.24040256187108 6.941 6 Li 0.49040256187108 0.25000000000000 0.24040256187108 6.941 7 Li 0.50959743812892 0.75000000000000 0.75959743812892 6.941 *8 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 9 Li 0.00959743812892 0.25000000000000 0.75959743812892 6.941 10 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 *11 Ga 0.25000000000000 0.75000000000000 0.50000000000000 69.723 12 Ga 0.75000000000000 0.25000000000000 0.50000000000000 69.723 *13 O 0.55632299920544 0.94093162772385 0.14789424914095 15.999 14 O 0.70696262141710 0.55906837227615 0.61539137148159 15.999 15 O 0.29303737858290 0.44093162772385 0.38460862851841 15.999 16 O 0.05632299920544 0.90842875006449 0.61539137148159 15.999 17 O 0.44367700079456 0.05906837227615 0.85210575085905 15.999 18 O 0.20696262141710 0.59157124993551 0.14789424914095 15.999 19 O 0.94367700079456 0.09157124993551 0.38460862851841 15.999 20 O 0.79303737858290 0.40842875006449 0.85210575085905 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.002441649999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.949641090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.689275850000000 Atomic positions (fractional): *1 Cs 0.23847020250105 0.87226403413765 0.00000000000000 132.905 > 1 2 Cs 0.76152979749895 0.12773596586235 0.00000000000000 132.905 > 2 3 Cs 0.26152979749895 0.37226403413765 0.00000000000000 132.905 > 3 4 Cs 0.73847020250105 0.62773596586235 0.00000000000000 132.905 > 4 5 Cs 0.73847020250105 0.37226403413765 0.50000000000000 132.905 > 1 6 Cs 0.26152979749895 0.62773596586235 0.50000000000000 132.905 > 2 7 Cs 0.76152979749895 0.87226403413765 0.50000000000000 132.905 > 3 8 Cs 0.23847020250105 0.12773596586235 0.50000000000000 132.905 > 4 *9 Li 0.50000000000000 0.74040256187108 0.25000000000000 6.941 > 5 10 Li 0.50000000000000 0.74040256187108 0.75000000000000 6.941 > 6 11 Li 0.50000000000000 0.25959743812892 0.25000000000000 6.941 > 7 *12 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 8 13 Li 0.50000000000000 0.25959743812892 0.75000000000000 6.941 > 9 14 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 10 15 Li 0.00000000000000 0.24040256187108 0.75000000000000 6.941 > 5 16 Li 0.00000000000000 0.24040256187108 0.25000000000000 6.941 > 6 17 Li 0.00000000000000 0.75959743812892 0.75000000000000 6.941 > 7 18 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 8 19 Li 0.00000000000000 0.75959743812892 0.25000000000000 6.941 > 9 20 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 10 *21 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 11 22 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 12 23 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 11 24 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 12 *25 O 0.76625143882968 0.38164281031127 0.17468018889417 15.999 > 13 26 O 0.23374856117032 0.38164281031127 0.32531981110583 15.999 > 14 27 O 0.76625143882968 0.61835718968873 0.67468018889417 15.999 > 15 28 O 0.23374856117032 0.38164281031127 0.67468018889417 15.999 > 16 29 O 0.23374856117032 0.61835718968873 0.82531981110583 15.999 > 17 30 O 0.76625143882968 0.38164281031127 0.82531981110583 15.999 > 18 31 O 0.76625143882968 0.61835718968873 0.32531981110583 15.999 > 19 32 O 0.23374856117032 0.61835718968873 0.17468018889417 15.999 > 20 33 O 0.26625143882968 0.88164281031127 0.67468018889417 15.999 > 13 34 O 0.73374856117032 0.88164281031127 0.82531981110583 15.999 > 14 35 O 0.26625143882968 0.11835718968873 0.17468018889417 15.999 > 15 36 O 0.73374856117032 0.88164281031127 0.17468018889417 15.999 > 16 37 O 0.73374856117032 0.11835718968873 0.32531981110583 15.999 > 17 38 O 0.26625143882968 0.88164281031127 0.32531981110583 15.999 > 18 39 O 0.26625143882968 0.11835718968873 0.82531981110583 15.999 > 19 40 O 0.73374856117032 0.11835718968873 0.67468018889417 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.004883299999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.949641090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.689275850000000 Atomic positions (fractional): *1 Cs 0.11923510125052 0.87226403413765 0.00000000000000 132.905 > 1 2 Cs 0.61923510125052 0.87226403413765 0.00000000000000 132.905 > 1 3 Cs 0.38076489874948 0.12773596586235 0.00000000000000 132.905 > 2 4 Cs 0.88076489874948 0.12773596586235 0.00000000000000 132.905 > 2 5 Cs 0.13076489874948 0.37226403413765 0.00000000000000 132.905 > 3 6 Cs 0.63076489874948 0.37226403413765 0.00000000000000 132.905 > 3 7 Cs 0.36923510125052 0.62773596586235 0.00000000000000 132.905 > 4 8 Cs 0.86923510125052 0.62773596586235 0.00000000000000 132.905 > 4 9 Cs 0.36923510125052 0.37226403413765 0.50000000000000 132.905 > 1 10 Cs 0.86923510125052 0.37226403413765 0.50000000000000 132.905 > 1 11 Cs 0.13076489874948 0.62773596586235 0.50000000000000 132.905 > 2 12 Cs 0.63076489874948 0.62773596586235 0.50000000000000 132.905 > 2 13 Cs 0.38076489874948 0.87226403413765 0.50000000000000 132.905 > 3 14 Cs 0.88076489874948 0.87226403413765 0.50000000000000 132.905 > 3 15 Cs 0.11923510125052 0.12773596586235 0.50000000000000 132.905 > 4 16 Cs 0.61923510125052 0.12773596586235 0.50000000000000 132.905 > 4 *17 Li 0.25000000000000 0.74040256187108 0.25000000000000 6.941 > 5 18 Li 0.75000000000000 0.74040256187108 0.25000000000000 6.941 > 5 19 Li 0.25000000000000 0.74040256187108 0.75000000000000 6.941 > 6 20 Li 0.75000000000000 0.74040256187108 0.75000000000000 6.941 > 6 21 Li 0.25000000000000 0.25959743812892 0.25000000000000 6.941 > 7 22 Li 0.75000000000000 0.25959743812892 0.25000000000000 6.941 > 7 *23 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 8 24 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 8 25 Li 0.25000000000000 0.25959743812892 0.75000000000000 6.941 > 9 26 Li 0.75000000000000 0.25959743812892 0.75000000000000 6.941 > 9 27 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 10 28 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 10 29 Li 0.00000000000000 0.24040256187108 0.75000000000000 6.941 > 5 30 Li 0.50000000000000 0.24040256187108 0.75000000000000 6.941 > 5 31 Li 0.00000000000000 0.24040256187108 0.25000000000000 6.941 > 6 32 Li 0.50000000000000 0.24040256187108 0.25000000000000 6.941 > 6 33 Li 0.00000000000000 0.75959743812892 0.75000000000000 6.941 > 7 34 Li 0.50000000000000 0.75959743812892 0.75000000000000 6.941 > 7 35 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 8 36 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 8 37 Li 0.00000000000000 0.75959743812892 0.25000000000000 6.941 > 9 38 Li 0.50000000000000 0.75959743812892 0.25000000000000 6.941 > 9 39 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 10 40 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 10 *41 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 11 42 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 11 43 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 12 44 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 12 45 Ga 0.25000000000000 0.00000000000000 0.25000000000000 69.723 > 11 46 Ga 0.75000000000000 0.00000000000000 0.25000000000000 69.723 > 11 47 Ga 0.25000000000000 0.00000000000000 0.75000000000000 69.723 > 12 48 Ga 0.75000000000000 0.00000000000000 0.75000000000000 69.723 > 12 *49 O 0.38312571941484 0.38164281031127 0.17468018889417 15.999 > 13 50 O 0.88312571941484 0.38164281031127 0.17468018889417 15.999 > 13 51 O 0.11687428058516 0.38164281031127 0.32531981110583 15.999 > 14 52 O 0.61687428058516 0.38164281031127 0.32531981110583 15.999 > 14 53 O 0.38312571941484 0.61835718968873 0.67468018889417 15.999 > 15 54 O 0.88312571941484 0.61835718968873 0.67468018889417 15.999 > 15 55 O 0.11687428058516 0.38164281031127 0.67468018889417 15.999 > 16 56 O 0.61687428058516 0.38164281031127 0.67468018889417 15.999 > 16 57 O 0.11687428058516 0.61835718968873 0.82531981110583 15.999 > 17 58 O 0.61687428058516 0.61835718968873 0.82531981110583 15.999 > 17 59 O 0.38312571941484 0.38164281031127 0.82531981110583 15.999 > 18 60 O 0.88312571941484 0.38164281031127 0.82531981110583 15.999 > 18 61 O 0.38312571941484 0.61835718968873 0.32531981110583 15.999 > 19 62 O 0.88312571941484 0.61835718968873 0.32531981110583 15.999 > 19 63 O 0.11687428058516 0.61835718968873 0.17468018889417 15.999 > 20 64 O 0.61687428058516 0.61835718968873 0.17468018889417 15.999 > 20 65 O 0.13312571941484 0.88164281031127 0.67468018889417 15.999 > 13 66 O 0.63312571941484 0.88164281031127 0.67468018889417 15.999 > 13 67 O 0.36687428058516 0.88164281031127 0.82531981110583 15.999 > 14 68 O 0.86687428058516 0.88164281031127 0.82531981110583 15.999 > 14 69 O 0.13312571941484 0.11835718968873 0.17468018889417 15.999 > 15 70 O 0.63312571941484 0.11835718968873 0.17468018889417 15.999 > 15 71 O 0.36687428058516 0.88164281031127 0.17468018889417 15.999 > 16 72 O 0.86687428058516 0.88164281031127 0.17468018889417 15.999 > 16 73 O 0.36687428058516 0.11835718968873 0.32531981110583 15.999 > 17 74 O 0.86687428058516 0.11835718968873 0.32531981110583 15.999 > 17 75 O 0.13312571941484 0.88164281031127 0.32531981110583 15.999 > 18 76 O 0.63312571941484 0.88164281031127 0.32531981110583 15.999 > 18 77 O 0.13312571941484 0.11835718968873 0.82531981110583 15.999 > 19 78 O 0.63312571941484 0.11835718968873 0.82531981110583 15.999 > 19 79 O 0.36687428058516 0.11835718968873 0.67468018889417 15.999 > 20 80 O 0.86687428058516 0.11835718968873 0.67468018889417 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4680621 0.0000000 0.0000000 0.0000000 3.4517328 0.0000000 0.0000000 0.0000000 3.6040178 -------------------------- Born effective charges -------------------------- 1 Cs 1.3046780 0.0866449 0.0000000 0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 2 Cs 1.3046780 0.0866449 0.0000000 0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 3 Cs 1.3046780 -0.0866449 0.0000000 -0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 4 Cs 1.3046780 -0.0866449 0.0000000 -0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 5 Li 0.9882189 0.0000000 0.1240638 0.0000000 1.1670754 0.0000000 0.0006326 0.0000000 0.8139275 6 Li 0.9882189 0.0000000 -0.1240638 0.0000000 1.1670754 0.0000000 -0.0006326 0.0000000 0.8139275 7 Li 0.9882189 0.0000000 -0.1240638 0.0000000 1.1670754 0.0000000 -0.0006326 0.0000000 0.8139275 8 Li 1.1375582 0.0000000 0.0000000 0.0000000 0.7507729 0.0000000 0.0000000 0.0000000 0.7837031 9 Li 0.9882189 0.0000000 0.1240638 0.0000000 1.1670754 0.0000000 0.0006326 0.0000000 0.8139275 10 Li 1.1375582 0.0000000 0.0000000 0.0000000 0.7507729 0.0000000 0.0000000 0.0000000 0.7837031 11 Ga 2.4870030 0.0000000 0.0000000 0.0000000 2.4215577 0.0000000 0.0000000 0.0000000 2.1923788 12 Ga 2.4870030 0.0000000 0.0000000 0.0000000 2.4215577 0.0000000 0.0000000 0.0000000 2.1923788 13 O -2.0525888 -0.2469373 -0.0949106 -0.2437471 -2.0324257 -0.1355008 -0.2721244 -0.2824005 -1.9156486 14 O -2.0525888 0.2469373 -0.0949106 0.2437471 -2.0324257 0.1355008 -0.2721244 0.2824005 -1.9156486 15 O -2.0525888 0.2469373 -0.0949106 0.2437471 -2.0324257 0.1355008 -0.2721244 0.2824005 -1.9156486 16 O -2.0525888 0.2469373 0.0949106 0.2437471 -2.0324257 -0.1355008 0.2721244 -0.2824005 -1.9156486 17 O -2.0525888 -0.2469373 -0.0949106 -0.2437471 -2.0324257 -0.1355008 -0.2721244 -0.2824005 -1.9156486 18 O -2.0525888 -0.2469373 0.0949106 -0.2437471 -2.0324257 0.1355008 0.2721244 0.2824005 -1.9156486 19 O -2.0525888 0.2469373 0.0949106 0.2437471 -2.0324257 -0.1355008 0.2721244 -0.2824005 -1.9156486 20 O -2.0525888 -0.2469373 0.0949106 -0.2437471 -2.0324257 0.1355008 0.2721244 0.2824005 -1.9156486 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 8340/8340 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1008 Number of blocks in projector: 1008 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: 196 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (1008, 983), data: False |-- (148, 143), data: True |-- (148, 143), data: True |-- (148, 143), data: True |-- (180, 178), data: True |-- (188, 184), data: True |-- (196, 192), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.901 Solver_block: 200 / 320 - Time: 0.870 Solver_block: 300 / 320 - Time: 0.855 Solver_block: 320 / 320 - Time: 0.299 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.954 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 8340/8340 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1008 Number of blocks in projector: 1008 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: 196 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (1008, 983), data: False |-- (148, 143), data: True |-- (148, 143), data: True |-- (148, 143), data: True |-- (180, 178), data: True |-- (188, 184), data: True |-- (196, 192), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:52:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:52:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.501220824999999 4.974820545000000 5.844637925000000 b 2.501220824999999 -4.974820545000000 5.844637925000000 c 2.501220824999999 4.974820545000000 -5.844637925000000 Atomic positions (fractional): 1 Cs 0.87226403413765 0.23847020250105 0.11073423663869 132.905 2 Cs 0.12773596586235 0.76152979749895 0.88926576336131 132.905 3 Cs 0.37226403413765 0.26152979749895 0.63379383163660 132.905 4 Cs 0.62773596586235 0.73847020250105 0.36620616836340 132.905 5 Li 0.99040256187108 0.75000000000000 0.24040256187108 6.941 6 Li 0.49040256187108 0.25000000000000 0.24040256187108 6.941 7 Li 0.50959743812892 0.75000000000000 0.75959743812892 6.941 8 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 9 Li 0.00959743812892 0.25000000000000 0.75959743812892 6.941 10 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 11 Ga 0.25000000000000 0.75000000000000 0.50000000000000 69.723 12 Ga 0.75000000000000 0.25000000000000 0.50000000000000 69.723 13 O 0.55632299920544 0.94093162772385 0.14789424914095 15.999 14 O 0.70696262141710 0.55906837227615 0.61539137148159 15.999 15 O 0.29303737858290 0.44093162772385 0.38460862851841 15.999 16 O 0.05632299920544 0.90842875006449 0.61539137148159 15.999 17 O 0.44367700079456 0.05906837227615 0.85210575085905 15.999 18 O 0.20696262141710 0.59157124993551 0.14789424914095 15.999 19 O 0.94367700079456 0.09157124993551 0.38460862851841 15.999 20 O 0.79303737858290 0.40842875006449 0.85210575085905 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.004883299999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.949641090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.689275850000000 Atomic positions (fractional): 1 Cs 0.11923510125052 0.87226403413765 0.00000000000000 132.905 > 1 2 Cs 0.61923510125052 0.87226403413765 0.00000000000000 132.905 > 1 3 Cs 0.38076489874948 0.12773596586235 0.00000000000000 132.905 > 3 4 Cs 0.88076489874948 0.12773596586235 0.00000000000000 132.905 > 3 5 Cs 0.13076489874948 0.37226403413765 0.00000000000000 132.905 > 5 6 Cs 0.63076489874948 0.37226403413765 0.00000000000000 132.905 > 5 7 Cs 0.36923510125052 0.62773596586235 0.00000000000000 132.905 > 7 8 Cs 0.86923510125052 0.62773596586235 0.00000000000000 132.905 > 7 9 Cs 0.36923510125052 0.37226403413765 0.50000000000000 132.905 > 1 10 Cs 0.86923510125052 0.37226403413765 0.50000000000000 132.905 > 1 11 Cs 0.13076489874948 0.62773596586235 0.50000000000000 132.905 > 3 12 Cs 0.63076489874948 0.62773596586235 0.50000000000000 132.905 > 3 13 Cs 0.38076489874948 0.87226403413765 0.50000000000000 132.905 > 5 14 Cs 0.88076489874948 0.87226403413765 0.50000000000000 132.905 > 5 15 Cs 0.11923510125052 0.12773596586235 0.50000000000000 132.905 > 7 16 Cs 0.61923510125052 0.12773596586235 0.50000000000000 132.905 > 7 17 Li 0.25000000000000 0.74040256187108 0.25000000000000 6.941 > 17 18 Li 0.75000000000000 0.74040256187108 0.25000000000000 6.941 > 17 19 Li 0.25000000000000 0.74040256187108 0.75000000000000 6.941 > 19 20 Li 0.75000000000000 0.74040256187108 0.75000000000000 6.941 > 19 21 Li 0.25000000000000 0.25959743812892 0.25000000000000 6.941 > 21 22 Li 0.75000000000000 0.25959743812892 0.25000000000000 6.941 > 21 23 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 23 24 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 23 25 Li 0.25000000000000 0.25959743812892 0.75000000000000 6.941 > 25 26 Li 0.75000000000000 0.25959743812892 0.75000000000000 6.941 > 25 27 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 27 28 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 27 29 Li 0.00000000000000 0.24040256187108 0.75000000000000 6.941 > 17 30 Li 0.50000000000000 0.24040256187108 0.75000000000000 6.941 > 17 31 Li 0.00000000000000 0.24040256187108 0.25000000000000 6.941 > 19 32 Li 0.50000000000000 0.24040256187108 0.25000000000000 6.941 > 19 33 Li 0.00000000000000 0.75959743812892 0.75000000000000 6.941 > 21 34 Li 0.50000000000000 0.75959743812892 0.75000000000000 6.941 > 21 35 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 23 36 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 23 37 Li 0.00000000000000 0.75959743812892 0.25000000000000 6.941 > 25 38 Li 0.50000000000000 0.75959743812892 0.25000000000000 6.941 > 25 39 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 27 40 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 27 41 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 41 42 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 41 43 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 43 44 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 43 45 Ga 0.25000000000000 0.00000000000000 0.25000000000000 69.723 > 41 46 Ga 0.75000000000000 0.00000000000000 0.25000000000000 69.723 > 41 47 Ga 0.25000000000000 0.00000000000000 0.75000000000000 69.723 > 43 48 Ga 0.75000000000000 0.00000000000000 0.75000000000000 69.723 > 43 49 O 0.38312571941484 0.38164281031127 0.17468018889417 15.999 > 49 50 O 0.88312571941484 0.38164281031127 0.17468018889417 15.999 > 49 51 O 0.11687428058516 0.38164281031127 0.32531981110583 15.999 > 51 52 O 0.61687428058516 0.38164281031127 0.32531981110583 15.999 > 51 53 O 0.38312571941484 0.61835718968873 0.67468018889417 15.999 > 53 54 O 0.88312571941484 0.61835718968873 0.67468018889417 15.999 > 53 55 O 0.11687428058516 0.38164281031127 0.67468018889417 15.999 > 55 56 O 0.61687428058516 0.38164281031127 0.67468018889417 15.999 > 55 57 O 0.11687428058516 0.61835718968873 0.82531981110583 15.999 > 57 58 O 0.61687428058516 0.61835718968873 0.82531981110583 15.999 > 57 59 O 0.38312571941484 0.38164281031127 0.82531981110583 15.999 > 59 60 O 0.88312571941484 0.38164281031127 0.82531981110583 15.999 > 59 61 O 0.38312571941484 0.61835718968873 0.32531981110583 15.999 > 61 62 O 0.88312571941484 0.61835718968873 0.32531981110583 15.999 > 61 63 O 0.11687428058516 0.61835718968873 0.17468018889417 15.999 > 63 64 O 0.61687428058516 0.61835718968873 0.17468018889417 15.999 > 63 65 O 0.13312571941484 0.88164281031127 0.67468018889417 15.999 > 49 66 O 0.63312571941484 0.88164281031127 0.67468018889417 15.999 > 49 67 O 0.36687428058516 0.88164281031127 0.82531981110583 15.999 > 51 68 O 0.86687428058516 0.88164281031127 0.82531981110583 15.999 > 51 69 O 0.13312571941484 0.11835718968873 0.17468018889417 15.999 > 53 70 O 0.63312571941484 0.11835718968873 0.17468018889417 15.999 > 53 71 O 0.36687428058516 0.88164281031127 0.17468018889417 15.999 > 55 72 O 0.86687428058516 0.88164281031127 0.17468018889417 15.999 > 55 73 O 0.36687428058516 0.11835718968873 0.32531981110583 15.999 > 57 74 O 0.86687428058516 0.11835718968873 0.32531981110583 15.999 > 57 75 O 0.13312571941484 0.88164281031127 0.32531981110583 15.999 > 59 76 O 0.63312571941484 0.88164281031127 0.32531981110583 15.999 > 59 77 O 0.13312571941484 0.11835718968873 0.82531981110583 15.999 > 61 78 O 0.63312571941484 0.11835718968873 0.82531981110583 15.999 > 61 79 O 0.36687428058516 0.11835718968873 0.67468018889417 15.999 > 63 80 O 0.86687428058516 0.11835718968873 0.67468018889417 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4680621 0.0000000 0.0000000 0.0000000 3.4517328 0.0000000 0.0000000 0.0000000 3.6040178 -------------------------- Born effective charges -------------------------- 1 Cs 1.3046780 0.0866449 0.0000000 0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 2 Cs 1.3046780 0.0866449 0.0000000 0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 3 Cs 1.3046780 -0.0866449 0.0000000 -0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 4 Cs 1.3046780 -0.0866449 0.0000000 -0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 5 Li 0.9882189 0.0000000 0.1240638 0.0000000 1.1670754 0.0000000 0.0006326 0.0000000 0.8139275 6 Li 0.9882189 0.0000000 -0.1240638 0.0000000 1.1670754 0.0000000 -0.0006326 0.0000000 0.8139275 7 Li 0.9882189 0.0000000 -0.1240638 0.0000000 1.1670754 0.0000000 -0.0006326 0.0000000 0.8139275 8 Li 1.1375582 0.0000000 0.0000000 0.0000000 0.7507729 0.0000000 0.0000000 0.0000000 0.7837031 9 Li 0.9882189 0.0000000 0.1240638 0.0000000 1.1670754 0.0000000 0.0006326 0.0000000 0.8139275 10 Li 1.1375582 0.0000000 0.0000000 0.0000000 0.7507729 0.0000000 0.0000000 0.0000000 0.7837031 11 Ga 2.4870030 0.0000000 0.0000000 0.0000000 2.4215577 0.0000000 0.0000000 0.0000000 2.1923788 12 Ga 2.4870030 0.0000000 0.0000000 0.0000000 2.4215577 0.0000000 0.0000000 0.0000000 2.1923788 13 O -2.0525888 -0.2469373 -0.0949106 -0.2437471 -2.0324257 -0.1355008 -0.2721244 -0.2824005 -1.9156486 14 O -2.0525888 0.2469373 -0.0949106 0.2437471 -2.0324257 0.1355008 -0.2721244 0.2824005 -1.9156486 15 O -2.0525888 0.2469373 -0.0949106 0.2437471 -2.0324257 0.1355008 -0.2721244 0.2824005 -1.9156486 16 O -2.0525888 0.2469373 0.0949106 0.2437471 -2.0324257 -0.1355008 0.2721244 -0.2824005 -1.9156486 17 O -2.0525888 -0.2469373 -0.0949106 -0.2437471 -2.0324257 -0.1355008 -0.2721244 -0.2824005 -1.9156486 18 O -2.0525888 -0.2469373 0.0949106 -0.2437471 -2.0324257 0.1355008 0.2721244 0.2824005 -1.9156486 19 O -2.0525888 0.2469373 0.0949106 0.2437471 -2.0324257 -0.1355008 0.2721244 -0.2824005 -1.9156486 20 O -2.0525888 -0.2469373 0.0949106 -0.2437471 -2.0324257 0.1355008 0.2721244 0.2824005 -1.9156486 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, 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[ 41, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xyz) -0.00000003 (xyz) -0.00000003 (xzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 11:52:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:52:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.501220824999999 4.974820545000000 5.844637925000000 b 2.501220824999999 -4.974820545000000 5.844637925000000 c 2.501220824999999 4.974820545000000 -5.844637925000000 Atomic positions (fractional): 1 Cs 0.87226403413765 0.23847020250105 0.11073423663869 132.905 2 Cs 0.12773596586235 0.76152979749895 0.88926576336131 132.905 3 Cs 0.37226403413765 0.26152979749895 0.63379383163660 132.905 4 Cs 0.62773596586235 0.73847020250105 0.36620616836340 132.905 5 Li 0.99040256187108 0.75000000000000 0.24040256187108 6.941 6 Li 0.49040256187108 0.25000000000000 0.24040256187108 6.941 7 Li 0.50959743812892 0.75000000000000 0.75959743812892 6.941 8 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 9 Li 0.00959743812892 0.25000000000000 0.75959743812892 6.941 10 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 11 Ga 0.25000000000000 0.75000000000000 0.50000000000000 69.723 12 Ga 0.75000000000000 0.25000000000000 0.50000000000000 69.723 13 O 0.55632299920544 0.94093162772385 0.14789424914095 15.999 14 O 0.70696262141710 0.55906837227615 0.61539137148159 15.999 15 O 0.29303737858290 0.44093162772385 0.38460862851841 15.999 16 O 0.05632299920544 0.90842875006449 0.61539137148159 15.999 17 O 0.44367700079456 0.05906837227615 0.85210575085905 15.999 18 O 0.20696262141710 0.59157124993551 0.14789424914095 15.999 19 O 0.94367700079456 0.09157124993551 0.38460862851841 15.999 20 O 0.79303737858290 0.40842875006449 0.85210575085905 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.004883299999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.949641090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.689275850000000 Atomic positions (fractional): 1 Cs 0.11923510125052 0.87226403413765 0.00000000000000 132.905 > 1 2 Cs 0.61923510125052 0.87226403413765 0.00000000000000 132.905 > 1 3 Cs 0.38076489874948 0.12773596586235 0.00000000000000 132.905 > 3 4 Cs 0.88076489874948 0.12773596586235 0.00000000000000 132.905 > 3 5 Cs 0.13076489874948 0.37226403413765 0.00000000000000 132.905 > 5 6 Cs 0.63076489874948 0.37226403413765 0.00000000000000 132.905 > 5 7 Cs 0.36923510125052 0.62773596586235 0.00000000000000 132.905 > 7 8 Cs 0.86923510125052 0.62773596586235 0.00000000000000 132.905 > 7 9 Cs 0.36923510125052 0.37226403413765 0.50000000000000 132.905 > 1 10 Cs 0.86923510125052 0.37226403413765 0.50000000000000 132.905 > 1 11 Cs 0.13076489874948 0.62773596586235 0.50000000000000 132.905 > 3 12 Cs 0.63076489874948 0.62773596586235 0.50000000000000 132.905 > 3 13 Cs 0.38076489874948 0.87226403413765 0.50000000000000 132.905 > 5 14 Cs 0.88076489874948 0.87226403413765 0.50000000000000 132.905 > 5 15 Cs 0.11923510125052 0.12773596586235 0.50000000000000 132.905 > 7 16 Cs 0.61923510125052 0.12773596586235 0.50000000000000 132.905 > 7 17 Li 0.25000000000000 0.74040256187108 0.25000000000000 6.941 > 17 18 Li 0.75000000000000 0.74040256187108 0.25000000000000 6.941 > 17 19 Li 0.25000000000000 0.74040256187108 0.75000000000000 6.941 > 19 20 Li 0.75000000000000 0.74040256187108 0.75000000000000 6.941 > 19 21 Li 0.25000000000000 0.25959743812892 0.25000000000000 6.941 > 21 22 Li 0.75000000000000 0.25959743812892 0.25000000000000 6.941 > 21 23 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 23 24 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 23 25 Li 0.25000000000000 0.25959743812892 0.75000000000000 6.941 > 25 26 Li 0.75000000000000 0.25959743812892 0.75000000000000 6.941 > 25 27 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 27 28 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 27 29 Li 0.00000000000000 0.24040256187108 0.75000000000000 6.941 > 17 30 Li 0.50000000000000 0.24040256187108 0.75000000000000 6.941 > 17 31 Li 0.00000000000000 0.24040256187108 0.25000000000000 6.941 > 19 32 Li 0.50000000000000 0.24040256187108 0.25000000000000 6.941 > 19 33 Li 0.00000000000000 0.75959743812892 0.75000000000000 6.941 > 21 34 Li 0.50000000000000 0.75959743812892 0.75000000000000 6.941 > 21 35 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 23 36 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 23 37 Li 0.00000000000000 0.75959743812892 0.25000000000000 6.941 > 25 38 Li 0.50000000000000 0.75959743812892 0.25000000000000 6.941 > 25 39 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 27 40 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 27 41 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 41 42 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 41 43 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 43 44 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 43 45 Ga 0.25000000000000 0.00000000000000 0.25000000000000 69.723 > 41 46 Ga 0.75000000000000 0.00000000000000 0.25000000000000 69.723 > 41 47 Ga 0.25000000000000 0.00000000000000 0.75000000000000 69.723 > 43 48 Ga 0.75000000000000 0.00000000000000 0.75000000000000 69.723 > 43 49 O 0.38312571941484 0.38164281031127 0.17468018889417 15.999 > 49 50 O 0.88312571941484 0.38164281031127 0.17468018889417 15.999 > 49 51 O 0.11687428058516 0.38164281031127 0.32531981110583 15.999 > 51 52 O 0.61687428058516 0.38164281031127 0.32531981110583 15.999 > 51 53 O 0.38312571941484 0.61835718968873 0.67468018889417 15.999 > 53 54 O 0.88312571941484 0.61835718968873 0.67468018889417 15.999 > 53 55 O 0.11687428058516 0.38164281031127 0.67468018889417 15.999 > 55 56 O 0.61687428058516 0.38164281031127 0.67468018889417 15.999 > 55 57 O 0.11687428058516 0.61835718968873 0.82531981110583 15.999 > 57 58 O 0.61687428058516 0.61835718968873 0.82531981110583 15.999 > 57 59 O 0.38312571941484 0.38164281031127 0.82531981110583 15.999 > 59 60 O 0.88312571941484 0.38164281031127 0.82531981110583 15.999 > 59 61 O 0.38312571941484 0.61835718968873 0.32531981110583 15.999 > 61 62 O 0.88312571941484 0.61835718968873 0.32531981110583 15.999 > 61 63 O 0.11687428058516 0.61835718968873 0.17468018889417 15.999 > 63 64 O 0.61687428058516 0.61835718968873 0.17468018889417 15.999 > 63 65 O 0.13312571941484 0.88164281031127 0.67468018889417 15.999 > 49 66 O 0.63312571941484 0.88164281031127 0.67468018889417 15.999 > 49 67 O 0.36687428058516 0.88164281031127 0.82531981110583 15.999 > 51 68 O 0.86687428058516 0.88164281031127 0.82531981110583 15.999 > 51 69 O 0.13312571941484 0.11835718968873 0.17468018889417 15.999 > 53 70 O 0.63312571941484 0.11835718968873 0.17468018889417 15.999 > 53 71 O 0.36687428058516 0.88164281031127 0.17468018889417 15.999 > 55 72 O 0.86687428058516 0.88164281031127 0.17468018889417 15.999 > 55 73 O 0.36687428058516 0.11835718968873 0.32531981110583 15.999 > 57 74 O 0.86687428058516 0.11835718968873 0.32531981110583 15.999 > 57 75 O 0.13312571941484 0.88164281031127 0.32531981110583 15.999 > 59 76 O 0.63312571941484 0.88164281031127 0.32531981110583 15.999 > 59 77 O 0.13312571941484 0.11835718968873 0.82531981110583 15.999 > 61 78 O 0.63312571941484 0.11835718968873 0.82531981110583 15.999 > 61 79 O 0.36687428058516 0.11835718968873 0.67468018889417 15.999 > 63 80 O 0.86687428058516 0.11835718968873 0.67468018889417 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4680621 0.0000000 0.0000000 0.0000000 3.4517328 0.0000000 0.0000000 0.0000000 3.6040178 -------------------------- Born effective charges -------------------------- 1 Cs 1.3046780 0.0866449 0.0000000 0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 2 Cs 1.3046780 0.0866449 0.0000000 0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 3 Cs 1.3046780 -0.0866449 0.0000000 -0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 4 Cs 1.3046780 -0.0866449 0.0000000 -0.0060962 1.3116106 0.0000000 0.0000000 0.0000000 1.5293287 5 Li 0.9882189 0.0000000 0.1240638 0.0000000 1.1670754 0.0000000 0.0006326 0.0000000 0.8139275 6 Li 0.9882189 0.0000000 -0.1240638 0.0000000 1.1670754 0.0000000 -0.0006326 0.0000000 0.8139275 7 Li 0.9882189 0.0000000 -0.1240638 0.0000000 1.1670754 0.0000000 -0.0006326 0.0000000 0.8139275 8 Li 1.1375582 0.0000000 0.0000000 0.0000000 0.7507729 0.0000000 0.0000000 0.0000000 0.7837031 9 Li 0.9882189 0.0000000 0.1240638 0.0000000 1.1670754 0.0000000 0.0006326 0.0000000 0.8139275 10 Li 1.1375582 0.0000000 0.0000000 0.0000000 0.7507729 0.0000000 0.0000000 0.0000000 0.7837031 11 Ga 2.4870030 0.0000000 0.0000000 0.0000000 2.4215577 0.0000000 0.0000000 0.0000000 2.1923788 12 Ga 2.4870030 0.0000000 0.0000000 0.0000000 2.4215577 0.0000000 0.0000000 0.0000000 2.1923788 13 O -2.0525888 -0.2469373 -0.0949106 -0.2437471 -2.0324257 -0.1355008 -0.2721244 -0.2824005 -1.9156486 14 O -2.0525888 0.2469373 -0.0949106 0.2437471 -2.0324257 0.1355008 -0.2721244 0.2824005 -1.9156486 15 O -2.0525888 0.2469373 -0.0949106 0.2437471 -2.0324257 0.1355008 -0.2721244 0.2824005 -1.9156486 16 O -2.0525888 0.2469373 0.0949106 0.2437471 -2.0324257 -0.1355008 0.2721244 -0.2824005 -1.9156486 17 O -2.0525888 -0.2469373 -0.0949106 -0.2437471 -2.0324257 -0.1355008 -0.2721244 -0.2824005 -1.9156486 18 O -2.0525888 -0.2469373 0.0949106 -0.2437471 -2.0324257 0.1355008 0.2721244 0.2824005 -1.9156486 19 O -2.0525888 0.2469373 0.0949106 0.2437471 -2.0324257 -0.1355008 0.2721244 -0.2824005 -1.9156486 20 O -2.0525888 -0.2469373 0.0949106 -0.2437471 -2.0324257 0.1355008 0.2721244 0.2824005 -1.9156486 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xyz) -0.00000003 (xyz) -0.00000003 (xzy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 10 40 ] Grid generation matrix: [ 0 10 10 ] [ 5 0 5 ] [ 4 4 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: 0.63, Number of G-points: 279, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 8.043 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.117 ( 0.000 0.000 0.000) 0.000 9.275 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.788 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 0.000) 0.000 10.404 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.336 ( 0.000 0.000 0.000) 0.000 12.206 ( 0.000 0.000 0.000) 0.000 12.283 ( 0.000 0.000 0.000) 0.000 12.290 ( 0.000 0.000 0.000) 0.000 12.428 ( 0.000 0.000 0.000) 0.000 12.916 ( 0.000 0.000 0.000) 0.000 13.599 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 15.280 ( 0.000 0.000 0.000) 0.000 15.302 ( 0.000 0.000 0.000) 0.000 15.555 ( 0.000 0.000 0.000) 0.000 15.632 ( 0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 15.952 ( 0.000 0.000 0.000) 0.000 16.083 ( 0.000 0.000 0.000) 0.000 16.146 ( 0.000 0.000 0.000) 0.000 17.573 ( 0.000 0.000 0.000) 0.000 17.651 ( 0.000 0.000 0.000) 0.000 17.703 ( 0.000 0.000 0.000) 0.000 17.837 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 18.591 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -12.905 -10.995 -1.423) 17.014 1.213 ( -15.247 11.739 0.515) 19.249 1.499 ( 0.673 -0.337 -7.952) 7.988 1.528 ( -1.426 2.767 5.049) 5.932 1.595 ( 3.865 -5.757 -3.673) 7.847 1.681 ( 2.478 2.751 7.429) 8.300 1.926 ( 14.232 -14.163 -5.289) 20.763 2.216 ( 14.163 12.331 0.445) 18.784 2.474 ( 10.714 -14.863 -2.748) 18.527 2.627 ( 10.238 -12.029 -0.037) 15.796 2.705 ( -6.320 8.184 -0.016) 10.341 2.964 ( 25.930 18.808 1.931) 32.091 3.118 ( 5.742 -4.800 -0.900) 7.538 3.158 ( 3.851 0.892 0.370) 3.970 3.304 ( 7.878 -39.801 0.991) 40.585 3.612 ( 0.059 -1.166 3.460) 3.652 3.808 ( -4.595 5.942 0.015) 7.511 4.234 ( 1.018 35.546 -4.964) 35.906 5.309 ( 2.733 -29.344 6.140) 30.104 5.834 ( -3.580 16.118 -5.640) 17.448 6.317 ( -3.068 1.078 -0.617) 3.310 6.491 ( -14.437 11.584 1.296) 18.555 7.536 ( -1.878 -2.527 -4.881) 5.808 7.622 ( 3.831 5.349 3.199) 7.316 7.885 ( -18.923 -13.087 -4.668) 23.476 8.133 ( -13.607 9.622 3.833) 17.101 8.504 ( 6.703 -6.696 0.986) 9.526 8.584 ( 10.149 -0.707 -2.661) 10.516 9.112 ( 5.127 -1.209 -2.106) 5.673 9.184 ( 12.655 4.767 4.347) 14.205 9.416 ( 0.362 -3.264 -1.006) 3.435 9.508 ( -6.078 5.506 1.939) 8.427 9.732 ( 8.584 -2.265 -0.305) 8.883 9.814 ( 8.575 4.895 1.782) 10.033 10.311 ( 17.622 -11.349 -0.479) 20.966 10.546 ( 20.434 11.914 0.712) 23.664 10.814 ( 1.346 -16.663 -0.986) 16.746 11.169 ( -1.005 7.329 0.635) 7.425 11.218 ( -0.949 6.522 0.321) 6.598 11.307 ( 0.795 5.650 0.520) 5.730 12.321 ( -9.382 -3.774 -2.043) 10.317 12.365 ( -10.594 -0.187 3.699) 11.223 12.990 ( 6.115 -10.108 6.739) 13.601 13.149 ( 4.917 5.999 -3.708) 8.597 14.440 ( -1.402 -26.989 4.802) 27.448 14.826 ( -4.196 4.700 -0.891) 6.363 15.050 ( -7.179 -1.054 -0.246) 7.260 15.252 ( -2.727 11.616 -3.419) 12.412 15.526 ( 1.431 -2.263 -1.136) 2.908 15.638 ( 1.149 7.535 0.651) 7.650 16.032 ( -2.085 -5.370 -2.186) 6.162 16.120 ( 1.271 2.902 1.883) 3.686 16.469 ( -5.420 -19.946 3.749) 21.006 16.903 ( -6.499 22.015 -4.518) 23.395 17.496 ( -6.459 -2.238 1.165) 6.934 17.565 ( -6.531 4.647 0.508) 8.032 18.041 ( -7.611 -2.710 -1.773) 8.272 18.104 ( -6.204 3.073 -1.017) 6.997 18.429 ( 5.866 -12.746 5.886) 15.215 18.659 ( 5.573 9.583 -6.267) 12.734 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 13.762 6.996 0.000) 15.438 0.946 ( 13.534 -12.815 -0.000) 18.638 1.138 ( -21.325 -15.741 -0.000) 26.505 1.609 ( 4.492 0.594 -0.000) 4.531 1.784 ( 1.640 16.570 0.000) 16.651 1.823 ( -1.172 -5.803 -0.000) 5.920 1.872 ( 2.398 20.439 0.000) 20.580 2.079 ( -3.386 6.620 0.000) 7.436 2.486 ( 16.687 25.786 0.000) 30.714 2.706 ( 0.600 -5.213 -0.000) 5.247 2.792 ( 7.002 -8.953 -0.000) 11.366 3.171 ( 1.320 1.189 0.000) 1.777 3.187 ( 5.872 3.872 0.000) 7.033 3.383 ( 1.593 0.900 0.000) 1.830 3.645 ( 45.803 6.023 -0.000) 46.197 3.716 ( 3.458 -5.693 -0.000) 6.661 3.909 ( 30.411 -9.372 -0.000) 31.822 4.631 ( -5.019 -15.160 -0.000) 15.969 5.075 ( 9.897 20.532 0.000) 22.793 5.535 ( -11.792 -0.368 0.000) 11.798 6.256 ( -26.266 -1.593 0.000) 26.315 6.519 ( -6.959 -13.938 -0.000) 15.579 7.117 ( -12.558 10.321 0.000) 16.255 7.336 ( -3.323 -0.892 -0.000) 3.441 7.898 ( -18.029 -10.397 -0.000) 20.812 8.218 ( 2.623 -5.397 -0.000) 6.000 8.448 ( 13.941 13.316 0.000) 19.279 8.551 ( 11.800 10.381 0.000) 15.716 9.226 ( 12.837 -2.593 -0.000) 13.096 9.540 ( 7.954 -3.962 -0.000) 8.886 9.612 ( -8.442 -5.165 -0.000) 9.897 9.691 ( 16.867 -2.521 -0.000) 17.054 9.964 ( 10.334 -6.533 -0.000) 12.226 10.345 ( 19.965 -8.250 -0.000) 21.603 10.418 ( 17.460 12.570 0.000) 21.514 10.650 ( 11.182 7.188 0.000) 13.293 10.944 ( -3.405 -1.602 -0.000) 3.763 11.025 ( -1.069 5.081 0.000) 5.192 11.465 ( 1.328 -11.269 -0.000) 11.346 11.855 ( 4.775 -22.417 -0.000) 22.920 12.011 ( -11.021 1.925 0.000) 11.188 12.251 ( -11.066 3.397 0.000) 11.576 13.037 ( 0.936 -3.541 -0.000) 3.662 13.200 ( -7.171 5.545 0.000) 9.065 14.088 ( 3.117 21.199 0.000) 21.427 14.617 ( -12.720 13.016 0.000) 18.199 14.757 ( -17.193 -2.402 0.000) 17.360 15.256 ( -6.927 -6.085 -0.000) 9.220 15.358 ( -2.233 -0.573 -0.000) 2.305 15.774 ( -4.335 -3.297 -0.000) 5.446 15.806 ( 6.911 5.764 0.000) 8.999 16.099 ( -0.229 10.602 0.000) 10.605 16.313 ( 7.495 -2.733 -0.000) 7.978 17.055 ( -10.503 -11.077 -0.000) 15.265 17.267 ( -12.900 -8.299 -0.000) 15.339 17.538 ( -7.222 -0.810 0.000) 7.267 17.544 ( -10.503 2.373 0.000) 10.768 17.959 ( -10.489 8.811 0.000) 13.698 18.782 ( 6.113 -4.979 -0.000) 7.884 18.972 ( 6.833 -5.142 -0.000) 8.551 ======================= Grid point 3 (4/84) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -19.582 11.374 -0.267) 22.648 1.192 ( 5.870 9.489 -0.558) 11.172 1.486 ( -10.596 -8.700 -1.395) 13.781 1.567 ( 0.677 -1.460 -5.464) 5.696 1.581 ( 3.009 1.347 -4.699) 5.740 1.701 ( 2.955 -0.471 4.905) 5.745 1.794 ( 0.622 0.828 1.855) 2.125 2.201 ( 11.519 -13.944 -1.127) 18.122 2.561 ( -7.112 10.158 0.127) 12.401 2.956 ( 2.918 -5.602 -1.107) 6.413 3.012 ( 20.302 -19.401 -1.876) 28.144 3.217 ( 5.019 2.291 -0.411) 5.532 3.327 ( 4.576 -0.394 -0.489) 4.619 3.615 ( -1.434 0.112 -3.619) 3.894 3.770 ( 5.186 5.814 1.177) 7.879 4.378 ( 41.862 -2.921 5.612) 42.338 4.490 ( 8.762 11.924 -0.384) 14.802 4.661 ( 13.554 1.549 -3.899) 14.189 5.124 ( 8.288 -8.866 6.050) 13.562 5.425 ( -15.311 4.733 -6.418) 17.263 5.624 ( -18.749 -7.602 5.246) 20.901 6.386 ( -8.813 5.051 -1.567) 10.278 7.024 ( -13.840 -13.978 -6.369) 20.676 7.388 ( -21.801 6.186 0.990) 22.684 7.451 ( -0.852 11.634 -4.825) 12.623 8.077 ( -5.093 12.990 5.377) 14.953 8.646 ( 6.774 -11.906 2.560) 13.935 8.870 ( 8.176 -10.055 -3.943) 13.546 9.463 ( 11.079 -1.498 3.273) 11.650 9.639 ( 22.601 3.752 -1.044) 22.934 9.683 ( 6.369 -1.403 -0.372) 6.532 9.998 ( 15.769 6.098 1.661) 16.989 10.145 ( 9.412 10.709 0.349) 14.261 10.518 ( 10.201 11.418 6.500) 16.634 10.735 ( 14.464 -13.721 -0.363) 19.940 10.838 ( -2.979 -3.381 1.313) 4.693 10.933 ( 7.915 0.834 -1.803) 8.160 11.194 ( 16.097 -10.934 -1.709) 19.534 11.453 ( -0.531 9.029 0.263) 9.048 11.838 ( -4.091 2.651 -1.468) 5.091 11.892 ( -6.769 5.183 0.006) 8.525 11.972 ( -2.388 -2.004 2.983) 4.314 12.736 ( -1.436 -5.189 9.521) 10.938 13.223 ( -8.641 4.923 -7.018) 12.172 14.119 ( -12.963 -6.621 -0.258) 14.559 14.273 ( 0.199 -15.529 1.782) 15.632 14.352 ( -24.738 -3.503 -0.434) 24.989 15.221 ( -8.368 5.419 -3.895) 10.703 15.531 ( -2.796 6.968 -5.176) 9.119 15.730 ( 1.017 6.636 0.670) 6.746 15.997 ( 5.952 -5.186 -0.581) 7.916 16.086 ( 3.791 -8.390 0.814) 9.243 16.466 ( 6.408 4.624 -0.263) 7.907 16.786 ( -11.774 4.271 -0.530) 12.535 17.213 ( -10.616 0.126 -4.793) 11.648 17.259 ( -5.878 5.229 2.891) 8.382 17.524 ( -15.311 -1.834 -5.294) 16.304 17.635 ( -13.284 -3.155 3.257) 14.037 18.653 ( 11.939 -2.948 13.531) 18.284 19.018 ( 3.014 4.411 -5.513) 7.677 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 12.043 20.040 0.000) 23.380 1.118 ( 10.939 -15.975 -0.000) 19.362 1.250 ( 9.405 4.898 0.000) 10.604 1.475 ( -13.954 14.851 0.000) 20.378 1.672 ( -1.779 -3.170 -0.000) 3.635 1.822 ( 5.548 -1.054 -0.000) 5.647 1.849 ( -16.132 -18.950 -0.000) 24.886 2.002 ( -5.465 3.879 0.000) 6.702 2.839 ( 8.278 9.859 0.000) 12.874 2.970 ( 5.237 -0.456 -0.000) 5.256 3.246 ( 0.719 1.438 0.000) 1.607 3.327 ( 0.519 -3.707 -0.000) 3.743 3.626 ( 7.714 4.381 0.000) 8.872 3.799 ( 5.021 -0.874 -0.000) 5.097 3.879 ( 15.281 17.319 0.000) 23.097 4.148 ( -2.061 -10.528 -0.000) 10.728 4.729 ( -12.340 -5.538 -0.000) 13.525 5.040 ( -12.246 0.627 0.000) 12.262 5.097 ( 18.919 -0.755 -0.000) 18.934 5.269 ( 17.957 0.532 -0.000) 17.965 6.018 ( -4.829 -6.526 -0.000) 8.119 6.143 ( 6.125 9.645 0.000) 11.426 7.004 ( -7.540 6.088 0.000) 9.691 7.016 ( -2.424 3.972 0.000) 4.653 7.074 ( -8.941 2.005 0.000) 9.163 7.795 ( -14.046 -19.385 -0.000) 23.939 8.958 ( 2.220 3.136 0.000) 3.843 9.065 ( 4.945 8.846 0.000) 10.135 9.776 ( 3.960 1.863 0.000) 4.376 9.778 ( 6.967 3.850 0.000) 7.960 9.975 ( 13.856 -0.191 -0.000) 13.857 10.163 ( 10.642 -4.622 -0.000) 11.602 10.225 ( 18.533 -4.677 -0.000) 19.114 10.312 ( -5.021 -19.057 -0.000) 19.708 10.846 ( 0.351 -0.197 -0.000) 0.403 11.075 ( 5.322 4.146 0.000) 6.746 11.149 ( 2.245 6.313 0.000) 6.700 11.445 ( -0.752 -3.989 -0.000) 4.060 11.646 ( 1.294 2.603 0.000) 2.907 11.777 ( 7.459 -4.718 -0.000) 8.825 11.807 ( 16.170 9.253 0.000) 18.630 12.047 ( 2.493 -1.409 -0.000) 2.863 12.638 ( -9.501 -8.425 -0.000) 12.698 12.831 ( -13.454 2.363 0.000) 13.660 13.879 ( -20.073 7.546 0.000) 21.445 13.910 ( -23.331 1.505 0.000) 23.380 14.787 ( 4.979 13.395 0.000) 14.291 14.868 ( -0.753 -7.531 -0.000) 7.569 15.364 ( 0.126 1.608 0.000) 1.613 15.549 ( -2.945 -8.320 -0.000) 8.826 16.210 ( 4.790 4.284 0.000) 6.426 16.429 ( 1.893 -6.693 -0.000) 6.956 16.432 ( 7.266 3.177 0.000) 7.931 16.527 ( -6.492 1.603 0.000) 6.687 16.894 ( -0.257 0.719 0.000) 0.763 17.171 ( -8.027 2.969 0.000) 8.558 17.256 ( -5.301 0.434 0.000) 5.319 17.531 ( -11.503 -0.238 0.000) 11.505 18.779 ( 0.542 -5.329 -0.000) 5.357 19.116 ( 2.847 -1.579 -0.000) 3.256 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -4.144 0.000 -0.458) 4.170 0.310 ( 4.144 -0.000 0.458) 4.170 1.600 ( 0.485 -0.000 -9.274) 9.287 1.600 ( -0.485 0.000 9.274) 9.287 1.788 ( -1.048 -0.000 -3.363) 3.523 1.788 ( 1.048 0.000 3.363) 3.523 2.223 ( -8.314 0.000 2.296) 8.625 2.223 ( 8.314 -0.000 -2.296) 8.625 2.562 ( -5.385 -0.000 -1.688) 5.644 2.562 ( 5.385 0.000 1.688) 5.644 3.417 ( 0.003 -0.000 -1.669) 1.669 3.417 ( -0.003 0.000 1.669) 1.669 3.708 ( -4.586 -0.000 -1.434) 4.805 3.708 ( 4.586 0.000 1.434) 4.805 3.961 ( -11.335 0.000 -0.376) 11.341 3.961 ( 11.335 -0.000 0.376) 11.341 4.971 ( -5.002 -0.000 -5.792) 7.653 4.971 ( 5.002 0.000 5.792) 7.653 5.259 ( -3.617 -0.000 -4.953) 6.134 5.259 ( 3.617 0.000 4.953) 6.134 6.023 ( -22.733 -0.000 -5.350) 23.354 6.023 ( 22.733 0.000 5.350) 23.354 6.633 ( -14.682 0.000 1.196) 14.730 6.633 ( 14.682 -0.000 -1.196) 14.730 7.809 ( 9.030 -0.000 -7.041) 11.450 7.809 ( -9.030 0.000 7.041) 11.450 8.788 ( -4.886 -0.000 -3.331) 5.913 8.788 ( 4.886 0.000 3.331) 5.913 9.760 ( -1.542 -0.000 -0.751) 1.715 9.760 ( 1.542 0.000 0.751) 1.715 10.440 ( 7.731 -0.000 -4.294) 8.843 10.440 ( -7.731 0.000 4.294) 8.843 10.673 ( 3.710 -0.000 -3.921) 5.398 10.673 ( -3.710 0.000 3.921) 5.398 10.875 ( -7.386 -0.000 -2.121) 7.685 10.875 ( 7.386 0.000 2.121) 7.685 11.145 ( -14.377 0.000 -0.080) 14.377 11.145 ( 14.377 -0.000 0.080) 14.377 11.669 ( -3.034 0.000 0.938) 3.176 11.669 ( 3.034 -0.000 -0.938) 3.176 11.987 ( 5.892 -0.000 -2.359) 6.347 11.987 ( -5.892 0.000 2.359) 6.347 12.980 ( -12.061 0.000 1.586) 12.164 12.980 ( 12.061 -0.000 -1.586) 12.164 13.265 ( -21.297 0.000 -2.811) 21.482 13.265 ( 21.297 -0.000 2.811) 21.482 14.741 ( -16.010 0.000 -0.944) 16.038 14.741 ( 16.010 -0.000 0.944) 16.038 15.720 ( 5.362 -0.000 -4.022) 6.703 15.720 ( -5.362 0.000 4.022) 6.703 16.285 ( -9.966 0.000 0.363) 9.973 16.285 ( 9.966 -0.000 -0.363) 9.973 16.477 ( -14.727 -0.000 -3.229) 15.077 16.477 ( 14.727 0.000 3.229) 15.077 17.016 ( 2.151 -0.000 -4.810) 5.269 17.016 ( -2.151 0.000 4.810) 5.269 17.217 ( -3.778 0.000 0.711) 3.844 17.217 ( 3.778 -0.000 -0.711) 3.844 19.017 ( -5.356 -0.000 -8.936) 10.418 19.017 ( 5.356 0.000 8.936) 10.418 ======================= Grid point 11 (7/84) ======================= q-point: (-0.23 -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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -0.000 -24.186 -6.464) 25.035 0.775 ( -0.000 -10.767 -21.920) 24.422 1.022 ( -0.000 -23.019 -16.946) 28.584 1.514 ( -0.000 -2.568 0.012) 2.568 1.663 ( -0.000 -6.861 3.153) 7.551 1.825 ( -0.000 -0.496 3.462) 3.498 1.930 ( 0.000 12.188 0.774) 12.213 1.933 ( 0.000 2.327 9.225) 9.514 2.238 ( 0.000 4.491 -2.797) 5.290 2.305 ( -0.000 -43.262 9.097) 44.208 2.627 ( -0.000 -10.353 1.769) 10.503 2.631 ( -0.000 -4.478 -2.389) 5.076 3.056 ( 0.000 0.959 -1.822) 2.059 3.132 ( 0.000 14.591 2.656) 14.830 3.182 ( 0.000 3.289 1.192) 3.498 3.659 ( 0.000 5.015 0.147) 5.017 4.040 ( 0.000 25.977 -18.450) 31.862 4.749 ( 0.000 20.046 -1.918) 20.137 4.823 ( -0.000 -24.120 4.145) 24.474 5.814 ( -0.000 -5.872 -3.766) 6.976 6.671 ( 0.000 31.442 -3.466) 31.633 6.957 ( 0.000 12.995 -0.129) 12.995 7.470 ( 0.000 1.839 -4.773) 5.115 7.641 ( -0.000 -9.450 2.885) 9.881 7.925 ( -0.000 -9.066 -3.158) 9.600 7.952 ( -0.000 -7.087 -3.190) 7.771 8.113 ( -0.000 -6.567 0.595) 6.594 8.945 ( -0.000 -2.397 1.734) 2.958 9.107 ( 0.000 9.198 9.192) 13.003 9.203 ( 0.000 10.399 0.768) 10.427 9.345 ( -0.000 -5.500 -1.349) 5.663 9.538 ( -0.000 -2.229 0.328) 2.253 9.725 ( 0.000 4.034 1.455) 4.288 9.951 ( -0.000 -5.897 -0.404) 5.911 9.968 ( 0.000 4.841 0.922) 4.928 10.361 ( 0.000 3.826 0.260) 3.835 10.497 ( -0.000 -10.485 -0.542) 10.499 11.077 ( -0.000 -5.749 0.052) 5.749 11.339 ( 0.000 1.249 -1.036) 1.623 11.743 ( 0.000 25.560 2.524) 25.685 12.330 ( -0.000 -3.565 -0.151) 3.568 12.613 ( -0.000 -8.396 13.371) 15.789 12.719 ( -0.000 -17.716 4.703) 18.329 13.194 ( 0.000 7.688 0.139) 7.689 13.956 ( -0.000 -34.755 9.707) 36.085 14.795 ( -0.000 -8.383 2.294) 8.691 15.238 ( 0.000 9.102 -4.189) 10.020 15.321 ( -0.000 0.158 -1.330) 1.339 15.540 ( 0.000 9.284 -3.355) 9.871 15.795 ( 0.000 9.099 0.736) 9.129 15.898 ( -0.000 -2.032 -6.234) 6.556 16.097 ( -0.000 -1.829 0.413) 1.875 16.308 ( -0.000 -15.396 4.716) 16.102 17.334 ( 0.000 21.366 -3.516) 21.653 17.547 ( 0.000 0.608 2.511) 2.583 17.788 ( 0.000 3.954 0.991) 4.077 17.878 ( 0.000 1.590 -12.343) 12.445 18.137 ( -0.000 -13.814 1.577) 13.904 18.354 ( -0.000 -9.847 16.122) 18.891 18.612 ( 0.000 3.488 -4.314) 5.547 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.28 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -2.338 7.700 13.522) 15.736 0.977 ( -6.276 10.978 12.598) 17.850 1.257 ( -19.490 -14.171 0.336) 24.100 1.558 ( 2.903 2.374 0.485) 3.781 1.684 ( 0.843 -4.527 -2.971) 5.480 1.836 ( 16.486 17.919 -0.057) 24.349 1.993 ( 6.972 -1.876 -10.940) 13.107 2.243 ( 9.407 -5.105 -2.249) 10.936 2.418 ( 15.290 16.632 2.256) 22.705 2.617 ( 6.300 9.056 0.725) 11.056 2.705 ( -7.444 -4.864 0.020) 8.893 3.003 ( 25.370 -19.068 -1.465) 31.771 3.104 ( 5.813 3.944 0.316) 7.032 3.167 ( 3.438 -0.527 -0.283) 3.489 3.337 ( 6.267 28.187 -2.311) 28.968 3.636 ( -0.077 1.517 1.130) 1.893 3.727 ( -1.348 9.196 6.937) 11.597 4.152 ( 1.357 -37.039 2.428) 37.143 5.426 ( 2.896 29.311 -4.265) 29.761 5.711 ( -3.785 -17.428 5.107) 18.551 6.306 ( -4.867 -0.641 0.362) 4.923 6.514 ( -11.950 -12.413 -0.805) 17.249 7.442 ( -0.183 3.789 3.284) 5.017 7.697 ( -3.374 0.927 -3.083) 4.663 7.806 ( -14.458 8.018 2.500) 16.720 8.224 ( -9.901 -6.109 -4.498) 12.473 8.466 ( 13.791 6.787 3.985) 15.878 8.574 ( -0.965 2.762 -1.227) 3.172 9.066 ( 4.513 -2.864 1.795) 5.638 9.279 ( 12.836 -3.837 -3.921) 13.960 9.391 ( 1.553 2.365 1.308) 3.117 9.562 ( -6.079 -8.043 -2.894) 10.489 9.726 ( 8.708 1.101 0.345) 8.785 9.848 ( 8.969 -6.265 -1.292) 11.017 10.300 ( 17.270 11.260 0.496) 20.622 10.560 ( 20.844 -12.594 -0.598) 24.361 10.794 ( 1.748 16.189 0.710) 16.298 11.179 ( -1.996 2.645 -0.270) 3.325 11.222 ( -2.232 -14.471 -0.071) 14.642 11.322 ( 3.076 -8.317 -0.717) 8.896 12.289 ( -10.133 2.666 1.016) 10.527 12.464 ( -11.892 -2.255 -5.446) 13.273 12.976 ( 3.831 -3.523 6.452) 8.289 13.170 ( 7.780 0.967 -4.111) 8.852 14.572 ( -4.057 25.545 -7.155) 26.837 14.804 ( -6.354 -13.874 1.117) 15.301 15.049 ( -4.108 10.809 -0.167) 11.565 15.169 ( -1.472 -12.084 4.416) 12.949 15.498 ( -0.014 4.072 1.306) 4.276 15.653 ( 1.372 -7.727 -0.661) 7.875 15.937 ( -1.768 4.645 5.001) 7.051 16.167 ( 1.998 -0.751 -1.467) 2.590 16.568 ( -9.202 20.816 -4.698) 23.239 16.838 ( -3.699 -20.238 1.407) 20.621 17.391 ( -7.585 -5.597 7.388) 11.977 17.632 ( -6.130 -1.476 -3.280) 7.107 17.859 ( -5.290 3.129 7.011) 9.323 18.251 ( -8.292 3.974 -5.376) 10.652 18.557 ( 5.016 -8.477 3.069) 10.318 18.638 ( 7.037 8.958 -12.786) 17.124 ======================= Grid point 13 (9/84) ======================= q-point: (-0.23 -0.03 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 6.340 -0.000 -25.974) 26.737 1.172 ( 15.967 -0.000 -1.458) 16.034 1.415 ( -13.574 0.000 -0.085) 13.575 1.529 ( 13.726 -0.000 -0.746) 13.746 1.533 ( -8.156 0.000 0.669) 8.184 1.596 ( -0.253 0.000 0.612) 0.662 1.869 ( -2.208 0.000 7.748) 8.056 1.901 ( -1.524 0.000 3.101) 3.455 2.199 ( 19.923 -0.000 -2.288) 20.054 2.817 ( 1.623 -0.000 -3.263) 3.644 2.900 ( 2.040 0.000 0.900) 2.230 3.136 ( 5.241 -0.000 -1.222) 5.382 3.151 ( 4.763 -0.000 0.424) 4.782 3.297 ( 37.231 -0.000 3.132) 37.362 3.772 ( 6.298 -0.000 -8.737) 10.770 3.791 ( 3.004 0.000 0.890) 3.134 4.012 ( 28.444 -0.000 -0.256) 28.445 4.779 ( 5.766 0.000 2.802) 6.411 4.821 ( -0.966 -0.000 -1.134) 1.489 5.583 ( -7.608 -0.000 -3.601) 8.417 6.233 ( -29.030 0.000 3.291) 29.216 6.666 ( -14.611 0.000 -0.673) 14.627 7.063 ( -15.397 -0.000 -4.963) 16.177 7.429 ( 2.520 -0.000 -4.284) 4.970 8.006 ( -24.906 0.000 1.398) 24.945 8.284 ( 10.119 -0.000 -0.185) 10.121 8.284 ( 11.628 -0.000 1.230) 11.693 8.421 ( 14.086 -0.000 -2.332) 14.277 9.265 ( 13.609 -0.000 -0.840) 13.635 9.562 ( -7.782 0.000 8.211) 11.313 9.580 ( 6.337 -0.000 0.728) 6.379 9.713 ( 18.969 -0.000 0.433) 18.974 10.128 ( 14.813 -0.000 -0.220) 14.815 10.193 ( 13.874 -0.000 0.071) 13.874 10.393 ( 21.751 -0.000 3.434) 22.020 10.583 ( 14.802 -0.000 -0.434) 14.809 10.946 ( -7.854 0.000 0.534) 7.872 10.981 ( -1.567 -0.000 -0.987) 1.852 11.593 ( 2.882 0.000 0.610) 2.946 11.997 ( -9.643 0.000 -0.585) 9.660 12.127 ( -7.191 0.000 1.643) 7.376 12.183 ( -8.857 0.000 3.318) 9.459 12.796 ( 8.795 0.000 15.419) 17.751 13.227 ( -2.023 -0.000 -5.220) 5.599 13.815 ( 11.334 -0.000 0.750) 11.359 14.477 ( -14.301 0.000 0.209) 14.303 14.782 ( -20.933 0.000 -0.890) 20.952 15.351 ( -5.489 -0.000 -2.532) 6.045 15.555 ( -9.430 -0.000 -13.071) 16.118 15.731 ( 4.791 -0.000 0.574) 4.825 15.768 ( 1.137 -0.000 -0.234) 1.161 16.025 ( 0.898 0.000 0.757) 1.174 16.344 ( 9.026 -0.000 0.003) 9.026 17.136 ( -14.695 0.000 1.459) 14.767 17.418 ( -15.608 0.000 -2.894) 15.874 17.505 ( -7.882 0.000 -1.120) 7.962 17.678 ( -9.260 -0.000 -5.842) 10.949 17.790 ( -8.779 0.000 1.694) 8.941 18.768 ( 12.298 0.000 20.864) 24.219 18.875 ( 6.104 -0.000 -3.764) 7.171 ======================= Grid point 14 (10/84) ======================= q-point: ( 0.28 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -4.492 -5.068 -0.311) 6.779 0.869 ( 9.345 17.011 -0.024) 19.409 1.314 ( 6.509 4.993 10.629) 13.427 1.639 ( 1.217 -2.146 1.155) 2.724 1.706 ( 1.915 0.020 -0.746) 2.055 1.823 ( -16.576 -16.560 0.538) 23.437 1.986 ( -3.416 2.267 -12.660) 13.307 2.180 ( -12.104 12.834 -0.870) 17.663 2.605 ( 11.185 -12.362 1.601) 16.747 2.881 ( 10.247 9.980 0.254) 14.306 3.228 ( 1.350 -1.761 0.617) 2.303 3.308 ( 1.928 1.408 -0.660) 2.477 3.574 ( 11.416 -22.928 0.788) 25.625 3.632 ( 7.592 -1.104 0.745) 7.708 3.652 ( 1.509 -0.582 -0.095) 1.620 4.123 ( 12.326 23.768 0.408) 26.777 4.376 ( 37.455 -5.570 2.829) 37.972 4.685 ( 25.595 4.937 -3.909) 26.358 5.146 ( -13.048 -4.367 4.491) 14.474 5.466 ( -19.078 3.564 -4.637) 19.954 5.782 ( -2.529 -17.490 3.750) 18.065 6.285 ( -2.181 10.938 -2.544) 11.440 7.216 ( -18.196 5.456 0.815) 19.014 7.263 ( -9.428 4.780 -1.721) 10.710 7.575 ( -9.257 -15.750 -6.370) 19.348 7.674 ( -7.909 16.707 3.188) 18.757 8.819 ( 6.376 -9.522 2.490) 11.727 9.059 ( 5.937 0.621 -2.181) 6.356 9.459 ( 17.747 -2.977 1.467) 18.055 9.571 ( 19.779 2.893 -0.722) 20.003 9.799 ( 11.076 -5.614 -1.044) 12.461 9.837 ( 12.245 6.165 1.649) 13.809 10.038 ( 4.259 -4.265 -0.133) 6.029 10.160 ( 5.886 11.169 2.826) 12.937 10.845 ( -0.619 -0.725 1.816) 2.051 10.936 ( 9.587 -2.639 -1.715) 10.091 11.063 ( 10.811 -11.138 -0.647) 15.536 11.242 ( 5.240 10.510 0.816) 11.772 11.467 ( 14.768 -11.850 -1.500) 18.994 11.643 ( 12.886 11.879 0.673) 17.538 11.879 ( -6.638 1.712 2.125) 7.177 11.957 ( -9.908 -1.804 -2.132) 10.294 12.723 ( -8.606 -9.913 6.676) 14.727 13.231 ( -11.075 7.543 -5.136) 14.350 14.277 ( -15.593 -7.300 -0.100) 17.218 14.375 ( -20.676 1.769 -0.194) 20.753 14.599 ( -1.819 -18.468 2.008) 18.666 15.103 ( -6.866 14.887 -3.650) 16.795 15.509 ( -2.894 0.323 -1.312) 3.194 15.541 ( -1.805 9.042 1.201) 9.299 16.111 ( 5.531 -5.975 1.349) 8.253 16.267 ( 2.277 -4.266 -2.084) 5.265 16.376 ( 2.891 -0.695 1.608) 3.380 16.685 ( -4.994 11.265 -5.044) 13.315 17.050 ( -4.742 1.790 8.237) 9.671 17.327 ( -8.361 0.635 -4.643) 9.585 17.515 ( -11.022 1.389 5.066) 12.210 17.713 ( -17.071 -2.835 -4.645) 17.917 18.596 ( 7.309 -9.577 5.134) 13.096 19.025 ( 4.046 5.280 -4.976) 8.307 ======================= Grid point 15 (11/84) ======================= q-point: (-0.23 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( -4.515 4.983 -0.326) 6.732 0.969 ( -19.591 19.608 0.077) 27.719 1.293 ( 8.406 2.224 -10.886) 13.932 1.629 ( 12.303 -16.757 0.270) 20.790 1.743 ( 1.742 -4.286 0.701) 4.679 1.787 ( 2.628 -0.842 3.342) 4.334 1.873 ( -1.719 2.294 4.210) 5.093 2.201 ( -9.341 -12.535 -0.882) 15.658 2.590 ( 8.920 11.246 0.132) 14.355 2.883 ( -5.466 10.132 -1.009) 11.557 3.291 ( 5.452 -2.280 -1.339) 6.059 3.375 ( 5.337 -0.258 0.350) 5.355 3.479 ( 19.711 13.265 -0.576) 23.766 3.588 ( 6.417 1.981 -2.672) 7.228 3.898 ( 4.328 -4.024 0.996) 5.993 4.282 ( -13.467 -1.920 -1.481) 13.683 4.923 ( -6.533 -7.497 -4.231) 10.806 5.023 ( -3.034 -4.312 4.502) 6.933 5.125 ( 10.430 0.914 -2.458) 10.755 5.219 ( 11.097 0.906 3.161) 11.574 5.810 ( 18.900 15.184 4.595) 24.675 6.168 ( -8.701 -6.974 -2.703) 11.474 6.699 ( -8.221 17.500 -2.007) 19.438 6.989 ( -18.994 -3.025 1.078) 19.263 7.388 ( 4.193 -14.572 -3.952) 15.670 8.045 ( -12.063 -13.222 7.233) 19.304 8.827 ( 6.122 10.251 0.462) 11.949 8.867 ( 1.766 9.929 -3.299) 10.611 9.714 ( 7.147 1.711 1.166) 7.441 9.750 ( 1.993 0.669 -0.400) 2.140 10.046 ( 18.321 -3.199 -1.662) 18.673 10.339 ( 11.454 -10.417 0.602) 15.494 10.345 ( 12.651 -9.113 1.014) 15.624 10.676 ( -5.656 -17.725 3.773) 18.984 10.873 ( 0.763 2.766 -0.689) 2.951 10.928 ( 1.611 4.428 -0.941) 4.805 10.996 ( 11.725 10.837 -1.152) 16.007 11.466 ( -4.046 0.608 2.289) 4.688 11.618 ( 13.866 3.317 -0.121) 14.257 11.671 ( 5.754 2.678 -1.968) 6.645 11.824 ( -1.778 0.181 0.355) 1.822 11.969 ( 0.086 4.141 1.016) 4.265 12.834 ( -6.222 -7.186 -1.062) 9.565 12.902 ( -4.436 -9.687 0.380) 10.661 13.654 ( -23.239 12.730 0.659) 26.505 13.818 ( -25.833 6.398 -0.643) 26.622 14.525 ( 13.763 9.793 1.015) 16.922 14.983 ( -9.443 -1.967 -1.691) 9.793 15.443 ( 4.192 -5.129 -3.427) 7.458 15.742 ( -2.299 -10.092 1.160) 10.416 16.138 ( 7.283 3.357 -0.367) 8.028 16.260 ( 11.323 5.547 1.834) 12.741 16.531 ( -4.667 -2.498 1.533) 5.511 16.576 ( -5.236 -1.671 -1.455) 5.685 16.942 ( -4.105 0.756 -4.982) 6.499 17.140 ( -7.380 2.619 -2.538) 8.232 17.247 ( -5.062 -2.081 2.082) 5.856 17.453 ( -11.730 3.856 2.146) 12.533 18.920 ( -1.907 -3.349 -4.524) 5.943 19.083 ( 5.114 -2.646 8.542) 10.301 ======================= Grid point 16 (12/84) ======================= q-point: ( 0.28 -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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -17.252 -20.540 0.095) 26.824 0.589 ( 16.576 -20.679 -0.210) 26.503 1.424 ( -4.106 -0.974 6.648) 7.874 1.702 ( 1.639 2.298 1.433) 3.166 1.775 ( 1.457 0.677 -4.944) 5.199 1.860 ( 2.319 5.013 -3.001) 6.286 1.958 ( -12.962 15.748 0.097) 20.396 1.981 ( 8.118 14.788 -0.305) 16.873 2.736 ( 7.335 -12.411 1.464) 14.491 2.780 ( -7.416 -13.623 -0.351) 15.514 3.355 ( -0.656 2.713 1.220) 3.047 3.411 ( -0.115 3.632 -0.834) 3.728 3.711 ( -2.092 -3.030 1.367) 3.928 3.779 ( -0.930 -3.586 -1.084) 3.860 3.994 ( 13.299 -3.803 0.531) 13.842 4.010 ( -13.620 -4.411 -0.187) 14.318 4.729 ( 5.231 8.996 4.258) 11.244 4.967 ( -5.472 8.310 -4.537) 10.936 5.257 ( 2.410 -6.108 3.185) 7.298 5.417 ( -1.285 -3.619 -2.815) 4.762 5.949 ( 15.269 -1.801 3.731) 15.822 6.167 ( -13.000 -1.527 -4.217) 13.752 6.664 ( -6.214 -6.009 1.054) 8.709 6.728 ( 4.296 -8.591 -1.362) 9.701 7.528 ( -9.984 13.890 4.061) 17.582 7.801 ( 11.011 14.734 -6.406) 19.477 8.824 ( 3.924 -9.674 3.612) 11.047 8.959 ( -4.909 -9.396 -1.762) 10.746 9.760 ( 1.264 -1.548 0.502) 2.061 9.786 ( -0.781 -1.485 -0.504) 1.752 10.310 ( -7.850 6.198 2.213) 10.244 10.459 ( 8.274 10.859 -2.637) 13.904 10.462 ( 2.822 8.603 0.534) 9.069 10.536 ( 2.019 10.477 -1.286) 10.747 10.837 ( 3.515 -2.864 4.277) 6.233 10.989 ( -3.370 -6.068 -1.931) 7.204 11.188 ( -8.778 -1.404 1.867) 9.084 11.300 ( 9.993 -6.945 -2.183) 12.364 11.679 ( -6.876 -3.520 0.434) 7.737 11.704 ( 5.810 -3.795 -0.496) 6.957 11.960 ( -3.302 -1.372 1.366) 3.828 12.044 ( 3.623 -0.774 -1.743) 4.095 12.762 ( -1.568 11.912 1.731) 12.138 12.862 ( -1.576 10.492 -1.981) 10.793 13.410 ( 9.635 -12.747 1.393) 16.039 13.479 ( -8.909 -11.023 -1.171) 14.222 14.760 ( 12.720 -3.199 0.803) 13.140 14.811 ( -14.329 -4.382 -1.108) 15.025 15.556 ( -6.522 7.339 2.206) 10.063 15.666 ( 4.462 10.605 -1.854) 11.654 16.265 ( -4.474 -0.283 0.820) 4.557 16.318 ( 6.863 -2.222 -1.174) 7.308 16.452 ( 8.947 -0.679 1.757) 9.143 16.584 ( -12.964 -1.083 -3.896) 13.580 16.923 ( -2.535 -2.536 5.814) 6.831 17.112 ( -3.816 -1.346 -1.121) 4.199 17.202 ( -0.404 1.065 -0.135) 1.147 17.258 ( 6.207 -3.018 -1.923) 7.165 18.834 ( 6.675 1.102 5.783) 8.901 19.154 ( -2.019 3.209 -5.999) 7.096 ======================= Grid point 17 (13/84) ======================= q-point: (-0.23 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -11.492 19.354 0.352) 22.511 1.107 ( -11.309 -16.347 0.324) 19.881 1.422 ( -2.627 -1.593 -5.795) 6.559 1.476 ( 13.285 14.145 -1.573) 19.469 1.659 ( -0.598 0.729 -3.257) 3.391 1.756 ( -0.514 -1.191 3.650) 3.874 1.848 ( 10.739 -14.008 0.409) 17.656 1.976 ( 5.787 -4.511 7.680) 10.622 2.814 ( -8.908 11.556 -2.228) 14.760 3.023 ( -3.592 -1.285 0.020) 3.815 3.261 ( -1.865 -0.023 0.110) 1.869 3.325 ( 0.311 -3.957 0.071) 3.969 3.716 ( -5.778 0.714 -0.291) 5.829 3.723 ( -5.608 1.503 0.155) 5.808 3.875 ( -12.332 13.660 -0.331) 18.406 4.214 ( 0.814 -11.845 0.667) 11.892 4.726 ( 11.453 0.122 -4.751) 12.400 5.041 ( 9.952 -4.628 4.546) 11.880 5.102 ( -17.443 1.034 -1.935) 17.580 5.245 ( -16.532 -0.441 2.454) 16.718 5.864 ( -7.149 13.425 -4.315) 15.810 6.213 ( 4.397 -3.225 2.604) 6.043 6.911 ( 10.341 2.490 -1.272) 10.712 7.186 ( 1.230 -2.426 2.858) 3.946 7.356 ( 8.903 5.953 6.022) 12.287 7.451 ( 13.091 -17.587 -3.676) 22.230 8.929 ( -4.618 8.673 -2.842) 10.228 9.137 ( -1.659 1.006 1.778) 2.632 9.747 ( -8.063 4.623 -0.662) 9.318 9.837 ( -5.301 1.561 0.527) 5.551 10.040 ( -6.929 1.236 0.982) 7.106 10.110 ( -13.129 -6.901 -1.920) 14.956 10.190 ( -14.766 -4.830 0.767) 15.554 10.217 ( -4.416 -9.238 -1.299) 10.322 10.862 ( -2.163 3.202 -3.794) 5.415 11.064 ( -3.594 0.938 2.722) 4.605 11.280 ( 2.983 -3.163 -2.051) 4.807 11.302 ( -7.657 7.830 1.489) 11.053 11.684 ( -2.675 2.508 0.811) 3.756 11.731 ( -4.019 -4.558 -0.542) 6.101 11.905 ( -10.867 8.154 2.069) 13.743 11.964 ( -5.815 -2.882 -1.023) 6.570 12.570 ( 3.994 1.224 -4.184) 5.913 12.922 ( 17.594 -9.053 4.212) 20.230 13.844 ( 21.977 8.422 -0.610) 23.543 13.935 ( 21.257 1.544 0.275) 21.315 14.690 ( -7.325 10.964 -1.094) 13.232 14.999 ( 4.104 -8.764 2.333) 9.954 15.459 ( 1.466 -1.432 1.128) 2.339 15.490 ( 3.579 -8.568 -1.054) 9.345 16.250 ( -7.890 4.947 -1.112) 9.379 16.311 ( -2.803 4.794 0.708) 5.598 16.385 ( 2.303 -1.610 -1.429) 3.152 16.635 ( 1.217 -8.134 5.434) 9.858 17.001 ( 0.678 -1.069 -7.247) 7.357 17.197 ( 4.130 -0.087 2.627) 4.895 17.297 ( 10.666 -1.668 -2.893) 11.177 17.413 ( 11.071 5.661 4.021) 13.069 18.729 ( -5.637 4.602 -5.443) 9.087 19.084 ( -1.714 -3.744 4.727) 6.269 ======================= Grid point 18 (14/84) ======================= q-point: ( 0.28 -0.03 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 20.446 -0.000 0.048) 20.446 1.038 ( 20.332 -0.000 0.473) 20.338 1.082 ( -7.215 0.000 18.517) 19.873 1.620 ( -11.300 0.000 -1.558) 11.407 1.695 ( -8.046 0.000 -0.808) 8.086 1.844 ( 0.542 -0.000 -5.883) 5.908 1.845 ( -1.351 -0.000 -2.454) 2.801 1.915 ( -13.515 0.000 0.534) 13.525 2.665 ( -19.779 0.000 2.448) 19.930 2.805 ( -3.296 0.000 2.468) 4.118 2.819 ( 7.760 -0.000 -1.820) 7.971 3.258 ( -6.202 0.000 1.652) 6.419 3.283 ( -7.050 0.000 0.084) 7.051 3.496 ( -1.159 0.000 6.119) 6.228 3.867 ( -4.511 -0.000 -0.945) 4.608 4.475 ( -41.186 0.000 -5.058) 41.495 4.590 ( -27.520 0.000 1.706) 27.573 4.597 ( 12.762 -0.000 2.121) 12.937 5.122 ( -20.577 -0.000 -4.008) 20.963 5.372 ( 13.258 0.000 3.911) 13.823 5.657 ( 27.539 -0.000 -3.803) 27.801 6.447 ( 6.603 -0.000 -0.198) 6.606 6.716 ( 18.697 0.000 4.771) 19.297 7.476 ( 8.065 -0.000 1.493) 8.203 7.509 ( 13.640 -0.000 1.316) 13.703 8.373 ( 3.008 -0.000 -6.348) 7.025 8.513 ( -10.545 0.000 -1.403) 10.638 8.647 ( -7.853 0.000 5.149) 9.391 9.533 ( -5.866 -0.000 -3.805) 6.991 9.647 ( -22.363 0.000 1.268) 22.399 9.691 ( -4.368 0.000 -0.415) 4.388 10.110 ( -19.724 0.000 -1.521) 19.782 10.349 ( -8.967 0.000 0.687) 8.993 10.501 ( -16.414 0.000 -0.427) 16.419 10.787 ( -14.810 -0.000 -5.315) 15.735 10.804 ( 5.049 -0.000 -0.439) 5.068 10.950 ( 0.583 0.000 2.305) 2.378 11.009 ( -26.026 0.000 0.295) 26.028 11.566 ( 5.086 -0.000 0.275) 5.093 11.807 ( 8.892 -0.000 1.634) 9.041 11.968 ( 7.413 -0.000 -2.505) 7.825 11.990 ( 9.757 -0.000 -0.235) 9.760 12.901 ( -3.418 -0.000 -8.462) 9.126 13.136 ( 7.185 0.000 5.840) 9.259 14.067 ( 26.351 -0.000 -0.071) 26.352 14.087 ( -15.478 0.000 -0.744) 15.495 14.299 ( 26.881 -0.000 0.578) 26.887 15.205 ( 8.891 0.000 2.145) 9.146 15.456 ( 0.669 0.000 8.109) 8.136 15.806 ( -5.750 0.000 -0.543) 5.776 15.917 ( -9.140 0.000 0.176) 9.142 16.042 ( -2.014 -0.000 -1.335) 2.416 16.511 ( -7.187 0.000 0.180) 7.189 16.832 ( 15.297 -0.000 -1.091) 15.336 17.128 ( 12.575 0.000 3.228) 12.983 17.313 ( 11.248 0.000 3.760) 11.859 17.473 ( 10.054 -0.000 -0.048) 10.054 17.592 ( 10.626 -0.000 -1.281) 10.703 18.960 ( -2.169 0.000 3.808) 4.382 18.976 ( -8.669 -0.000 -14.502) 16.895 ======================= Grid point 19 (15/84) ======================= q-point: (-0.23 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 2.004 2.432 -0.332) 3.168 0.868 ( 17.017 9.371 0.082) 19.427 1.053 ( -6.550 -5.659 -20.910) 22.631 1.619 ( -3.065 -1.592 0.665) 3.517 1.697 ( -0.678 3.986 1.541) 4.327 1.967 ( 1.918 -3.892 11.583) 12.369 2.161 ( 6.775 -11.900 1.454) 13.770 2.236 ( -5.982 -12.464 -0.020) 13.825 2.524 ( 6.224 7.174 -0.012) 9.497 2.603 ( -12.065 10.575 -1.895) 16.155 3.143 ( -23.442 -26.100 -1.907) 35.134 3.195 ( -2.789 -1.466 -1.006) 3.307 3.242 ( -6.012 -2.396 0.452) 6.487 3.479 ( -5.511 -3.302 -4.948) 8.109 3.636 ( -15.058 6.003 1.195) 16.255 3.665 ( -21.054 9.527 -0.043) 23.109 3.885 ( -24.205 -18.587 3.093) 30.675 4.200 ( -4.110 29.016 -2.719) 29.432 5.489 ( -1.845 -22.301 4.349) 22.796 5.549 ( 12.858 5.947 -4.786) 14.953 6.179 ( 12.875 3.973 1.754) 13.588 6.215 ( 9.024 11.666 -1.137) 14.793 7.412 ( 15.774 -8.813 -2.038) 18.183 7.439 ( 2.627 -12.973 -3.192) 13.616 7.664 ( 14.202 10.287 1.099) 17.571 7.974 ( 4.188 11.724 5.965) 13.805 8.721 ( -10.979 -5.227 -3.445) 12.638 8.751 ( -11.893 -9.077 0.678) 14.976 9.182 ( -10.842 1.403 -1.236) 11.002 9.390 ( -1.804 5.881 4.840) 7.828 9.538 ( -8.143 -0.171 -1.732) 8.327 9.630 ( -13.511 2.619 0.413) 13.769 9.899 ( -8.173 -0.616 -0.243) 8.200 10.101 ( -13.576 11.940 1.929) 18.182 10.654 ( -15.236 -10.119 -0.558) 18.298 10.849 ( -6.661 0.820 0.653) 6.743 10.873 ( -6.711 -7.778 -0.411) 10.281 11.168 ( -2.995 -2.645 -0.579) 4.038 11.199 ( -1.094 9.906 -0.502) 9.979 11.461 ( -11.160 13.031 1.843) 17.255 12.067 ( 11.529 -1.743 -1.606) 11.770 12.220 ( 11.766 1.322 3.385) 12.314 13.019 ( 1.079 5.757 -6.937) 9.079 13.230 ( 2.582 -5.150 5.861) 8.218 14.463 ( 6.451 -18.184 2.559) 19.463 14.647 ( 9.439 8.962 -1.048) 13.058 14.917 ( 9.319 -16.857 2.760) 19.458 15.088 ( 7.361 13.458 -2.420) 15.529 15.454 ( 3.286 -3.835 -3.367) 6.070 15.637 ( 2.806 6.911 0.641) 7.486 15.971 ( -5.388 -6.418 -2.947) 8.883 16.222 ( -3.485 3.925 2.247) 5.709 16.408 ( 5.136 -16.929 0.886) 17.713 16.742 ( 5.456 16.172 1.124) 17.104 17.214 ( 9.260 4.307 -7.870) 12.893 17.477 ( 8.693 -1.218 4.715) 9.964 17.698 ( 10.348 -2.336 -6.534) 12.459 18.031 ( 12.989 -1.888 4.787) 13.971 18.675 ( -6.100 9.423 -3.602) 11.789 18.798 ( -8.139 -5.149 10.108) 13.962 ======================= Grid point 20 (16/84) ======================= q-point: ( 0.28 -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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -6.911 5.825 3.458) 9.677 0.854 ( -3.984 3.315 30.031) 30.475 1.326 ( -20.741 20.681 3.309) 29.476 1.534 ( -0.446 1.500 -0.484) 1.638 1.595 ( 14.469 -9.977 0.249) 17.577 1.784 ( -0.166 -4.972 -5.506) 7.421 1.946 ( -3.013 6.642 -8.618) 11.290 2.084 ( -10.397 14.731 1.075) 18.063 2.246 ( 2.064 8.354 1.469) 8.730 2.549 ( -16.899 16.094 -5.483) 23.972 2.584 ( -21.147 7.458 -3.666) 22.721 2.780 ( -2.678 -0.753 1.278) 3.061 3.085 ( -3.975 1.702 0.782) 4.394 3.172 ( 0.075 0.121 -1.104) 1.113 3.363 ( -20.802 -14.029 -1.386) 25.129 3.670 ( -1.220 -5.110 -0.245) 5.259 3.848 ( 12.941 -12.858 18.574) 26.035 4.729 ( 2.221 -19.366 2.202) 19.617 4.876 ( -5.210 23.539 -4.242) 24.479 5.757 ( 5.433 5.470 3.988) 8.680 6.628 ( 5.203 -23.388 1.512) 24.007 6.724 ( 19.139 -8.587 -0.638) 20.987 7.398 ( 7.140 1.268 4.800) 8.696 7.498 ( 11.862 11.004 3.029) 16.461 7.865 ( -7.161 -6.265 -3.333) 10.082 8.201 ( -10.387 6.333 2.477) 12.415 8.264 ( -12.077 10.846 1.922) 16.346 8.561 ( 21.444 0.394 -2.086) 21.549 9.133 ( 2.160 -2.170 0.449) 3.095 9.353 ( -12.828 -3.783 -2.266) 13.565 9.395 ( -7.632 -2.483 0.053) 8.026 9.707 ( 8.710 -5.194 -6.583) 12.090 9.733 ( -12.616 -1.559 -0.076) 12.712 9.948 ( -14.046 -3.117 -2.069) 14.536 10.087 ( -13.474 9.492 0.451) 16.488 10.524 ( -3.121 10.083 0.479) 10.566 10.831 ( -19.730 -14.055 -3.123) 24.425 11.063 ( 1.228 5.181 0.288) 5.332 11.360 ( -4.392 -3.770 0.150) 5.790 11.746 ( -0.909 -26.806 -3.106) 27.001 12.226 ( 8.799 2.778 0.588) 9.245 12.414 ( 11.423 7.956 -6.674) 15.438 12.894 ( -8.558 11.423 -6.647) 15.745 13.227 ( -1.302 -3.501 -1.020) 3.872 13.972 ( -1.941 30.309 -6.598) 31.080 14.750 ( 4.688 8.405 -1.998) 9.830 15.089 ( 12.047 -4.796 3.037) 13.318 15.353 ( 0.100 -4.909 2.408) 5.468 15.527 ( 1.072 -7.471 4.717) 8.900 15.773 ( 2.555 -0.271 1.170) 2.823 15.889 ( 0.921 -3.970 4.163) 5.826 16.155 ( 3.192 13.147 -1.011) 13.567 16.178 ( -0.210 5.065 -0.922) 5.152 17.248 ( 8.010 -17.111 1.712) 18.971 17.500 ( 4.729 -4.866 -0.173) 6.787 17.667 ( 10.632 -3.084 1.049) 11.120 17.821 ( 5.408 1.013 8.302) 9.959 18.104 ( 5.401 10.640 -1.583) 12.037 18.500 ( -12.450 3.745 -19.680) 23.586 18.689 ( -6.536 -4.406 4.004) 8.841 ======================= Grid point 21 (17/84) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -0.000 -14.889 -1.104) 14.930 1.295 ( -0.000 -7.492 -7.393) 10.525 1.495 ( 0.000 -0.021 14.966) 14.966 1.524 ( -0.000 -3.046 -4.589) 5.508 1.643 ( 0.000 2.816 6.984) 7.530 1.649 ( 0.000 10.988 -0.144) 10.989 1.764 ( -0.000 -6.515 -17.452) 18.628 1.952 ( 0.000 7.875 1.685) 8.054 2.221 ( -0.000 -15.198 -2.138) 15.348 2.650 ( 0.000 21.961 3.606) 22.255 2.735 ( -0.000 -4.163 2.436) 4.824 2.770 ( -0.000 -1.599 -3.445) 3.798 3.076 ( -0.000 -3.505 1.625) 3.864 3.079 ( 0.000 0.822 -1.906) 2.076 3.230 ( -0.000 -42.408 1.182) 42.425 3.613 ( -0.000 -1.897 3.822) 4.267 3.864 ( 0.000 9.538 0.334) 9.543 4.226 ( 0.000 37.264 -5.403) 37.654 5.280 ( -0.000 -30.881 6.065) 31.471 5.863 ( 0.000 20.689 -5.267) 21.349 6.344 ( -0.000 -5.141 0.464) 5.162 6.643 ( 0.000 17.647 -0.554) 17.655 7.573 ( -0.000 0.375 -6.812) 6.823 7.580 ( 0.000 0.377 6.198) 6.210 8.191 ( -0.000 -5.337 1.081) 5.445 8.211 ( -0.000 -4.421 -4.186) 6.088 8.306 ( -0.000 -15.339 -4.761) 16.061 8.654 ( 0.000 17.955 5.746) 18.853 8.944 ( -0.000 -3.258 3.100) 4.497 9.025 ( 0.000 5.552 -0.378) 5.564 9.542 ( -0.000 -9.242 -1.766) 9.410 9.555 ( -0.000 -1.259 0.069) 1.261 9.615 ( 0.000 2.652 0.503) 2.700 9.772 ( 0.000 10.989 1.607) 11.105 10.100 ( -0.000 -7.826 -0.075) 7.826 10.248 ( 0.000 6.515 0.327) 6.523 10.803 ( -0.000 -17.606 -1.215) 17.647 11.182 ( 0.000 7.763 1.212) 7.857 11.229 ( 0.000 8.007 1.109) 8.083 11.310 ( 0.000 3.934 -0.773) 4.009 12.431 ( -0.000 -5.001 -1.255) 5.156 12.504 ( 0.000 1.359 3.109) 3.393 12.889 ( -0.000 -12.057 6.206) 13.561 13.080 ( 0.000 7.217 -2.846) 7.758 14.455 ( -0.000 -29.681 5.380) 30.165 14.865 ( 0.000 2.980 0.721) 3.066 15.128 ( 0.000 4.733 -2.294) 5.260 15.278 ( 0.000 9.995 -2.843) 10.392 15.503 ( -0.000 -2.524 -0.780) 2.642 15.614 ( 0.000 7.226 0.620) 7.253 16.073 ( -0.000 -3.521 -3.747) 5.142 16.099 ( -0.000 -0.647 3.327) 3.390 16.537 ( -0.000 -19.506 5.411) 20.243 16.974 ( 0.000 22.890 -5.714) 23.592 17.569 ( -0.000 -2.943 -1.992) 3.554 17.631 ( 0.000 4.089 5.617) 6.948 18.139 ( -0.000 1.019 -13.841) 13.879 18.143 ( 0.000 1.260 9.356) 9.440 18.371 ( -0.000 -12.930 3.881) 13.500 18.597 ( 0.000 9.254 -5.926) 10.989 ======================= Grid point 22 (18/84) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 10.512 9.259 0.000) 14.008 0.698 ( 8.979 7.746 0.000) 11.858 1.309 ( 26.127 25.794 0.000) 36.715 1.534 ( 2.885 0.777 0.000) 2.988 1.594 ( -19.507 -13.772 -0.000) 23.879 1.842 ( -0.680 -6.609 -0.000) 6.644 2.006 ( 12.153 18.661 0.000) 22.269 2.136 ( -2.229 7.747 0.000) 8.061 2.210 ( 2.464 6.621 0.000) 7.064 2.547 ( 7.060 -4.285 -0.000) 8.259 2.764 ( 3.052 -0.409 -0.000) 3.079 2.866 ( 20.044 18.351 0.000) 27.176 3.085 ( 5.376 3.463 0.000) 6.394 3.194 ( -0.226 0.588 0.000) 0.630 3.346 ( 8.069 -6.164 -0.000) 10.154 3.400 ( 12.759 -7.590 -0.000) 14.846 3.671 ( 1.376 -5.706 -0.000) 5.869 4.704 ( -2.408 -19.308 -0.000) 19.457 4.923 ( 5.169 23.578 0.000) 24.138 5.698 ( -4.385 5.863 0.000) 7.321 6.605 ( -2.022 -22.974 -0.000) 23.063 6.736 ( -20.042 -7.483 -0.000) 21.394 7.344 ( -7.687 2.650 0.000) 8.131 7.464 ( -11.118 11.066 0.000) 15.687 7.915 ( 5.352 -6.916 -0.000) 8.745 8.143 ( 16.079 13.521 0.000) 21.009 8.255 ( 9.706 6.985 0.000) 11.958 8.586 ( -24.152 0.248 0.000) 24.154 9.128 ( -2.487 -2.027 -0.000) 3.209 9.386 ( 6.416 -5.024 -0.000) 8.150 9.387 ( 12.438 -0.785 -0.000) 12.463 9.734 ( 12.710 -1.420 -0.000) 12.789 9.807 ( -6.848 -8.506 -0.000) 10.920 9.972 ( 13.822 -3.417 -0.000) 14.239 10.080 ( 13.505 9.473 0.000) 16.496 10.519 ( 3.170 10.025 0.000) 10.514 10.879 ( 17.338 -18.596 -0.000) 25.425 11.060 ( -1.630 5.155 0.000) 5.407 11.360 ( 5.667 -4.938 -0.000) 7.516 11.783 ( 1.595 -28.359 -0.000) 28.404 12.220 ( -9.235 2.809 0.000) 9.653 12.515 ( -15.804 9.340 0.000) 18.357 12.960 ( 5.561 -2.844 -0.000) 6.246 13.263 ( 1.620 -4.598 -0.000) 4.875 14.112 ( -6.328 32.779 0.000) 33.385 14.785 ( -4.692 10.374 0.000) 11.385 15.034 ( -11.084 -7.682 -0.000) 13.486 15.314 ( 1.221 -6.936 -0.000) 7.043 15.424 ( -2.351 -0.844 -0.000) 2.498 15.742 ( -1.131 6.946 0.000) 7.038 15.843 ( 0.233 -8.575 -0.000) 8.579 16.172 ( 6.112 0.223 -0.000) 6.116 16.179 ( -9.572 21.106 0.000) 23.175 17.222 ( -5.809 -18.159 -0.000) 19.066 17.504 ( -9.489 -10.185 -0.000) 13.920 17.661 ( -4.572 3.214 0.000) 5.588 17.721 ( -7.076 -0.120 0.000) 7.077 18.122 ( -5.156 11.194 0.000) 12.325 18.645 ( 6.741 -4.028 -0.000) 7.853 18.830 ( 7.171 -5.175 -0.000) 8.843 ======================= Grid point 23 (19/84) ======================= q-point: (-0.45 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 10.654 13.191 -1.197) 16.999 1.116 ( -19.381 13.828 0.103) 23.808 1.514 ( 2.767 -3.702 -3.409) 5.743 1.529 ( 1.764 0.741 -12.421) 12.568 1.613 ( 2.990 -1.199 7.769) 8.411 1.759 ( 2.135 -1.479 3.424) 4.297 1.858 ( -9.857 -12.570 1.395) 16.035 1.945 ( 5.285 -14.788 -5.547) 16.655 2.558 ( 16.872 -25.152 -2.784) 30.414 2.746 ( -4.777 6.803 0.330) 8.319 2.836 ( 10.938 7.470 -1.605) 13.342 3.166 ( 0.968 -2.487 -0.115) 2.671 3.208 ( 8.579 -2.460 -0.875) 8.968 3.342 ( 44.298 -8.324 0.900) 45.082 3.684 ( 3.569 5.633 1.457) 6.826 3.809 ( -4.857 4.206 0.302) 6.432 3.908 ( 32.505 10.266 0.165) 34.089 4.717 ( -4.803 14.023 -2.870) 15.098 4.913 ( 9.899 -19.799 6.056) 22.949 5.690 ( -10.239 -1.531 -4.897) 11.453 6.134 ( -27.748 1.435 4.110) 28.087 6.571 ( -8.843 11.909 -1.767) 14.939 7.298 ( -13.848 -8.735 -7.304) 17.928 7.463 ( -2.376 4.501 -5.366) 7.395 7.846 ( -16.937 9.888 2.100) 19.724 8.072 ( 0.651 9.263 3.317) 9.861 8.486 ( 10.095 -11.156 1.834) 15.157 8.654 ( 12.117 -12.710 -4.721) 18.184 9.256 ( 13.149 2.724 -0.996) 13.465 9.364 ( -1.849 2.702 6.014) 6.847 9.543 ( 7.544 0.723 0.651) 7.606 9.672 ( 15.990 2.519 0.938) 16.214 9.956 ( 10.059 6.902 0.300) 12.203 10.218 ( 17.720 6.658 5.219) 19.636 10.434 ( 17.074 -13.141 -0.477) 21.550 10.667 ( 11.466 -7.080 -0.637) 13.491 10.923 ( -2.749 1.891 0.378) 3.357 11.072 ( 0.820 -5.537 -1.747) 5.863 11.460 ( 1.969 11.032 0.072) 11.206 11.738 ( 8.498 19.633 4.133) 21.789 12.065 ( -9.355 -0.747 -1.549) 9.511 12.113 ( -9.077 -3.567 3.610) 10.400 12.773 ( -0.516 -16.183 10.975) 19.560 13.297 ( 0.802 3.072 -4.833) 5.783 14.007 ( 8.000 -18.087 1.307) 19.821 14.559 ( -12.565 -8.331 0.897) 15.103 14.811 ( -20.195 0.113 -1.213) 20.231 15.362 ( -5.420 6.385 -3.989) 9.277 15.594 ( -1.660 7.513 -3.828) 8.594 15.729 ( -1.626 1.921 0.940) 2.687 15.933 ( -0.571 -3.218 -3.304) 4.647 16.055 ( -0.258 -9.538 1.015) 9.595 16.305 ( 8.953 2.879 0.578) 9.423 17.038 ( -12.727 8.086 -0.046) 15.079 17.391 ( -7.404 6.716 1.843) 10.165 17.464 ( -12.921 3.306 -4.489) 14.072 17.784 ( -11.192 -2.469 -1.705) 11.587 17.910 ( -12.766 -3.295 -2.661) 13.450 18.405 ( 11.951 -5.939 13.040) 18.659 18.928 ( 5.715 4.927 -5.640) 9.421 ======================= Grid point 24 (20/84) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -5.116 5.397 0.000) 7.436 0.878 ( 10.014 -16.635 -0.000) 19.417 1.029 ( 12.070 7.840 0.000) 14.393 1.692 ( 0.600 -2.800 -0.000) 2.864 1.724 ( 3.377 -1.305 -0.000) 3.620 1.805 ( -16.652 16.816 0.000) 23.666 2.111 ( -5.346 5.214 0.000) 7.467 2.149 ( -13.115 -13.382 -0.000) 18.738 2.630 ( 11.716 12.842 0.000) 17.383 2.808 ( 10.533 -9.394 -0.000) 14.113 3.224 ( 1.872 1.091 0.000) 2.166 3.300 ( 2.114 0.841 0.000) 2.275 3.494 ( 5.214 3.908 0.000) 6.516 3.545 ( 17.606 28.726 0.000) 33.693 3.706 ( 3.804 -2.131 -0.000) 4.360 4.129 ( 5.490 -22.954 -0.000) 23.601 4.462 ( 29.519 -5.625 -0.000) 30.050 4.623 ( 36.168 5.028 -0.000) 36.516 5.160 ( -18.100 -3.358 0.000) 18.408 5.439 ( -14.733 5.078 0.000) 15.583 6.028 ( 0.873 16.236 0.000) 16.259 6.103 ( -3.459 -16.056 -0.000) 16.425 7.114 ( -9.751 3.208 0.000) 10.265 7.295 ( -9.419 14.374 0.000) 17.185 7.296 ( -19.229 -5.794 -0.000) 20.083 8.005 ( -5.594 -16.541 -0.000) 17.461 8.861 ( 7.409 3.194 0.000) 8.068 8.955 ( 6.498 10.042 0.000) 11.961 9.521 ( 21.660 -4.650 -0.000) 22.154 9.564 ( 11.783 -0.144 -0.000) 11.784 9.694 ( 9.148 4.407 0.000) 10.155 9.899 ( 13.352 -5.745 -0.000) 14.535 10.033 ( 5.430 -0.957 -0.000) 5.514 10.327 ( 4.825 -18.731 -0.000) 19.342 10.822 ( 2.972 0.434 -0.000) 3.003 10.967 ( 4.757 1.679 0.000) 5.044 11.004 ( 8.813 11.865 0.000) 14.780 11.289 ( 8.989 -9.743 -0.000) 13.256 11.387 ( 18.465 12.310 0.000) 22.192 11.705 ( 8.057 -9.994 -0.000) 12.838 11.815 ( -10.883 1.482 0.000) 10.984 12.050 ( -7.112 -3.562 -0.000) 7.954 12.836 ( -8.367 -8.617 -0.000) 12.011 13.130 ( -13.598 7.800 0.000) 15.677 14.271 ( -15.406 7.820 0.000) 17.277 14.370 ( -19.576 -1.106 0.000) 19.607 14.782 ( -5.874 20.856 0.000) 21.667 14.905 ( -4.844 -13.693 -0.000) 14.524 15.373 ( -0.701 4.551 0.000) 4.605 15.591 ( -1.830 -6.978 -0.000) 7.214 16.090 ( 7.279 5.500 0.000) 9.124 16.345 ( 5.338 -5.396 -0.000) 7.591 16.350 ( 0.370 10.816 0.000) 10.823 16.662 ( -6.252 -7.427 -0.000) 9.709 16.954 ( -5.808 -2.730 -0.000) 6.418 17.367 ( -10.505 1.980 0.000) 10.690 17.399 ( -8.886 2.368 0.000) 9.196 17.799 ( -14.477 0.552 0.000) 14.487 18.735 ( 3.800 -8.475 -0.000) 9.288 19.038 ( 4.940 -0.421 -0.000) 4.958 ======================= Grid point 25 (21/84) ======================= q-point: (-0.45 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -20.066 0.000 0.352) 20.069 0.623 ( -21.142 0.000 -0.651) 21.152 1.567 ( 2.645 -0.000 -13.864) 14.114 1.588 ( 1.488 0.000 7.269) 7.419 1.753 ( 2.428 0.000 4.431) 5.052 1.798 ( -0.057 -0.000 -0.706) 0.708 1.983 ( 13.903 -0.000 -1.442) 13.977 2.197 ( 9.697 -0.000 0.451) 9.708 2.601 ( -7.960 0.000 2.054) 8.221 2.705 ( -7.334 -0.000 -2.853) 7.869 3.285 ( 22.058 -0.000 -2.006) 22.149 3.378 ( 3.448 0.000 1.200) 3.651 3.415 ( 7.569 -0.000 -1.204) 7.664 3.637 ( 4.375 -0.000 -2.758) 5.172 3.915 ( 1.744 0.000 1.330) 2.193 4.319 ( -18.583 0.000 -0.942) 18.607 4.997 ( 21.439 0.000 5.469) 22.125 5.070 ( -8.109 0.000 2.986) 8.641 5.135 ( 8.619 -0.000 -1.268) 8.712 5.199 ( -14.408 -0.000 -6.432) 15.778 5.511 ( 27.896 0.000 5.578) 28.449 6.429 ( 5.202 -0.000 -0.292) 5.210 6.451 ( -20.779 -0.000 -6.538) 21.783 6.995 ( -21.050 0.000 1.778) 21.125 7.678 ( 4.524 -0.000 -6.534) 7.948 8.034 ( -12.642 0.000 6.686) 14.301 8.655 ( 8.154 0.000 2.909) 8.658 8.834 ( 0.805 -0.000 -3.598) 3.687 9.660 ( 8.963 0.000 1.684) 9.120 9.750 ( 2.125 -0.000 -0.074) 2.126 10.138 ( 20.518 -0.000 -3.128) 20.755 10.380 ( 11.664 0.000 3.514) 12.181 10.552 ( 8.733 -0.000 -1.653) 8.888 10.750 ( -1.876 0.000 6.510) 6.775 10.752 ( 2.698 0.000 1.867) 3.281 10.817 ( 15.861 -0.000 0.669) 15.875 10.999 ( -1.732 -0.000 -1.664) 2.402 11.402 ( -10.314 0.000 -0.168) 10.315 11.564 ( 23.486 -0.000 0.015) 23.486 11.727 ( -1.489 -0.000 -3.253) 3.578 11.800 ( -8.940 0.000 0.175) 8.942 11.912 ( 6.035 0.000 1.621) 6.249 12.896 ( 11.274 0.000 4.808) 12.257 13.068 ( -9.887 -0.000 -4.386) 10.816 13.472 ( -30.985 0.000 0.045) 30.985 13.762 ( -27.336 0.000 -1.196) 27.363 14.406 ( 17.093 -0.000 0.437) 17.099 15.034 ( -13.147 0.000 -1.959) 13.293 15.632 ( 2.628 -0.000 -5.993) 6.544 15.816 ( -3.316 0.000 2.365) 4.073 16.096 ( 9.418 -0.000 0.143) 9.419 16.170 ( 13.588 -0.000 1.692) 13.693 16.498 ( -10.300 0.000 1.744) 10.446 16.649 ( -2.370 -0.000 -3.350) 4.103 17.042 ( -4.896 -0.000 -5.147) 7.104 17.176 ( -14.273 0.000 -2.265) 14.452 17.226 ( -4.419 0.000 3.229) 5.473 17.357 ( -9.218 0.000 1.548) 9.348 18.864 ( 9.891 0.000 12.494) 15.935 19.080 ( -1.075 -0.000 -6.509) 6.597 ======================= Grid point 26 (22/84) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -3.192 -19.134 -0.000) 19.399 1.033 ( 2.416 -21.436 -0.000) 21.572 1.379 ( -2.719 -1.135 -0.000) 2.946 1.513 ( 4.574 18.165 0.000) 18.732 1.544 ( -3.951 20.646 0.000) 21.020 1.633 ( 1.633 1.537 0.000) 2.242 1.891 ( 4.520 -2.395 -0.000) 5.116 1.946 ( -5.756 1.970 0.000) 6.084 2.909 ( 2.563 -6.097 -0.000) 6.614 3.033 ( -2.219 -9.510 -0.000) 9.766 3.277 ( -1.800 2.973 0.000) 3.475 3.315 ( 1.174 5.581 0.000) 5.703 3.754 ( -2.831 -1.879 -0.000) 3.398 3.841 ( 2.476 -0.989 -0.000) 2.667 4.059 ( 6.718 -2.477 -0.000) 7.161 4.125 ( -8.747 -4.601 -0.000) 9.884 4.537 ( 2.471 4.113 0.000) 4.798 4.890 ( -2.419 3.585 0.000) 4.324 5.315 ( 0.819 -2.359 -0.000) 2.497 5.490 ( -0.041 -0.965 -0.000) 0.966 5.932 ( 3.990 -0.627 -0.000) 4.039 6.188 ( -0.384 2.098 0.000) 2.132 6.845 ( 5.793 -13.232 -0.000) 14.444 7.053 ( -10.545 -19.127 -0.000) 21.841 7.163 ( -10.485 16.778 0.000) 19.785 7.509 ( 12.785 19.959 0.000) 23.703 8.958 ( 1.859 -5.706 -0.000) 6.001 9.144 ( -2.610 -5.245 -0.000) 5.858 9.807 ( 0.445 -3.454 -0.000) 3.482 9.863 ( -2.224 -5.650 -0.000) 6.072 10.114 ( -3.639 8.210 0.000) 8.981 10.173 ( 7.478 13.455 0.000) 15.393 10.344 ( 0.504 2.145 0.000) 2.203 10.469 ( 0.075 2.359 0.000) 2.360 10.840 ( 0.909 -2.314 -0.000) 2.486 11.135 ( 0.315 -4.480 -0.000) 4.491 11.136 ( -2.163 2.055 0.000) 2.983 11.351 ( 0.688 2.110 0.000) 2.220 11.760 ( -5.478 -3.360 -0.000) 6.427 11.871 ( 9.891 -8.185 -0.000) 12.838 11.979 ( -0.076 -1.427 -0.000) 1.429 12.066 ( -2.667 0.904 0.000) 2.816 12.546 ( 0.910 6.066 0.000) 6.134 12.707 ( -3.161 5.861 0.000) 6.659 13.596 ( 3.041 -5.782 -0.000) 6.533 13.664 ( -2.437 -5.112 -0.000) 5.663 14.815 ( 5.176 -2.420 -0.000) 5.714 14.916 ( -6.592 -3.214 -0.000) 7.334 15.398 ( -3.388 4.684 0.000) 5.781 15.484 ( 2.636 6.564 0.000) 7.073 16.293 ( -3.651 -3.336 -0.000) 4.946 16.391 ( 5.425 3.893 0.000) 6.678 16.398 ( 5.015 -3.157 -0.000) 5.926 16.622 ( -8.773 2.357 0.000) 9.084 16.902 ( 0.344 -2.619 -0.000) 2.641 17.107 ( -2.567 0.746 0.000) 2.673 17.192 ( 0.542 0.356 0.000) 0.649 17.379 ( 2.623 -3.438 -0.000) 4.324 18.755 ( 2.896 0.448 -0.000) 2.931 19.150 ( -0.509 2.485 0.000) 2.537 ======================= Grid point 27 (23/84) ======================= q-point: ( 0.55 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 4.528 5.165 0.537) 6.890 0.968 ( 19.677 19.416 0.008) 27.644 1.529 ( -6.362 -6.343 5.870) 10.732 1.594 ( -1.167 0.419 -2.216) 2.540 1.698 ( -8.628 -10.890 0.838) 13.919 1.759 ( -2.553 -0.768 -4.358) 5.108 1.806 ( -1.123 -1.769 3.092) 3.735 2.213 ( 9.787 -12.375 0.101) 15.778 2.583 ( -8.830 11.395 -0.597) 14.428 2.905 ( 5.369 10.224 0.883) 11.582 3.318 ( -5.055 -3.766 0.759) 6.349 3.371 ( -4.098 0.283 0.249) 4.116 3.489 ( -19.304 12.644 0.274) 23.078 3.647 ( -4.776 1.157 2.483) 5.506 3.874 ( -4.407 -3.652 -1.096) 5.827 4.314 ( 14.291 -1.640 1.254) 14.439 4.901 ( 2.931 -4.829 -6.254) 8.427 5.038 ( 2.781 -5.925 5.561) 8.589 5.135 ( -11.375 1.571 -3.628) 12.042 5.198 ( -7.443 -0.696 3.745) 8.361 5.687 ( -18.844 14.620 -6.305) 24.670 6.239 ( 6.374 -6.818 3.453) 9.951 6.764 ( 10.751 18.300 3.956) 21.590 6.960 ( 18.810 -2.617 -1.451) 19.047 7.501 ( -4.769 -15.227 6.212) 17.123 7.884 ( 12.274 -12.986 -6.894) 19.152 8.783 ( -6.820 10.443 -2.868) 12.798 8.953 ( -0.330 9.260 3.658) 9.962 9.686 ( -8.454 2.577 -1.264) 8.928 9.759 ( -2.255 1.486 0.435) 2.736 10.091 ( -19.159 -4.353 2.387) 19.792 10.289 ( -12.882 -7.065 -2.595) 14.919 10.352 ( -11.191 -12.275 0.451) 16.617 10.579 ( 3.424 -14.900 -5.118) 16.122 10.838 ( -3.123 6.458 -2.936) 7.751 10.984 ( 0.592 0.071 3.116) 3.173 11.024 ( -13.351 12.955 1.322) 18.650 11.411 ( 5.731 -1.228 -2.503) 6.373 11.620 ( -14.676 3.910 0.124) 15.188 11.728 ( -3.927 1.825 3.168) 5.366 11.815 ( 1.955 -1.055 -0.449) 2.266 11.942 ( -0.271 4.414 -1.332) 4.618 12.770 ( -4.382 -8.856 -4.983) 11.066 12.980 ( 13.611 -7.325 5.554) 16.424 13.637 ( 24.155 12.340 -0.793) 27.136 13.835 ( 24.996 5.909 0.829) 25.699 14.502 ( -14.032 8.886 -0.922) 16.635 15.030 ( 10.898 -1.196 2.535) 11.253 15.527 ( -2.536 -7.858 3.965) 9.160 15.710 ( 3.485 -9.208 -1.687) 9.989 16.148 ( -7.921 4.189 0.480) 8.974 16.218 ( -9.567 4.776 -1.778) 10.840 16.490 ( 5.722 -2.130 -2.069) 6.446 16.630 ( 2.794 -2.110 3.599) 5.021 17.064 ( 3.984 1.934 5.673) 7.197 17.174 ( 2.863 -2.748 -4.163) 5.751 17.213 ( 12.896 3.316 3.555) 13.782 17.394 ( 10.847 1.792 -3.133) 11.432 18.861 ( -8.626 -0.016 -11.046) 14.015 19.043 ( 0.552 -3.501 6.386) 7.304 ======================= Grid point 28 (24/84) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 20.129 11.840 0.000) 23.353 0.893 ( -14.459 -5.227 -0.000) 15.375 1.213 ( -6.136 10.114 0.000) 11.830 1.489 ( 10.719 -8.778 -0.000) 13.855 1.710 ( -5.362 0.084 0.000) 5.363 1.795 ( 1.545 4.602 0.000) 4.854 2.005 ( 3.988 -5.310 -0.000) 6.641 2.174 ( -11.755 -14.044 -0.000) 18.314 2.552 ( 5.107 8.150 0.000) 9.618 2.915 ( -2.077 -0.367 0.000) 2.109 2.956 ( -22.711 -23.127 -0.000) 32.414 3.201 ( -3.523 0.460 0.000) 3.553 3.311 ( -5.658 -0.918 0.000) 5.732 3.436 ( -4.089 -1.849 -0.000) 4.488 3.803 ( -5.344 5.858 0.000) 7.929 4.463 ( -2.006 10.064 0.000) 10.262 4.552 ( -40.810 -1.949 0.000) 40.857 4.554 ( -18.153 3.045 0.000) 18.406 5.256 ( 15.062 5.763 0.000) 16.127 5.288 ( -8.018 -9.369 -0.000) 12.331 5.770 ( 17.376 -7.813 -0.000) 19.052 6.337 ( 10.375 7.979 0.000) 13.088 6.877 ( 11.429 -15.701 -0.000) 19.420 7.304 ( -0.115 9.768 0.000) 9.769 7.438 ( 23.723 6.562 0.000) 24.614 8.292 ( 1.007 12.169 0.000) 12.211 8.684 ( -9.106 -11.743 -0.000) 14.860 8.735 ( -6.180 -11.190 -0.000) 12.783 9.573 ( -5.631 0.632 0.000) 5.667 9.598 ( -22.188 2.585 0.000) 22.338 9.676 ( -5.408 1.644 0.000) 5.652 10.041 ( -17.208 7.168 0.000) 18.642 10.152 ( -8.844 9.897 0.000) 13.273 10.682 ( -11.220 14.605 0.000) 18.417 10.722 ( -13.953 -12.652 -0.000) 18.835 10.861 ( -2.927 1.371 0.000) 3.232 10.889 ( 0.627 -5.244 -0.000) 5.281 11.153 ( -19.000 -10.541 -0.000) 21.728 11.463 ( -1.127 7.663 0.000) 7.746 11.794 ( 10.212 -0.661 -0.000) 10.233 11.890 ( 2.737 8.120 0.000) 8.569 12.070 ( 6.478 -2.732 -0.000) 7.031 12.977 ( 6.772 5.101 0.000) 8.478 13.029 ( 8.242 -1.305 -0.000) 8.344 14.112 ( 12.053 -6.610 -0.000) 13.747 14.334 ( 24.688 -3.331 -0.000) 24.912 14.355 ( 2.050 -19.662 -0.000) 19.769 15.113 ( 6.788 6.907 0.000) 9.685 15.341 ( -0.798 0.585 0.000) 0.989 15.748 ( -1.306 6.781 0.000) 6.906 15.972 ( -8.784 -5.094 -0.000) 10.154 16.126 ( -3.471 -8.038 -0.000) 8.755 16.459 ( -6.722 4.668 0.000) 8.184 16.816 ( 12.904 4.543 0.000) 13.680 17.029 ( 10.192 4.423 0.000) 11.111 17.313 ( 11.998 -3.361 -0.000) 12.460 17.391 ( 7.041 2.952 0.000) 7.635 17.725 ( 12.490 -6.461 -0.000) 14.062 18.869 ( -2.347 4.662 0.000) 5.220 19.096 ( -5.353 4.231 0.000) 6.824 ======================= Grid point 29 (25/84) ======================= q-point: ( 0.55 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 2.955 -3.060 0.416) 4.274 0.866 ( 16.513 -9.414 -0.081) 19.008 1.520 ( -1.512 0.158 8.667) 8.799 1.533 ( -1.151 -0.820 -3.485) 3.761 1.661 ( -2.976 3.304 1.635) 4.737 1.726 ( -1.856 -2.936 -4.342) 5.560 2.152 ( 9.653 13.931 -0.034) 16.949 2.244 ( -6.980 11.008 0.790) 13.059 2.523 ( 6.141 -7.639 -0.114) 9.802 2.630 ( -12.346 -11.932 0.737) 17.185 3.191 ( -19.530 23.401 2.244) 30.563 3.212 ( -2.527 2.030 0.468) 3.275 3.240 ( -9.505 4.032 0.354) 10.331 3.568 ( -12.657 8.341 1.846) 15.270 3.600 ( -16.457 -6.325 -1.272) 17.676 3.648 ( -20.044 -10.766 -1.789) 22.823 3.797 ( -14.653 10.713 -4.824) 18.782 4.284 ( -5.035 -27.510 4.847) 28.383 5.368 ( -1.832 22.448 -6.361) 23.404 5.676 ( 12.961 -5.873 6.294) 15.560 6.114 ( 18.461 0.875 -3.581) 18.825 6.263 ( 3.431 -14.795 2.631) 15.413 7.459 ( 12.438 5.598 2.330) 13.838 7.547 ( 6.928 12.135 6.096) 15.246 7.636 ( 12.870 -8.584 -1.035) 15.505 7.845 ( 5.012 -13.442 -5.400) 15.329 8.704 ( -10.953 9.932 -2.202) 14.948 8.822 ( -10.777 0.833 4.177) 11.589 9.218 ( -9.820 0.867 2.055) 10.070 9.288 ( -3.524 -4.376 -4.353) 7.108 9.564 ( -10.461 2.382 0.794) 10.758 9.614 ( -13.201 -2.727 -1.135) 13.528 9.905 ( -8.133 2.559 0.338) 8.533 10.044 ( -12.359 -9.511 -3.151) 15.910 10.670 ( -15.559 10.097 0.847) 18.567 10.836 ( -6.453 -5.014 -0.550) 8.191 10.882 ( -6.205 11.965 0.404) 13.485 11.171 ( -2.197 -11.195 -0.217) 11.410 11.224 ( -3.434 3.862 1.666) 5.430 11.413 ( -10.823 -12.098 -2.454) 16.417 12.110 ( 11.096 2.675 1.992) 11.587 12.146 ( 10.924 -0.368 -2.983) 11.330 13.036 ( 2.428 10.379 -8.789) 13.815 13.203 ( 0.840 -6.378 6.630) 9.238 14.406 ( 2.023 18.520 -2.425) 18.788 14.678 ( 11.056 -6.013 1.726) 12.703 14.859 ( 11.814 12.485 -2.522) 17.373 15.158 ( 6.893 -13.670 3.930) 15.806 15.520 ( 2.179 0.998 2.445) 3.424 15.617 ( 2.810 -7.194 -1.134) 7.806 16.035 ( -2.830 7.004 1.889) 7.786 16.171 ( -3.902 -5.025 -1.480) 6.531 16.384 ( 2.054 16.253 -1.382) 16.440 16.752 ( 7.712 -18.271 2.195) 19.953 17.345 ( 7.865 0.940 -3.730) 8.755 17.392 ( 9.886 -3.344 3.868) 11.130 17.845 ( 11.698 3.547 2.316) 12.442 17.911 ( 12.330 -2.442 -1.229) 12.630 18.583 ( -8.691 10.538 -8.460) 16.067 18.786 ( -6.432 -8.990 6.393) 12.770 ======================= Grid point 30 (26/84) ======================= q-point: ( 0.05 -0.05 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( -13.135 0.000 0.000) 13.135 0.642 ( -30.254 0.000 0.000) 30.254 0.924 ( -38.127 0.000 0.000) 38.127 1.526 ( -2.888 0.000 0.000) 2.888 1.732 ( -1.864 0.000 0.000) 1.864 1.857 ( 19.088 -0.000 -0.000) 19.088 1.968 ( 1.209 -0.000 -0.000) 1.209 1.999 ( 1.507 -0.000 -0.000) 1.507 2.030 ( 9.540 -0.000 -0.000) 9.540 2.661 ( -9.435 0.000 0.000) 9.435 2.663 ( -25.397 0.000 0.000) 25.397 2.789 ( -19.378 0.000 0.000) 19.378 3.059 ( -1.387 0.000 0.000) 1.387 3.189 ( 1.711 -0.000 -0.000) 1.711 3.363 ( -0.177 0.000 0.000) 0.177 3.532 ( -18.225 0.000 0.000) 18.225 3.764 ( -0.996 0.000 0.000) 0.996 4.648 ( -6.333 0.000 0.000) 6.333 4.895 ( 3.857 -0.000 -0.000) 3.857 5.619 ( 1.084 -0.000 -0.000) 1.084 6.808 ( 23.709 -0.000 -0.000) 23.709 6.946 ( 14.092 -0.000 -0.000) 14.092 7.225 ( 4.450 -0.000 -0.000) 4.450 7.377 ( 3.467 -0.000 -0.000) 3.467 7.977 ( -14.266 0.000 0.000) 14.266 7.999 ( -14.583 0.000 0.000) 14.583 8.153 ( -10.145 0.000 0.000) 10.145 8.555 ( 24.728 -0.000 -0.000) 24.728 9.142 ( 2.501 -0.000 -0.000) 2.501 9.373 ( -15.223 0.000 0.000) 15.223 9.468 ( -5.195 0.000 0.000) 5.195 9.753 ( -20.375 0.000 0.000) 20.375 9.903 ( 10.347 -0.000 -0.000) 10.347 9.965 ( -8.207 0.000 0.000) 8.207 10.003 ( -18.667 0.000 0.000) 18.667 10.412 ( -3.643 0.000 0.000) 3.643 11.003 ( 1.056 -0.000 -0.000) 1.056 11.143 ( 9.840 -0.000 -0.000) 9.840 11.517 ( -7.035 0.000 0.000) 7.035 12.188 ( 8.749 -0.000 -0.000) 8.749 12.243 ( 3.853 -0.000 -0.000) 3.853 12.382 ( 4.813 -0.000 -0.000) 4.813 12.989 ( -5.576 0.000 0.000) 5.576 13.153 ( 2.502 -0.000 -0.000) 2.502 13.658 ( -5.825 0.000 0.000) 5.825 14.671 ( 5.582 -0.000 -0.000) 5.582 15.103 ( 12.616 -0.000 -0.000) 12.616 15.372 ( -1.024 0.000 0.000) 1.024 15.479 ( 6.078 -0.000 -0.000) 6.078 15.641 ( -1.943 0.000 0.000) 1.943 15.851 ( 5.463 -0.000 -0.000) 5.463 15.998 ( -2.210 0.000 0.000) 2.210 16.172 ( -7.573 0.000 0.000) 7.573 17.417 ( 11.446 -0.000 -0.000) 11.446 17.647 ( 5.490 -0.000 -0.000) 5.490 17.677 ( 0.322 -0.000 -0.000) 0.322 17.686 ( 13.113 -0.000 -0.000) 13.113 17.952 ( 5.035 -0.000 -0.000) 5.035 18.685 ( -7.585 0.000 0.000) 7.585 18.956 ( -3.511 0.000 0.000) 3.511 ======================= Grid point 31 (27/84) ======================= q-point: ( 0.32 -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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 5.448 26.306) 26.864 1.154 ( 0.000 19.447 1.787) 19.529 1.447 ( 0.000 9.594 0.145) 9.595 1.569 ( 0.000 0.289 3.158) 3.172 1.669 ( -0.000 -3.666 -4.197) 5.572 1.680 ( -0.000 -2.539 -0.403) 2.571 1.774 ( -0.000 -11.421 -1.917) 11.581 2.067 ( 0.000 16.783 -5.195) 17.569 2.222 ( 0.000 5.079 -4.767) 6.965 2.696 ( 0.000 1.538 3.255) 3.600 2.719 ( -0.000 -22.538 -2.502) 22.677 2.780 ( 0.000 6.126 -1.750) 6.371 3.041 ( -0.000 -0.430 1.440) 1.503 3.111 ( 0.000 2.997 -1.619) 3.407 3.279 ( 0.000 32.299 -3.743) 32.515 3.636 ( 0.000 2.961 1.269) 3.221 3.761 ( 0.000 2.893 9.911) 10.324 4.139 ( -0.000 -39.249 2.422) 39.324 5.395 ( 0.000 30.706 -4.196) 30.991 5.742 ( -0.000 -22.279 5.249) 22.888 6.356 ( 0.000 6.814 -0.484) 6.831 6.632 ( -0.000 -18.089 0.448) 18.095 7.453 ( 0.000 0.254 4.084) 4.092 7.725 ( -0.000 0.196 -7.128) 7.131 8.100 ( 0.000 6.287 5.949) 8.656 8.176 ( 0.000 14.697 1.888) 14.818 8.261 ( 0.000 7.780 0.005) 7.780 8.799 ( -0.000 -18.362 -7.267) 19.747 8.991 ( 0.000 1.730 -1.383) 2.215 9.009 ( -0.000 -8.948 1.346) 9.049 9.509 ( 0.000 10.434 1.149) 10.498 9.557 ( 0.000 0.731 -0.064) 0.733 9.626 ( -0.000 -4.922 -0.483) 4.945 9.815 ( -0.000 -9.997 -2.229) 10.243 10.095 ( 0.000 7.671 0.395) 7.681 10.252 ( -0.000 -6.805 -0.074) 6.805 10.779 ( 0.000 17.006 0.862) 17.028 11.203 ( 0.000 3.060 -0.691) 3.137 11.252 ( -0.000 -19.653 -0.896) 19.673 11.295 ( -0.000 -3.256 0.572) 3.306 12.415 ( 0.000 4.076 0.423) 4.098 12.609 ( -0.000 -5.175 -6.954) 8.669 12.982 ( -0.000 -11.618 6.700) 13.411 12.991 ( 0.000 9.412 -3.214) 9.946 14.613 ( 0.000 27.132 -9.407) 28.717 14.874 ( -0.000 -15.551 -0.145) 15.551 15.090 ( 0.000 8.188 1.169) 8.271 15.181 ( -0.000 -11.120 6.570) 12.916 15.487 ( 0.000 3.812 0.644) 3.866 15.626 ( -0.000 -7.456 -0.419) 7.468 15.972 ( 0.000 3.495 5.071) 6.159 16.144 ( 0.000 1.944 -1.031) 2.201 16.681 ( 0.000 21.366 -7.172) 22.538 16.876 ( -0.000 -22.651 3.278) 22.887 17.476 ( -0.000 -5.336 6.560) 8.457 17.698 ( -0.000 -5.190 -1.247) 5.337 17.909 ( 0.000 4.716 6.409) 7.957 18.337 ( 0.000 5.236 -4.744) 7.066 18.503 ( -0.000 -7.425 2.977) 7.999 18.559 ( 0.000 11.116 -15.183) 18.817 ======================= Grid point 32 (28/84) ======================= q-point: (-0.18 -0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 25.775 -0.000 -6.176) 26.505 0.784 ( 11.471 -0.000 -21.107) 24.023 1.020 ( 22.732 -0.000 -17.453) 28.659 1.487 ( 3.609 0.000 3.025) 4.709 1.754 ( -1.873 0.000 0.914) 2.084 1.832 ( -15.303 0.000 1.041) 15.338 1.879 ( 4.180 0.000 5.593) 6.982 1.916 ( 1.695 0.000 5.807) 6.050 2.071 ( -12.079 0.000 -1.202) 12.139 2.300 ( 45.050 0.000 8.888) 45.919 2.690 ( 10.599 -0.000 -2.359) 10.858 2.740 ( 12.118 -0.000 -0.707) 12.139 3.076 ( 1.025 -0.000 -1.524) 1.837 3.167 ( -2.105 0.000 1.550) 2.615 3.515 ( 18.757 -0.000 1.470) 18.814 3.758 ( 1.078 0.000 0.555) 1.213 4.038 ( -26.004 -0.000 -17.983) 31.616 4.600 ( 6.382 0.000 4.232) 7.658 4.923 ( -3.528 -0.000 -2.052) 4.081 5.692 ( -4.706 -0.000 -3.686) 5.978 6.780 ( -24.518 0.000 2.249) 24.620 7.021 ( -21.624 -0.000 -4.337) 22.055 7.278 ( -3.702 -0.000 -4.499) 5.826 7.424 ( -3.737 -0.000 -4.408) 5.779 7.981 ( 14.659 -0.000 1.619) 14.748 8.050 ( 12.182 -0.000 -4.539) 13.000 8.152 ( 10.913 -0.000 -0.160) 10.915 8.542 ( -24.626 0.000 1.174) 24.653 9.152 ( -2.580 -0.000 -0.794) 2.699 9.372 ( 15.180 -0.000 0.084) 15.180 9.459 ( 5.202 -0.000 0.764) 5.258 9.743 ( 8.243 0.000 3.293) 8.876 9.773 ( 1.424 0.000 5.591) 5.769 9.966 ( 10.355 -0.000 0.521) 10.368 9.980 ( 15.856 -0.000 1.499) 15.926 10.417 ( 3.658 -0.000 -0.413) 3.681 11.005 ( -0.750 -0.000 -0.191) 0.774 11.021 ( 8.207 0.000 8.129) 11.551 11.428 ( 11.850 0.000 3.146) 12.261 12.169 ( -6.454 0.000 1.811) 6.704 12.242 ( -4.197 0.000 0.426) 4.219 12.316 ( -4.224 0.000 5.501) 6.935 12.503 ( 19.415 0.000 16.101) 25.223 13.232 ( 1.159 -0.000 -1.288) 1.733 13.647 ( 5.289 -0.000 0.246) 5.294 14.660 ( -5.019 0.000 0.919) 5.103 15.123 ( -13.101 0.000 -1.557) 13.193 15.401 ( 1.109 -0.000 -2.589) 2.816 15.644 ( 1.831 -0.000 -0.231) 1.846 15.828 ( -17.409 -0.000 -13.817) 22.225 15.842 ( -5.406 0.000 0.797) 5.465 15.995 ( 2.113 -0.000 0.300) 2.134 16.168 ( 7.871 -0.000 0.920) 7.924 17.396 ( -10.623 0.000 2.784) 10.982 17.623 ( -2.952 -0.000 -2.025) 3.580 17.713 ( -12.693 0.000 -2.361) 12.911 17.813 ( -4.673 -0.000 -8.649) 9.831 17.930 ( -4.981 0.000 1.928) 5.341 18.469 ( 18.101 0.000 21.910) 28.420 18.734 ( 7.142 -0.000 -4.357) 8.366 ======================= Grid point 33 (29/84) ======================= q-point: ( 0.32 -0.08 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -3.763 3.638 -0.280) 5.241 0.866 ( -15.914 9.544 -0.080) 18.556 1.186 ( 5.659 6.932 15.021) 17.485 1.613 ( 1.299 -3.532 -0.110) 3.765 1.656 ( 2.791 1.188 1.264) 3.286 1.985 ( 2.946 -3.199 -13.605) 14.283 2.150 ( -10.879 -13.757 0.080) 17.539 2.279 ( 3.256 -4.838 -2.831) 6.482 2.519 ( -6.010 7.243 0.216) 9.414 2.639 ( 11.967 12.429 -0.160) 17.254 3.202 ( 1.849 -1.007 0.795) 2.250 3.238 ( 13.538 -14.165 -1.378) 19.642 3.253 ( 14.878 -12.829 -0.658) 19.656 3.528 ( 8.173 1.612 2.801) 8.789 3.601 ( 27.214 15.728 2.113) 31.503 3.610 ( 24.538 -14.638 -0.030) 28.573 3.702 ( 6.230 -0.948 3.409) 7.165 4.384 ( 5.706 25.359 -3.878) 26.281 5.244 ( 1.585 -22.041 4.629) 22.577 5.793 ( -12.093 4.596 -4.183) 13.596 6.044 ( -20.544 -1.513 2.618) 20.765 6.314 ( -1.448 14.134 -1.847) 14.328 7.506 ( -12.660 -4.052 -1.849) 13.421 7.591 ( -13.268 9.522 0.927) 16.358 7.701 ( -5.148 -6.043 -4.379) 9.066 7.765 ( -6.614 8.838 0.974) 11.082 8.657 ( 10.185 -8.735 1.896) 13.551 8.896 ( 11.038 1.487 -2.504) 11.415 9.208 ( 5.421 2.808 2.639) 6.651 9.270 ( 7.451 -4.009 -2.229) 8.750 9.575 ( 11.651 -3.170 -0.237) 12.077 9.580 ( 12.855 3.246 1.936) 13.399 9.912 ( 8.249 -4.318 -0.276) 9.315 9.979 ( 11.108 6.444 2.533) 13.089 10.688 ( 16.107 -10.197 -0.724) 19.078 10.827 ( 6.017 6.556 0.320) 8.904 10.890 ( 5.821 -13.351 -0.304) 14.568 11.165 ( 1.946 15.060 0.335) 15.189 11.258 ( 5.390 -7.675 -1.301) 9.469 11.366 ( 10.335 11.286 1.719) 15.400 12.079 ( -11.216 -0.821 2.166) 11.453 12.169 ( -10.697 -3.243 -2.342) 11.420 12.844 ( -2.597 -11.171 7.815) 13.878 13.326 ( 1.343 3.861 -4.171) 5.840 14.367 ( 0.480 -18.045 1.232) 18.094 14.719 ( -12.384 1.448 -2.051) 12.636 14.810 ( -13.296 -7.234 2.184) 15.293 15.244 ( -5.911 13.798 -3.691) 15.458 15.557 ( -1.337 0.252 -1.097) 1.747 15.589 ( -3.278 8.034 1.398) 8.788 16.022 ( 3.737 -2.973 1.983) 5.171 16.191 ( 4.487 1.971 -2.384) 5.450 16.350 ( -1.544 -14.332 1.662) 14.510 16.835 ( -9.451 16.693 -5.481) 19.950 17.187 ( -8.469 2.461 8.621) 12.333 17.495 ( -7.339 1.040 -3.627) 8.252 17.737 ( -11.112 1.092 4.978) 12.225 18.045 ( -15.364 0.226 -6.163) 16.555 18.452 ( 6.648 -12.322 3.882) 14.529 18.927 ( 5.578 6.761 -5.967) 10.603 ======================= Grid point 34 (30/84) ======================= q-point: (-0.18 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -19.958 -11.710 -0.145) 23.140 1.095 ( 8.899 1.050 -13.910) 16.547 1.233 ( 5.812 -7.281 -4.171) 10.207 1.492 ( -10.240 8.009 -0.254) 13.003 1.675 ( 4.308 0.344 3.112) 5.326 1.777 ( -0.443 -3.520 1.794) 3.976 1.917 ( -2.259 3.428 6.999) 8.114 2.183 ( 11.954 14.341 -0.659) 18.681 2.557 ( -5.940 -9.123 -0.378) 10.893 2.931 ( 2.379 3.168 -1.193) 4.137 2.972 ( 21.830 21.363 -1.551) 30.583 3.206 ( 4.221 -1.251 -0.474) 4.428 3.315 ( 5.274 0.785 -0.456) 5.351 3.507 ( 1.770 1.070 -5.470) 5.848 3.793 ( 5.221 -5.773 0.885) 7.834 4.472 ( 7.980 -9.561 -0.346) 12.458 4.499 ( 38.297 1.197 4.222) 38.548 4.585 ( 15.627 -2.826 -2.779) 16.122 5.240 ( 8.026 9.168 4.228) 12.898 5.304 ( -15.295 -5.327 -4.299) 16.757 5.727 ( -17.714 7.783 3.822) 19.723 6.353 ( -9.860 -7.125 -1.368) 12.242 6.915 ( -12.164 15.310 -3.511) 19.867 7.341 ( -0.555 -10.225 -3.267) 10.749 7.428 ( -22.794 -6.636 0.837) 23.755 8.208 ( -2.379 -11.855 6.298) 13.633 8.688 ( 7.365 11.942 1.116) 14.075 8.777 ( 7.995 9.998 -4.203) 13.474 9.534 ( 7.712 0.115 3.064) 8.299 9.613 ( 22.548 -2.838 -1.138) 22.754 9.679 ( 5.276 -0.681 -0.162) 5.322 10.029 ( 16.725 -6.851 1.072) 18.106 10.151 ( 9.058 -10.204 0.137) 13.645 10.636 ( 10.672 -13.568 4.145) 17.753 10.727 ( 14.079 12.894 -0.359) 19.094 10.860 ( 0.072 2.502 0.534) 2.559 10.899 ( 3.431 0.957 -1.188) 3.755 11.164 ( 18.143 10.690 -1.004) 21.081 11.459 ( 0.583 -8.050 0.266) 8.075 11.808 ( -8.874 -0.009 -1.161) 8.950 11.891 ( -3.520 -7.748 -0.054) 8.510 12.038 ( -5.163 2.570 2.720) 6.377 12.918 ( -4.989 2.742 6.534) 8.666 13.079 ( -8.655 -5.105 -5.547) 11.478 14.114 ( -12.185 6.622 -0.191) 13.870 14.318 ( -5.749 14.311 2.016) 15.554 14.345 ( -20.099 7.350 -0.040) 21.401 15.146 ( -7.427 -6.500 -2.801) 10.259 15.409 ( -0.913 -2.743 -5.451) 6.170 15.743 ( 1.243 -6.676 0.475) 6.807 15.980 ( 8.031 5.286 -0.720) 9.642 16.111 ( 3.468 7.949 1.174) 8.752 16.461 ( 6.758 -4.615 -0.194) 8.186 16.796 ( -12.608 -4.808 1.227) 13.549 17.094 ( -10.722 -2.680 -5.183) 12.207 17.310 ( -7.638 -1.138 1.076) 7.797 17.420 ( -12.005 0.361 -3.304) 12.457 17.700 ( -12.509 5.596 2.266) 13.890 18.912 ( 2.687 -4.626 -3.583) 6.439 18.949 ( 8.255 -1.856 12.060) 14.732 ======================= Grid point 35 (31/84) ======================= q-point: (-0.68 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -4.494 -5.409 -0.404) 7.044 0.970 ( -19.929 -19.416 -0.134) 27.824 1.450 ( 1.332 0.696 4.931) 5.155 1.623 ( 13.070 18.019 -0.676) 22.270 1.659 ( 2.942 0.987 3.599) 4.752 1.753 ( 2.089 -0.095 -1.591) 2.627 1.976 ( -2.048 1.933 -10.039) 10.426 2.202 ( -9.849 10.795 1.225) 14.664 2.562 ( 7.939 -10.468 1.245) 13.197 2.918 ( -5.248 -9.387 -0.290) 10.758 3.317 ( 3.857 3.167 0.576) 5.023 3.387 ( 3.311 1.483 -0.883) 3.734 3.488 ( 19.310 -12.673 0.257) 23.098 3.685 ( 4.924 -0.921 -1.043) 5.117 3.856 ( 4.603 3.254 0.589) 5.668 4.333 ( -14.843 1.175 -0.509) 14.898 4.781 ( -3.241 5.416 4.415) 7.702 5.052 ( 11.793 -2.928 2.446) 12.395 5.154 ( 4.359 3.907 -3.543) 6.842 5.279 ( -0.005 3.241 -3.239) 4.582 5.567 ( 19.209 -13.843 4.292) 24.064 6.300 ( -3.688 6.242 -2.042) 7.533 6.854 ( -14.070 -17.771 -3.903) 23.000 6.932 ( -18.485 1.248 1.105) 18.560 7.631 ( 5.807 15.964 -5.302) 17.796 7.769 ( -13.033 13.275 3.712) 18.970 8.718 ( 6.271 -10.656 2.867) 12.693 9.013 ( 0.136 -9.322 -1.837) 9.502 9.664 ( 9.392 -3.116 0.759) 9.925 9.767 ( 2.652 -2.082 -0.251) 3.380 10.139 ( 20.542 5.878 -1.920) 21.452 10.241 ( 12.179 6.215 1.755) 13.785 10.361 ( 12.648 12.377 -0.344) 17.700 10.474 ( -0.756 12.084 4.112) 12.787 10.772 ( 1.431 -4.910 2.733) 5.799 11.036 ( 1.986 -5.629 -1.378) 6.126 11.052 ( 12.409 -10.027 -1.394) 16.014 11.369 ( -7.504 3.616 1.318) 8.434 11.624 ( 14.735 -4.558 -0.156) 15.425 11.793 ( 2.143 -1.421 -2.466) 3.563 11.807 ( -0.899 1.892 0.173) 2.102 11.917 ( -0.012 -4.890 0.927) 4.977 12.667 ( 9.482 8.721 4.050) 13.504 13.089 ( -16.269 6.729 -4.048) 18.066 13.622 ( -25.099 -11.835 0.527) 27.755 13.850 ( -24.266 -5.362 -0.543) 24.857 14.488 ( 13.985 -8.121 0.433) 16.178 15.081 ( -12.335 0.246 -1.933) 12.488 15.597 ( 1.568 10.389 -2.401) 10.778 15.677 ( -4.710 8.443 1.279) 9.752 16.151 ( 10.080 -3.834 0.291) 10.788 16.196 ( 6.806 -5.345 0.244) 8.658 16.451 ( -5.547 2.143 1.432) 6.116 16.730 ( -2.198 1.533 -5.675) 6.276 17.047 ( -5.895 3.388 6.712) 9.554 17.174 ( -3.227 -2.180 -3.946) 5.544 17.289 ( -14.647 -2.604 -2.352) 15.062 17.332 ( -8.754 -1.042 2.039) 9.048 18.657 ( 10.755 -2.383 7.155) 13.136 19.166 ( 0.805 3.628 -4.516) 5.848 ======================= Grid point 36 (32/84) ======================= q-point: (-0.18 -0.08 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 3.756 19.315 -0.297) 19.679 1.025 ( -3.270 20.716 0.683) 20.984 1.439 ( 1.889 -0.769 -4.567) 5.002 1.509 ( -1.222 -17.266 0.310) 17.312 1.554 ( 0.140 -18.371 -1.620) 18.443 1.683 ( -0.510 -1.460 -4.242) 4.515 1.824 ( -1.396 0.452 6.111) 6.285 1.896 ( 2.253 -0.897 4.027) 4.701 2.940 ( -2.286 6.669 -2.454) 7.464 3.024 ( 2.115 9.109 0.859) 9.390 3.285 ( 1.591 -3.361 -0.653) 3.775 3.312 ( -1.139 -5.232 0.312) 5.364 3.764 ( 2.677 1.666 -0.974) 3.300 3.826 ( -2.435 1.032 1.301) 2.947 4.072 ( -7.060 2.749 -1.099) 7.656 4.118 ( 8.467 4.269 0.638) 9.504 4.589 ( -2.421 -3.965 -4.585) 6.527 4.838 ( 2.404 -3.601 4.606) 6.321 5.340 ( -0.765 2.000 -2.173) 3.051 5.463 ( 0.222 1.037 2.374) 2.600 5.973 ( -3.530 0.469 -3.617) 5.076 6.155 ( 0.964 -1.514 3.014) 3.508 6.870 ( -6.359 14.167 -2.256) 15.692 7.016 ( 9.776 18.486 3.177) 21.151 7.201 ( 10.707 -17.419 -3.480) 20.741 7.440 ( -12.322 -19.735 5.674) 23.947 8.998 ( -2.109 5.563 -3.250) 6.779 9.126 ( 2.578 5.275 1.727) 6.120 9.819 ( -0.716 3.960 -0.934) 4.131 9.857 ( 2.011 5.503 0.540) 5.884 10.123 ( 4.156 -9.164 -0.760) 10.091 10.164 ( -6.871 -12.819 0.774) 14.565 10.355 ( -0.390 -2.220 -1.037) 2.481 10.437 ( -0.055 -2.226 2.377) 3.257 10.901 ( -0.659 2.540 -4.930) 5.585 11.103 ( -0.233 4.153 2.895) 5.068 11.170 ( 1.906 -1.926 -3.004) 4.046 11.323 ( -0.850 -1.982 2.531) 3.325 11.773 ( 5.934 3.926 -1.166) 7.210 11.851 ( -9.062 7.368 1.733) 11.807 11.988 ( -0.229 1.083 -0.869) 1.407 12.050 ( 2.180 -0.580 1.426) 2.669 12.567 ( -1.084 -6.046 -1.943) 6.443 12.681 ( 2.686 -5.900 2.255) 6.863 13.609 ( -2.960 5.716 -1.063) 6.524 13.657 ( 2.540 5.245 0.712) 5.871 14.827 ( -5.377 2.523 -1.122) 6.045 14.898 ( 6.390 3.095 1.506) 7.258 15.413 ( 3.194 -5.021 -1.239) 6.078 15.473 ( -2.684 -6.332 1.002) 6.950 16.306 ( 3.734 3.384 -1.211) 5.183 16.379 ( -4.454 3.209 1.527) 5.698 16.413 ( -5.703 -3.682 -1.950) 7.063 16.561 ( 7.061 -2.608 4.288) 8.663 16.996 ( 0.655 3.447 -7.046) 7.871 17.123 ( 2.949 -0.605 -1.367) 3.306 17.181 ( -0.668 -0.524 0.881) 1.224 17.327 ( -2.830 2.609 4.690) 6.067 18.813 ( -2.628 -0.700 -5.100) 5.780 19.092 ( 0.944 -2.138 5.149) 5.655 ======================= Grid point 37 (33/84) ======================= q-point: ( 0.32 -0.08 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 20.205 -0.000 -0.272) 20.207 0.611 ( 20.962 -0.000 0.438) 20.967 1.270 ( -9.120 0.000 12.000) 15.072 1.741 ( -2.950 -0.000 -6.447) 7.090 1.801 ( 3.020 -0.000 -0.454) 3.054 1.838 ( -1.621 -0.000 -3.148) 3.541 1.948 ( -12.649 0.000 1.911) 12.792 2.204 ( -11.921 0.000 -0.185) 11.923 2.640 ( 8.989 -0.000 -1.441) 9.104 2.645 ( 6.624 0.000 2.491) 7.077 3.245 ( -21.731 0.000 1.559) 21.787 3.385 ( -9.401 0.000 1.308) 9.492 3.398 ( -4.266 0.000 -0.700) 4.323 3.568 ( -6.083 0.000 3.123) 6.838 3.943 ( -1.929 -0.000 -1.116) 2.229 4.292 ( 17.214 -0.000 1.358) 17.268 5.036 ( -14.715 0.000 2.706) 14.962 5.081 ( 14.251 0.000 3.803) 14.750 5.105 ( -20.936 0.000 -3.798) 21.278 5.200 ( 15.366 -0.000 -3.773) 15.823 5.622 ( -27.405 0.000 -4.196) 27.724 6.333 ( 19.484 0.000 4.069) 19.904 6.423 ( -4.314 0.000 0.218) 4.320 7.029 ( 21.382 -0.000 -1.236) 21.418 7.560 ( -4.226 0.000 4.125) 5.906 8.197 ( 12.117 -0.000 -7.852) 14.438 8.703 ( -8.431 0.000 -1.546) 8.571 8.737 ( -1.267 0.000 5.152) 5.306 9.697 ( -7.411 -0.000 -1.602) 7.582 9.749 ( -1.470 0.000 0.048) 1.470 10.080 ( -19.187 0.000 2.115) 19.303 10.454 ( -13.150 -0.000 -3.022) 13.493 10.514 ( -7.005 0.000 1.673) 7.202 10.784 ( -3.535 -0.000 -1.027) 3.681 10.821 ( -8.447 0.000 -0.418) 8.458 10.851 ( -3.828 -0.000 -1.430) 4.086 10.991 ( 2.669 -0.000 -1.353) 2.992 11.401 ( 10.516 -0.000 -0.045) 10.516 11.562 ( -25.617 0.000 0.216) 25.618 11.667 ( 3.262 0.000 2.107) 3.884 11.803 ( 8.508 -0.000 -0.105) 8.509 11.943 ( -6.374 0.000 -1.137) 6.475 12.918 ( 5.653 0.000 2.488) 6.177 13.052 ( -6.158 -0.000 -2.636) 6.698 13.473 ( 30.810 -0.000 -0.045) 30.810 13.738 ( 28.247 -0.000 0.879) 28.261 14.418 ( -17.234 0.000 -0.596) 17.245 14.997 ( 11.987 -0.000 1.338) 12.062 15.510 ( -5.353 0.000 4.793) 7.185 15.862 ( 1.511 -0.000 -1.722) 2.291 16.099 ( -9.025 0.000 -0.138) 9.026 16.205 ( -14.858 0.000 -1.449) 14.928 16.532 ( 12.625 -0.000 -1.247) 12.686 16.597 ( 2.322 0.000 1.515) 2.773 16.941 ( 5.767 0.000 3.861) 6.940 17.105 ( 6.809 0.000 2.855) 7.383 17.300 ( 7.197 -0.000 -2.497) 7.618 17.384 ( 9.635 -0.000 -0.899) 9.677 18.955 ( 2.754 0.000 4.619) 5.378 19.116 ( -5.351 -0.000 -9.657) 11.040 ======================= Grid point 38 (34/84) ======================= q-point: (-0.18 -0.08 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 5.043 -5.328 -0.236) 7.340 0.874 ( -9.681 16.280 0.216) 18.942 1.210 ( -8.461 -4.757 -14.917) 17.797 1.673 ( -1.817 0.271 2.231) 2.890 1.716 ( -1.205 1.921 0.232) 2.279 1.802 ( 14.491 -15.092 0.726) 20.935 1.988 ( 4.423 -4.384 9.483) 11.345 2.157 ( 13.068 13.836 -0.468) 19.038 2.631 ( -12.084 -13.318 0.027) 17.983 2.841 ( -10.238 9.477 -2.244) 14.130 3.230 ( -1.344 -2.130 -0.447) 2.558 3.293 ( -2.458 0.116 0.340) 2.484 3.537 ( -6.729 -8.982 -2.911) 11.594 3.562 ( -13.677 -22.780 -1.882) 26.637 3.696 ( -3.505 2.508 0.932) 4.410 4.132 ( -6.891 23.267 -0.171) 24.267 4.494 ( -28.961 5.711 -2.970) 29.668 4.574 ( -36.524 -5.193 4.285) 37.140 5.213 ( 18.450 3.331 -4.685) 19.325 5.389 ( 14.489 -4.963 4.459) 15.951 5.986 ( -0.330 -16.506 3.762) 16.933 6.136 ( 3.225 15.286 -2.915) 15.892 7.139 ( 9.830 -2.135 -2.155) 10.288 7.284 ( 19.061 5.990 1.015) 20.005 7.328 ( 9.329 -14.718 -3.110) 17.701 7.923 ( 5.918 16.438 6.556) 18.661 8.899 ( -7.107 -4.780 -2.207) 8.844 8.942 ( -6.768 -7.288 0.343) 9.952 9.526 ( -19.145 3.026 -0.035) 19.382 9.547 ( -15.859 0.760 0.996) 15.908 9.721 ( -8.798 -5.041 -2.113) 10.358 9.891 ( -12.915 5.630 0.689) 14.105 10.033 ( -5.316 0.227 -0.033) 5.321 10.302 ( -4.947 17.684 2.294) 18.505 10.842 ( -4.272 -0.776 -1.742) 4.678 10.943 ( -4.395 -1.936 1.882) 5.158 11.020 ( -8.876 -11.270 -1.119) 14.390 11.281 ( -8.348 9.785 0.702) 12.881 11.399 ( -17.755 -12.235 -1.073) 21.589 11.689 ( -8.361 10.131 1.181) 13.188 11.840 ( 10.480 -1.516 -2.043) 10.784 12.018 ( 6.722 3.470 2.723) 8.040 12.912 ( 9.353 7.904 -6.335) 13.787 13.066 ( 12.915 -7.674 5.639) 16.047 14.272 ( 15.336 -7.701 -0.083) 17.161 14.370 ( 19.601 1.180 -0.018) 19.636 14.738 ( 4.796 -20.520 3.491) 21.360 14.936 ( 5.134 14.023 -2.723) 15.180 15.407 ( 1.605 -3.337 -2.714) 4.591 15.585 ( 1.905 7.212 0.565) 7.480 16.105 ( -6.826 -6.217 -1.268) 9.319 16.291 ( -3.323 -1.396 2.791) 4.559 16.386 ( -2.564 -4.394 -1.277) 5.245 16.628 ( 5.965 9.892 1.951) 11.715 17.048 ( 6.606 1.280 -7.197) 9.852 17.310 ( 7.516 -0.936 3.734) 8.444 17.467 ( 12.171 -2.992 -4.581) 13.345 17.755 ( 14.167 0.308 3.977) 14.718 18.780 ( -4.096 8.210 -4.083) 10.042 18.944 ( -6.324 -2.044 7.884) 10.312 ======================= Grid point 39 (35/84) ======================= q-point: ( 0.32 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -8.606 -3.482 12.180) 15.314 0.984 ( -9.586 -6.437 13.011) 17.396 1.140 ( 19.988 -15.219 1.185) 25.150 1.585 ( -4.672 1.806 -2.026) 5.403 1.762 ( 3.858 5.174 -3.838) 7.509 1.793 ( -5.272 7.410 -0.842) 9.133 1.891 ( -1.449 17.202 1.259) 17.308 1.978 ( 3.120 5.329 -7.851) 9.988 2.506 ( -16.938 25.740 1.835) 30.868 2.732 ( 2.800 -5.946 1.592) 6.762 2.804 ( -9.637 -8.030 1.098) 12.591 3.168 ( -0.753 1.891 -0.222) 2.048 3.191 ( -7.432 3.038 0.557) 8.049 3.362 ( -29.149 6.144 -1.083) 29.809 3.708 ( -3.249 -5.444 -0.756) 6.385 3.743 ( -13.922 -0.962 5.966) 15.177 3.909 ( -30.925 -9.619 0.009) 32.386 4.658 ( 4.895 -15.210 2.345) 16.150 5.028 ( -9.890 20.319 -4.176) 22.981 5.585 ( 11.883 0.144 4.254) 12.622 6.217 ( 26.536 -1.562 -3.266) 26.782 6.536 ( 7.624 -13.210 1.377) 15.314 7.167 ( 13.040 9.882 4.498) 16.968 7.371 ( 2.981 -2.011 3.110) 4.754 7.884 ( 17.617 -10.297 -1.306) 20.447 8.154 ( -2.429 -6.329 -4.251) 8.002 8.506 ( -11.123 12.621 1.727) 16.912 8.556 ( -12.758 10.506 2.450) 16.708 9.236 ( -12.974 -2.636 0.796) 13.263 9.499 ( -0.138 -5.068 -5.181) 7.249 9.564 ( -2.149 -1.757 -1.901) 3.365 9.687 ( -16.595 -2.509 -0.434) 16.789 9.962 ( -10.280 -6.675 -0.239) 12.260 10.311 ( -19.337 -7.727 -3.123) 21.057 10.424 ( -17.364 12.598 0.451) 21.457 10.655 ( -11.237 7.183 0.425) 13.343 10.935 ( 2.983 -1.581 -0.667) 3.441 11.039 ( 0.515 5.215 1.198) 5.375 11.463 ( -1.633 -11.028 -0.153) 11.150 11.818 ( -5.688 -21.315 -3.081) 22.275 12.030 ( 10.109 0.953 1.514) 10.266 12.200 ( 9.903 3.447 -3.967) 11.211 12.987 ( -0.028 9.341 -7.143) 11.759 13.201 ( 3.770 -2.145 2.830) 5.179 14.049 ( -5.939 20.362 -2.536) 21.362 14.586 ( 12.472 10.249 -1.735) 16.236 14.781 ( 18.750 -0.710 1.526) 18.826 15.288 ( 6.066 -6.471 2.697) 9.270 15.467 ( 4.294 -4.491 7.563) 9.788 15.751 ( 1.427 -1.599 -1.189) 2.451 15.853 ( -2.262 4.512 3.431) 6.103 16.084 ( 0.148 10.021 -1.270) 10.102 16.312 ( -7.696 -2.886 -0.100) 8.220 17.044 ( 11.770 -10.615 -0.626) 15.862 17.335 ( 11.880 -6.942 5.209) 14.713 17.462 ( 8.352 -0.942 -3.013) 8.929 17.658 ( 10.650 1.259 6.583) 12.584 17.936 ( 10.664 7.771 -2.008) 13.347 18.749 ( -11.472 -0.496 -16.919) 20.447 18.824 ( -6.089 -4.992 3.593) 8.655 ======================= Grid point 41 (36/84) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( 0.000 12.260 0.000) 12.260 0.623 ( 0.000 29.011 0.000) 29.011 0.922 ( 0.000 38.213 0.000) 38.213 1.503 ( 0.000 0.704 0.000) 0.704 1.692 ( 0.000 10.309 0.000) 10.309 1.849 ( -0.000 -6.905 -0.000) 6.905 1.942 ( -0.000 -13.935 -0.000) 13.935 2.105 ( -0.000 -9.695 -0.000) 9.695 2.161 ( 0.000 8.313 0.000) 8.313 2.594 ( 0.000 15.343 0.000) 15.343 2.602 ( 0.000 4.035 0.000) 4.035 2.776 ( 0.000 23.251 0.000) 23.251 3.036 ( -0.000 -0.863 -0.000) 0.863 3.160 ( -0.000 -16.329 -0.000) 16.329 3.201 ( -0.000 -0.565 -0.000) 0.565 3.366 ( 0.000 0.088 0.000) 0.088 3.657 ( -0.000 -5.847 -0.000) 5.847 4.728 ( -0.000 -20.620 -0.000) 20.620 4.871 ( 0.000 24.507 0.000) 24.507 5.734 ( 0.000 8.606 0.000) 8.606 6.622 ( -0.000 -26.558 -0.000) 26.558 6.956 ( -0.000 -13.161 -0.000) 13.161 7.417 ( -0.000 -1.297 -0.000) 1.297 7.677 ( 0.000 20.664 0.000) 20.664 7.890 ( 0.000 9.038 0.000) 9.038 7.898 ( -0.000 -2.615 -0.000) 2.615 8.119 ( 0.000 6.662 0.000) 6.662 8.963 ( 0.000 2.411 0.000) 2.411 9.205 ( -0.000 -11.859 -0.000) 11.859 9.279 ( -0.000 -15.234 -0.000) 15.234 9.330 ( 0.000 5.539 0.000) 5.539 9.540 ( 0.000 2.277 0.000) 2.277 9.741 ( -0.000 -4.424 -0.000) 4.424 9.943 ( 0.000 5.954 0.000) 5.954 9.988 ( -0.000 -3.699 -0.000) 3.699 10.364 ( -0.000 -3.900 -0.000) 3.900 10.491 ( 0.000 10.379 0.000) 10.379 11.077 ( 0.000 5.750 0.000) 5.750 11.327 ( -0.000 -1.040 -0.000) 1.040 11.771 ( -0.000 -26.275 -0.000) 26.275 12.328 ( 0.000 3.567 0.000) 3.567 12.772 ( 0.000 17.230 0.000) 17.230 12.885 ( -0.000 -3.132 -0.000) 3.132 13.183 ( -0.000 -21.695 -0.000) 21.695 14.251 ( 0.000 27.433 0.000) 27.433 14.824 ( 0.000 9.583 0.000) 9.583 15.187 ( -0.000 -9.653 -0.000) 9.653 15.256 ( -0.000 -6.932 -0.000) 6.932 15.438 ( -0.000 -2.291 -0.000) 2.291 15.780 ( 0.000 7.755 0.000) 7.755 15.803 ( -0.000 -9.332 -0.000) 9.332 16.100 ( 0.000 1.882 0.000) 1.882 16.366 ( 0.000 16.704 0.000) 16.704 17.278 ( -0.000 -21.033 -0.000) 21.033 17.603 ( -0.000 -9.324 -0.000) 9.324 17.708 ( 0.000 5.417 0.000) 5.417 17.802 ( -0.000 -3.383 -0.000) 3.383 18.155 ( 0.000 13.588 0.000) 13.588 18.564 ( -0.000 -2.814 -0.000) 2.814 18.730 ( 0.000 1.563 0.000) 1.563 ======================= Grid point 42 (37/84) ======================= q-point: (-0.40 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 2.768 -2.153 -4.027) 5.340 1.239 ( 13.115 -13.568 -5.043) 19.532 1.481 ( 1.244 -3.201 -0.436) 3.461 1.528 ( -1.607 2.802 9.454) 9.990 1.648 ( -11.304 8.330 2.401) 14.245 1.674 ( 2.750 -2.141 -15.045) 15.444 1.768 ( 4.964 -0.739 -0.813) 5.084 2.149 ( 8.792 -16.331 -3.748) 18.922 2.268 ( -0.715 -9.808 -0.808) 9.867 2.462 ( 26.376 -28.237 0.356) 38.641 2.588 ( 12.129 7.439 -0.086) 14.229 2.809 ( 2.287 1.108 -1.228) 2.822 3.098 ( 3.112 -0.584 0.002) 3.167 3.155 ( 1.345 -0.857 -0.030) 1.595 3.324 ( 22.034 13.941 2.037) 26.153 3.649 ( 1.368 5.097 1.866) 5.598 4.010 ( -10.954 10.621 1.113) 15.298 4.758 ( 5.396 -22.653 6.038) 24.057 4.790 ( -2.516 17.465 -3.175) 17.928 5.818 ( -2.966 -7.635 -1.500) 8.327 6.637 ( -17.527 13.219 0.637) 21.962 6.734 ( -10.702 19.504 -1.515) 22.299 7.530 ( -4.419 1.634 -6.526) 8.049 7.589 ( -12.848 -11.073 -5.784) 17.920 7.798 ( 7.190 6.858 2.900) 10.350 8.201 ( 7.000 -2.843 1.247) 7.657 8.338 ( 9.948 -11.245 -3.405) 15.395 8.512 ( -14.204 -2.160 2.199) 14.535 9.145 ( -1.074 2.621 -0.541) 2.883 9.296 ( 14.199 5.903 2.870) 15.643 9.393 ( 5.953 1.559 0.189) 6.157 9.603 ( -12.321 3.033 2.937) 13.025 9.732 ( 12.488 1.607 -0.025) 12.591 9.889 ( 12.347 2.061 3.202) 12.921 10.097 ( 13.699 -9.484 -0.471) 16.668 10.537 ( 2.977 -10.264 -0.660) 10.707 10.777 ( 21.113 10.263 1.884) 23.550 11.072 ( -0.314 -5.316 -0.488) 5.348 11.368 ( 2.281 3.124 -0.526) 3.904 11.665 ( -0.119 24.044 4.135) 24.397 12.245 ( -7.905 -3.050 -1.159) 8.552 12.295 ( -9.147 -6.403 4.301) 11.965 12.715 ( 6.373 -18.422 8.954) 21.452 13.233 ( 4.269 2.316 -0.950) 4.949 13.888 ( 3.912 -23.527 2.080) 23.940 14.711 ( -3.715 -6.890 1.593) 7.988 15.146 ( -13.167 2.491 -2.185) 13.578 15.416 ( 0.621 5.353 -3.443) 6.395 15.583 ( 1.004 5.857 -1.402) 6.106 15.778 ( -1.575 4.610 0.356) 4.884 15.952 ( -0.168 -0.643 -0.847) 1.077 16.128 ( -4.506 -9.848 1.989) 11.011 16.146 ( 4.346 -3.804 0.962) 5.855 17.267 ( -9.566 10.385 0.069) 14.120 17.512 ( -2.936 6.419 -1.319) 7.181 17.685 ( -8.372 6.929 -0.153) 10.868 17.999 ( -10.517 -1.884 -3.462) 11.231 18.084 ( -3.385 -9.390 -1.830) 10.148 18.231 ( 3.961 -2.094 3.752) 5.844 18.806 ( 5.820 4.949 -6.456) 10.002 ======================= Grid point 43 (38/84) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -1.642 -2.089 -0.000) 2.657 0.787 ( 11.656 10.402 0.000) 15.623 0.870 ( -17.555 -9.627 -0.000) 20.022 1.625 ( 3.945 0.864 0.000) 4.039 1.713 ( -0.172 -5.143 -0.000) 5.146 2.078 ( -5.984 11.508 0.000) 12.971 2.212 ( -4.661 6.530 0.000) 8.023 2.237 ( 6.680 12.690 0.000) 14.341 2.523 ( -6.372 -6.532 -0.000) 9.126 2.571 ( 11.920 -10.093 -0.000) 15.620 3.121 ( 24.609 26.445 0.000) 36.124 3.182 ( 2.841 0.680 0.000) 2.921 3.251 ( 5.102 2.518 0.000) 5.690 3.413 ( 3.487 2.103 0.000) 4.072 3.646 ( 2.546 -0.997 -0.000) 2.735 3.663 ( 34.074 -14.439 -0.000) 37.007 3.920 ( 28.329 21.946 0.000) 35.835 4.171 ( 3.547 -29.210 -0.000) 29.425 5.492 ( -13.027 -6.489 -0.000) 14.554 5.541 ( 2.330 22.989 0.000) 23.107 6.180 ( -5.121 -15.772 -0.000) 16.583 6.221 ( -16.805 -0.724 0.000) 16.820 7.384 ( -15.581 13.236 0.000) 20.444 7.410 ( -2.570 9.549 0.000) 9.889 7.676 ( -14.638 -10.362 -0.000) 17.934 8.050 ( -4.094 -11.326 -0.000) 12.043 8.669 ( 11.756 5.868 0.000) 13.140 8.765 ( 12.080 10.422 0.000) 15.955 9.168 ( 11.150 -2.178 -0.000) 11.361 9.473 ( -3.038 -8.503 -0.000) 9.029 9.493 ( 10.498 0.509 -0.000) 10.510 9.634 ( 13.628 -2.637 -0.000) 13.881 9.896 ( 8.311 -0.238 -0.000) 8.314 10.122 ( 14.036 -12.798 -0.000) 18.995 10.648 ( 15.192 10.180 0.000) 18.288 10.861 ( 5.827 13.276 0.000) 14.498 10.865 ( 7.728 -6.400 -0.000) 10.034 11.159 ( 2.700 7.978 0.000) 8.422 11.196 ( 0.781 -15.204 -0.000) 15.224 11.482 ( 11.293 -13.485 -0.000) 17.589 12.049 ( -11.878 1.424 0.000) 11.963 12.264 ( -12.742 -1.978 0.000) 12.895 12.930 ( -0.692 -7.051 -0.000) 7.085 13.297 ( -2.158 4.457 0.000) 4.952 14.495 ( -9.475 17.605 0.000) 19.993 14.636 ( -8.566 -10.038 -0.000) 13.196 14.955 ( -7.925 18.636 0.000) 20.251 15.061 ( -7.063 -13.562 -0.000) 15.291 15.408 ( -3.716 6.097 0.000) 7.140 15.644 ( -2.967 -6.961 -0.000) 7.567 15.936 ( 6.947 6.254 0.000) 9.347 16.247 ( 4.144 -3.286 -0.000) 5.289 16.419 ( -7.355 15.649 0.000) 17.291 16.768 ( -4.307 -12.487 -0.000) 13.209 17.109 ( -9.101 -6.457 -0.000) 11.159 17.559 ( -8.139 -0.650 0.000) 8.165 17.597 ( -10.208 4.766 0.000) 11.266 18.083 ( -13.373 3.352 0.000) 13.786 18.636 ( 5.796 -9.417 -0.000) 11.057 18.925 ( 5.994 1.213 0.000) 6.115 ======================= Grid point 44 (39/84) ======================= q-point: (-0.40 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -21.689 0.000 0.617) 21.698 1.052 ( -20.194 0.000 -0.821) 20.211 1.504 ( 3.556 -0.000 -17.299) 17.661 1.544 ( 3.136 0.000 5.398) 6.243 1.690 ( 6.758 0.000 2.114) 7.081 1.707 ( 9.494 0.000 3.675) 10.181 1.786 ( 1.899 0.000 2.869) 3.440 1.957 ( 12.051 -0.000 -4.914) 13.015 2.730 ( 21.475 -0.000 -3.319) 21.730 2.769 ( -7.711 0.000 2.721) 8.177 2.864 ( 0.308 -0.000 -2.767) 2.784 3.283 ( 6.292 -0.000 0.260) 6.297 3.296 ( 6.458 -0.000 -1.665) 6.669 3.617 ( -2.352 -0.000 -3.976) 4.619 3.844 ( 4.318 0.000 1.086) 4.452 4.347 ( 42.575 -0.000 6.061) 43.004 4.636 ( 29.373 -0.000 -2.283) 29.462 4.642 ( -13.140 0.000 -1.764) 13.258 5.012 ( 20.094 0.000 5.833) 20.924 5.485 ( -12.570 -0.000 -6.147) 13.993 5.556 ( -28.123 0.000 5.123) 28.586 6.444 ( -6.830 0.000 0.065) 6.830 6.855 ( -19.395 -0.000 -7.761) 20.890 7.456 ( -24.483 0.000 1.866) 24.554 7.607 ( 2.739 -0.000 -6.121) 6.706 8.257 ( -7.768 0.000 4.316) 8.886 8.469 ( 10.361 0.000 2.620) 10.687 8.737 ( 9.142 -0.000 -3.284) 9.714 9.446 ( 9.634 0.000 3.870) 10.382 9.678 ( 23.478 -0.000 -1.591) 23.532 9.679 ( 4.921 -0.000 0.571) 4.954 10.068 ( 18.089 -0.000 2.194) 18.222 10.361 ( 9.808 -0.000 -0.427) 9.817 10.490 ( 16.132 -0.000 0.564) 16.142 10.641 ( 13.281 0.000 7.822) 15.413 10.793 ( -5.947 0.000 0.560) 5.973 11.005 ( -0.089 -0.000 -2.728) 2.730 11.019 ( 25.721 -0.000 -0.573) 25.727 11.575 ( -5.223 0.000 -0.582) 5.255 11.850 ( -7.819 -0.000 -2.329) 8.158 11.896 ( -4.372 0.000 3.684) 5.717 11.990 ( -9.319 0.000 -0.080) 9.319 12.689 ( 9.545 0.000 10.639) 14.293 13.275 ( -7.383 -0.000 -6.533) 9.859 14.065 ( -26.273 0.000 0.088) 26.274 14.076 ( 15.450 -0.000 0.263) 15.452 14.314 ( -26.922 0.000 -0.811) 26.935 15.264 ( -9.780 -0.000 -3.075) 10.253 15.645 ( -4.404 -0.000 -8.484) 9.559 15.793 ( 5.347 -0.000 0.593) 5.380 15.920 ( 8.472 -0.000 -0.111) 8.473 16.007 ( 1.795 0.000 1.798) 2.541 16.516 ( 6.687 -0.000 -0.325) 6.695 16.816 ( -13.815 0.000 0.077) 13.816 17.215 ( -12.060 -0.000 -4.509) 12.875 17.343 ( -7.729 0.000 1.968) 7.975 17.528 ( -18.019 -0.000 -5.423) 18.817 17.555 ( -10.078 0.000 1.996) 10.274 18.626 ( 13.612 0.000 16.113) 21.093 19.063 ( 2.695 -0.000 -5.376) 6.014 ======================= Grid point 45 (40/84) ======================= q-point: ( 0.10 -0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 11.433 -19.296 -0.000) 22.429 1.113 ( 11.765 16.928 0.000) 20.615 1.343 ( 5.727 3.887 0.000) 6.922 1.468 ( -15.043 -15.450 -0.000) 21.564 1.623 ( -0.298 -1.507 -0.000) 1.536 1.797 ( 4.412 -1.366 -0.000) 4.618 1.845 ( -15.438 18.326 0.000) 23.962 2.076 ( -6.759 3.391 0.000) 7.562 2.781 ( 8.984 -11.070 -0.000) 14.257 3.023 ( 4.109 0.864 0.000) 4.198 3.262 ( 1.934 0.197 -0.000) 1.944 3.325 ( -0.626 3.846 0.000) 3.897 3.705 ( 6.045 0.624 -0.000) 6.077 3.731 ( 6.120 -2.756 -0.000) 6.712 3.871 ( 11.865 -13.009 -0.000) 17.608 4.221 ( -0.545 11.954 0.000) 11.966 4.673 ( -11.488 0.007 0.000) 11.488 5.073 ( 19.762 -1.629 -0.000) 19.829 5.100 ( -12.037 5.013 0.000) 13.039 5.273 ( 15.926 0.223 -0.000) 15.927 5.815 ( 7.180 -13.809 -0.000) 15.564 6.242 ( -4.390 2.661 0.000) 5.133 6.897 ( -10.609 -2.021 -0.000) 10.800 7.219 ( -0.757 3.742 0.000) 3.818 7.412 ( -13.141 17.400 0.000) 21.805 7.429 ( -9.243 -6.989 -0.000) 11.588 8.894 ( 4.378 -8.445 -0.000) 9.512 9.157 ( 1.572 -0.944 -0.000) 1.834 9.738 ( 8.162 -4.404 -0.000) 9.275 9.842 ( 5.706 -1.335 -0.000) 5.860 10.052 ( 5.240 -1.906 -0.000) 5.576 10.085 ( 12.989 7.575 0.000) 15.037 10.195 ( 3.048 8.792 0.000) 9.305 10.208 ( 19.351 3.327 -0.000) 19.635 10.817 ( 0.963 -2.913 -0.000) 3.068 11.094 ( 3.763 -1.282 -0.000) 3.976 11.254 ( -4.907 4.943 0.000) 6.965 11.321 ( 9.955 -9.741 -0.000) 13.928 11.694 ( 2.647 -2.753 -0.000) 3.819 11.724 ( 3.714 4.547 0.000) 5.871 11.930 ( 10.203 -7.794 -0.000) 12.839 11.952 ( 6.167 3.061 0.000) 6.885 12.522 ( -2.049 -1.081 -0.000) 2.316 12.970 ( -18.590 9.094 0.000) 20.695 13.836 ( -22.382 -8.497 -0.000) 23.941 13.938 ( -20.978 -1.534 0.000) 21.034 14.678 ( 7.520 -10.536 -0.000) 12.944 15.026 ( -4.849 8.872 0.000) 10.110 15.472 ( -1.505 1.731 0.000) 2.294 15.477 ( -3.641 8.743 0.000) 9.471 16.234 ( 8.084 -4.219 -0.000) 9.119 16.325 ( 2.253 -7.088 -0.000) 7.438 16.366 ( -2.063 2.951 0.000) 3.601 16.728 ( -2.299 11.766 0.000) 11.989 16.885 ( 0.586 -1.819 -0.000) 1.911 17.231 ( -8.330 2.896 0.000) 8.819 17.259 ( -6.592 -0.539 0.000) 6.614 17.460 ( -11.001 -6.179 -0.000) 12.617 18.668 ( 5.632 -5.359 -0.000) 7.774 19.137 ( 1.740 3.324 0.000) 3.752 ======================= Grid point 46 (41/84) ======================= q-point: (-0.40 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -16.933 20.580 0.235) 26.652 0.583 ( 16.933 20.580 -0.235) 26.652 1.598 ( 0.515 -0.410 -8.617) 8.642 1.598 ( -0.515 -0.410 8.617) 8.642 1.782 ( -0.316 -0.780 -3.589) 3.686 1.782 ( 0.316 -0.780 3.589) 3.686 1.970 ( -12.966 -17.678 0.674) 21.934 1.970 ( 12.966 -17.678 -0.674) 21.934 2.765 ( -8.299 13.210 -0.997) 15.632 2.765 ( 8.299 13.210 0.997) 15.632 3.386 ( -0.343 -3.139 -1.349) 3.434 3.386 ( 0.343 -3.139 1.349) 3.434 3.747 ( 0.674 2.975 -1.758) 3.521 3.747 ( -0.674 2.975 1.758) 3.521 4.004 ( -13.959 4.258 -0.381) 14.599 4.004 ( 13.959 4.258 0.381) 14.599 4.846 ( -5.290 -8.570 -6.171) 11.812 4.846 ( 5.290 -8.570 6.171) 11.812 5.339 ( -1.975 4.698 -4.148) 6.571 5.339 ( 1.975 4.698 4.148) 6.571 6.054 ( -14.353 2.014 -5.672) 15.564 6.054 ( 14.353 2.014 5.672) 15.564 6.694 ( -3.586 6.995 0.596) 7.884 6.694 ( 3.586 6.995 -0.596) 7.884 7.649 ( 10.120 -14.157 -6.924) 18.729 7.649 ( -10.120 -14.157 6.924) 18.729 8.903 ( -4.709 9.388 -3.354) 11.025 8.903 ( 4.709 9.388 3.354) 11.025 9.773 ( -1.095 1.598 -0.684) 2.054 9.773 ( 1.095 1.598 0.684) 2.054 10.375 ( 8.343 -7.431 -3.586) 11.734 10.375 ( -8.343 -7.431 3.586) 11.734 10.502 ( 1.678 -10.642 -1.870) 10.934 10.502 ( -1.678 -10.642 1.870) 10.934 10.928 ( -4.070 4.342 -3.679) 6.997 10.928 ( 4.070 4.342 3.679) 6.997 11.242 ( -2.718 4.427 0.318) 5.204 11.242 ( 2.718 4.427 -0.318) 5.204 11.691 ( -6.281 3.510 0.647) 7.225 11.691 ( 6.281 3.510 -0.647) 7.225 11.999 ( 2.919 1.031 -2.072) 3.725 11.999 ( -2.919 1.031 2.072) 3.725 12.810 ( -0.332 -11.224 -2.484) 11.501 12.810 ( 0.332 -11.224 2.484) 11.501 13.446 ( -9.344 11.922 -1.786) 15.252 13.446 ( 9.344 11.922 1.786) 15.252 14.784 ( -13.576 3.752 -1.323) 14.147 14.784 ( 13.576 3.752 1.323) 14.147 15.613 ( 5.129 -8.953 -2.772) 10.684 15.613 ( -5.129 -8.953 2.772) 10.684 16.289 ( -4.758 1.152 0.536) 4.925 16.289 ( 4.758 1.152 -0.536) 4.925 16.505 ( -10.012 0.858 -3.185) 10.542 16.505 ( 10.012 0.858 3.185) 10.542 17.046 ( 1.194 3.154 -4.892) 5.942 17.046 ( -1.194 3.154 4.892) 5.942 17.217 ( -3.925 -0.130 -0.180) 3.931 17.217 ( 3.925 -0.130 0.180) 3.931 18.993 ( -4.533 -2.110 -8.318) 9.705 18.993 ( 4.533 -2.110 8.318) 9.705 ======================= Grid point 48 (42/84) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 4.489 -4.943 -0.000) 6.677 0.970 ( 19.707 -19.806 -0.000) 27.940 1.163 ( -11.955 -3.338 -0.000) 12.412 1.630 ( -14.322 19.177 0.000) 23.935 1.743 ( 2.481 3.763 0.000) 4.507 1.837 ( -6.024 0.411 0.000) 6.038 1.924 ( 3.856 -3.780 -0.000) 5.400 2.188 ( 9.367 12.563 0.000) 15.671 2.591 ( -8.816 -11.066 -0.000) 14.148 2.871 ( 5.510 -9.693 -0.000) 11.150 3.275 ( -5.438 1.757 0.000) 5.714 3.380 ( -5.952 0.311 0.000) 5.960 3.471 ( -19.883 -13.556 -0.000) 24.065 3.555 ( -7.696 -2.495 -0.000) 8.091 3.910 ( -4.335 4.151 0.000) 6.002 4.264 ( 13.023 1.931 -0.000) 13.165 4.875 ( 7.279 7.994 0.000) 10.811 5.077 ( 2.855 4.104 0.000) 5.000 5.095 ( -10.287 -1.422 0.000) 10.385 5.256 ( -10.924 -0.622 0.000) 10.942 5.862 ( -19.023 -15.377 -0.000) 24.460 6.137 ( 9.483 6.985 0.000) 11.778 6.678 ( 7.424 -17.052 -0.000) 18.598 7.001 ( 19.104 3.125 -0.000) 19.358 7.344 ( -4.116 14.306 0.000) 14.886 8.137 ( 12.519 14.027 0.000) 18.801 8.796 ( -2.034 -10.569 -0.000) 10.763 8.857 ( -6.529 -10.543 -0.000) 12.401 9.728 ( -6.425 -1.276 -0.000) 6.550 9.745 ( -1.922 -0.211 0.000) 1.934 10.026 ( -18.155 2.751 0.000) 18.362 10.335 ( -9.247 10.937 0.000) 14.322 10.367 ( -15.083 8.515 0.000) 17.320 10.725 ( 6.324 20.569 0.000) 21.519 10.843 ( 2.527 -0.215 -0.000) 2.536 10.930 ( -4.211 -9.087 -0.000) 10.015 10.983 ( -11.118 -9.750 -0.000) 14.788 11.493 ( 3.505 -1.082 -0.000) 3.668 11.616 ( -12.217 -2.807 -0.000) 12.536 11.649 ( -7.944 -3.473 -0.000) 8.670 11.828 ( 1.533 -0.798 -0.000) 1.728 11.980 ( 0.104 -4.138 -0.000) 4.139 12.804 ( 8.619 7.091 0.000) 11.162 12.924 ( 2.384 10.066 0.000) 10.345 13.661 ( 22.861 -12.852 -0.000) 26.226 13.810 ( 26.217 -6.579 -0.000) 27.030 14.537 ( -13.469 -10.223 -0.000) 16.909 14.964 ( 8.813 2.253 0.000) 9.097 15.402 ( -5.174 3.944 0.000) 6.506 15.755 ( 1.824 10.496 0.000) 10.653 16.134 ( -7.144 -2.968 -0.000) 7.736 16.283 ( -12.268 -6.081 -0.000) 13.692 16.544 ( -0.107 3.977 0.000) 3.979 16.566 ( 11.041 -0.000 -0.000) 11.041 16.883 ( 4.209 0.282 -0.000) 4.218 17.111 ( 6.223 -2.940 -0.000) 6.883 17.269 ( 4.946 2.268 0.000) 5.441 17.477 ( 11.770 -4.740 -0.000) 12.689 18.869 ( 2.478 3.274 0.000) 4.106 19.182 ( -3.205 3.827 0.000) 4.991 ======================= Grid point 49 (43/84) ======================= q-point: ( 0.60 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 4.780 5.204 0.405) 7.077 0.870 ( -9.403 -16.602 -0.123) 19.080 1.558 ( -2.002 0.238 -0.590) 2.101 1.565 ( -1.860 -0.156 5.141) 5.469 1.716 ( -2.275 2.127 -2.025) 3.715 1.751 ( 0.526 -0.311 1.386) 1.515 1.845 ( 14.991 15.216 -2.008) 21.454 2.168 ( 13.014 -14.359 0.491) 19.385 2.626 ( -12.165 13.418 -0.479) 18.118 2.876 ( -10.385 -9.974 0.873) 14.426 3.236 ( -0.818 3.255 -0.018) 3.356 3.294 ( -2.432 -1.919 0.458) 3.132 3.574 ( -14.893 28.459 0.872) 32.132 3.622 ( -1.446 2.198 2.428) 3.580 3.667 ( -4.021 -3.795 -1.684) 5.780 4.131 ( -9.949 -23.644 -0.288) 25.654 4.465 ( -37.351 5.508 -5.180) 38.109 4.583 ( -27.232 -5.619 5.009) 28.253 5.268 ( 13.833 4.690 -6.295) 15.906 5.340 ( 18.947 -3.422 6.586) 20.349 5.884 ( 1.082 17.063 -5.273) 17.892 6.213 ( 2.638 -13.259 3.849) 14.056 7.195 ( 10.305 -0.504 2.720) 10.670 7.257 ( 18.225 -6.635 -1.296) 19.438 7.429 ( 9.115 15.602 6.246) 19.119 7.776 ( 6.854 -16.740 -6.267) 19.144 8.877 ( -6.691 10.190 -2.619) 12.468 8.996 ( -6.725 0.082 3.478) 7.571 9.498 ( -15.917 2.006 -1.945) 16.161 9.553 ( -20.944 -3.820 0.909) 21.309 9.767 ( -9.531 5.827 1.934) 11.337 9.870 ( -12.247 -5.589 -1.289) 13.524 10.035 ( -4.876 1.856 0.134) 5.219 10.235 ( -5.363 -14.835 -3.691) 16.200 10.887 ( -5.196 1.750 1.288) 5.632 10.896 ( -4.043 1.191 -1.395) 4.439 11.044 ( -9.950 11.256 1.060) 15.061 11.262 ( -6.765 -10.033 -1.008) 12.143 11.430 ( -16.141 12.027 1.733) 20.204 11.663 ( -10.403 -10.992 -1.145) 15.178 11.890 ( 10.322 2.246 2.278) 10.806 11.952 ( 6.360 -3.193 -2.867) 7.672 12.895 ( 10.759 9.690 -8.472) 16.776 13.085 ( 10.899 -8.563 7.850) 15.929 14.274 ( 15.355 7.467 0.130) 17.075 14.371 ( 19.879 -1.404 0.128) 19.929 14.659 ( 3.204 19.599 -3.486) 20.163 15.013 ( 5.838 -14.727 4.242) 16.401 15.467 ( 2.609 1.141 2.532) 3.810 15.567 ( 2.008 -7.945 -1.096) 8.268 16.129 ( -5.923 7.561 0.329) 9.610 16.246 ( -3.271 0.876 -0.763) 3.471 16.398 ( -2.718 4.196 -0.269) 5.006 16.616 ( 5.682 -11.839 1.254) 13.191 17.203 ( 6.546 -0.360 1.533) 6.733 17.210 ( 6.858 -0.533 -0.831) 6.929 17.583 ( 14.232 3.540 5.446) 15.644 17.645 ( 13.556 -1.916 -5.277) 14.673 18.752 ( -7.759 6.640 -8.934) 13.569 18.897 ( -4.422 -7.168 6.328) 10.535 ======================= Grid point 50 (44/84) ======================= q-point: ( 0.10 -0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -14.795 0.000 0.000) 14.795 1.155 ( -17.946 0.000 0.000) 17.946 1.425 ( 15.495 -0.000 -0.000) 15.495 1.529 ( -16.255 0.000 0.000) 16.255 1.538 ( 14.160 -0.000 -0.000) 14.160 1.603 ( -4.705 0.000 0.000) 4.705 1.933 ( 2.219 -0.000 -0.000) 2.219 1.960 ( 2.204 -0.000 -0.000) 2.204 2.172 ( -19.602 0.000 0.000) 19.602 2.777 ( -1.781 0.000 0.000) 1.781 2.910 ( -3.300 0.000 0.000) 3.300 3.121 ( -4.990 0.000 0.000) 4.990 3.156 ( -3.032 0.000 0.000) 3.032 3.374 ( -1.093 0.000 0.000) 1.093 3.602 ( -48.414 0.000 0.000) 48.414 3.801 ( -2.874 0.000 0.000) 2.874 4.009 ( -27.764 0.000 0.000) 27.764 4.777 ( 8.081 -0.000 -0.000) 8.081 4.838 ( -12.741 0.000 0.000) 12.741 5.541 ( 7.339 -0.000 -0.000) 7.339 6.272 ( 28.679 -0.000 -0.000) 28.679 6.659 ( 13.412 -0.000 -0.000) 13.412 7.009 ( 15.358 -0.000 -0.000) 15.358 7.381 ( -2.576 0.000 0.000) 2.576 8.021 ( 25.179 -0.000 -0.000) 25.179 8.277 ( -14.707 0.000 0.000) 14.707 8.297 ( -11.893 0.000 0.000) 11.893 8.397 ( -11.940 0.000 0.000) 11.940 9.255 ( -13.497 0.000 0.000) 13.497 9.588 ( -6.213 0.000 0.000) 6.213 9.668 ( 10.806 -0.000 -0.000) 10.806 9.718 ( -19.419 0.000 0.000) 19.419 10.124 ( -14.668 0.000 0.000) 14.668 10.194 ( -14.128 0.000 0.000) 14.128 10.430 ( -22.484 0.000 0.000) 22.484 10.578 ( -14.865 0.000 0.000) 14.865 10.954 ( 8.845 -0.000 -0.000) 8.845 10.971 ( 2.152 -0.000 -0.000) 2.152 11.603 ( -1.254 0.000 0.000) 1.254 11.989 ( 10.486 -0.000 -0.000) 10.486 12.136 ( 6.717 -0.000 -0.000) 6.717 12.231 ( 10.204 -0.000 -0.000) 10.204 13.073 ( -1.616 0.000 0.000) 1.616 13.089 ( 3.478 -0.000 -0.000) 3.478 13.830 ( -11.270 0.000 0.000) 11.270 14.479 ( 14.522 -0.000 -0.000) 14.522 14.772 ( 20.588 -0.000 -0.000) 20.588 15.323 ( 5.397 -0.000 -0.000) 5.397 15.371 ( 3.637 -0.000 -0.000) 3.637 15.739 ( -7.513 0.000 0.000) 7.513 15.764 ( 1.786 -0.000 -0.000) 1.786 16.033 ( -1.267 0.000 0.000) 1.267 16.343 ( -8.864 0.000 0.000) 8.864 17.153 ( 14.602 -0.000 -0.000) 14.602 17.385 ( 15.800 -0.000 -0.000) 15.800 17.490 ( 10.037 -0.000 -0.000) 10.037 17.615 ( 5.466 -0.000 -0.000) 5.466 17.809 ( 8.991 -0.000 -0.000) 8.991 18.832 ( -6.263 0.000 0.000) 6.263 19.047 ( -5.199 0.000 0.000) 5.199 ======================= Grid point 52 (45/84) ======================= q-point: (-0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -0.000 -0.000 -15.443) 15.443 0.356 ( -0.000 -0.000 -15.632) 15.632 0.865 ( -0.000 -0.000 -39.490) 39.490 1.447 ( 0.000 0.000 3.679) 3.679 1.570 ( 0.000 0.000 1.536) 1.536 1.736 ( -0.000 -0.000 -4.236) 4.236 1.854 ( 0.000 0.000 11.985) 11.985 1.937 ( 0.000 0.000 3.272) 3.272 2.131 ( 0.000 0.000 0.990) 0.990 2.312 ( -0.000 -0.000 -5.126) 5.126 2.486 ( 0.000 0.000 0.931) 0.931 2.564 ( -0.000 -0.000 -1.858) 1.858 3.069 ( -0.000 -0.000 -1.906) 1.906 3.192 ( 0.000 0.000 1.709) 1.709 3.317 ( 0.000 0.000 2.059) 2.059 3.749 ( 0.000 0.000 0.604) 0.604 4.490 ( 0.000 0.000 5.545) 5.545 4.532 ( 0.000 0.000 4.399) 4.399 4.953 ( -0.000 -0.000 -1.790) 1.790 5.792 ( 0.000 0.000 2.037) 2.037 7.099 ( -0.000 -0.000 -0.020) 0.020 7.265 ( -0.000 -0.000 -1.690) 1.690 7.472 ( 0.000 0.000 1.854) 1.854 7.498 ( -0.000 -0.000 -5.516) 5.516 7.776 ( 0.000 0.000 1.970) 1.970 7.829 ( -0.000 -0.000 -2.838) 2.838 8.037 ( 0.000 0.000 0.456) 0.456 8.917 ( 0.000 0.000 1.698) 1.698 9.119 ( -0.000 -0.000 -0.184) 0.184 9.291 ( -0.000 -0.000 -1.392) 1.392 9.402 ( 0.000 0.000 0.730) 0.730 9.437 ( 0.000 0.000 0.730) 0.730 9.768 ( 0.000 0.000 1.817) 1.817 9.888 ( -0.000 -0.000 -0.574) 0.574 10.016 ( -0.000 -0.000 -0.064) 0.064 10.386 ( -0.000 -0.000 -0.370) 0.370 10.400 ( 0.000 0.000 0.322) 0.322 11.012 ( 0.000 0.000 0.094) 0.094 11.351 ( -0.000 -0.000 -1.236) 1.236 12.168 ( 0.000 0.000 2.902) 2.902 12.286 ( -0.000 -0.000 -0.284) 0.284 12.309 ( -0.000 -0.000 -1.211) 1.211 12.356 ( 0.000 0.000 6.403) 6.403 13.211 ( 0.000 0.000 0.828) 0.828 13.598 ( 0.000 0.000 0.143) 0.143 14.707 ( 0.000 0.000 1.481) 1.481 15.307 ( -0.000 -0.000 -0.449) 0.449 15.327 ( -0.000 -0.000 -4.038) 4.038 15.636 ( -0.000 -0.000 -0.301) 0.301 15.930 ( 0.000 0.000 0.350) 0.350 15.945 ( 0.000 0.000 0.656) 0.656 16.076 ( 0.000 0.000 1.707) 1.707 16.101 ( 0.000 0.000 2.727) 2.727 17.541 ( 0.000 0.000 4.234) 4.234 17.577 ( -0.000 -0.000 -0.402) 0.402 17.857 ( -0.000 -0.000 -1.664) 1.664 17.908 ( -0.000 -0.000 -12.568) 12.568 17.981 ( 0.000 0.000 1.820) 1.820 18.163 ( -0.000 -0.000 -0.004) 0.004 18.646 ( -0.000 -0.000 -4.946) 4.946 ======================= Grid point 53 (46/84) ======================= q-point: ( 0.38 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -12.163 -8.161 0.044) 14.647 1.068 ( -0.042 6.364 14.923) 16.224 1.249 ( -15.952 13.506 2.968) 21.111 1.588 ( 1.707 -4.403 -0.072) 4.723 1.594 ( 2.965 0.389 1.683) 3.432 1.781 ( 14.712 -14.009 -3.726) 20.654 2.140 ( 7.039 6.131 -7.024) 11.682 2.259 ( 6.759 8.067 -8.454) 13.500 2.519 ( 0.355 -9.704 -1.138) 9.777 2.628 ( 21.332 -14.883 -0.378) 26.013 2.701 ( -5.119 8.650 0.456) 10.061 2.929 ( 25.277 18.185 1.190) 31.162 3.132 ( 6.440 -2.430 -0.323) 6.891 3.157 ( 2.970 0.979 -0.119) 3.130 3.291 ( 7.342 -43.139 0.176) 43.760 3.508 ( 1.292 2.040 5.237) 5.767 3.746 ( -3.177 6.754 4.619) 8.777 4.338 ( 0.300 34.103 -4.068) 34.346 5.189 ( 2.632 -29.137 4.527) 29.604 5.931 ( -2.640 11.805 -3.176) 12.507 6.334 ( -1.446 3.717 -0.953) 4.100 6.461 ( -17.005 10.641 1.323) 20.103 7.545 ( 6.436 5.923 2.124) 9.001 7.660 ( -4.459 -0.092 -4.492) 6.330 7.986 ( -17.775 -9.371 -3.804) 20.451 8.068 ( -15.230 7.169 1.787) 16.928 8.473 ( 4.503 -4.382 1.310) 6.418 8.643 ( 12.721 -0.263 -2.345) 12.938 9.080 ( 12.155 4.073 3.563) 13.305 9.172 ( 8.773 -4.409 -1.829) 9.988 9.434 ( -1.610 -4.334 -0.632) 4.666 9.478 ( -6.516 5.233 0.941) 8.410 9.739 ( 8.245 -2.919 -0.320) 8.753 9.777 ( 7.413 3.045 1.539) 8.160 10.320 ( 18.198 -11.421 -0.308) 21.487 10.531 ( 20.357 11.570 0.579) 23.422 10.832 ( 0.916 -17.152 -0.685) 17.190 11.153 ( -0.147 16.701 0.724) 16.718 11.212 ( 0.542 -2.882 0.183) 2.938 11.300 ( -1.387 5.042 0.157) 5.232 12.304 ( -10.945 -1.611 1.965) 11.236 12.375 ( -9.372 -5.493 -2.847) 11.230 12.818 ( 4.603 -10.784 7.837) 14.104 13.220 ( 7.598 2.400 -2.355) 8.309 14.366 ( -0.522 -26.209 2.176) 26.304 14.839 ( -1.551 -6.336 -0.336) 6.532 15.058 ( -10.466 9.312 -0.417) 14.015 15.316 ( -1.398 11.726 -2.461) 12.063 15.545 ( 2.000 -1.574 -0.655) 2.628 15.626 ( 0.838 7.644 0.438) 7.702 15.985 ( -0.981 -0.867 3.924) 4.137 16.138 ( 1.125 -1.842 -1.645) 2.713 16.416 ( -3.854 -17.633 1.425) 18.105 17.023 ( -8.067 18.734 -6.626) 21.446 17.364 ( -8.327 5.395 8.308) 12.941 17.586 ( -1.579 -2.162 -0.523) 2.728 17.940 ( -8.211 4.178 3.052) 9.705 18.297 ( -8.666 0.200 -7.205) 11.272 18.351 ( 2.748 -10.724 1.760) 11.209 18.817 ( 4.872 7.953 -7.664) 12.071 ======================= Grid point 55 (47/84) ======================= q-point: (-0.62 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -19.311 11.032 -0.243) 22.242 1.201 ( 5.655 9.716 -0.521) 11.254 1.399 ( 5.027 3.692 7.241) 9.557 1.504 ( -12.471 -9.091 -0.011) 15.433 1.605 ( 2.834 -1.062 2.729) 4.075 1.717 ( 1.682 0.237 0.618) 1.807 1.978 ( 3.831 -5.102 -11.907) 13.509 2.239 ( 4.548 -7.618 -2.744) 9.288 2.552 ( -7.165 9.481 0.591) 11.899 2.973 ( 1.073 -2.588 -0.273) 2.815 3.044 ( 21.373 -20.746 -1.072) 29.805 3.223 ( 4.820 2.255 -0.149) 5.324 3.330 ( 4.125 0.165 0.157) 4.132 3.647 ( -1.363 0.108 0.216) 1.384 3.747 ( 5.583 6.287 0.857) 8.452 4.283 ( 42.044 -3.449 2.909) 42.285 4.493 ( 10.022 13.174 0.008) 16.553 4.735 ( 13.453 -0.380 -2.707) 13.728 5.007 ( 8.906 -8.719 4.341) 13.197 5.522 ( -19.652 -6.474 3.078) 20.918 5.552 ( -14.972 3.625 -3.987) 15.913 6.414 ( -8.213 3.193 -0.954) 8.863 7.163 ( -15.335 -11.986 -5.847) 20.323 7.355 ( -22.980 5.128 1.635) 23.602 7.565 ( 0.941 12.869 -4.894) 13.801 7.989 ( -7.008 14.185 2.792) 16.066 8.590 ( 6.179 -12.117 2.350) 13.803 8.936 ( 7.556 -10.668 -2.134) 13.246 9.405 ( 13.744 -2.264 1.976) 14.069 9.650 ( 17.395 3.531 -0.106) 17.750 9.698 ( 12.631 -2.017 -0.844) 12.818 9.963 ( 15.162 5.529 1.501) 16.209 10.138 ( 9.615 11.061 0.293) 14.659 10.384 ( 10.104 9.195 5.228) 14.628 10.741 ( 14.804 -14.624 -0.227) 20.810 10.811 ( -5.012 -2.285 1.022) 5.603 10.968 ( 10.386 0.780 -1.319) 10.498 11.230 ( 14.176 -11.093 -1.433) 18.057 11.448 ( -1.348 9.984 0.208) 10.077 11.862 ( -0.737 8.475 -0.356) 8.514 11.881 ( -2.552 -1.734 0.890) 3.212 11.939 ( -5.682 -0.241 -0.215) 5.691 12.548 ( 1.178 -6.550 7.172) 9.784 13.350 ( -7.801 4.131 -4.396) 9.861 14.124 ( -14.351 -6.605 -0.164) 15.799 14.246 ( 2.167 -14.467 0.804) 14.651 14.361 ( -25.388 -2.486 -0.324) 25.511 15.298 ( -9.308 4.031 -2.958) 10.566 15.614 ( -2.673 9.826 -2.531) 10.493 15.716 ( 0.834 6.923 0.587) 6.997 15.996 ( 3.988 -4.202 0.561) 5.820 16.086 ( 4.103 -9.411 -0.598) 10.284 16.471 ( 5.102 4.907 -0.114) 7.079 16.824 ( -8.962 2.060 -2.965) 9.662 17.149 ( -6.883 7.600 5.427) 11.601 17.331 ( -10.917 -0.440 -4.572) 11.844 17.520 ( -9.695 -0.478 4.011) 10.503 17.668 ( -20.407 -1.597 -4.330) 20.922 18.422 ( 12.124 -6.987 7.483) 15.868 19.125 ( 3.235 3.952 -3.984) 6.478 ======================= Grid point 56 (48/84) ======================= q-point: (-0.13 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 11.922 19.881 -0.170) 23.182 1.109 ( 10.892 -15.386 0.426) 18.856 1.368 ( 6.540 2.869 -9.811) 12.135 1.471 ( -13.842 14.419 0.260) 19.989 1.690 ( -0.155 -2.119 -1.196) 2.438 1.768 ( 0.646 -2.251 3.531) 4.237 1.868 ( -13.150 -17.043 -0.709) 21.538 1.920 ( -3.101 2.354 6.745) 7.788 2.849 ( 8.974 11.429 -0.565) 14.542 2.988 ( 4.004 -1.416 -1.447) 4.487 3.249 ( 1.039 1.115 -0.301) 1.554 3.325 ( 0.551 -3.772 0.147) 3.815 3.646 ( 6.808 3.841 -1.716) 8.003 3.785 ( 4.949 -0.704 1.272) 5.158 3.881 ( 14.727 16.688 -0.109) 22.257 4.163 ( -1.894 -10.884 -1.252) 11.118 4.783 ( -12.341 -5.405 -4.785) 14.298 4.984 ( -11.572 0.549 4.794) 12.538 5.122 ( 18.375 -0.773 -2.096) 18.510 5.236 ( 18.208 0.708 2.823) 18.440 6.055 ( -4.714 -5.942 -3.183) 8.226 6.096 ( 6.445 10.505 4.177) 13.013 6.985 ( -8.018 5.334 1.514) 9.749 7.044 ( -2.740 3.583 -2.405) 5.111 7.111 ( -8.632 1.939 -3.372) 9.468 7.715 ( -13.566 -18.859 6.500) 24.124 9.000 ( 2.386 3.033 -3.192) 5.008 9.049 ( 4.653 8.251 1.333) 9.566 9.772 ( 7.271 4.098 0.387) 8.355 9.792 ( 3.929 2.130 -1.196) 4.626 9.987 ( 12.844 -0.011 -1.027) 12.885 10.162 ( 11.638 -4.851 0.078) 12.609 10.207 ( 17.510 -4.558 1.505) 18.156 10.294 ( -4.451 -17.862 1.495) 18.469 10.889 ( 1.360 0.121 -3.641) 3.889 11.044 ( 5.031 3.776 2.807) 6.888 11.178 ( 3.323 6.672 -2.547) 7.877 11.418 ( -1.179 -3.860 2.425) 4.709 11.651 ( 1.497 2.486 -0.496) 2.944 11.765 ( 7.522 -4.350 0.890) 8.734 11.821 ( 14.562 8.838 -1.222) 17.078 12.029 ( 3.070 -1.797 1.516) 3.867 12.687 ( -11.169 -8.042 -4.193) 14.388 12.788 ( -12.021 1.658 3.656) 12.674 13.873 ( -20.360 7.759 0.502) 21.794 13.916 ( -22.908 1.529 -0.464) 22.964 14.766 ( 5.634 12.970 1.788) 14.253 14.889 ( -1.286 -7.760 -1.801) 8.069 15.385 ( -0.339 0.924 -1.709) 1.972 15.540 ( -3.104 -8.338 0.813) 8.934 16.222 ( 4.796 4.749 -1.063) 6.833 16.392 ( 7.128 1.178 2.618) 7.685 16.443 ( 1.351 -1.003 -0.025) 1.683 16.507 ( -5.700 -3.554 0.617) 6.746 16.975 ( -0.498 1.894 -6.295) 6.592 17.181 ( -5.875 1.313 -0.165) 6.022 17.253 ( -7.561 2.151 -0.347) 7.869 17.488 ( -11.776 -1.020 3.775) 12.408 18.831 ( 0.858 -5.151 -4.571) 6.940 19.045 ( 3.709 -0.292 6.207) 7.237 ======================= Grid point 57 (49/84) ======================= q-point: ( 0.38 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( 3.890 -0.000 0.297) 3.901 0.319 ( -4.376 0.000 -0.368) 4.391 1.413 ( -4.753 0.000 7.130) 8.569 1.735 ( 3.443 0.000 1.607) 3.800 1.758 ( 0.523 -0.000 -4.570) 4.600 1.891 ( -2.856 -0.000 -6.358) 6.970 2.162 ( -7.135 0.000 3.378) 7.894 2.260 ( 8.516 -0.000 -1.198) 8.600 2.522 ( 3.904 0.000 1.776) 4.289 2.589 ( -6.346 0.000 -0.865) 6.404 3.382 ( -0.389 0.000 1.363) 1.417 3.447 ( -0.479 -0.000 -1.093) 1.193 3.674 ( 1.487 0.000 1.483) 2.101 3.729 ( -8.407 0.000 -0.513) 8.422 3.952 ( 12.350 -0.000 0.385) 12.356 3.969 ( -8.868 0.000 -0.383) 8.876 4.862 ( 4.800 0.000 3.926) 6.201 5.083 ( -4.360 -0.000 -3.889) 5.842 5.162 ( 3.219 0.000 3.442) 4.713 5.352 ( -2.744 -0.000 -3.316) 4.305 5.925 ( 22.271 -0.000 3.362) 22.523 6.131 ( -23.418 0.000 -4.223) 23.796 6.610 ( -13.876 0.000 0.915) 13.906 6.656 ( 15.445 -0.000 -0.827) 15.467 7.687 ( -9.123 0.000 4.067) 9.989 7.966 ( 9.837 -0.000 -6.867) 11.997 8.706 ( 4.076 0.000 3.944) 5.672 8.842 ( -5.109 -0.000 -1.666) 5.373 9.746 ( 2.136 0.000 0.479) 2.189 9.775 ( -0.757 -0.000 -0.604) 0.969 10.366 ( -7.839 0.000 2.462) 8.216 10.540 ( 7.339 -0.000 -4.763) 8.749 10.590 ( -0.840 0.000 3.300) 3.406 10.739 ( 5.656 -0.000 -1.912) 5.970 10.819 ( 9.464 0.000 2.742) 9.854 10.907 ( -6.565 0.000 -0.972) 6.636 11.145 ( 14.144 -0.000 -0.041) 14.144 11.148 ( -14.472 0.000 -0.156) 14.472 11.650 ( -4.059 0.000 0.757) 4.129 11.686 ( 2.292 -0.000 -0.569) 2.362 11.944 ( -5.496 0.000 1.487) 5.693 12.035 ( 6.243 -0.000 -1.834) 6.507 12.951 ( -15.485 0.000 0.980) 15.516 13.013 ( 8.141 -0.000 -1.354) 8.253 13.208 ( 23.776 -0.000 2.206) 23.878 13.317 ( -19.124 0.000 -1.876) 19.216 14.724 ( 15.215 -0.000 0.569) 15.226 14.761 ( -16.700 0.000 -0.804) 16.719 15.641 ( -7.114 0.000 2.979) 7.712 15.797 ( 3.860 -0.000 -2.834) 4.788 16.277 ( -9.063 0.000 0.345) 9.069 16.293 ( 10.610 -0.000 -0.338) 10.615 16.422 ( 13.826 -0.000 1.842) 13.948 16.556 ( -17.391 -0.000 -3.937) 17.831 16.902 ( -2.404 0.000 5.299) 5.819 17.094 ( -2.931 -0.000 -2.342) 3.752 17.208 ( 0.309 0.000 0.093) 0.323 17.233 ( 4.617 -0.000 -0.636) 4.660 18.847 ( 8.104 0.000 6.189) 10.197 19.191 ( -2.197 -0.000 -6.471) 6.834 ======================= Grid point 62 (50/84) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 -16.551 -6.922) 17.940 0.979 ( -0.000 -20.940 -5.754) 21.716 1.469 ( -0.000 -4.485 -0.428) 4.506 1.523 ( 0.000 1.494 12.665) 12.753 1.605 ( -0.000 -6.050 9.621) 11.365 1.659 ( -0.000 -2.111 -26.194) 26.279 1.896 ( -0.000 -3.051 -2.077) 3.691 1.927 ( 0.000 11.407 -1.972) 11.576 2.256 ( -0.000 -37.756 -2.263) 37.824 2.273 ( 0.000 9.921 -0.737) 9.949 2.587 ( -0.000 -8.882 1.941) 9.091 2.689 ( -0.000 -5.742 -2.716) 6.352 3.065 ( 0.000 14.503 3.346) 14.884 3.105 ( 0.000 1.404 -2.541) 2.903 3.143 ( 0.000 3.573 2.321) 4.261 3.637 ( 0.000 4.806 2.098) 5.244 4.140 ( 0.000 14.484 4.484) 15.162 4.703 ( -0.000 -23.702 6.036) 24.458 4.816 ( 0.000 18.560 -3.612) 18.909 5.841 ( -0.000 -9.509 0.628) 9.530 6.743 ( 0.000 32.403 -3.148) 32.556 6.963 ( 0.000 12.868 -0.376) 12.873 7.564 ( -0.000 -2.359 4.128) 4.754 7.612 ( 0.000 3.349 -8.092) 8.758 7.997 ( -0.000 -16.327 -1.099) 16.364 8.020 ( -0.000 -9.424 -5.571) 10.947 8.096 ( -0.000 -6.309 0.929) 6.377 8.884 ( -0.000 -2.504 4.061) 4.771 8.977 ( 0.000 12.996 3.282) 13.404 9.187 ( 0.000 10.282 0.794) 10.312 9.383 ( -0.000 -5.454 -1.997) 5.808 9.527 ( -0.000 -2.816 0.570) 2.874 9.685 ( 0.000 3.031 2.175) 3.731 9.950 ( 0.000 0.639 0.193) 0.668 9.965 ( 0.000 0.312 -0.210) 0.376 10.352 ( 0.000 3.655 0.570) 3.699 10.511 ( -0.000 -10.832 -0.746) 10.857 11.076 ( -0.000 -5.776 0.016) 5.777 11.366 ( 0.000 1.741 -1.417) 2.245 11.672 ( 0.000 23.781 3.833) 24.088 12.333 ( -0.000 -4.289 -0.082) 4.290 12.443 ( -0.000 -8.200 4.010) 9.128 12.588 ( -0.000 -17.696 6.960) 19.015 13.180 ( 0.000 2.389 0.939) 2.567 13.849 ( -0.000 -25.547 2.348) 25.654 14.743 ( -0.000 -6.743 2.282) 7.119 15.340 ( -0.000 -1.473 -0.711) 1.636 15.341 ( 0.000 8.856 -4.928) 10.135 15.579 ( 0.000 6.457 -1.031) 6.539 15.773 ( 0.000 8.392 1.198) 8.477 15.974 ( -0.000 -5.015 -1.602) 5.265 16.068 ( -0.000 -2.202 2.841) 3.594 16.211 ( -0.000 -12.570 3.208) 12.973 17.386 ( 0.000 16.433 -1.230) 16.479 17.508 ( -0.000 -2.755 1.304) 3.048 17.777 ( 0.000 10.337 -0.122) 10.338 18.096 ( -0.000 -13.560 2.034) 13.712 18.168 ( 0.000 0.584 3.738) 3.783 18.172 ( -0.000 1.746 -13.941) 14.050 18.737 ( 0.000 4.680 -7.045) 8.458 ======================= Grid point 63 (51/84) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 7.997 12.643 0.000) 14.960 0.934 ( -12.320 14.221 0.000) 18.815 1.259 ( -19.885 -14.572 -0.000) 24.653 1.553 ( 3.090 0.944 0.000) 3.231 1.716 ( -0.133 -5.930 -0.000) 5.932 1.829 ( 19.398 20.880 0.000) 28.500 2.111 ( 14.933 -12.027 -0.000) 19.174 2.293 ( -3.281 7.633 0.000) 8.308 2.388 ( 18.567 16.706 0.000) 24.977 2.607 ( 6.104 7.043 0.000) 9.320 2.704 ( -8.107 -2.471 -0.000) 8.475 3.019 ( 25.070 -19.628 -0.000) 31.839 3.102 ( 5.435 3.027 0.000) 6.221 3.169 ( 3.074 -0.396 -0.000) 3.099 3.387 ( 1.386 1.333 0.000) 1.923 3.579 ( 3.306 26.643 0.000) 26.847 3.637 ( 3.251 14.630 0.000) 14.987 4.128 ( 1.262 -36.980 -0.000) 37.002 5.474 ( 2.982 29.284 0.000) 29.435 5.650 ( -3.539 -16.951 -0.000) 17.316 6.302 ( -5.695 -0.888 0.000) 5.763 6.523 ( -10.851 -12.806 -0.000) 16.785 7.406 ( 0.472 4.355 0.000) 4.381 7.731 ( -17.266 14.572 0.000) 22.593 7.782 ( -2.056 -5.536 -0.000) 5.906 8.297 ( -8.835 -6.012 -0.000) 10.687 8.397 ( 14.746 9.338 0.000) 17.454 8.591 ( -3.219 3.382 0.000) 4.670 9.045 ( 4.784 -4.633 -0.000) 6.660 9.332 ( 15.796 -4.407 -0.000) 16.399 9.367 ( -1.352 3.208 0.000) 3.481 9.603 ( -5.745 -10.648 -0.000) 12.099 9.720 ( 8.822 0.533 -0.000) 8.838 9.864 ( 8.558 -6.824 -0.000) 10.946 10.294 ( 17.255 11.274 0.000) 20.611 10.568 ( 21.158 -13.139 -0.000) 24.906 10.786 ( 1.895 16.009 0.000) 16.121 11.182 ( -2.473 6.336 0.000) 6.802 11.222 ( -2.517 -16.810 -0.000) 16.998 11.331 ( 3.906 -9.977 -0.000) 10.714 12.278 ( -10.538 2.240 0.000) 10.774 12.550 ( -15.762 -4.696 -0.000) 16.447 12.873 ( 5.564 -5.935 -0.000) 8.135 13.219 ( 9.267 0.786 -0.000) 9.301 14.681 ( -8.391 23.834 0.000) 25.268 14.785 ( -6.832 -17.154 -0.000) 18.464 15.056 ( -2.622 15.442 0.000) 15.663 15.097 ( 2.182 -13.319 -0.000) 13.497 15.481 ( -1.275 5.590 0.000) 5.734 15.661 ( 1.535 -8.170 -0.000) 8.313 15.873 ( -1.137 5.463 0.000) 5.580 16.181 ( 2.494 0.227 -0.000) 2.505 16.626 ( -11.633 18.141 0.000) 21.550 16.832 ( -1.946 -14.163 -0.000) 14.296 17.288 ( -7.829 -9.821 -0.000) 12.559 17.678 ( -3.527 -3.839 -0.000) 5.213 17.776 ( -6.940 7.038 0.000) 9.884 18.304 ( -7.802 6.264 0.000) 10.005 18.523 ( 4.812 -8.072 -0.000) 9.397 18.820 ( 3.833 3.239 0.000) 5.018 ======================= Grid point 64 (52/84) ======================= q-point: (-0.35 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 11.334 -0.000 -1.846) 11.483 1.269 ( 3.912 -0.000 -3.628) 5.335 1.483 ( -11.396 -0.000 -2.707) 11.713 1.506 ( 1.414 0.000 1.869) 2.344 1.555 ( -0.565 0.000 4.965) 4.997 1.690 ( 4.217 -0.000 -15.904) 16.453 1.698 ( -8.544 0.000 5.413) 10.115 1.829 ( 2.002 -0.000 -0.886) 2.189 2.259 ( 20.444 -0.000 -3.048) 20.670 2.870 ( -0.536 0.000 1.989) 2.060 2.895 ( 1.710 -0.000 -3.629) 4.012 3.142 ( 7.882 -0.000 0.295) 7.888 3.165 ( 5.406 -0.000 -1.343) 5.570 3.258 ( 48.875 -0.000 0.994) 48.886 3.768 ( 3.227 0.000 1.085) 3.405 3.860 ( -8.825 0.000 0.531) 8.841 4.017 ( 30.399 -0.000 -0.201) 30.399 4.673 ( 12.159 0.000 5.868) 13.500 4.864 ( -7.044 -0.000 -1.855) 7.284 5.670 ( -5.725 -0.000 -3.949) 6.955 6.149 ( -30.187 0.000 4.110) 30.465 6.687 ( -16.760 0.000 -1.221) 16.805 7.207 ( -15.097 -0.000 -7.961) 17.067 7.552 ( 2.041 -0.000 -6.877) 7.173 7.964 ( -24.096 0.000 2.466) 24.222 8.245 ( 10.990 0.000 2.424) 11.254 8.278 ( 5.779 -0.000 0.530) 5.804 8.484 ( 14.917 -0.000 -3.085) 15.233 9.287 ( 13.797 -0.000 -1.092) 13.840 9.390 ( -5.087 0.000 6.866) 8.545 9.561 ( 6.603 -0.000 0.995) 6.678 9.699 ( 17.985 -0.000 0.912) 18.008 10.132 ( 14.919 -0.000 -0.131) 14.920 10.191 ( 13.344 -0.000 0.137) 13.345 10.290 ( 19.795 0.000 5.796) 20.626 10.596 ( 14.822 -0.000 -0.738) 14.841 10.938 ( -6.772 0.000 0.136) 6.774 11.010 ( -0.185 -0.000 -1.574) 1.585 11.586 ( 5.247 -0.000 0.036) 5.247 12.010 ( -7.648 0.000 -0.716) 7.681 12.022 ( -6.810 0.000 6.671) 9.533 12.156 ( -7.000 0.000 0.050) 7.000 12.483 ( 11.099 0.000 13.226) 17.266 13.328 ( 1.614 -0.000 -4.177) 4.478 13.808 ( 11.009 -0.000 0.065) 11.009 14.472 ( -13.890 0.000 0.233) 13.892 14.805 ( -21.535 0.000 -1.106) 21.564 15.421 ( -5.741 -0.000 -3.688) 6.824 15.719 ( 2.405 0.000 0.504) 2.457 15.769 ( 4.075 -0.000 0.204) 4.080 15.798 ( -9.850 -0.000 -8.633) 13.098 16.005 ( 0.017 0.000 0.938) 0.938 16.336 ( 10.743 -0.000 0.781) 10.771 17.099 ( -13.451 0.000 1.838) 13.576 17.496 ( -15.123 -0.000 -4.064) 15.659 17.530 ( -10.850 0.000 -1.201) 10.916 17.743 ( -8.331 0.000 2.502) 8.698 17.840 ( -11.724 -0.000 -8.279) 14.352 18.353 ( 12.064 0.000 15.740) 19.832 18.978 ( 5.596 -0.000 -5.451) 7.812 ======================= Grid point 65 (53/84) ======================= q-point: ( 0.15 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -4.384 -4.995 -0.000) 6.646 0.870 ( 9.416 17.245 0.000) 19.648 1.188 ( 9.054 7.405 0.000) 11.697 1.625 ( 0.265 -3.134 -0.000) 3.145 1.715 ( 3.804 -0.258 -0.000) 3.813 1.817 ( -17.623 -16.951 -0.000) 24.453 2.123 ( -11.069 11.586 0.000) 16.023 2.211 ( -6.642 4.622 0.000) 8.091 2.576 ( 10.422 -11.280 -0.000) 15.357 2.876 ( 10.165 9.584 0.000) 13.971 3.219 ( 2.060 -0.865 -0.000) 2.234 3.316 ( 1.616 0.682 0.000) 1.755 3.561 ( 9.375 -14.121 -0.000) 16.950 3.626 ( 10.469 -8.414 -0.000) 13.431 3.650 ( 1.942 -1.016 -0.000) 2.192 4.118 ( 13.130 23.780 0.000) 27.164 4.346 ( 37.100 -5.500 -0.000) 37.505 4.730 ( 24.960 4.494 -0.000) 25.361 5.095 ( -12.615 -4.210 -0.000) 13.299 5.519 ( -19.159 3.627 0.000) 19.499 5.740 ( -3.059 -17.659 -0.000) 17.922 6.313 ( -2.056 9.895 0.000) 10.107 7.205 ( -18.689 6.329 0.000) 19.732 7.284 ( -8.436 5.138 0.000) 9.878 7.637 ( -8.108 17.119 0.000) 18.942 7.655 ( -9.686 -16.266 -0.000) 18.932 8.788 ( 6.129 -9.044 -0.000) 10.925 9.083 ( 5.489 0.756 -0.000) 5.541 9.442 ( 18.372 -3.304 -0.000) 18.666 9.580 ( 19.105 2.350 -0.000) 19.249 9.811 ( 11.918 -5.317 -0.000) 13.050 9.815 ( 12.560 6.711 0.000) 14.241 10.040 ( 3.962 -5.321 -0.000) 6.634 10.129 ( 6.121 9.336 0.000) 11.163 10.825 ( -1.794 -0.478 -0.000) 1.856 10.955 ( 10.465 -3.175 -0.000) 10.936 11.070 ( 11.057 -10.998 -0.000) 15.595 11.232 ( 4.650 10.814 0.000) 11.772 11.485 ( 14.345 -11.843 -0.000) 18.602 11.636 ( 14.013 12.245 0.000) 18.609 11.854 ( -6.536 2.046 0.000) 6.849 11.984 ( -10.110 -2.469 -0.000) 10.407 12.645 ( -7.549 -9.903 -0.000) 12.452 13.288 ( -10.951 7.049 0.000) 13.024 14.278 ( -15.743 -7.251 -0.000) 17.333 14.378 ( -21.287 2.008 0.000) 21.382 14.577 ( -1.080 -18.042 -0.000) 18.075 15.146 ( -7.551 14.741 0.000) 16.563 15.523 ( -2.916 0.779 0.000) 3.019 15.526 ( -1.468 9.696 0.000) 9.806 16.094 ( 5.552 -5.234 -0.000) 7.630 16.302 ( 0.158 -10.718 -0.000) 10.720 16.347 ( 4.493 5.801 0.000) 7.338 16.785 ( -4.970 14.925 0.000) 15.731 16.913 ( -4.028 -1.705 -0.000) 4.374 17.402 ( -8.168 1.854 0.000) 8.376 17.434 ( -10.904 0.334 0.000) 10.909 17.766 ( -17.705 -2.798 0.000) 17.925 18.541 ( 6.797 -10.416 -0.000) 12.437 19.083 ( 3.612 4.196 0.000) 5.536 ======================= Grid point 67 (54/84) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -17.387 -20.548 -0.000) 26.917 0.591 ( 16.431 -20.735 -0.000) 26.456 1.348 ( -6.072 -1.497 -0.000) 6.254 1.680 ( 3.529 2.746 0.000) 4.472 1.838 ( 3.694 -2.602 -0.000) 4.518 1.885 ( -1.385 17.003 0.000) 17.059 1.968 ( 2.117 20.352 0.000) 20.461 1.981 ( -7.283 1.338 0.000) 7.405 2.717 ( 7.765 -11.906 -0.000) 14.214 2.783 ( -7.618 -13.713 -0.000) 15.687 3.341 ( -0.849 2.527 0.000) 2.666 3.420 ( -0.214 3.888 0.000) 3.894 3.695 ( -2.627 -3.236 -0.000) 4.168 3.790 ( -1.883 -4.066 -0.000) 4.481 3.987 ( 12.805 -3.579 -0.000) 13.295 4.012 ( -13.139 -4.327 -0.000) 13.833 4.681 ( 5.277 9.221 0.000) 10.624 5.020 ( -5.616 8.389 0.000) 10.095 5.219 ( 2.606 -6.941 -0.000) 7.414 5.449 ( -0.911 -3.251 -0.000) 3.376 5.907 ( 15.569 -1.553 -0.000) 15.646 6.214 ( -12.227 -1.053 0.000) 12.272 6.652 ( -6.381 -5.750 -0.000) 8.589 6.744 ( 3.487 -9.484 -0.000) 10.105 7.484 ( -10.066 13.806 0.000) 17.085 7.879 ( 11.819 15.275 0.000) 19.313 8.778 ( 3.286 -10.078 -0.000) 10.600 8.978 ( -4.958 -9.427 -0.000) 10.651 9.754 ( 1.307 -1.465 -0.000) 1.963 9.792 ( -0.600 -1.402 -0.000) 1.525 10.286 ( -7.494 5.872 0.000) 9.521 10.442 ( 0.851 7.616 0.000) 7.664 10.505 ( 13.853 15.896 0.000) 21.085 10.555 ( 0.511 7.238 0.000) 7.256 10.780 ( 3.189 -2.907 -0.000) 4.315 11.010 ( -3.280 -6.741 -0.000) 7.496 11.168 ( -8.959 -0.065 0.000) 8.959 11.325 ( 10.597 -7.811 -0.000) 13.165 11.674 ( -7.151 -3.582 -0.000) 7.998 11.710 ( 5.665 -4.034 -0.000) 6.954 11.944 ( -3.241 -1.527 -0.000) 3.582 12.064 ( 3.702 -0.701 -0.000) 3.767 12.742 ( -1.894 12.179 0.000) 12.325 12.885 ( -2.540 10.184 0.000) 10.496 13.394 ( 9.754 -13.077 -0.000) 16.314 13.492 ( -8.699 -10.625 -0.000) 13.732 14.751 ( 12.364 -2.993 -0.000) 12.721 14.824 ( -14.612 -4.665 -0.000) 15.339 15.531 ( -7.122 6.672 0.000) 9.759 15.686 ( 4.164 11.312 0.000) 12.054 16.256 ( -4.236 0.038 0.000) 4.236 16.332 ( 7.721 -2.756 -0.000) 8.198 16.433 ( 8.723 -0.633 -0.000) 8.746 16.641 ( -17.366 -1.217 0.000) 17.409 16.844 ( 0.472 -1.957 -0.000) 2.013 17.118 ( -5.867 0.144 0.000) 5.868 17.207 ( 0.870 0.963 0.000) 1.298 17.281 ( 6.621 -4.723 -0.000) 8.133 18.769 ( 7.459 0.709 -0.000) 7.492 19.222 ( -0.861 3.693 0.000) 3.792 ======================= Grid point 68 (55/84) ======================= q-point: ( 0.65 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -11.675 19.578 0.400) 22.798 1.104 ( -10.932 -15.767 -0.062) 19.187 1.464 ( 13.338 13.608 -0.386) 19.059 1.597 ( -0.536 -0.492 4.110) 4.173 1.626 ( -1.176 1.140 -1.366) 2.133 1.756 ( -0.401 -0.823 -3.517) 3.635 1.787 ( -0.535 -0.699 1.520) 1.757 1.883 ( 13.781 -17.052 0.850) 21.941 2.849 ( -9.400 12.356 -0.798) 15.546 3.016 ( -2.996 -1.845 0.847) 3.619 3.256 ( -1.587 0.451 0.296) 1.676 3.323 ( -0.271 -3.947 0.013) 3.956 3.688 ( -5.642 2.976 1.891) 6.653 3.751 ( -5.062 -0.433 -1.700) 5.357 3.881 ( -13.481 15.182 -0.161) 20.304 4.192 ( 1.409 -11.484 1.299) 11.643 4.855 ( 11.474 0.384 -6.651) 13.268 4.913 ( 12.173 -5.196 6.710) 14.839 5.163 ( -18.897 1.133 -3.369) 19.228 5.181 ( -17.763 -0.786 3.061) 18.042 5.981 ( -6.943 12.207 -6.018) 15.278 6.138 ( 4.501 -4.582 4.123) 7.632 6.947 ( 9.420 3.794 -1.918) 10.335 7.112 ( 2.196 0.890 3.697) 4.392 7.215 ( 8.519 3.554 6.229) 11.136 7.565 ( 13.092 -18.123 -6.692) 23.337 8.994 ( -5.044 8.972 -2.818) 10.671 9.083 ( -1.747 1.348 3.219) 3.903 9.761 ( -7.782 4.664 -0.614) 9.093 9.819 ( -4.395 2.002 1.125) 4.959 10.014 ( -10.022 0.610 1.353) 10.131 10.152 ( -14.822 -6.162 -1.490) 16.121 10.179 ( -14.154 -3.974 -0.260) 14.703 10.255 ( 1.434 -14.331 -2.030) 14.545 10.952 ( -3.679 4.078 -2.853) 6.189 10.991 ( -3.208 -0.077 2.648) 4.160 11.243 ( -6.060 7.836 3.140) 10.392 11.351 ( 2.548 -3.934 -3.535) 5.870 11.665 ( -2.112 2.410 0.810) 3.305 11.746 ( -5.629 -4.675 -0.837) 7.365 11.857 ( -12.770 8.811 2.095) 15.655 11.993 ( -4.411 -2.459 -1.646) 5.311 12.679 ( 8.202 1.758 -5.375) 9.962 12.808 ( 14.738 -8.948 5.829) 18.200 13.859 ( 21.102 8.164 -0.760) 22.639 13.927 ( 22.017 1.549 0.507) 22.077 14.723 ( -6.687 12.001 -1.930) 13.874 14.940 ( 2.594 -8.352 2.848) 9.198 15.426 ( 1.055 -0.391 1.910) 2.217 15.516 ( 3.425 -8.431 -1.286) 9.190 16.249 ( -5.271 5.774 1.206) 7.910 16.331 ( -6.296 2.908 -2.582) 7.400 16.420 ( 2.208 -0.951 -1.717) 2.954 16.539 ( 1.814 -6.995 3.301) 7.945 17.106 ( 2.075 2.054 3.797) 4.789 17.139 ( 0.600 -1.249 -2.802) 3.126 17.306 ( 12.342 5.218 4.123) 14.019 17.390 ( 11.539 -2.457 -4.598) 12.662 18.882 ( -5.109 2.422 -8.198) 9.958 18.956 ( -1.427 -4.572 6.558) 8.121 ======================= Grid point 69 (56/84) ======================= q-point: ( 0.15 -0.15 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -15.457 0.000 0.000) 15.457 0.988 ( 22.765 -0.000 -0.000) 22.765 1.033 ( 20.421 -0.000 -0.000) 20.421 1.630 ( -15.091 0.000 0.000) 15.091 1.710 ( -5.904 0.000 0.000) 5.904 1.879 ( 3.155 -0.000 -0.000) 3.155 1.905 ( -17.060 0.000 0.000) 17.060 1.913 ( 2.445 -0.000 -0.000) 2.445 2.637 ( -19.038 0.000 0.000) 19.038 2.775 ( -4.667 0.000 0.000) 4.667 2.840 ( 7.783 -0.000 -0.000) 7.783 3.238 ( -6.103 0.000 0.000) 6.103 3.282 ( -7.424 0.000 0.000) 7.424 3.418 ( -3.629 0.000 0.000) 3.629 3.878 ( -4.599 0.000 0.000) 4.599 4.535 ( -41.058 0.000 0.000) 41.058 4.569 ( 12.709 -0.000 -0.000) 12.709 4.571 ( -26.713 0.000 0.000) 26.713 5.167 ( -20.843 0.000 0.000) 20.843 5.329 ( 13.340 -0.000 -0.000) 13.340 5.700 ( 27.370 -0.000 -0.000) 27.370 6.450 ( 6.609 -0.000 -0.000) 6.609 6.664 ( 18.456 -0.000 -0.000) 18.456 7.443 ( -3.286 0.000 0.000) 3.286 7.511 ( 24.895 -0.000 -0.000) 24.895 8.503 ( 3.532 -0.000 -0.000) 3.532 8.528 ( -10.613 0.000 0.000) 10.613 8.532 ( -10.022 0.000 0.000) 10.022 9.581 ( -3.517 0.000 0.000) 3.517 9.630 ( -22.035 0.000 0.000) 22.035 9.695 ( -4.137 0.000 0.000) 4.137 10.127 ( -20.522 0.000 0.000) 20.522 10.339 ( -8.566 0.000 0.000) 8.566 10.506 ( -16.537 0.000 0.000) 16.537 10.809 ( 4.825 -0.000 -0.000) 4.825 10.852 ( -17.869 0.000 0.000) 17.869 10.917 ( 3.177 -0.000 -0.000) 3.177 11.006 ( -26.163 0.000 0.000) 26.163 11.563 ( 5.162 -0.000 -0.000) 5.162 11.788 ( 9.222 -0.000 -0.000) 9.222 11.984 ( 8.145 -0.000 -0.000) 8.145 12.005 ( 10.562 -0.000 -0.000) 10.562 13.030 ( 5.746 -0.000 -0.000) 5.746 13.037 ( 0.925 -0.000 -0.000) 0.925 14.067 ( 26.384 -0.000 -0.000) 26.384 14.098 ( -15.245 0.000 0.000) 15.245 14.292 ( 26.854 -0.000 -0.000) 26.854 15.181 ( 8.525 -0.000 -0.000) 8.525 15.357 ( -2.343 0.000 0.000) 2.343 15.813 ( -5.886 0.000 0.000) 5.886 15.915 ( -9.463 0.000 0.000) 9.463 16.057 ( -2.167 0.000 0.000) 2.167 16.509 ( -7.210 0.000 0.000) 7.210 16.847 ( 15.621 -0.000 -0.000) 15.621 17.091 ( 12.828 -0.000 -0.000) 12.828 17.263 ( 11.944 -0.000 -0.000) 11.944 17.479 ( 7.625 -0.000 -0.000) 7.625 17.606 ( 10.870 -0.000 -0.000) 10.870 18.917 ( -1.929 0.000 0.000) 1.929 19.149 ( -4.711 0.000 0.000) 4.711 ======================= Grid point 72 (57/84) ======================= q-point: ( 0.42 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 7.233 17.834) 19.245 1.280 ( -0.000 -14.274 0.314) 14.278 1.360 ( -0.000 -7.160 -1.170) 7.255 1.541 ( -0.000 -1.124 3.252) 3.441 1.578 ( -0.000 -4.745 -1.400) 4.947 1.632 ( 0.000 6.342 0.916) 6.408 1.950 ( 0.000 15.622 -0.474) 15.629 2.224 ( 0.000 3.555 -19.910) 20.225 2.268 ( -0.000 -19.553 -1.882) 19.644 2.580 ( 0.000 22.019 2.717) 22.186 2.680 ( -0.000 -2.375 2.680) 3.581 2.834 ( -0.000 -1.559 -2.352) 2.821 3.043 ( -0.000 -0.453 1.319) 1.395 3.116 ( 0.000 1.272 -1.362) 1.864 3.221 ( -0.000 -46.252 -0.208) 46.253 3.496 ( 0.000 1.668 5.915) 6.145 3.782 ( 0.000 8.609 5.896) 10.434 4.340 ( 0.000 35.930 -4.486) 36.209 5.160 ( -0.000 -30.732 4.523) 31.063 5.949 ( 0.000 14.630 -2.644) 14.867 6.342 ( -0.000 -0.582 -0.212) 0.619 6.653 ( 0.000 17.399 -0.324) 17.402 7.469 ( 0.000 0.917 3.922) 4.028 7.724 ( 0.000 0.939 -6.581) 6.648 8.149 ( -0.000 -1.469 2.394) 2.809 8.277 ( -0.000 -4.812 -2.043) 5.227 8.437 ( -0.000 -16.637 -6.655) 17.919 8.563 ( 0.000 19.370 2.703) 19.558 8.860 ( -0.000 -5.741 4.525) 7.310 9.029 ( 0.000 3.579 -0.057) 3.579 9.554 ( -0.000 -1.816 0.033) 1.816 9.574 ( -0.000 -3.346 -0.937) 3.475 9.611 ( -0.000 -4.974 -0.292) 4.982 9.748 ( 0.000 12.151 0.713) 12.172 10.100 ( -0.000 -7.894 0.075) 7.894 10.239 ( 0.000 6.280 0.497) 6.300 10.826 ( -0.000 -18.209 -0.856) 18.230 11.156 ( 0.000 17.371 1.045) 17.402 11.209 ( -0.000 -2.513 0.673) 2.602 11.325 ( 0.000 4.625 -0.521) 4.654 12.462 ( 0.000 -0.071 1.070) 1.073 12.475 ( -0.000 -7.206 -3.033) 7.818 12.736 ( -0.000 -13.198 7.679) 15.270 13.117 ( 0.000 3.759 -0.881) 3.861 14.375 ( -0.000 -29.439 2.332) 29.532 14.847 ( -0.000 -6.333 0.809) 6.384 15.179 ( 0.000 14.380 -2.158) 14.541 15.318 ( 0.000 8.648 -1.109) 8.719 15.517 ( -0.000 -1.746 -0.518) 1.821 15.601 ( 0.000 6.864 0.493) 6.882 16.013 ( 0.000 0.481 3.983) 4.012 16.126 ( -0.000 -4.497 -1.409) 4.713 16.461 ( -0.000 -17.917 1.876) 18.015 17.111 ( 0.000 18.368 -6.983) 19.650 17.466 ( 0.000 8.557 8.819) 12.288 17.586 ( -0.000 -5.633 -0.096) 5.634 18.028 ( 0.000 6.175 2.237) 6.568 18.313 ( -0.000 -11.291 1.794) 11.432 18.398 ( 0.000 1.822 -8.336) 8.533 18.762 ( 0.000 8.399 -8.913) 12.247 ======================= Grid point 74 (58/84) ======================= q-point: (-0.58 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 9.374 14.069 -0.848) 16.927 1.114 ( -18.766 13.589 -0.083) 23.169 1.309 ( 2.977 4.820 10.197) 11.665 1.535 ( 3.979 -4.022 1.437) 5.838 1.679 ( 2.239 0.923 2.677) 3.610 1.771 ( 13.811 -16.237 -3.191) 21.554 1.862 ( -17.784 -13.965 -0.574) 22.620 2.215 ( -1.783 -0.205 -16.144) 16.244 2.615 ( 15.472 -22.991 -2.441) 27.819 2.723 ( -3.023 4.329 1.745) 5.561 2.861 ( 9.522 8.787 -0.675) 12.974 3.172 ( 0.964 -2.468 -0.341) 2.671 3.222 ( 7.083 -2.041 -0.249) 7.376 3.324 ( 47.838 -8.066 0.613) 48.517 3.652 ( 4.303 6.755 1.268) 8.109 3.748 ( -6.347 3.209 4.352) 8.337 3.902 ( 34.280 10.985 0.309) 35.998 4.769 ( -3.404 7.490 -1.393) 8.344 4.797 ( 8.354 -15.172 3.841) 17.741 5.775 ( -7.081 -3.032 -2.853) 8.214 6.058 ( -29.318 1.409 2.698) 29.476 6.605 ( -9.818 11.063 -1.306) 14.849 7.442 ( -12.650 -5.725 -5.229) 14.837 7.595 ( -4.104 5.278 -6.524) 9.341 7.801 ( -16.808 9.086 1.946) 19.206 8.010 ( 0.588 10.764 2.514) 11.069 8.449 ( 9.105 -10.962 1.414) 14.320 8.735 ( 11.841 -14.089 -2.689) 18.600 9.258 ( 0.983 2.146 2.373) 3.347 9.281 ( 10.608 2.486 0.076) 10.896 9.532 ( 8.343 -0.075 0.351) 8.351 9.647 ( 15.483 2.762 1.254) 15.778 9.950 ( 9.743 7.072 0.163) 12.040 10.108 ( 15.869 5.306 4.382) 17.297 10.443 ( 16.696 -13.757 -0.361) 21.636 10.680 ( 11.863 -6.839 -0.532) 13.704 10.918 ( -2.925 2.323 0.102) 3.737 11.107 ( 2.136 -5.848 -1.401) 6.381 11.458 ( 1.965 11.521 0.140) 11.688 11.657 ( 11.310 17.464 3.011) 21.023 12.042 ( -9.084 -2.060 2.194) 9.570 12.106 ( -8.820 -2.478 -1.532) 9.289 12.567 ( -1.082 -16.494 7.483) 18.144 13.382 ( 3.841 1.803 -2.849) 5.111 13.990 ( 8.617 -16.559 0.455) 18.672 14.546 ( -12.463 -7.607 0.375) 14.606 14.831 ( -20.968 0.156 -0.684) 20.980 15.445 ( -5.150 5.836 -3.333) 8.467 15.643 ( 1.019 7.095 -1.219) 7.271 15.708 ( -1.723 2.389 0.990) 3.107 15.966 ( 0.492 -0.294 0.044) 0.574 16.059 ( -1.683 -9.958 -1.150) 10.164 16.289 ( 11.270 2.369 0.779) 11.543 17.042 ( -11.466 3.550 -0.240) 12.005 17.352 ( -12.935 12.590 1.417) 18.106 17.544 ( -8.031 3.848 -2.495) 9.248 17.731 ( -12.415 -1.788 3.268) 12.962 18.040 ( -14.719 -1.835 -6.190) 16.073 18.213 ( 6.629 -9.600 5.420) 12.864 19.041 ( 4.928 4.172 -4.352) 7.787 ======================= Grid point 76 (59/84) ======================= q-point: (-0.58 -0.18 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -19.915 0.000 0.229) 19.916 0.636 ( -21.376 0.000 -0.499) 21.382 1.454 ( 0.489 0.000 4.783) 4.808 1.667 ( 3.356 0.000 3.171) 4.617 1.740 ( 1.101 -0.000 -1.822) 2.128 1.905 ( 2.976 -0.000 -8.900) 9.384 2.008 ( 14.603 -0.000 -0.839) 14.627 2.182 ( 2.842 0.000 1.123) 3.056 2.561 ( -6.636 0.000 1.499) 6.803 2.756 ( -8.404 -0.000 -1.739) 8.582 3.322 ( 23.219 -0.000 -1.358) 23.258 3.349 ( 3.064 0.000 1.326) 3.339 3.431 ( 5.027 -0.000 -0.322) 5.037 3.676 ( 4.599 -0.000 -1.002) 4.707 3.892 ( 1.547 0.000 0.767) 1.727 4.331 ( -19.588 0.000 -0.291) 19.590 4.892 ( 21.198 -0.000 3.832) 21.542 4.978 ( -16.579 0.000 3.704) 16.988 5.192 ( 18.055 -0.000 -2.355) 18.208 5.327 ( -14.974 -0.000 -4.815) 15.730 5.408 ( 28.682 -0.000 3.607) 28.908 6.435 ( 5.999 -0.000 -0.205) 6.003 6.586 ( -22.401 -0.000 -5.373) 23.036 6.959 ( -20.588 0.000 1.471) 20.641 7.817 ( 5.342 -0.000 -5.744) 7.844 7.924 ( -13.868 0.000 3.466) 14.295 8.586 ( 7.630 0.000 3.114) 8.241 8.889 ( 0.876 -0.000 -1.657) 1.874 9.631 ( 10.022 -0.000 0.923) 10.065 9.752 ( 2.784 -0.000 -0.063) 2.785 10.203 ( 23.048 -0.000 -2.635) 23.198 10.316 ( 11.027 0.000 2.230) 11.250 10.580 ( 10.294 -0.000 -0.854) 10.330 10.611 ( 0.559 0.000 5.441) 5.469 10.711 ( 0.890 0.000 1.797) 2.005 10.806 ( 15.985 -0.000 0.375) 15.990 11.036 ( -2.444 -0.000 -1.441) 2.838 11.407 ( -10.867 0.000 -0.293) 10.871 11.562 ( 22.663 -0.000 0.172) 22.664 11.793 ( -0.599 -0.000 -2.541) 2.611 11.796 ( -9.326 0.000 0.157) 9.327 11.880 ( 5.882 0.000 1.161) 5.996 12.788 ( 17.358 0.000 4.330) 17.890 13.164 ( -14.306 -0.000 -3.691) 14.774 13.472 ( -31.137 0.000 0.023) 31.137 13.784 ( -26.513 0.000 -0.821) 26.525 14.400 ( 16.783 -0.000 0.150) 16.784 15.073 ( -14.249 0.000 -1.451) 14.322 15.743 ( 0.722 -0.000 -3.942) 4.007 15.770 ( -5.132 0.000 1.678) 5.399 16.096 ( 9.824 -0.000 -0.270) 9.827 16.137 ( 12.678 -0.000 1.371) 12.752 16.464 ( -8.858 0.000 1.321) 8.956 16.740 ( -1.850 -0.000 -4.968) 5.301 17.090 ( -11.292 0.000 6.158) 12.862 17.144 ( -4.213 -0.000 -4.053) 5.846 17.264 ( -11.697 -0.000 -2.686) 12.002 17.320 ( -9.064 0.000 1.797) 9.240 18.634 ( 12.980 0.000 8.128) 15.315 19.206 ( 0.671 -0.000 -4.595) 4.644 ======================= Grid point 82 (60/84) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.000 13.924 0.000) 13.924 1.132 ( 0.000 21.113 0.000) 21.113 1.473 ( 0.000 11.255 0.000) 11.255 1.517 ( 0.000 0.425 0.000) 0.425 1.685 ( -0.000 -3.977 -0.000) 3.977 1.717 ( -0.000 -6.188 -0.000) 6.188 1.781 ( -0.000 -10.554 -0.000) 10.554 2.094 ( 0.000 17.748 0.000) 17.748 2.332 ( 0.000 8.552 0.000) 8.552 2.651 ( 0.000 0.568 0.000) 0.568 2.747 ( -0.000 -23.152 -0.000) 23.152 2.802 ( 0.000 6.975 0.000) 6.975 3.025 ( -0.000 -0.213 -0.000) 0.213 3.133 ( -0.000 -0.402 -0.000) 0.402 3.375 ( 0.000 1.042 0.000) 1.042 3.562 ( 0.000 42.794 0.000) 42.794 3.610 ( 0.000 1.519 0.000) 1.519 4.116 ( -0.000 -39.277 -0.000) 39.277 5.443 ( 0.000 30.585 0.000) 30.585 5.678 ( -0.000 -21.250 -0.000) 21.250 6.362 ( 0.000 6.968 0.000) 6.968 6.626 ( -0.000 -18.307 -0.000) 18.307 7.408 ( 0.000 0.402 0.000) 0.402 7.837 ( -0.000 -2.902 -0.000) 2.902 8.002 ( 0.000 11.091 0.000) 11.091 8.152 ( 0.000 16.688 0.000) 16.688 8.264 ( 0.000 6.461 0.000) 6.461 8.910 ( -0.000 -19.903 -0.000) 19.903 8.973 ( -0.000 -10.713 -0.000) 10.713 9.006 ( 0.000 1.258 0.000) 1.258 9.496 ( 0.000 10.744 0.000) 10.744 9.557 ( 0.000 0.520 0.000) 0.520 9.632 ( -0.000 -5.558 -0.000) 5.558 9.846 ( -0.000 -10.128 -0.000) 10.128 10.089 ( 0.000 7.707 0.000) 7.707 10.253 ( -0.000 -6.924 -0.000) 6.924 10.770 ( 0.000 16.753 0.000) 16.753 11.211 ( 0.000 6.775 0.000) 6.775 11.262 ( -0.000 -23.690 -0.000) 23.690 11.288 ( -0.000 -2.979 -0.000) 2.979 12.411 ( 0.000 3.851 0.000) 3.851 12.787 ( -0.000 -6.813 -0.000) 6.813 12.807 ( -0.000 -15.599 -0.000) 15.599 13.026 ( 0.000 8.169 0.000) 8.169 14.779 ( 0.000 24.313 0.000) 24.313 14.875 ( -0.000 -21.491 -0.000) 21.491 15.051 ( -0.000 -11.387 -0.000) 11.387 15.078 ( 0.000 14.314 0.000) 14.314 15.479 ( 0.000 4.625 0.000) 4.625 15.630 ( -0.000 -7.533 -0.000) 7.533 15.906 ( 0.000 4.653 0.000) 4.653 16.153 ( 0.000 2.488 0.000) 2.488 16.777 ( 0.000 24.043 0.000) 24.043 16.840 ( -0.000 -21.573 -0.000) 21.573 17.377 ( -0.000 -11.294 -0.000) 11.294 17.708 ( -0.000 -5.723 -0.000) 5.723 17.849 ( 0.000 8.050 0.000) 8.050 18.378 ( 0.000 7.993 0.000) 7.993 18.470 ( -0.000 -6.667 -0.000) 6.667 18.786 ( 0.000 4.051 0.000) 4.051 ======================= Grid point 83 (61/84) ======================= q-point: (-0.30 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 17.985 -0.000 -7.671) 19.552 0.961 ( 20.233 -0.000 -4.340) 20.694 1.415 ( 4.923 0.000 3.547) 6.068 1.560 ( 0.075 0.000 12.996) 12.996 1.645 ( -0.751 -0.000 -27.286) 27.297 1.754 ( 6.324 0.000 7.742) 9.997 1.841 ( -11.660 -0.000 -3.967) 12.316 1.902 ( 3.880 -0.000 -4.005) 5.576 2.084 ( -13.592 0.000 -0.078) 13.592 2.247 ( 36.961 -0.000 -1.420) 36.988 2.743 ( 12.611 -0.000 -2.232) 12.807 2.752 ( 10.625 -0.000 -0.119) 10.626 3.119 ( 0.095 -0.000 -2.308) 2.310 3.125 ( -1.383 0.000 2.215) 2.611 3.476 ( 20.285 -0.000 1.949) 20.378 3.738 ( 1.346 0.000 1.322) 1.887 4.134 ( -14.686 0.000 4.365) 15.321 4.482 ( 6.654 0.000 6.354) 9.201 4.971 ( -3.529 -0.000 -2.367) 4.249 5.728 ( -0.967 0.000 -0.153) 0.979 6.728 ( -26.770 0.000 2.299) 26.868 7.085 ( -22.239 0.000 -1.823) 22.314 7.393 ( -1.046 -0.000 -5.786) 5.880 7.564 ( -4.850 -0.000 -8.478) 9.768 7.933 ( 14.559 0.000 2.732) 14.813 8.101 ( 9.709 -0.000 -0.313) 9.714 8.180 ( 14.915 -0.000 -2.435) 15.113 8.502 ( -24.054 0.000 2.617) 24.196 9.171 ( -2.538 -0.000 -0.945) 2.709 9.367 ( 15.100 -0.000 0.482) 15.108 9.438 ( 5.208 0.000 1.078) 5.318 9.625 ( -17.987 0.000 3.595) 18.343 9.758 ( 20.513 -0.000 -0.214) 20.514 9.905 ( 16.458 0.000 3.913) 16.917 9.982 ( 7.794 -0.000 -0.504) 7.811 10.428 ( 3.729 -0.000 -0.573) 3.772 10.898 ( 18.813 0.000 3.569) 19.148 11.011 ( 0.063 -0.000 -0.360) 0.365 11.405 ( 6.276 -0.000 -0.088) 6.277 12.113 ( -1.081 0.000 3.144) 3.324 12.137 ( -4.278 0.000 8.377) 9.406 12.261 ( -3.402 0.000 -0.044) 3.402 12.320 ( 2.405 0.000 4.138) 4.786 13.249 ( 4.935 -0.000 -0.562) 4.967 13.645 ( 5.227 -0.000 0.050) 5.227 14.638 ( -3.981 0.000 0.952) 4.093 15.158 ( -13.515 0.000 -1.537) 13.602 15.473 ( 1.005 -0.000 -3.841) 3.970 15.651 ( 1.566 -0.000 -0.391) 1.614 15.819 ( -5.430 0.000 1.316) 5.587 15.980 ( -6.319 -0.000 -2.766) 6.898 15.987 ( 1.968 0.000 0.388) 2.006 16.120 ( 8.892 0.000 3.161) 9.437 17.332 ( -9.901 0.000 2.531) 10.220 17.684 ( 0.665 -0.000 -2.694) 2.775 17.774 ( -11.127 -0.000 -2.775) 11.468 17.880 ( -5.415 0.000 2.277) 5.874 17.988 ( -7.963 -0.000 -4.719) 9.256 18.236 ( 0.511 0.000 0.558) 0.756 18.856 ( 5.968 -0.000 -6.483) 8.811 ======================= Grid point 84 (62/84) ======================= q-point: ( 0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -3.986 3.890 0.000) 5.570 0.869 ( -16.341 9.818 0.000) 19.063 1.002 ( 9.031 10.394 0.000) 13.769 1.614 ( 0.760 -4.549 -0.000) 4.612 1.642 ( 3.622 0.502 -0.000) 3.657 2.118 ( 2.491 -9.312 -0.000) 9.640 2.152 ( -3.875 -14.821 -0.000) 15.319 2.336 ( -5.690 5.602 0.000) 7.985 2.516 ( -5.425 6.277 0.000) 8.296 2.640 ( 11.392 12.453 0.000) 16.878 3.187 ( 1.389 0.277 0.000) 1.416 3.255 ( 4.560 -0.779 -0.000) 4.626 3.259 ( 23.725 -26.535 -0.000) 35.595 3.493 ( 5.413 1.990 0.000) 5.767 3.575 ( 28.279 16.512 0.000) 32.747 3.605 ( 28.281 -19.348 -0.000) 34.266 3.666 ( 6.377 3.650 0.000) 7.347 4.429 ( 5.941 24.470 0.000) 25.181 5.191 ( 1.500 -21.802 -0.000) 21.854 5.840 ( -11.499 3.748 0.000) 12.095 6.014 ( -21.396 -1.516 0.000) 21.450 6.334 ( -0.757 13.826 0.000) 13.847 7.528 ( -13.255 -3.479 -0.000) 13.703 7.579 ( -13.344 10.018 0.000) 16.686 7.713 ( -3.807 15.070 0.000) 15.543 7.801 ( -7.382 -11.920 -0.000) 14.021 8.634 ( 9.761 -7.872 -0.000) 12.539 8.924 ( 11.345 2.431 0.000) 11.603 9.178 ( 5.882 2.473 0.000) 6.381 9.300 ( 6.092 -6.573 -0.000) 8.962 9.551 ( 12.931 4.276 0.000) 13.619 9.578 ( 11.952 -3.492 -0.000) 12.452 9.916 ( 8.265 -5.015 -0.000) 9.667 9.950 ( 10.725 5.024 0.000) 11.843 10.696 ( 16.383 -10.295 -0.000) 19.349 10.823 ( 5.838 6.953 0.000) 9.079 10.894 ( 5.696 -13.643 -0.000) 14.785 11.160 ( 1.939 15.929 0.000) 16.046 11.273 ( 6.176 -8.557 -0.000) 10.553 11.346 ( 10.046 11.000 0.000) 14.898 12.055 ( -11.268 -0.997 0.000) 11.312 12.199 ( -10.961 -3.873 -0.000) 11.625 12.751 ( -2.124 -10.951 -0.000) 11.155 13.372 ( 2.222 2.874 0.000) 3.632 14.354 ( 1.231 -17.747 -0.000) 17.790 14.761 ( -9.184 -14.165 -0.000) 16.881 14.766 ( -17.437 8.469 0.000) 19.385 15.290 ( -5.404 13.645 0.000) 14.676 15.569 ( -1.055 0.560 0.000) 1.195 15.570 ( -3.655 8.648 0.000) 9.389 15.996 ( 4.921 -1.351 -0.000) 5.104 16.225 ( 5.735 2.045 0.000) 6.088 16.326 ( -2.837 -14.730 -0.000) 15.001 16.951 ( -11.219 20.569 0.000) 23.429 17.035 ( -7.368 -0.899 0.000) 7.423 17.537 ( -4.903 -0.761 0.000) 4.962 17.681 ( -12.971 2.889 0.000) 13.289 18.115 ( -16.307 0.576 0.000) 16.317 18.411 ( 5.791 -12.654 -0.000) 13.917 18.999 ( 4.560 5.015 0.000) 6.778 ======================= Grid point 86 (63/84) ======================= q-point: ( 0.20 -0.20 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -4.470 -5.523 -0.000) 7.105 0.972 ( -20.144 -19.545 -0.000) 28.067 1.393 ( 1.618 1.099 0.000) 1.956 1.617 ( 2.454 0.775 0.000) 2.573 1.630 ( 14.552 20.234 0.000) 24.923 1.769 ( 3.218 -1.339 -0.000) 3.485 2.134 ( -7.910 2.250 0.000) 8.223 2.153 ( -7.180 8.892 0.000) 11.429 2.544 ( 7.209 -9.174 -0.000) 11.667 2.920 ( -5.073 -8.846 -0.000) 10.198 3.308 ( 3.431 2.430 0.000) 4.204 3.398 ( 2.643 3.100 0.000) 4.074 3.484 ( 19.681 -13.295 -0.000) 23.750 3.695 ( 5.471 -0.993 -0.000) 5.560 3.849 ( 4.700 3.111 0.000) 5.636 4.338 ( -15.028 0.981 0.000) 15.060 4.731 ( -3.412 5.658 0.000) 6.607 5.024 ( 11.859 -3.624 -0.000) 12.400 5.194 ( 8.158 2.796 0.000) 8.624 5.317 ( -4.151 4.593 0.000) 6.191 5.519 ( 19.514 -13.421 -0.000) 23.684 6.322 ( -2.591 5.859 0.000) 6.406 6.907 ( -15.679 -18.923 -0.000) 24.574 6.914 ( -18.194 2.178 0.000) 18.324 7.695 ( 6.375 16.364 0.000) 17.562 7.729 ( -13.397 13.426 0.000) 18.967 8.682 ( 5.887 -10.881 -0.000) 12.372 9.032 ( 0.077 -9.403 -0.000) 9.403 9.655 ( 9.714 -3.229 -0.000) 10.236 9.769 ( 2.849 -2.278 -0.000) 3.648 10.162 ( 21.318 6.700 0.000) 22.346 10.220 ( 12.071 6.018 0.000) 13.488 10.365 ( 13.498 12.095 0.000) 18.124 10.426 ( 0.393 10.857 0.000) 10.865 10.740 ( 0.134 -4.126 -0.000) 4.128 11.048 ( 7.320 -10.979 -0.000) 13.195 11.071 ( 7.645 -5.741 -0.000) 9.560 11.355 ( -8.209 4.668 0.000) 9.444 11.626 ( 14.690 -4.912 -0.000) 15.490 11.801 ( -1.587 2.346 0.000) 2.832 11.826 ( 2.725 -1.552 -0.000) 3.136 11.906 ( -0.427 -5.092 -0.000) 5.110 12.620 ( 11.719 8.628 0.000) 14.553 13.135 ( -17.069 6.519 0.000) 18.272 13.616 ( -25.512 -11.596 -0.000) 28.024 13.856 ( -23.992 -5.121 -0.000) 24.532 14.483 ( 13.920 -7.839 -0.000) 15.976 15.103 ( -12.938 -0.216 0.000) 12.940 15.624 ( 1.347 11.386 0.000) 11.466 15.662 ( -5.266 8.147 0.000) 9.701 16.145 ( 10.916 -3.174 -0.000) 11.368 16.196 ( 5.815 -6.079 -0.000) 8.412 16.434 ( -5.481 2.144 0.000) 5.885 16.839 ( 0.158 -1.990 -0.000) 1.997 16.925 ( -8.153 7.003 0.000) 10.747 17.230 ( -4.544 -2.329 -0.000) 5.105 17.278 ( -9.035 1.596 0.000) 9.175 17.336 ( -13.682 -4.589 -0.000) 14.431 18.578 ( 11.274 -3.316 -0.000) 11.751 19.217 ( 1.367 3.673 0.000) 3.919 ======================= Grid point 87 (64/84) ======================= q-point: (-0.30 -0.20 0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -15.889 19.829 0.090) 25.410 1.010 ( 15.889 19.829 -0.090) 25.410 1.499 ( -11.537 -14.220 -0.253) 18.313 1.499 ( 11.537 -14.220 0.253) 18.313 1.662 ( -0.897 -4.182 -7.829) 8.921 1.662 ( 0.897 -4.182 7.829) 8.921 1.792 ( 0.032 -0.596 -5.415) 5.448 1.792 ( -0.032 -0.596 5.415) 5.448 2.992 ( -3.750 7.977 -1.882) 9.013 2.992 ( 3.750 7.977 1.882) 9.013 3.301 ( -1.232 -4.317 -0.280) 4.498 3.301 ( 1.232 -4.317 0.280) 4.498 3.793 ( 2.403 1.263 -1.600) 3.152 3.793 ( -2.403 1.263 1.600) 3.152 4.098 ( -7.815 3.485 -1.201) 8.641 4.098 ( 7.815 3.485 1.201) 8.641 4.713 ( -2.386 -3.728 -6.465) 7.835 4.713 ( 2.386 -3.728 6.465) 7.835 5.400 ( -0.559 1.380 -3.185) 3.515 5.400 ( 0.559 1.380 3.185) 3.515 6.068 ( -2.310 -0.304 -4.731) 5.273 6.068 ( 2.310 -0.304 4.731) 5.273 6.937 ( -7.954 16.465 -3.801) 18.676 6.937 ( 7.954 16.465 3.801) 18.676 7.306 ( 11.399 -18.798 -6.102) 22.815 7.306 ( -11.399 -18.798 6.102) 22.815 9.072 ( -2.465 5.376 -3.209) 6.729 9.072 ( 2.465 5.376 3.209) 6.729 9.841 ( -1.399 4.916 -0.973) 5.203 9.841 ( 1.399 4.916 0.973) 5.203 10.143 ( -5.389 -11.160 0.876) 12.424 10.143 ( 5.389 -11.160 -0.876) 12.424 10.388 ( -0.149 -2.223 -1.974) 2.977 10.388 ( 0.149 -2.223 1.974) 2.977 11.015 ( -0.356 3.336 -5.100) 6.104 11.015 ( 0.356 3.336 5.100) 6.104 11.250 ( 1.299 -1.824 -4.020) 4.601 11.250 ( -1.299 -1.824 4.020) 4.601 11.808 ( -7.220 5.510 1.977) 9.295 11.808 ( 7.220 5.510 -1.977) 9.295 12.015 ( -1.423 0.248 -1.542) 2.113 12.015 ( 1.423 0.248 1.542) 2.113 12.622 ( -1.854 -5.982 -2.923) 6.911 12.622 ( 1.854 -5.982 2.923) 6.911 13.635 ( -2.769 5.514 -1.238) 6.293 13.635 ( 2.769 5.514 1.238) 6.293 14.860 ( -5.910 2.800 -1.837) 6.792 14.860 ( 5.910 2.800 1.837) 6.792 15.445 ( 2.614 -5.727 -1.502) 6.473 15.445 ( -2.614 -5.727 1.502) 6.473 16.341 ( 1.051 3.391 -1.214) 3.752 16.341 ( -1.051 3.391 1.214) 3.752 16.473 ( -5.986 -3.247 -3.582) 7.694 16.473 ( 5.986 -3.247 3.582) 7.694 17.126 ( -3.189 3.805 -2.888) 5.744 17.126 ( 3.189 3.805 2.888) 5.744 17.204 ( 0.045 -1.319 -4.836) 5.012 17.204 ( -0.045 -1.319 4.836) 5.012 18.952 ( -1.869 -1.371 -7.240) 7.602 18.952 ( 1.869 -1.371 7.240) 7.602 ======================= Grid point 89 (65/84) ======================= q-point: ( 0.20 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 20.253 -0.000 -0.000) 20.253 0.606 ( 20.897 -0.000 -0.000) 20.897 1.128 ( -12.935 0.000 0.000) 12.935 1.807 ( 4.097 -0.000 -0.000) 4.097 1.828 ( -3.797 0.000 0.000) 3.797 1.874 ( -0.583 0.000 0.000) 0.583 1.913 ( -12.625 0.000 0.000) 12.625 2.206 ( -12.357 0.000 0.000) 12.357 2.615 ( 6.474 -0.000 -0.000) 6.474 2.656 ( 9.403 -0.000 -0.000) 9.403 3.227 ( -21.687 0.000 0.000) 21.687 3.369 ( -10.132 0.000 0.000) 10.132 3.406 ( -4.604 0.000 0.000) 4.604 3.529 ( -7.476 0.000 0.000) 7.476 3.956 ( -2.003 0.000 0.000) 2.003 4.275 ( 16.489 -0.000 -0.000) 16.489 5.004 ( -14.733 0.000 0.000) 14.733 5.038 ( 14.625 -0.000 -0.000) 14.625 5.150 ( -20.777 0.000 0.000) 20.777 5.244 ( 15.943 -0.000 -0.000) 15.943 5.670 ( -27.291 0.000 0.000) 27.291 6.288 ( 18.995 -0.000 -0.000) 18.995 6.421 ( -3.918 0.000 0.000) 3.918 7.043 ( 21.537 -0.000 -0.000) 21.537 7.514 ( -4.254 0.000 0.000) 4.254 8.305 ( 13.351 -0.000 -0.000) 13.351 8.660 ( -2.832 0.000 0.000) 2.832 8.720 ( -8.505 0.000 0.000) 8.505 9.717 ( -6.501 0.000 0.000) 6.501 9.748 ( -1.199 0.000 0.000) 1.199 10.056 ( -18.932 0.000 0.000) 18.932 10.490 ( -14.319 0.000 0.000) 14.319 10.494 ( -6.263 0.000 0.000) 6.263 10.795 ( -3.736 0.000 0.000) 3.736 10.823 ( -6.491 0.000 0.000) 6.491 10.858 ( -5.470 0.000 0.000) 5.470 11.017 ( 4.008 -0.000 -0.000) 4.008 11.402 ( 10.783 -0.000 -0.000) 10.783 11.558 ( -26.685 0.000 0.000) 26.685 11.644 ( 3.987 -0.000 -0.000) 3.987 11.804 ( 8.323 -0.000 -0.000) 8.323 11.955 ( -6.583 0.000 0.000) 6.583 12.884 ( 6.615 -0.000 -0.000) 6.615 13.088 ( -6.916 0.000 0.000) 6.916 13.474 ( 30.728 -0.000 -0.000) 30.728 13.728 ( 28.655 -0.000 -0.000) 28.655 14.426 ( -17.175 0.000 0.000) 17.175 14.982 ( 11.490 -0.000 -0.000) 11.490 15.454 ( -6.818 0.000 0.000) 6.818 15.882 ( 0.755 -0.000 -0.000) 0.755 16.101 ( -8.897 0.000 0.000) 8.897 16.223 ( -15.559 0.000 0.000) 15.559 16.546 ( 14.052 -0.000 -0.000) 14.052 16.582 ( 2.144 -0.000 -0.000) 2.144 16.896 ( 6.356 -0.000 -0.000) 6.356 17.073 ( 4.535 -0.000 -0.000) 4.535 17.327 ( 7.213 -0.000 -0.000) 7.213 17.394 ( 9.821 -0.000 -0.000) 9.821 18.903 ( 3.432 -0.000 -0.000) 3.432 19.227 ( -2.953 0.000 0.000) 2.953 ======================= Grid point 94 (66/84) ======================= q-point: (-0.53 -0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.489 0.914 -2.459) 2.669 1.207 ( 3.010 4.407 9.737) 11.103 1.342 ( 10.911 -10.839 0.728) 15.397 1.461 ( 2.030 -7.052 1.072) 7.416 1.605 ( 6.210 0.019 4.473) 7.653 1.641 ( -11.299 7.320 -0.211) 13.464 2.149 ( -5.697 -5.492 -9.485) 12.352 2.238 ( 17.147 -10.075 -5.550) 20.647 2.293 ( 1.199 -15.824 -2.134) 16.012 2.538 ( 16.474 -18.435 -8.414) 26.116 2.582 ( 12.316 8.956 0.018) 15.228 2.824 ( 1.195 1.629 0.046) 2.021 3.086 ( 4.726 -1.467 0.693) 4.997 3.169 ( 1.014 0.029 -0.708) 1.237 3.286 ( 23.416 14.003 1.238) 27.311 3.598 ( 2.025 6.842 2.447) 7.543 3.891 ( -6.323 6.290 8.044) 12.011 4.639 ( 5.336 -23.614 4.418) 24.610 4.857 ( -3.330 16.499 -2.574) 17.027 5.832 ( 0.456 -9.683 -0.103) 9.694 6.620 ( -24.930 7.378 0.673) 26.008 6.767 ( -6.305 24.445 -1.242) 25.276 7.632 ( 0.346 0.167 -3.307) 3.329 7.743 ( 1.716 3.140 2.068) 4.133 7.754 ( -9.813 -3.183 -8.147) 13.145 8.167 ( 5.114 -1.481 1.825) 5.628 8.382 ( -6.071 -5.095 -0.432) 7.938 8.483 ( 4.595 -10.565 0.187) 11.523 9.156 ( 0.484 3.149 -0.528) 3.229 9.236 ( 13.275 8.134 2.584) 15.782 9.389 ( 4.327 0.496 0.152) 4.358 9.567 ( -13.148 2.746 0.834) 13.458 9.734 ( 12.197 1.787 -0.147) 12.328 9.824 ( 9.524 0.857 2.573) 9.903 10.106 ( 13.995 -9.385 -0.348) 16.854 10.550 ( 2.834 -10.432 -0.470) 10.820 10.747 ( 21.777 8.965 1.000) 23.572 11.082 ( 0.659 -5.509 -0.457) 5.567 11.378 ( 0.534 3.099 -0.337) 3.163 11.585 ( -0.581 21.619 3.011) 21.835 12.222 ( -8.603 -6.174 2.505) 10.881 12.276 ( -7.721 -3.736 -1.556) 8.718 12.545 ( 3.696 -16.486 6.355) 18.051 13.252 ( 7.459 0.829 -0.647) 7.533 13.861 ( 4.234 -20.588 0.684) 21.030 14.684 ( -2.701 -6.020 0.878) 6.656 15.180 ( -13.671 1.422 -1.074) 13.786 15.488 ( 1.344 5.946 -2.884) 6.744 15.604 ( 1.320 4.894 -0.612) 5.106 15.767 ( -1.450 4.782 0.477) 5.020 15.931 ( 1.131 -1.671 2.044) 2.873 16.090 ( 4.975 -3.810 1.081) 6.359 16.140 ( -2.437 -8.656 -0.033) 8.992 17.256 ( -9.679 5.325 0.627) 11.065 17.546 ( -0.569 7.164 -1.568) 7.356 17.670 ( -9.029 13.174 1.203) 16.017 17.996 ( -11.898 0.348 0.489) 11.913 18.075 ( 2.013 -13.570 1.673) 13.820 18.334 ( -8.861 1.232 -7.019) 11.371 18.941 ( 4.578 4.221 -5.441) 8.269 ======================= Grid point 96 (67/84) ======================= q-point: (-0.53 -0.23 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -21.402 0.000 0.418) 21.406 1.071 ( -20.525 0.000 -0.916) 20.545 1.414 ( 2.571 0.000 5.656) 6.213 1.595 ( 4.191 0.000 3.159) 5.248 1.709 ( 4.683 -0.000 -1.693) 4.980 1.713 ( 13.907 -0.000 -0.625) 13.921 1.741 ( 9.713 -0.000 -0.130) 9.714 2.168 ( -1.871 -0.000 -12.515) 12.654 2.708 ( -7.130 0.000 2.806) 7.663 2.794 ( 24.179 -0.000 -2.376) 24.295 2.912 ( -3.612 -0.000 -1.551) 3.931 3.270 ( 5.264 -0.000 0.880) 5.337 3.322 ( 6.671 -0.000 -0.773) 6.716 3.648 ( -2.396 0.000 0.589) 2.468 3.825 ( 4.191 -0.000 0.612) 4.235 4.246 ( 43.303 -0.000 3.091) 43.414 4.670 ( -13.339 0.000 -0.893) 13.369 4.678 ( 31.102 -0.000 -1.527) 31.139 4.896 ( 20.166 0.000 4.417) 20.644 5.459 ( -28.893 0.000 3.489) 29.102 5.606 ( -11.065 -0.000 -4.470) 11.933 6.445 ( -7.509 0.000 -0.187) 7.511 7.019 ( -20.393 -0.000 -6.647) 21.449 7.413 ( -24.404 0.000 1.952) 24.481 7.739 ( 2.760 -0.000 -5.497) 6.151 8.190 ( -10.918 0.000 1.976) 11.095 8.407 ( 10.258 0.000 2.866) 10.651 8.789 ( 9.333 -0.000 -1.575) 9.465 9.380 ( 12.448 -0.000 2.139) 12.630 9.669 ( 5.448 -0.000 0.375) 5.461 9.709 ( 24.354 -0.000 -1.130) 24.380 10.024 ( 16.885 -0.000 1.709) 16.971 10.367 ( 10.398 -0.000 -0.127) 10.399 10.480 ( 15.854 -0.000 0.365) 15.858 10.483 ( 12.349 0.000 6.130) 13.787 10.782 ( -7.114 0.000 0.416) 7.126 11.032 ( 25.356 -0.000 -0.574) 25.362 11.057 ( 0.113 -0.000 -1.945) 1.949 11.587 ( -5.702 0.000 -0.434) 5.718 11.827 ( -1.178 0.000 2.486) 2.751 11.904 ( -7.077 -0.000 -2.501) 7.506 11.992 ( -9.400 0.000 -0.059) 9.401 12.480 ( 14.081 0.000 8.060) 16.225 13.393 ( -6.359 -0.000 -4.096) 7.563 14.063 ( -26.198 0.000 0.054) 26.198 14.074 ( 15.305 -0.000 0.001) 15.305 14.330 ( -26.937 0.000 -0.570) 26.943 15.324 ( -10.735 -0.000 -2.243) 10.966 15.783 ( 4.923 -0.000 0.351) 4.935 15.790 ( -5.404 -0.000 -4.749) 7.194 15.923 ( 8.168 -0.000 -0.163) 8.170 15.971 ( 1.495 0.000 1.397) 2.046 16.523 ( 5.161 -0.000 -0.255) 5.167 16.832 ( -9.850 0.000 -1.389) 9.948 17.268 ( -10.437 0.000 4.069) 11.203 17.304 ( -11.584 -0.000 -3.450) 12.087 17.513 ( -9.636 0.000 1.811) 9.805 17.649 ( -21.373 -0.000 -4.835) 21.914 18.347 ( 14.946 0.000 9.295) 17.600 19.167 ( 3.144 -0.000 -3.799) 4.932 ======================= Grid point 103 (68/84) ======================= 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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -0.000 -0.000 -12.826) 12.826 0.651 ( -0.000 -0.000 -11.668) 11.668 1.359 ( 0.000 0.000 4.414) 4.414 1.503 ( 0.000 0.000 4.846) 4.846 1.561 ( 0.000 0.000 14.670) 14.670 1.654 ( -0.000 -0.000 -32.318) 32.318 1.833 ( -0.000 -0.000 -4.435) 4.435 1.882 ( 0.000 0.000 1.229) 1.229 2.121 ( -0.000 -0.000 -1.695) 1.695 2.408 ( -0.000 -0.000 -3.722) 3.722 2.461 ( 0.000 0.000 1.348) 1.348 2.596 ( -0.000 -0.000 -0.926) 0.926 3.122 ( -0.000 -0.000 -2.810) 2.810 3.144 ( 0.000 0.000 2.573) 2.573 3.260 ( 0.000 0.000 2.979) 2.979 3.727 ( 0.000 0.000 1.491) 1.491 4.313 ( 0.000 0.000 10.935) 10.935 4.411 ( 0.000 0.000 6.410) 6.410 5.006 ( -0.000 -0.000 -2.956) 2.956 5.736 ( 0.000 0.000 2.848) 2.848 7.104 ( -0.000 -0.000 -0.449) 0.449 7.317 ( -0.000 -0.000 -3.055) 3.055 7.422 ( 0.000 0.000 2.603) 2.603 7.665 ( -0.000 -0.000 -9.703) 9.703 7.717 ( 0.000 0.000 3.477) 3.477 7.908 ( -0.000 -0.000 -4.130) 4.130 8.027 ( 0.000 0.000 0.426) 0.426 8.856 ( 0.000 0.000 4.136) 4.136 9.124 ( -0.000 -0.000 -0.275) 0.275 9.329 ( -0.000 -0.000 -2.055) 2.055 9.382 ( 0.000 0.000 1.029) 1.029 9.417 ( 0.000 0.000 0.955) 0.955 9.717 ( 0.000 0.000 2.714) 2.714 9.903 ( -0.000 -0.000 -0.800) 0.800 10.018 ( -0.000 -0.000 -0.080) 0.080 10.390 ( 0.000 0.000 0.655) 0.655 10.396 ( -0.000 -0.000 -0.523) 0.523 11.010 ( 0.000 0.000 0.106) 0.106 11.383 ( -0.000 -0.000 -1.679) 1.679 12.100 ( 0.000 0.000 3.211) 3.211 12.181 ( 0.000 0.000 9.143) 9.143 12.294 ( -0.000 -0.000 -0.407) 0.407 12.329 ( -0.000 -0.000 -0.581) 0.581 13.188 ( 0.000 0.000 1.160) 1.160 13.594 ( 0.000 0.000 0.203) 0.203 14.673 ( 0.000 0.000 1.519) 1.519 15.319 ( -0.000 -0.000 -0.624) 0.624 15.429 ( -0.000 -0.000 -4.927) 4.927 15.644 ( -0.000 -0.000 -0.461) 0.461 15.921 ( 0.000 0.000 0.456) 0.456 15.926 ( 0.000 0.000 1.049) 1.049 15.977 ( 0.000 0.000 5.465) 5.465 16.087 ( 0.000 0.000 0.046) 0.046 17.477 ( 0.000 0.000 2.020) 2.020 17.588 ( -0.000 -0.000 -0.566) 0.566 17.883 ( 0.000 0.000 0.530) 0.530 17.951 ( -0.000 -0.000 -0.237) 0.237 18.163 ( -0.000 -0.000 -0.003) 0.003 18.192 ( -0.000 -0.000 -13.157) 13.157 18.784 ( -0.000 -0.000 -7.366) 7.366 ======================= Grid point 104 (69/84) ======================= q-point: ( 0.25 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 5.993 12.862 0.000) 14.190 1.005 ( -14.695 -9.467 -0.000) 17.480 1.230 ( -17.771 14.178 0.000) 22.734 1.564 ( 4.237 -0.274 -0.000) 4.246 1.600 ( 0.555 -5.643 -0.000) 5.670 1.812 ( 17.150 -15.858 -0.000) 23.358 2.176 ( 12.498 12.420 0.000) 17.620 2.422 ( -1.443 3.474 0.000) 3.762 2.524 ( -5.707 -4.450 -0.000) 7.237 2.638 ( 27.436 -16.454 -0.000) 31.992 2.692 ( -4.748 8.261 0.000) 9.529 2.916 ( 24.594 17.617 0.000) 30.253 3.136 ( 6.928 -1.270 -0.000) 7.043 3.156 ( 2.015 1.131 0.000) 2.311 3.292 ( 6.814 -42.787 -0.000) 43.326 3.441 ( 2.117 4.072 0.000) 4.590 3.680 ( -1.529 4.846 0.000) 5.081 4.385 ( -0.057 33.831 0.000) 33.831 5.137 ( 2.634 -28.946 -0.000) 29.066 5.965 ( -2.043 9.149 0.000) 9.374 6.348 ( -0.228 5.939 0.000) 5.943 6.444 ( -18.801 9.906 0.000) 21.251 7.520 ( 7.870 6.872 0.000) 10.448 7.715 ( -6.883 -0.724 0.000) 6.921 8.010 ( -14.195 11.791 0.000) 18.453 8.071 ( -17.494 -13.417 -0.000) 22.047 8.458 ( 4.095 -2.917 -0.000) 5.028 8.671 ( 12.021 0.188 -0.000) 12.022 9.036 ( 13.586 4.691 0.000) 14.373 9.195 ( 10.307 -7.192 -0.000) 12.568 9.442 ( -2.694 -5.048 -0.000) 5.721 9.467 ( -7.341 5.639 0.000) 9.257 9.745 ( 7.953 -3.540 -0.000) 8.705 9.757 ( 6.894 2.632 0.000) 7.380 10.323 ( 18.505 -11.452 -0.000) 21.761 10.524 ( 20.407 11.489 0.000) 23.419 10.840 ( 0.735 -17.354 -0.000) 17.370 11.145 ( 0.161 19.264 0.000) 19.264 11.210 ( 1.135 -5.832 -0.000) 5.942 11.299 ( -2.175 5.141 0.000) 5.583 12.283 ( -11.318 -2.164 -0.000) 11.523 12.417 ( -10.436 -7.009 -0.000) 12.571 12.717 ( 5.257 -9.791 -0.000) 11.113 13.245 ( 8.720 1.130 -0.000) 8.793 14.343 ( -0.289 -25.691 -0.000) 25.693 14.842 ( -0.363 -10.921 -0.000) 10.927 15.063 ( -11.873 13.278 0.000) 17.812 15.346 ( -0.405 12.058 0.000) 12.065 15.553 ( 2.135 -1.464 -0.000) 2.589 15.621 ( 0.538 7.763 0.000) 7.781 15.936 ( -0.603 0.240 0.000) 0.649 16.156 ( 1.645 -2.999 -0.000) 3.420 16.401 ( -3.736 -16.644 -0.000) 17.058 17.178 ( -6.215 -0.026 0.000) 6.215 17.187 ( -10.680 25.663 0.000) 27.796 17.590 ( -0.517 -4.130 -0.000) 4.162 17.912 ( -9.115 5.946 0.000) 10.883 18.322 ( 2.925 -11.815 -0.000) 12.172 18.384 ( -9.744 2.296 0.000) 10.011 18.915 ( 3.305 5.286 0.000) 6.234 ======================= Grid point 106 (70/84) ======================= q-point: ( 0.25 -0.25 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -19.267 10.892 0.000) 22.133 1.212 ( 5.958 10.490 0.000) 12.064 1.307 ( 5.994 4.080 0.000) 7.251 1.505 ( -12.059 -8.173 -0.000) 14.567 1.576 ( 2.162 -1.592 -0.000) 2.685 1.708 ( 2.904 -0.427 -0.000) 2.935 2.099 ( 11.737 -14.424 -0.000) 18.596 2.293 ( -7.763 3.386 0.000) 8.470 2.543 ( -6.293 8.153 0.000) 10.299 2.972 ( 0.555 -0.627 -0.000) 0.837 3.057 ( 21.681 -21.424 -0.000) 30.480 3.224 ( 4.437 1.926 0.000) 4.837 3.326 ( 4.132 0.397 -0.000) 4.151 3.638 ( 0.080 -0.413 -0.000) 0.421 3.737 ( 5.905 6.655 0.000) 8.897 4.253 ( 41.474 -3.539 -0.000) 41.625 4.492 ( 10.321 13.637 0.000) 17.102 4.766 ( 13.544 -1.211 -0.000) 13.598 4.958 ( 9.309 -8.773 -0.000) 12.791 5.482 ( -20.565 -7.131 -0.000) 21.766 5.602 ( -14.171 4.361 0.000) 14.827 6.425 ( -8.131 2.549 0.000) 8.521 7.236 ( -15.689 -11.374 -0.000) 19.378 7.331 ( -22.699 5.268 0.000) 23.302 7.625 ( 0.526 12.958 0.000) 12.969 7.958 ( -7.488 14.605 0.000) 16.413 8.561 ( 5.767 -12.342 -0.000) 13.623 8.959 ( 7.209 -10.993 -0.000) 13.146 9.383 ( 14.717 -2.409 -0.000) 14.913 9.650 ( 15.328 2.984 0.000) 15.616 9.709 ( 15.165 -1.759 -0.000) 15.267 9.944 ( 15.069 5.447 0.000) 16.023 10.135 ( 9.671 11.182 0.000) 14.784 10.323 ( 10.122 8.211 0.000) 13.034 10.744 ( 14.935 -15.008 -0.000) 21.173 10.799 ( -5.879 -1.728 -0.000) 6.127 10.984 ( 11.225 0.675 -0.000) 11.245 11.247 ( 13.408 -11.161 -0.000) 17.446 11.446 ( -1.570 10.364 0.000) 10.482 11.854 ( -6.447 2.203 0.000) 6.813 11.877 ( 8.006 5.963 0.000) 9.983 11.949 ( -8.739 -1.154 0.000) 8.815 12.465 ( 2.015 -7.223 -0.000) 7.499 13.399 ( -7.310 3.821 0.000) 8.249 14.126 ( -15.093 -6.602 -0.000) 16.474 14.237 ( 2.984 -14.059 -0.000) 14.372 14.364 ( -25.546 -2.149 0.000) 25.636 15.332 ( -9.814 3.276 0.000) 10.346 15.641 ( -2.286 10.687 0.000) 10.929 15.709 ( 0.858 7.135 0.000) 7.187 15.987 ( 3.586 -3.901 -0.000) 5.299 16.095 ( 3.895 -9.558 -0.000) 10.321 16.472 ( 4.205 5.131 0.000) 6.634 16.876 ( -5.459 -1.848 -0.000) 5.763 17.068 ( -9.511 11.845 0.000) 15.191 17.403 ( -12.276 -3.124 -0.000) 12.667 17.452 ( -7.822 2.900 0.000) 8.342 17.719 ( -21.430 -1.510 0.000) 21.483 18.341 ( 11.637 -8.516 -0.000) 14.421 19.170 ( 3.254 3.679 0.000) 4.912 ======================= Grid point 108 (71/84) ======================= 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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 3.778 -0.000 -0.000) 3.778 0.324 ( -4.463 0.000 0.000) 4.463 1.331 ( -7.015 0.000 0.000) 7.015 1.718 ( 4.635 -0.000 -0.000) 4.635 1.803 ( 2.502 -0.000 -0.000) 2.502 1.995 ( -7.751 0.000 0.000) 7.751 2.100 ( -4.155 0.000 0.000) 4.155 2.273 ( 8.480 -0.000 -0.000) 8.480 2.500 ( 3.070 -0.000 -0.000) 3.070 2.598 ( -6.619 0.000 0.000) 6.619 3.366 ( -0.507 0.000 0.000) 0.507 3.460 ( -0.688 0.000 0.000) 0.688 3.656 ( 0.365 -0.000 -0.000) 0.365 3.734 ( -10.149 0.000 0.000) 10.149 3.947 ( 12.324 -0.000 -0.000) 12.324 3.974 ( -7.528 0.000 0.000) 7.528 4.818 ( 4.792 -0.000 -0.000) 4.792 5.106 ( 4.626 -0.000 -0.000) 4.626 5.143 ( -5.733 0.000 0.000) 5.733 5.389 ( -2.273 0.000 0.000) 2.273 5.888 ( 22.107 -0.000 -0.000) 22.107 6.180 ( -23.825 0.000 0.000) 23.825 6.599 ( -13.488 0.000 0.000) 13.488 6.665 ( 15.767 -0.000 -0.000) 15.767 7.643 ( -9.310 0.000 0.000) 9.310 8.052 ( 10.846 -0.000 -0.000) 10.846 8.654 ( 3.176 -0.000 -0.000) 3.176 8.859 ( -5.135 0.000 0.000) 5.135 9.741 ( 2.337 -0.000 -0.000) 2.337 9.782 ( -0.362 0.000 0.000) 0.362 10.339 ( -7.859 0.000 0.000) 7.859 10.552 ( 0.303 -0.000 -0.000) 0.303 10.608 ( 6.717 -0.000 -0.000) 6.717 10.744 ( 4.776 -0.000 -0.000) 4.776 10.791 ( 12.417 -0.000 -0.000) 12.417 10.917 ( -6.309 0.000 0.000) 6.309 11.146 ( 14.032 -0.000 -0.000) 14.032 11.150 ( -14.458 0.000 0.000) 14.458 11.641 ( -4.557 0.000 0.000) 4.557 11.692 ( 2.067 -0.000 -0.000) 2.067 11.928 ( -5.304 0.000 0.000) 5.304 12.056 ( 6.390 -0.000 -0.000) 6.390 12.940 ( -16.809 0.000 0.000) 16.809 13.029 ( 6.112 -0.000 -0.000) 6.112 13.182 ( 25.173 -0.000 -0.000) 25.173 13.338 ( -18.247 0.000 0.000) 18.247 14.718 ( 14.868 -0.000 -0.000) 14.868 14.770 ( -16.937 0.000 0.000) 16.937 15.607 ( -7.945 0.000 0.000) 7.945 15.829 ( 3.283 -0.000 -0.000) 3.283 16.273 ( -8.605 0.000 0.000) 8.605 16.297 ( 10.792 -0.000 -0.000) 10.792 16.401 ( 13.638 -0.000 -0.000) 13.638 16.613 ( -21.711 0.000 0.000) 21.711 16.830 ( 1.045 -0.000 -0.000) 1.045 17.117 ( -7.102 0.000 0.000) 7.102 17.209 ( 3.955 -0.000 -0.000) 3.955 17.240 ( 4.580 -0.000 -0.000) 4.580 18.777 ( 9.129 -0.000 -0.000) 9.129 19.264 ( -0.758 0.000 0.000) 0.758 ======================= Grid point 113 (72/84) ======================= q-point: (-0.48 -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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.000 -10.847 -4.264) 11.655 1.085 ( -0.000 -14.720 -3.942) 15.238 1.202 ( 0.000 5.709 13.658) 14.803 1.438 ( -0.000 -10.380 1.693) 10.517 1.464 ( -0.000 -6.097 4.951) 7.854 1.858 ( 0.000 10.945 0.096) 10.946 1.950 ( -0.000 -7.744 -2.420) 8.113 2.179 ( -0.000 -18.806 -8.374) 20.587 2.277 ( 0.000 13.052 0.240) 13.054 2.430 ( -0.000 -12.334 -14.060) 18.703 2.563 ( -0.000 -7.163 -2.042) 7.448 2.737 ( -0.000 -7.269 -1.635) 7.450 3.001 ( 0.000 14.848 2.403) 15.041 3.091 ( 0.000 3.351 2.357) 4.097 3.156 ( 0.000 2.004 -1.940) 2.789 3.578 ( 0.000 6.753 2.808) 7.313 3.960 ( 0.000 7.611 10.375) 12.867 4.585 ( -0.000 -24.636 4.361) 25.020 4.893 ( 0.000 17.741 -3.080) 18.006 5.816 ( -0.000 -11.924 1.266) 11.991 6.803 ( 0.000 31.345 -2.349) 31.433 6.971 ( 0.000 12.984 -0.368) 12.989 7.479 ( 0.000 -0.092 3.415) 3.416 7.787 ( 0.000 5.275 -7.337) 9.036 8.009 ( -0.000 -20.552 -0.186) 20.553 8.073 ( -0.000 -5.073 1.092) 5.189 8.154 ( -0.000 -11.180 -6.487) 12.926 8.773 ( -0.000 -2.976 5.876) 6.586 8.939 ( 0.000 16.409 0.774) 16.427 9.172 ( 0.000 9.916 0.543) 9.931 9.423 ( -0.000 -5.548 -1.543) 5.759 9.516 ( -0.000 -3.393 0.407) 3.417 9.641 ( 0.000 2.071 1.664) 2.656 9.950 ( 0.000 4.446 -0.169) 4.450 9.966 ( -0.000 -2.169 0.055) 2.170 10.339 ( 0.000 3.503 0.606) 3.555 10.526 ( -0.000 -11.182 -0.525) 11.194 11.076 ( -0.000 -5.875 -0.060) 5.875 11.393 ( 0.000 2.211 -0.968) 2.414 11.594 ( 0.000 21.776 3.012) 21.983 12.334 ( -0.000 -8.133 0.024) 8.133 12.395 ( -0.000 -6.230 1.074) 6.322 12.451 ( -0.000 -13.568 5.215) 14.536 13.161 ( 0.000 0.896 0.723) 1.152 13.819 ( -0.000 -22.129 0.772) 22.142 14.704 ( -0.000 -5.569 1.324) 5.725 15.352 ( -0.000 -1.715 -0.434) 1.769 15.433 ( 0.000 8.785 -3.371) 9.410 15.595 ( 0.000 5.541 -0.515) 5.565 15.747 ( 0.000 7.358 1.115) 7.442 15.990 ( -0.000 -2.860 3.405) 4.447 15.991 ( -0.000 -7.007 -0.297) 7.013 16.179 ( -0.000 -9.587 0.439) 9.597 17.395 ( 0.000 12.874 0.086) 12.874 17.487 ( -0.000 -3.771 0.638) 3.825 17.788 ( 0.000 16.983 -0.606) 16.994 18.058 ( -0.000 -13.570 1.368) 13.639 18.130 ( 0.000 3.540 0.564) 3.585 18.424 ( -0.000 0.828 -8.626) 8.665 18.888 ( 0.000 4.158 -6.243) 7.501 ======================= Grid point 115 (73/84) ======================= q-point: (-0.48 -0.28 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 6.618 -0.000 -1.041) 6.700 1.284 ( -0.251 0.000 0.205) 0.323 1.380 ( 5.791 0.000 7.499) 9.474 1.480 ( 5.534 0.000 1.362) 5.700 1.510 ( -3.046 -0.000 -0.612) 3.107 1.661 ( -15.002 0.000 0.024) 15.002 1.689 ( 2.080 0.000 3.559) 4.123 2.231 ( -3.658 -0.000 -20.679) 21.000 2.316 ( 20.745 -0.000 -2.070) 20.848 2.814 ( -2.300 0.000 3.213) 3.951 2.959 ( 2.321 -0.000 -2.174) 3.180 3.138 ( 7.607 -0.000 0.129) 7.608 3.189 ( 4.858 -0.000 -0.800) 4.923 3.244 ( 51.126 -0.000 0.303) 51.127 3.749 ( 3.333 0.000 0.676) 3.401 3.783 ( -8.410 0.000 5.411) 10.000 4.020 ( 32.759 -0.000 -0.034) 32.759 4.557 ( 13.077 0.000 4.355) 13.783 4.893 ( -8.008 0.000 -0.866) 8.055 5.738 ( -2.243 -0.000 -2.227) 3.161 6.074 ( -31.578 0.000 2.652) 31.689 6.714 ( -18.033 0.000 -1.136) 18.068 7.372 ( -13.727 -0.000 -6.509) 15.192 7.708 ( -0.250 -0.000 -7.180) 7.185 7.908 ( -23.216 0.000 2.501) 23.350 8.182 ( 11.027 0.000 3.322) 11.516 8.268 ( 4.474 -0.000 0.363) 4.489 8.538 ( 14.703 -0.000 -1.734) 14.805 9.281 ( -4.740 0.000 2.897) 5.555 9.310 ( 13.306 -0.000 -0.557) 13.318 9.542 ( 6.843 -0.000 0.644) 6.873 9.676 ( 17.235 -0.000 1.107) 17.271 10.135 ( 14.662 -0.000 -0.131) 14.662 10.163 ( 17.639 0.000 4.415) 18.183 10.194 ( 12.855 -0.000 0.575) 12.868 10.612 ( 15.021 -0.000 -0.658) 15.036 10.938 ( -6.377 0.000 -0.061) 6.377 11.042 ( 1.179 -0.000 -1.279) 1.739 11.588 ( 7.225 -0.000 -0.144) 7.227 11.893 ( -4.379 0.000 4.685) 6.413 12.034 ( -4.664 -0.000 -1.769) 4.988 12.158 ( -7.011 0.000 -0.116) 7.012 12.243 ( 6.957 0.000 9.003) 11.378 13.400 ( 4.751 -0.000 -2.439) 5.340 13.808 ( 10.931 -0.000 -0.047) 10.931 14.468 ( -13.591 0.000 0.132) 13.591 14.825 ( -21.923 0.000 -0.712) 21.935 15.495 ( -6.134 -0.000 -2.873) 6.773 15.709 ( 0.745 0.000 0.464) 0.877 15.761 ( 6.494 -0.000 0.383) 6.506 15.926 ( -6.963 -0.000 -3.682) 7.876 15.988 ( -0.847 0.000 0.581) 1.027 16.313 ( 14.219 -0.000 1.193) 14.269 17.065 ( -12.055 0.000 1.165) 12.111 17.554 ( -17.449 0.000 -0.966) 17.476 17.576 ( -14.492 -0.000 -3.148) 14.830 17.691 ( -8.065 0.000 2.128) 8.341 17.973 ( -0.850 -0.000 -2.262) 2.416 18.135 ( -4.101 0.000 3.697) 5.522 19.085 ( 4.902 -0.000 -3.953) 6.298 ======================= Grid point 123 (74/84) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 13.910 0.000) 13.910 1.287 ( -0.000 -14.322 -0.000) 14.322 1.372 ( -0.000 -5.902 -0.000) 5.902 1.504 ( -0.000 -2.333 -0.000) 2.333 1.594 ( -0.000 -6.460 -0.000) 6.460 1.620 ( 0.000 6.171 0.000) 6.171 1.957 ( 0.000 16.940 0.000) 16.940 2.290 ( -0.000 -20.692 -0.000) 20.692 2.489 ( 0.000 5.810 0.000) 5.810 2.539 ( 0.000 20.231 0.000) 20.231 2.630 ( 0.000 0.005 0.000) 0.005 2.861 ( -0.000 -1.691 -0.000) 1.691 3.027 ( 0.000 0.590 0.000) 0.590 3.132 ( 0.000 1.557 0.000) 1.557 3.228 ( -0.000 -45.693 -0.000) 45.693 3.421 ( 0.000 3.921 0.000) 3.921 3.697 ( 0.000 6.138 0.000) 6.138 4.392 ( 0.000 35.931 0.000) 35.931 5.109 ( -0.000 -30.556 -0.000) 30.556 5.976 ( 0.000 10.878 0.000) 10.878 6.346 ( 0.000 2.450 0.000) 2.450 6.656 ( 0.000 17.371 0.000) 17.371 7.424 ( 0.000 0.939 0.000) 0.939 7.807 ( 0.000 0.632 0.000) 0.632 8.115 ( 0.000 0.450 0.000) 0.450 8.299 ( -0.000 -5.536 -0.000) 5.536 8.532 ( -0.000 -16.861 -0.000) 16.861 8.535 ( 0.000 20.509 0.000) 20.509 8.791 ( -0.000 -7.088 -0.000) 7.088 9.030 ( 0.000 2.947 0.000) 2.947 9.554 ( -0.000 -2.054 -0.000) 2.054 9.581 ( 0.000 1.868 0.000) 1.868 9.618 ( -0.000 -11.248 -0.000) 11.248 9.740 ( 0.000 12.603 0.000) 12.603 10.099 ( -0.000 -7.898 -0.000) 7.898 10.232 ( 0.000 6.248 0.000) 6.248 10.836 ( -0.000 -18.463 -0.000) 18.463 11.144 ( 0.000 20.065 0.000) 20.065 11.202 ( -0.000 -5.623 -0.000) 5.623 11.330 ( 0.000 4.915 0.000) 4.915 12.452 ( -0.000 -0.416 -0.000) 0.416 12.549 ( -0.000 -10.292 -0.000) 10.292 12.606 ( -0.000 -11.260 -0.000) 11.260 13.126 ( 0.000 2.564 0.000) 2.564 14.350 ( -0.000 -29.115 -0.000) 29.115 14.837 ( -0.000 -9.353 -0.000) 9.353 15.205 ( 0.000 17.613 0.000) 17.613 15.329 ( 0.000 8.189 0.000) 8.189 15.523 ( -0.000 -1.497 -0.000) 1.497 15.596 ( 0.000 6.621 0.000) 6.621 15.964 ( 0.000 1.092 0.000) 1.092 16.140 ( -0.000 -4.839 -0.000) 4.839 16.443 ( -0.000 -17.171 -0.000) 17.171 17.248 ( 0.000 0.541 0.000) 0.541 17.306 ( 0.000 27.235 0.000) 27.235 17.586 ( -0.000 -6.087 -0.000) 6.087 18.009 ( 0.000 7.332 0.000) 7.332 18.294 ( -0.000 -10.825 -0.000) 10.825 18.482 ( 0.000 2.979 0.000) 2.979 18.882 ( 0.000 4.895 0.000) 4.895 ======================= Grid point 125 (75/84) ======================= q-point: ( 0.30 -0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 9.130 14.561 0.000) 17.187 1.122 ( -20.377 13.871 0.000) 24.650 1.180 ( 6.247 6.643 0.000) 9.119 1.521 ( 3.367 -4.497 -0.000) 5.618 1.649 ( 3.263 0.057 -0.000) 3.263 1.797 ( 13.138 -18.312 -0.000) 22.537 1.869 ( -16.108 -14.147 -0.000) 21.439 2.421 ( -3.318 1.768 0.000) 3.759 2.666 ( 15.769 -24.744 -0.000) 29.341 2.674 ( -4.511 7.119 0.000) 8.427 2.867 ( 8.613 9.456 0.000) 12.790 3.175 ( 0.687 -1.791 -0.000) 1.919 3.222 ( 6.358 -2.022 -0.000) 6.672 3.320 ( 47.255 -7.665 -0.000) 47.872 3.638 ( 4.763 7.476 0.000) 8.864 3.686 ( -4.284 1.830 0.000) 4.659 3.898 ( 35.174 11.367 0.000) 36.965 4.743 ( 9.867 -20.021 -0.000) 22.320 4.795 ( -5.042 11.305 0.000) 12.379 5.806 ( -5.579 -3.658 -0.000) 6.671 6.028 ( -30.036 1.440 0.000) 30.070 6.621 ( -10.156 10.827 0.000) 14.845 7.500 ( -10.796 -3.094 -0.000) 11.230 7.684 ( -6.654 4.351 0.000) 7.950 7.775 ( -17.522 8.622 0.000) 19.528 7.976 ( 2.147 10.895 0.000) 11.105 8.433 ( 8.493 -10.913 -0.000) 13.828 8.765 ( 11.753 -14.784 -0.000) 18.887 9.227 ( -1.774 2.018 0.000) 2.687 9.286 ( 13.235 2.618 0.000) 13.491 9.528 ( 8.565 -0.395 -0.000) 8.574 9.631 ( 15.331 3.050 0.000) 15.632 9.949 ( 9.571 7.127 0.000) 11.933 10.057 ( 15.056 4.630 0.000) 15.752 10.447 ( 16.505 -14.025 -0.000) 21.659 10.687 ( 12.094 -6.697 -0.000) 13.825 10.918 ( -3.042 2.507 0.000) 3.942 11.124 ( 2.687 -6.011 -0.000) 6.584 11.456 ( 1.814 11.880 0.000) 12.018 11.623 ( 12.577 16.420 0.000) 20.683 12.018 ( -8.861 -1.800 -0.000) 9.042 12.126 ( -8.895 -2.918 -0.000) 9.361 12.482 ( -1.390 -15.946 -0.000) 16.007 13.413 ( 4.963 1.359 0.000) 5.146 13.985 ( 8.770 -16.095 -0.000) 18.329 14.542 ( -12.392 -7.419 -0.000) 14.443 14.839 ( -21.205 0.220 0.000) 21.206 15.485 ( -5.185 5.391 0.000) 7.480 15.656 ( 1.715 6.869 0.000) 7.080 15.695 ( -1.530 2.486 0.000) 2.919 15.961 ( 1.124 0.219 0.000) 1.145 16.075 ( -2.162 -9.471 -0.000) 9.714 16.280 ( 12.588 2.050 -0.000) 12.754 17.045 ( -10.128 0.864 0.000) 10.165 17.337 ( -16.416 16.449 0.000) 23.239 17.569 ( -3.278 4.570 0.000) 5.624 17.695 ( -15.975 -1.777 0.000) 16.074 18.125 ( -18.170 0.509 0.000) 18.177 18.144 ( 7.414 -13.150 -0.000) 15.096 19.092 ( 4.423 3.603 0.000) 5.705 ======================= Grid point 127 (76/84) ======================= q-point: ( 0.30 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -19.850 0.000 0.000) 19.850 0.642 ( -21.499 0.000 0.000) 21.499 1.400 ( 0.075 -0.000 -0.000) 0.075 1.631 ( 3.818 -0.000 -0.000) 3.818 1.752 ( 2.510 -0.000 -0.000) 2.510 2.018 ( 14.815 -0.000 -0.000) 14.815 2.024 ( 10.280 -0.000 -0.000) 10.280 2.159 ( -8.516 0.000 0.000) 8.516 2.543 ( -5.863 0.000 0.000) 5.863 2.775 ( -8.936 0.000 0.000) 8.936 3.332 ( 3.186 -0.000 -0.000) 3.186 3.338 ( 24.357 -0.000 -0.000) 24.357 3.433 ( 3.335 -0.000 -0.000) 3.335 3.686 ( 5.224 -0.000 -0.000) 5.224 3.884 ( 1.457 -0.000 -0.000) 1.457 4.334 ( -19.991 0.000 0.000) 19.991 4.849 ( 20.909 -0.000 -0.000) 20.909 4.937 ( -16.909 0.000 0.000) 16.909 5.218 ( 18.753 -0.000 -0.000) 18.753 5.368 ( 29.148 -0.000 -0.000) 29.148 5.382 ( -15.322 0.000 0.000) 15.322 6.437 ( 6.300 -0.000 -0.000) 6.300 6.649 ( -23.307 0.000 0.000) 23.307 6.941 ( -20.231 0.000 0.000) 20.231 7.887 ( 5.896 -0.000 -0.000) 5.896 7.887 ( -14.433 0.000 0.000) 14.433 8.547 ( 7.258 -0.000 -0.000) 7.258 8.907 ( 0.930 -0.000 -0.000) 0.930 9.621 ( 10.367 -0.000 -0.000) 10.367 9.753 ( 3.058 -0.000 -0.000) 3.058 10.235 ( 24.742 -0.000 -0.000) 24.742 10.291 ( 10.919 -0.000 -0.000) 10.919 10.548 ( 1.526 -0.000 -0.000) 1.526 10.589 ( 10.903 -0.000 -0.000) 10.903 10.689 ( -0.476 0.000 0.000) 0.476 10.802 ( 16.092 -0.000 -0.000) 16.092 11.052 ( -2.872 0.000 0.000) 2.872 11.411 ( -11.410 0.000 0.000) 11.410 11.559 ( 22.749 -0.000 -0.000) 22.749 11.794 ( -9.439 0.000 0.000) 9.439 11.822 ( -0.587 0.000 0.000) 0.587 11.867 ( 5.838 -0.000 -0.000) 5.838 12.738 ( 19.417 -0.000 -0.000) 19.417 13.206 ( -15.339 0.000 0.000) 15.339 13.471 ( -31.195 0.000 0.000) 31.195 13.794 ( -26.192 0.000 0.000) 26.192 14.399 ( 16.641 -0.000 -0.000) 16.641 15.089 ( -14.686 0.000 0.000) 14.686 15.751 ( -5.901 0.000 0.000) 5.901 15.787 ( 0.124 -0.000 -0.000) 0.124 16.105 ( 8.931 -0.000 -0.000) 8.931 16.116 ( 13.425 -0.000 -0.000) 13.425 16.448 ( -8.458 0.000 0.000) 8.458 16.820 ( 0.462 -0.000 -0.000) 0.462 16.995 ( -13.007 0.000 0.000) 13.007 17.196 ( -3.233 0.000 0.000) 3.233 17.294 ( -9.776 0.000 0.000) 9.776 17.295 ( -13.635 0.000 0.000) 13.635 18.544 ( 13.896 -0.000 -0.000) 13.896 19.257 ( 1.417 -0.000 -0.000) 1.417 ======================= Grid point 136 (77/84) ======================= q-point: (-0.43 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 11.611 -0.000 -5.911) 13.029 1.034 ( 14.478 -0.000 -2.507) 14.694 1.294 ( 2.525 0.000 10.338) 10.641 1.342 ( 7.000 0.000 3.331) 7.752 1.600 ( 9.362 0.000 5.664) 10.942 1.800 ( -15.126 0.000 -0.258) 15.128 1.985 ( 2.469 -0.000 -3.388) 4.192 2.077 ( -13.489 0.000 0.739) 13.509 2.159 ( 24.289 -0.000 -7.211) 25.337 2.426 ( 8.916 -0.000 -18.281) 20.339 2.744 ( 8.664 -0.000 0.686) 8.691 2.779 ( 13.885 -0.000 -1.158) 13.933 3.079 ( -0.112 0.000 1.981) 1.984 3.164 ( -0.752 -0.000 -1.740) 1.896 3.441 ( 22.166 -0.000 1.201) 22.198 3.707 ( 1.637 0.000 1.376) 2.139 3.959 ( -7.647 0.000 10.114) 12.680 4.356 ( 6.932 0.000 4.688) 8.369 5.017 ( -4.576 -0.000 -1.707) 4.884 5.721 ( 2.783 -0.000 0.492) 2.826 6.689 ( -29.074 0.000 1.301) 29.103 7.109 ( -19.864 0.000 -0.569) 19.872 7.510 ( 0.063 -0.000 -4.739) 4.740 7.748 ( 1.775 -0.000 -6.365) 6.607 7.886 ( 7.873 -0.000 0.081) 7.873 8.097 ( 9.141 -0.000 0.337) 9.147 8.230 ( 15.557 -0.000 -1.842) 15.666 8.430 ( -22.669 0.000 3.972) 23.015 9.188 ( -2.417 -0.000 -0.585) 2.487 9.351 ( 15.023 -0.000 0.876) 15.048 9.417 ( 5.159 -0.000 0.762) 5.215 9.583 ( -22.650 0.000 0.859) 22.666 9.766 ( 20.544 -0.000 -0.375) 20.548 9.824 ( 14.480 0.000 3.164) 14.822 9.992 ( 7.147 -0.000 -0.367) 7.157 10.439 ( 3.866 -0.000 -0.432) 3.890 10.846 ( 21.121 -0.000 1.514) 21.175 11.019 ( 0.996 -0.000 -0.346) 1.054 11.411 ( 3.123 -0.000 -0.307) 3.138 11.972 ( -3.047 0.000 6.113) 6.830 12.050 ( 0.891 0.000 2.410) 2.570 12.266 ( -3.641 0.000 -0.213) 3.648 12.267 ( -5.400 0.000 1.356) 5.568 13.259 ( 7.711 -0.000 -0.293) 7.716 13.644 ( 5.433 -0.000 0.032) 5.433 14.622 ( -3.189 0.000 0.534) 3.234 15.184 ( -13.463 0.000 -0.852) 13.490 15.550 ( 1.072 -0.000 -2.910) 3.101 15.659 ( 1.254 -0.000 -0.343) 1.300 15.790 ( -5.823 0.000 1.236) 5.953 15.979 ( 1.930 -0.000 0.261) 1.948 15.996 ( 7.225 -0.000 0.830) 7.272 16.066 ( 1.462 0.000 1.258) 1.929 17.294 ( -10.653 0.000 1.077) 10.707 17.729 ( 6.679 -0.000 -1.489) 6.843 17.795 ( -5.298 0.000 0.950) 5.383 17.867 ( -10.129 0.000 -1.223) 10.202 17.993 ( -13.262 0.000 1.433) 13.339 18.349 ( -8.688 -0.000 -6.586) 10.902 18.984 ( 4.644 -0.000 -4.827) 6.699 ======================= Grid point 146 (78/84) ======================= q-point: ( 0.35 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -1.770 2.057 0.000) 2.714 1.073 ( 4.099 8.872 0.000) 9.773 1.350 ( 8.062 -9.633 -0.000) 12.561 1.448 ( 3.437 -9.422 -0.000) 10.029 1.555 ( 7.290 -1.318 -0.000) 7.408 1.644 ( -10.417 6.670 0.000) 12.370 2.205 ( -13.564 -8.181 -0.000) 15.840 2.287 ( 24.982 -15.032 -0.000) 29.155 2.339 ( 12.423 -18.704 -0.000) 22.454 2.570 ( 11.137 8.664 0.000) 14.110 2.726 ( 3.089 -4.587 -0.000) 5.530 2.804 ( 0.520 2.268 0.000) 2.327 3.078 ( 6.191 -2.556 -0.000) 6.698 3.175 ( 1.215 1.322 0.000) 1.795 3.274 ( 23.405 13.648 0.000) 27.094 3.568 ( 2.385 8.079 0.000) 8.424 3.775 ( -3.689 3.908 0.000) 5.374 4.589 ( 5.298 -23.731 -0.000) 24.315 4.886 ( -3.810 15.646 0.000) 16.103 5.832 ( 1.819 -10.314 -0.000) 10.473 6.613 ( -27.138 6.080 0.000) 27.811 6.781 ( -5.253 25.157 0.000) 25.699 7.673 ( 14.756 7.859 0.000) 16.718 7.715 ( -11.559 -4.654 -0.000) 12.461 7.861 ( -9.600 -2.011 -0.000) 9.809 8.140 ( 3.228 -0.135 -0.000) 3.231 8.378 ( -15.283 -2.189 0.000) 15.438 8.488 ( 15.602 -15.791 -0.000) 22.198 9.165 ( 0.367 2.432 0.000) 2.459 9.201 ( 13.806 10.127 0.000) 17.122 9.387 ( 3.636 0.058 -0.000) 3.636 9.559 ( -13.172 2.781 0.000) 13.462 9.736 ( 12.078 1.848 -0.000) 12.219 9.794 ( 7.998 0.416 -0.000) 8.009 10.110 ( 14.158 -9.338 -0.000) 16.960 10.555 ( 2.779 -10.491 -0.000) 10.853 10.736 ( 22.070 8.637 0.000) 23.700 11.088 ( 1.095 -5.626 -0.000) 5.732 11.381 ( -0.204 3.136 0.000) 3.143 11.550 ( -0.629 20.615 0.000) 20.624 12.193 ( -8.572 -6.363 -0.000) 10.675 12.299 ( -7.800 -4.378 -0.000) 8.944 12.470 ( 3.029 -14.516 -0.000) 14.829 13.259 ( 8.656 0.324 -0.000) 8.662 13.854 ( 4.321 -19.817 -0.000) 20.283 14.674 ( -2.301 -5.710 -0.000) 6.156 15.192 ( -13.755 1.136 0.000) 13.801 15.522 ( 1.789 6.012 0.000) 6.273 15.610 ( 1.272 4.683 0.000) 4.852 15.761 ( -1.863 4.454 0.000) 4.828 15.902 ( 2.217 -0.821 -0.000) 2.364 16.080 ( 6.169 -4.299 -0.000) 7.519 16.141 ( -3.209 -8.655 -0.000) 9.231 17.248 ( -9.719 4.177 0.000) 10.578 17.566 ( 3.454 3.785 0.000) 5.125 17.653 ( -13.168 19.028 0.000) 23.140 17.993 ( -12.311 1.547 0.000) 12.408 18.056 ( 1.826 -14.413 -0.000) 14.529 18.415 ( -10.216 1.026 0.000) 10.268 19.005 ( 3.770 3.267 0.000) 4.988 ======================= Grid point 148 (79/84) ======================= q-point: ( 0.35 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -21.270 0.000 0.000) 21.270 1.084 ( -21.351 0.000 0.000) 21.351 1.346 ( 4.529 -0.000 -0.000) 4.529 1.562 ( 3.622 -0.000 -0.000) 3.622 1.703 ( 2.506 -0.000 -0.000) 2.506 1.720 ( 13.884 -0.000 -0.000) 13.884 1.758 ( 15.336 -0.000 -0.000) 15.336 2.333 ( -8.836 0.000 0.000) 8.836 2.667 ( -5.813 0.000 0.000) 5.813 2.821 ( 26.107 -0.000 -0.000) 26.107 2.929 ( -6.052 0.000 0.000) 6.052 3.256 ( 4.724 -0.000 -0.000) 4.724 3.330 ( 6.731 -0.000 -0.000) 6.731 3.633 ( -0.597 0.000 0.000) 0.597 3.819 ( 4.166 -0.000 -0.000) 4.166 4.214 ( 42.877 -0.000 -0.000) 42.877 4.680 ( -14.144 0.000 0.000) 14.144 4.695 ( 31.786 -0.000 -0.000) 31.786 4.845 ( 21.012 -0.000 -0.000) 21.012 5.420 ( -29.255 0.000 0.000) 29.255 5.656 ( -10.203 0.000 0.000) 10.203 6.448 ( -7.965 0.000 0.000) 7.965 7.099 ( -21.009 0.000 0.000) 21.009 7.388 ( -23.977 0.000 0.000) 23.977 7.806 ( 2.323 -0.000 -0.000) 2.323 8.170 ( -11.994 0.000 0.000) 11.994 8.370 ( 10.383 -0.000 -0.000) 10.383 8.805 ( 9.294 -0.000 -0.000) 9.294 9.357 ( 13.410 -0.000 -0.000) 13.410 9.665 ( 5.647 -0.000 -0.000) 5.647 9.722 ( 24.734 -0.000 -0.000) 24.734 10.004 ( 16.561 -0.000 -0.000) 16.561 10.368 ( 10.575 -0.000 -0.000) 10.575 10.412 ( 12.078 -0.000 -0.000) 12.078 10.476 ( 15.775 -0.000 -0.000) 15.775 10.777 ( -7.653 0.000 0.000) 7.653 11.039 ( 25.174 -0.000 -0.000) 25.174 11.080 ( 0.150 -0.000 -0.000) 0.150 11.592 ( -5.987 0.000 0.000) 5.987 11.799 ( 0.055 -0.000 -0.000) 0.055 11.937 ( -7.540 0.000 0.000) 7.540 11.992 ( -9.452 0.000 0.000) 9.452 12.385 ( 16.516 -0.000 -0.000) 16.516 13.438 ( -5.832 0.000 0.000) 5.832 14.063 ( -26.168 0.000 0.000) 26.168 14.074 ( 15.270 -0.000 -0.000) 15.270 14.336 ( -26.936 0.000 0.000) 26.936 15.349 ( -11.174 0.000 0.000) 11.174 15.779 ( 4.761 -0.000 -0.000) 4.761 15.842 ( -5.333 0.000 0.000) 5.333 15.926 ( 8.958 -0.000 -0.000) 8.958 15.954 ( 0.532 -0.000 -0.000) 0.532 16.526 ( 4.102 -0.000 -0.000) 4.102 16.854 ( -6.364 0.000 0.000) 6.364 17.214 ( -13.165 0.000 0.000) 13.165 17.345 ( -11.371 0.000 0.000) 11.371 17.490 ( -9.502 0.000 0.000) 9.502 17.705 ( -22.898 0.000 0.000) 22.898 18.245 ( 15.160 -0.000 -0.000) 15.160 19.210 ( 3.308 -0.000 -0.000) 3.308 ======================= Grid point 156 (80/84) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -0.000 -0.000 -6.804) 6.804 0.885 ( -0.000 -0.000 -9.077) 9.077 1.260 ( 0.000 0.000 4.679) 4.679 1.270 ( 0.000 0.000 11.250) 11.250 1.382 ( 0.000 0.000 5.647) 5.647 1.882 ( -0.000 -0.000 -0.770) 0.770 1.913 ( -0.000 -0.000 -2.784) 2.784 1.986 ( -0.000 -0.000 -1.486) 1.486 2.434 ( 0.000 0.000 0.986) 0.986 2.440 ( -0.000 -0.000 -24.241) 24.241 2.469 ( -0.000 -0.000 -1.949) 1.949 2.603 ( 0.000 0.000 0.151) 0.151 3.088 ( 0.000 0.000 2.608) 2.608 3.178 ( -0.000 -0.000 -2.134) 2.134 3.202 ( 0.000 0.000 2.158) 2.158 3.691 ( 0.000 0.000 1.533) 1.533 4.043 ( 0.000 0.000 13.172) 13.172 4.285 ( 0.000 0.000 4.675) 4.675 5.067 ( -0.000 -0.000 -2.362) 2.362 5.682 ( 0.000 0.000 1.982) 1.982 7.116 ( -0.000 -0.000 -0.485) 0.485 7.372 ( 0.000 0.000 1.825) 1.825 7.390 ( -0.000 -0.000 -3.574) 3.574 7.635 ( 0.000 0.000 3.893) 3.893 7.889 ( -0.000 -0.000 -10.195) 10.195 7.980 ( -0.000 -0.000 -1.830) 1.830 8.029 ( -0.000 -0.000 -1.072) 1.072 8.742 ( 0.000 0.000 6.041) 6.041 9.129 ( -0.000 -0.000 -0.206) 0.206 9.362 ( 0.000 0.000 0.727) 0.727 9.370 ( -0.000 -0.000 -1.560) 1.560 9.400 ( 0.000 0.000 0.626) 0.626 9.664 ( 0.000 0.000 1.980) 1.980 9.919 ( -0.000 -0.000 -0.557) 0.557 10.019 ( -0.000 -0.000 -0.051) 0.051 10.375 ( 0.000 0.000 0.664) 0.664 10.406 ( -0.000 -0.000 -0.370) 0.370 11.008 ( 0.000 0.000 0.039) 0.039 11.415 ( -0.000 -0.000 -1.144) 1.144 12.004 ( 0.000 0.000 6.590) 6.590 12.040 ( 0.000 0.000 2.175) 2.175 12.302 ( -0.000 -0.000 -0.291) 0.291 12.336 ( -0.000 -0.000 -0.117) 0.117 13.166 ( 0.000 0.000 0.813) 0.813 13.590 ( 0.000 0.000 0.145) 0.145 14.647 ( 0.000 0.000 0.857) 0.857 15.331 ( -0.000 -0.000 -0.434) 0.434 15.520 ( -0.000 -0.000 -3.226) 3.226 15.653 ( -0.000 -0.000 -0.354) 0.354 15.876 ( 0.000 0.000 3.566) 3.566 15.904 ( 0.000 0.000 0.899) 0.899 15.913 ( 0.000 0.000 0.298) 0.298 16.087 ( -0.000 -0.000 -0.015) 0.015 17.447 ( 0.000 0.000 0.848) 0.848 17.599 ( -0.000 -0.000 -0.399) 0.399 17.844 ( 0.000 0.000 1.953) 1.953 17.983 ( -0.000 -0.000 -1.695) 1.695 18.163 ( -0.000 -0.000 -0.000) 0.000 18.432 ( -0.000 -0.000 -8.470) 8.470 18.930 ( -0.000 -0.000 -5.490) 5.490 ======================= Grid point 166 (81/84) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 9.746 0.000) 9.746 1.034 ( -0.000 -9.843 -0.000) 9.843 1.131 ( -0.000 -11.496 -0.000) 11.496 1.405 ( -0.000 -6.942 -0.000) 6.942 1.417 ( -0.000 -12.898 -0.000) 12.898 1.853 ( 0.000 11.420 0.000) 11.420 1.979 ( -0.000 -9.368 -0.000) 9.368 2.244 ( -0.000 -29.359 -0.000) 29.359 2.272 ( 0.000 14.314 0.000) 14.314 2.508 ( -0.000 -6.211 -0.000) 6.211 2.734 ( 0.000 1.015 0.000) 1.015 2.755 ( -0.000 -7.954 -0.000) 7.954 2.971 ( 0.000 14.075 0.000) 14.075 3.056 ( 0.000 3.681 0.000) 3.681 3.178 ( 0.000 2.235 0.000) 2.235 3.543 ( 0.000 8.172 0.000) 8.172 3.814 ( 0.000 4.624 0.000) 4.624 4.536 ( -0.000 -24.819 -0.000) 24.819 4.929 ( 0.000 17.051 0.000) 17.051 5.801 ( -0.000 -12.599 -0.000) 12.599 6.831 ( 0.000 30.893 0.000) 30.893 6.976 ( 0.000 13.076 0.000) 13.076 7.439 ( 0.000 0.426 0.000) 0.426 7.876 ( 0.000 6.108 0.000) 6.108 8.010 ( -0.000 -21.700 -0.000) 21.700 8.056 ( -0.000 -4.799 -0.000) 4.799 8.246 ( -0.000 -11.832 -0.000) 11.832 8.689 ( -0.000 -3.224 -0.000) 3.224 8.932 ( 0.000 17.314 0.000) 17.314 9.166 ( 0.000 9.760 0.000) 9.760 9.441 ( -0.000 -5.698 -0.000) 5.698 9.512 ( -0.000 -3.623 -0.000) 3.623 9.622 ( 0.000 1.785 0.000) 1.785 9.953 ( 0.000 7.309 0.000) 7.309 9.965 ( -0.000 -4.559 -0.000) 4.559 10.331 ( 0.000 3.453 0.000) 3.453 10.532 ( -0.000 -11.325 -0.000) 11.325 11.077 ( -0.000 -5.950 -0.000) 5.950 11.404 ( 0.000 2.400 0.000) 2.400 11.560 ( 0.000 20.849 0.000) 20.849 12.333 ( -0.000 -15.804 -0.000) 15.804 12.384 ( -0.000 -5.615 -0.000) 5.615 12.391 ( -0.000 -5.374 -0.000) 5.374 13.153 ( 0.000 0.532 0.000) 0.532 13.811 ( -0.000 -21.275 -0.000) 21.275 14.689 ( -0.000 -5.116 -0.000) 5.116 15.357 ( -0.000 -1.747 -0.000) 1.747 15.472 ( 0.000 8.666 0.000) 8.666 15.600 ( 0.000 5.314 0.000) 5.314 15.733 ( 0.000 6.778 0.000) 6.778 15.951 ( -0.000 -2.355 -0.000) 2.355 15.994 ( -0.000 -7.523 -0.000) 7.523 16.176 ( -0.000 -8.956 -0.000) 8.956 17.393 ( 0.000 12.019 0.000) 12.019 17.480 ( -0.000 -3.977 -0.000) 3.977 17.795 ( 0.000 19.232 0.000) 19.232 18.043 ( -0.000 -13.745 -0.000) 13.745 18.126 ( 0.000 3.993 0.000) 3.993 18.518 ( 0.000 0.937 0.000) 0.937 18.963 ( 0.000 2.894 0.000) 2.894 ======================= Grid point 168 (82/84) ======================= q-point: ( 0.40 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 4.864 -0.000 -0.000) 4.864 1.281 ( -1.431 0.000 0.000) 1.431 1.298 ( 6.961 -0.000 -0.000) 6.961 1.464 ( 6.603 -0.000 -0.000) 6.603 1.516 ( -1.994 0.000 0.000) 1.994 1.648 ( 3.238 -0.000 -0.000) 3.238 1.663 ( -15.382 0.000 0.000) 15.382 2.340 ( 20.817 -0.000 -0.000) 20.817 2.498 ( -6.541 0.000 0.000) 6.541 2.753 ( -1.918 0.000 0.000) 1.918 2.983 ( 2.750 -0.000 -0.000) 2.750 3.136 ( 6.543 -0.000 -0.000) 6.543 3.198 ( 4.383 -0.000 -0.000) 4.383 3.243 ( 50.341 -0.000 -0.000) 50.341 3.706 ( -5.748 0.000 0.000) 5.748 3.741 ( 3.332 -0.000 -0.000) 3.332 4.020 ( 33.858 -0.000 -0.000) 33.858 4.508 ( 13.393 -0.000 -0.000) 13.393 4.902 ( -8.451 0.000 0.000) 8.451 5.762 ( -0.710 0.000 0.000) 0.710 6.045 ( -32.194 0.000 0.000) 32.194 6.728 ( -18.314 0.000 0.000) 18.314 7.448 ( -12.361 0.000 0.000) 12.361 7.806 ( -3.235 0.000 0.000) 3.235 7.874 ( -23.197 0.000 0.000) 23.197 8.133 ( 12.558 -0.000 -0.000) 12.558 8.264 ( 4.230 -0.000 -0.000) 4.230 8.556 ( 14.651 -0.000 -0.000) 14.651 9.250 ( -6.142 0.000 0.000) 6.142 9.318 ( 14.226 -0.000 -0.000) 14.226 9.535 ( 6.924 -0.000 -0.000) 6.924 9.661 ( 17.065 -0.000 -0.000) 17.065 10.107 ( 17.030 -0.000 -0.000) 17.030 10.136 ( 14.468 -0.000 -0.000) 14.468 10.191 ( 12.312 -0.000 -0.000) 12.312 10.620 ( 15.154 -0.000 -0.000) 15.154 10.939 ( -6.284 0.000 0.000) 6.284 11.057 ( 1.742 -0.000 -0.000) 1.742 11.590 ( 8.187 -0.000 -0.000) 8.187 11.840 ( -3.293 0.000 0.000) 3.293 12.095 ( -8.126 0.000 0.000) 8.126 12.103 ( 9.353 -0.000 -0.000) 9.353 12.160 ( -7.050 0.000 0.000) 7.050 13.427 ( 5.936 -0.000 -0.000) 5.936 13.809 ( 10.930 -0.000 -0.000) 10.930 14.466 ( -13.489 0.000 0.000) 13.489 14.833 ( -22.042 0.000 0.000) 22.042 15.529 ( -6.486 0.000 0.000) 6.486 15.703 ( 0.262 -0.000 -0.000) 0.262 15.757 ( 7.499 -0.000 -0.000) 7.499 15.965 ( -5.965 0.000 0.000) 5.965 15.982 ( -1.196 0.000 0.000) 1.196 16.298 ( 16.151 -0.000 -0.000) 16.151 17.052 ( -11.646 0.000 0.000) 11.646 17.566 ( -21.110 0.000 0.000) 21.110 17.617 ( -14.723 0.000 0.000) 14.723 17.662 ( -7.468 0.000 0.000) 7.468 17.966 ( 12.452 -0.000 -0.000) 12.452 18.131 ( -18.794 0.000 0.000) 18.794 19.129 ( 4.558 -0.000 -0.000) 4.558 ======================= Grid point 189 (83/84) ======================= q-point: ( 0.45 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 12.082 -0.000 -0.000) 12.082 1.099 ( 8.852 -0.000 -0.000) 8.852 1.167 ( 2.924 -0.000 -0.000) 2.924 1.298 ( 8.922 -0.000 -0.000) 8.922 1.535 ( 10.440 -0.000 -0.000) 10.440 1.801 ( -15.646 0.000 0.000) 15.646 2.033 ( 9.477 -0.000 -0.000) 9.477 2.058 ( -20.690 0.000 0.000) 20.690 2.209 ( 33.697 -0.000 -0.000) 33.697 2.704 ( 6.619 -0.000 -0.000) 6.619 2.724 ( -2.457 0.000 0.000) 2.457 2.792 ( 14.241 -0.000 -0.000) 14.241 3.049 ( 1.544 -0.000 -0.000) 1.544 3.184 ( -1.007 0.000 0.000) 1.007 3.428 ( 23.034 -0.000 -0.000) 23.034 3.690 ( 1.721 -0.000 -0.000) 1.721 3.817 ( -4.412 0.000 0.000) 4.412 4.303 ( 7.004 -0.000 -0.000) 7.004 5.036 ( -5.170 0.000 0.000) 5.170 5.715 ( 4.151 -0.000 -0.000) 4.151 6.675 ( -30.017 0.000 0.000) 30.017 7.114 ( -18.684 0.000 0.000) 18.684 7.569 ( -1.612 0.000 0.000) 1.612 7.778 ( 19.093 -0.000 -0.000) 19.093 7.936 ( -7.530 0.000 0.000) 7.530 8.093 ( 9.077 -0.000 -0.000) 9.077 8.251 ( 15.165 -0.000 -0.000) 15.165 8.371 ( -21.699 0.000 0.000) 21.699 9.195 ( -2.356 0.000 0.000) 2.356 9.339 ( 14.925 -0.000 -0.000) 14.925 9.409 ( 5.100 -0.000 -0.000) 5.100 9.575 ( -23.829 0.000 0.000) 23.829 9.770 ( 20.492 -0.000 -0.000) 20.492 9.787 ( 13.387 -0.000 -0.000) 13.387 9.996 ( 6.923 -0.000 -0.000) 6.923 10.444 ( 3.952 -0.000 -0.000) 3.952 10.830 ( 21.749 -0.000 -0.000) 21.749 11.023 ( 1.425 -0.000 -0.000) 1.425 11.415 ( 2.014 -0.000 -0.000) 2.014 11.903 ( -2.489 0.000 0.000) 2.489 12.023 ( 0.940 -0.000 -0.000) 0.940 12.253 ( -7.122 0.000 0.000) 7.122 12.268 ( -3.705 0.000 0.000) 3.705 13.262 ( 8.763 -0.000 -0.000) 8.763 13.644 ( 5.522 -0.000 -0.000) 5.522 14.616 ( -2.904 0.000 0.000) 2.904 15.193 ( -13.394 0.000 0.000) 13.394 15.583 ( 1.448 -0.000 -0.000) 1.448 15.663 ( 1.035 -0.000 -0.000) 1.035 15.775 ( -6.255 0.000 0.000) 6.255 15.977 ( 1.941 -0.000 -0.000) 1.941 15.979 ( 13.333 -0.000 -0.000) 13.333 16.057 ( -3.088 0.000 0.000) 3.088 17.283 ( -10.944 0.000 0.000) 10.944 17.745 ( 9.810 -0.000 -0.000) 9.810 17.779 ( -4.101 0.000 0.000) 4.101 17.886 ( -10.869 0.000 0.000) 10.869 17.975 ( -17.268 0.000 0.000) 17.268 18.426 ( -10.133 0.000 0.000) 10.133 19.039 ( 4.051 -0.000 -0.000) 4.051 ======================= Grid point 209 (84/84) ======================= 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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 0.000 0.000) 0.000 1.004 ( 0.000 0.000 0.000) 0.000 1.138 ( 0.000 0.000 0.000) 0.000 1.189 ( 0.000 0.000 0.000) 0.000 1.310 ( 0.000 -0.000 0.000) 0.000 1.894 ( 0.000 -0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 -0.000 0.000) 0.000 2.490 ( 0.000 -0.000 0.000) 0.000 2.599 ( 0.000 -0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 -0.000 0.000) 0.000 3.203 ( -0.000 -0.000 -0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 -0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.579 ( -0.000 0.000 -0.000) 0.000 7.993 ( 0.000 -0.000 0.000) 0.000 8.022 ( -0.000 -0.000 -0.000) 0.000 8.051 ( 0.000 0.000 0.000) 0.000 8.657 ( 0.000 -0.000 0.000) 0.000 9.132 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.925 ( 0.000 0.000 0.000) 0.000 10.020 ( 0.000 0.000 0.000) 0.000 10.367 ( 0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 11.008 ( 0.000 -0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 11.929 ( 0.000 -0.000 0.000) 0.000 12.015 ( 0.000 0.000 0.000) 0.000 12.305 ( 0.000 0.000 0.000) 0.000 12.336 ( 0.000 0.000 0.000) 0.000 13.157 ( 0.000 0.000 0.000) 0.000 13.588 ( 0.000 0.000 0.000) 0.000 14.637 ( 0.000 -0.000 0.000) 0.000 15.336 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 15.657 ( 0.000 0.000 0.000) 0.000 15.836 ( 0.000 0.000 0.000) 0.000 15.893 ( 0.000 -0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 16.088 ( 0.000 0.000 0.000) 0.000 17.439 ( 0.000 0.000 0.000) 0.000 17.604 ( 0.000 0.000 0.000) 0.000 17.821 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 18.163 ( 0.000 -0.000 0.000) 0.000 18.527 ( 0.000 0.000 0.000) 0.000 18.993 ( 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 3/24000 10.0 61.053 62.100 22.589 0.000 0.000 0.000 3/24000 20.0 28.435 29.764 9.365 0.000 0.000 0.000 3/24000 30.0 19.008 19.342 6.273 0.000 0.000 0.000 3/24000 40.0 15.497 15.055 4.735 0.000 0.000 0.000 3/24000 50.0 13.849 12.828 3.822 0.000 0.000 0.000 3/24000 60.0 12.778 11.392 3.219 0.000 0.000 0.000 3/24000 70.0 11.871 10.296 2.788 0.000 0.000 0.000 3/24000 80.0 11.018 9.376 2.461 0.000 0.000 0.000 3/24000 90.0 10.208 8.575 2.201 0.000 0.000 0.000 3/24000 100.0 9.452 7.869 1.989 0.000 0.000 0.000 3/24000 110.0 8.760 7.247 1.813 0.000 0.000 0.000 3/24000 120.0 8.134 6.700 1.664 0.000 0.000 0.000 3/24000 130.0 7.574 6.219 1.537 0.000 0.000 0.000 3/24000 140.0 7.075 5.795 1.428 0.000 0.000 0.000 3/24000 150.0 6.630 5.421 1.333 0.000 0.000 0.000 3/24000 160.0 6.233 5.089 1.250 0.000 0.000 0.000 3/24000 170.0 5.878 4.794 1.176 0.000 0.000 0.000 3/24000 180.0 5.559 4.531 1.111 0.000 0.000 0.000 3/24000 190.0 5.272 4.294 1.053 0.000 0.000 0.000 3/24000 200.0 5.013 4.081 1.000 0.000 0.000 0.000 3/24000 210.0 4.777 3.887 0.953 0.000 0.000 0.000 3/24000 220.0 4.563 3.711 0.910 0.000 0.000 0.000 3/24000 230.0 4.367 3.551 0.871 0.000 0.000 0.000 3/24000 240.0 4.187 3.403 0.835 0.000 0.000 0.000 3/24000 250.0 4.021 3.268 0.802 0.000 0.000 0.000 3/24000 260.0 3.868 3.143 0.771 0.000 0.000 0.000 3/24000 270.0 3.727 3.027 0.743 0.000 0.000 0.000 3/24000 280.0 3.595 2.920 0.717 0.000 0.000 0.000 3/24000 290.0 3.473 2.820 0.692 0.000 0.000 0.000 3/24000 300.0 3.358 2.726 0.670 0.000 0.000 0.000 3/24000 310.0 3.251 2.639 0.648 0.000 0.000 0.000 3/24000 320.0 3.151 2.557 0.628 0.000 0.000 0.000 3/24000 330.0 3.056 2.480 0.610 0.000 0.000 0.000 3/24000 340.0 2.968 2.408 0.592 0.000 0.000 0.000 3/24000 350.0 2.884 2.340 0.575 0.000 0.000 0.000 3/24000 360.0 2.805 2.275 0.560 0.000 0.000 0.000 3/24000 370.0 2.730 2.215 0.545 0.000 0.000 0.000 3/24000 380.0 2.659 2.157 0.531 0.000 0.000 0.000 3/24000 390.0 2.592 2.102 0.517 0.000 0.000 0.000 3/24000 400.0 2.528 2.050 0.504 0.000 0.000 0.000 3/24000 410.0 2.467 2.000 0.492 0.000 0.000 0.000 3/24000 420.0 2.409 1.953 0.481 0.000 0.000 0.000 3/24000 430.0 2.353 1.908 0.470 0.000 0.000 0.000 3/24000 440.0 2.301 1.865 0.459 0.000 0.000 0.000 3/24000 450.0 2.250 1.824 0.449 0.000 0.000 0.000 3/24000 460.0 2.202 1.785 0.440 0.000 0.000 0.000 3/24000 470.0 2.156 1.747 0.430 0.000 0.000 0.000 3/24000 480.0 2.111 1.711 0.421 0.000 0.000 0.000 3/24000 490.0 2.069 1.677 0.413 0.000 0.000 0.000 3/24000 500.0 2.028 1.643 0.405 0.000 0.000 0.000 3/24000 510.0 1.988 1.611 0.397 0.000 0.000 0.000 3/24000 520.0 1.951 1.581 0.389 0.000 0.000 0.000 3/24000 530.0 1.914 1.551 0.382 0.000 0.000 0.000 3/24000 540.0 1.879 1.523 0.375 0.000 0.000 0.000 3/24000 550.0 1.845 1.495 0.368 0.000 0.000 0.000 3/24000 560.0 1.813 1.469 0.362 0.000 0.000 0.000 3/24000 570.0 1.781 1.443 0.356 0.000 0.000 0.000 3/24000 580.0 1.751 1.419 0.350 0.000 0.000 0.000 3/24000 590.0 1.722 1.395 0.344 0.000 0.000 0.000 3/24000 600.0 1.693 1.372 0.338 0.000 0.000 0.000 3/24000 610.0 1.666 1.349 0.333 0.000 0.000 0.000 3/24000 620.0 1.639 1.328 0.327 0.000 0.000 0.000 3/24000 630.0 1.613 1.307 0.322 0.000 0.000 0.000 3/24000 640.0 1.588 1.287 0.317 0.000 0.000 0.000 3/24000 650.0 1.564 1.267 0.312 0.000 0.000 0.000 3/24000 660.0 1.541 1.248 0.308 0.000 0.000 0.000 3/24000 670.0 1.518 1.229 0.303 0.000 0.000 0.000 3/24000 680.0 1.496 1.211 0.299 0.000 0.000 0.000 3/24000 690.0 1.474 1.194 0.294 0.000 0.000 0.000 3/24000 700.0 1.453 1.177 0.290 0.000 0.000 0.000 3/24000 710.0 1.433 1.161 0.286 0.000 0.000 0.000 3/24000 720.0 1.413 1.145 0.282 0.000 0.000 0.000 3/24000 730.0 1.394 1.129 0.278 0.000 0.000 0.000 3/24000 740.0 1.376 1.114 0.275 0.000 0.000 0.000 3/24000 750.0 1.357 1.099 0.271 0.000 0.000 0.000 3/24000 760.0 1.340 1.085 0.268 0.000 0.000 0.000 3/24000 770.0 1.322 1.071 0.264 0.000 0.000 0.000 3/24000 780.0 1.306 1.057 0.261 0.000 0.000 0.000 3/24000 790.0 1.289 1.044 0.257 0.000 0.000 0.000 3/24000 800.0 1.273 1.031 0.254 0.000 0.000 0.000 3/24000 810.0 1.258 1.018 0.251 0.000 0.000 0.000 3/24000 820.0 1.242 1.006 0.248 0.000 0.000 0.000 3/24000 830.0 1.227 0.994 0.245 0.000 0.000 0.000 3/24000 840.0 1.213 0.982 0.242 0.000 0.000 0.000 3/24000 850.0 1.199 0.971 0.239 0.000 0.000 0.000 3/24000 860.0 1.185 0.959 0.237 0.000 0.000 0.000 3/24000 870.0 1.171 0.948 0.234 0.000 0.000 0.000 3/24000 880.0 1.158 0.938 0.231 0.000 0.000 0.000 3/24000 890.0 1.145 0.927 0.229 0.000 0.000 0.000 3/24000 900.0 1.133 0.917 0.226 0.000 0.000 0.000 3/24000 910.0 1.120 0.907 0.224 0.000 0.000 0.000 3/24000 920.0 1.108 0.897 0.221 0.000 0.000 0.000 3/24000 930.0 1.096 0.888 0.219 0.000 0.000 0.000 3/24000 940.0 1.085 0.878 0.217 0.000 0.000 0.000 3/24000 950.0 1.073 0.869 0.214 0.000 0.000 0.000 3/24000 960.0 1.062 0.860 0.212 0.000 0.000 0.000 3/24000 970.0 1.051 0.851 0.210 0.000 0.000 0.000 3/24000 980.0 1.041 0.843 0.208 0.000 0.000 0.000 3/24000 990.0 1.030 0.834 0.206 0.000 0.000 0.000 3/24000 1000.0 1.020 0.826 0.204 0.000 0.000 0.000 3/24000 Thermal conductivity related properties were written into "kappa-m11040.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:54:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|