----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:27:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.933176310000000 3.069425690000001 4.346002350000000 b 2.933176310000000 -3.069425690000001 4.346002350000000 c 2.933176310000000 3.069425690000001 -4.346002350000000 Atomic positions (fractional): *1 O 0.25034395560795 0.73203933157852 0.51830462402943 15.999 2 O 0.71373470754909 0.73203933157852 0.98169537597057 15.999 *3 O 0.24896234225900 0.72579775985885 0.97683541759985 15.999 4 O 0.24896234225900 0.27212692465915 0.52316458240015 15.999 5 O 0.75103765774100 0.72787307534085 0.47683541759985 15.999 6 O 0.28626529245091 0.26796066842148 0.01830462402943 15.999 7 O 0.75103765774100 0.27420224014115 0.02316458240015 15.999 8 O 0.74965604439205 0.26796066842148 0.48169537597057 15.999 *9 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 10 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 *11 Zn 0.90003059157562 0.15003059157562 0.75000000000000 65.380 12 Zn 0.09996940842438 0.84996940842438 0.25000000000000 65.380 *13 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 14 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.866352620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.138851380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.692004700000000 Atomic positions (fractional): *1 O 0.00000000000000 0.51830462402943 0.73203933157852 15.999 > 1 2 O 0.50000000000000 0.48169537597057 0.23203933157852 15.999 > 2 *3 O 0.72683541759985 0.25000000000000 0.99896234225900 15.999 > 3 4 O 0.27316458240015 0.25000000000000 0.99896234225900 15.999 > 4 5 O 0.72683541759985 0.75000000000000 0.00103765774100 15.999 > 5 6 O 0.50000000000000 0.51830462402943 0.76796066842148 15.999 > 6 7 O 0.27316458240015 0.75000000000000 0.00103765774100 15.999 > 7 8 O 0.00000000000000 0.48169537597057 0.26796066842148 15.999 > 8 9 O 0.50000000000000 0.01830462402943 0.23203933157852 15.999 > 1 10 O 0.00000000000000 0.98169537597057 0.73203933157852 15.999 > 2 11 O 0.22683541759985 0.75000000000000 0.49896234225900 15.999 > 3 12 O 0.77316458240015 0.75000000000000 0.49896234225900 15.999 > 4 13 O 0.22683541759985 0.25000000000000 0.50103765774100 15.999 > 5 14 O 0.00000000000000 0.01830462402943 0.26796066842148 15.999 > 6 15 O 0.77316458240015 0.25000000000000 0.50103765774100 15.999 > 7 16 O 0.50000000000000 0.98169537597057 0.76796066842148 15.999 > 8 *17 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 9 18 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 10 19 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 9 20 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 10 *21 Zn 0.00000000000000 0.75000000000000 0.15003059157562 65.380 > 11 22 Zn 0.00000000000000 0.25000000000000 0.84996940842438 65.380 > 12 *23 Zn 0.75000000000000 0.25000000000000 0.25000000000000 65.380 > 13 24 Zn 0.25000000000000 0.25000000000000 0.25000000000000 65.380 > 14 25 Zn 0.50000000000000 0.25000000000000 0.65003059157562 65.380 > 11 26 Zn 0.50000000000000 0.75000000000000 0.34996940842438 65.380 > 12 27 Zn 0.25000000000000 0.75000000000000 0.75000000000000 65.380 > 13 28 Zn 0.75000000000000 0.75000000000000 0.75000000000000 65.380 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.732705240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.277702760000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.692004700000000 Atomic positions (fractional): *1 O 0.00000000000000 0.25915231201471 0.73203933157852 15.999 > 1 2 O 0.50000000000000 0.25915231201471 0.73203933157852 15.999 > 1 3 O 0.00000000000000 0.75915231201471 0.73203933157852 15.999 > 1 4 O 0.50000000000000 0.75915231201471 0.73203933157852 15.999 > 1 5 O 0.25000000000000 0.24084768798529 0.23203933157852 15.999 > 2 6 O 0.75000000000000 0.24084768798529 0.23203933157852 15.999 > 2 7 O 0.25000000000000 0.74084768798529 0.23203933157852 15.999 > 2 8 O 0.75000000000000 0.74084768798529 0.23203933157852 15.999 > 2 *9 O 0.36341770879992 0.12500000000000 0.99896234225900 15.999 > 3 10 O 0.86341770879992 0.12500000000000 0.99896234225900 15.999 > 3 11 O 0.36341770879992 0.62500000000000 0.99896234225900 15.999 > 3 12 O 0.86341770879992 0.62500000000000 0.99896234225900 15.999 > 3 13 O 0.13658229120008 0.12500000000000 0.99896234225900 15.999 > 4 14 O 0.63658229120008 0.12500000000000 0.99896234225900 15.999 > 4 15 O 0.13658229120008 0.62500000000000 0.99896234225900 15.999 > 4 16 O 0.63658229120008 0.62500000000000 0.99896234225900 15.999 > 4 17 O 0.36341770879992 0.37500000000000 0.00103765774100 15.999 > 5 18 O 0.86341770879992 0.37500000000000 0.00103765774100 15.999 > 5 19 O 0.36341770879992 0.87500000000000 0.00103765774100 15.999 > 5 20 O 0.86341770879992 0.87500000000000 0.00103765774100 15.999 > 5 21 O 0.25000000000000 0.25915231201471 0.76796066842148 15.999 > 6 22 O 0.75000000000000 0.25915231201471 0.76796066842148 15.999 > 6 23 O 0.25000000000000 0.75915231201471 0.76796066842148 15.999 > 6 24 O 0.75000000000000 0.75915231201471 0.76796066842148 15.999 > 6 25 O 0.13658229120008 0.37500000000000 0.00103765774100 15.999 > 7 26 O 0.63658229120008 0.37500000000000 0.00103765774100 15.999 > 7 27 O 0.13658229120008 0.87500000000000 0.00103765774100 15.999 > 7 28 O 0.63658229120008 0.87500000000000 0.00103765774100 15.999 > 7 29 O 0.00000000000000 0.24084768798529 0.26796066842148 15.999 > 8 30 O 0.50000000000000 0.24084768798529 0.26796066842148 15.999 > 8 31 O 0.00000000000000 0.74084768798529 0.26796066842148 15.999 > 8 32 O 0.50000000000000 0.74084768798529 0.26796066842148 15.999 > 8 33 O 0.25000000000000 0.00915231201471 0.23203933157852 15.999 > 1 34 O 0.75000000000000 0.00915231201471 0.23203933157852 15.999 > 1 35 O 0.25000000000000 0.50915231201471 0.23203933157852 15.999 > 1 36 O 0.75000000000000 0.50915231201471 0.23203933157852 15.999 > 1 37 O 0.00000000000000 0.49084768798529 0.73203933157852 15.999 > 2 38 O 0.50000000000000 0.49084768798529 0.73203933157852 15.999 > 2 39 O 0.00000000000000 0.99084768798529 0.73203933157852 15.999 > 2 40 O 0.50000000000000 0.99084768798529 0.73203933157852 15.999 > 2 41 O 0.11341770879992 0.37500000000000 0.49896234225900 15.999 > 3 42 O 0.61341770879992 0.37500000000000 0.49896234225900 15.999 > 3 43 O 0.11341770879992 0.87500000000000 0.49896234225900 15.999 > 3 44 O 0.61341770879992 0.87500000000000 0.49896234225900 15.999 > 3 45 O 0.38658229120008 0.37500000000000 0.49896234225900 15.999 > 4 46 O 0.88658229120008 0.37500000000000 0.49896234225900 15.999 > 4 47 O 0.38658229120008 0.87500000000000 0.49896234225900 15.999 > 4 48 O 0.88658229120008 0.87500000000000 0.49896234225900 15.999 > 4 49 O 0.11341770879992 0.12500000000000 0.50103765774100 15.999 > 5 50 O 0.61341770879992 0.12500000000000 0.50103765774100 15.999 > 5 51 O 0.11341770879992 0.62500000000000 0.50103765774100 15.999 > 5 52 O 0.61341770879992 0.62500000000000 0.50103765774100 15.999 > 5 53 O 0.00000000000000 0.00915231201471 0.26796066842148 15.999 > 6 54 O 0.50000000000000 0.00915231201471 0.26796066842148 15.999 > 6 55 O 0.00000000000000 0.50915231201471 0.26796066842148 15.999 > 6 56 O 0.50000000000000 0.50915231201471 0.26796066842148 15.999 > 6 57 O 0.38658229120008 0.12500000000000 0.50103765774100 15.999 > 7 58 O 0.88658229120008 0.12500000000000 0.50103765774100 15.999 > 7 59 O 0.38658229120008 0.62500000000000 0.50103765774100 15.999 > 7 60 O 0.88658229120008 0.62500000000000 0.50103765774100 15.999 > 7 61 O 0.25000000000000 0.49084768798529 0.76796066842148 15.999 > 8 62 O 0.75000000000000 0.49084768798529 0.76796066842148 15.999 > 8 63 O 0.25000000000000 0.99084768798529 0.76796066842148 15.999 > 8 64 O 0.75000000000000 0.99084768798529 0.76796066842148 15.999 > 8 *65 Pt 0.25000000000000 0.00000000000000 0.00000000000000 195.084 > 9 66 Pt 0.75000000000000 0.00000000000000 0.00000000000000 195.084 > 9 67 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 9 68 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 9 69 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 10 70 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 10 71 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 10 72 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 10 73 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 9 74 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 9 75 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 9 76 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 9 77 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 10 78 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 10 79 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 10 80 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 10 *81 Zn 0.00000000000000 0.37500000000000 0.15003059157562 65.380 > 11 82 Zn 0.50000000000000 0.37500000000000 0.15003059157562 65.380 > 11 83 Zn 0.00000000000000 0.87500000000000 0.15003059157562 65.380 > 11 84 Zn 0.50000000000000 0.87500000000000 0.15003059157562 65.380 > 11 85 Zn 0.00000000000000 0.12500000000000 0.84996940842438 65.380 > 12 86 Zn 0.50000000000000 0.12500000000000 0.84996940842438 65.380 > 12 87 Zn 0.00000000000000 0.62500000000000 0.84996940842438 65.380 > 12 88 Zn 0.50000000000000 0.62500000000000 0.84996940842438 65.380 > 12 *89 Zn 0.37500000000000 0.12500000000000 0.25000000000000 65.380 > 13 90 Zn 0.87500000000000 0.12500000000000 0.25000000000000 65.380 > 13 91 Zn 0.37500000000000 0.62500000000000 0.25000000000000 65.380 > 13 92 Zn 0.87500000000000 0.62500000000000 0.25000000000000 65.380 > 13 93 Zn 0.12500000000000 0.12500000000000 0.25000000000000 65.380 > 14 94 Zn 0.62500000000000 0.12500000000000 0.25000000000000 65.380 > 14 95 Zn 0.12500000000000 0.62500000000000 0.25000000000000 65.380 > 14 96 Zn 0.62500000000000 0.62500000000000 0.25000000000000 65.380 > 14 97 Zn 0.25000000000000 0.12500000000000 0.65003059157562 65.380 > 11 98 Zn 0.75000000000000 0.12500000000000 0.65003059157562 65.380 > 11 99 Zn 0.25000000000000 0.62500000000000 0.65003059157562 65.380 > 11 100 Zn 0.75000000000000 0.62500000000000 0.65003059157562 65.380 > 11 101 Zn 0.25000000000000 0.37500000000000 0.34996940842438 65.380 > 12 102 Zn 0.75000000000000 0.37500000000000 0.34996940842438 65.380 > 12 103 Zn 0.25000000000000 0.87500000000000 0.34996940842438 65.380 > 12 104 Zn 0.75000000000000 0.87500000000000 0.34996940842438 65.380 > 12 105 Zn 0.12500000000000 0.37500000000000 0.75000000000000 65.380 > 13 106 Zn 0.62500000000000 0.37500000000000 0.75000000000000 65.380 > 13 107 Zn 0.12500000000000 0.87500000000000 0.75000000000000 65.380 > 13 108 Zn 0.62500000000000 0.87500000000000 0.75000000000000 65.380 > 13 109 Zn 0.37500000000000 0.37500000000000 0.75000000000000 65.380 > 14 110 Zn 0.87500000000000 0.37500000000000 0.75000000000000 65.380 > 14 111 Zn 0.37500000000000 0.87500000000000 0.75000000000000 65.380 > 14 112 Zn 0.87500000000000 0.87500000000000 0.75000000000000 65.380 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1299616 0.0000000 0.0000000 0.0000000 6.6808916 0.0000000 0.0000000 0.0000000 5.6996551 -------------------------- Born effective charges -------------------------- 1 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 0.1410699 0.0000000 0.0677431 -2.3493294 2 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 -0.1410699 0.0000000 -0.0677431 -2.3493294 3 O -1.7801642 0.0000000 0.1322195 0.0000000 -2.3365806 0.0000000 0.2301024 0.0000000 -1.0605783 4 O -1.7801642 0.0000000 -0.1322195 0.0000000 -2.3365806 0.0000000 -0.2301024 0.0000000 -1.0605783 5 O -1.7801642 0.0000000 -0.1322195 0.0000000 -2.3365806 0.0000000 -0.2301024 0.0000000 -1.0605783 6 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 -0.1410699 0.0000000 -0.0677431 -2.3493294 7 O -1.7801642 0.0000000 0.1322195 0.0000000 -2.3365806 0.0000000 0.2301024 0.0000000 -1.0605783 8 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 0.1410699 0.0000000 0.0677431 -2.3493294 9 Pt 1.2503889 0.0000000 0.0000000 0.0000000 3.6904368 0.0489994 0.0000000 0.0824297 2.1967753 10 Pt 1.2503889 0.0000000 0.0000000 0.0000000 3.6904368 -0.0489994 0.0000000 -0.0824297 2.1967753 11 Zn 2.6468054 0.0000000 0.0000000 0.0000000 1.9444942 0.0000000 0.0000000 0.0000000 2.4027567 12 Zn 2.6468054 0.0000000 0.0000000 0.0000000 1.9444942 0.0000000 0.0000000 0.0000000 2.4027567 13 Zn 2.2954024 0.0000000 0.8118378 0.0000000 2.2985234 0.0000000 1.0657616 0.0000000 2.2202833 14 Zn 2.2954024 0.0000000 -0.8118378 0.0000000 2.2985234 0.0000000 -1.0657616 0.0000000 2.2202833 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.020 Solver_block: 200 / 240 - Time: 1.033 Solver_block: 240 / 240 - Time: 0.477 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.547 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:27:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:27:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.933176310000000 3.069425690000001 4.346002350000000 b 2.933176310000000 -3.069425690000001 4.346002350000000 c 2.933176310000000 3.069425690000001 -4.346002350000000 Atomic positions (fractional): 1 O 0.25034395560795 0.73203933157852 0.51830462402943 15.999 2 O 0.71373470754909 0.73203933157852 0.98169537597057 15.999 3 O 0.24896234225900 0.72579775985885 0.97683541759985 15.999 4 O 0.24896234225900 0.27212692465915 0.52316458240015 15.999 5 O 0.75103765774100 0.72787307534085 0.47683541759985 15.999 6 O 0.28626529245091 0.26796066842148 0.01830462402943 15.999 7 O 0.75103765774100 0.27420224014115 0.02316458240015 15.999 8 O 0.74965604439205 0.26796066842148 0.48169537597057 15.999 9 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 10 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 11 Zn 0.90003059157562 0.15003059157562 0.75000000000000 65.380 12 Zn 0.09996940842438 0.84996940842438 0.25000000000000 65.380 13 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 14 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.732705240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.277702760000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.692004700000000 Atomic positions (fractional): 1 O 0.00000000000000 0.25915231201471 0.73203933157852 15.999 > 1 2 O 0.50000000000000 0.25915231201471 0.73203933157852 15.999 > 1 3 O 0.00000000000000 0.75915231201471 0.73203933157852 15.999 > 1 4 O 0.50000000000000 0.75915231201471 0.73203933157852 15.999 > 1 5 O 0.25000000000000 0.24084768798529 0.23203933157852 15.999 > 5 6 O 0.75000000000000 0.24084768798529 0.23203933157852 15.999 > 5 7 O 0.25000000000000 0.74084768798529 0.23203933157852 15.999 > 5 8 O 0.75000000000000 0.74084768798529 0.23203933157852 15.999 > 5 9 O 0.36341770879992 0.12500000000000 0.99896234225900 15.999 > 9 10 O 0.86341770879992 0.12500000000000 0.99896234225900 15.999 > 9 11 O 0.36341770879992 0.62500000000000 0.99896234225900 15.999 > 9 12 O 0.86341770879992 0.62500000000000 0.99896234225900 15.999 > 9 13 O 0.13658229120008 0.12500000000000 0.99896234225900 15.999 > 13 14 O 0.63658229120008 0.12500000000000 0.99896234225900 15.999 > 13 15 O 0.13658229120008 0.62500000000000 0.99896234225900 15.999 > 13 16 O 0.63658229120008 0.62500000000000 0.99896234225900 15.999 > 13 17 O 0.36341770879992 0.37500000000000 0.00103765774100 15.999 > 17 18 O 0.86341770879992 0.37500000000000 0.00103765774100 15.999 > 17 19 O 0.36341770879992 0.87500000000000 0.00103765774100 15.999 > 17 20 O 0.86341770879992 0.87500000000000 0.00103765774100 15.999 > 17 21 O 0.25000000000000 0.25915231201471 0.76796066842148 15.999 > 21 22 O 0.75000000000000 0.25915231201471 0.76796066842148 15.999 > 21 23 O 0.25000000000000 0.75915231201471 0.76796066842148 15.999 > 21 24 O 0.75000000000000 0.75915231201471 0.76796066842148 15.999 > 21 25 O 0.13658229120008 0.37500000000000 0.00103765774100 15.999 > 25 26 O 0.63658229120008 0.37500000000000 0.00103765774100 15.999 > 25 27 O 0.13658229120008 0.87500000000000 0.00103765774100 15.999 > 25 28 O 0.63658229120008 0.87500000000000 0.00103765774100 15.999 > 25 29 O 0.00000000000000 0.24084768798529 0.26796066842148 15.999 > 29 30 O 0.50000000000000 0.24084768798529 0.26796066842148 15.999 > 29 31 O 0.00000000000000 0.74084768798529 0.26796066842148 15.999 > 29 32 O 0.50000000000000 0.74084768798529 0.26796066842148 15.999 > 29 33 O 0.25000000000000 0.00915231201471 0.23203933157852 15.999 > 1 34 O 0.75000000000000 0.00915231201471 0.23203933157852 15.999 > 1 35 O 0.25000000000000 0.50915231201471 0.23203933157852 15.999 > 1 36 O 0.75000000000000 0.50915231201471 0.23203933157852 15.999 > 1 37 O 0.00000000000000 0.49084768798529 0.73203933157852 15.999 > 5 38 O 0.50000000000000 0.49084768798529 0.73203933157852 15.999 > 5 39 O 0.00000000000000 0.99084768798529 0.73203933157852 15.999 > 5 40 O 0.50000000000000 0.99084768798529 0.73203933157852 15.999 > 5 41 O 0.11341770879992 0.37500000000000 0.49896234225900 15.999 > 9 42 O 0.61341770879992 0.37500000000000 0.49896234225900 15.999 > 9 43 O 0.11341770879992 0.87500000000000 0.49896234225900 15.999 > 9 44 O 0.61341770879992 0.87500000000000 0.49896234225900 15.999 > 9 45 O 0.38658229120008 0.37500000000000 0.49896234225900 15.999 > 13 46 O 0.88658229120008 0.37500000000000 0.49896234225900 15.999 > 13 47 O 0.38658229120008 0.87500000000000 0.49896234225900 15.999 > 13 48 O 0.88658229120008 0.87500000000000 0.49896234225900 15.999 > 13 49 O 0.11341770879992 0.12500000000000 0.50103765774100 15.999 > 17 50 O 0.61341770879992 0.12500000000000 0.50103765774100 15.999 > 17 51 O 0.11341770879992 0.62500000000000 0.50103765774100 15.999 > 17 52 O 0.61341770879992 0.62500000000000 0.50103765774100 15.999 > 17 53 O 0.00000000000000 0.00915231201471 0.26796066842148 15.999 > 21 54 O 0.50000000000000 0.00915231201471 0.26796066842148 15.999 > 21 55 O 0.00000000000000 0.50915231201471 0.26796066842148 15.999 > 21 56 O 0.50000000000000 0.50915231201471 0.26796066842148 15.999 > 21 57 O 0.38658229120008 0.12500000000000 0.50103765774100 15.999 > 25 58 O 0.88658229120008 0.12500000000000 0.50103765774100 15.999 > 25 59 O 0.38658229120008 0.62500000000000 0.50103765774100 15.999 > 25 60 O 0.88658229120008 0.62500000000000 0.50103765774100 15.999 > 25 61 O 0.25000000000000 0.49084768798529 0.76796066842148 15.999 > 29 62 O 0.75000000000000 0.49084768798529 0.76796066842148 15.999 > 29 63 O 0.25000000000000 0.99084768798529 0.76796066842148 15.999 > 29 64 O 0.75000000000000 0.99084768798529 0.76796066842148 15.999 > 29 65 Pt 0.25000000000000 0.00000000000000 0.00000000000000 195.084 > 65 66 Pt 0.75000000000000 0.00000000000000 0.00000000000000 195.084 > 65 67 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 65 68 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 65 69 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 69 70 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 69 71 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 69 72 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 69 73 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 65 74 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 65 75 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 65 76 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 65 77 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 69 78 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 69 79 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 69 80 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 69 81 Zn 0.00000000000000 0.37500000000000 0.15003059157562 65.380 > 81 82 Zn 0.50000000000000 0.37500000000000 0.15003059157562 65.380 > 81 83 Zn 0.00000000000000 0.87500000000000 0.15003059157562 65.380 > 81 84 Zn 0.50000000000000 0.87500000000000 0.15003059157562 65.380 > 81 85 Zn 0.00000000000000 0.12500000000000 0.84996940842438 65.380 > 85 86 Zn 0.50000000000000 0.12500000000000 0.84996940842438 65.380 > 85 87 Zn 0.00000000000000 0.62500000000000 0.84996940842438 65.380 > 85 88 Zn 0.50000000000000 0.62500000000000 0.84996940842438 65.380 > 85 89 Zn 0.37500000000000 0.12500000000000 0.25000000000000 65.380 > 89 90 Zn 0.87500000000000 0.12500000000000 0.25000000000000 65.380 > 89 91 Zn 0.37500000000000 0.62500000000000 0.25000000000000 65.380 > 89 92 Zn 0.87500000000000 0.62500000000000 0.25000000000000 65.380 > 89 93 Zn 0.12500000000000 0.12500000000000 0.25000000000000 65.380 > 93 94 Zn 0.62500000000000 0.12500000000000 0.25000000000000 65.380 > 93 95 Zn 0.12500000000000 0.62500000000000 0.25000000000000 65.380 > 93 96 Zn 0.62500000000000 0.62500000000000 0.25000000000000 65.380 > 93 97 Zn 0.25000000000000 0.12500000000000 0.65003059157562 65.380 > 81 98 Zn 0.75000000000000 0.12500000000000 0.65003059157562 65.380 > 81 99 Zn 0.25000000000000 0.62500000000000 0.65003059157562 65.380 > 81 100 Zn 0.75000000000000 0.62500000000000 0.65003059157562 65.380 > 81 101 Zn 0.25000000000000 0.37500000000000 0.34996940842438 65.380 > 85 102 Zn 0.75000000000000 0.37500000000000 0.34996940842438 65.380 > 85 103 Zn 0.25000000000000 0.87500000000000 0.34996940842438 65.380 > 85 104 Zn 0.75000000000000 0.87500000000000 0.34996940842438 65.380 > 85 105 Zn 0.12500000000000 0.37500000000000 0.75000000000000 65.380 > 89 106 Zn 0.62500000000000 0.37500000000000 0.75000000000000 65.380 > 89 107 Zn 0.12500000000000 0.87500000000000 0.75000000000000 65.380 > 89 108 Zn 0.62500000000000 0.87500000000000 0.75000000000000 65.380 > 89 109 Zn 0.37500000000000 0.37500000000000 0.75000000000000 65.380 > 93 110 Zn 0.87500000000000 0.37500000000000 0.75000000000000 65.380 > 93 111 Zn 0.37500000000000 0.87500000000000 0.75000000000000 65.380 > 93 112 Zn 0.87500000000000 0.87500000000000 0.75000000000000 65.380 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1299616 0.0000000 0.0000000 0.0000000 6.6808916 0.0000000 0.0000000 0.0000000 5.6996551 -------------------------- Born effective charges -------------------------- 1 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 0.1410699 0.0000000 0.0677431 -2.3493294 2 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 -0.1410699 0.0000000 -0.0677431 -2.3493294 3 O -1.7801642 0.0000000 0.1322195 0.0000000 -2.3365806 0.0000000 0.2301024 0.0000000 -1.0605783 4 O -1.7801642 0.0000000 -0.1322195 0.0000000 -2.3365806 0.0000000 -0.2301024 0.0000000 -1.0605783 5 O -1.7801642 0.0000000 -0.1322195 0.0000000 -2.3365806 0.0000000 -0.2301024 0.0000000 -1.0605783 6 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 -0.1410699 0.0000000 -0.0677431 -2.3493294 7 O -1.7801642 0.0000000 0.1322195 0.0000000 -2.3365806 0.0000000 0.2301024 0.0000000 -1.0605783 8 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 0.1410699 0.0000000 0.0677431 -2.3493294 9 Pt 1.2503889 0.0000000 0.0000000 0.0000000 3.6904368 0.0489994 0.0000000 0.0824297 2.1967753 10 Pt 1.2503889 0.0000000 0.0000000 0.0000000 3.6904368 -0.0489994 0.0000000 -0.0824297 2.1967753 11 Zn 2.6468054 0.0000000 0.0000000 0.0000000 1.9444942 0.0000000 0.0000000 0.0000000 2.4027567 12 Zn 2.6468054 0.0000000 0.0000000 0.0000000 1.9444942 0.0000000 0.0000000 0.0000000 2.4027567 13 Zn 2.2954024 0.0000000 0.8118378 0.0000000 2.2985234 0.0000000 1.0657616 0.0000000 2.2202833 14 Zn 2.2954024 0.0000000 -0.8118378 0.0000000 2.2985234 0.0000000 -1.0657616 0.0000000 2.2202833 ---------------------------------------------------------------------------- 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[ 9, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, 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: -0.00000005 (yxx) -0.00000005 (yxx) -0.00000005 (yxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:27:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:27:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.933176310000000 3.069425690000001 4.346002350000000 b 2.933176310000000 -3.069425690000001 4.346002350000000 c 2.933176310000000 3.069425690000001 -4.346002350000000 Atomic positions (fractional): 1 O 0.25034395560795 0.73203933157852 0.51830462402943 15.999 2 O 0.71373470754909 0.73203933157852 0.98169537597057 15.999 3 O 0.24896234225900 0.72579775985885 0.97683541759985 15.999 4 O 0.24896234225900 0.27212692465915 0.52316458240015 15.999 5 O 0.75103765774100 0.72787307534085 0.47683541759985 15.999 6 O 0.28626529245091 0.26796066842148 0.01830462402943 15.999 7 O 0.75103765774100 0.27420224014115 0.02316458240015 15.999 8 O 0.74965604439205 0.26796066842148 0.48169537597057 15.999 9 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 10 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 11 Zn 0.90003059157562 0.15003059157562 0.75000000000000 65.380 12 Zn 0.09996940842438 0.84996940842438 0.25000000000000 65.380 13 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 14 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.732705240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.277702760000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.692004700000000 Atomic positions (fractional): 1 O 0.00000000000000 0.25915231201471 0.73203933157852 15.999 > 1 2 O 0.50000000000000 0.25915231201471 0.73203933157852 15.999 > 1 3 O 0.00000000000000 0.75915231201471 0.73203933157852 15.999 > 1 4 O 0.50000000000000 0.75915231201471 0.73203933157852 15.999 > 1 5 O 0.25000000000000 0.24084768798529 0.23203933157852 15.999 > 5 6 O 0.75000000000000 0.24084768798529 0.23203933157852 15.999 > 5 7 O 0.25000000000000 0.74084768798529 0.23203933157852 15.999 > 5 8 O 0.75000000000000 0.74084768798529 0.23203933157852 15.999 > 5 9 O 0.36341770879992 0.12500000000000 0.99896234225900 15.999 > 9 10 O 0.86341770879992 0.12500000000000 0.99896234225900 15.999 > 9 11 O 0.36341770879992 0.62500000000000 0.99896234225900 15.999 > 9 12 O 0.86341770879992 0.62500000000000 0.99896234225900 15.999 > 9 13 O 0.13658229120008 0.12500000000000 0.99896234225900 15.999 > 13 14 O 0.63658229120008 0.12500000000000 0.99896234225900 15.999 > 13 15 O 0.13658229120008 0.62500000000000 0.99896234225900 15.999 > 13 16 O 0.63658229120008 0.62500000000000 0.99896234225900 15.999 > 13 17 O 0.36341770879992 0.37500000000000 0.00103765774100 15.999 > 17 18 O 0.86341770879992 0.37500000000000 0.00103765774100 15.999 > 17 19 O 0.36341770879992 0.87500000000000 0.00103765774100 15.999 > 17 20 O 0.86341770879992 0.87500000000000 0.00103765774100 15.999 > 17 21 O 0.25000000000000 0.25915231201471 0.76796066842148 15.999 > 21 22 O 0.75000000000000 0.25915231201471 0.76796066842148 15.999 > 21 23 O 0.25000000000000 0.75915231201471 0.76796066842148 15.999 > 21 24 O 0.75000000000000 0.75915231201471 0.76796066842148 15.999 > 21 25 O 0.13658229120008 0.37500000000000 0.00103765774100 15.999 > 25 26 O 0.63658229120008 0.37500000000000 0.00103765774100 15.999 > 25 27 O 0.13658229120008 0.87500000000000 0.00103765774100 15.999 > 25 28 O 0.63658229120008 0.87500000000000 0.00103765774100 15.999 > 25 29 O 0.00000000000000 0.24084768798529 0.26796066842148 15.999 > 29 30 O 0.50000000000000 0.24084768798529 0.26796066842148 15.999 > 29 31 O 0.00000000000000 0.74084768798529 0.26796066842148 15.999 > 29 32 O 0.50000000000000 0.74084768798529 0.26796066842148 15.999 > 29 33 O 0.25000000000000 0.00915231201471 0.23203933157852 15.999 > 1 34 O 0.75000000000000 0.00915231201471 0.23203933157852 15.999 > 1 35 O 0.25000000000000 0.50915231201471 0.23203933157852 15.999 > 1 36 O 0.75000000000000 0.50915231201471 0.23203933157852 15.999 > 1 37 O 0.00000000000000 0.49084768798529 0.73203933157852 15.999 > 5 38 O 0.50000000000000 0.49084768798529 0.73203933157852 15.999 > 5 39 O 0.00000000000000 0.99084768798529 0.73203933157852 15.999 > 5 40 O 0.50000000000000 0.99084768798529 0.73203933157852 15.999 > 5 41 O 0.11341770879992 0.37500000000000 0.49896234225900 15.999 > 9 42 O 0.61341770879992 0.37500000000000 0.49896234225900 15.999 > 9 43 O 0.11341770879992 0.87500000000000 0.49896234225900 15.999 > 9 44 O 0.61341770879992 0.87500000000000 0.49896234225900 15.999 > 9 45 O 0.38658229120008 0.37500000000000 0.49896234225900 15.999 > 13 46 O 0.88658229120008 0.37500000000000 0.49896234225900 15.999 > 13 47 O 0.38658229120008 0.87500000000000 0.49896234225900 15.999 > 13 48 O 0.88658229120008 0.87500000000000 0.49896234225900 15.999 > 13 49 O 0.11341770879992 0.12500000000000 0.50103765774100 15.999 > 17 50 O 0.61341770879992 0.12500000000000 0.50103765774100 15.999 > 17 51 O 0.11341770879992 0.62500000000000 0.50103765774100 15.999 > 17 52 O 0.61341770879992 0.62500000000000 0.50103765774100 15.999 > 17 53 O 0.00000000000000 0.00915231201471 0.26796066842148 15.999 > 21 54 O 0.50000000000000 0.00915231201471 0.26796066842148 15.999 > 21 55 O 0.00000000000000 0.50915231201471 0.26796066842148 15.999 > 21 56 O 0.50000000000000 0.50915231201471 0.26796066842148 15.999 > 21 57 O 0.38658229120008 0.12500000000000 0.50103765774100 15.999 > 25 58 O 0.88658229120008 0.12500000000000 0.50103765774100 15.999 > 25 59 O 0.38658229120008 0.62500000000000 0.50103765774100 15.999 > 25 60 O 0.88658229120008 0.62500000000000 0.50103765774100 15.999 > 25 61 O 0.25000000000000 0.49084768798529 0.76796066842148 15.999 > 29 62 O 0.75000000000000 0.49084768798529 0.76796066842148 15.999 > 29 63 O 0.25000000000000 0.99084768798529 0.76796066842148 15.999 > 29 64 O 0.75000000000000 0.99084768798529 0.76796066842148 15.999 > 29 65 Pt 0.25000000000000 0.00000000000000 0.00000000000000 195.084 > 65 66 Pt 0.75000000000000 0.00000000000000 0.00000000000000 195.084 > 65 67 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 65 68 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 65 69 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 69 70 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 69 71 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 69 72 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 69 73 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 65 74 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 65 75 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 65 76 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 65 77 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 69 78 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 69 79 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 69 80 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 69 81 Zn 0.00000000000000 0.37500000000000 0.15003059157562 65.380 > 81 82 Zn 0.50000000000000 0.37500000000000 0.15003059157562 65.380 > 81 83 Zn 0.00000000000000 0.87500000000000 0.15003059157562 65.380 > 81 84 Zn 0.50000000000000 0.87500000000000 0.15003059157562 65.380 > 81 85 Zn 0.00000000000000 0.12500000000000 0.84996940842438 65.380 > 85 86 Zn 0.50000000000000 0.12500000000000 0.84996940842438 65.380 > 85 87 Zn 0.00000000000000 0.62500000000000 0.84996940842438 65.380 > 85 88 Zn 0.50000000000000 0.62500000000000 0.84996940842438 65.380 > 85 89 Zn 0.37500000000000 0.12500000000000 0.25000000000000 65.380 > 89 90 Zn 0.87500000000000 0.12500000000000 0.25000000000000 65.380 > 89 91 Zn 0.37500000000000 0.62500000000000 0.25000000000000 65.380 > 89 92 Zn 0.87500000000000 0.62500000000000 0.25000000000000 65.380 > 89 93 Zn 0.12500000000000 0.12500000000000 0.25000000000000 65.380 > 93 94 Zn 0.62500000000000 0.12500000000000 0.25000000000000 65.380 > 93 95 Zn 0.12500000000000 0.62500000000000 0.25000000000000 65.380 > 93 96 Zn 0.62500000000000 0.62500000000000 0.25000000000000 65.380 > 93 97 Zn 0.25000000000000 0.12500000000000 0.65003059157562 65.380 > 81 98 Zn 0.75000000000000 0.12500000000000 0.65003059157562 65.380 > 81 99 Zn 0.25000000000000 0.62500000000000 0.65003059157562 65.380 > 81 100 Zn 0.75000000000000 0.62500000000000 0.65003059157562 65.380 > 81 101 Zn 0.25000000000000 0.37500000000000 0.34996940842438 65.380 > 85 102 Zn 0.75000000000000 0.37500000000000 0.34996940842438 65.380 > 85 103 Zn 0.25000000000000 0.87500000000000 0.34996940842438 65.380 > 85 104 Zn 0.75000000000000 0.87500000000000 0.34996940842438 65.380 > 85 105 Zn 0.12500000000000 0.37500000000000 0.75000000000000 65.380 > 89 106 Zn 0.62500000000000 0.37500000000000 0.75000000000000 65.380 > 89 107 Zn 0.12500000000000 0.87500000000000 0.75000000000000 65.380 > 89 108 Zn 0.62500000000000 0.87500000000000 0.75000000000000 65.380 > 89 109 Zn 0.37500000000000 0.37500000000000 0.75000000000000 65.380 > 93 110 Zn 0.87500000000000 0.37500000000000 0.75000000000000 65.380 > 93 111 Zn 0.37500000000000 0.87500000000000 0.75000000000000 65.380 > 93 112 Zn 0.87500000000000 0.87500000000000 0.75000000000000 65.380 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1299616 0.0000000 0.0000000 0.0000000 6.6808916 0.0000000 0.0000000 0.0000000 5.6996551 -------------------------- Born effective charges -------------------------- 1 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 0.1410699 0.0000000 0.0677431 -2.3493294 2 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 -0.1410699 0.0000000 -0.0677431 -2.3493294 3 O -1.7801642 0.0000000 0.1322195 0.0000000 -2.3365806 0.0000000 0.2301024 0.0000000 -1.0605783 4 O -1.7801642 0.0000000 -0.1322195 0.0000000 -2.3365806 0.0000000 -0.2301024 0.0000000 -1.0605783 5 O -1.7801642 0.0000000 -0.1322195 0.0000000 -2.3365806 0.0000000 -0.2301024 0.0000000 -1.0605783 6 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 -0.1410699 0.0000000 -0.0677431 -2.3493294 7 O -1.7801642 0.0000000 0.1322195 0.0000000 -2.3365806 0.0000000 0.2301024 0.0000000 -1.0605783 8 O -1.3161341 0.0000000 0.0000000 0.0000000 -1.6301466 0.1410699 0.0000000 0.0677431 -2.3493294 9 Pt 1.2503889 0.0000000 0.0000000 0.0000000 3.6904368 0.0489994 0.0000000 0.0824297 2.1967753 10 Pt 1.2503889 0.0000000 0.0000000 0.0000000 3.6904368 -0.0489994 0.0000000 -0.0824297 2.1967753 11 Zn 2.6468054 0.0000000 0.0000000 0.0000000 1.9444942 0.0000000 0.0000000 0.0000000 2.4027567 12 Zn 2.6468054 0.0000000 0.0000000 0.0000000 1.9444942 0.0000000 0.0000000 0.0000000 2.4027567 13 Zn 2.2954024 0.0000000 0.8118378 0.0000000 2.2985234 0.0000000 1.0657616 0.0000000 2.2202833 14 Zn 2.2954024 0.0000000 -0.8118378 0.0000000 2.2985234 0.0000000 -1.0657616 0.0000000 2.2202833 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yxx) -0.00000005 (yxx) -0.00000005 (yxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 6 144 ] Grid generation matrix: [ 0 9 9 ] [ 8 0 8 ] [ 6 6 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.77, Number of G-points: 315, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.767 ( 0.000 0.000 0.000) 0.000 7.853 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 12.146 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 0.000) 0.000 13.802 ( 0.000 0.000 0.000) 0.000 13.964 ( 0.000 0.000 0.000) 0.000 14.309 ( 0.000 0.000 0.000) 0.000 15.276 ( 0.000 0.000 0.000) 0.000 15.745 ( 0.000 0.000 0.000) 0.000 15.877 ( 0.000 0.000 0.000) 0.000 15.993 ( 0.000 0.000 0.000) 0.000 16.025 ( 0.000 0.000 0.000) 0.000 16.435 ( 0.000 0.000 0.000) 0.000 16.911 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.022 ( 0.000 0.000 0.000) 0.000 17.244 ( 0.000 0.000 0.000) 0.000 17.574 ( 0.000 0.000 0.000) 0.000 17.898 ( 0.000 0.000 0.000) 0.000 18.489 ( 0.000 0.000 0.000) 0.000 18.517 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.50 -0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -6.930 18.282 -2.531) 19.714 2.696 ( -4.673 2.843 -0.612) 5.504 3.088 ( -5.654 15.203 -2.166) 16.364 3.314 ( -3.354 -14.989 -4.208) 15.926 3.670 ( -12.205 -4.579 -3.524) 13.504 3.906 ( -3.090 -0.133 0.829) 3.202 3.985 ( 2.715 -0.440 -7.367) 7.864 4.074 ( -3.414 -6.562 -1.857) 7.627 4.321 ( 2.902 8.320 -0.177) 8.813 4.583 ( 10.111 -0.019 -2.182) 10.343 5.041 ( -7.016 -8.553 5.976) 12.573 5.198 ( -0.945 27.688 10.489) 29.623 5.626 ( -8.211 -15.797 0.807) 17.821 6.134 ( -10.318 0.940 2.383) 10.631 6.202 ( 5.955 19.572 -4.113) 20.867 6.334 ( 1.244 -2.302 -1.824) 3.190 6.591 ( -6.856 -14.898 1.734) 16.491 7.748 ( 21.411 -2.139 1.771) 21.590 9.588 ( -23.047 2.395 6.068) 23.952 10.222 ( 4.456 22.904 2.193) 23.436 10.930 ( -21.060 -6.572 -6.579) 23.022 11.178 ( -7.354 12.174 -4.371) 14.879 11.511 ( -0.855 -15.740 0.868) 15.787 12.402 ( -19.270 -10.023 -1.428) 21.767 12.782 ( 22.839 -6.077 4.155) 23.996 13.641 ( 15.592 7.743 -0.337) 17.412 14.149 ( -7.918 9.298 0.271) 12.216 14.592 ( 6.854 -7.724 0.970) 10.372 15.449 ( -8.141 -5.504 0.754) 9.856 15.454 ( -8.079 6.408 0.846) 10.346 15.675 ( -6.305 -6.067 0.529) 8.766 15.893 ( 1.075 3.011 -0.554) 3.245 16.092 ( 8.791 -1.201 0.219) 8.876 16.156 ( 10.759 2.349 0.609) 11.029 16.980 ( -0.790 9.140 -0.578) 9.192 17.037 ( 0.362 -10.594 -1.162) 10.664 17.542 ( -3.838 -7.071 2.383) 8.391 17.855 ( 4.717 0.527 -1.813) 5.081 17.959 ( 1.910 0.760 -0.348) 2.085 18.117 ( 8.176 -2.332 -1.927) 8.717 18.287 ( -1.492 -1.481 -1.917) 2.845 18.479 ( 4.905 2.403 1.982) 5.810 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 14.265 0.000 13.191) 19.429 1.616 ( 12.813 0.000 11.501) 17.218 2.806 ( 1.886 -0.000 -7.531) 7.764 3.201 ( -14.808 -0.000 -4.881) 15.592 3.231 ( 27.736 0.000 23.623) 36.433 3.786 ( 0.990 -0.000 -7.229) 7.297 3.920 ( 2.239 -0.000 -10.105) 10.350 4.111 ( -0.018 0.000 3.599) 3.599 4.123 ( -1.640 -0.000 -1.679) 2.347 4.511 ( 10.178 -0.000 -4.046) 10.952 4.857 ( -1.120 0.000 4.125) 4.274 5.137 ( 4.263 0.000 11.312) 12.088 5.187 ( -7.007 0.000 9.717) 11.980 6.310 ( 15.932 -0.000 -7.064) 17.427 6.456 ( 11.215 -0.000 -14.015) 17.949 7.469 ( -19.825 0.000 2.917) 20.038 7.570 ( -8.832 0.000 7.034) 11.291 8.372 ( -4.591 -0.000 -2.286) 5.128 8.785 ( 1.736 0.000 3.665) 4.055 9.474 ( 46.899 0.000 13.661) 48.848 9.545 ( 4.163 0.000 6.384) 7.622 11.787 ( 6.763 -0.000 -8.797) 11.096 12.270 ( -9.916 0.000 2.681) 10.272 12.717 ( -1.285 -0.000 -0.301) 1.320 13.139 ( 10.857 -0.000 -11.673) 15.942 13.312 ( -10.000 -0.000 -5.028) 11.193 13.671 ( -10.200 0.000 8.938) 13.562 14.021 ( -4.298 -0.000 -4.637) 6.322 15.417 ( 3.292 -0.000 -0.757) 3.378 15.909 ( 3.537 0.000 1.956) 4.041 16.035 ( 3.321 0.000 0.108) 3.323 16.049 ( 1.391 0.000 0.668) 1.543 16.328 ( 0.544 0.000 2.483) 2.542 16.367 ( -2.099 0.000 0.050) 2.100 16.797 ( -1.397 -0.000 -3.139) 3.436 16.850 ( 2.043 -0.000 -1.678) 2.644 17.158 ( -15.153 0.000 1.089) 15.192 17.292 ( -4.311 0.000 6.148) 7.509 17.683 ( -0.715 -0.000 -6.880) 6.917 17.778 ( 2.938 -0.000 -6.469) 7.105 18.403 ( -3.129 -0.000 -1.438) 3.444 19.116 ( -1.073 0.000 4.313) 4.444 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -0.000 0.000 0.000) 0.000 2.245 ( -0.000 -0.000 -0.000) 0.000 2.606 ( 0.000 -0.000 -0.000) 0.000 2.647 ( 0.000 -0.000 -0.000) 0.000 3.106 ( 0.000 -0.000 -0.000) 0.000 3.903 ( -0.000 -0.000 -0.000) 0.000 4.029 ( -0.000 -0.000 -0.000) 0.000 4.398 ( -0.000 -0.000 -0.000) 0.000 4.437 ( 0.000 -0.000 -0.000) 0.000 4.495 ( 0.000 -0.000 -0.000) 0.000 5.047 ( 0.000 -0.000 -0.000) 0.000 5.173 ( -0.000 -0.000 -0.000) 0.000 5.634 ( -0.000 0.000 0.000) 0.000 5.777 ( 0.000 -0.000 -0.000) 0.000 5.927 ( -0.000 -0.000 -0.000) 0.000 6.573 ( -0.000 0.000 -0.000) 0.000 6.676 ( 0.000 -0.000 -0.000) 0.000 8.428 ( 0.000 -0.000 -0.000) 0.000 8.518 ( -0.000 -0.000 -0.000) 0.000 10.022 ( -0.000 0.000 -0.000) 0.000 10.688 ( 0.000 -0.000 -0.000) 0.000 10.820 ( -0.000 0.000 -0.000) 0.000 11.444 ( 0.000 -0.000 -0.000) 0.000 11.738 ( -0.000 0.000 -0.000) 0.000 13.693 ( -0.000 -0.000 -0.000) 0.000 13.736 ( -0.000 -0.000 -0.000) 0.000 14.065 ( 0.000 -0.000 -0.000) 0.000 14.889 ( -0.000 -0.000 -0.000) 0.000 15.082 ( -0.000 0.000 -0.000) 0.000 15.100 ( 0.000 -0.000 -0.000) 0.000 15.506 ( 0.000 -0.000 -0.000) 0.000 15.894 ( 0.000 -0.000 -0.000) 0.000 16.562 ( -0.000 0.000 0.000) 0.000 16.668 ( 0.000 -0.000 -0.000) 0.000 16.925 ( 0.000 -0.000 -0.000) 0.000 16.962 ( -0.000 0.000 -0.000) 0.000 17.610 ( -0.000 -0.000 -0.000) 0.000 17.794 ( -0.000 -0.000 -0.000) 0.000 17.979 ( 0.000 -0.000 -0.000) 0.000 18.260 ( 0.000 -0.000 0.000) 0.000 18.262 ( -0.000 0.000 -0.000) 0.000 18.876 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 7 (5/160) ======================= q-point: (-0.38 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -10.856 -18.146 -13.067) 24.857 2.133 ( -9.598 -10.224 -17.830) 22.684 2.672 ( -4.603 1.475 2.183) 5.304 2.872 ( -5.069 14.507 5.813) 16.430 3.406 ( -5.155 15.784 0.676) 16.618 3.888 ( 3.453 -9.952 -2.544) 10.837 3.934 ( -0.323 -0.014 1.234) 1.275 4.283 ( 6.095 -5.024 0.875) 7.947 4.350 ( 3.422 -3.630 -11.808) 12.819 4.643 ( -1.849 9.757 7.399) 12.384 4.913 ( -6.286 -16.991 3.626) 18.475 5.020 ( -1.892 -10.074 -5.867) 11.811 5.355 ( -5.106 -9.726 -6.218) 12.623 5.934 ( -1.135 0.335 2.594) 2.851 6.135 ( 0.498 -12.158 -7.491) 14.290 6.533 ( -1.153 36.400 8.848) 37.478 7.117 ( 3.543 24.170 1.016) 24.450 8.375 ( 7.539 -1.602 0.242) 7.711 8.646 ( -21.387 -3.865 -8.732) 23.422 9.806 ( -1.107 -19.328 -3.480) 19.670 10.552 ( -2.561 -21.981 -9.994) 24.282 10.834 ( -4.151 9.664 -2.413) 10.791 11.733 ( -1.731 20.086 8.636) 21.932 11.914 ( -5.635 9.904 8.333) 14.117 13.424 ( 8.897 -10.871 -2.130) 14.208 13.772 ( -4.023 -6.541 -0.955) 7.738 14.020 ( 4.216 0.175 -2.410) 4.859 14.747 ( 3.040 -9.938 3.737) 11.044 14.978 ( -6.117 -4.201 0.431) 7.433 15.454 ( -4.942 16.344 0.200) 17.076 15.581 ( -1.628 5.317 2.762) 6.209 15.975 ( 0.240 6.934 -3.275) 7.672 16.470 ( 6.461 -0.079 -1.087) 6.553 16.652 ( 9.818 2.311 1.083) 10.145 16.720 ( -0.166 -11.284 0.511) 11.297 17.086 ( -3.684 4.033 1.360) 5.629 17.519 ( -0.489 -8.589 5.875) 10.418 17.800 ( -0.473 -1.330 2.792) 3.128 17.893 ( 2.031 -6.346 -1.060) 6.747 18.064 ( 0.849 -9.492 0.697) 9.555 18.374 ( 2.164 5.051 -0.838) 5.558 18.882 ( 4.705 5.147 1.779) 7.197 ======================= Grid point 8 (6/160) ======================= q-point: ( 0.12 -0.45 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -12.781 5.957 -1.310) 14.162 2.072 ( -12.536 19.665 -6.618) 24.242 2.820 ( -0.424 -0.165 9.152) 9.163 3.019 ( 7.596 5.214 5.815) 10.896 3.743 ( -8.505 3.535 -9.127) 12.967 3.818 ( -3.232 0.145 4.487) 5.532 3.915 ( -3.055 -0.157 5.993) 6.729 4.104 ( -1.825 1.469 -3.676) 4.359 4.255 ( 0.990 11.806 1.246) 11.913 4.613 ( -1.848 -8.764 1.490) 9.080 4.711 ( -3.306 -4.267 -2.537) 5.964 5.011 ( 4.143 -5.037 -6.704) 9.353 5.336 ( -4.442 6.569 -6.907) 10.516 6.481 ( -6.326 -4.994 5.867) 9.969 6.609 ( -5.293 -1.839 9.664) 11.171 7.110 ( 12.493 -1.482 -3.579) 13.079 7.373 ( 4.429 -5.279 -7.070) 9.873 8.115 ( 3.715 -17.523 0.541) 17.921 8.960 ( -2.608 12.308 -0.725) 12.602 9.735 ( -6.071 9.873 -4.097) 12.293 10.367 ( -35.078 5.907 -5.394) 35.979 11.779 ( -0.590 -6.931 6.909) 9.804 12.034 ( 18.951 4.414 1.365) 19.506 12.595 ( 4.392 -6.417 -3.769) 8.641 13.135 ( 5.836 -6.926 -1.223) 9.139 13.295 ( -5.091 5.741 3.626) 8.487 13.550 ( -0.588 0.160 -2.306) 2.385 14.082 ( 4.577 11.744 2.895) 12.933 15.448 ( -2.052 -1.247 -0.141) 2.406 15.912 ( -0.861 -4.145 0.800) 4.309 16.063 ( -1.295 -1.461 -0.812) 2.115 16.143 ( -2.333 3.038 -4.312) 5.767 16.207 ( 0.926 -8.331 0.305) 8.388 16.345 ( -3.056 -2.027 2.657) 4.529 16.553 ( 6.184 -13.023 1.133) 14.461 17.042 ( 1.968 14.119 -0.678) 14.272 17.166 ( 1.483 13.258 -0.617) 13.355 17.280 ( 3.965 6.439 -5.467) 9.331 17.632 ( 0.410 -2.379 8.126) 8.477 17.860 ( -0.059 3.780 4.006) 5.508 18.354 ( 1.412 -0.355 1.380) 2.006 19.011 ( 0.703 -8.576 -4.289) 9.614 ======================= Grid point 9 (7/160) ======================= q-point: (-0.38 0.22 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 10.471 -22.765 0.153) 25.058 2.103 ( 20.979 -21.999 -4.883) 30.788 2.888 ( 3.241 -2.710 3.520) 5.499 3.430 ( 10.774 9.796 10.287) 17.829 3.644 ( 4.283 8.063 1.521) 9.255 3.850 ( 2.678 -18.366 2.901) 18.785 3.902 ( 1.252 -10.596 -3.320) 11.175 3.998 ( 5.503 1.090 -1.812) 5.895 4.251 ( -3.343 -1.926 3.141) 4.975 4.548 ( -0.385 -10.198 -8.663) 13.386 4.801 ( -7.518 -1.108 -1.633) 7.773 5.013 ( 7.237 1.659 -5.946) 9.512 5.625 ( 5.124 -6.898 7.573) 11.454 5.826 ( -0.465 -14.199 -4.906) 15.029 5.983 ( 10.846 7.394 -2.769) 13.415 6.788 ( -0.878 29.379 3.491) 29.599 6.984 ( -4.154 20.156 -3.092) 20.811 8.139 ( -15.635 1.017 -0.717) 15.685 8.831 ( 34.260 -12.549 -6.845) 37.123 9.719 ( -0.106 -28.034 -1.830) 28.094 10.364 ( 8.423 -24.605 -3.693) 26.267 11.108 ( 14.318 15.443 4.862) 21.613 11.957 ( -2.670 20.599 2.797) 20.959 12.344 ( 11.932 14.347 4.186) 19.124 13.176 ( -11.207 -8.287 -1.422) 14.010 13.588 ( -3.754 -10.152 -4.727) 11.811 13.934 ( -5.298 -4.472 0.720) 6.970 14.742 ( -4.561 -3.429 0.568) 5.734 15.115 ( 9.054 -4.207 -0.671) 10.006 15.560 ( 6.084 14.182 -0.767) 15.451 15.709 ( 4.793 6.760 1.052) 8.353 15.897 ( 1.013 3.231 -0.972) 3.523 16.327 ( -9.600 3.313 1.085) 10.213 16.387 ( -12.473 1.424 -1.711) 12.671 16.759 ( 0.120 -10.719 1.081) 10.774 17.156 ( 2.279 2.992 -1.082) 3.914 17.602 ( 0.139 1.006 0.704) 1.236 17.850 ( -4.472 -9.526 0.725) 10.548 17.968 ( -3.549 -1.014 3.650) 5.191 18.229 ( -4.512 -4.040 9.376) 11.162 18.358 ( 0.004 4.689 1.060) 4.808 18.631 ( -7.903 5.850 -7.877) 12.599 ======================= Grid point 10 (8/160) ======================= q-point: ( 0.12 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -15.818 21.381 -0.000) 26.596 0.802 ( -28.738 13.086 -0.000) 31.577 1.469 ( -23.014 49.701 -0.000) 54.771 2.854 ( -6.973 -3.560 0.000) 7.829 3.782 ( -3.679 -6.921 0.000) 7.838 3.850 ( 6.314 0.175 0.000) 6.316 3.951 ( -14.257 -8.626 0.000) 16.664 4.150 ( 5.763 -4.786 0.000) 7.491 4.482 ( -0.615 -6.769 0.000) 6.797 4.493 ( 2.307 -0.314 0.000) 2.328 4.677 ( -2.589 0.562 -0.000) 2.650 4.802 ( 7.484 20.010 -0.000) 21.364 4.887 ( 7.010 7.781 -0.000) 10.473 5.771 ( -16.109 -2.908 0.000) 16.369 6.229 ( -19.421 -21.948 0.000) 29.307 7.441 ( -11.752 6.245 -0.000) 13.308 7.739 ( 4.106 -7.832 0.000) 8.843 7.753 ( -11.148 -2.742 0.000) 11.481 8.507 ( 5.178 -7.179 0.000) 8.852 8.701 ( -2.525 13.984 -0.000) 14.210 9.362 ( -2.510 12.872 -0.000) 13.114 11.471 ( -24.222 -21.224 0.000) 32.205 12.291 ( -1.266 11.792 -0.000) 11.860 12.738 ( 2.376 -6.352 0.000) 6.781 12.813 ( -9.394 -13.849 0.000) 16.734 13.733 ( 5.326 -2.321 0.000) 5.809 13.925 ( 6.200 2.465 -0.000) 6.672 14.551 ( 5.675 8.456 -0.000) 10.184 15.151 ( -3.452 -10.079 0.000) 10.654 15.838 ( 0.171 1.845 -0.000) 1.853 15.944 ( -0.423 -5.545 0.000) 5.562 16.007 ( -1.422 -2.476 0.000) 2.855 16.018 ( -4.134 11.472 -0.000) 12.194 16.671 ( 16.058 1.380 0.000) 16.117 16.887 ( 1.013 -3.434 0.000) 3.580 17.058 ( -0.533 2.536 -0.000) 2.591 17.394 ( 1.861 12.931 -0.000) 13.064 17.509 ( 3.629 1.066 -0.000) 3.783 17.971 ( 2.045 6.165 -0.000) 6.496 18.443 ( 1.294 -2.595 0.000) 2.900 18.476 ( 6.402 2.165 -0.000) 6.758 18.761 ( 11.774 7.263 -0.000) 13.834 ======================= Grid point 11 (9/160) ======================= q-point: (-0.38 0.55 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 7.979 -9.092 -2.930) 12.446 2.860 ( 3.448 6.546 -3.232) 8.074 2.987 ( 3.998 -11.003 -0.040) 11.707 3.470 ( -4.945 1.959 -5.136) 7.394 3.772 ( -8.242 -3.701 -3.422) 9.661 3.867 ( -3.366 -3.377 -5.142) 7.013 3.962 ( -2.138 -3.502 0.608) 4.148 4.124 ( -2.668 3.820 -6.955) 8.371 4.405 ( 9.592 2.447 0.308) 9.904 4.462 ( 1.223 8.505 1.064) 8.658 4.745 ( 2.306 -16.896 10.912) 20.245 5.311 ( -3.402 -22.713 -1.218) 22.998 5.508 ( 4.215 1.633 4.584) 6.438 6.249 ( 4.685 11.293 -0.799) 12.252 6.392 ( -7.253 8.426 -1.840) 11.269 6.709 ( 0.281 18.516 1.140) 18.554 6.887 ( -19.949 14.377 -0.108) 24.590 7.305 ( 19.889 0.467 3.441) 20.190 9.661 ( -3.286 -16.041 2.980) 16.643 10.292 ( 13.815 -1.210 5.758) 15.015 11.045 ( -2.535 -6.910 -12.664) 14.648 11.418 ( -17.746 3.391 -4.020) 18.509 11.853 ( -14.664 12.104 2.252) 19.147 12.150 ( 21.755 -0.234 4.304) 22.178 12.705 ( -22.957 -6.500 3.293) 24.086 13.463 ( 18.725 8.357 -1.300) 20.547 14.139 ( 6.064 -17.827 -0.468) 18.836 14.406 ( -5.421 -2.864 0.991) 6.211 15.438 ( -3.835 -3.949 0.607) 5.538 15.687 ( -3.219 2.353 1.787) 4.369 15.808 ( -4.443 7.443 0.210) 8.671 15.973 ( 1.414 5.546 -1.332) 5.877 16.011 ( 2.606 6.711 0.570) 7.221 16.096 ( 6.360 6.899 0.516) 9.398 16.750 ( 0.798 -14.595 -1.780) 14.725 17.144 ( -1.734 3.635 1.050) 4.162 17.476 ( -7.133 -10.005 2.716) 12.584 17.714 ( 3.416 -6.650 -0.777) 7.516 17.865 ( 2.116 -4.845 -4.134) 6.711 17.995 ( 0.189 -0.688 1.047) 1.268 18.332 ( -0.820 1.773 -1.525) 2.478 18.506 ( 2.746 8.100 1.182) 8.634 ======================= Grid point 12 (10/160) ======================= q-point: ( 0.12 0.22 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 14.359 6.797 16.408) 22.839 1.622 ( 14.320 15.483 16.673) 26.885 2.704 ( 15.063 12.111 13.251) 23.434 2.885 ( 7.885 2.986 9.829) 12.950 3.528 ( -3.909 -0.963 -3.540) 5.361 3.753 ( -3.255 1.873 -4.027) 5.506 3.860 ( 2.533 1.208 -5.796) 6.439 4.108 ( -1.763 -2.186 0.862) 2.938 4.222 ( 4.750 3.193 -3.859) 6.903 4.409 ( -0.158 7.950 -4.361) 9.069 4.716 ( -0.530 -7.120 4.943) 8.684 5.127 ( 5.475 3.053 9.666) 11.520 5.284 ( -6.594 -5.016 8.214) 11.666 5.951 ( 17.336 -1.699 -2.931) 17.664 6.203 ( 10.705 -3.189 -10.892) 15.601 7.639 ( -6.257 -8.852 4.846) 11.874 7.710 ( -10.894 -9.202 0.884) 14.287 8.357 ( -8.381 -10.343 -2.366) 13.521 8.670 ( 39.591 5.279 16.379) 43.170 8.901 ( 0.816 13.112 6.944) 14.860 9.616 ( 4.083 13.400 8.398) 16.333 11.503 ( 14.273 -7.853 -9.291) 18.753 12.429 ( -2.264 1.733 3.424) 4.456 12.666 ( 4.514 -2.400 -5.195) 7.289 12.810 ( 4.206 -9.872 -5.219) 11.932 13.565 ( -10.680 2.376 -5.562) 12.273 13.834 ( -7.445 -0.442 6.916) 10.171 14.259 ( -3.928 13.015 -6.837) 15.217 15.250 ( 6.470 -7.144 -0.247) 9.642 15.871 ( -0.133 -2.366 0.052) 2.370 15.990 ( 2.021 -3.819 0.743) 4.384 16.040 ( 2.838 9.171 -0.438) 9.610 16.215 ( 0.722 -7.425 3.072) 8.068 16.480 ( -11.129 -0.805 2.812) 11.507 16.702 ( -1.337 -4.787 -3.972) 6.362 17.078 ( -0.503 15.890 -4.226) 16.450 17.336 ( -1.408 -3.038 5.239) 6.218 17.482 ( -4.994 6.585 1.781) 8.454 17.708 ( -4.445 3.824 -10.426) 11.962 17.805 ( 2.427 6.352 -5.879) 8.989 18.453 ( -2.762 -1.157 -1.327) 3.276 19.089 ( -5.016 -6.922 3.543) 9.254 ======================= Grid point 13 (11/160) ======================= q-point: ( 0.24 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -15.067 21.042 -0.000) 25.881 1.621 ( -23.256 18.727 -0.000) 29.859 2.851 ( -18.921 36.575 -0.000) 41.179 2.942 ( -7.240 7.560 -0.000) 10.467 3.754 ( -10.787 -7.484 0.000) 13.129 3.758 ( 5.922 2.671 -0.000) 6.496 3.937 ( 3.286 -6.289 0.000) 7.096 4.067 ( -10.444 -4.466 0.000) 11.359 4.349 ( 2.853 -4.288 0.000) 5.150 4.439 ( 1.306 -2.030 0.000) 2.414 4.710 ( 5.236 2.231 -0.000) 5.692 4.932 ( -4.328 2.480 -0.000) 4.988 5.140 ( 8.381 27.999 -0.000) 29.226 5.958 ( -14.893 -9.575 0.000) 17.705 6.176 ( -14.504 -14.089 0.000) 20.220 7.275 ( 6.379 -12.631 0.000) 14.151 7.365 ( 4.014 -21.085 0.000) 21.464 8.188 ( 13.363 -5.798 0.000) 14.566 8.504 ( -39.637 11.186 -0.000) 41.185 9.154 ( -2.416 23.921 -0.000) 24.043 9.824 ( -7.697 22.994 -0.000) 24.249 11.488 ( -17.075 -16.245 0.000) 23.569 12.327 ( 4.782 -11.778 0.000) 12.711 12.699 ( -11.348 -15.264 0.000) 19.020 12.808 ( -0.273 18.991 -0.000) 18.993 13.499 ( 12.013 -3.060 0.000) 12.397 13.852 ( 8.635 4.574 -0.000) 9.772 14.628 ( 4.909 8.180 -0.000) 9.540 15.107 ( -7.895 -3.916 0.000) 8.813 15.802 ( -2.127 -10.021 0.000) 10.245 15.851 ( -4.836 -4.506 0.000) 6.609 15.976 ( -2.827 -4.814 0.000) 5.583 16.306 ( 1.978 10.346 -0.000) 10.533 16.375 ( 13.687 -1.904 0.000) 13.819 16.708 ( 3.761 -5.627 0.000) 6.769 17.129 ( -0.971 2.699 -0.000) 2.868 17.551 ( 2.186 6.864 -0.000) 7.204 17.611 ( 4.194 13.166 -0.000) 13.818 17.993 ( 4.931 2.106 -0.000) 5.361 18.368 ( 9.110 1.616 -0.000) 9.252 18.388 ( 0.317 -0.357 0.000) 0.477 18.625 ( 3.069 -6.674 0.000) 7.346 ======================= Grid point 14 (12/160) ======================= q-point: (-0.26 0.43 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 15.608 -11.364 -0.990) 19.332 2.366 ( 15.598 -19.199 5.825) 25.413 3.000 ( 2.554 2.990 -9.992) 10.738 3.378 ( -4.656 -13.338 -9.977) 17.295 3.749 ( 7.492 -14.784 7.275) 18.100 3.844 ( -3.261 0.148 1.046) 3.428 4.047 ( -1.051 4.385 -5.863) 7.397 4.064 ( 6.271 1.572 -6.459) 9.138 4.356 ( 0.408 3.160 5.649) 6.485 4.569 ( -0.928 1.057 2.793) 3.128 4.586 ( 6.294 6.600 -0.201) 9.122 4.914 ( -4.527 -18.529 3.664) 19.423 5.325 ( 7.756 -5.212 6.018) 11.115 6.406 ( 8.466 13.163 -4.365) 16.248 6.641 ( 7.348 9.438 -3.793) 12.548 7.013 ( -9.637 4.429 0.817) 10.637 7.115 ( -4.692 4.874 6.527) 9.400 7.660 ( -10.054 24.658 0.022) 26.629 9.274 ( 2.673 -19.192 1.111) 19.409 9.847 ( 17.366 -9.045 5.548) 20.351 10.537 ( 29.859 -15.686 -0.227) 33.730 11.766 ( 1.019 10.416 -9.915) 14.417 12.046 ( -12.110 5.492 3.292) 13.699 12.425 ( -17.030 2.496 1.753) 17.301 12.997 ( -13.461 0.217 1.807) 13.583 13.312 ( 15.343 9.001 -0.620) 17.799 13.666 ( 2.471 -14.697 1.370) 14.966 14.375 ( -6.778 -10.879 -1.581) 12.915 15.401 ( 3.921 0.835 1.012) 4.135 15.825 ( -1.723 5.708 -0.244) 5.967 15.982 ( 0.587 5.415 -0.648) 5.485 16.057 ( -0.538 6.185 -0.543) 6.233 16.112 ( 3.338 2.341 2.966) 5.042 16.247 ( -1.558 10.275 -0.290) 10.396 16.508 ( -3.440 -7.114 -1.955) 8.140 17.162 ( -0.771 -3.916 3.636) 5.399 17.385 ( -6.591 -12.282 0.822) 13.963 17.480 ( -0.418 -12.337 -0.238) 12.346 17.790 ( -1.456 -1.707 -6.836) 7.195 18.001 ( -3.060 -2.364 -2.870) 4.815 18.369 ( -0.696 0.925 -1.311) 1.750 18.696 ( 0.026 11.532 4.689) 12.449 ======================= Grid point 15 (13/160) ======================= q-point: ( 0.24 0.10 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 10.631 18.094 14.144) 25.307 1.522 ( 17.884 13.518 18.096) 28.810 2.748 ( 4.017 -1.085 -1.835) 4.547 3.153 ( 3.672 37.020 17.255) 41.008 3.315 ( 2.081 -10.739 -5.943) 12.448 3.691 ( 5.225 -8.648 -2.214) 10.344 3.974 ( -4.700 0.430 1.278) 4.889 4.087 ( -1.444 -1.462 5.559) 5.926 4.199 ( 0.267 3.258 -2.284) 3.987 4.594 ( -0.204 2.359 3.341) 4.095 4.821 ( -3.239 8.180 -2.581) 9.169 5.074 ( 2.523 -0.207 0.555) 2.591 5.178 ( 4.245 -0.344 -7.549) 8.668 5.750 ( 4.733 5.080 12.164) 14.006 5.986 ( 5.288 -2.312 -0.916) 5.844 7.337 ( -0.900 -27.655 -3.183) 27.852 7.537 ( -3.977 -18.172 2.695) 18.797 8.163 ( 21.407 9.214 14.540) 27.470 8.445 ( -5.385 -1.525 0.932) 5.674 9.263 ( 0.127 22.302 6.595) 23.257 9.909 ( 2.726 21.015 9.050) 23.043 11.041 ( 11.541 -9.819 -3.384) 15.526 12.274 ( -0.145 -16.180 -6.032) 17.268 12.350 ( 4.088 -13.264 -8.865) 16.469 12.964 ( -0.246 18.577 7.784) 20.144 13.740 ( -5.272 -0.696 -1.651) 5.568 13.954 ( -3.762 2.038 2.003) 4.724 14.593 ( -2.492 12.564 -5.293) 13.859 14.991 ( 5.309 -4.699 -0.139) 7.091 15.754 ( 0.973 -7.285 -1.085) 7.430 15.769 ( 2.849 -12.598 0.135) 12.917 16.046 ( 0.551 -7.116 4.254) 8.309 16.334 ( -1.659 16.811 -0.443) 16.898 16.578 ( -3.555 -4.575 -1.732) 6.047 16.766 ( -11.766 -2.543 -0.095) 12.038 17.171 ( 6.660 -4.109 1.887) 8.050 17.405 ( -0.044 13.366 -6.842) 15.016 17.710 ( -2.047 9.421 1.413) 9.744 17.896 ( -2.935 1.865 -8.115) 8.829 17.931 ( 0.058 9.609 -7.509) 12.195 18.450 ( -1.501 -3.017 -0.148) 3.373 19.040 ( -5.920 -8.847 1.388) 10.735 ======================= Grid point 16 (14/160) ======================= q-point: (-0.26 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -8.542 -11.903 -18.494) 23.595 2.221 ( -16.744 -10.946 -16.912) 26.195 2.797 ( -2.164 1.244 -1.661) 2.998 3.214 ( -1.822 5.069 2.266) 5.844 3.534 ( -2.339 -10.625 -5.854) 12.355 3.712 ( -0.707 3.916 2.401) 4.648 3.879 ( 1.619 -2.538 2.070) 3.653 4.166 ( -0.807 0.464 -0.925) 1.312 4.259 ( -2.659 -3.963 -8.009) 9.323 4.666 ( 3.772 -16.564 -3.785) 17.404 4.704 ( 0.056 -1.414 -2.577) 2.940 5.055 ( -3.821 9.807 8.827) 13.737 5.335 ( -7.077 -3.551 -6.252) 10.089 6.009 ( -6.969 -0.078 6.563) 9.573 6.046 ( -6.191 -2.467 -7.284) 9.873 7.254 ( -0.318 28.677 4.491) 29.028 7.442 ( 7.754 17.324 0.752) 18.995 8.156 ( 13.739 2.678 3.005) 14.316 9.095 ( -31.369 -5.553 -12.777) 34.323 9.411 ( -4.367 -19.389 -10.319) 22.394 10.149 ( -2.917 -21.213 -8.707) 23.116 11.196 ( -9.957 11.126 2.418) 15.126 12.169 ( -1.234 16.655 6.284) 17.843 12.291 ( -10.815 11.874 10.537) 19.209 12.979 ( 11.108 -12.635 -0.434) 16.829 13.626 ( 0.999 -10.009 -1.133) 10.122 13.930 ( 7.274 1.628 -5.052) 9.005 14.419 ( 3.482 -14.841 6.487) 16.567 15.128 ( -9.166 3.353 0.423) 9.770 15.740 ( -1.169 6.829 1.954) 7.198 15.851 ( -4.968 11.010 -0.183) 12.080 16.116 ( 1.019 7.285 -3.046) 7.962 16.284 ( 2.232 -10.669 0.751) 10.925 16.462 ( 9.441 2.855 -1.747) 10.017 16.571 ( 5.222 0.912 1.696) 5.566 17.231 ( -3.353 -3.168 6.211) 7.737 17.335 ( -1.306 -4.641 1.871) 5.171 17.671 ( 3.340 -9.319 -0.682) 9.923 17.683 ( 4.733 -7.495 3.956) 9.707 17.889 ( -0.733 -6.770 -0.349) 6.818 18.399 ( 2.872 2.395 0.297) 3.751 18.926 ( 4.619 8.566 2.027) 9.941 ======================= Grid point 17 (15/160) ======================= q-point: ( 0.24 -0.57 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -4.877 10.019 5.899) 12.608 2.752 ( -8.798 14.318 3.761) 17.221 2.841 ( -4.638 5.436 0.460) 7.160 3.058 ( 5.105 8.437 10.998) 14.772 3.708 ( 5.255 -1.845 3.001) 6.326 3.810 ( 2.107 -0.882 1.781) 2.896 3.960 ( 3.852 0.767 -1.349) 4.153 4.182 ( -2.014 -4.076 -2.450) 5.165 4.406 ( -1.164 0.688 0.206) 1.367 4.596 ( -2.937 -2.216 4.068) 5.485 4.743 ( -4.753 8.031 -3.303) 9.900 4.920 ( 1.978 4.440 -4.296) 6.487 5.519 ( -2.260 4.792 -2.221) 5.745 6.375 ( 2.906 -6.956 4.757) 8.914 6.448 ( 15.778 -0.463 0.837) 15.807 7.039 ( -7.949 -9.978 -2.086) 12.926 7.223 ( -1.102 -9.805 -3.155) 10.359 7.609 ( -4.217 -22.941 -2.826) 23.496 9.330 ( -1.466 18.476 -0.238) 18.536 10.142 ( -5.731 17.886 -1.454) 18.838 10.756 ( 7.024 0.938 11.280) 13.321 11.486 ( 12.019 -9.880 1.954) 15.681 11.992 ( -6.413 2.316 -3.412) 7.625 12.355 ( -1.973 -8.972 -4.962) 10.441 12.773 ( 18.403 -3.410 -7.137) 20.030 13.546 ( -14.341 -3.548 5.182) 15.656 13.756 ( -3.024 16.054 0.403) 16.342 14.259 ( 2.628 11.873 -1.090) 12.209 15.422 ( 3.664 -0.441 -0.787) 3.773 15.788 ( 2.295 -5.477 -0.686) 5.978 15.990 ( 0.976 -7.171 -0.666) 7.267 16.055 ( -2.032 -5.657 1.224) 6.134 16.212 ( -0.886 -7.795 -0.854) 7.892 16.230 ( -2.714 -7.158 -0.199) 7.658 16.443 ( -1.094 9.682 1.900) 9.927 17.225 ( 1.967 3.956 -4.797) 6.522 17.328 ( 3.553 8.432 -4.187) 10.062 17.495 ( -2.526 13.123 0.223) 13.366 17.646 ( -1.375 4.805 7.028) 8.624 17.928 ( 0.171 3.457 2.367) 4.193 18.334 ( -0.285 -0.950 1.176) 1.538 18.779 ( -0.626 -12.452 -3.320) 12.902 ======================= Grid point 18 (16/160) ======================= q-point: (-0.26 0.10 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 18.630 -22.611 -4.528) 29.645 1.258 ( 15.986 -20.965 -7.825) 27.501 2.736 ( 5.271 -28.778 -9.690) 30.820 2.823 ( 7.490 -20.314 -6.419) 22.583 3.506 ( 1.656 8.388 10.374) 13.444 3.767 ( 7.802 6.554 5.129) 11.408 3.903 ( -2.277 -0.707 -4.289) 4.908 4.035 ( -2.085 6.759 -1.598) 7.252 4.278 ( -0.336 -0.565 5.856) 5.892 4.532 ( -1.078 1.660 -3.521) 4.039 4.771 ( 2.549 -1.548 -5.678) 6.413 5.079 ( -7.559 -3.757 -1.824) 8.636 5.278 ( -5.430 -17.817 1.200) 18.665 5.615 ( 14.299 2.621 1.264) 14.592 5.959 ( 9.768 7.759 -3.407) 12.932 7.372 ( -2.289 21.493 0.680) 21.626 7.464 ( -3.533 19.142 -4.089) 19.890 7.941 ( 25.078 -13.386 -7.865) 29.495 8.415 ( -7.678 3.060 -1.956) 8.494 9.157 ( 1.073 -24.721 -4.135) 25.088 9.772 ( 3.153 -21.614 -4.969) 22.401 11.113 ( 14.708 12.253 3.478) 19.456 12.362 ( -1.602 12.841 3.031) 13.290 12.491 ( 4.661 13.575 5.559) 15.392 12.835 ( 1.164 -18.627 -5.209) 19.377 13.711 ( -6.044 3.355 -3.094) 7.573 13.966 ( -4.714 -3.700 1.856) 6.274 14.673 ( -2.754 -8.854 2.943) 9.728 14.990 ( 4.792 4.963 -0.229) 6.903 15.764 ( 1.958 11.048 -0.217) 11.222 15.769 ( 2.416 7.562 0.545) 7.957 15.969 ( 1.442 5.688 -3.548) 6.857 16.341 ( -1.649 -16.782 0.249) 16.864 16.616 ( -8.386 4.134 1.852) 9.531 16.762 ( -6.713 5.043 -0.287) 8.401 17.116 ( 4.692 0.689 -2.761) 5.488 17.531 ( -0.749 -8.130 5.232) 9.697 17.682 ( -1.869 -11.512 -1.218) 11.726 18.025 ( -2.805 -2.742 5.057) 6.401 18.163 ( -1.589 -5.589 15.557) 16.606 18.453 ( -0.565 3.339 0.068) 3.387 18.941 ( -8.645 8.263 -9.006) 14.971 ======================= Grid point 19 (17/160) ======================= q-point: (-0.15 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -7.680 -4.602 -14.613) 17.137 2.127 ( -5.799 -18.037 -15.359) 24.389 2.765 ( 1.854 -1.531 -1.337) 2.751 3.107 ( 10.096 -0.804 2.980) 10.558 3.680 ( -2.116 2.815 1.110) 3.692 3.717 ( -13.332 -2.605 -5.043) 14.490 3.836 ( -0.910 -3.023 -3.734) 4.890 4.143 ( -0.606 -3.848 -2.696) 4.737 4.245 ( -2.376 -9.199 -1.795) 9.669 4.438 ( -5.396 0.632 0.122) 5.434 4.792 ( 0.354 8.491 -2.505) 8.860 5.208 ( 7.180 7.170 1.062) 10.203 5.376 ( -3.139 -3.879 -5.141) 7.165 6.205 ( -13.321 -0.027 9.523) 16.375 6.220 ( -13.450 0.047 -0.137) 13.451 7.458 ( 15.991 4.780 -0.224) 16.691 7.557 ( 6.958 8.486 0.274) 10.977 8.150 ( 4.658 14.079 3.918) 15.338 9.001 ( 1.313 -11.831 -4.559) 12.746 9.727 ( -17.363 -5.037 -12.998) 22.267 9.910 ( -24.441 -11.749 -11.369) 29.405 11.583 ( -8.331 7.901 3.871) 12.116 12.300 ( 13.287 -0.288 4.341) 13.981 12.612 ( -0.183 1.332 6.471) 6.609 12.801 ( -10.702 10.297 8.429) 17.077 13.364 ( 3.143 -10.341 -0.937) 10.848 13.805 ( 10.022 2.251 -6.621) 12.220 14.072 ( 2.682 -12.149 5.144) 13.463 15.367 ( -5.958 3.209 0.435) 6.781 15.881 ( -1.251 4.628 0.086) 4.795 16.044 ( -2.070 2.096 -0.456) 2.981 16.106 ( -5.350 -6.971 0.298) 8.792 16.234 ( 1.838 7.616 -0.491) 7.850 16.371 ( 6.015 2.636 -1.968) 6.856 16.615 ( 3.054 9.815 1.216) 10.351 17.007 ( -1.459 -14.119 3.467) 14.612 17.302 ( 8.304 -10.095 -0.652) 13.088 17.417 ( 4.152 -5.973 4.902) 8.772 17.517 ( -0.526 4.263 -1.630) 4.594 17.795 ( -1.797 -5.317 -0.021) 5.613 18.373 ( 2.688 0.592 0.773) 2.859 19.054 ( 0.699 7.635 1.632) 7.839 ======================= Grid point 20 (18/160) ======================= q-point: ( 0.35 0.31 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.160 10.212 10.689) 14.784 2.706 ( 3.393 -7.128 5.612) 9.686 3.009 ( 7.914 3.668 5.313) 10.214 3.236 ( 7.621 1.211 3.262) 8.377 3.611 ( 3.925 -0.148 -1.176) 4.100 3.747 ( -1.303 5.170 3.360) 6.302 3.924 ( 3.789 1.927 -0.906) 4.346 4.056 ( -1.563 -5.000 -1.176) 5.369 4.424 ( -1.907 -3.724 6.090) 7.389 4.558 ( -5.589 -5.318 0.439) 7.727 4.953 ( 3.578 12.207 -11.664) 17.259 5.229 ( 1.720 20.852 3.769) 21.260 5.619 ( -0.297 2.036 -0.371) 2.090 6.107 ( 11.151 -1.730 3.208) 11.732 6.278 ( 1.510 1.370 1.629) 2.610 6.600 ( 12.414 -27.596 -3.982) 30.520 6.842 ( -7.496 -22.898 -2.398) 24.213 7.760 ( -19.992 1.025 -3.297) 20.288 9.629 ( 10.096 10.939 -4.702) 15.611 10.380 ( 25.084 6.469 18.021) 31.556 10.614 ( -6.849 9.934 -4.556) 12.897 11.082 ( 8.512 -5.774 6.085) 11.950 11.748 ( 5.998 -18.339 -4.766) 19.875 12.311 ( 18.959 0.246 -4.649) 19.523 12.746 ( -20.694 7.094 -5.903) 22.659 13.729 ( -14.102 -4.520 3.373) 15.188 14.073 ( 5.367 12.092 4.412) 13.946 14.484 ( -4.950 8.779 -4.848) 11.184 15.317 ( 9.575 4.240 -0.732) 10.497 15.645 ( 4.341 -1.862 -2.083) 5.162 15.716 ( 6.739 -12.155 -0.513) 13.907 15.981 ( -2.387 -6.854 1.893) 7.501 16.141 ( -8.175 -3.924 -1.097) 9.134 16.236 ( -8.589 -4.638 0.032) 9.761 16.729 ( -0.949 14.575 1.878) 14.726 17.138 ( 1.796 -5.870 -1.962) 6.445 17.459 ( 3.555 9.651 -5.880) 11.846 17.759 ( -2.923 6.531 0.810) 7.201 17.838 ( -2.633 7.373 3.444) 8.553 18.023 ( -2.141 5.018 1.227) 5.592 18.301 ( -0.950 -3.872 1.113) 4.139 18.612 ( -5.439 -7.974 -1.909) 9.839 ======================= Grid point 21 (19/160) ======================= q-point: (-0.15 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -0.000 -9.600 -21.212) 23.283 0.662 ( 0.000 -18.183 -16.071) 24.268 1.647 ( 0.000 -48.613 -31.705) 58.038 2.767 ( -0.000 1.403 0.324) 1.440 3.692 ( -0.000 8.079 6.003) 10.065 3.728 ( -0.000 2.185 -0.285) 2.204 3.942 ( -0.000 0.566 -3.367) 3.414 4.203 ( -0.000 4.740 1.444) 4.955 4.242 ( 0.000 -1.172 9.681) 9.752 4.558 ( 0.000 -3.123 3.897) 4.994 4.777 ( -0.000 0.176 -1.526) 1.536 4.873 ( 0.000 -8.070 -2.598) 8.478 5.252 ( -0.000 -4.604 -19.706) 20.237 5.495 ( 0.000 5.707 8.056) 9.872 5.941 ( -0.000 3.597 -0.734) 3.671 7.391 ( 0.000 -10.868 -13.199) 17.098 7.724 ( -0.000 9.040 -2.960) 9.512 7.881 ( -0.000 16.674 -3.853) 17.113 8.642 ( -0.000 12.223 -4.187) 12.921 8.735 ( 0.000 -14.426 -6.113) 15.667 9.391 ( 0.000 -12.480 -5.396) 13.597 11.103 ( -0.000 4.843 2.414) 5.411 12.331 ( 0.000 -10.629 -5.207) 11.836 12.660 ( -0.000 7.286 5.309) 9.015 12.799 ( -0.000 11.526 -1.206) 11.589 13.828 ( -0.000 2.450 -3.756) 4.485 13.948 ( 0.000 -2.603 3.284) 4.191 14.503 ( 0.000 -11.348 8.415) 14.127 15.114 ( -0.000 10.486 0.338) 10.491 15.895 ( -0.000 8.677 -1.953) 8.894 15.941 ( -0.000 5.799 -0.107) 5.800 15.973 ( 0.000 -17.546 0.237) 17.547 16.076 ( -0.000 7.339 -7.658) 10.607 16.802 ( -0.000 5.261 5.044) 7.288 17.012 ( 0.000 0.058 0.451) 0.455 17.017 ( -0.000 3.972 -6.864) 7.930 17.319 ( 0.000 -14.228 13.961) 19.934 17.483 ( 0.000 -10.355 -0.578) 10.371 17.900 ( 0.000 -8.422 9.026) 12.345 18.061 ( 0.000 -9.622 14.548) 17.442 18.504 ( -0.000 1.403 -0.137) 1.409 19.279 ( -0.000 13.909 -7.423) 15.766 ======================= Grid point 22 (20/160) ======================= q-point: ( 0.35 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -12.048 19.034 -0.000) 22.527 2.411 ( -16.258 20.043 -0.000) 25.807 2.975 ( -1.661 -0.271 0.000) 1.683 3.640 ( 1.721 -9.738 0.000) 9.889 3.819 ( -15.679 -0.129 -0.000) 15.680 3.859 ( 0.062 2.624 -0.000) 2.625 4.071 ( -7.729 12.558 -0.000) 14.746 4.110 ( -5.638 5.086 -0.000) 7.593 4.224 ( 5.506 1.091 -0.000) 5.613 4.440 ( -3.038 9.683 -0.000) 10.148 4.576 ( 10.600 0.735 0.000) 10.625 5.127 ( -10.485 -0.613 -0.000) 10.503 5.596 ( 8.604 31.308 -0.000) 32.469 5.933 ( -10.272 -15.324 0.000) 18.448 6.225 ( -14.807 -8.791 0.000) 17.220 6.786 ( 2.326 -27.254 0.000) 27.353 6.887 ( 1.833 -14.502 0.000) 14.617 7.774 ( 21.575 -2.436 0.000) 21.712 9.409 ( -31.624 7.380 -0.000) 32.473 9.692 ( 0.640 25.420 -0.000) 25.428 10.575 ( -17.271 26.258 -0.000) 31.429 11.437 ( -12.969 -15.795 0.000) 20.438 11.896 ( 5.745 -18.164 0.000) 19.051 12.684 ( -19.304 -13.802 0.000) 23.731 12.831 ( 23.041 -1.947 0.000) 23.123 13.416 ( 11.575 13.098 -0.000) 17.480 13.890 ( -1.876 11.823 -0.000) 11.971 14.650 ( 5.718 2.325 -0.000) 6.173 15.286 ( -9.116 4.529 -0.000) 10.179 15.646 ( -4.020 -10.183 0.000) 10.948 15.832 ( -6.368 -7.887 0.000) 10.137 15.918 ( -1.741 -4.646 0.000) 4.961 16.111 ( 11.812 0.472 0.000) 11.822 16.184 ( 8.371 -6.528 0.000) 10.616 16.768 ( 0.475 11.579 -0.000) 11.589 17.166 ( -0.311 -1.698 0.000) 1.726 17.622 ( -1.300 -0.079 -0.000) 1.303 17.748 ( 6.788 10.067 -0.000) 12.142 17.931 ( 3.395 1.445 -0.000) 3.690 18.193 ( 9.995 -0.982 0.000) 10.043 18.397 ( 1.500 1.979 -0.000) 2.483 18.423 ( -0.682 -8.778 0.000) 8.805 ======================= Grid point 23 (21/160) ======================= q-point: (-0.15 0.31 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 21.659 -10.310 2.573) 24.126 1.647 ( 15.580 -19.814 8.451) 26.585 2.924 ( 26.941 -10.753 12.399) 31.546 2.999 ( 7.313 2.060 -11.351) 13.658 3.411 ( -10.589 -9.445 -2.449) 14.399 3.921 ( 2.133 2.369 -5.930) 6.732 3.985 ( -0.721 0.595 4.355) 4.454 4.131 ( 0.730 2.732 -13.668) 13.957 4.359 ( -0.625 -14.288 -4.144) 14.890 4.517 ( 4.658 7.389 0.590) 8.754 4.602 ( 1.845 6.971 2.943) 7.788 4.908 ( -5.658 1.057 14.799) 15.879 5.059 ( 7.002 -6.531 8.405) 12.740 6.384 ( 16.190 6.965 -6.162) 18.670 6.607 ( 10.764 8.230 -7.982) 15.726 7.355 ( -11.180 5.087 6.891) 14.084 7.391 ( -16.311 1.312 3.525) 16.739 8.237 ( -6.963 14.887 -0.865) 16.457 8.867 ( 4.151 -12.593 1.796) 13.380 9.261 ( 40.658 -1.200 7.205) 41.309 9.647 ( 15.451 -17.009 3.738) 23.281 11.892 ( 6.188 8.492 -9.620) 14.246 12.291 ( -7.156 -5.243 2.246) 9.151 12.621 ( -5.768 1.609 4.302) 7.373 13.181 ( 11.478 13.359 -8.528) 19.569 13.360 ( -12.093 3.026 1.800) 12.595 13.572 ( -9.234 -4.533 2.635) 10.619 14.258 ( -6.517 -12.276 -3.415) 14.312 15.364 ( 5.649 5.095 0.576) 7.629 15.891 ( 2.559 -1.008 -0.523) 2.799 16.000 ( 1.642 2.100 2.104) 3.396 16.062 ( 0.496 -2.135 1.278) 2.537 16.244 ( 3.692 4.003 -0.650) 5.484 16.291 ( -2.830 4.343 1.383) 5.365 16.723 ( -5.537 8.850 -3.310) 10.952 17.056 ( -2.323 -9.336 2.929) 10.056 17.220 ( -4.537 -9.515 -1.013) 10.590 17.313 ( -6.757 -10.614 2.763) 12.882 17.810 ( -2.593 -1.219 -6.158) 6.792 17.986 ( -1.494 -3.583 -9.044) 9.842 18.414 ( -2.467 0.728 -0.075) 2.573 18.901 ( 0.062 7.406 8.151) 11.013 ======================= Grid point 24 (22/160) ======================= q-point: ( 0.35 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.000 24.175 10.309) 26.281 1.760 ( -0.000 21.653 9.346) 23.584 2.673 ( -0.000 0.312 -3.134) 3.149 3.044 ( 0.000 -12.069 -14.426) 18.808 3.388 ( 0.000 -14.997 -3.559) 15.414 3.855 ( -0.000 24.402 4.963) 24.901 3.938 ( 0.000 -4.098 0.507) 4.129 4.120 ( 0.000 1.980 12.565) 12.720 4.320 ( -0.000 6.442 1.331) 6.578 4.716 ( -0.000 16.478 9.401) 18.971 4.901 ( -0.000 -8.132 -15.229) 17.264 4.911 ( 0.000 3.277 6.955) 7.688 5.282 ( -0.000 2.649 -1.713) 3.155 5.902 ( 0.000 -2.066 4.627) 5.068 6.004 ( -0.000 21.671 6.178) 22.535 6.688 ( 0.000 -33.357 -7.626) 34.217 7.141 ( 0.000 -23.810 2.051) 23.898 8.183 ( -0.000 12.342 9.686) 15.689 8.500 ( 0.000 0.279 1.101) 1.135 9.753 ( -0.000 24.084 1.892) 24.159 10.346 ( -0.000 23.851 8.053) 25.174 10.733 ( 0.000 -9.626 1.472) 9.738 11.886 ( 0.000 -20.869 -7.952) 22.333 12.022 ( 0.000 -14.554 -7.579) 16.409 13.388 ( -0.000 20.261 6.199) 21.188 13.749 ( 0.000 -2.379 1.395) 2.758 14.044 ( -0.000 2.670 -0.984) 2.845 14.829 ( -0.000 6.867 -1.308) 6.990 14.922 ( -0.000 3.727 -0.167) 3.731 15.409 ( 0.000 -17.135 -0.233) 17.137 15.600 ( 0.000 -6.714 -0.876) 6.771 15.921 ( 0.000 -4.050 2.523) 4.771 16.521 ( 0.000 -2.221 -0.442) 2.264 16.708 ( -0.000 15.176 -0.351) 15.180 16.805 ( 0.000 -7.469 0.593) 7.492 17.033 ( 0.000 -1.280 0.072) 1.282 17.583 ( -0.000 3.256 -1.681) 3.665 17.908 ( -0.000 -0.885 -5.848) 5.915 17.916 ( -0.000 7.124 -2.759) 7.639 18.136 ( -0.000 9.549 -6.104) 11.334 18.382 ( 0.000 -5.344 0.547) 5.372 18.932 ( 0.000 -6.986 2.119) 7.300 ======================= Grid point 25 (23/160) ======================= q-point: ( 0.47 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -5.394 14.240 -0.000) 15.228 2.728 ( 1.989 -6.604 0.000) 6.897 3.208 ( -5.761 18.572 -0.000) 19.445 3.305 ( 4.120 -17.477 0.000) 17.956 3.942 ( -2.833 1.579 -0.000) 3.243 3.958 ( -4.345 -7.256 0.000) 8.458 4.088 ( -7.387 -0.819 -0.000) 7.433 4.214 ( -4.898 -5.480 0.000) 7.350 4.228 ( 4.880 8.078 -0.000) 9.437 4.374 ( 11.737 1.434 0.000) 11.825 5.082 ( -3.025 -21.074 0.000) 21.290 5.103 ( -0.490 29.008 -0.000) 29.012 5.789 ( -10.329 -19.417 0.000) 21.993 5.997 ( 11.106 20.851 -0.000) 23.625 6.310 ( -3.583 5.270 -0.000) 6.373 6.345 ( 0.691 -6.994 0.000) 7.028 6.850 ( -21.068 -4.206 0.000) 21.484 7.293 ( 24.194 -0.854 0.000) 24.209 9.863 ( -13.288 -7.163 0.000) 15.096 10.062 ( 8.427 15.751 -0.000) 17.863 11.357 ( -5.946 15.135 -0.000) 16.261 11.445 ( 3.699 -15.702 0.000) 16.132 11.567 ( -32.662 1.481 -0.000) 32.695 12.189 ( 31.645 -6.029 0.000) 32.214 12.858 ( -23.892 -10.350 0.000) 26.037 13.291 ( 21.207 9.164 -0.000) 23.103 14.300 ( -8.085 11.336 -0.000) 13.924 14.448 ( 7.512 -10.399 0.000) 12.828 15.551 ( -3.251 -7.057 0.000) 7.770 15.553 ( -2.963 7.827 -0.000) 8.369 15.804 ( -7.880 -6.097 0.000) 9.963 15.896 ( -1.196 1.123 -0.000) 1.640 15.956 ( 5.223 -1.136 0.000) 5.345 15.964 ( 9.060 4.876 -0.000) 10.289 17.007 ( -1.246 9.818 -0.000) 9.897 17.032 ( 1.281 -10.262 0.000) 10.342 17.623 ( -6.633 -6.296 0.000) 9.145 17.756 ( 6.955 3.785 -0.000) 7.918 17.941 ( -0.307 2.214 -0.000) 2.235 17.990 ( 5.297 -3.194 0.000) 6.186 18.346 ( -2.491 -2.299 0.000) 3.390 18.399 ( 2.991 2.893 -0.000) 4.161 ======================= Grid point 26 (24/160) ======================= q-point: (-0.03 0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 18.291 0.000 14.250) 23.186 1.066 ( 19.858 0.000 12.328) 23.373 2.094 ( 40.795 0.000 21.206) 45.978 2.937 ( 5.042 -0.000 -8.095) 9.537 3.584 ( -14.531 -0.000 -4.378) 15.176 3.871 ( 3.182 -0.000 -4.869) 5.817 4.028 ( 5.007 -0.000 -8.121) 9.540 4.150 ( -3.322 -0.000 -5.050) 6.045 4.234 ( -3.064 -0.000 -4.589) 5.518 4.448 ( 4.844 -0.000 -5.474) 7.310 4.749 ( 2.183 0.000 4.722) 5.202 4.838 ( 1.292 0.000 11.267) 11.341 5.025 ( -4.697 0.000 19.483) 20.041 6.099 ( 19.747 -0.000 -5.956) 20.626 6.536 ( 9.452 -0.000 -15.264) 17.954 7.572 ( -6.047 0.000 8.060) 10.076 7.734 ( -15.410 0.000 6.003) 16.538 8.356 ( 43.675 0.000 8.820) 44.557 8.509 ( -6.578 0.000 0.778) 6.623 8.665 ( 2.977 0.000 2.913) 4.165 9.341 ( 4.301 0.000 5.047) 6.632 11.846 ( 10.463 -0.000 -14.750) 18.084 12.242 ( 0.587 0.000 5.051) 5.085 12.757 ( -3.394 0.000 0.767) 3.479 13.189 ( 8.400 -0.000 -12.111) 14.739 13.659 ( -12.713 -0.000 -4.758) 13.574 13.698 ( -8.472 0.000 6.329) 10.575 14.187 ( -4.168 -0.000 -3.434) 5.401 15.359 ( 3.886 -0.000 -0.506) 3.919 15.790 ( 1.667 0.000 3.735) 4.090 16.015 ( 0.986 0.000 0.369) 1.053 16.021 ( 1.210 -0.000 -1.287) 1.766 16.207 ( 0.472 0.000 9.319) 9.331 16.401 ( -1.768 0.000 0.256) 1.787 16.877 ( 0.332 -0.000 -2.897) 2.916 16.909 ( -2.224 -0.000 -4.130) 4.691 17.244 ( -2.873 0.000 5.242) 5.977 17.376 ( -10.373 0.000 1.837) 10.534 17.823 ( -1.302 -0.000 -4.685) 4.862 17.929 ( 2.307 -0.000 -15.265) 15.438 18.482 ( -3.131 0.000 0.210) 3.138 18.994 ( -3.492 0.000 14.251) 14.673 ======================= Grid point 27 (25/160) ======================= q-point: ( 0.47 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -12.564 11.585 3.271) 17.400 2.265 ( -7.417 20.562 0.373) 21.862 2.792 ( -7.448 -3.304 -7.133) 10.829 2.817 ( 0.063 -5.356 -15.686) 16.576 3.210 ( -7.991 -3.603 -3.166) 9.320 3.905 ( -2.413 -1.651 2.012) 3.549 4.018 ( 4.305 1.873 -3.182) 5.671 4.153 ( 3.460 1.899 10.883) 11.577 4.406 ( 0.907 4.774 -0.381) 4.874 4.716 ( 3.996 -4.641 -13.035) 14.402 4.946 ( -4.297 -4.550 10.086) 11.870 5.301 ( -7.407 -6.846 -0.153) 10.087 5.411 ( -1.131 37.727 12.478) 39.753 5.879 ( -2.319 -1.105 4.984) 5.607 6.015 ( -2.101 -22.479 -11.313) 25.253 6.548 ( 4.416 23.039 -0.782) 23.472 6.626 ( 1.532 -19.970 2.420) 20.174 8.375 ( 8.056 -0.618 1.872) 8.293 8.655 ( -20.731 8.125 3.062) 22.476 10.116 ( -3.304 3.526 -5.981) 7.689 10.644 ( 0.001 4.865 4.248) 6.458 10.851 ( -5.639 14.615 1.111) 15.704 11.477 ( 0.085 -15.231 -2.737) 15.475 11.829 ( -7.116 -8.841 -2.120) 11.546 13.507 ( 11.735 -0.556 1.937) 11.907 13.839 ( -6.819 5.254 2.140) 8.870 14.045 ( 4.338 1.387 -2.235) 5.074 14.828 ( 3.425 -3.607 2.068) 5.387 15.146 ( -6.240 -0.823 0.280) 6.300 15.150 ( -5.316 0.235 0.168) 5.324 15.514 ( -2.636 -3.537 1.293) 4.597 15.911 ( 0.446 3.726 -1.575) 4.069 16.456 ( 7.124 1.704 1.756) 7.532 16.591 ( 8.826 -2.249 0.073) 9.108 16.947 ( -1.099 5.264 -0.086) 5.379 16.976 ( -1.638 -6.248 -0.742) 6.501 17.546 ( -0.674 -6.114 4.955) 7.898 17.869 ( -0.466 -2.451 -4.351) 5.015 18.003 ( 1.771 1.103 -3.669) 4.220 18.235 ( 1.128 -6.952 -0.083) 7.044 18.287 ( 2.367 6.555 -3.631) 7.859 18.789 ( 5.029 -1.337 3.741) 6.409 ======================= Grid point 28 (26/160) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -1.066 -0.000 -6.202) 6.293 1.962 ( -3.921 -0.000 -6.075) 7.230 2.723 ( 0.854 -0.000 -0.365) 0.928 2.899 ( 6.184 0.000 3.087) 6.912 3.714 ( 1.043 -0.000 -1.758) 2.044 3.824 ( -0.762 0.000 1.632) 1.802 3.944 ( -9.064 -0.000 -6.475) 11.139 4.093 ( 0.456 0.000 0.038) 0.458 4.179 ( -1.185 -0.000 -1.369) 1.811 4.622 ( -8.424 0.000 3.956) 9.306 4.836 ( 6.248 -0.000 -2.432) 6.705 5.179 ( 3.901 -0.000 -1.417) 4.150 5.329 ( -1.086 -0.000 -1.439) 1.803 6.449 ( -7.213 0.000 0.990) 7.280 6.454 ( -10.569 0.000 5.702) 12.009 7.183 ( 12.703 -0.000 -1.576) 12.801 7.511 ( 4.518 -0.000 -0.300) 4.528 8.283 ( 0.524 0.000 1.452) 1.543 8.850 ( 0.709 -0.000 -1.910) 2.038 9.682 ( -0.272 -0.000 -2.303) 2.319 10.461 ( -24.412 -0.000 -9.742) 26.284 11.776 ( -2.707 0.000 1.149) 2.941 11.924 ( 15.554 0.000 5.236) 16.412 12.690 ( -1.352 0.000 2.672) 2.994 13.161 ( -10.145 0.000 6.896) 12.267 13.181 ( 1.179 -0.000 -0.138) 1.187 13.638 ( 9.309 -0.000 -6.565) 11.391 13.893 ( 0.893 0.000 2.000) 2.190 15.452 ( -1.362 0.000 0.211) 1.378 15.951 ( -0.481 -0.000 -0.089) 0.489 16.081 ( -0.730 -0.000 -0.134) 0.742 16.178 ( -6.015 -0.000 -1.127) 6.119 16.321 ( 1.682 0.000 0.535) 1.764 16.332 ( 1.044 0.000 0.140) 1.054 16.765 ( -2.051 0.000 0.492) 2.109 16.880 ( -1.920 0.000 0.170) 1.928 16.906 ( 10.262 0.000 0.188) 10.264 17.281 ( 2.346 0.000 1.002) 2.551 17.599 ( 0.114 -0.000 -0.389) 0.406 17.758 ( -1.207 0.000 0.287) 1.241 18.340 ( 1.086 0.000 0.317) 1.132 19.141 ( -0.302 0.000 0.644) 0.711 ======================= Grid point 29 (27/160) ======================= q-point: (-0.53 0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 6.359 -17.279 0.079) 18.412 2.538 ( 11.867 -7.495 -0.673) 14.052 2.870 ( 7.101 -3.149 8.529) 11.536 2.986 ( 12.308 8.848 7.870) 17.079 3.397 ( 11.003 2.924 3.264) 11.844 3.924 ( -3.877 -1.240 2.314) 4.682 3.945 ( -0.642 0.928 0.481) 1.227 4.092 ( -1.641 3.181 -8.080) 8.838 4.357 ( -3.878 -7.049 2.403) 8.397 4.634 ( -4.865 2.863 7.650) 9.507 5.054 ( 6.742 4.458 -8.747) 11.909 5.420 ( 0.771 -27.766 -13.496) 30.882 5.468 ( 8.357 7.537 1.860) 11.406 5.961 ( 6.087 -1.794 0.835) 6.401 6.082 ( 5.418 15.937 5.998) 17.869 6.434 ( -7.235 -18.805 0.206) 20.150 6.595 ( -1.239 15.787 -1.941) 15.954 8.144 ( -15.926 1.319 -1.867) 16.089 9.178 ( 31.820 -6.851 -5.434) 32.999 10.191 ( 4.041 -10.245 5.346) 12.242 10.665 ( 2.953 3.140 -2.572) 5.019 10.974 ( 6.552 -11.915 2.125) 13.763 11.482 ( 0.936 12.994 1.426) 13.106 12.040 ( 15.144 7.248 1.363) 16.844 13.234 ( -17.265 2.698 -2.471) 17.648 13.866 ( -8.014 -5.828 -0.558) 9.925 14.017 ( 5.474 -2.917 0.684) 6.240 14.739 ( -5.848 3.705 -1.461) 7.075 15.289 ( 8.962 -1.790 -0.346) 9.146 15.299 ( 9.342 1.959 -0.681) 9.569 15.584 ( 4.619 3.840 -0.891) 6.073 15.898 ( -0.952 -3.129 1.238) 3.497 16.287 ( -9.939 -0.303 -1.153) 10.011 16.388 ( -11.794 0.209 -0.568) 11.809 16.962 ( 0.588 -9.106 -0.103) 9.125 17.003 ( 0.849 10.715 1.680) 10.879 17.565 ( 1.407 5.026 -4.510) 6.898 17.868 ( -1.049 1.401 2.620) 3.151 17.961 ( -2.258 -0.720 3.627) 4.333 18.192 ( -4.042 1.766 1.425) 4.636 18.242 ( -1.315 -1.230 2.151) 2.805 18.663 ( -7.695 0.238 -3.115) 8.305 ======================= Grid point 30 (28/160) ======================= q-point: (-0.03 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -12.638 -0.000 -22.575) 25.872 0.714 ( -17.006 -0.000 -19.559) 25.918 1.349 ( -34.856 -0.000 -34.557) 49.083 2.839 ( -4.901 0.000 3.819) 6.213 3.783 ( 2.651 0.000 4.327) 5.074 3.869 ( 5.655 -0.000 -0.574) 5.684 3.884 ( -8.833 0.000 11.854) 14.784 4.225 ( 2.927 0.000 1.691) 3.381 4.280 ( 1.675 0.000 7.470) 7.655 4.389 ( -1.812 0.000 9.570) 9.740 4.718 ( -0.248 -0.000 -4.674) 4.680 4.864 ( 3.809 -0.000 -9.368) 10.112 5.122 ( 5.928 -0.000 -22.062) 22.845 5.742 ( -16.662 0.000 5.463) 17.534 6.291 ( -17.931 0.000 19.722) 26.655 7.496 ( -17.984 -0.000 -14.143) 22.879 7.829 ( -6.026 -0.000 -4.587) 7.573 7.988 ( 11.451 -0.000 -5.001) 12.496 8.597 ( -0.494 -0.000 -6.311) 6.330 8.695 ( 10.377 -0.000 -2.541) 10.684 9.280 ( -2.109 -0.000 -5.439) 5.833 11.545 ( -22.899 0.000 21.170) 31.185 12.222 ( -1.126 -0.000 -6.101) 6.204 12.775 ( -1.794 0.000 4.868) 5.188 13.069 ( -3.833 0.000 8.833) 9.629 13.819 ( 4.190 -0.000 -5.644) 7.029 13.850 ( 7.007 0.000 4.945) 8.576 14.247 ( 2.195 0.000 3.958) 4.526 15.295 ( -2.557 0.000 0.553) 2.616 15.764 ( -1.512 -0.000 -0.575) 1.617 16.000 ( -0.537 -0.000 -0.264) 0.598 16.013 ( 0.303 0.000 0.742) 0.801 16.340 ( 17.311 -0.000 -19.269) 25.903 16.428 ( 1.041 -0.000 -0.294) 1.082 16.873 ( -0.132 0.000 3.429) 3.432 16.945 ( 1.598 0.000 4.413) 4.693 17.286 ( 1.569 -0.000 -5.381) 5.605 17.436 ( -7.598 0.000 4.527) 8.844 17.844 ( 0.825 0.000 4.739) 4.811 17.876 ( -1.938 0.000 12.255) 12.408 18.517 ( 0.490 0.000 0.384) 0.622 19.188 ( 18.501 -0.000 -17.159) 25.234 ======================= Grid point 31 (29/160) ======================= q-point: ( 0.09 0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 3.565 5.256 5.007) 8.087 2.201 ( 2.147 20.457 6.768) 21.654 2.734 ( -0.959 1.117 0.477) 1.547 2.941 ( -5.558 3.187 -2.710) 6.957 3.704 ( 0.414 -0.865 -0.090) 0.964 3.815 ( 0.526 -0.883 -1.355) 1.701 3.963 ( 6.679 0.920 3.760) 7.719 4.153 ( 0.233 5.390 0.898) 5.469 4.271 ( 0.936 9.902 2.652) 10.294 4.556 ( 4.964 -6.626 -2.483) 8.643 4.768 ( -1.719 -5.132 2.082) 5.799 5.076 ( -4.837 -6.246 -0.029) 7.900 5.423 ( 1.393 5.596 1.707) 6.014 6.419 ( 6.369 -3.110 -0.267) 7.093 6.463 ( 11.157 0.646 -4.690) 12.120 7.157 ( -12.702 -2.703 1.224) 13.044 7.443 ( -3.916 -6.281 -0.029) 7.402 8.097 ( -1.213 -17.541 -1.380) 17.637 8.983 ( -0.525 12.464 1.590) 12.576 9.803 ( 0.709 11.430 2.647) 11.754 10.505 ( 23.106 3.872 9.012) 25.102 11.691 ( 3.640 -7.809 -2.206) 8.894 11.980 ( -15.538 4.663 -4.251) 16.770 12.610 ( 0.021 -7.390 -2.194) 7.709 13.051 ( 12.104 -7.643 -7.853) 16.328 13.312 ( -3.176 9.975 3.553) 11.055 13.618 ( -7.602 -0.831 4.340) 8.793 14.032 ( -1.211 11.604 -2.005) 11.837 15.447 ( 2.260 -0.621 -0.152) 2.348 15.903 ( 0.757 -4.390 -0.059) 4.455 16.074 ( 0.949 -1.368 0.224) 1.680 16.191 ( -0.232 -5.681 -0.382) 5.698 16.228 ( 4.492 0.966 2.376) 5.173 16.297 ( -2.249 -2.387 -1.277) 3.520 16.537 ( -4.067 -13.825 -0.466) 14.419 17.033 ( 0.934 14.510 -1.447) 14.612 17.181 ( -3.523 14.599 0.723) 15.036 17.354 ( -2.090 6.745 -1.527) 7.225 17.524 ( 0.198 -5.178 0.406) 5.197 17.817 ( 0.588 4.120 -0.060) 4.162 18.337 ( -1.013 -0.317 -0.316) 1.107 19.049 ( 0.004 -8.691 -0.489) 8.705 ======================= Grid point 32 (30/160) ======================= q-point: (-0.41 0.08 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 7.907 -23.483 -7.382) 25.855 1.864 ( 15.945 -19.536 -10.789) 27.428 2.735 ( 5.194 -0.761 3.530) 6.325 3.060 ( 3.255 12.042 13.040) 18.045 3.451 ( 5.922 14.369 4.177) 16.093 3.840 ( -1.470 -21.210 -2.871) 21.454 3.947 ( 0.488 2.208 -0.206) 2.271 4.101 ( -1.094 -2.699 -11.869) 12.221 4.290 ( -3.129 -6.484 -0.586) 7.223 4.707 ( -0.517 -11.575 -6.910) 13.490 4.879 ( -1.913 0.378 3.921) 4.379 4.980 ( 6.137 -0.674 -2.641) 6.715 5.351 ( 6.596 -3.935 4.131) 8.721 5.928 ( 2.813 2.980 -3.271) 5.243 5.982 ( -1.875 -19.770 -7.203) 21.124 6.690 ( 0.181 33.168 7.185) 33.938 7.110 ( -3.055 23.319 -1.909) 23.596 8.332 ( 3.938 -5.620 -4.390) 8.146 8.493 ( 10.178 -6.173 -6.467) 13.547 9.756 ( 0.316 -24.537 -2.108) 24.629 10.375 ( 3.114 -23.556 -7.998) 25.071 10.819 ( 8.281 11.175 0.672) 13.925 11.886 ( -0.094 21.009 7.090) 22.174 12.069 ( 5.211 13.651 7.477) 16.413 13.357 ( -4.013 -16.447 -4.259) 17.457 13.733 ( -1.246 -1.543 -3.403) 3.939 14.006 ( -3.895 -2.525 0.955) 4.739 14.796 ( -3.010 -6.480 1.471) 7.295 14.981 ( 5.789 -3.906 -0.130) 6.984 15.457 ( 4.748 16.429 0.071) 17.101 15.621 ( 2.142 6.179 1.303) 6.669 15.922 ( 0.075 4.330 -2.372) 4.938 16.458 ( -5.979 1.857 0.281) 6.267 16.650 ( -10.128 -0.747 -1.014) 10.206 16.737 ( -0.706 -8.466 0.837) 8.536 17.101 ( 4.607 3.890 0.078) 6.030 17.583 ( -0.003 -3.345 1.537) 3.682 17.892 ( -2.020 -5.444 1.500) 5.997 17.906 ( -0.799 -1.904 6.319) 6.648 18.123 ( -1.379 -8.873 5.856) 10.720 18.367 ( -1.438 5.226 -0.133) 5.422 18.876 ( -5.611 6.760 -2.650) 9.176 ======================= Grid point 33 (31/160) ======================= q-point: ( 0.09 -0.26 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -20.246 12.976 -5.506) 24.670 1.346 ( -17.020 19.128 -11.555) 28.090 2.306 ( -32.822 22.722 -19.779) 44.551 2.912 ( -4.718 -1.878 6.058) 7.905 3.625 ( 9.732 2.610 5.130) 11.307 3.825 ( -3.888 -3.276 4.101) 6.532 4.033 ( -4.714 0.063 7.576) 8.923 4.083 ( 1.941 -5.929 1.626) 6.447 4.304 ( -3.000 1.564 4.898) 5.953 4.531 ( 3.112 10.821 7.320) 13.430 4.601 ( 2.102 -6.900 -6.796) 9.910 4.937 ( -5.287 3.980 -9.273) 11.392 5.024 ( 6.091 0.889 -17.348) 18.407 6.048 ( -18.704 -5.014 5.617) 20.163 6.400 ( -11.687 -10.965 9.104) 18.431 7.519 ( 6.557 -5.728 -6.404) 10.808 7.663 ( 11.271 -7.376 -3.844) 14.008 8.370 ( -6.080 -7.447 -1.158) 9.683 8.430 ( -28.131 2.288 -7.636) 29.238 8.799 ( -3.053 13.455 -3.663) 14.275 9.486 ( -5.330 13.764 -4.897) 15.551 11.703 ( -14.156 -12.072 10.452) 21.339 12.351 ( 0.393 8.396 -3.694) 9.181 12.697 ( 2.508 -3.981 -1.170) 4.849 12.948 ( -10.973 -16.001 7.326) 20.740 13.610 ( 11.905 -3.421 -1.703) 12.503 13.753 ( 8.956 3.929 -0.420) 9.789 14.375 ( 5.644 12.475 4.936) 14.555 15.248 ( -6.044 -7.993 -0.407) 10.029 15.862 ( -0.358 1.441 -0.841) 1.706 15.971 ( -1.362 -3.882 -1.160) 4.274 16.041 ( -1.818 4.170 -0.296) 4.559 16.150 ( -4.197 -1.806 -3.123) 5.534 16.434 ( 10.716 -0.788 -1.700) 10.879 16.791 ( 2.198 -4.855 4.857) 7.210 17.094 ( 1.562 8.538 -2.891) 9.148 17.301 ( 3.407 7.169 1.910) 8.164 17.439 ( 5.633 6.709 -2.367) 9.074 17.873 ( 3.658 4.008 5.139) 7.474 18.000 ( 0.252 5.995 15.615) 16.728 18.470 ( 2.845 -1.178 -0.162) 3.084 18.930 ( 4.342 -5.813 -12.742) 14.663 ======================= Grid point 34 (32/160) ======================= q-point: (-0.41 0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 11.954 -13.524 0.000) 18.049 2.677 ( 12.069 -15.573 0.000) 19.702 3.000 ( 1.039 3.065 -0.000) 3.237 3.590 ( -3.392 7.115 -0.000) 7.883 3.862 ( -0.375 -4.778 0.000) 4.793 4.008 ( -2.753 -6.440 0.000) 7.004 4.105 ( -6.664 -2.940 0.000) 7.284 4.141 ( 12.917 6.451 -0.000) 14.439 4.304 ( 8.337 -4.869 0.000) 9.655 4.384 ( -9.429 2.771 -0.000) 9.828 4.531 ( 5.757 -13.924 0.000) 15.067 5.315 ( 8.985 1.799 -0.000) 9.164 5.442 ( -7.420 -28.748 0.000) 29.690 6.119 ( 9.051 16.458 -0.000) 18.783 6.435 ( 4.798 11.047 -0.000) 12.044 6.741 ( -2.217 24.689 -0.000) 24.788 6.947 ( 10.605 4.707 -0.000) 11.603 7.331 ( -24.560 5.207 -0.000) 25.106 9.674 ( -1.393 -20.828 0.000) 20.875 9.906 ( 20.901 -2.534 0.000) 21.054 10.943 ( 18.778 -21.531 0.000) 28.569 11.694 ( 16.254 10.128 -0.000) 19.151 11.757 ( -9.630 13.638 -0.000) 16.695 12.323 ( -29.269 6.500 -0.000) 29.982 13.082 ( 21.734 11.521 -0.000) 24.599 13.103 ( -20.457 -9.034 0.000) 22.363 13.990 ( 7.426 -17.370 0.000) 18.890 14.532 ( -6.683 -2.165 0.000) 7.025 15.423 ( 4.526 -4.248 0.000) 6.207 15.692 ( 0.657 6.561 -0.000) 6.593 15.921 ( -7.746 1.410 -0.000) 7.873 15.951 ( 1.465 5.274 -0.000) 5.473 15.956 ( 6.705 7.499 -0.000) 10.059 16.052 ( -5.170 8.039 -0.000) 9.558 16.761 ( -0.076 -13.345 0.000) 13.345 17.159 ( -0.955 1.967 -0.000) 2.187 17.605 ( -8.156 -10.008 0.000) 12.910 17.661 ( 2.838 -3.607 0.000) 4.590 17.892 ( -0.363 -1.913 0.000) 1.947 18.037 ( -6.082 0.988 -0.000) 6.162 18.369 ( -1.381 -0.087 -0.000) 1.384 18.450 ( 1.930 7.751 -0.000) 7.988 ======================= Grid point 35 (33/160) ======================= q-point: ( 0.09 0.08 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 15.194 16.169 9.468) 24.123 0.954 ( 24.415 10.862 14.609) 30.455 1.803 ( 17.579 40.860 28.852) 53.019 2.818 ( 4.679 -1.530 -2.220) 5.400 3.679 ( 1.119 -7.954 -7.914) 11.277 3.864 ( 4.171 -2.622 -3.014) 5.775 3.884 ( -0.729 0.681 -0.335) 1.052 4.157 ( -3.680 -4.929 -0.156) 6.153 4.265 ( 1.591 0.456 -8.452) 8.612 4.560 ( -0.195 4.319 -5.076) 6.667 4.695 ( -6.609 4.466 1.670) 8.150 4.872 ( 1.247 3.647 7.723) 8.632 5.147 ( -7.087 2.168 18.591) 20.013 5.700 ( 16.945 -3.865 -5.960) 18.374 6.142 ( 15.366 -10.196 -6.570) 19.576 7.552 ( 7.614 2.326 10.382) 13.083 7.787 ( 11.968 -3.597 5.492) 13.650 7.830 ( -2.119 -10.945 4.171) 11.903 8.551 ( -7.878 -9.318 2.752) 12.508 8.753 ( 1.768 13.948 5.275) 15.017 9.413 ( 2.439 12.752 5.324) 14.032 11.359 ( 20.618 -12.424 -8.716) 25.602 12.341 ( 0.836 10.209 4.823) 11.322 12.701 ( 2.675 -6.794 -5.012) 8.856 12.810 ( 2.580 -13.551 -0.365) 13.799 13.777 ( -5.568 -2.943 3.272) 7.097 13.894 ( -5.523 3.143 -2.389) 6.789 14.466 ( -3.712 11.945 -7.070) 14.369 15.152 ( 3.807 -9.889 -0.078) 10.597 15.875 ( -1.420 -2.553 1.725) 3.393 15.950 ( 0.860 -5.242 0.418) 5.328 15.999 ( 2.238 10.600 -0.294) 10.838 16.094 ( 1.866 -5.218 6.439) 8.496 16.689 ( -14.850 -0.532 1.506) 14.936 16.827 ( -2.658 -0.863 -4.787) 5.543 17.106 ( 0.713 5.086 3.273) 6.090 17.337 ( -0.132 7.743 -6.257) 9.956 17.495 ( -0.131 6.010 0.479) 6.031 17.911 ( 0.270 6.736 -6.665) 9.480 18.026 ( -2.786 9.089 -17.087) 19.553 18.502 ( -0.520 -1.536 -0.290) 1.647 19.101 ( -13.111 -7.095 13.807) 20.320 ======================= Grid point 36 (34/160) ======================= q-point: (-0.41 -0.26 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -3.374 -10.315 -17.574) 20.655 2.581 ( -10.664 0.576 -4.061) 11.425 2.825 ( -8.236 7.015 -7.670) 13.262 3.029 ( -12.019 3.674 -3.848) 13.144 3.515 ( -6.188 10.613 0.694) 12.305 3.853 ( 7.811 -9.581 -3.279) 12.789 3.887 ( -0.225 -3.751 2.897) 4.745 4.083 ( 2.153 3.277 4.205) 5.749 4.475 ( 3.350 2.919 -7.309) 8.553 4.640 ( 2.492 4.765 -3.289) 6.303 4.846 ( -7.039 -11.908 12.245) 18.474 5.189 ( -2.821 -15.693 -3.564) 16.338 5.602 ( -2.166 -7.701 -5.828) 9.898 5.918 ( -7.358 -2.246 2.164) 7.992 6.252 ( -1.403 -8.179 -3.152) 8.877 6.430 ( -5.716 36.485 7.587) 37.701 6.985 ( 6.982 24.703 1.370) 25.707 8.100 ( 15.346 -2.658 3.756) 16.021 9.271 ( -26.505 2.049 -0.468) 26.588 10.022 ( -10.713 -17.566 -12.075) 23.856 10.711 ( 3.167 -14.040 -1.869) 14.513 10.968 ( -4.251 9.261 -6.472) 12.071 11.647 ( -4.995 19.909 6.855) 21.641 11.964 ( -15.332 0.454 6.356) 16.603 13.128 ( 18.073 -7.459 4.140) 19.985 13.940 ( 0.160 -6.533 -4.752) 8.080 13.960 ( 1.777 0.142 -2.643) 3.187 14.582 ( 4.800 -11.743 5.430) 13.799 15.124 ( -9.991 -4.491 0.716) 10.978 15.571 ( -5.257 9.408 1.095) 10.833 15.576 ( -5.590 8.924 1.601) 10.651 16.023 ( 1.792 7.979 -3.128) 8.756 16.313 ( 9.552 1.678 0.890) 9.739 16.420 ( 10.489 2.918 1.329) 10.968 16.741 ( 0.114 -13.897 -1.732) 14.005 17.101 ( -2.080 4.655 1.944) 5.457 17.404 ( -2.301 -10.024 7.554) 12.760 17.797 ( 0.880 -5.660 -1.167) 5.846 17.885 ( 2.366 -7.218 -2.633) 8.040 18.060 ( 1.592 -7.092 -1.868) 7.504 18.344 ( 3.259 4.632 -1.844) 5.956 18.722 ( 5.792 5.344 3.530) 8.635 ======================= Grid point 37 (35/160) ======================= q-point: (-0.29 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 17.619 -15.865 0.000) 23.709 1.999 ( 17.388 -20.328 0.000) 26.750 3.029 ( 4.908 3.962 -0.000) 6.308 3.291 ( 22.863 -32.960 0.000) 40.113 3.628 ( -7.184 -8.113 0.000) 10.836 3.877 ( -3.471 1.995 -0.000) 4.004 3.986 ( 12.269 2.944 -0.000) 12.618 4.211 ( 3.916 7.923 -0.000) 8.838 4.269 ( -5.265 5.537 -0.000) 7.641 4.463 ( 4.941 3.129 -0.000) 5.848 4.588 ( -6.248 2.045 -0.000) 6.575 4.992 ( -7.023 -26.660 0.000) 27.570 5.080 ( 9.413 -4.220 0.000) 10.316 6.231 ( 13.657 13.364 -0.000) 19.108 6.445 ( 14.019 12.240 -0.000) 18.610 7.137 ( -7.921 9.630 -0.000) 12.469 7.250 ( -8.624 13.696 -0.000) 16.185 7.910 ( -15.052 13.395 -0.000) 20.149 9.205 ( 2.945 -21.536 0.000) 21.736 9.265 ( 37.053 -6.007 0.000) 37.537 10.048 ( 17.615 -24.591 0.000) 30.249 11.751 ( 10.618 14.486 -0.000) 17.961 12.203 ( -8.617 10.938 -0.000) 13.925 12.728 ( -10.809 -11.983 0.000) 16.137 12.975 ( 17.294 14.812 -0.000) 22.770 13.250 ( -13.340 -0.539 -0.000) 13.351 13.694 ( -6.634 -7.923 0.000) 10.333 14.520 ( -6.323 -9.470 0.000) 11.387 15.266 ( 8.240 2.328 -0.000) 8.562 15.834 ( 0.979 8.027 -0.000) 8.087 15.952 ( 5.702 2.867 -0.000) 6.382 16.023 ( 1.631 3.580 -0.000) 3.934 16.147 ( -9.532 4.668 -0.000) 10.613 16.275 ( -1.304 -0.466 0.000) 1.385 16.620 ( -5.310 0.840 -0.000) 5.376 17.134 ( -0.253 -4.181 0.000) 4.189 17.508 ( -2.100 -10.078 0.000) 10.294 17.510 ( -6.372 -12.795 0.000) 14.294 17.908 ( -3.659 -1.379 0.000) 3.911 18.177 ( -9.436 -2.500 0.000) 9.761 18.383 ( -0.113 0.500 -0.000) 0.513 18.621 ( 1.072 9.945 -0.000) 10.003 ======================= Grid point 38 (36/160) ======================= q-point: ( 0.21 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -0.000 24.251 11.958) 27.039 1.141 ( -0.000 26.282 3.553) 26.521 2.701 ( -0.000 52.333 19.149) 55.726 2.732 ( 0.000 -1.724 -0.903) 1.946 3.516 ( -0.000 -8.101 -11.162) 13.792 3.660 ( 0.000 -4.846 -2.562) 5.482 3.926 ( 0.000 -1.118 6.180) 6.281 4.063 ( 0.000 -8.379 0.128) 8.380 4.281 ( -0.000 1.913 -5.554) 5.874 4.540 ( 0.000 -1.367 2.933) 3.236 4.740 ( 0.000 -0.194 7.024) 7.026 5.191 ( -0.000 11.512 -3.333) 11.985 5.347 ( -0.000 -8.131 -12.243) 14.697 5.434 ( -0.000 17.225 10.779) 20.320 5.853 ( 0.000 -4.745 6.609) 8.136 7.397 ( 0.000 -24.567 -1.805) 24.633 7.508 ( 0.000 -19.087 4.069) 19.515 7.680 ( -0.000 16.617 9.178) 18.983 8.491 ( 0.000 -3.043 2.050) 3.669 9.146 ( -0.000 25.166 4.541) 25.573 9.743 ( -0.000 21.313 5.052) 21.904 10.957 ( 0.000 -9.418 -1.824) 9.593 12.377 ( 0.000 -12.553 -3.494) 13.030 12.449 ( 0.000 -13.145 -5.344) 14.190 12.822 ( -0.000 18.271 5.580) 19.104 13.767 ( 0.000 -3.311 2.972) 4.449 14.011 ( -0.000 3.369 -2.289) 4.073 14.700 ( -0.000 8.645 -2.998) 9.150 14.943 ( 0.000 -5.298 -0.102) 5.299 15.741 ( 0.000 -13.735 -0.113) 13.736 15.749 ( 0.000 -6.596 0.176) 6.598 15.955 ( 0.000 -5.421 3.903) 6.679 16.357 ( -0.000 19.080 -0.245) 19.081 16.680 ( 0.000 -6.392 -4.811) 8.000 16.893 ( 0.000 -7.202 5.625) 9.139 17.026 ( -0.000 1.205 -0.170) 1.217 17.538 ( -0.000 7.805 -5.689) 9.658 17.700 ( -0.000 11.876 1.235) 11.940 18.049 ( -0.000 3.881 -5.932) 7.089 18.181 ( -0.000 4.331 -15.307) 15.907 18.458 ( 0.000 -3.185 0.435) 3.214 19.037 ( 0.000 -10.373 7.075) 12.556 ======================= Grid point 39 (37/160) ======================= q-point: (-0.29 -0.38 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.324 -8.895 -14.315) 16.857 2.726 ( -7.380 -5.495 -11.772) 14.941 2.960 ( -1.765 -11.159 -11.175) 15.891 3.083 ( 10.771 -2.571 4.029) 11.784 3.591 ( -5.911 2.734 0.152) 6.515 3.766 ( -2.529 2.655 -3.542) 5.098 3.853 ( -5.278 -3.376 4.995) 8.012 4.189 ( -1.063 3.238 0.558) 3.454 4.438 ( 1.313 -1.511 -5.943) 6.271 4.644 ( 2.251 3.603 -1.742) 4.592 4.807 ( 2.185 -17.301 -3.145) 17.719 4.918 ( 0.469 7.080 6.817) 9.839 5.525 ( -1.775 -5.070 -1.898) 5.697 6.103 ( -16.487 -1.852 2.851) 16.834 6.282 ( -7.103 0.815 -4.024) 8.204 7.146 ( 1.577 21.370 8.018) 22.879 7.290 ( 6.622 18.305 -2.690) 19.651 7.799 ( 13.881 7.256 5.429) 16.578 9.348 ( -0.054 -14.856 -0.655) 14.870 10.174 ( -11.603 -13.772 -12.004) 21.643 10.349 ( -19.323 -10.428 -8.932) 23.704 11.332 ( -5.678 13.601 -1.504) 14.815 12.061 ( -0.822 10.182 7.244) 12.523 12.380 ( -15.589 7.048 8.027) 18.897 12.604 ( 15.568 -5.407 6.424) 17.688 13.721 ( 1.281 -13.948 -5.850) 15.179 13.851 ( 9.153 0.674 -3.312) 9.757 14.245 ( 1.143 -13.581 5.370) 14.649 15.296 ( -8.960 1.709 0.756) 9.153 15.742 ( -2.330 6.938 1.132) 7.406 15.940 ( -4.079 8.667 0.478) 9.591 16.115 ( 3.788 5.846 -1.962) 7.237 16.226 ( 1.691 0.377 1.138) 2.073 16.326 ( 6.493 4.122 -0.597) 7.714 16.491 ( 3.412 -4.219 -1.222) 5.562 17.176 ( -3.033 -6.814 4.602) 8.764 17.273 ( -2.254 -3.516 6.948) 8.107 17.560 ( 3.937 -12.312 0.412) 12.933 17.687 ( 2.512 -6.159 -6.169) 9.072 17.926 ( -0.080 -4.582 -1.964) 4.986 18.356 ( 2.136 1.668 -1.324) 3.016 18.804 ( 2.019 9.855 3.995) 10.824 ======================= Grid point 40 (38/160) ======================= q-point: ( 0.21 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 7.921 11.540 12.084) 18.492 2.491 ( 11.175 14.394 12.814) 22.277 2.801 ( -0.686 1.370 4.023) 4.305 3.168 ( -7.048 6.312 -4.655) 10.544 3.621 ( 5.423 -0.973 -2.748) 6.157 3.742 ( 2.984 -1.181 -1.878) 3.718 3.896 ( 3.020 2.660 0.674) 4.081 4.184 ( 1.252 -3.607 3.222) 4.995 4.345 ( 5.189 -0.328 2.685) 5.851 4.578 ( -4.538 10.160 2.401) 11.384 4.719 ( 1.213 7.564 5.593) 9.485 5.064 ( -2.419 -4.034 -6.146) 7.740 5.453 ( 5.177 4.325 5.349) 8.609 6.174 ( 9.442 -3.841 -1.386) 10.288 6.216 ( 11.786 0.109 -0.430) 11.794 7.262 ( -3.233 -21.634 -0.309) 21.876 7.264 ( -7.156 -15.663 -2.863) 17.456 7.874 ( -14.924 -8.773 -2.459) 17.485 9.325 ( 0.739 18.906 1.871) 19.013 9.859 ( 29.658 7.470 17.666) 35.319 10.240 ( 9.406 19.812 4.839) 22.459 11.354 ( 6.847 -14.217 -4.079) 16.299 12.172 ( -1.625 -13.146 -4.277) 13.919 12.552 ( 12.779 -7.698 -9.266) 17.561 12.714 ( -12.429 5.279 -4.727) 14.308 13.601 ( -3.704 10.112 6.722) 12.695 13.780 ( -6.629 2.283 3.749) 7.951 14.348 ( -3.806 13.463 -5.114) 14.896 15.306 ( 8.848 -1.805 -0.136) 9.031 15.768 ( 1.833 -5.475 -1.631) 6.000 15.941 ( 4.087 -8.449 0.511) 9.400 16.085 ( -2.324 -6.880 1.045) 7.337 16.247 ( -1.543 0.906 -0.950) 2.026 16.293 ( -6.816 -3.527 2.801) 8.170 16.492 ( -3.929 2.609 -1.437) 4.931 17.281 ( 2.208 5.540 -5.837) 8.345 17.354 ( 0.603 2.733 0.151) 2.803 17.586 ( -4.770 10.589 -3.501) 12.131 17.601 ( -3.774 9.215 2.385) 10.240 17.898 ( 0.151 4.875 0.122) 4.879 18.352 ( -1.983 -1.572 -0.729) 2.633 18.851 ( -3.055 -11.401 -0.649) 11.821 ======================= Grid point 41 (39/160) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 -16.682 -17.418) 24.118 1.361 ( 0.000 -16.761 -19.528) 25.735 2.700 ( -0.000 2.252 2.553) 3.404 3.116 ( 0.000 -41.375 -21.031) 46.413 3.312 ( -0.000 13.607 7.436) 15.506 3.631 ( -0.000 8.709 0.045) 8.709 4.020 ( -0.000 2.647 0.121) 2.650 4.108 ( -0.000 1.246 -7.932) 8.030 4.198 ( 0.000 -5.520 2.752) 6.168 4.595 ( -0.000 -1.950 -3.194) 3.743 4.845 ( 0.000 -4.710 -0.609) 4.750 5.078 ( 0.000 -12.359 2.914) 12.698 5.101 ( -0.000 11.112 12.944) 17.060 5.715 ( -0.000 -7.410 -15.062) 16.786 5.932 ( -0.000 0.524 -1.193) 1.303 7.347 ( -0.000 28.696 3.778) 28.943 7.576 ( -0.000 18.592 -2.506) 18.760 7.934 ( -0.000 -11.497 -16.848) 20.397 8.513 ( -0.000 2.787 0.401) 2.815 9.262 ( 0.000 -22.309 -7.106) 23.414 9.883 ( 0.000 -20.692 -9.351) 22.707 10.920 ( -0.000 7.987 1.545) 8.135 12.275 ( -0.000 16.455 7.055) 17.904 12.313 ( -0.000 13.193 8.377) 15.628 12.964 ( 0.000 -18.964 -8.783) 20.899 13.791 ( 0.000 1.443 2.407) 2.806 13.990 ( 0.000 -2.160 -1.650) 2.719 14.618 ( 0.000 -12.801 5.500) 13.933 14.939 ( -0.000 5.100 0.341) 5.111 15.738 ( -0.000 13.941 0.174) 13.942 15.747 ( -0.000 7.621 0.589) 7.643 16.041 ( -0.000 7.020 -4.728) 8.463 16.351 ( 0.000 -19.132 0.435) 19.137 16.604 ( -0.000 5.384 2.776) 6.057 16.975 ( -0.000 8.669 -1.857) 8.866 17.021 ( 0.000 -1.542 0.259) 1.564 17.405 ( 0.000 -13.412 6.921) 15.093 17.729 ( 0.000 -9.558 -1.611) 9.693 17.910 ( 0.000 -5.626 7.137) 9.088 17.944 ( 0.000 -5.568 9.316) 10.853 18.465 ( -0.000 2.932 -0.387) 2.957 19.103 ( -0.000 9.335 0.155) 9.337 ======================= Grid point 42 (40/160) ======================= q-point: ( 0.21 -0.38 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -17.241 15.549 -1.314) 23.253 2.067 ( -16.696 19.458 -6.915) 26.556 2.944 ( -3.270 -2.076 7.396) 8.349 3.333 ( -13.940 26.932 -1.712) 30.375 3.619 ( 0.301 9.363 -0.589) 9.386 3.866 ( -3.408 -2.542 5.086) 6.629 3.944 ( -3.399 -4.260 -1.741) 5.721 4.066 ( -0.101 -2.986 9.487) 9.946 4.328 ( -3.443 -6.902 -2.245) 8.033 4.487 ( -2.177 -2.323 -3.961) 5.082 4.645 ( 6.209 3.611 -0.558) 7.205 5.021 ( 6.052 16.906 -4.673) 18.554 5.171 ( -7.872 5.429 -7.556) 12.187 6.190 ( -13.582 -11.529 3.308) 18.120 6.411 ( -13.315 -10.143 3.597) 17.120 7.190 ( 7.938 -11.085 -4.568) 14.379 7.258 ( 7.628 -15.282 -0.702) 17.095 7.909 ( 15.236 -12.707 0.190) 19.840 9.225 ( -2.517 21.592 -2.157) 21.845 9.340 ( -36.475 6.199 -7.598) 37.770 10.074 ( -16.351 24.063 -2.730) 29.220 11.659 ( -9.002 -13.880 8.374) 18.542 12.222 ( 6.492 -11.943 -1.212) 13.647 12.736 ( 11.610 9.539 -0.413) 15.032 12.907 ( -15.575 -12.270 6.004) 20.716 13.322 ( 10.997 0.979 -6.405) 12.764 13.698 ( 5.851 7.847 -0.546) 9.803 14.498 ( 6.080 10.258 2.291) 12.143 15.278 ( -8.305 -2.363 -1.078) 8.701 15.831 ( -0.885 -5.753 0.664) 5.858 15.925 ( -4.494 -5.576 1.251) 7.270 16.055 ( -2.427 -5.566 -1.751) 6.320 16.165 ( 9.383 -2.645 -2.122) 9.977 16.273 ( 1.427 0.201 0.257) 1.464 16.594 ( 4.890 -0.152 2.488) 5.489 17.175 ( 0.442 3.098 -4.016) 5.092 17.472 ( 2.473 12.285 2.646) 12.808 17.535 ( 5.126 10.441 -1.456) 11.722 17.846 ( 4.361 2.089 6.245) 7.898 18.067 ( 3.603 3.825 7.787) 9.394 18.395 ( 1.892 -1.139 0.226) 2.220 18.708 ( 1.680 -10.708 -6.942) 12.872 ======================= Grid point 43 (41/160) ======================= q-point: ( 0.33 0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 6.906 14.831 14.346) 21.759 2.435 ( 16.919 10.271 10.554) 22.430 2.739 ( 3.222 -3.236 -0.483) 4.592 3.056 ( 12.826 -8.392 -5.327) 16.227 3.530 ( 7.301 -12.005 -1.564) 14.137 3.799 ( -5.544 9.729 1.473) 11.295 3.932 ( -0.670 2.193 -1.406) 2.690 4.169 ( -5.177 2.540 -2.963) 6.483 4.301 ( -1.099 0.252 9.241) 9.310 4.643 ( -2.131 -7.391 -2.856) 8.205 5.036 ( 4.742 20.845 5.061) 21.969 5.071 ( 4.395 8.494 -3.035) 10.034 5.477 ( 6.873 8.522 4.865) 11.981 5.978 ( 3.687 -2.427 -2.553) 5.099 6.143 ( 2.032 9.197 7.631) 12.122 6.572 ( 3.165 -35.565 -7.130) 36.410 7.024 ( -6.015 -22.961 -1.843) 23.807 8.150 ( -15.566 0.987 -1.314) 15.653 9.197 ( 33.734 3.943 7.669) 34.819 9.839 ( 2.816 21.094 6.290) 22.192 10.614 ( 3.685 23.109 7.605) 24.605 10.923 ( 4.785 -15.011 -1.719) 15.849 11.774 ( 2.461 -20.639 -6.225) 21.697 12.097 ( 13.929 -6.889 -7.341) 17.186 13.190 ( -15.783 7.082 -1.996) 17.414 13.833 ( -1.608 7.418 6.347) 9.894 13.923 ( -2.152 2.788 1.005) 3.663 14.670 ( -5.041 8.649 -3.619) 10.645 15.133 ( 9.849 4.279 -0.170) 10.740 15.577 ( 7.584 -14.572 -0.106) 16.428 15.626 ( 3.042 -3.793 -2.858) 5.640 15.966 ( -0.683 -6.871 2.615) 7.383 16.320 ( -8.807 -1.894 0.137) 9.009 16.433 ( -12.061 -2.795 0.113) 12.381 16.722 ( -0.341 13.239 0.080) 13.243 17.144 ( 2.402 -6.523 -2.189) 7.287 17.533 ( 0.895 8.447 -4.860) 9.786 17.800 ( -0.832 3.695 -2.038) 4.301 17.841 ( -3.125 6.642 1.340) 7.462 18.040 ( -1.719 7.939 -0.141) 8.124 18.328 ( -2.334 -4.784 -0.028) 5.323 18.765 ( -7.154 -6.469 -0.713) 9.672 ======================= Grid point 44 (42/160) ======================= q-point: (-0.17 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -9.226 -5.616 -22.444) 24.908 1.310 ( -16.936 -8.350 -21.546) 28.649 2.415 ( -10.922 -28.571 -32.353) 44.523 2.794 ( -4.255 0.976 0.067) 4.366 3.554 ( 1.933 11.127 4.016) 11.986 3.804 ( -2.654 2.339 0.908) 3.652 3.917 ( 9.387 -4.981 -1.007) 10.674 4.122 ( -1.968 0.097 3.358) 3.893 4.154 ( -0.577 0.544 3.111) 3.211 4.416 ( -0.064 -13.602 6.993) 15.295 4.736 ( 1.378 2.633 -2.145) 3.665 5.046 ( -2.626 0.764 -9.100) 9.502 5.360 ( 0.238 9.128 -0.145) 9.132 5.666 ( -10.382 -3.775 -6.027) 12.584 6.013 ( -8.787 0.344 7.169) 11.346 7.728 ( 3.017 10.084 -4.960) 11.636 7.855 ( 4.634 12.821 -0.012) 13.633 8.011 ( -24.756 -4.755 -18.046) 31.002 8.554 ( 8.284 7.952 2.841) 11.829 8.894 ( -0.127 -13.056 -9.013) 15.865 9.559 ( -2.042 -12.491 -9.548) 15.854 11.207 ( -14.796 6.279 6.597) 17.374 12.448 ( 0.249 -2.219 -4.849) 5.339 12.570 ( -3.967 7.128 7.729) 11.238 12.781 ( -0.367 5.354 1.763) 5.649 13.733 ( 6.351 -1.297 7.414) 9.848 13.939 ( 3.631 0.420 -6.273) 7.260 14.317 ( 2.160 -13.572 8.214) 16.010 15.145 ( -4.151 9.380 0.559) 10.273 15.887 ( 1.359 3.439 0.199) 3.704 15.957 ( -1.301 5.436 -0.352) 5.601 15.991 ( -2.191 -12.698 0.610) 12.900 16.208 ( -0.172 9.319 -4.847) 10.506 16.696 ( 4.354 6.198 1.723) 7.768 16.756 ( 11.297 -4.949 1.544) 12.430 17.084 ( -0.029 -16.130 6.077) 17.237 17.287 ( -6.788 6.567 -2.885) 9.876 17.536 ( 1.106 -7.185 -2.939) 7.841 17.752 ( -0.947 -6.836 7.244) 10.005 17.819 ( 4.364 -5.447 8.540) 11.030 18.493 ( 1.388 1.305 0.489) 1.967 19.212 ( 6.962 7.281 0.417) 10.083 ======================= Grid point 45 (43/160) ======================= q-point: ( 0.33 -0.49 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -11.204 13.435 0.558) 17.502 2.710 ( -11.208 12.253 -2.919) 16.860 2.946 ( -1.167 1.136 4.622) 4.900 3.551 ( 3.616 -2.590 4.761) 6.515 3.861 ( 0.688 1.743 2.218) 2.903 3.946 ( -1.037 0.784 5.735) 5.880 3.956 ( 2.426 -1.571 6.371) 6.996 4.102 ( -5.679 8.663 5.494) 11.725 4.287 ( -3.024 -6.683 -2.488) 7.746 4.479 ( 3.838 -5.086 -2.755) 6.941 4.674 ( -4.314 18.940 -12.526) 23.114 5.327 ( -4.585 5.805 -0.325) 7.404 5.474 ( 3.212 20.882 -3.583) 21.429 6.116 ( -8.729 -14.185 0.044) 16.656 6.426 ( -5.192 -10.745 1.032) 11.979 6.719 ( 2.608 -25.084 2.031) 25.301 6.981 ( -10.569 -6.533 -2.896) 12.758 7.344 ( 24.108 -4.867 -1.305) 24.629 9.700 ( 1.162 21.689 -2.566) 21.871 9.978 ( -20.381 2.719 -7.273) 21.810 10.909 ( -14.880 19.875 3.563) 25.082 11.531 ( -7.033 -12.134 11.138) 17.910 11.850 ( -1.483 -11.931 -4.538) 12.851 12.336 ( 27.476 -5.952 -0.990) 28.131 13.026 ( -9.397 -2.520 3.189) 10.238 13.173 ( 8.263 -0.083 -4.498) 9.409 14.005 ( -7.110 17.282 -1.510) 18.748 14.524 ( 6.447 2.541 0.841) 6.981 15.432 ( -4.386 4.144 -0.877) 6.098 15.713 ( -0.698 -6.132 -2.006) 6.489 15.878 ( 0.494 -3.263 2.924) 4.409 15.937 ( -0.394 -4.804 0.521) 4.848 16.008 ( -0.754 -6.245 -2.939) 6.943 16.051 ( 5.203 -8.026 0.105) 9.566 16.745 ( 0.191 13.525 1.527) 13.612 17.171 ( 1.051 -3.416 -1.123) 3.746 17.616 ( 7.268 9.802 -0.928) 12.238 17.653 ( -2.731 3.814 0.700) 4.743 17.853 ( 1.089 4.425 3.266) 5.606 18.028 ( 3.676 -0.152 1.204) 3.871 18.355 ( 1.158 -0.258 1.300) 1.760 18.472 ( -0.341 -9.348 -2.010) 9.568 ======================= Grid point 46 (44/160) ======================= q-point: (-0.17 0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 21.115 -14.135 0.000) 25.410 1.215 ( 17.928 -24.129 0.000) 30.061 2.094 ( 38.235 -24.723 0.000) 45.531 2.994 ( 7.471 4.213 -0.000) 8.577 3.676 ( -11.428 -3.961 0.000) 12.095 3.886 ( 7.115 4.632 -0.000) 8.490 4.026 ( -7.141 2.215 -0.000) 7.477 4.203 ( 12.808 8.086 -0.000) 15.147 4.428 ( -4.217 -5.280 0.000) 6.757 4.470 ( -1.778 7.174 -0.000) 7.391 4.691 ( -2.050 0.171 -0.000) 2.057 4.699 ( -3.767 -11.974 0.000) 12.553 4.846 ( 3.878 -5.735 0.000) 6.923 6.111 ( 18.637 5.144 -0.000) 19.333 6.503 ( 10.742 16.813 -0.000) 19.951 7.448 ( -6.646 4.422 -0.000) 7.983 7.609 ( -9.917 4.428 -0.000) 10.861 8.329 ( 43.052 -5.698 0.000) 43.427 8.384 ( -7.340 10.653 -0.000) 12.937 8.764 ( 4.004 -13.339 0.000) 13.927 9.437 ( 5.696 -13.923 0.000) 15.043 11.825 ( 13.234 16.239 -0.000) 20.949 12.312 ( 0.305 -10.055 0.000) 10.060 12.672 ( -4.561 3.944 -0.000) 6.029 13.029 ( 12.730 18.248 -0.000) 22.250 13.576 ( -11.280 3.914 -0.000) 11.940 13.762 ( -10.523 -4.078 0.000) 11.285 14.428 ( -6.921 -11.747 0.000) 13.634 15.242 ( 5.853 8.342 -0.000) 10.191 15.849 ( 1.517 -6.229 0.000) 6.411 15.956 ( 0.805 5.248 -0.000) 5.309 16.036 ( 1.322 0.913 -0.000) 1.606 16.119 ( 6.370 -4.211 0.000) 7.636 16.418 ( -10.200 1.066 -0.000) 10.255 16.852 ( -2.945 5.908 -0.000) 6.602 17.044 ( -1.422 -5.646 0.000) 5.822 17.338 ( -3.906 -12.781 0.000) 13.365 17.407 ( -6.913 -5.491 0.000) 8.828 17.921 ( -2.983 -4.142 0.000) 5.105 18.274 ( -10.567 -6.773 0.000) 12.552 18.417 ( -1.177 1.758 -0.000) 2.115 18.735 ( 3.341 3.942 -0.000) 5.168 ======================= Grid point 47 (45/160) ======================= q-point: ( 0.33 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -19.165 26.384 5.400) 33.054 1.753 ( -6.128 26.211 -0.580) 26.924 2.790 ( -6.198 2.348 -1.992) 6.921 3.309 ( -1.477 -7.605 -10.732) 13.236 3.555 ( -4.928 -10.707 -5.664) 13.076 3.775 ( -3.035 35.291 3.007) 35.548 3.893 ( -3.786 -2.684 7.338) 8.683 3.938 ( 1.740 -0.404 1.702) 2.467 4.307 ( 2.171 3.289 -2.222) 4.524 4.565 ( 1.160 8.789 6.153) 10.791 4.810 ( -4.652 1.554 6.431) 8.088 5.039 ( 8.410 -4.032 -2.800) 9.738 5.438 ( -11.551 -4.018 -5.287) 13.324 5.820 ( -6.210 -5.782 7.393) 11.254 5.900 ( 4.319 27.943 1.224) 28.301 6.802 ( 0.586 -29.906 -4.450) 30.241 7.053 ( 2.873 -22.139 3.465) 22.592 8.245 ( -18.037 14.490 3.688) 23.429 8.399 ( 4.182 1.092 3.447) 5.528 9.720 ( -0.040 29.452 1.585) 29.495 10.256 ( -3.346 24.737 4.298) 25.329 10.846 ( -11.663 -13.625 -1.710) 18.016 11.996 ( 1.392 -21.308 -4.147) 21.753 12.188 ( -4.901 -15.772 -4.585) 17.140 13.282 ( 1.460 20.669 3.057) 20.945 13.660 ( 3.728 -0.324 3.463) 5.099 14.035 ( 4.202 2.937 -1.481) 5.336 14.811 ( 2.670 3.700 -0.247) 4.569 14.975 ( -5.298 3.835 0.307) 6.548 15.456 ( -4.303 -16.490 0.073) 17.043 15.633 ( -2.961 -7.448 -0.109) 8.016 15.882 ( -0.507 -1.646 1.622) 2.366 16.485 ( 6.772 -3.335 -2.214) 7.867 16.620 ( 10.855 -0.577 1.966) 11.047 16.747 ( -0.984 9.826 -0.231) 9.878 17.092 ( -4.282 -2.524 0.694) 5.019 17.603 ( 0.135 -1.910 -0.724) 2.047 17.914 ( 2.249 9.748 -0.967) 10.051 18.023 ( 2.033 -1.343 -4.810) 5.392 18.287 ( 1.743 5.960 -10.488) 12.189 18.365 ( 0.597 -5.236 0.123) 5.271 18.778 ( 6.600 -7.124 7.262) 12.126 ======================= Grid point 48 (46/160) ======================= q-point: (-0.17 0.51 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 6.508 -4.511 -6.958) 10.541 2.316 ( 11.517 -19.626 -4.204) 23.141 2.822 ( -0.145 -0.083 -7.624) 7.626 2.933 ( -0.246 -5.867 -3.619) 6.898 3.767 ( -2.236 3.377 -2.404) 4.710 3.835 ( 0.204 2.073 -3.807) 4.340 3.963 ( -3.976 0.794 1.408) 4.292 4.143 ( 1.616 -3.965 1.267) 4.465 4.300 ( 5.855 -11.529 -0.419) 12.937 4.542 ( -5.172 1.349 -0.007) 5.346 4.801 ( 2.792 7.131 -2.114) 7.944 5.017 ( 4.691 8.540 5.566) 11.221 5.400 ( 2.273 -7.003 3.774) 8.274 6.430 ( -19.410 -1.348 -0.702) 19.470 6.472 ( -7.135 2.484 -5.203) 9.173 7.164 ( 13.775 3.082 0.102) 14.116 7.375 ( 4.575 6.218 6.650) 10.189 8.064 ( -1.650 17.470 1.954) 17.656 9.018 ( 3.420 -11.307 -1.946) 11.972 9.832 ( 4.425 -11.310 -0.521) 12.156 10.706 ( -7.315 -2.860 -11.707) 14.098 11.670 ( -6.092 7.534 1.896) 9.872 11.897 ( 6.653 -5.428 2.491) 8.940 12.512 ( -4.256 5.533 7.840) 10.498 12.905 ( -14.575 8.233 6.690) 18.027 13.373 ( 2.604 -13.289 -2.350) 13.744 13.701 ( 11.364 4.222 -4.036) 12.777 14.011 ( -2.459 -11.073 0.111) 11.344 15.443 ( -2.538 1.003 0.266) 2.742 15.909 ( -1.002 5.073 -0.625) 5.209 16.070 ( -0.579 1.201 0.552) 1.443 16.164 ( -0.413 0.083 2.273) 2.312 16.227 ( 0.776 3.681 0.684) 3.823 16.332 ( -1.674 2.486 -3.053) 4.279 16.536 ( 4.129 13.836 -0.297) 14.442 16.998 ( -2.613 -12.990 1.899) 13.386 17.189 ( 3.498 -15.285 -0.144) 15.681 17.235 ( -0.560 -4.488 7.558) 8.808 17.631 ( 0.276 2.546 -7.648) 8.065 17.851 ( -0.921 -4.042 -2.917) 5.069 18.346 ( 0.629 0.369 -1.431) 1.607 18.996 ( -0.966 8.068 4.797) 9.436 ======================= Grid point 49 (47/160) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 22.113 0.000 0.000) 22.113 0.469 ( 24.786 0.000 0.000) 24.786 0.967 ( 50.005 0.000 0.000) 50.005 2.919 ( 5.715 0.000 0.000) 5.715 3.847 ( -8.102 -0.000 -0.000) 8.102 3.852 ( 2.959 0.000 0.000) 2.959 4.198 ( -6.720 -0.000 -0.000) 6.720 4.218 ( 4.069 0.000 0.000) 4.069 4.362 ( -3.442 -0.000 -0.000) 3.442 4.596 ( 1.018 0.000 0.000) 1.018 4.612 ( 0.599 0.000 0.000) 0.599 4.673 ( 1.975 0.000 0.000) 1.975 4.758 ( -5.142 -0.000 -0.000) 5.142 5.800 ( 16.832 0.000 0.000) 16.832 6.685 ( 1.172 0.000 0.000) 1.172 7.352 ( 19.812 0.000 0.000) 19.812 7.782 ( 5.112 0.000 0.000) 5.112 7.804 ( -5.390 -0.000 -0.000) 5.390 8.528 ( 0.421 0.000 0.000) 0.421 8.627 ( -1.546 -0.000 -0.000) 1.546 9.227 ( 2.189 0.000 0.000) 2.189 11.951 ( 3.363 0.000 0.000) 3.363 12.161 ( 1.451 0.000 0.000) 1.451 12.810 ( -2.914 -0.000 -0.000) 2.914 13.249 ( 3.004 0.000 0.000) 3.004 13.759 ( -4.527 -0.000 -0.000) 4.527 13.898 ( -6.977 -0.000 -0.000) 6.977 14.286 ( -2.404 -0.000 -0.000) 2.404 15.301 ( 2.526 0.000 0.000) 2.526 15.721 ( -1.192 -0.000 -0.000) 1.192 15.952 ( 6.530 0.000 0.000) 6.530 15.998 ( 0.502 0.000 0.000) 0.502 16.030 ( 0.490 0.000 0.000) 0.490 16.425 ( -1.041 -0.000 -0.000) 1.041 16.911 ( -0.015 -0.000 -0.000) 0.015 16.998 ( -1.678 -0.000 -0.000) 1.678 17.229 ( -1.561 -0.000 -0.000) 1.561 17.520 ( -5.722 -0.000 -0.000) 5.722 17.890 ( -0.829 -0.000 -0.000) 0.829 18.313 ( -7.342 -0.000 -0.000) 7.342 18.472 ( -1.648 -0.000 -0.000) 1.648 18.638 ( 7.880 0.000 0.000) 7.880 ======================= Grid point 50 (48/160) ======================= q-point: ( 0.44 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -6.578 22.199 -3.097) 23.359 2.501 ( -15.305 14.285 2.221) 21.053 3.025 ( -1.885 10.908 -5.493) 12.357 3.172 ( -9.478 -14.554 -10.967) 20.541 3.456 ( -9.454 -6.304 -0.924) 11.400 3.896 ( 1.459 -1.066 2.098) 2.769 3.973 ( -5.453 -0.443 0.782) 5.526 4.059 ( 3.483 -2.004 -5.206) 6.577 4.376 ( 2.522 7.091 0.321) 7.533 4.771 ( 9.588 0.053 -5.358) 10.984 4.891 ( -8.374 -8.222 6.795) 13.561 5.173 ( -1.421 33.815 10.854) 35.543 5.485 ( -7.160 -10.005 0.044) 12.303 5.899 ( -11.611 0.953 4.464) 12.476 6.234 ( -0.964 -9.682 -7.591) 12.341 6.428 ( 5.829 19.845 1.737) 20.756 6.560 ( 2.068 -18.669 0.963) 18.808 8.104 ( 15.779 -2.885 1.914) 16.154 9.076 ( -28.910 10.911 4.314) 31.200 10.274 ( 0.722 23.299 -2.510) 23.445 10.637 ( -9.417 -6.664 0.114) 11.537 11.007 ( -10.281 15.154 -1.219) 18.353 11.519 ( 0.862 -20.529 -1.983) 20.642 12.066 ( -14.336 -12.522 -1.050) 19.064 13.181 ( 18.090 -4.404 2.555) 18.793 13.858 ( 5.120 11.035 0.243) 12.168 14.028 ( -2.569 4.388 -0.445) 5.104 14.707 ( 5.149 -7.045 1.602) 8.872 15.282 ( -8.680 -0.922 0.356) 8.736 15.285 ( -8.927 0.945 0.594) 8.997 15.568 ( -4.952 -5.672 0.654) 7.558 15.917 ( 1.165 5.188 -0.535) 5.344 16.274 ( 9.796 -0.925 0.034) 9.840 16.372 ( 11.635 0.176 1.044) 11.683 16.966 ( -0.691 7.968 -0.439) 8.010 17.029 ( -1.399 -9.512 -0.808) 9.648 17.490 ( -1.854 -8.946 2.868) 9.576 17.926 ( 2.507 -1.635 -3.213) 4.391 18.005 ( 2.805 -0.074 -0.450) 2.842 18.238 ( 1.998 -6.365 -2.688) 7.193 18.300 ( 4.605 3.592 -3.975) 7.065 18.581 ( 5.825 1.029 5.114) 7.819 ======================= Grid point 51 (49/160) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 13.985 0.000 5.948) 15.197 1.857 ( 12.545 0.000 1.900) 12.688 2.823 ( 0.604 -0.000 -10.381) 10.398 2.959 ( -10.102 -0.000 -3.960) 10.850 3.700 ( 18.622 0.000 15.314) 24.110 3.820 ( 2.577 -0.000 -11.232) 11.524 3.916 ( 0.025 -0.000 -5.836) 5.836 4.098 ( -0.869 -0.000 -0.459) 0.983 4.122 ( 0.102 0.000 4.204) 4.206 4.708 ( 5.849 -0.000 -3.971) 7.070 4.765 ( -4.358 0.000 4.664) 6.383 5.117 ( -0.227 0.000 4.788) 4.794 5.215 ( 3.649 0.000 9.708) 10.371 6.531 ( 5.913 -0.000 -7.208) 9.323 6.627 ( 2.780 -0.000 -11.313) 11.650 7.124 ( -11.783 0.000 4.564) 12.636 7.430 ( -4.424 0.000 7.909) 9.062 8.300 ( -3.181 -0.000 -0.363) 3.201 8.830 ( 3.027 0.000 0.196) 3.033 9.629 ( 4.560 0.000 3.064) 5.494 10.305 ( 37.866 0.000 6.476) 38.416 11.853 ( 0.526 -0.000 -6.721) 6.741 11.978 ( -19.248 -0.000 -0.683) 19.260 12.665 ( -4.007 0.000 5.065) 6.459 13.194 ( -2.414 -0.000 -1.271) 2.728 13.248 ( -5.144 -0.000 -0.573) 5.176 13.571 ( 5.080 -0.000 -1.119) 5.202 13.938 ( -4.293 -0.000 -2.433) 4.935 15.460 ( 1.026 -0.000 -0.602) 1.190 15.956 ( 1.323 -0.000 -0.337) 1.365 16.072 ( 0.864 0.000 0.769) 1.156 16.107 ( 3.682 0.000 4.633) 5.918 16.334 ( -1.174 -0.000 -0.082) 1.177 16.370 ( 2.234 -0.000 -3.215) 3.915 16.782 ( 0.157 -0.000 -1.215) 1.225 16.885 ( 1.221 -0.000 -0.359) 1.273 16.898 ( -10.335 0.000 0.985) 10.382 17.216 ( -3.308 0.000 5.788) 6.667 17.675 ( -0.041 -0.000 -6.308) 6.308 17.807 ( 0.248 -0.000 -4.673) 4.680 18.358 ( -1.484 -0.000 -1.431) 2.061 19.103 ( -0.695 0.000 4.543) 4.596 ======================= Grid point 52 (50/160) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 16.052 0.000 -0.000) 16.052 2.275 ( 3.182 -0.000 0.000) 3.182 2.623 ( 2.674 0.000 -0.000) 2.674 2.717 ( 7.055 -0.000 -0.000) 7.055 3.182 ( 7.491 -0.000 -0.000) 7.491 3.924 ( 1.943 -0.000 -0.000) 1.943 3.982 ( -4.430 0.000 -0.000) 4.430 4.323 ( -4.542 -0.000 0.000) 4.542 4.416 ( -7.030 -0.000 -0.000) 7.030 4.513 ( 3.814 0.000 -0.000) 3.814 5.075 ( 2.986 -0.000 -0.000) 2.986 5.264 ( 8.226 -0.000 -0.000) 8.226 5.627 ( -0.819 0.000 0.000) 0.819 5.800 ( 2.438 -0.000 -0.000) 2.438 5.952 ( 3.043 -0.000 -0.000) 3.043 6.534 ( -3.950 0.000 -0.000) 3.950 6.657 ( -1.912 -0.000 -0.000) 1.912 8.395 ( -7.907 -0.000 -0.000) 7.907 8.688 ( 21.494 -0.000 -0.000) 21.494 10.054 ( 3.111 0.000 -0.000) 3.111 10.690 ( 0.200 -0.000 -0.000) 0.200 10.861 ( 3.971 0.000 -0.000) 3.971 11.448 ( 0.500 -0.000 -0.000) 0.500 11.806 ( 7.410 0.000 -0.000) 7.410 13.527 ( -11.503 0.000 -0.000) 11.503 13.866 ( 7.477 -0.000 -0.000) 7.477 14.017 ( -5.043 -0.000 -0.000) 5.043 14.850 ( -3.762 -0.000 -0.000) 3.762 15.149 ( 6.498 0.000 -0.000) 6.498 15.151 ( 5.371 -0.000 -0.000) 5.371 15.529 ( 2.417 -0.000 -0.000) 2.417 15.892 ( -0.265 -0.000 -0.000) 0.265 16.480 ( -7.777 0.000 -0.000) 7.777 16.587 ( -8.004 -0.000 -0.000) 8.004 16.948 ( 1.798 -0.000 -0.000) 1.798 16.966 ( 0.357 0.000 -0.000) 0.357 17.613 ( 0.315 0.000 -0.000) 0.315 17.811 ( 1.534 -0.000 -0.000) 1.534 17.960 ( -1.903 -0.000 -0.000) 1.903 18.240 ( -2.088 -0.000 0.000) 2.088 18.247 ( -1.430 0.000 -0.000) 1.430 18.825 ( -5.156 -0.000 -0.000) 5.156 ======================= Grid point 54 (51/160) ======================= q-point: (-0.06 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -11.344 -0.000 -19.774) 22.797 1.373 ( -12.916 -0.000 -18.869) 22.867 2.570 ( -26.421 -0.000 -22.450) 34.671 2.878 ( -5.125 -0.000 -6.186) 8.033 3.497 ( 15.866 0.000 4.271) 16.430 3.783 ( 0.753 0.000 3.462) 3.543 3.817 ( -6.548 0.000 9.386) 11.444 4.140 ( 2.179 0.000 0.453) 2.226 4.150 ( 0.845 0.000 3.127) 3.239 4.356 ( -6.425 0.000 3.811) 7.470 4.833 ( -2.582 -0.000 -3.697) 4.509 5.069 ( -2.473 -0.000 -11.440) 11.704 5.337 ( 7.728 -0.000 -12.736) 14.897 5.970 ( -19.097 0.000 6.623) 20.213 6.238 ( -11.873 0.000 14.995) 19.126 7.727 ( 7.171 -0.000 -6.713) 9.823 7.801 ( 14.361 -0.000 -0.975) 14.394 8.486 ( 7.752 0.000 3.494) 8.503 8.611 ( -42.135 -0.000 -17.555) 45.645 8.763 ( -0.623 -0.000 -7.120) 7.147 9.475 ( -3.171 -0.000 -8.602) 9.168 11.587 ( -14.260 0.000 11.107) 18.075 12.370 ( 1.940 -0.000 -7.702) 7.943 12.707 ( -2.369 0.000 5.936) 6.392 12.969 ( -5.883 0.000 10.021) 11.620 13.531 ( 11.602 0.000 8.299) 14.264 13.846 ( 7.560 -0.000 -8.403) 11.303 14.094 ( 3.236 0.000 6.105) 6.909 15.346 ( -3.932 0.000 0.839) 4.020 15.832 ( -4.171 -0.000 -1.015) 4.293 15.995 ( -0.910 0.000 1.386) 1.658 16.024 ( -1.145 -0.000 -0.519) 1.258 16.377 ( 5.877 -0.000 -7.036) 9.168 16.406 ( 1.911 -0.000 -0.273) 1.931 16.817 ( -1.363 0.000 3.038) 3.330 16.828 ( 1.923 0.000 3.526) 4.016 17.366 ( 3.298 -0.000 -6.901) 7.649 17.416 ( 10.218 -0.000 -1.821) 10.379 17.699 ( -4.604 0.000 8.787) 9.920 17.700 ( 0.992 0.000 7.635) 7.699 18.465 ( 2.989 0.000 1.419) 3.309 19.165 ( 4.722 -0.000 -3.390) 5.813 ======================= Grid point 55 (52/160) ======================= q-point: (-0.56 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 5.646 -12.824 2.106) 14.169 2.709 ( -2.312 6.563 2.035) 7.250 3.211 ( 6.332 -17.849 -0.388) 18.943 3.306 ( -3.318 16.381 0.094) 16.714 3.847 ( 5.892 3.129 7.014) 9.680 3.922 ( -2.670 0.987 6.417) 7.020 4.033 ( 7.204 -4.626 3.387) 9.208 4.107 ( -0.337 7.995 3.849) 8.880 4.292 ( 0.983 -7.684 -1.094) 7.823 4.396 ( -9.072 2.053 -0.960) 9.351 5.148 ( 4.131 11.295 -6.433) 13.639 5.198 ( -1.203 -18.214 -8.271) 20.040 5.803 ( 10.351 19.014 -1.279) 21.686 6.009 ( -11.010 -21.506 -0.871) 24.176 6.280 ( 4.017 -0.650 2.614) 4.836 6.327 ( -1.137 3.607 1.849) 4.210 6.868 ( 21.084 4.194 -1.769) 21.569 7.311 ( -24.177 0.444 -1.729) 24.243 9.922 ( 12.859 8.344 -6.018) 16.468 10.109 ( -7.563 -16.810 -4.629) 19.005 11.274 ( 7.684 11.326 12.154) 18.304 11.282 ( 3.503 -11.846 7.635) 14.522 11.676 ( 22.124 0.824 -6.463) 23.064 12.215 ( -29.550 5.224 -2.409) 30.105 12.872 ( 22.755 9.065 -1.281) 24.528 13.293 ( -20.799 -8.102 -0.167) 22.322 14.303 ( 8.125 -9.555 -0.273) 12.545 14.453 ( -7.720 8.707 -0.476) 11.646 15.563 ( 3.300 7.622 -1.112) 8.380 15.564 ( 3.111 -8.146 -1.028) 8.780 15.808 ( 7.779 5.190 -0.434) 9.361 15.891 ( 1.364 -1.014 0.420) 1.751 15.955 ( -5.773 0.386 -0.002) 5.786 15.970 ( -8.700 -3.623 -0.454) 9.435 16.998 ( 1.114 -10.344 0.837) 10.437 17.021 ( -1.207 10.943 1.112) 11.066 17.636 ( 5.896 4.986 -1.253) 7.823 17.753 ( -6.037 -2.828 0.349) 6.675 17.941 ( 0.293 -1.731 0.146) 1.761 17.986 ( -4.849 2.152 0.236) 5.311 18.330 ( 2.898 2.281 1.547) 3.999 18.395 ( -3.945 -2.555 0.328) 4.711 ======================= Grid point 56 (53/160) ======================= q-point: (-0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.000 -17.183 -11.235) 20.530 2.066 ( -0.000 -11.999 -21.763) 24.852 2.614 ( 0.000 -0.303 2.326) 2.346 2.836 ( -0.000 16.912 6.276) 18.039 3.354 ( -0.000 17.074 0.237) 17.076 3.922 ( -0.000 1.760 1.980) 2.650 3.930 ( 0.000 -11.363 -3.738) 11.962 4.360 ( 0.000 -5.894 -2.192) 6.289 4.384 ( -0.000 -3.278 -14.660) 15.022 4.613 ( 0.000 9.526 14.629) 17.457 4.845 ( 0.000 -17.664 1.789) 17.754 4.999 ( 0.000 -7.536 -5.202) 9.157 5.305 ( 0.000 -11.090 -6.987) 13.108 5.925 ( 0.000 -0.415 2.238) 2.276 6.142 ( 0.000 -12.777 -6.900) 14.521 6.523 ( -0.000 36.400 9.283) 37.565 7.152 ( -0.000 24.442 0.745) 24.453 8.389 ( -0.000 -3.668 -11.031) 11.624 8.493 ( 0.000 -2.024 2.054) 2.883 9.795 ( 0.000 -18.243 -2.818) 18.459 10.526 ( 0.000 -21.450 -10.402) 23.839 10.791 ( -0.000 7.105 -4.466) 8.392 11.716 ( -0.000 19.559 9.548) 21.765 11.864 ( -0.000 11.353 8.629) 14.260 13.516 ( 0.000 -15.632 -6.899) 17.087 13.724 ( 0.000 -1.275 3.854) 4.060 14.060 ( -0.000 -0.305 -2.500) 2.518 14.779 ( 0.000 -10.614 3.949) 11.325 14.916 ( 0.000 -3.948 0.420) 3.971 15.405 ( -0.000 17.000 0.217) 17.001 15.565 ( -0.000 5.893 2.662) 6.467 15.977 ( -0.000 6.940 -3.470) 7.759 16.539 ( -0.000 -0.066 -1.948) 1.949 16.701 ( 0.000 -15.271 0.383) 15.276 16.777 ( -0.000 8.110 3.342) 8.772 17.035 ( -0.000 1.053 -0.094) 1.057 17.515 ( 0.000 -8.650 6.264) 10.680 17.793 ( 0.000 -0.431 3.177) 3.206 17.913 ( 0.000 -6.313 -0.995) 6.391 18.072 ( 0.000 -10.035 0.943) 10.080 18.397 ( -0.000 5.201 -1.147) 5.326 18.929 ( -0.000 4.786 2.251) 5.289 ======================= Grid point 57 (54/160) ======================= q-point: ( 0.06 -0.40 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -16.130 7.198 -9.056) 19.849 1.856 ( -11.089 18.993 -12.831) 25.462 2.810 ( -0.910 0.293 6.490) 6.560 3.117 ( -3.942 1.049 -3.381) 5.298 3.480 ( -8.157 14.258 -12.590) 20.696 3.772 ( -2.329 -1.079 7.412) 7.843 3.903 ( -1.124 -1.447 8.856) 9.044 4.084 ( 0.154 -0.423 -3.741) 3.768 4.277 ( 0.036 11.969 3.609) 12.501 4.471 ( -7.735 -3.594 2.896) 9.007 4.711 ( 0.345 -9.500 -5.762) 11.116 5.139 ( 8.091 -3.209 -8.301) 12.027 5.237 ( -5.785 5.211 -8.996) 11.898 6.267 ( -15.059 -4.158 4.967) 16.393 6.413 ( -11.580 -3.867 11.314) 16.644 7.436 ( 17.441 -4.018 -2.169) 18.028 7.502 ( 7.952 -6.406 -5.724) 11.707 8.209 ( 6.358 -14.760 2.220) 16.224 8.920 ( -1.601 12.830 -3.654) 13.436 9.459 ( -35.274 1.873 -13.056) 37.659 9.748 ( -15.002 15.864 -6.636) 22.821 11.706 ( -7.065 -7.734 8.687) 13.608 12.327 ( 9.886 3.019 -0.908) 10.377 12.672 ( 3.096 -2.483 -0.211) 3.974 12.990 ( -12.967 -11.291 10.686) 20.244 13.367 ( 9.009 4.321 0.686) 10.015 13.667 ( 9.472 0.208 -6.928) 11.737 14.174 ( 4.898 12.399 5.135) 14.286 15.371 ( -5.717 -3.906 -0.052) 6.924 15.885 ( -1.481 -3.141 0.226) 3.480 16.029 ( -2.069 -2.259 -1.042) 3.235 16.094 ( -2.762 6.042 -1.509) 6.813 16.233 ( -0.357 -6.864 0.375) 6.884 16.327 ( 4.049 -3.325 -2.292) 5.719 16.658 ( 3.824 -8.890 3.110) 10.165 17.066 ( 0.743 15.270 2.088) 15.430 17.252 ( 6.355 5.404 -3.827) 9.178 17.372 ( 5.602 7.937 -3.566) 10.349 17.651 ( 1.727 -0.739 9.436) 9.621 17.846 ( -1.518 4.743 5.232) 7.223 18.397 ( 2.894 -0.651 1.400) 3.281 19.030 ( 1.596 -7.986 -4.266) 9.193 ======================= Grid point 58 (55/160) ======================= q-point: (-0.44 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 12.225 -18.164 -0.164) 21.895 2.454 ( 15.880 -18.501 -4.371) 24.770 2.925 ( 1.200 -1.070 4.718) 4.985 3.585 ( 1.722 7.991 6.777) 10.618 3.769 ( 10.405 2.975 3.658) 11.423 3.861 ( 1.368 -1.977 0.781) 2.528 3.980 ( 3.027 -6.862 7.974) 10.947 4.063 ( 0.172 -11.180 -0.009) 11.181 4.224 ( 2.053 4.340 0.024) 4.801 4.550 ( -0.467 -8.696 -7.383) 11.417 4.656 ( -5.299 -5.591 -7.150) 10.510 5.182 ( 9.192 0.162 -4.904) 10.419 5.579 ( -6.183 -28.217 1.795) 28.943 5.941 ( 9.228 11.591 -1.519) 14.894 6.222 ( 13.640 7.714 0.325) 15.673 6.767 ( -1.599 28.368 1.940) 28.480 6.914 ( -2.115 15.512 -2.304) 15.824 7.783 ( -21.485 2.056 -0.898) 21.602 9.482 ( 31.825 -7.062 -7.438) 33.437 9.715 ( -0.384 -25.486 -2.155) 25.580 10.590 ( 15.629 -25.533 -1.556) 29.977 11.348 ( 10.825 15.956 8.392) 21.029 11.897 ( -3.578 18.816 0.262) 19.155 12.629 ( 14.992 11.947 4.669) 19.731 12.864 ( -18.420 0.953 -2.188) 18.574 13.452 ( -12.067 -10.213 -3.673) 16.230 13.901 ( 2.700 -12.285 -1.196) 12.635 14.642 ( -5.863 -2.966 0.879) 6.629 15.295 ( 9.191 -4.384 -0.911) 10.224 15.664 ( 4.372 10.320 -1.656) 11.330 15.806 ( 5.248 5.848 2.397) 8.215 15.921 ( 1.554 5.556 -0.252) 5.774 16.127 ( -10.481 1.058 -1.402) 10.628 16.186 ( -8.739 5.780 -0.253) 10.480 16.754 ( -0.573 -11.952 1.352) 12.042 17.180 ( 0.285 3.122 -1.187) 3.353 17.614 ( 1.243 -0.949 0.788) 1.751 17.747 ( -6.308 -9.494 0.088) 11.399 17.899 ( -3.420 -3.303 3.007) 5.626 18.124 ( -5.951 -1.451 5.387) 8.157 18.363 ( 0.245 2.719 1.801) 3.271 18.510 ( -4.406 6.899 -5.531) 9.879 ======================= Grid point 59 (56/160) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -0.000 19.062 -0.000) 19.062 0.565 ( -0.000 27.836 -0.000) 27.836 1.269 ( -0.000 61.635 -0.000) 61.635 2.768 ( 0.000 -1.132 0.000) 1.132 3.729 ( 0.000 -1.404 0.000) 1.404 3.764 ( 0.000 -5.273 0.000) 5.273 3.908 ( 0.000 -1.454 0.000) 1.454 4.216 ( 0.000 -5.329 0.000) 5.329 4.467 ( 0.000 -6.911 0.000) 6.911 4.514 ( 0.000 -2.588 0.000) 2.588 4.648 ( -0.000 0.107 -0.000) 0.107 4.924 ( -0.000 18.506 -0.000) 18.506 4.989 ( -0.000 9.929 -0.000) 9.929 5.587 ( 0.000 -2.655 0.000) 2.655 5.921 ( 0.000 -7.805 0.000) 7.805 7.261 ( -0.000 12.864 -0.000) 12.864 7.710 ( 0.000 -8.984 0.000) 8.984 7.776 ( 0.000 -8.997 0.000) 8.997 8.561 ( 0.000 -6.691 0.000) 6.691 8.674 ( -0.000 14.928 -0.000) 14.928 9.338 ( -0.000 12.593 -0.000) 12.593 11.128 ( 0.000 -4.998 0.000) 4.998 12.278 ( -0.000 12.103 -0.000) 12.103 12.715 ( 0.000 -7.263 0.000) 7.263 12.760 ( 0.000 -6.968 0.000) 6.968 13.783 ( 0.000 -1.816 0.000) 1.816 13.985 ( -0.000 1.953 -0.000) 1.953 14.613 ( -0.000 4.369 -0.000) 4.369 15.117 ( 0.000 -10.635 0.000) 10.635 15.843 ( 0.000 -3.299 0.000) 3.299 15.940 ( 0.000 -5.712 0.000) 5.712 15.975 ( -0.000 17.605 -0.000) 17.605 15.992 ( 0.000 -3.117 0.000) 3.117 16.896 ( 0.000 -2.688 0.000) 2.688 16.905 ( 0.000 -6.756 0.000) 6.756 17.016 ( 0.000 -0.180 0.000) 0.180 17.410 ( -0.000 12.637 -0.000) 12.637 17.543 ( 0.000 -0.315 0.000) 0.315 17.991 ( -0.000 6.914 -0.000) 6.914 18.457 ( 0.000 -2.947 0.000) 2.947 18.502 ( 0.000 -1.545 0.000) 1.545 19.029 ( 0.000 -3.922 0.000) 3.922 ======================= Grid point 60 (57/160) ======================= q-point: ( 0.56 -0.40 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 3.710 -4.648 -5.130) 7.854 2.858 ( -2.423 13.594 -8.330) 16.126 3.040 ( -1.244 -7.967 -0.001) 8.063 3.349 ( -8.161 3.719 -5.417) 10.477 3.600 ( -8.354 -3.464 0.022) 9.044 3.815 ( -2.181 -5.899 -1.373) 6.437 3.896 ( -2.220 -5.902 -0.572) 6.331 4.095 ( -0.769 7.075 -4.928) 8.656 4.495 ( 2.057 7.764 0.302) 8.037 4.590 ( 9.076 -0.101 -2.705) 9.471 4.742 ( -2.695 -12.146 8.801) 15.240 5.258 ( -2.123 -18.575 -0.116) 18.696 5.576 ( 2.749 4.003 3.132) 5.779 6.196 ( -12.848 -3.832 -5.141) 14.360 6.288 ( -0.153 4.115 0.053) 4.118 6.485 ( -14.394 18.415 7.165) 24.447 6.848 ( 6.839 28.611 -2.106) 29.492 7.690 ( 19.596 -3.231 3.453) 20.159 9.548 ( -9.757 -6.492 3.265) 12.166 10.523 ( 10.301 0.617 3.087) 10.771 10.699 ( -27.588 -9.352 -12.810) 31.822 11.198 ( -4.836 0.237 -4.856) 6.857 11.657 ( -7.819 18.354 4.225) 20.393 12.239 ( -21.874 -5.163 2.815) 22.651 12.638 ( 23.363 -7.668 4.620) 25.020 13.778 ( 14.284 5.931 -1.713) 15.561 14.162 ( -4.672 -9.651 -4.864) 11.774 14.382 ( 3.702 -11.004 5.643) 12.909 15.303 ( -9.546 -4.193 0.577) 10.443 15.613 ( -4.139 2.097 1.217) 4.797 15.704 ( -6.644 12.121 0.514) 13.832 16.016 ( 3.241 7.916 -1.571) 8.697 16.118 ( 7.945 3.517 1.122) 8.760 16.231 ( 7.774 4.486 0.375) 8.983 16.770 ( 0.991 -14.567 -1.996) 14.737 17.109 ( -1.855 3.356 0.981) 3.958 17.356 ( -5.355 -10.605 4.330) 12.644 17.777 ( 3.153 -7.971 -0.859) 8.615 17.905 ( 1.495 -4.742 -3.158) 5.890 18.035 ( 3.685 -4.622 -0.046) 5.911 18.336 ( 1.578 4.004 -2.131) 4.803 18.568 ( 3.721 6.139 2.337) 7.550 ======================= Grid point 62 (58/160) ======================= q-point: ( 0.18 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -26.984 21.287 -0.000) 34.370 1.227 ( -9.222 25.960 -0.000) 27.549 2.573 ( -9.142 53.392 -0.000) 54.169 2.812 ( -6.507 0.693 -0.000) 6.544 3.624 ( -2.413 -7.275 0.000) 7.665 3.836 ( 2.300 -2.840 0.000) 3.654 3.855 ( -11.212 -2.497 0.000) 11.487 4.012 ( 4.213 -7.770 0.000) 8.839 4.371 ( -0.297 -3.863 0.000) 3.874 4.473 ( 1.725 -0.909 0.000) 1.950 4.703 ( -3.592 2.071 -0.000) 4.146 5.009 ( 9.889 3.802 -0.000) 10.595 5.296 ( 7.508 27.499 -0.000) 28.506 5.680 ( -13.888 -5.996 0.000) 15.127 5.901 ( -13.555 -11.989 0.000) 18.096 7.377 ( 4.581 -13.332 0.000) 14.097 7.416 ( 1.620 -23.891 0.000) 23.945 7.867 ( -25.731 14.225 -0.000) 29.401 8.391 ( 7.619 -2.765 0.000) 8.106 9.116 ( -1.477 25.556 -0.000) 25.598 9.724 ( -3.248 21.851 -0.000) 22.091 11.150 ( -16.259 -13.510 0.000) 21.139 12.391 ( 2.108 -10.892 0.000) 11.094 12.548 ( -4.906 -13.992 0.000) 14.827 12.782 ( -1.548 18.677 -0.000) 18.741 13.675 ( 6.225 -3.166 0.000) 6.984 13.987 ( 5.127 3.327 -0.000) 6.112 14.702 ( 2.825 7.006 -0.000) 7.555 14.987 ( -4.464 -5.023 0.000) 6.720 15.762 ( -1.889 -12.521 0.000) 12.662 15.776 ( -2.940 -5.671 0.000) 6.388 15.930 ( -1.786 -4.468 0.000) 4.812 16.343 ( 1.641 16.777 -0.000) 16.857 16.635 ( 12.774 -2.527 0.000) 13.022 16.760 ( 1.697 -7.771 0.000) 7.954 17.087 ( -3.589 0.933 -0.000) 3.708 17.584 ( 1.213 4.634 -0.000) 4.790 17.669 ( 1.897 13.567 -0.000) 13.699 18.076 ( 3.370 2.823 -0.000) 4.396 18.394 ( 0.357 -0.888 0.000) 0.957 18.451 ( 0.683 -3.212 0.000) 3.284 18.784 ( 11.250 -3.743 0.000) 11.856 ======================= Grid point 63 (59/160) ======================= q-point: (-0.32 0.49 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 11.645 -8.194 -5.698) 15.337 2.669 ( 16.063 -15.150 6.242) 22.946 3.029 ( 0.150 2.485 -12.390) 12.638 3.286 ( -4.324 -13.118 -10.901) 17.596 3.750 ( -7.053 1.685 0.643) 7.280 3.781 ( -2.176 -5.707 4.676) 7.692 3.962 ( -7.262 2.167 -1.759) 7.780 4.185 ( 4.180 0.443 -4.032) 5.825 4.415 ( 6.482 -0.757 -0.623) 6.556 4.588 ( 1.317 6.127 6.824) 9.265 4.684 ( 4.077 4.932 0.927) 6.466 4.878 ( 1.251 -15.058 -0.451) 15.117 5.452 ( 5.345 -5.692 3.970) 8.760 6.445 ( -9.863 4.165 -0.974) 10.751 6.511 ( -12.433 4.992 -6.328) 14.817 6.943 ( 1.098 11.991 7.273) 14.067 7.203 ( 11.679 2.519 -1.023) 11.991 7.548 ( -0.993 26.524 3.096) 26.722 9.323 ( 2.385 -15.983 0.358) 16.164 10.098 ( 10.694 -14.199 2.331) 17.928 10.980 ( 8.347 -1.769 -10.989) 13.913 11.497 ( -21.612 4.069 1.989) 22.081 11.975 ( 1.639 0.188 -2.760) 3.216 12.237 ( 0.018 6.397 7.213) 9.641 12.658 ( -19.942 3.024 4.478) 20.661 13.623 ( 15.375 6.507 -2.740) 16.919 13.755 ( 5.933 -17.942 0.269) 18.899 14.247 ( -6.431 -11.089 0.189) 12.820 15.406 ( -3.472 0.539 0.709) 3.584 15.777 ( -2.835 6.795 0.469) 7.378 15.974 ( -1.121 7.046 0.756) 7.174 16.081 ( 2.448 5.231 -1.281) 5.916 16.192 ( 2.268 5.000 1.102) 5.600 16.226 ( 2.139 8.898 0.142) 9.152 16.483 ( 0.791 -9.047 -1.854) 9.269 17.145 ( -1.106 -3.516 3.248) 4.913 17.254 ( -6.796 -10.965 2.826) 13.206 17.500 ( 2.251 -13.608 -0.206) 13.794 17.787 ( 0.929 -2.404 -7.010) 7.469 17.957 ( -1.482 -2.557 -0.105) 2.957 18.370 ( 0.773 1.552 -2.321) 2.897 18.701 ( 0.439 10.200 4.181) 11.033 ======================= Grid point 64 (60/160) ======================= q-point: ( 0.18 0.15 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 13.387 16.510 10.682) 23.789 1.917 ( 20.474 14.004 14.090) 28.528 2.804 ( 1.396 -0.059 -2.223) 2.625 3.240 ( 4.801 23.381 5.487) 24.491 3.439 ( 10.494 -2.178 -1.416) 10.810 3.785 ( 3.357 -5.001 -4.864) 7.742 3.875 ( -3.894 3.295 1.502) 5.318 4.069 ( -0.511 -0.781 4.460) 4.557 4.228 ( 3.490 -1.173 -1.116) 3.847 4.587 ( -0.365 3.206 4.242) 5.329 4.725 ( -6.270 9.466 -3.497) 11.880 5.156 ( 3.180 -4.320 1.917) 5.696 5.218 ( 1.780 7.366 3.578) 8.381 5.914 ( 11.859 -1.502 4.656) 12.828 6.118 ( 8.524 -4.989 -4.389) 10.808 7.314 ( -1.494 -24.775 -1.702) 24.879 7.429 ( -7.411 -17.065 2.284) 18.745 8.187 ( -13.399 -4.503 -0.536) 14.145 8.816 ( 37.463 8.746 14.403) 41.078 9.269 ( 0.563 22.126 5.513) 22.809 9.987 ( 5.659 22.002 7.748) 24.003 11.289 ( 12.817 -12.736 -6.724) 19.279 12.265 ( -1.022 -15.567 -3.792) 16.055 12.485 ( 10.580 -12.618 -9.340) 18.931 12.929 ( -4.538 15.723 4.117) 16.874 13.608 ( -7.862 2.144 1.911) 8.370 13.850 ( -6.987 2.229 2.398) 7.716 14.528 ( -4.257 12.267 -4.808) 13.846 15.128 ( 8.703 -3.700 0.383) 9.465 15.777 ( 1.402 -5.215 -1.828) 5.701 15.842 ( 4.455 -10.730 0.647) 11.636 16.061 ( 0.908 -7.287 2.816) 7.864 16.296 ( -2.135 10.875 -0.477) 11.093 16.424 ( -11.448 -2.835 2.052) 11.971 16.617 ( -4.529 -2.095 -3.010) 5.828 17.255 ( 2.393 -3.162 3.949) 5.596 17.403 ( -0.106 13.026 -6.392) 14.510 17.653 ( -3.922 9.320 1.259) 10.190 17.806 ( -5.827 4.646 -7.876) 10.843 17.941 ( 0.470 6.996 -6.007) 9.233 18.415 ( -2.070 -2.704 -1.108) 3.581 18.915 ( -6.379 -9.363 3.590) 11.884 ======================= Grid point 65 (61/160) ======================= q-point: (-0.32 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -10.483 -11.631 -19.226) 24.796 1.931 ( -10.773 -9.252 -24.041) 27.922 2.707 ( -6.027 1.766 2.163) 6.643 3.190 ( 0.280 14.734 0.524) 14.746 3.519 ( 0.134 -21.834 -14.360) 26.133 3.683 ( -2.072 10.157 -0.890) 10.405 3.940 ( 3.248 -0.277 3.975) 5.141 4.150 ( -0.380 -6.533 3.128) 7.253 4.268 ( 2.816 -4.895 -11.392) 12.715 4.680 ( -0.288 -8.655 -5.813) 10.430 4.751 ( 2.826 -9.083 1.844) 9.690 4.941 ( -6.815 12.941 10.486) 17.996 5.199 ( -6.575 -2.630 -5.248) 8.814 5.919 ( -2.668 -2.144 4.862) 5.946 5.974 ( -1.814 -5.265 -8.958) 10.547 7.251 ( -0.051 31.185 5.648) 31.692 7.554 ( 4.066 18.187 0.703) 18.649 8.357 ( 5.846 0.702 0.405) 5.902 8.550 ( -20.436 -4.985 -15.008) 25.840 9.398 ( 0.356 -19.060 -7.231) 20.389 10.105 ( -1.687 -20.380 -11.035) 23.237 11.007 ( -8.637 6.904 -0.288) 11.061 12.137 ( -1.990 18.618 8.135) 20.415 12.162 ( -3.140 13.194 10.480) 17.140 13.115 ( 3.803 -17.114 -7.340) 19.005 13.657 ( 1.955 -5.015 5.433) 7.648 14.032 ( 3.516 1.205 -5.018) 6.244 14.473 ( 2.028 -15.891 7.186) 17.558 14.983 ( -5.574 4.432 0.674) 7.153 15.724 ( -0.477 8.131 2.007) 8.388 15.769 ( -3.337 13.201 0.144) 13.617 16.128 ( 0.360 7.575 -4.368) 8.752 16.324 ( 1.727 -16.906 0.590) 17.004 16.562 ( 2.009 3.225 -0.256) 3.808 16.749 ( 12.012 1.996 1.948) 12.332 17.141 ( -6.325 -0.055 4.499) 7.762 17.312 ( -0.908 -8.483 3.722) 9.308 17.718 ( 1.584 -9.445 0.573) 9.594 17.751 ( 2.312 -4.047 5.951) 7.559 17.876 ( -0.461 -8.659 -1.223) 8.757 18.452 ( 2.340 2.664 -0.490) 3.580 19.010 ( 3.710 6.858 3.978) 8.753 ======================= Grid point 66 (62/160) ======================= q-point: ( 0.18 -0.51 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -10.839 11.622 -0.998) 15.923 2.509 ( -13.351 19.518 -8.284) 25.057 2.819 ( -0.495 0.139 6.867) 6.886 3.175 ( 6.628 11.064 10.154) 16.415 3.768 ( 0.445 -0.212 5.542) 5.564 3.847 ( 1.762 0.240 2.390) 2.979 3.929 ( -7.097 2.466 -1.051) 7.586 4.119 ( -3.672 -3.342 -6.153) 7.906 4.418 ( 0.519 -3.413 -0.804) 3.544 4.538 ( -1.579 5.034 3.123) 6.131 4.648 ( -4.471 3.133 -5.551) 7.785 4.998 ( 5.654 7.081 -3.175) 9.602 5.446 ( -5.321 4.469 -5.641) 8.950 6.332 ( -6.753 -9.317 2.681) 11.815 6.543 ( -8.415 -4.990 5.547) 11.246 7.035 ( 9.989 -7.629 -1.103) 12.617 7.233 ( 2.065 -8.425 -4.772) 9.900 7.659 ( 8.778 -23.615 0.188) 25.195 9.302 ( -1.419 20.394 -1.601) 20.506 9.985 ( -12.271 12.940 -8.097) 19.586 10.538 ( -23.916 10.824 -0.676) 26.260 11.585 ( -3.064 -11.738 8.147) 14.613 12.079 ( 12.237 -2.435 -0.265) 12.479 12.448 ( 11.631 -6.517 -0.191) 13.333 13.003 ( -1.527 -4.550 2.234) 5.294 13.332 ( -1.068 -2.715 -3.439) 4.510 13.700 ( -2.042 14.536 -2.021) 14.818 14.335 ( 5.058 11.697 2.387) 12.965 15.422 ( -3.686 -0.625 -0.940) 3.855 15.815 ( 0.312 -4.247 0.663) 4.309 15.982 ( -1.842 -6.697 -0.509) 6.964 16.046 ( 1.384 -6.773 0.538) 6.934 16.171 ( -0.896 -2.914 -3.001) 4.277 16.239 ( 1.169 -10.305 0.508) 10.383 16.462 ( 3.049 8.038 2.478) 8.947 17.254 ( 1.281 2.308 -5.535) 6.132 17.387 ( 1.749 11.976 1.465) 12.191 17.488 ( 2.422 11.227 -1.523) 11.586 17.644 ( 1.364 4.686 7.443) 8.900 17.934 ( 0.467 3.373 3.428) 4.832 18.343 ( 1.218 -0.714 1.263) 1.894 18.781 ( 0.928 -13.239 -3.430) 13.708 ======================= Grid point 67 (63/160) ======================= q-point: (-0.32 0.15 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 15.493 -20.301 -1.898) 25.608 1.701 ( 22.635 -17.186 -8.050) 29.538 2.864 ( 5.882 -2.701 2.914) 7.098 3.019 ( 14.680 -38.325 -11.606) 42.649 3.598 ( 6.009 5.730 10.724) 13.562 3.810 ( -1.993 -1.232 -1.814) 2.963 3.919 ( 2.790 8.376 3.900) 9.652 4.028 ( 2.283 1.284 0.688) 2.708 4.277 ( 0.850 2.515 4.267) 5.026 4.499 ( -2.046 1.719 -4.829) 5.520 4.763 ( -4.786 -4.575 -1.256) 6.739 5.028 ( 3.372 -0.855 -7.927) 8.657 5.161 ( -6.303 -20.821 -2.985) 21.958 5.908 ( 15.744 8.009 3.243) 17.959 6.172 ( 12.001 10.652 1.190) 16.090 7.309 ( -4.624 16.200 -2.296) 17.003 7.379 ( -5.378 20.404 -1.745) 21.173 8.189 ( -12.912 5.490 -0.063) 14.030 8.589 ( 38.517 -10.590 -8.590) 40.860 9.185 ( 1.841 -23.517 -3.168) 23.801 9.867 ( 7.205 -22.696 -4.434) 24.222 11.423 ( 15.705 14.840 6.182) 22.474 12.314 ( -3.525 13.112 1.437) 13.653 12.636 ( 10.922 14.102 6.071) 18.841 12.848 ( -0.800 -17.762 -3.732) 18.168 13.543 ( -11.205 2.504 -3.924) 12.133 13.842 ( -7.925 -4.606 0.753) 9.197 14.601 ( -4.725 -9.491 2.685) 10.937 15.116 ( 8.138 3.942 -0.758) 9.074 15.802 ( 1.942 6.915 0.461) 7.197 15.837 ( 4.392 7.805 0.624) 8.978 16.007 ( 2.483 5.987 -2.654) 7.003 16.303 ( -2.121 -10.651 0.291) 10.864 16.390 ( -13.074 2.312 -1.404) 13.351 16.677 ( -3.883 4.218 2.859) 6.406 17.170 ( 1.236 -1.081 -3.882) 4.215 17.509 ( -1.571 -9.531 4.086) 10.489 17.627 ( -4.019 -10.943 -1.263) 11.726 17.943 ( -5.382 -2.202 5.216) 7.812 18.126 ( -2.478 -5.770 13.196) 14.614 18.432 ( -1.705 2.626 0.336) 3.149 18.782 ( -6.597 8.060 -9.959) 14.410 ======================= Grid point 68 (64/160) ======================= q-point: (-0.20 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -7.766 -3.432 -21.931) 23.518 1.968 ( -11.057 -13.259 -19.059) 25.716 2.777 ( -1.266 -2.427 -1.255) 3.011 3.214 ( -2.810 0.229 -13.690) 13.978 3.503 ( -4.502 -1.064 -1.124) 4.760 3.671 ( 3.250 -2.610 2.986) 5.127 3.853 ( 1.993 -1.170 -3.324) 4.048 4.136 ( -0.114 -2.640 -3.041) 4.029 4.168 ( -4.900 -3.719 0.141) 6.153 4.389 ( -0.656 -7.891 -2.409) 8.277 4.785 ( -0.831 7.073 -2.233) 7.463 5.245 ( -3.921 2.150 0.303) 4.482 5.361 ( 0.983 8.988 -3.353) 9.644 5.961 ( -11.615 -5.006 -2.914) 12.979 5.994 ( -9.374 -1.994 10.353) 14.108 7.674 ( 4.973 12.484 1.111) 13.484 7.708 ( 9.989 8.487 1.021) 13.147 8.279 ( 8.565 8.142 5.716) 13.127 8.985 ( -16.994 -5.118 -11.877) 21.356 9.099 ( -18.862 -10.098 -17.066) 27.368 9.792 ( -1.815 -12.953 -9.447) 16.135 11.369 ( -13.698 5.801 4.448) 15.527 12.418 ( 0.590 8.265 6.118) 10.299 12.537 ( -5.446 8.126 6.119) 11.538 12.764 ( 3.515 -4.702 0.761) 5.920 13.451 ( 5.915 -7.048 5.071) 10.506 13.966 ( 6.755 1.489 -5.733) 8.984 14.122 ( 2.361 -12.668 6.860) 14.598 15.240 ( -6.763 6.640 0.693) 9.503 15.866 ( -0.202 3.999 0.406) 4.025 16.001 ( -2.317 3.787 -0.389) 4.456 16.025 ( -3.300 -10.514 1.047) 11.069 16.264 ( 1.321 7.534 -2.147) 7.945 16.524 ( 9.889 0.485 -1.301) 9.986 16.650 ( 1.022 5.913 1.248) 6.129 16.985 ( -0.846 -13.272 4.656) 14.091 17.408 ( 0.313 3.741 1.995) 4.251 17.516 ( 2.331 -4.522 -3.965) 6.450 17.524 ( 6.319 -5.784 7.892) 11.647 17.753 ( -2.345 -6.858 -0.803) 7.292 18.432 ( 3.310 0.943 0.618) 3.497 19.083 ( 2.437 6.082 3.544) 7.449 ======================= Grid point 69 (65/160) ======================= q-point: ( 0.30 -0.63 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -3.592 11.116 4.052) 12.365 2.747 ( 0.981 -5.395 6.007) 8.134 3.040 ( -4.514 9.643 -3.552) 11.224 3.325 ( 4.097 9.119 8.349) 13.026 3.704 ( 5.344 1.089 2.431) 5.971 3.779 ( 3.071 -1.324 3.239) 4.655 3.996 ( 0.164 2.153 -1.376) 2.560 4.022 ( 0.345 -6.104 3.027) 6.822 4.395 ( -2.276 -2.721 1.465) 3.838 4.460 ( -2.748 -8.106 0.277) 8.563 4.973 ( -1.270 16.119 -11.775) 20.002 5.266 ( 2.218 21.322 4.045) 21.815 5.598 ( -1.646 2.972 -3.881) 5.158 6.214 ( -1.484 -7.692 2.696) 8.285 6.366 ( 7.292 -8.171 0.607) 10.968 6.688 ( -4.712 -27.607 2.423) 28.111 6.940 ( 19.808 -8.435 -4.637) 22.023 7.369 ( -20.242 -2.967 -2.638) 20.627 9.731 ( 2.494 19.754 -3.735) 20.259 10.444 ( -10.870 4.069 -9.656) 15.098 10.760 ( 10.831 5.304 16.155) 20.160 11.301 ( 11.496 -8.024 6.506) 15.455 11.914 ( 13.030 -9.374 -2.990) 16.328 12.237 ( -20.207 -1.358 -4.393) 20.724 12.787 ( 19.867 4.232 -4.900) 20.896 13.424 ( -17.544 -6.834 2.837) 19.040 14.121 ( -1.175 17.004 1.428) 17.104 14.433 ( 0.644 3.879 -1.739) 4.300 15.453 ( 3.957 3.951 -0.773) 5.645 15.728 ( 3.784 -0.842 -2.234) 4.474 15.811 ( 3.207 -8.538 -0.094) 9.121 15.947 ( -1.014 -4.863 1.270) 5.127 16.020 ( -3.937 -6.880 -0.429) 7.938 16.106 ( -4.875 -7.180 -0.282) 8.683 16.713 ( -0.550 14.686 1.770) 14.803 17.169 ( 1.490 -6.619 -1.453) 6.938 17.538 ( 4.618 9.372 -3.209) 10.930 17.698 ( -3.218 6.299 0.517) 7.092 17.794 ( -1.439 8.385 2.951) 9.005 17.990 ( -0.998 2.319 1.206) 2.798 18.307 ( 1.172 -1.628 0.828) 2.170 18.528 ( -3.124 -11.004 -0.912) 11.475 ======================= Grid point 71 (66/160) ======================= q-point: ( 0.30 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -9.954 23.866 -0.000) 25.859 2.055 ( -21.162 23.327 -0.000) 31.496 2.924 ( -4.277 2.729 -0.000) 5.074 3.542 ( -11.984 -3.200 0.000) 12.404 3.652 ( -0.242 -13.135 0.000) 13.138 3.841 ( -11.000 30.627 -0.000) 32.543 3.879 ( 1.969 0.705 -0.000) 2.091 4.025 ( -7.350 1.738 -0.000) 7.552 4.303 ( 2.755 0.037 0.000) 2.755 4.437 ( 2.408 7.460 -0.000) 7.839 4.772 ( 8.350 3.139 -0.000) 8.921 4.946 ( -6.399 -1.336 0.000) 6.537 5.735 ( -10.563 -11.967 0.000) 15.962 5.758 ( 8.050 31.488 -0.000) 32.501 5.945 ( -13.882 -8.402 0.000) 16.226 6.825 ( 1.726 -28.350 0.000) 28.402 6.946 ( 3.641 -19.100 0.000) 19.444 8.132 ( 15.875 -1.473 0.000) 15.943 8.763 ( -34.171 13.587 -0.000) 36.773 9.700 ( 0.273 28.909 -0.000) 28.910 10.328 ( -9.043 25.145 -0.000) 26.721 11.159 ( -16.243 -15.860 0.000) 22.702 11.985 ( 3.687 -20.239 0.000) 20.572 12.386 ( -11.752 -15.526 0.000) 19.472 13.161 ( 10.850 8.384 -0.000) 13.712 13.540 ( 3.767 11.407 -0.000) 12.013 13.942 ( 6.029 4.247 -0.000) 7.375 14.746 ( 4.378 2.523 -0.000) 5.053 15.108 ( -8.891 4.340 -0.000) 9.894 15.551 ( -5.579 -13.950 0.000) 15.024 15.718 ( -5.453 -7.949 0.000) 9.639 15.887 ( -1.445 -2.383 0.000) 2.787 16.354 ( 13.307 -0.302 0.000) 13.311 16.355 ( 9.229 -4.339 0.000) 10.198 16.771 ( -0.373 10.271 -0.000) 10.278 17.144 ( -2.143 -1.856 0.000) 2.835 17.609 ( -0.154 -2.472 0.000) 2.476 17.857 ( 4.689 10.338 -0.000) 11.352 18.005 ( 4.054 -0.175 0.000) 4.058 18.348 ( 3.108 -2.882 0.000) 4.239 18.423 ( 1.172 3.591 -0.000) 3.778 18.474 ( 8.567 -7.793 0.000) 11.581 ======================= Grid point 72 (67/160) ======================= q-point: (-0.20 0.37 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 18.538 -6.413 -0.997) 19.641 1.959 ( 18.764 -18.412 4.602) 26.688 3.037 ( 1.255 0.903 -11.064) 11.172 3.163 ( -6.370 -7.604 -8.346) 12.963 3.506 ( 19.157 -7.197 9.762) 22.674 3.868 ( -3.041 2.139 5.707) 6.811 4.074 ( 5.547 -0.173 -7.945) 9.691 4.110 ( -2.342 1.930 -8.240) 8.782 4.293 ( -3.763 -12.312 -1.800) 12.999 4.569 ( -0.835 4.829 3.490) 6.017 4.724 ( 9.197 5.742 -1.971) 11.020 4.833 ( -1.319 6.084 11.038) 12.672 5.191 ( 6.640 -8.033 7.082) 12.601 6.623 ( 7.012 7.769 -8.199) 13.294 6.789 ( 2.730 4.793 -8.003) 9.720 7.035 ( -12.253 -0.595 3.606) 12.786 7.195 ( -6.225 3.117 10.565) 12.652 8.121 ( -5.437 17.342 -0.117) 18.174 8.954 ( 4.936 -11.367 0.021) 12.393 9.661 ( 10.180 -7.825 3.139) 13.218 10.294 ( 42.510 -7.955 2.321) 43.310 11.932 ( -6.051 5.379 -7.664) 11.149 12.050 ( -14.538 -3.264 -1.252) 14.952 12.477 ( -8.729 2.956 7.763) 12.049 13.075 ( -13.425 6.187 3.120) 15.108 13.374 ( 0.101 -7.799 -2.747) 8.269 13.540 ( 10.447 6.688 -1.055) 12.449 14.133 ( -6.592 -11.674 -2.149) 13.578 15.442 ( 2.176 2.457 0.369) 3.303 15.935 ( 1.010 3.622 -1.622) 4.096 16.041 ( 2.722 -0.320 1.945) 3.361 16.070 ( 0.966 -2.095 2.596) 3.473 16.214 ( -1.251 8.235 -0.311) 8.335 16.384 ( 6.292 3.239 -1.352) 7.205 16.577 ( -8.976 11.808 -1.162) 14.878 17.012 ( -2.152 -10.872 1.956) 11.255 17.157 ( -2.021 -10.431 0.531) 10.639 17.203 ( -4.355 -11.831 2.206) 12.799 17.777 ( -0.940 0.243 -6.161) 6.237 17.947 ( -2.422 -2.547 -4.402) 5.633 18.385 ( -0.574 0.548 -1.707) 1.882 18.902 ( -0.313 7.814 6.200) 9.980 ======================= Grid point 74 (68/160) ======================= q-point: ( 0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -6.406 20.175 -0.000) 21.168 2.696 ( -6.395 4.963 -0.000) 8.095 3.113 ( -3.378 15.230 -0.000) 15.600 3.354 ( 0.832 -15.955 0.000) 15.977 3.710 ( -17.077 -6.320 0.000) 18.209 3.888 ( -2.218 -1.142 0.000) 2.494 4.070 ( 1.761 -0.732 0.000) 1.907 4.125 ( -5.284 -5.424 0.000) 7.572 4.306 ( 3.564 6.802 -0.000) 7.680 4.603 ( 11.952 1.579 -0.000) 12.056 4.984 ( -7.170 -14.405 0.000) 16.090 5.079 ( -1.662 36.261 -0.000) 36.299 5.616 ( -7.897 -16.580 0.000) 18.364 6.101 ( -8.739 1.796 -0.000) 8.922 6.253 ( 5.295 29.182 -0.000) 29.658 6.351 ( 0.159 -11.444 0.000) 11.445 6.572 ( -7.037 -15.464 0.000) 16.989 7.730 ( 21.346 -2.754 0.000) 21.523 9.528 ( -22.547 3.365 -0.000) 22.797 10.197 ( 6.017 22.677 -0.000) 23.462 10.998 ( -24.874 2.197 -0.000) 24.971 11.225 ( -9.160 8.347 -0.000) 12.393 11.503 ( 2.464 -19.028 0.000) 19.187 12.418 ( -21.603 -12.104 0.000) 24.763 12.735 ( 25.679 -6.335 0.000) 26.449 13.645 ( 15.747 8.806 -0.000) 18.042 14.146 ( -7.906 10.945 -0.000) 13.502 14.582 ( 6.510 -9.301 0.000) 11.353 15.440 ( -7.878 -9.303 0.000) 12.191 15.445 ( -7.977 10.631 -0.000) 13.291 15.669 ( -6.324 -6.784 0.000) 9.275 15.898 ( 1.019 3.230 -0.000) 3.387 16.092 ( 8.922 -1.925 0.000) 9.127 16.149 ( 10.487 3.051 -0.000) 10.922 16.987 ( -0.881 8.751 -0.000) 8.795 17.048 ( 0.243 -9.781 0.000) 9.784 17.519 ( -4.235 -8.691 0.000) 9.668 17.876 ( 5.745 1.071 -0.000) 5.844 17.958 ( 1.656 0.531 -0.000) 1.740 18.141 ( 9.956 -4.253 0.000) 10.826 18.307 ( -1.442 -1.130 0.000) 1.832 18.456 ( 2.988 3.546 -0.000) 4.637 ======================= Grid point 75 (69/160) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 20.198 0.000 8.605) 21.955 1.456 ( 21.011 0.000 5.204) 21.646 2.827 ( 34.475 0.000 16.508) 38.224 3.028 ( 5.636 -0.000 -13.882) 14.982 3.302 ( -14.460 -0.000 -5.117) 15.339 3.953 ( 5.279 -0.000 -8.554) 10.052 3.988 ( -5.455 0.000 7.847) 9.557 4.171 ( -3.440 -0.000 -2.888) 4.492 4.174 ( 1.859 -0.000 -15.187) 15.301 4.587 ( 9.825 -0.000 -3.375) 10.388 4.751 ( -3.478 0.000 7.530) 8.295 4.900 ( 4.672 0.000 12.017) 12.893 4.968 ( -0.078 0.000 11.617) 11.617 6.457 ( 17.286 -0.000 -7.281) 18.757 6.700 ( 8.743 -0.000 -10.347) 13.546 7.395 ( -20.333 0.000 4.199) 20.762 7.406 ( -10.362 0.000 8.663) 13.506 8.397 ( -5.325 -0.000 -0.559) 5.355 8.738 ( 4.598 0.000 1.324) 4.784 9.274 ( 50.832 0.000 7.008) 51.313 9.442 ( 6.309 0.000 4.028) 7.485 11.983 ( 4.448 -0.000 -10.643) 11.535 12.209 ( -5.607 0.000 2.930) 6.326 12.660 ( -6.606 0.000 5.455) 8.567 13.354 ( 5.467 -0.000 -9.301) 10.789 13.400 ( -13.288 -0.000 -3.514) 13.745 13.525 ( -6.194 0.000 5.302) 8.154 14.093 ( -5.595 -0.000 -2.728) 6.225 15.430 ( 3.275 -0.000 -0.516) 3.315 15.847 ( 4.479 0.000 3.936) 5.962 16.036 ( 1.158 0.000 0.576) 1.294 16.041 ( 0.568 -0.000 -0.540) 0.784 16.287 ( 6.788 0.000 1.642) 6.984 16.365 ( -1.878 0.000 0.125) 1.882 16.862 ( -2.588 -0.000 -3.193) 4.110 16.886 ( 0.514 -0.000 -1.796) 1.868 17.124 ( -14.886 0.000 1.954) 15.014 17.181 ( -3.611 0.000 4.756) 5.971 17.799 ( -1.137 -0.000 -4.542) 4.683 17.945 ( -0.530 -0.000 -9.966) 9.980 18.422 ( -2.635 -0.000 -0.212) 2.643 18.981 ( 0.639 0.000 8.646) 8.669 ======================= Grid point 76 (70/160) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -0.000 10.322 3.841) 11.013 2.218 ( -0.000 22.658 -0.001) 22.658 2.718 ( -0.000 0.744 -6.378) 6.422 2.827 ( -0.000 -8.842 -18.744) 20.725 3.126 ( 0.000 -3.502 -2.164) 4.116 3.878 ( 0.000 -1.618 2.669) 3.121 4.066 ( -0.000 1.580 -3.660) 3.986 4.190 ( 0.000 5.210 12.939) 13.948 4.406 ( -0.000 2.473 -0.630) 2.552 4.768 ( -0.000 -5.252 -15.787) 16.638 4.899 ( 0.000 -4.940 11.083) 12.134 5.220 ( 0.000 -5.157 -0.726) 5.208 5.399 ( -0.000 40.030 13.921) 42.381 5.860 ( 0.000 -1.862 6.727) 6.980 5.996 ( 0.000 -24.506 -12.778) 27.638 6.591 ( -0.000 25.483 -0.477) 25.488 6.642 ( 0.000 -22.597 2.066) 22.692 8.414 ( -0.000 9.939 1.302) 10.024 8.487 ( 0.000 -1.923 2.891) 3.473 10.082 ( -0.000 1.663 -5.914) 6.144 10.647 ( -0.000 6.617 4.109) 7.789 10.792 ( -0.000 16.346 2.484) 16.534 11.478 ( 0.000 -15.706 -3.162) 16.021 11.763 ( 0.000 -9.565 -2.387) 9.858 13.691 ( -0.000 7.233 0.184) 7.235 13.697 ( 0.000 -2.820 3.520) 4.510 14.089 ( -0.000 1.703 -2.033) 2.652 14.863 ( 0.000 -3.724 2.467) 4.467 15.082 ( 0.000 -1.930 -0.057) 1.931 15.098 ( -0.000 1.276 0.124) 1.282 15.488 ( 0.000 -3.379 1.489) 3.692 15.915 ( -0.000 3.910 -1.703) 4.265 16.528 ( -0.000 2.770 2.249) 3.568 16.685 ( 0.000 -3.855 -0.822) 3.942 16.927 ( 0.000 -2.452 -0.189) 2.459 16.960 ( -0.000 2.224 0.161) 2.230 17.539 ( 0.000 -6.594 5.045) 8.302 17.863 ( -0.000 -2.806 -5.082) 5.806 18.021 ( -0.000 1.205 -3.624) 3.819 18.246 ( 0.000 -7.529 0.381) 7.539 18.310 ( -0.000 7.099 -4.030) 8.164 18.839 ( 0.000 -1.790 3.835) 4.232 ======================= Grid point 77 (71/160) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -7.075 -0.000 -15.245) 16.807 1.889 ( -4.064 -0.000 -16.711) 17.199 2.749 ( 1.408 -0.000 -1.028) 1.743 3.098 ( 13.663 0.000 6.691) 15.214 3.655 ( -19.450 -0.000 -17.631) 26.252 3.751 ( 2.833 -0.000 -5.117) 5.849 3.784 ( -3.762 0.000 3.665) 5.252 4.109 ( 1.095 -0.000 -0.049) 1.096 4.146 ( -2.060 -0.000 -0.969) 2.276 4.448 ( -8.592 0.000 2.095) 8.844 4.910 ( 0.829 -0.000 -1.430) 1.653 5.291 ( -2.742 -0.000 -3.900) 4.768 5.318 ( 9.817 -0.000 -3.648) 10.473 6.204 ( -13.434 0.000 11.312) 17.562 6.215 ( -16.191 0.000 2.307) 16.354 7.500 ( 17.708 -0.000 -0.458) 17.714 7.645 ( 8.401 -0.000 -0.491) 8.415 8.308 ( 2.271 0.000 4.310) 4.872 8.876 ( 1.916 -0.000 -5.513) 5.837 9.672 ( -0.762 -0.000 -6.514) 6.559 9.787 ( -41.567 -0.000 -18.519) 45.506 11.665 ( -9.259 0.000 3.700) 9.971 12.275 ( 17.026 0.000 3.058) 17.299 12.638 ( -4.046 0.000 7.649) 8.653 12.943 ( -10.350 0.000 8.394) 13.326 13.236 ( 4.889 0.000 2.209) 5.365 13.841 ( 10.207 -0.000 -8.306) 13.160 13.923 ( 1.977 0.000 5.404) 5.754 15.404 ( -3.503 0.000 0.575) 3.549 15.927 ( -2.527 -0.000 -0.418) 2.561 16.036 ( -6.791 0.000 0.377) 6.801 16.059 ( -1.414 -0.000 -0.316) 1.448 16.365 ( 2.199 0.000 0.317) 2.222 16.372 ( 3.767 -0.000 -1.856) 4.199 16.756 ( 0.782 0.000 0.947) 1.228 16.826 ( -3.253 0.000 0.796) 3.349 17.155 ( 14.366 0.000 1.486) 14.443 17.350 ( 4.348 0.000 2.824) 5.185 17.603 ( 0.319 -0.000 -1.316) 1.355 17.710 ( -3.931 0.000 0.696) 3.993 18.379 ( 2.875 0.000 0.813) 2.988 19.135 ( -0.076 0.000 2.073) 2.075 ======================= Grid point 78 (72/160) ======================= q-point: (-0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 6.981 -13.596 0.616) 15.296 2.651 ( 2.078 2.841 4.103) 5.406 3.059 ( 10.516 -15.117 -0.007) 18.414 3.207 ( 9.124 12.875 6.172) 16.944 3.599 ( 9.500 2.576 3.135) 10.330 3.845 ( -3.731 -0.510 5.895) 6.995 3.924 ( -0.122 0.726 -1.412) 1.592 4.095 ( 0.351 5.724 -2.939) 6.444 4.287 ( -2.616 -8.339 2.974) 9.232 4.526 ( -6.528 2.093 3.232) 7.579 5.182 ( 6.387 5.094 -7.539) 11.117 5.406 ( -1.749 -20.061 -8.977) 22.047 5.643 ( 9.682 12.233 -1.660) 15.689 6.057 ( 2.627 -4.817 7.733) 9.482 6.216 ( 5.560 3.206 -2.060) 6.741 6.300 ( -4.999 -9.377 0.675) 10.648 6.625 ( 6.772 10.382 -1.424) 12.476 7.786 ( -21.518 0.969 -1.754) 21.612 9.744 ( 24.923 0.268 -9.253) 26.586 10.244 ( 0.929 -19.857 1.091) 19.908 10.798 ( 11.838 13.649 5.233) 18.810 11.076 ( 3.861 -10.407 5.701) 12.478 11.535 ( 5.815 7.567 -1.354) 9.639 12.374 ( 17.340 5.579 1.279) 18.260 12.863 ( -19.853 3.977 -3.654) 20.575 13.634 ( -15.381 -4.634 0.312) 16.067 14.154 ( 7.977 -5.201 -0.253) 9.526 14.611 ( -7.501 4.122 -0.851) 8.601 15.464 ( 8.628 -0.700 -0.691) 8.684 15.473 ( 8.307 0.456 -0.986) 8.377 15.686 ( 6.128 3.811 -0.543) 7.237 15.879 ( -0.827 -2.036 0.807) 2.341 16.103 ( -9.023 0.316 -0.739) 9.059 16.167 ( -11.057 -1.221 -0.455) 11.134 16.971 ( 0.457 -10.487 0.173) 10.498 17.007 ( -0.353 11.907 1.779) 12.044 17.602 ( 2.616 3.710 -3.404) 5.675 17.821 ( -3.579 -0.164 1.476) 3.875 17.931 ( -0.905 -0.005 2.458) 2.620 18.091 ( -5.991 -0.715 0.472) 6.052 18.245 ( 1.481 1.667 2.150) 3.098 18.516 ( -7.496 -0.879 -1.572) 7.710 ======================= Grid point 79 (73/160) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -0.000 -0.000 -25.432) 25.432 0.557 ( -0.000 -0.000 -28.736) 28.736 0.973 ( -0.000 -0.000 -50.246) 50.246 2.782 ( 0.000 0.000 0.054) 0.054 3.751 ( -0.000 -0.000 -1.006) 1.006 3.787 ( 0.000 0.000 2.696) 2.696 3.948 ( -0.000 -0.000 -2.527) 2.527 4.251 ( 0.000 0.000 2.069) 2.069 4.296 ( 0.000 0.000 9.716) 9.716 4.370 ( 0.000 0.000 13.716) 13.716 4.732 ( -0.000 -0.000 -2.634) 2.634 4.924 ( -0.000 -0.000 -8.097) 8.097 5.231 ( -0.000 -0.000 -14.337) 14.337 5.556 ( 0.000 0.000 5.378) 5.378 5.981 ( 0.000 0.000 3.227) 3.227 7.273 ( -0.000 -0.000 -15.390) 15.390 7.813 ( -0.000 -0.000 -4.306) 4.306 8.119 ( 0.000 0.000 2.313) 2.313 8.584 ( -0.000 -0.000 -6.642) 6.642 8.896 ( 0.000 0.000 4.484) 4.484 9.260 ( -0.000 -0.000 -5.515) 5.515 11.153 ( 0.000 0.000 2.592) 2.592 12.210 ( -0.000 -0.000 -6.419) 6.419 12.736 ( 0.000 0.000 5.208) 5.208 13.039 ( 0.000 0.000 4.895) 4.895 13.857 ( -0.000 -0.000 -5.299) 5.299 13.917 ( 0.000 0.000 4.893) 4.893 14.268 ( 0.000 0.000 4.182) 4.182 15.270 ( 0.000 0.000 0.584) 0.584 15.744 ( 0.000 0.000 0.120) 0.120 15.995 ( -0.000 -0.000 -0.234) 0.234 16.017 ( 0.000 0.000 0.831) 0.831 16.438 ( -0.000 -0.000 -0.295) 0.295 16.749 ( 0.000 0.000 5.275) 5.275 16.872 ( 0.000 0.000 3.571) 3.571 17.016 ( 0.000 0.000 0.589) 0.589 17.094 ( -0.000 -0.000 -6.345) 6.345 17.301 ( -0.000 -0.000 -5.389) 5.389 17.852 ( 0.000 0.000 4.748) 4.748 17.868 ( 0.000 0.000 3.797) 3.797 18.517 ( -0.000 -0.000 -0.008) 0.008 19.507 ( 0.000 0.000 4.196) 4.196 ======================= Grid point 81 (74/160) ======================= q-point: (-0.47 0.13 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 10.001 -19.414 -6.127) 22.682 2.238 ( 20.013 -17.717 -9.038) 28.216 2.803 ( 1.714 -0.738 4.843) 5.190 3.213 ( 11.837 9.689 10.742) 18.691 3.584 ( 7.517 12.012 3.792) 14.668 3.801 ( -2.493 -14.374 1.458) 14.661 3.938 ( -1.260 -1.881 -0.711) 2.373 4.109 ( 1.314 -3.699 -7.675) 8.621 4.221 ( -2.898 -2.860 0.252) 4.079 4.688 ( -2.339 -1.928 -1.879) 3.567 4.840 ( -1.091 -11.856 -6.604) 13.615 5.121 ( 7.945 -1.153 -3.300) 8.680 5.483 ( 5.868 -10.178 5.740) 13.076 5.953 ( 0.083 -7.767 -6.983) 10.445 6.025 ( 7.457 1.412 -2.125) 7.881 6.698 ( 0.776 32.480 5.782) 33.000 7.032 ( -4.963 21.626 -1.264) 22.224 8.154 ( -15.500 0.099 -0.580) 15.511 9.007 ( 34.941 -9.422 -10.710) 37.741 9.763 ( 0.303 -25.148 -2.632) 25.287 10.467 ( 6.693 -23.590 -6.912) 25.477 11.000 ( 9.647 14.669 5.589) 18.425 11.882 ( -0.309 20.976 4.900) 21.543 12.236 ( 12.688 11.411 6.749) 18.350 13.201 ( -12.955 -7.640 -0.705) 15.057 13.703 ( -3.224 -8.187 -6.831) 11.139 13.920 ( -3.481 -4.527 0.527) 5.735 14.721 ( -4.913 -5.712 1.743) 7.733 15.129 ( 9.453 -4.102 -0.600) 10.322 15.574 ( 7.076 14.527 -0.518) 16.167 15.677 ( 3.536 4.676 2.268) 6.286 15.924 ( 0.173 5.193 -1.830) 5.509 16.316 ( -8.533 2.993 0.010) 9.042 16.418 ( -12.780 1.705 -1.343) 12.963 16.735 ( -0.272 -11.869 1.217) 11.935 17.169 ( 2.462 5.673 0.167) 6.186 17.584 ( 0.187 -3.785 1.262) 3.995 17.834 ( -3.969 -6.967 0.732) 8.051 17.880 ( -1.961 -3.498 5.024) 6.428 18.085 ( -2.562 -6.817 4.995) 8.831 18.339 ( -1.216 4.864 0.932) 5.100 18.740 ( -7.985 6.937 -3.444) 11.124 ======================= Grid point 83 (75/160) ======================= q-point: (-0.47 0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 9.565 -7.639 0.000) 12.241 2.867 ( 7.605 -4.218 0.000) 8.697 3.016 ( 0.972 0.551 -0.000) 1.117 3.514 ( -4.788 7.410 -0.000) 8.822 3.806 ( -6.804 -7.332 0.000) 10.003 3.907 ( -6.266 -5.465 0.000) 8.315 3.987 ( -5.169 -5.388 0.000) 7.466 4.238 ( -5.338 6.761 -0.000) 8.614 4.391 ( 9.256 4.961 -0.000) 10.502 4.419 ( 7.223 1.148 -0.000) 7.313 4.628 ( 3.721 -15.121 0.000) 15.572 5.323 ( -4.945 -23.731 0.000) 24.241 5.458 ( 5.951 4.170 -0.000) 7.267 6.254 ( 4.403 13.607 -0.000) 14.301 6.415 ( -4.757 9.072 -0.000) 10.244 6.684 ( -7.525 10.184 -0.000) 12.663 6.903 ( -15.519 21.580 -0.000) 26.581 7.265 ( 20.384 -1.916 0.000) 20.474 9.631 ( -3.511 -14.560 0.000) 14.977 10.236 ( 14.832 -0.413 0.000) 14.838 11.188 ( 6.874 -7.933 0.000) 10.497 11.440 ( -27.076 0.515 -0.000) 27.081 11.841 ( -17.528 16.342 -0.000) 23.964 12.099 ( 25.540 -2.300 0.000) 25.644 12.672 ( -24.328 -7.351 0.000) 25.414 13.475 ( 19.161 8.908 -0.000) 21.131 14.142 ( 8.288 -18.345 0.000) 20.130 14.396 ( -7.676 -2.224 0.000) 7.992 15.432 ( -3.744 -3.971 0.000) 5.457 15.669 ( -2.901 2.948 -0.000) 4.136 15.805 ( -4.991 7.071 -0.000) 8.655 15.995 ( 3.612 4.237 -0.000) 5.568 15.997 ( -0.098 8.283 -0.000) 8.284 16.091 ( 7.035 6.724 -0.000) 9.732 16.769 ( 0.975 -14.522 0.000) 14.555 17.133 ( -1.662 2.325 -0.000) 2.858 17.448 ( -8.071 -10.151 0.000) 12.969 17.722 ( 3.381 -7.033 0.000) 7.803 17.928 ( 4.186 -2.740 0.000) 5.003 17.962 ( -2.123 -0.259 -0.000) 2.139 18.350 ( -0.462 2.093 -0.000) 2.144 18.492 ( 2.464 6.417 -0.000) 6.874 ======================= Grid point 85 (76/160) ======================= q-point: (-0.47 -0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -16.569 -8.048 -7.489) 19.884 2.509 ( 0.750 -3.609 -18.083) 18.455 2.707 ( -6.057 4.208 -7.495) 10.515 2.855 ( -5.084 10.775 -4.911) 12.886 3.406 ( -4.602 16.276 0.127) 16.915 3.878 ( -0.484 -1.348 2.497) 2.879 3.981 ( 4.242 -5.635 -5.390) 8.877 4.179 ( 8.251 -1.074 8.511) 11.903 4.514 ( -2.391 4.752 -1.002) 5.413 4.639 ( -0.510 -2.098 -7.728) 8.024 4.741 ( -2.885 -10.356 8.277) 13.568 5.123 ( -3.662 -9.666 -2.758) 10.698 5.549 ( -2.650 -15.724 -11.677) 19.764 5.837 ( -1.834 -1.983 6.882) 7.393 6.229 ( -0.957 -3.505 -1.202) 3.827 6.367 ( -1.513 33.124 7.722) 34.046 7.092 ( 4.045 24.801 0.853) 25.143 8.329 ( 8.724 -3.332 4.088) 10.195 8.790 ( -20.611 4.874 -5.620) 21.912 9.905 ( -3.320 -17.351 -6.851) 18.948 10.737 ( -0.017 -18.315 -8.560) 20.216 10.910 ( -1.942 11.172 -5.541) 12.621 11.563 ( -3.437 18.733 8.849) 21.001 11.759 ( -6.501 3.211 7.614) 10.514 13.421 ( 13.075 -7.353 2.277) 15.173 13.803 ( -8.117 -8.333 -2.749) 11.954 14.079 ( 4.348 1.999 -3.174) 5.743 14.655 ( 2.734 -13.184 5.697) 14.620 14.966 ( -6.143 -4.517 0.722) 7.659 15.450 ( -4.900 16.346 0.198) 17.066 15.526 ( -1.726 5.065 2.670) 5.980 16.047 ( 0.800 8.495 -4.076) 9.456 16.483 ( 7.814 -0.333 0.029) 7.821 16.607 ( 8.277 3.411 3.150) 9.490 16.727 ( -1.628 -13.264 -1.025) 13.403 17.061 ( -2.070 2.663 1.009) 3.521 17.371 ( -1.277 -10.218 8.497) 13.351 17.796 ( -0.621 -4.667 -1.634) 4.984 17.924 ( 1.596 -8.347 -1.546) 8.637 18.081 ( 0.641 -7.422 -2.137) 7.750 18.406 ( 2.702 4.661 -2.546) 5.959 18.817 ( 3.843 3.507 4.749) 7.045 ======================= Grid point 86 (77/160) ======================= q-point: (-0.35 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 17.726 -10.907 0.000) 20.813 2.306 ( 15.489 -19.302 0.000) 24.748 3.116 ( 4.263 5.534 -0.000) 6.985 3.500 ( -6.068 -12.253 0.000) 13.673 3.653 ( 13.071 -19.783 0.000) 23.711 3.799 ( -4.778 -2.712 0.000) 5.494 4.149 ( -7.726 5.702 -0.000) 9.603 4.174 ( 7.066 -1.043 0.000) 7.143 4.276 ( 5.598 5.258 -0.000) 7.680 4.490 ( -3.747 7.544 -0.000) 8.423 4.592 ( 6.731 7.875 -0.000) 10.360 4.889 ( -3.206 -24.465 0.000) 24.675 5.258 ( 8.901 -5.596 0.000) 10.514 6.459 ( 9.335 15.686 -0.000) 18.254 6.675 ( 6.654 11.645 -0.000) 13.411 7.023 ( -0.266 2.495 -0.000) 2.509 7.024 ( -14.701 2.592 -0.000) 14.927 7.659 ( -10.643 25.016 -0.000) 27.186 9.263 ( 3.119 -18.544 0.000) 18.805 9.791 ( 18.924 -7.827 0.000) 20.479 10.540 ( 32.217 -17.158 0.000) 36.501 11.917 ( 7.937 10.740 -0.000) 13.354 11.966 ( -18.353 6.226 -0.000) 19.381 12.403 ( -20.255 0.096 -0.000) 20.255 12.974 ( -16.883 -1.616 -0.000) 16.960 13.322 ( 18.490 11.902 -0.000) 21.989 13.652 ( 2.439 -14.837 0.000) 15.036 14.391 ( -7.303 -10.489 0.000) 12.781 15.390 ( 4.085 0.862 -0.000) 4.175 15.826 ( -2.072 6.897 -0.000) 7.202 15.995 ( -2.859 4.584 -0.000) 5.403 16.067 ( 6.389 1.775 -0.000) 6.631 16.073 ( 0.335 6.135 -0.000) 6.144 16.250 ( -1.658 10.281 -0.000) 10.414 16.528 ( -3.601 -6.843 0.000) 7.733 17.126 ( -0.555 -4.498 0.000) 4.532 17.376 ( -7.678 -12.143 0.000) 14.366 17.484 ( -0.243 -12.707 0.000) 12.709 17.864 ( -0.791 -1.189 0.000) 1.428 18.030 ( -6.128 -1.371 0.000) 6.279 18.385 ( 0.322 1.222 -0.000) 1.264 18.641 ( 0.862 10.225 -0.000) 10.262 ======================= Grid point 88 (78/160) ======================= q-point: (-0.35 -0.32 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -4.942 -8.491 -21.060) 23.239 2.520 ( -12.224 -5.987 -12.293) 18.341 2.874 ( -7.772 -3.501 -7.092) 11.089 3.217 ( 2.613 11.508 -2.365) 12.036 3.579 ( 5.546 -5.955 2.309) 8.458 3.734 ( -0.269 0.883 -5.679) 5.754 3.794 ( -0.804 -3.111 6.512) 7.261 4.148 ( -3.134 1.260 0.449) 3.407 4.460 ( 1.466 -3.761 -10.873) 11.598 4.673 ( 0.403 2.619 3.310) 4.240 4.840 ( 1.545 -17.913 -7.912) 19.643 4.893 ( -3.392 12.614 5.203) 14.060 5.444 ( -6.682 -4.824 -5.224) 9.758 5.869 ( -7.946 -3.093 7.597) 11.420 6.160 ( -5.058 -3.848 -3.915) 7.465 7.142 ( -0.938 30.446 7.103) 31.278 7.428 ( 6.833 17.990 -0.132) 19.244 8.067 ( 13.207 0.444 6.183) 14.590 9.254 ( -14.552 -3.736 -4.381) 15.649 9.682 ( -19.388 -13.916 -16.424) 28.970 10.302 ( 0.990 -20.159 -6.886) 21.326 11.209 ( -7.749 9.342 -3.772) 12.710 12.014 ( -3.263 12.565 10.226) 16.525 12.105 ( -11.051 15.228 8.073) 20.474 12.940 ( 16.750 -10.608 3.985) 20.222 13.681 ( -4.004 -14.201 -4.655) 15.472 14.018 ( 7.385 2.492 -3.852) 8.694 14.285 ( 2.471 -15.968 7.343) 17.748 15.114 ( -9.378 3.210 0.844) 9.948 15.705 ( -1.571 8.148 1.591) 8.449 15.849 ( -5.060 11.249 0.258) 12.337 16.178 ( 2.709 6.122 -3.332) 7.478 16.270 ( 2.550 -9.437 0.526) 9.790 16.478 ( 8.978 3.285 0.672) 9.584 16.558 ( 3.744 -0.368 -0.614) 3.812 17.118 ( -3.000 -7.384 4.893) 9.353 17.235 ( -1.966 -1.309 7.602) 7.960 17.630 ( 3.204 -10.330 1.576) 10.930 17.723 ( 0.933 -7.414 -3.917) 8.437 17.927 ( 0.270 -6.044 -2.794) 6.663 18.412 ( 3.500 2.150 -1.746) 4.463 18.853 ( 2.957 6.833 5.271) 9.122 ======================= Grid point 89 (79/160) ======================= q-point: ( 0.15 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 3.606 11.193 4.123) 12.461 2.638 ( 4.034 13.225 4.980) 14.696 2.807 ( 1.857 10.906 5.565) 12.384 3.012 ( -7.199 5.389 -6.293) 10.976 3.689 ( 1.712 -0.211 -1.743) 2.453 3.790 ( 1.321 -1.530 -0.967) 2.241 3.970 ( 3.251 0.186 0.858) 3.367 4.207 ( 0.860 -5.531 1.497) 5.794 4.413 ( 1.369 -2.937 -0.852) 3.350 4.518 ( -1.299 6.273 2.262) 6.793 4.747 ( 1.432 9.736 3.287) 10.375 4.999 ( -3.044 0.919 -2.892) 4.298 5.521 ( 1.853 4.362 2.012) 5.148 6.316 ( 4.503 -6.842 1.175) 8.275 6.460 ( 11.127 -1.594 -2.526) 11.521 7.049 ( -9.748 -9.423 0.309) 13.561 7.273 ( 0.432 -10.883 -0.788) 10.920 7.647 ( -7.212 -22.431 -1.155) 23.590 9.326 ( -0.105 20.412 0.763) 20.427 10.118 ( 2.983 18.473 4.557) 19.259 10.588 ( 16.946 3.290 5.443) 18.100 11.481 ( 6.582 -12.161 -2.339) 14.024 12.057 ( -9.884 0.627 -2.584) 10.236 12.426 ( -6.450 -9.066 -2.461) 11.395 12.911 ( 14.079 -4.798 -6.662) 16.298 13.433 ( -10.636 -1.348 6.244) 12.407 13.737 ( 0.190 14.796 1.571) 14.881 14.290 ( -1.816 12.203 -2.139) 12.521 15.431 ( 3.664 -0.397 -0.026) 3.686 15.802 ( 1.286 -4.410 -0.713) 4.649 15.993 ( 1.329 -6.929 0.375) 7.065 16.041 ( -1.629 -6.550 0.154) 6.751 16.216 ( -1.578 -5.251 1.205) 5.614 16.230 ( -0.445 -9.633 -0.289) 9.648 16.428 ( -2.204 9.589 -0.657) 9.861 17.319 ( 1.835 3.530 -4.373) 5.912 17.352 ( -0.941 6.756 2.673) 7.326 17.525 ( -1.255 10.285 -4.107) 11.146 17.541 ( -2.288 9.706 3.580) 10.595 17.897 ( -0.090 3.686 0.059) 3.687 18.326 ( -0.699 -0.734 -0.360) 1.076 18.814 ( -0.957 -13.616 -0.114) 13.650 ======================= Grid point 92 (80/160) ======================= q-point: ( 0.27 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 6.896 13.137 9.464) 17.598 2.645 ( 4.727 0.139 1.914) 5.102 2.860 ( 9.815 7.676 7.131) 14.357 3.260 ( 6.119 -1.062 -4.855) 7.883 3.651 ( 4.328 -4.219 -2.955) 6.728 3.719 ( -0.986 5.573 -0.739) 5.708 3.926 ( 0.867 0.226 0.286) 0.941 4.089 ( -3.612 -0.644 -0.956) 3.792 4.311 ( 1.849 -3.376 4.958) 6.277 4.570 ( -5.125 -5.755 -1.685) 7.889 5.092 ( 2.279 22.279 10.453) 24.715 5.157 ( 3.163 10.357 -8.951) 14.050 5.585 ( 4.025 8.455 3.149) 9.880 6.070 ( 5.695 -5.447 1.810) 8.086 6.230 ( 6.974 2.021 2.499) 7.679 6.656 ( 4.927 -32.623 -2.771) 33.109 6.913 ( -3.987 -18.728 -3.553) 19.475 7.803 ( -20.581 -0.374 -0.982) 20.608 9.705 ( 11.367 15.747 -2.487) 19.579 10.029 ( 22.839 9.890 17.611) 30.489 10.671 ( 1.500 20.597 -0.075) 20.651 11.030 ( 7.811 -15.996 -2.342) 17.955 11.827 ( 3.480 -18.901 -3.369) 19.512 12.413 ( 16.594 -5.039 -5.819) 18.292 12.843 ( -18.707 5.398 -3.868) 19.851 13.649 ( -13.886 -1.319 5.000) 14.818 13.995 ( 5.571 13.358 3.632) 14.922 14.563 ( -5.874 6.665 -3.394) 9.511 15.325 ( 9.566 4.192 0.035) 10.444 15.692 ( 4.008 -1.709 -2.757) 5.156 15.719 ( 6.554 -12.143 0.311) 13.803 15.948 ( -1.188 -6.299 1.419) 6.566 16.155 ( -8.079 -4.292 -0.340) 9.154 16.225 ( -9.368 -4.158 1.109) 10.309 16.709 ( -0.907 13.968 0.059) 13.998 17.178 ( 1.209 -7.936 -1.869) 8.242 17.554 ( 1.345 8.460 -3.359) 9.201 17.757 ( -3.332 5.271 -0.202) 6.239 17.792 ( -2.098 8.651 0.379) 8.910 18.002 ( -2.081 5.482 0.292) 5.871 18.300 ( -0.460 -3.897 -0.850) 4.015 18.630 ( -6.594 -9.068 0.241) 11.215 ======================= Grid point 93 (81/160) ======================= q-point: (-0.23 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.000 -4.592 -22.977) 23.432 1.122 ( -0.000 -5.647 -28.449) 29.004 2.316 ( 0.000 -33.917 -36.159) 49.577 2.744 ( 0.000 1.811 2.254) 2.891 3.598 ( -0.000 13.593 2.563) 13.832 3.760 ( -0.000 4.270 -3.395) 5.455 4.028 ( -0.000 -0.793 -5.000) 5.062 4.082 ( 0.000 -5.238 7.707) 9.318 4.159 ( -0.000 2.520 2.614) 3.631 4.411 ( 0.000 -16.496 8.858) 18.724 4.752 ( 0.000 0.009 0.206) 0.206 5.028 ( -0.000 4.204 -9.097) 10.022 5.323 ( -0.000 9.599 9.293) 13.360 5.590 ( -0.000 -5.946 -14.978) 16.115 5.917 ( 0.000 -1.825 3.477) 3.927 7.740 ( -0.000 -7.012 -22.265) 23.343 7.781 ( -0.000 12.919 -1.645) 13.024 7.901 ( -0.000 13.434 0.519) 13.444 8.643 ( -0.000 9.188 3.798) 9.942 8.894 ( 0.000 -13.024 -9.910) 16.365 9.539 ( 0.000 -12.231 -9.844) 15.700 11.046 ( -0.000 4.194 3.219) 5.287 12.449 ( -0.000 -2.777 -5.623) 6.271 12.532 ( -0.000 7.762 7.564) 10.838 12.779 ( -0.000 5.053 1.826) 5.373 13.794 ( 0.000 -0.934 7.748) 7.804 13.973 ( -0.000 0.355 -5.966) 5.977 14.338 ( 0.000 -13.855 8.811) 16.419 15.104 ( -0.000 10.157 0.656) 10.178 15.906 ( -0.000 7.431 0.460) 7.445 15.944 ( -0.000 6.045 -0.186) 6.048 15.966 ( 0.000 -17.445 0.477) 17.452 16.206 ( -0.000 10.182 -5.371) 11.512 16.712 ( -0.000 4.414 3.957) 5.928 17.000 ( 0.000 -0.273 0.730) 0.780 17.041 ( 0.000 -16.858 12.503) 20.988 17.155 ( -0.000 3.300 -7.030) 7.766 17.544 ( 0.000 -8.425 -4.276) 9.448 17.742 ( 0.000 -5.755 6.817) 8.921 17.867 ( 0.000 -5.217 9.037) 10.435 18.506 ( -0.000 1.184 -0.152) 1.194 19.292 ( -0.000 8.438 4.046) 9.358 ======================= Grid point 95 (82/160) ======================= q-point: (-0.23 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 22.500 -9.638 0.000) 24.477 1.553 ( 18.257 -22.413 0.000) 28.908 2.787 ( 32.289 -14.148 0.000) 35.253 3.142 ( 9.165 5.255 -0.000) 10.565 3.447 ( -12.029 -7.938 0.000) 14.412 3.884 ( -7.589 -0.550 -0.000) 7.609 4.034 ( 7.981 1.606 -0.000) 8.141 4.339 ( -3.588 -3.923 0.000) 5.317 4.407 ( -5.494 6.350 -0.000) 8.397 4.447 ( 10.651 -0.010 0.000) 10.651 4.651 ( -0.693 -3.382 0.000) 3.453 4.658 ( -0.447 4.888 -0.000) 4.908 4.967 ( 7.610 -6.783 0.000) 10.195 6.454 ( 17.228 8.029 -0.000) 19.007 6.689 ( 9.855 10.477 -0.000) 14.384 7.273 ( -11.327 3.821 -0.000) 11.954 7.354 ( -16.986 0.086 -0.000) 16.986 8.245 ( -7.001 14.801 -0.000) 16.374 8.851 ( 5.128 -12.322 0.000) 13.347 9.191 ( 42.009 -0.885 0.000) 42.018 9.610 ( 16.104 -17.414 0.000) 23.719 12.006 ( 6.664 9.846 -0.000) 11.889 12.263 ( -6.919 -5.365 0.000) 8.756 12.563 ( -7.347 -0.603 -0.000) 7.372 13.286 ( 14.274 15.342 -0.000) 20.955 13.319 ( -14.946 5.280 -0.000) 15.851 13.551 ( -10.920 -6.275 0.000) 12.595 14.293 ( -7.254 -12.125 0.000) 14.129 15.356 ( 5.737 5.659 -0.000) 8.058 15.901 ( 4.033 -6.886 0.000) 7.980 15.970 ( 0.474 5.196 -0.000) 5.217 16.051 ( 0.285 0.049 -0.000) 0.289 16.252 ( 7.545 0.773 0.000) 7.584 16.276 ( -5.089 6.662 -0.000) 8.384 16.762 ( -7.028 9.550 -0.000) 11.857 17.015 ( -1.489 -7.342 0.000) 7.492 17.251 ( -5.187 -11.227 0.000) 12.367 17.271 ( -6.579 -11.906 0.000) 13.603 17.869 ( -2.280 -2.076 0.000) 3.084 18.110 ( -7.030 -3.267 0.000) 7.752 18.403 ( -0.295 1.034 -0.000) 1.075 18.799 ( 2.740 6.807 -0.000) 7.337 ======================= Grid point 96 (83/160) ======================= q-point: ( 0.27 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.000 29.223 6.047) 29.842 1.694 ( -0.000 27.704 -0.862) 27.717 2.720 ( -0.000 1.503 -1.641) 2.225 3.317 ( -0.000 -4.705 -11.115) 12.069 3.493 ( 0.000 -12.645 -7.235) 14.568 3.747 ( -0.000 39.024 4.049) 39.233 3.854 ( 0.000 -5.428 9.549) 10.984 3.960 ( 0.000 -0.300 2.581) 2.598 4.327 ( -0.000 3.266 -1.521) 3.603 4.579 ( -0.000 8.989 4.841) 10.210 4.758 ( 0.000 0.836 7.175) 7.223 5.189 ( -0.000 -6.999 -14.426) 16.034 5.259 ( 0.000 -1.403 4.192) 4.420 5.758 ( 0.000 -4.292 9.794) 10.694 5.945 ( -0.000 28.470 0.142) 28.470 6.808 ( 0.000 -30.079 -4.726) 30.448 7.083 ( 0.000 -22.868 3.381) 23.117 8.037 ( -0.000 17.919 5.203) 18.659 8.466 ( 0.000 -0.768 1.877) 2.029 9.719 ( -0.000 29.894 1.481) 29.931 10.226 ( -0.000 25.383 4.319) 25.748 10.726 ( 0.000 -12.892 -0.376) 12.898 12.009 ( 0.000 -21.501 -4.577) 21.983 12.143 ( 0.000 -16.261 -4.710) 16.930 13.289 ( -0.000 23.871 3.835) 24.177 13.699 ( 0.000 -3.310 2.757) 4.307 14.076 ( -0.000 2.824 -1.660) 3.275 14.838 ( -0.000 3.766 0.044) 3.766 14.923 ( -0.000 3.687 -0.043) 3.687 15.413 ( 0.000 -17.262 -0.147) 17.262 15.604 ( 0.000 -7.698 0.246) 7.701 15.877 ( 0.000 -1.144 1.871) 2.193 16.558 ( 0.000 -4.931 -3.110) 5.830 16.713 ( -0.000 15.137 -0.213) 15.139 16.763 ( 0.000 -5.201 3.380) 6.202 17.032 ( 0.000 -1.480 0.039) 1.481 17.604 ( 0.000 -2.147 -0.751) 2.275 17.935 ( -0.000 9.867 -1.026) 9.920 18.042 ( -0.000 -2.311 -5.413) 5.886 18.302 ( -0.000 6.306 -10.202) 11.994 18.372 ( 0.000 -5.017 0.389) 5.032 18.846 ( 0.000 -8.131 6.515) 10.419 ======================= Grid point 97 (84/160) ======================= q-point: (-0.23 -0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 1.207 -3.319 -16.360) 16.736 2.440 ( 0.509 -16.810 -16.924) 23.859 2.824 ( -0.174 -1.634 -3.447) 3.819 3.028 ( 10.045 -4.994 3.724) 11.820 3.698 ( -4.843 5.335 -2.412) 7.598 3.799 ( -9.396 0.601 -0.874) 9.456 3.854 ( 0.625 4.584 -0.579) 4.663 4.159 ( 0.196 -3.237 -0.171) 3.247 4.383 ( 1.293 -8.234 -9.003) 12.269 4.477 ( -0.989 -7.142 -3.810) 8.155 4.822 ( 0.159 9.328 -1.634) 9.472 5.127 ( 4.889 10.264 6.000) 12.855 5.426 ( 0.653 -5.096 0.162) 5.140 6.061 ( -17.562 -1.802 5.357) 18.449 6.263 ( -13.256 -2.485 -3.601) 13.959 7.443 ( 13.102 7.332 2.552) 15.230 7.509 ( 8.829 6.597 3.116) 11.453 8.062 ( 1.829 13.863 5.061) 14.871 9.086 ( 3.635 -9.754 -4.070) 11.177 9.898 ( 1.812 -10.817 -5.596) 12.313 10.209 ( -35.646 -4.430 -18.237) 40.284 11.559 ( -8.945 8.008 -1.061) 12.053 12.153 ( 13.398 0.252 10.683) 17.137 12.457 ( 0.028 -0.303 8.353) 8.358 12.663 ( -8.792 10.210 6.364) 14.901 13.408 ( 1.077 -13.770 -3.411) 14.226 13.880 ( 5.951 -1.617 0.301) 6.174 14.010 ( 3.156 -6.468 -0.224) 7.200 15.357 ( -6.233 3.354 0.509) 7.097 15.883 ( -1.538 5.681 -0.235) 5.891 16.045 ( -1.925 2.038 0.306) 2.820 16.090 ( -5.597 -7.196 1.124) 9.185 16.250 ( 2.649 6.456 -1.067) 7.060 16.393 ( 5.901 2.043 -0.347) 6.254 16.614 ( 3.247 10.815 -0.999) 11.336 16.947 ( -2.537 -11.352 2.632) 11.926 17.246 ( 1.151 -2.069 9.309) 9.605 17.292 ( 6.922 -13.089 1.324) 14.866 17.637 ( 0.060 1.557 -7.338) 7.502 17.828 ( -1.359 -5.127 -2.628) 5.919 18.377 ( 2.589 0.563 -1.470) 3.030 18.979 ( -0.677 6.595 5.785) 8.798 ======================= Grid point 98 (85/160) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 22.676 0.000 0.000) 22.676 0.939 ( 24.826 0.000 0.000) 24.826 1.875 ( 45.339 0.000 0.000) 45.339 3.051 ( 7.699 0.000 0.000) 7.699 3.631 ( -13.846 -0.000 -0.000) 13.846 3.933 ( 5.427 0.000 0.000) 5.427 4.045 ( -8.903 -0.000 -0.000) 8.903 4.285 ( -4.370 -0.000 -0.000) 4.370 4.342 ( 8.814 0.000 0.000) 8.814 4.578 ( -3.125 -0.000 -0.000) 3.125 4.621 ( 0.282 0.000 0.000) 0.282 4.710 ( 0.387 0.000 0.000) 0.387 4.740 ( 4.826 0.000 0.000) 4.826 6.163 ( 20.226 0.000 0.000) 20.226 6.723 ( 3.028 0.000 0.000) 3.028 7.482 ( -5.229 -0.000 -0.000) 5.229 7.641 ( -12.023 -0.000 -0.000) 12.023 8.272 ( 43.680 0.000 0.000) 43.680 8.493 ( -4.095 -0.000 -0.000) 4.095 8.640 ( 3.249 0.000 0.000) 3.249 9.291 ( 4.614 0.000 0.000) 4.614 12.031 ( 4.712 0.000 0.000) 4.712 12.192 ( 1.335 0.000 0.000) 1.335 12.726 ( -6.024 -0.000 -0.000) 6.024 13.339 ( 6.594 0.000 0.000) 6.594 13.632 ( -8.840 -0.000 -0.000) 8.840 13.706 ( -12.968 -0.000 -0.000) 12.968 14.220 ( -4.477 -0.000 -0.000) 4.477 15.364 ( 3.874 0.000 0.000) 3.874 15.727 ( 2.064 0.000 0.000) 2.064 16.011 ( 0.897 0.000 0.000) 0.897 16.041 ( 0.547 0.000 0.000) 0.547 16.098 ( 8.574 0.000 0.000) 8.574 16.398 ( -1.733 -0.000 -0.000) 1.733 16.910 ( -0.100 -0.000 -0.000) 0.100 16.955 ( -2.780 -0.000 -0.000) 2.780 17.188 ( -2.713 -0.000 -0.000) 2.713 17.357 ( -11.426 -0.000 -0.000) 11.426 17.869 ( -1.337 -0.000 -0.000) 1.337 18.182 ( -6.337 -0.000 -0.000) 6.337 18.438 ( -1.691 -0.000 -0.000) 1.691 18.777 ( 6.406 0.000 0.000) 6.406 ======================= Grid point 99 (86/160) ======================= q-point: ( 0.39 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -16.191 14.948 2.497) 22.178 2.300 ( -3.965 26.911 -3.099) 27.377 2.918 ( -7.392 8.841 -5.255) 12.666 3.116 ( 2.707 -9.456 -13.056) 16.347 3.305 ( -6.745 -9.061 -5.610) 12.612 3.849 ( -5.133 -0.946 3.417) 6.239 3.960 ( 3.021 2.220 5.608) 6.745 4.123 ( 2.714 2.086 -4.430) 5.598 4.409 ( 0.830 5.749 0.560) 5.835 4.748 ( -5.946 -8.840 8.488) 13.621 4.945 ( 8.695 -1.362 -8.836) 12.471 5.153 ( -0.606 33.407 8.952) 34.590 5.338 ( -8.453 -0.323 -0.302) 8.464 5.735 ( -5.468 -1.914 8.617) 10.383 6.216 ( -0.702 -16.781 -9.057) 19.082 6.495 ( 1.654 4.857 5.759) 7.713 6.633 ( 4.200 -2.327 -2.376) 5.357 8.335 ( 8.286 -2.771 1.989) 8.961 8.593 ( -19.547 14.260 2.723) 24.349 10.253 ( -2.165 12.432 -7.435) 14.647 10.547 ( -1.400 2.996 5.430) 6.358 10.824 ( -7.900 20.845 1.370) 22.334 11.534 ( 0.664 -22.723 -2.675) 22.889 11.872 ( -6.386 -14.632 -1.893) 16.077 13.464 ( 11.988 -1.733 2.113) 12.296 13.804 ( -6.592 10.811 1.218) 12.721 14.084 ( 4.223 1.946 -1.492) 4.883 14.783 ( 2.818 -6.804 2.175) 7.679 15.141 ( -5.737 -5.108 0.149) 7.683 15.146 ( -5.227 4.232 0.227) 6.729 15.491 ( -2.958 -5.038 0.889) 5.909 15.933 ( 0.570 6.600 -0.511) 6.644 16.438 ( 6.788 -0.192 -0.092) 6.792 16.578 ( 9.392 -1.827 1.163) 9.639 16.953 ( -0.802 5.941 -0.469) 6.014 16.985 ( -2.898 -6.816 -0.059) 7.407 17.467 ( -0.685 -10.309 2.880) 10.726 17.953 ( 0.674 -3.576 -4.261) 5.604 18.054 ( 1.982 -0.153 -0.776) 2.134 18.246 ( 0.063 -5.719 -0.968) 5.801 18.388 ( 3.367 4.084 -6.897) 8.694 18.686 ( 4.615 -1.251 6.800) 8.313 ======================= Grid point 100 (87/160) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 8.338 -0.000 -4.269) 9.367 2.082 ( 10.794 -0.000 -8.544) 13.767 2.831 ( -0.015 -0.000 -10.156) 10.156 2.850 ( -0.361 0.000 0.652) 0.745 3.806 ( -1.930 0.000 2.090) 2.845 3.880 ( 3.631 -0.000 -13.661) 14.135 3.974 ( -2.622 0.000 0.665) 2.705 4.096 ( 0.801 -0.000 -0.458) 0.923 4.149 ( 4.994 0.000 4.778) 6.911 4.563 ( -8.573 0.000 2.650) 8.973 4.887 ( 5.579 -0.000 -3.558) 6.617 5.169 ( 5.846 0.000 2.304) 6.284 5.267 ( 1.732 0.000 7.257) 7.460 6.413 ( -19.951 -0.000 -0.624) 19.960 6.493 ( -9.532 -0.000 -5.129) 10.825 7.194 ( 14.168 0.000 0.011) 14.168 7.445 ( 5.610 0.000 6.847) 8.852 8.248 ( -2.339 0.000 2.053) 3.112 8.899 ( 4.114 -0.000 -2.871) 5.017 9.713 ( 4.195 -0.000 -0.903) 4.291 10.673 ( -7.453 -0.000 -12.068) 14.184 11.776 ( 7.065 0.000 9.883) 12.149 11.810 ( -5.306 -0.000 -4.484) 6.947 12.569 ( -5.966 0.000 9.387) 11.122 13.033 ( -13.293 0.000 5.943) 14.561 13.196 ( 1.808 -0.000 -1.139) 2.137 13.772 ( 12.162 -0.000 -6.757) 13.913 13.865 ( -3.164 0.000 0.880) 3.284 15.453 ( -1.779 -0.000 -0.299) 1.804 15.962 ( -0.486 -0.000 -1.067) 1.173 16.076 ( -0.424 0.000 0.604) 0.738 16.135 ( -2.550 0.000 4.068) 4.801 16.329 ( 0.664 0.000 0.162) 0.684 16.362 ( -1.180 -0.000 -3.266) 3.473 16.765 ( -1.629 -0.000 -0.543) 1.717 16.879 ( -2.035 -0.000 -0.045) 2.036 16.890 ( 8.863 0.000 1.388) 8.971 17.187 ( 0.416 0.000 6.766) 6.779 17.682 ( 0.737 -0.000 -6.240) 6.284 17.791 ( -1.912 -0.000 -3.323) 3.834 18.350 ( 0.688 -0.000 -1.481) 1.633 19.082 ( -1.542 0.000 5.295) 5.515 ======================= Grid point 101 (88/160) ======================= q-point: ( 0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 5.721 -0.000 -0.000) 5.721 2.516 ( 6.514 -0.000 -0.000) 6.514 2.798 ( 16.848 0.000 0.000) 16.848 2.892 ( 10.717 -0.000 -0.000) 10.717 3.364 ( 11.026 -0.000 -0.000) 11.026 3.883 ( -5.553 -0.000 -0.000) 5.553 3.957 ( 0.730 -0.000 -0.000) 0.730 4.235 ( -4.846 -0.000 0.000) 4.846 4.286 ( -5.374 -0.000 -0.000) 5.374 4.544 ( -0.798 0.000 0.000) 0.798 5.160 ( 5.677 -0.000 -0.000) 5.677 5.428 ( 7.423 0.000 -0.000) 7.423 5.613 ( 0.329 -0.000 -0.000) 0.329 5.865 ( 4.185 0.000 0.000) 4.185 6.058 ( 8.233 -0.000 -0.000) 8.233 6.433 ( -6.365 0.000 -0.000) 6.365 6.615 ( -1.873 -0.000 -0.000) 1.873 8.164 ( -15.986 -0.000 -0.000) 15.986 9.240 ( 34.149 -0.000 -0.000) 34.149 10.126 ( 4.203 0.000 -0.000) 4.203 10.700 ( 1.232 -0.000 -0.000) 1.232 10.946 ( 4.306 0.000 -0.000) 4.306 11.469 ( 2.065 -0.000 -0.000) 2.065 12.025 ( 15.560 -0.000 -0.000) 15.560 13.260 ( -16.845 0.000 -0.000) 16.845 13.873 ( -10.200 -0.000 0.000) 10.200 14.008 ( 7.635 -0.000 -0.000) 7.635 14.755 ( -6.197 -0.000 -0.000) 6.197 15.293 ( 9.116 0.000 -0.000) 9.116 15.306 ( 9.530 -0.000 -0.000) 9.530 15.594 ( 4.359 -0.000 -0.000) 4.359 15.883 ( -0.664 -0.000 -0.000) 0.664 16.302 ( -10.301 0.000 -0.000) 10.301 16.393 ( -11.681 -0.000 -0.000) 11.681 16.972 ( 0.285 -0.000 -0.000) 0.285 16.975 ( 0.870 0.000 0.000) 0.870 17.623 ( 0.744 0.000 -0.000) 0.744 17.836 ( 0.453 -0.000 -0.000) 0.453 17.915 ( -2.339 -0.000 -0.000) 2.339 18.181 ( -4.073 -0.000 -0.000) 4.073 18.220 ( -1.078 0.000 -0.000) 1.078 18.694 ( -8.227 -0.000 -0.000) 8.227 ======================= Grid point 103 (89/160) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -12.870 -0.000 -22.456) 25.882 1.157 ( -6.200 -0.000 -25.338) 26.085 2.100 ( -19.170 -0.000 -40.595) 44.893 2.808 ( -3.661 0.000 0.182) 3.666 3.742 ( 6.125 -0.000 -1.090) 6.221 3.758 ( 1.258 0.000 2.447) 2.752 3.845 ( 8.751 0.000 4.419) 9.803 4.139 ( -2.451 0.000 4.819) 5.407 4.169 ( 0.646 0.000 3.717) 3.773 4.242 ( -6.047 0.000 5.568) 8.219 4.786 ( -1.989 -0.000 -2.490) 3.187 5.061 ( 1.815 -0.000 -10.074) 10.236 5.458 ( 4.783 -0.000 -13.762) 14.569 5.622 ( -16.384 0.000 6.206) 17.520 6.012 ( -11.121 0.000 11.701) 16.143 7.809 ( -2.134 -0.000 -12.935) 13.110 7.975 ( -19.678 -0.000 -14.336) 24.346 7.998 ( 6.548 0.000 2.114) 6.881 8.660 ( 9.555 0.000 5.441) 10.996 8.758 ( -0.060 -0.000 -9.869) 9.869 9.428 ( -1.734 -0.000 -9.681) 9.835 11.277 ( -16.513 0.000 9.070) 18.840 12.382 ( -0.080 -0.000 -10.197) 10.197 12.646 ( -3.147 0.000 7.699) 8.317 12.912 ( -1.042 0.000 8.555) 8.618 13.712 ( 6.944 0.000 9.218) 11.541 13.950 ( 3.441 -0.000 -7.387) 8.149 14.140 ( 1.587 0.000 7.111) 7.286 15.281 ( -2.614 0.000 0.905) 2.766 15.765 ( -2.614 0.000 0.207) 2.622 15.991 ( 0.173 0.000 1.467) 1.478 16.007 ( -0.606 -0.000 -0.424) 0.740 16.436 ( 1.088 -0.000 -0.420) 1.166 16.541 ( 10.083 -0.000 -3.759) 10.760 16.799 ( -0.585 0.000 3.897) 3.941 16.883 ( 4.801 0.000 1.261) 4.964 17.409 ( -10.408 -0.000 -1.034) 10.460 17.414 ( 1.688 -0.000 -7.372) 7.562 17.711 ( 5.119 0.000 7.100) 8.753 17.716 ( 0.703 0.000 8.143) 8.173 18.506 ( 1.317 0.000 0.634) 1.461 19.295 ( 8.054 0.000 1.945) 8.285 ======================= Grid point 109 (90/160) ======================= q-point: ( 0.51 -0.34 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -11.511 2.991 -0.815) 11.921 2.794 ( -2.212 1.041 -13.831) 14.045 2.937 ( -5.942 8.137 -5.217) 11.346 3.190 ( -7.379 -0.704 -8.725) 11.449 3.470 ( -6.127 6.453 4.202) 9.841 3.821 ( 3.041 -6.703 3.311) 8.071 3.905 ( 2.477 -5.483 -2.490) 6.511 4.082 ( -0.173 5.631 -3.910) 6.857 4.532 ( 1.658 5.491 2.612) 6.303 4.628 ( -7.195 -10.470 7.586) 14.796 4.761 ( 7.227 0.073 -7.154) 10.169 5.219 ( -2.472 -12.178 -0.611) 12.441 5.613 ( 1.273 1.859 3.804) 4.421 5.952 ( -11.292 -12.068 -4.634) 17.165 6.256 ( -3.975 -3.436 2.645) 5.882 6.300 ( -4.664 31.492 4.801) 32.195 6.988 ( 7.158 26.190 -1.317) 27.183 8.021 ( 14.887 -4.897 3.799) 16.125 9.253 ( -20.930 6.001 1.395) 21.818 10.245 ( -16.594 -15.723 -9.677) 24.824 10.715 ( 8.700 -1.605 0.572) 8.865 11.121 ( -4.040 2.405 -8.052) 9.324 11.520 ( -6.875 19.510 6.099) 21.566 11.860 ( -16.639 -6.442 4.317) 18.357 13.051 ( 19.336 -8.118 3.346) 21.236 14.000 ( 9.025 3.236 -1.830) 9.760 14.029 ( -8.052 -4.996 -3.870) 10.236 14.474 ( 4.820 -15.018 5.218) 16.613 15.111 ( -9.964 -4.611 0.547) 10.993 15.539 ( -3.582 3.574 1.175) 5.194 15.567 ( -7.277 14.829 0.255) 16.520 16.078 ( 2.888 9.475 -2.303) 10.170 16.293 ( 9.918 2.117 0.944) 10.185 16.390 ( 8.911 1.439 1.558) 9.160 16.778 ( -0.331 -13.583 -1.830) 13.710 17.076 ( -1.652 2.596 0.752) 3.168 17.275 ( -3.261 -11.429 5.336) 13.028 17.827 ( 1.834 -8.221 -1.608) 8.576 17.921 ( 0.523 -6.281 -0.929) 6.371 18.100 ( 2.582 -6.649 -2.024) 7.414 18.395 ( 4.295 4.617 -3.190) 7.067 18.642 ( 3.994 4.322 4.319) 7.299 ======================= Grid point 111 (91/160) ======================= q-point: ( 0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.000 28.945 -0.000) 28.945 1.135 ( -0.000 28.278 -0.000) 28.278 2.493 ( -0.000 57.830 -0.000) 57.830 2.740 ( 0.000 -1.390 0.000) 1.390 3.645 ( 0.000 -5.386 0.000) 5.386 3.697 ( 0.000 -1.465 0.000) 1.465 3.855 ( 0.000 -4.657 0.000) 4.657 4.061 ( 0.000 -8.960 0.000) 8.960 4.361 ( 0.000 -3.167 0.000) 3.167 4.491 ( 0.000 -0.070 0.000) 0.070 4.663 ( -0.000 1.335 -0.000) 1.335 5.150 ( -0.000 5.244 -0.000) 5.244 5.383 ( -0.000 26.057 -0.000) 26.057 5.506 ( 0.000 -5.102 0.000) 5.102 5.746 ( 0.000 -8.442 0.000) 8.442 7.431 ( 0.000 -24.586 0.000) 24.586 7.445 ( 0.000 -16.778 0.000) 16.778 7.591 ( -0.000 18.593 -0.000) 18.593 8.465 ( 0.000 -2.014 0.000) 2.014 9.101 ( -0.000 26.183 -0.000) 26.183 9.694 ( -0.000 21.544 -0.000) 21.544 10.977 ( 0.000 -9.794 0.000) 9.794 12.410 ( 0.000 -10.130 0.000) 10.130 12.503 ( 0.000 -13.282 0.000) 13.282 12.766 ( -0.000 17.753 -0.000) 17.753 13.733 ( 0.000 -2.924 0.000) 2.924 14.037 ( -0.000 2.878 -0.000) 2.878 14.730 ( -0.000 6.498 -0.000) 6.498 14.944 ( 0.000 -5.372 0.000) 5.372 15.742 ( 0.000 -13.656 0.000) 13.656 15.747 ( 0.000 -6.083 0.000) 6.083 15.912 ( 0.000 -4.132 0.000) 4.132 16.360 ( -0.000 19.066 -0.000) 19.066 16.775 ( 0.000 -8.432 0.000) 8.432 16.788 ( 0.000 -4.623 0.000) 4.623 17.027 ( -0.000 1.076 -0.000) 1.076 17.596 ( -0.000 3.900 -0.000) 3.900 17.686 ( -0.000 13.831 -0.000) 13.831 18.109 ( -0.000 3.201 -0.000) 3.201 18.398 ( 0.000 -1.324 0.000) 1.324 18.452 ( 0.000 -3.393 0.000) 3.393 18.914 ( 0.000 -7.265 0.000) 7.265 ======================= Grid point 112 (92/160) ======================= q-point: (-0.37 -0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 7.464 -5.498 -10.871) 14.287 2.887 ( -1.201 -3.409 0.218) 3.621 3.046 ( 8.166 -6.406 -7.726) 12.939 3.211 ( -4.505 -10.185 -11.273) 15.846 3.579 ( -9.179 5.370 3.534) 11.206 3.713 ( -4.426 -5.528 6.291) 9.473 3.854 ( -2.564 1.880 -3.525) 4.747 4.212 ( -0.608 0.799 -3.621) 3.757 4.542 ( 4.506 1.074 -0.741) 4.691 4.591 ( 0.581 5.588 3.063) 6.399 4.764 ( 4.136 1.361 3.093) 5.340 4.939 ( 4.099 -6.949 -4.414) 9.196 5.522 ( 1.916 -6.075 1.826) 6.627 6.076 ( -20.677 -5.536 0.419) 21.409 6.350 ( -8.945 1.765 -2.977) 9.591 6.988 ( 2.252 22.889 7.366) 24.150 7.371 ( 5.193 18.347 -5.574) 19.865 7.672 ( 13.111 5.547 7.370) 16.031 9.354 ( 0.467 -11.178 -0.082) 11.188 10.271 ( 7.453 -17.001 -1.337) 18.611 10.597 ( -35.071 -3.411 -12.770) 37.479 11.387 ( 0.612 12.952 -3.436) 13.414 11.906 ( -6.728 4.064 8.165) 11.334 12.266 ( -16.641 8.752 3.583) 19.141 12.487 ( 17.756 -6.332 5.252) 19.569 13.824 ( 3.156 -14.267 -4.693) 15.347 13.897 ( 10.157 -1.196 -1.286) 10.307 14.151 ( -2.890 -11.038 4.171) 12.148 15.282 ( -8.959 1.745 0.603) 9.147 15.725 ( -2.549 8.003 0.581) 8.420 15.928 ( -3.739 8.639 0.641) 9.435 16.154 ( 4.656 4.885 -1.970) 7.031 16.205 ( 2.169 1.560 1.009) 2.856 16.324 ( 5.607 4.309 0.523) 7.090 16.525 ( 3.162 -5.031 -1.840) 6.220 17.111 ( -3.167 -6.578 2.165) 7.615 17.146 ( -3.769 -5.816 5.436) 8.808 17.555 ( 3.163 -13.161 0.190) 13.537 17.807 ( 0.558 -4.038 -5.784) 7.076 17.948 ( 0.611 -4.041 0.039) 4.087 18.401 ( 2.630 2.219 -3.038) 4.590 18.714 ( 1.011 7.628 4.777) 9.057 ======================= Grid point 113 (93/160) ======================= q-point: ( 0.13 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 14.288 13.976 6.245) 20.940 2.250 ( 14.852 17.596 11.652) 25.806 2.813 ( 0.133 0.035 -4.769) 4.771 3.274 ( -2.411 12.646 -6.078) 14.237 3.664 ( 11.587 2.137 0.128) 11.783 3.812 ( 2.386 4.911 -1.054) 5.560 3.864 ( 0.270 -1.294 -3.487) 3.729 4.071 ( 1.134 -1.891 6.078) 6.465 4.336 ( 7.019 -5.008 -0.457) 8.634 4.588 ( -0.573 9.318 1.051) 9.395 4.606 ( -4.350 3.084 2.073) 5.721 5.109 ( -5.359 3.669 2.008) 6.798 5.326 ( 6.999 4.388 7.798) 11.360 6.150 ( 11.801 -7.058 -0.058) 13.751 6.315 ( 12.349 -5.440 -6.006) 14.770 7.255 ( -10.692 -14.983 0.998) 18.434 7.280 ( -2.494 -17.370 1.530) 17.615 7.901 ( -15.387 -10.860 -0.693) 18.847 9.277 ( 1.291 21.338 2.920) 21.576 9.549 ( 34.641 6.383 13.940) 37.882 10.147 ( 12.988 22.591 4.601) 26.461 11.483 ( 7.477 -13.837 -8.811) 18.028 12.225 ( -3.772 -13.212 -1.240) 13.795 12.705 ( -1.695 -2.393 -5.231) 5.997 12.791 ( 3.355 -0.694 -4.551) 5.696 13.462 ( -8.057 4.385 7.625) 11.928 13.721 ( -4.960 6.418 2.105) 8.380 14.436 ( -5.321 11.978 -4.020) 13.709 15.299 ( 8.559 -2.158 0.864) 8.869 15.803 ( 1.272 -4.074 -1.896) 4.671 15.924 ( 3.953 -8.193 0.869) 9.138 16.073 ( -0.101 -7.379 0.430) 7.392 16.225 ( -7.183 -0.439 3.615) 8.054 16.265 ( -1.907 -0.960 -0.543) 2.203 16.538 ( -4.284 1.132 -2.992) 5.347 17.271 ( -0.334 -0.174 5.440) 5.453 17.400 ( -0.240 12.723 -4.921) 13.643 17.567 ( -4.903 9.736 1.719) 11.035 17.701 ( -4.612 5.561 -7.619) 10.499 17.943 ( -0.298 4.665 -4.745) 6.661 18.375 ( -2.025 -1.522 -1.417) 2.902 18.820 ( -3.448 -11.700 3.979) 12.831 ======================= Grid point 114 (94/160) ======================= q-point: (-0.37 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -0.000 -10.863 -18.154) 21.156 1.840 ( -0.000 -9.723 -28.636) 30.242 2.639 ( 0.000 2.139 3.418) 4.032 3.200 ( -0.000 17.118 0.183) 17.119 3.523 ( 0.000 -24.865 -17.176) 30.221 3.659 ( -0.000 12.114 -2.449) 12.359 3.970 ( 0.000 2.825 3.879) 4.799 4.151 ( 0.000 -11.852 3.732) 12.426 4.308 ( -0.000 -4.321 -11.633) 12.410 4.679 ( 0.000 -6.304 -5.349) 8.268 4.779 ( 0.000 -11.488 2.403) 11.736 4.862 ( -0.000 14.235 11.586) 18.354 5.127 ( -0.000 -2.559 -4.900) 5.528 5.896 ( 0.000 -2.762 4.753) 5.497 5.960 ( -0.000 -6.145 -10.051) 11.781 7.251 ( -0.000 31.896 6.067) 32.468 7.593 ( -0.000 18.380 0.683) 18.393 8.296 ( -0.000 -4.962 -19.874) 20.484 8.466 ( 0.000 0.293 4.453) 4.463 9.402 ( 0.000 -18.521 -7.160) 19.857 10.089 ( 0.000 -20.021 -11.718) 23.198 10.917 ( -0.000 5.091 -1.664) 5.357 12.115 ( -0.000 18.782 9.322) 20.968 12.137 ( -0.000 13.922 9.859) 17.060 13.147 ( 0.000 -18.527 -10.071) 21.087 13.679 ( 0.000 -3.169 7.985) 8.591 14.065 ( -0.000 0.999 -4.950) 5.050 14.493 ( 0.000 -16.353 7.463) 17.976 14.929 ( -0.000 4.854 0.732) 4.909 15.721 ( -0.000 8.523 2.115) 8.781 15.735 ( -0.000 14.190 0.161) 14.190 16.132 ( -0.000 7.692 -4.787) 9.060 16.341 ( 0.000 -19.245 0.527) 19.252 16.579 ( -0.000 3.733 -0.103) 3.734 16.934 ( -0.000 5.101 5.750) 7.687 17.016 ( 0.000 -1.974 0.243) 1.989 17.303 ( 0.000 -9.954 4.546) 10.943 17.732 ( 0.000 -9.278 1.727) 9.437 17.772 ( 0.000 -3.002 6.296) 6.975 17.873 ( 0.000 -9.291 -1.701) 9.446 18.476 ( -0.000 2.693 -0.837) 2.820 19.048 ( -0.000 6.430 4.980) 8.133 ======================= Grid point 117 (95/160) ======================= q-point: (-0.26 -0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -9.280 -2.433 -23.091) 25.004 1.755 ( -8.696 -8.059 -24.361) 27.093 2.722 ( -3.555 -0.990 1.153) 3.866 3.067 ( -7.868 -13.524 -28.057) 32.125 3.540 ( 5.302 13.028 -2.152) 14.230 3.783 ( 5.973 -2.946 4.883) 8.258 3.901 ( 2.370 -0.721 0.443) 2.516 4.075 ( -4.395 0.187 2.052) 4.854 4.158 ( 2.619 -5.232 -5.765) 8.214 4.374 ( -1.456 -13.445 -3.422) 13.949 4.769 ( -0.799 3.781 -1.163) 4.036 5.161 ( -3.311 4.967 0.271) 5.975 5.298 ( -7.241 12.995 0.370) 14.880 5.830 ( -2.322 -8.299 -7.774) 11.606 5.858 ( -4.988 -4.709 8.920) 11.253 7.741 ( 2.193 16.165 2.456) 16.497 7.842 ( 4.476 9.738 1.468) 10.817 8.405 ( -8.678 1.955 -10.930) 14.093 8.476 ( -7.286 -0.493 -5.433) 9.102 9.078 ( 1.240 -11.413 -9.674) 15.012 9.765 ( -1.069 -12.217 -11.444) 16.774 11.114 ( -11.429 3.644 2.938) 12.351 12.396 ( -1.443 9.127 8.406) 12.492 12.473 ( -1.795 13.054 4.721) 13.997 12.815 ( 1.550 -10.589 -5.872) 12.207 13.560 ( 4.716 -4.267 9.733) 11.627 14.061 ( 3.391 0.950 -5.353) 6.408 14.154 ( 0.986 -13.479 8.223) 15.820 15.131 ( -4.295 9.076 0.865) 10.078 15.873 ( 0.752 4.432 1.127) 4.634 15.963 ( -1.496 5.388 -0.242) 5.598 15.976 ( -1.981 -13.801 0.976) 13.977 16.283 ( 0.711 8.062 -3.314) 8.746 16.661 ( 0.356 4.538 0.931) 4.646 16.724 ( 10.080 -5.024 2.969) 11.648 16.977 ( 0.075 -9.515 3.949) 10.303 17.342 ( -5.793 6.591 -0.346) 8.781 17.547 ( 1.282 -6.226 2.583) 6.862 17.648 ( 4.805 -5.504 5.948) 9.421 17.718 ( -1.138 -6.894 -2.114) 7.301 18.488 ( 2.363 1.049 -0.145) 2.590 19.138 ( 2.858 5.060 6.437) 8.672 ======================= Grid point 118 (96/160) ======================= q-point: ( 0.24 -0.58 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -8.543 12.933 -0.809) 15.521 2.730 ( -3.676 0.075 2.400) 4.391 2.913 ( -6.926 12.697 -3.589) 14.902 3.405 ( 3.567 5.937 9.091) 11.429 3.769 ( 0.476 -0.923 4.651) 4.765 3.816 ( -0.215 -2.221 5.767) 6.184 3.946 ( -2.938 -3.059 -1.439) 4.479 4.037 ( 0.449 3.404 1.537) 3.762 4.325 ( -4.056 -6.188 -1.655) 7.582 4.494 ( 4.920 -5.218 0.804) 7.216 4.922 ( -3.551 20.230 -12.594) 24.093 5.298 ( 0.340 14.078 3.739) 14.570 5.565 ( -1.496 11.007 -4.981) 12.174 6.126 ( -6.598 -10.083 -1.236) 12.113 6.397 ( -5.664 -9.136 1.831) 10.904 6.677 ( 3.497 -27.104 1.971) 27.400 7.028 ( -11.981 -8.998 -1.365) 15.046 7.375 ( 23.019 -4.276 -1.655) 23.471 9.757 ( 0.580 23.430 -2.745) 23.597 10.173 ( -19.051 3.296 -12.650) 23.105 10.807 ( -4.947 15.284 7.051) 17.544 11.325 ( -8.192 -13.258 9.080) 18.037 11.917 ( -6.177 -10.864 -2.535) 12.752 12.344 ( 24.154 -4.486 0.527) 24.573 12.962 ( -13.008 -0.875 3.662) 13.542 13.264 ( 12.179 -2.100 -4.894) 13.293 14.042 ( -5.876 17.028 -2.243) 18.152 14.501 ( 5.512 3.376 1.495) 6.635 15.451 ( -4.134 3.993 -0.951) 5.826 15.758 ( -0.935 -4.123 -2.160) 4.748 15.826 ( -2.414 -4.917 2.320) 5.948 15.928 ( 0.057 -4.489 0.348) 4.503 16.038 ( 4.434 -7.165 0.208) 8.428 16.068 ( 2.209 -7.227 -2.136) 7.853 16.712 ( 0.400 14.010 1.607) 14.108 17.192 ( 0.818 -6.863 -0.745) 6.951 17.609 ( 0.769 8.058 1.625) 8.257 17.666 ( 2.009 6.152 -2.155) 6.821 17.794 ( 1.313 8.512 2.627) 9.004 17.992 ( 1.212 1.838 2.122) 3.057 18.327 ( 0.464 -0.868 1.472) 1.770 18.512 ( 1.931 -11.884 -1.810) 12.175 ======================= Grid point 120 (97/160) ======================= q-point: ( 0.24 -0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -19.607 27.855 -0.000) 34.064 1.772 ( -5.724 27.436 -0.000) 28.026 2.809 ( -6.701 2.798 -0.000) 7.261 3.410 ( -2.189 2.331 -0.000) 3.197 3.643 ( -0.460 -15.658 0.000) 15.665 3.696 ( -3.976 27.046 -0.000) 27.336 3.858 ( -9.093 9.658 -0.000) 13.265 3.920 ( 1.945 -1.340 0.000) 2.362 4.333 ( 0.674 0.383 -0.000) 0.775 4.498 ( 3.237 6.952 -0.000) 7.669 4.743 ( -5.460 0.658 -0.000) 5.499 5.044 ( 10.892 0.050 0.000) 10.892 5.534 ( -10.445 -8.057 0.000) 13.191 5.705 ( -9.905 -5.960 0.000) 11.560 5.898 ( 5.410 29.164 -0.000) 29.661 6.850 ( 0.887 -28.822 0.000) 28.836 7.011 ( 2.912 -21.189 0.000) 21.388 8.208 ( -22.221 17.912 -0.000) 28.541 8.364 ( 8.459 -1.127 0.000) 8.534 9.703 ( 0.063 31.239 -0.000) 31.239 10.214 ( -3.431 25.184 -0.000) 25.417 10.866 ( -12.966 -14.560 0.000) 19.496 12.037 ( 1.831 -21.329 0.000) 21.407 12.234 ( -4.749 -16.555 0.000) 17.223 13.251 ( 0.681 22.285 -0.000) 22.295 13.624 ( 4.422 -0.542 0.000) 4.455 14.050 ( 4.412 2.753 -0.000) 5.200 14.812 ( 2.470 2.577 -0.000) 3.569 14.972 ( -5.057 3.907 -0.000) 6.391 15.455 ( -4.034 -16.479 0.000) 16.966 15.633 ( -3.330 -8.000 0.000) 8.665 15.866 ( -0.806 -0.703 0.000) 1.069 16.518 ( 7.458 -3.461 0.000) 8.222 16.591 ( 10.883 -1.799 0.000) 11.030 16.749 ( -1.939 10.784 -0.000) 10.956 17.084 ( -3.885 -1.929 0.000) 4.338 17.610 ( 0.149 -3.616 0.000) 3.619 17.924 ( 2.328 10.705 -0.000) 10.955 18.072 ( 2.639 -2.152 0.000) 3.405 18.363 ( 0.024 -5.252 0.000) 5.252 18.440 ( 0.624 4.736 -0.000) 4.777 18.660 ( 8.472 -7.441 0.000) 11.276 ======================= Grid point 121 (98/160) ======================= q-point: (-0.26 0.42 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 14.298 -6.607 -5.103) 16.557 2.344 ( 20.218 -13.084 0.428) 24.086 2.989 ( -4.853 -6.561 -8.927) 12.095 3.094 ( -1.886 -3.863 -10.850) 11.671 3.698 ( 0.690 -1.449 6.988) 7.170 3.850 ( -0.492 7.340 4.367) 8.555 4.000 ( -7.529 1.453 -3.736) 8.529 4.167 ( 2.488 -1.469 -4.073) 4.994 4.328 ( 8.809 -10.227 -3.189) 13.870 4.542 ( -0.884 -3.852 -0.522) 3.987 4.811 ( 1.405 11.736 4.159) 12.530 4.921 ( 8.284 7.532 1.201) 11.260 5.303 ( 4.989 -8.865 5.432) 11.532 6.446 ( -24.101 -1.214 -0.425) 24.135 6.601 ( -11.222 2.323 -7.456) 13.672 7.152 ( 11.677 6.529 2.870) 13.682 7.230 ( 10.498 2.412 5.610) 12.145 8.029 ( -4.177 17.607 1.453) 18.154 9.052 ( 5.273 -9.808 -1.392) 11.222 9.830 ( 8.174 -10.318 0.430) 13.170 10.936 ( 13.752 -2.220 -11.540) 18.089 11.556 ( -14.442 1.389 8.729) 16.932 11.949 ( -4.574 -1.458 -6.913) 8.416 12.331 ( -5.400 3.031 10.320) 12.036 12.804 ( -14.544 9.299 3.740) 17.663 13.400 ( 3.473 -14.420 -0.658) 14.847 13.765 ( 10.141 5.483 -2.417) 11.779 14.022 ( -4.223 -9.810 -0.848) 10.714 15.438 ( -2.624 1.911 0.217) 3.253 15.924 ( -1.551 6.259 -0.828) 6.502 16.056 ( -0.497 1.230 0.771) 1.535 16.119 ( 1.531 -5.285 2.053) 5.873 16.222 ( 1.795 6.750 -0.019) 6.985 16.378 ( -4.817 3.403 -1.543) 6.097 16.546 ( 5.543 13.026 -0.664) 14.172 16.968 ( -2.808 -11.580 1.160) 11.972 17.111 ( -2.172 -3.718 4.761) 6.420 17.191 ( 2.547 -16.152 0.035) 16.352 17.771 ( 0.100 0.630 -6.301) 6.333 17.900 ( -2.375 -2.822 -1.609) 4.024 18.391 ( 1.196 0.608 -2.971) 3.260 18.884 ( -1.498 6.983 6.012) 9.335 ======================= Grid point 123 (99/160) ======================= q-point: ( 0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -5.553 24.816 -0.000) 25.430 2.471 ( -16.681 14.351 -0.000) 22.004 3.075 ( -2.316 13.058 -0.000) 13.262 3.335 ( -2.539 -16.350 0.000) 16.546 3.410 ( -11.945 -6.405 0.000) 13.554 3.874 ( 0.900 -1.846 0.000) 2.053 3.987 ( -8.437 -0.019 -0.000) 8.437 4.124 ( 2.910 -1.340 0.000) 3.204 4.362 ( 2.236 5.629 -0.000) 6.057 4.796 ( -0.079 -4.872 0.000) 4.873 4.852 ( 2.184 -5.200 0.000) 5.640 5.055 ( -0.536 41.071 -0.000) 41.074 5.483 ( -6.420 -12.707 0.000) 14.236 5.847 ( -13.834 0.178 -0.000) 13.835 6.354 ( 0.210 -15.083 0.000) 15.084 6.360 ( 2.774 18.301 -0.000) 18.510 6.557 ( 4.336 -9.477 0.000) 10.422 8.084 ( 15.686 -3.703 0.000) 16.117 9.032 ( -27.893 12.234 -0.000) 30.458 10.293 ( 4.158 28.149 -0.000) 28.455 10.641 ( -13.142 -6.497 0.000) 14.660 11.020 ( -12.078 13.996 -0.000) 18.487 11.541 ( 1.540 -22.266 0.000) 22.319 12.076 ( -13.930 -14.549 0.000) 20.143 13.154 ( 18.504 -4.903 0.000) 19.143 13.856 ( 4.044 13.259 -0.000) 13.862 14.033 ( -1.463 4.735 -0.000) 4.956 14.690 ( 4.800 -8.526 0.000) 9.785 15.278 ( -8.556 -11.798 0.000) 14.574 15.279 ( -8.703 12.010 -0.000) 14.832 15.561 ( -5.036 -6.107 0.000) 7.915 15.920 ( 1.089 5.870 -0.000) 5.970 16.277 ( 10.054 -1.919 0.000) 10.236 16.358 ( 11.334 0.640 0.000) 11.352 16.972 ( -0.721 7.882 -0.000) 7.915 17.035 ( -1.733 -8.919 0.000) 9.086 17.462 ( -1.927 -10.709 0.000) 10.881 17.974 ( 4.490 -0.629 0.000) 4.534 17.991 ( 1.580 -1.695 0.000) 2.317 18.266 ( 0.083 -6.219 0.000) 6.219 18.363 ( 9.759 -0.016 0.000) 9.759 18.508 ( 2.401 4.224 -0.000) 4.859 ======================= Grid point 124 (100/160) ======================= q-point: (-0.14 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 20.131 0.000 4.454) 20.618 1.854 ( 20.862 -0.000 -1.056) 20.889 3.057 ( -11.125 -0.000 -5.351) 12.345 3.065 ( 2.334 -0.000 -11.342) 11.579 3.447 ( 25.184 0.000 6.818) 26.091 3.908 ( -1.569 0.000 9.671) 9.797 4.066 ( 6.557 -0.000 -11.928) 13.611 4.111 ( -2.674 -0.000 -1.436) 3.035 4.149 ( -4.656 -0.000 -9.178) 10.291 4.632 ( -7.498 0.000 7.436) 10.560 4.791 ( 10.659 -0.000 -2.816) 11.025 4.997 ( 5.271 0.000 11.590) 12.732 5.013 ( 3.846 0.000 5.217) 6.481 6.707 ( 6.517 -0.000 -10.635) 12.473 6.833 ( -4.205 -0.000 -8.861) 9.809 7.027 ( -8.472 0.000 4.784) 9.730 7.229 ( -5.719 0.000 12.269) 13.537 8.302 ( -4.837 -0.000 0.062) 4.837 8.836 ( 5.637 -0.000 -0.548) 5.663 9.575 ( 7.563 0.000 2.268) 7.896 10.214 ( 46.716 0.000 3.089) 46.818 11.970 ( -20.205 0.000 0.921) 20.226 12.019 ( -0.754 -0.000 -10.023) 10.051 12.514 ( -8.553 0.000 9.968) 13.135 13.206 ( -13.755 0.000 3.022) 14.083 13.220 ( -4.547 -0.000 -1.221) 4.708 13.652 ( 12.175 -0.000 -5.079) 13.192 13.979 ( -6.320 -0.000 -1.701) 6.545 15.472 ( 0.923 -0.000 -0.549) 1.074 15.944 ( 4.895 0.000 1.746) 5.197 16.046 ( 0.310 0.000 1.235) 1.273 16.055 ( 0.752 0.000 0.815) 1.109 16.335 ( -1.128 -0.000 -0.030) 1.129 16.420 ( 5.417 -0.000 -1.780) 5.702 16.809 ( -3.482 -0.000 -1.594) 3.830 16.873 ( -8.724 0.000 1.530) 8.857 16.893 ( 0.118 -0.000 -0.413) 0.429 17.114 ( -3.184 0.000 4.107) 5.197 17.784 ( -0.316 -0.000 -4.353) 4.365 17.916 ( -2.291 -0.000 -5.761) 6.200 18.391 ( -0.631 -0.000 -1.864) 1.968 18.986 ( -0.470 0.000 6.659) 6.676 ======================= Grid point 126 (101/160) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -5.620 -0.000 -21.314) 22.042 1.769 ( -9.003 -0.000 -22.042) 23.809 2.747 ( -2.286 -0.000 -2.326) 3.261 3.273 ( -19.549 -0.000 -24.643) 31.455 3.380 ( 15.380 0.000 8.737) 17.689 3.713 ( -1.582 0.000 0.451) 1.645 3.815 ( 3.734 -0.000 -8.134) 8.950 4.110 ( -1.507 0.000 1.788) 2.339 4.129 ( 0.837 -0.000 -0.734) 1.114 4.315 ( -5.958 0.000 0.207) 5.962 4.883 ( -3.014 -0.000 -1.568) 3.398 5.236 ( -2.669 -0.000 -5.094) 5.751 5.506 ( 9.267 -0.000 -4.578) 10.337 5.875 ( -18.802 0.000 2.606) 18.982 5.973 ( -10.813 0.000 12.244) 16.335 7.790 ( 11.898 0.000 1.590) 12.004 7.798 ( 7.199 -0.000 -0.399) 7.210 8.381 ( 5.730 0.000 7.066) 9.098 8.918 ( 2.398 -0.000 -8.472) 8.805 9.006 ( -38.605 -0.000 -22.722) 44.796 9.655 ( -1.033 -0.000 -9.703) 9.757 11.429 ( -14.949 0.000 5.542) 15.944 12.507 ( 7.626 -0.000 -5.527) 9.418 12.555 ( -4.103 0.000 9.106) 9.988 12.799 ( -5.084 0.000 8.171) 9.623 13.365 ( 8.184 0.000 7.895) 11.371 13.960 ( 1.727 0.000 7.673) 7.865 14.000 ( 6.411 -0.000 -7.299) 9.715 15.329 ( -4.053 0.000 0.816) 4.135 15.840 ( -5.461 -0.000 0.089) 5.462 15.970 ( -1.112 0.000 1.193) 1.631 16.033 ( -1.194 -0.000 -0.394) 1.257 16.407 ( 2.068 0.000 0.353) 2.098 16.462 ( 5.468 -0.000 -2.121) 5.865 16.771 ( -2.405 0.000 1.584) 2.879 16.791 ( 3.109 0.000 0.289) 3.122 17.409 ( 11.800 0.000 3.302) 12.253 17.428 ( 3.627 0.000 4.690) 5.929 17.605 ( -7.164 0.000 0.539) 7.184 17.610 ( 0.442 -0.000 -2.630) 2.667 18.441 ( 3.446 0.000 0.750) 3.526 19.149 ( 1.655 0.000 4.290) 4.598 ======================= Grid point 127 (102/160) ======================= q-point: (-0.64 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 5.126 -9.563 1.571) 10.963 2.655 ( -1.601 6.254 3.210) 7.210 3.223 ( 6.403 -14.816 -0.839) 16.162 3.290 ( -0.202 13.196 1.634) 13.299 3.728 ( 4.188 1.943 4.316) 6.319 3.786 ( -2.654 0.297 5.866) 6.445 3.979 ( 4.994 -2.141 1.937) 5.768 4.066 ( -3.492 4.080 1.501) 5.577 4.290 ( 3.278 -5.593 0.549) 6.506 4.394 ( -6.901 2.789 0.782) 7.484 5.288 ( 4.667 7.617 -6.967) 11.329 5.360 ( -3.066 -12.516 -7.218) 14.770 5.830 ( 9.905 15.404 -1.536) 18.378 6.005 ( -7.727 -17.464 1.844) 19.186 6.237 ( 2.096 1.718 1.268) 2.992 6.283 ( -1.588 1.398 2.287) 3.115 6.905 ( 21.147 2.985 -1.748) 21.428 7.347 ( -24.144 -0.057 -1.727) 24.206 10.075 ( 11.085 12.315 -9.111) 18.909 10.213 ( -4.237 -19.960 -5.009) 21.011 11.034 ( 9.222 14.131 11.215) 20.260 11.113 ( -0.290 -11.084 8.907) 14.222 11.778 ( 21.181 -0.153 -3.866) 21.531 12.262 ( -25.866 3.128 -1.999) 26.131 12.899 ( 20.346 5.401 -1.237) 21.087 13.296 ( -20.038 -4.911 -0.105) 20.631 14.308 ( 8.175 -5.257 -0.256) 9.723 14.462 ( -8.085 4.729 -0.412) 9.376 15.585 ( 3.532 0.334 -1.043) 3.698 15.587 ( 3.224 -0.439 -1.121) 3.441 15.817 ( 7.597 2.790 -0.361) 8.101 15.882 ( 1.705 -0.655 0.422) 1.874 15.958 ( -6.074 0.754 -0.329) 6.129 15.978 ( -8.774 -2.534 -0.343) 9.139 16.981 ( 0.617 -11.672 0.724) 11.711 16.995 ( -0.793 12.238 1.369) 12.340 17.665 ( 3.960 2.402 -1.534) 4.879 17.745 ( -4.274 -1.319 0.398) 4.491 17.931 ( 1.251 0.496 0.755) 1.543 17.987 ( -4.553 -0.692 -0.277) 4.614 18.296 ( 3.852 1.766 1.695) 4.564 18.388 ( -5.871 -1.524 0.312) 6.073 ======================= Grid point 130 (103/160) ======================= q-point: (-0.52 0.19 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 11.066 -15.937 -3.944) 19.799 2.564 ( 13.686 -12.725 -6.349) 19.737 2.831 ( 2.010 -3.471 3.626) 5.407 3.405 ( 5.520 3.476 9.795) 11.769 3.712 ( 5.328 4.856 2.899) 7.771 3.780 ( 1.664 -3.866 5.511) 6.935 3.918 ( -0.350 -1.088 -0.166) 1.155 4.081 ( -3.466 -6.154 -1.309) 7.184 4.244 ( 4.187 4.683 -2.170) 6.646 4.605 ( -5.893 3.901 0.893) 7.124 4.859 ( 2.666 -20.558 -12.721) 24.322 5.252 ( 5.187 -4.030 -0.214) 6.572 5.546 ( 1.206 -18.025 0.330) 18.068 6.004 ( 5.269 5.581 -4.501) 8.898 6.213 ( 11.515 3.809 0.378) 12.134 6.716 ( 0.474 30.958 3.213) 31.128 6.946 ( -2.602 17.285 -0.306) 17.483 7.802 ( -21.147 1.254 -0.795) 21.199 9.669 ( 30.278 -7.562 -9.282) 32.559 9.772 ( 2.460 -23.236 -5.604) 24.029 10.633 ( 10.602 -24.007 -2.759) 26.388 11.162 ( 7.794 16.988 9.733) 21.073 11.877 ( 0.053 19.374 1.825) 19.460 12.526 ( 14.788 9.106 5.803) 18.311 12.885 ( -17.524 -2.472 0.406) 17.703 13.545 ( -13.135 -4.102 -5.525) 14.829 13.936 ( 4.445 -13.175 -2.435) 14.116 14.615 ( -6.071 -4.589 1.988) 7.866 15.315 ( 9.393 -4.182 -0.957) 10.326 15.699 ( 5.300 10.617 -1.613) 11.975 15.751 ( 4.302 3.654 3.123) 6.451 15.929 ( 0.302 6.077 -0.628) 6.116 16.151 ( -8.232 3.954 -0.821) 9.169 16.199 ( -9.724 3.977 -1.216) 10.576 16.724 ( -0.776 -12.901 1.437) 13.004 17.196 ( 0.488 6.559 -0.124) 6.578 17.593 ( 0.886 -4.929 1.318) 5.178 17.748 ( -4.914 -7.288 -0.341) 8.796 17.834 ( -2.632 -6.818 3.381) 8.053 18.032 ( -2.763 -3.912 3.554) 5.964 18.327 ( -0.039 3.567 1.810) 4.000 18.597 ( -6.560 8.763 -3.242) 11.416 ======================= Grid point 132 (104/160) ======================= q-point: ( 0.48 -0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 3.300 -1.613 0.000) 3.673 2.938 ( 0.171 17.735 -0.000) 17.736 3.054 ( 2.266 -11.939 0.000) 12.152 3.392 ( -8.584 6.116 -0.000) 10.540 3.608 ( -11.919 -3.534 0.000) 12.432 3.799 ( -4.244 -7.702 0.000) 8.794 3.936 ( -0.297 -7.329 0.000) 7.335 4.176 ( -2.047 8.267 -0.000) 8.516 4.447 ( 1.017 1.400 -0.000) 1.730 4.613 ( 5.787 -3.349 0.000) 6.686 4.672 ( 4.339 -4.690 0.000) 6.389 5.257 ( -2.202 -17.372 0.000) 17.511 5.539 ( 2.628 5.952 -0.000) 6.507 6.251 ( -6.987 -6.113 0.000) 9.283 6.308 ( -5.732 3.700 -0.000) 6.822 6.383 ( -14.423 19.180 -0.000) 23.997 6.876 ( 5.751 30.100 -0.000) 30.644 7.652 ( 19.496 -4.646 0.000) 20.042 9.516 ( -9.618 -4.851 0.000) 10.772 10.490 ( 12.336 1.249 0.000) 12.400 10.836 ( -31.954 -7.788 0.000) 32.889 11.245 ( 0.204 -1.269 0.000) 1.286 11.611 ( -9.456 18.512 -0.000) 20.787 12.210 ( -23.571 -7.181 0.000) 24.641 12.591 ( 24.938 -7.706 0.000) 26.102 13.795 ( 14.404 6.315 -0.000) 15.728 14.242 ( -8.616 -2.381 0.000) 8.939 14.293 ( 7.382 -18.035 0.000) 19.487 15.298 ( -9.550 -4.171 0.000) 10.421 15.601 ( -3.892 2.254 -0.000) 4.498 15.699 ( -6.584 12.055 -0.000) 13.736 16.033 ( 3.362 8.984 -0.000) 9.592 16.105 ( 8.051 2.803 -0.000) 8.525 16.226 ( 7.334 4.303 -0.000) 8.503 16.791 ( 1.061 -14.410 0.000) 14.449 17.100 ( -1.757 2.222 -0.000) 2.833 17.311 ( -6.115 -10.944 0.000) 12.537 17.786 ( 3.361 -8.817 0.000) 9.435 17.940 ( -0.642 -2.275 0.000) 2.364 18.033 ( 5.975 -5.574 0.000) 8.171 18.362 ( 2.095 4.498 -0.000) 4.962 18.541 ( 2.624 4.929 -0.000) 5.584 ======================= Grid point 134 (105/160) ======================= q-point: (-0.52 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 -7.593 -6.276) 9.851 2.535 ( -0.000 -0.459 -24.613) 24.617 2.622 ( 0.000 -4.460 -4.253) 6.163 2.816 ( -0.000 16.214 -4.532) 16.835 3.360 ( -0.000 18.194 -0.046) 18.194 3.871 ( 0.000 0.886 2.833) 2.968 4.020 ( 0.000 -5.805 -5.779) 8.191 4.344 ( 0.000 9.823 13.061) 16.343 4.384 ( 0.000 -9.999 0.400) 10.007 4.677 ( -0.000 -3.566 -15.505) 15.910 4.699 ( 0.000 -7.342 9.385) 11.915 5.081 ( 0.000 -7.020 -1.912) 7.275 5.522 ( 0.000 -18.661 -13.282) 22.905 5.823 ( 0.000 -2.066 8.028) 8.290 6.219 ( -0.000 1.502 0.294) 1.530 6.355 ( -0.000 28.584 7.120) 29.458 7.132 ( -0.000 24.721 0.642) 24.729 8.422 ( 0.000 -4.091 5.036) 6.488 8.575 ( -0.000 5.776 -7.828) 9.729 9.874 ( 0.000 -16.262 -5.538) 17.179 10.733 ( 0.000 -18.761 -10.833) 21.664 10.892 ( -0.000 10.319 -5.604) 11.742 11.530 ( -0.000 17.679 9.600) 20.118 11.701 ( 0.000 4.963 8.215) 9.598 13.626 ( 0.000 -4.357 5.707) 7.180 13.644 ( 0.000 -10.767 -6.302) 12.476 14.119 ( -0.000 1.485 -3.197) 3.525 14.681 ( 0.000 -13.746 5.912) 14.964 14.906 ( 0.000 -4.394 0.653) 4.442 15.402 ( -0.000 16.891 0.130) 16.891 15.509 ( -0.000 5.632 2.823) 6.300 16.054 ( -0.000 8.643 -4.406) 9.701 16.574 ( -0.000 0.542 -1.064) 1.194 16.694 ( 0.000 -15.414 0.315) 15.417 16.697 ( -0.000 5.443 4.169) 6.856 17.036 ( -0.000 0.873 -0.093) 0.878 17.358 ( 0.000 -10.224 8.836) 13.513 17.788 ( 0.000 -4.458 -1.764) 4.794 17.940 ( 0.000 -8.863 -1.168) 8.940 18.087 ( 0.000 -7.383 -2.187) 7.700 18.433 ( -0.000 4.720 -2.767) 5.471 18.855 ( 0.000 2.845 5.161) 5.894 ======================= Grid point 135 (106/160) ======================= q-point: (-0.40 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 15.342 -6.027 0.000) 16.483 2.590 ( 14.364 -15.706 0.000) 21.284 3.182 ( 2.481 6.340 -0.000) 6.808 3.406 ( -3.747 -14.486 0.000) 14.963 3.683 ( -8.507 -4.664 0.000) 9.701 3.746 ( -1.839 -6.265 0.000) 6.530 3.984 ( -8.396 3.148 -0.000) 8.967 4.283 ( 3.603 -4.875 0.000) 6.062 4.433 ( 10.519 0.079 0.000) 10.519 4.447 ( -1.114 12.911 -0.000) 12.959 4.680 ( 2.849 5.488 -0.000) 6.184 4.895 ( 3.622 -14.730 0.000) 15.169 5.405 ( 6.439 -6.384 0.000) 9.067 6.450 ( -14.412 2.802 -0.000) 14.682 6.601 ( -10.378 7.742 -0.000) 12.947 6.841 ( 0.363 11.612 -0.000) 11.618 7.222 ( 17.012 -1.927 0.000) 17.121 7.513 ( -4.988 30.030 -0.000) 30.441 9.319 ( 2.682 -14.883 0.000) 15.123 10.073 ( 12.362 -12.711 0.000) 17.731 11.110 ( 24.700 -1.629 0.000) 24.753 11.451 ( -34.845 0.147 -0.000) 34.846 12.073 ( -14.592 4.926 -0.000) 15.401 12.103 ( 13.113 2.358 -0.000) 13.323 12.613 ( -20.468 3.093 -0.000) 20.700 13.650 ( 15.553 7.991 -0.000) 17.486 13.752 ( 7.022 -18.931 0.000) 20.192 14.246 ( -7.843 -10.714 0.000) 13.278 15.399 ( -3.332 0.552 -0.000) 3.377 15.772 ( -3.000 7.436 -0.000) 8.018 15.966 ( -1.272 6.902 -0.000) 7.018 16.095 ( 2.516 5.289 -0.000) 5.857 16.179 ( 3.049 3.912 -0.000) 4.960 16.225 ( 1.708 9.400 -0.000) 9.554 16.503 ( 0.819 -8.887 0.000) 8.925 17.112 ( -0.960 -3.823 0.000) 3.942 17.227 ( -7.755 -11.193 0.000) 13.617 17.502 ( 2.086 -13.768 0.000) 13.925 17.877 ( 2.056 -2.159 0.000) 2.981 17.939 ( -3.698 -1.629 0.000) 4.041 18.399 ( 1.356 2.189 -0.000) 2.575 18.652 ( 0.323 8.697 -0.000) 8.703 ======================= Grid point 137 (107/160) ======================= q-point: (-0.40 -0.26 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 434 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -14.540 -6.948 -16.196) 22.847 2.396 ( -1.075 -7.179 -21.937) 23.106 2.696 ( -9.133 -1.081 -3.322) 9.778 3.249 ( 1.365 21.126 -5.810) 21.953 3.672 ( 1.387 5.126 3.505) 6.363 3.762 ( 3.631 -8.239 -11.056) 14.258 3.846 ( 5.737 -6.791 5.434) 10.419 4.075 ( -4.225 -4.192 2.542) 6.472 4.490 ( 0.972 -5.173 -9.391) 10.766 4.666 ( 0.057 5.154 5.039) 7.208 4.797 ( -5.189 9.872 2.211) 11.370 4.876 ( 1.408 -13.836 -10.358) 17.341 5.303 ( -7.021 -4.841 -5.838) 10.335 5.780 ( -2.323 -4.111 8.966) 10.133 6.099 ( -1.529 -6.031 -3.348) 7.066 7.126 ( -0.582 33.519 7.127) 34.274 7.531 ( 3.870 17.802 0.917) 18.241 8.270 ( 7.813 -1.705 6.833) 10.519 8.854 ( -19.776 1.750 -13.979) 24.280 9.542 ( -1.436 -16.947 -7.929) 18.765 10.313 ( 0.159 -20.016 -10.090) 22.416 11.061 ( -6.711 3.438 -5.340) 9.240 11.952 ( -2.660 14.221 11.120) 18.247 11.975 ( -3.498 19.517 8.535) 21.587 13.208 ( 11.337 -13.106 -1.348) 17.381 13.591 ( -5.212 -10.640 0.135) 11.849 14.122 ( 3.549 2.041 -4.009) 5.730 14.325 ( 1.552 -17.820 7.944) 19.572 14.967 ( -5.690 4.274 0.979) 7.183 15.682 ( -0.783 9.004 2.109) 9.280 15.766 ( -3.386 13.517 0.141) 13.935 16.216 ( 1.293 7.133 -4.767) 8.676 16.313 ( 1.812 -16.566 0.415) 16.670 16.582 ( 2.003 2.107 -1.451) 3.249 16.688 ( 9.004 1.477 4.270) 10.074 17.059 ( -3.300 -4.849 3.328) 6.744 17.199 ( -1.649 -2.716 7.906) 8.521 17.676 ( 1.479 -7.936 2.425) 8.429 17.721 ( -0.668 -9.223 -1.245) 9.330 17.936 ( 0.542 -6.805 -4.043) 7.934 18.475 ( 2.776 2.293 -2.089) 4.163 18.906 ( 2.309 4.673 6.543) 8.366 ======================= Grid point 141 (108/160) ======================= q-point: ( 0.22 0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 3.193 12.176 3.373) 13.031 2.687 ( 0.763 -2.093 -0.180) 2.234 3.029 ( 6.327 8.846 5.898) 12.372 3.264 ( -3.126 11.922 -3.889) 12.924 3.702 ( 1.582 0.590 -2.072) 2.673 3.751 ( 2.052 -1.922 -0.779) 2.917 3.971 ( 3.068 -2.626 1.390) 4.271 4.026 ( -2.980 -3.240 -0.379) 4.418 4.358 ( 2.751 -4.521 1.942) 5.637 4.469 ( -4.665 -6.047 -1.194) 7.730 5.130 ( 1.598 21.006 6.844) 22.151 5.183 ( -0.054 15.018 -6.349) 16.305 5.629 ( 0.946 7.289 1.031) 7.422 6.162 ( 2.971 -7.541 2.397) 8.452 6.368 ( 5.951 -7.803 -0.866) 9.852 6.658 ( -3.903 -28.614 0.282) 28.880 7.017 ( 15.087 -9.532 -2.628) 18.039 7.394 ( -21.536 -3.905 0.017) 21.887 9.780 ( 0.926 23.201 -0.788) 23.233 10.449 ( 16.050 4.815 15.771) 23.011 10.640 ( -5.137 8.360 -10.052) 14.047 11.229 ( 9.960 -11.853 -0.224) 15.483 11.944 ( 10.518 -9.704 0.028) 14.311 12.310 ( -21.451 -2.732 -3.009) 21.833 12.881 ( 16.507 1.439 -4.702) 17.223 13.354 ( -15.500 -4.567 4.306) 16.723 14.086 ( 3.193 16.788 2.156) 17.224 14.468 ( -3.314 4.036 -1.858) 5.543 15.461 ( 3.998 3.955 0.015) 5.624 15.767 ( 3.172 1.375 -1.536) 3.783 15.807 ( 2.413 -10.436 0.455) 10.721 15.929 ( -0.471 -4.411 0.525) 4.467 16.029 ( -4.816 -7.115 -0.548) 8.609 16.100 ( -3.282 -7.240 0.999) 8.011 16.694 ( -0.480 14.520 0.006) 14.528 17.192 ( 0.371 -8.687 -0.734) 8.726 17.580 ( 1.146 9.040 -1.366) 9.214 17.700 ( -2.061 5.173 0.390) 5.582 17.760 ( -1.006 10.922 -0.065) 10.968 17.970 ( -1.025 3.214 0.224) 3.381 18.305 ( 0.584 -1.416 -0.626) 1.654 18.534 ( -3.021 -12.598 0.380) 12.961 ======================= Grid point 144 (109/160) ======================= q-point: (-0.28 0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 19.052 -18.076 0.000) 26.263 1.936 ( 22.169 -6.304 0.000) 23.048 3.157 ( 7.750 -1.509 0.000) 7.896 3.239 ( -9.546 -11.095 0.000) 14.637 3.460 ( 22.162 0.565 0.000) 22.169 3.747 ( -6.838 -1.993 0.000) 7.123 4.166 ( 5.121 -1.097 0.000) 5.237 4.254 ( -10.364 3.772 -0.000) 11.029 4.293 ( 0.269 -5.754 0.000) 5.760 4.542 ( 0.193 -6.115 0.000) 6.118 4.678 ( 2.244 10.401 -0.000) 10.640 4.746 ( 9.644 6.454 -0.000) 11.604 5.113 ( 7.482 -8.434 0.000) 11.274 6.730 ( 7.814 10.722 -0.000) 13.267 6.881 ( 7.368 7.959 -0.000) 10.845 7.001 ( -15.904 -3.175 0.000) 16.218 7.046 ( -9.051 -0.053 -0.000) 9.051 8.122 ( -6.058 17.246 -0.000) 18.279 8.955 ( 5.762 -10.886 0.000) 12.317 9.629 ( 11.707 -6.942 0.000) 13.610 10.273 ( 45.028 -8.755 0.000) 45.871 11.999 ( -21.991 -2.202 -0.000) 22.101 12.100 ( 3.715 6.670 -0.000) 7.635 12.369 ( -13.185 -1.312 -0.000) 13.250 13.043 ( -14.266 6.629 -0.000) 15.731 13.396 ( -4.043 -10.535 0.000) 11.284 13.558 ( 13.992 10.891 -0.000) 17.731 14.155 ( -7.274 -11.575 0.000) 13.671 15.438 ( 2.360 3.074 -0.000) 3.876 15.965 ( -1.073 6.000 -0.000) 6.095 15.999 ( 6.027 -6.214 0.000) 8.656 16.052 ( -0.048 0.779 -0.000) 0.780 16.217 ( -1.282 8.096 -0.000) 8.197 16.397 ( 7.308 3.799 -0.000) 8.237 16.589 ( -10.224 11.226 -0.000) 15.184 16.990 ( -1.316 -9.197 0.000) 9.291 17.149 ( -5.301 -8.129 0.000) 9.705 17.186 ( -2.071 -15.649 0.000) 15.785 17.840 ( -0.698 -1.086 0.000) 1.291 17.997 ( -5.126 -1.446 0.000) 5.326 18.406 ( 0.677 0.772 -0.000) 1.027 18.829 ( 0.324 7.257 -0.000) 7.264 ======================= Grid point 146 (110/160) ======================= q-point: (-0.28 -0.38 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -3.518 -2.543 -23.112) 23.516 2.339 ( -9.654 -10.409 -18.933) 23.664 2.790 ( -4.018 -3.099 -0.184) 5.078 3.263 ( 13.259 -4.979 5.407) 15.160 3.583 ( -4.954 0.120 -4.479) 6.679 3.698 ( -0.932 3.715 -2.281) 4.458 3.871 ( 0.405 7.352 -1.314) 7.480 4.150 ( -1.273 0.185 -1.110) 1.699 4.359 ( -1.982 -6.294 -14.625) 16.045 4.496 ( 1.776 -14.114 -7.995) 16.318 4.814 ( -1.003 8.178 -1.692) 8.411 5.151 ( -2.534 10.277 6.382) 12.360 5.428 ( -1.137 2.952 -1.889) 3.685 5.797 ( -10.241 -3.141 9.506) 14.322 6.031 ( -9.631 -8.778 -2.983) 13.368 7.604 ( 5.081 14.532 5.898) 16.486 7.689 ( 8.260 7.438 0.168) 11.117 8.145 ( 6.648 6.416 8.033) 12.243 9.139 ( 0.428 -6.045 -6.004) 8.530 9.492 ( -32.273 -5.057 -20.803) 38.728 9.961 ( 1.164 -12.396 -7.832) 14.709 11.333 ( -13.645 3.491 -0.556) 14.095 12.242 ( -0.433 10.513 10.421) 14.809 12.428 ( -5.009 13.477 5.737) 15.480 12.725 ( 12.587 -9.372 4.023) 16.201 13.414 ( -0.402 -11.271 -1.618) 11.393 13.939 ( 1.845 -11.254 7.472) 13.634 14.104 ( 4.984 0.612 -3.965) 6.398 15.226 ( -6.982 6.684 0.748) 9.695 15.858 ( -0.906 5.479 0.343) 5.564 16.003 ( -3.152 -8.914 1.074) 9.516 16.004 ( -2.549 1.432 0.093) 2.925 16.303 ( 2.639 5.322 -2.039) 6.281 16.521 ( 7.194 -0.498 1.448) 7.355 16.655 ( 1.266 7.355 -1.450) 7.602 16.914 ( -0.597 -8.951 2.584) 9.335 17.261 ( 0.165 0.813 9.907) 9.941 17.423 ( 6.133 -8.884 3.651) 11.396 17.622 ( -1.787 -1.539 -5.448) 5.937 17.809 ( -0.449 -5.588 -3.994) 6.884 18.439 ( 3.715 0.744 -1.619) 4.120 18.976 ( 0.390 4.708 7.132) 8.555 ======================= Grid point 147 (111/160) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 22.735 0.000 0.000) 22.735 1.408 ( 24.668 0.000 0.000) 24.668 2.658 ( 36.088 0.000 0.000) 36.088 3.208 ( 9.566 0.000 0.000) 9.566 3.358 ( -14.111 -0.000 -0.000) 14.111 3.876 ( -8.591 -0.000 -0.000) 8.591 4.050 ( 6.590 0.000 0.000) 6.590 4.207 ( -3.456 -0.000 -0.000) 3.456 4.476 ( -7.629 -0.000 -0.000) 7.629 4.506 ( 5.418 0.000 0.000) 5.418 4.648 ( 4.939 0.000 0.000) 4.939 4.760 ( 4.333 0.000 0.000) 4.333 4.844 ( 5.927 0.000 0.000) 5.927 6.539 ( 19.110 0.000 0.000) 19.110 6.809 ( 6.321 0.000 0.000) 6.321 7.307 ( -12.154 -0.000 -0.000) 12.154 7.345 ( -19.088 -0.000 -0.000) 19.088 8.401 ( -5.201 -0.000 -0.000) 5.201 8.727 ( 5.546 0.000 0.000) 5.546 9.207 ( 52.212 0.000 0.000) 52.212 9.401 ( 7.010 0.000 0.000) 7.010 12.114 ( 3.777 0.000 0.000) 3.777 12.178 ( -4.269 -0.000 -0.000) 4.269 12.579 ( -9.542 -0.000 -0.000) 9.542 13.429 ( -12.384 -0.000 -0.000) 12.384 13.435 ( -14.298 -0.000 -0.000) 14.298 13.498 ( 10.068 0.000 0.000) 10.068 14.120 ( -6.006 -0.000 -0.000) 6.006 15.435 ( 3.308 0.000 0.000) 3.308 15.800 ( 5.466 0.000 0.000) 5.466 16.030 ( 1.008 0.000 0.000) 1.008 16.047 ( 0.028 0.000 0.000) 0.028 16.271 ( 9.464 0.000 0.000) 9.464 16.364 ( -1.785 -0.000 -0.000) 1.785 16.898 ( -3.041 -0.000 -0.000) 3.041 16.906 ( -0.302 -0.000 -0.000) 0.302 17.101 ( -14.877 -0.000 -0.000) 14.877 17.131 ( -3.170 -0.000 -0.000) 3.170 17.844 ( -1.216 -0.000 -0.000) 1.216 18.073 ( -5.246 -0.000 -0.000) 5.246 18.415 ( -0.637 -0.000 -0.000) 0.637 18.872 ( 3.512 0.000 0.000) 3.512 ======================= Grid point 148 (112/160) ======================= q-point: ( 0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -0.000 14.911 2.976) 15.205 2.263 ( -0.000 28.117 -3.586) 28.345 2.842 ( -0.000 9.310 -5.350) 10.737 3.191 ( 0.000 -12.207 -4.337) 12.954 3.199 ( -0.000 -5.773 -17.333) 18.269 3.794 ( 0.000 -0.345 6.034) 6.044 3.996 ( 0.000 3.656 6.463) 7.426 4.149 ( -0.000 3.699 -4.349) 5.709 4.413 ( -0.000 4.657 0.183) 4.660 4.689 ( 0.000 -9.063 9.578) 13.186 5.065 ( -0.000 -5.260 -14.783) 15.691 5.146 ( -0.000 24.720 6.843) 25.650 5.217 ( -0.000 14.539 4.917) 15.348 5.685 ( 0.000 -2.803 10.819) 11.176 6.209 ( 0.000 -18.512 -9.496) 20.806 6.509 ( 0.000 -1.016 6.686) 6.763 6.678 ( -0.000 3.184 -3.168) 4.492 8.388 ( -0.000 16.120 1.154) 16.161 8.425 ( 0.000 -3.635 3.019) 4.725 10.227 ( -0.000 6.481 -8.520) 10.704 10.540 ( -0.000 7.485 6.732) 10.067 10.744 ( -0.000 24.373 2.093) 24.463 11.541 ( 0.000 -23.360 -2.756) 23.522 11.813 ( 0.000 -15.468 -2.291) 15.637 13.628 ( 0.000 -3.954 3.086) 5.015 13.687 ( -0.000 12.841 0.125) 12.841 14.126 ( -0.000 2.182 -1.533) 2.667 14.811 ( 0.000 -6.831 2.477) 7.266 15.084 ( 0.000 -5.979 -0.140) 5.980 15.095 ( -0.000 4.794 0.209) 4.799 15.462 ( 0.000 -4.765 1.022) 4.874 15.938 ( -0.000 7.073 -0.503) 7.091 16.506 ( -0.000 0.216 -0.074) 0.229 16.683 ( 0.000 -2.708 0.959) 2.873 16.931 ( 0.000 -5.653 -0.250) 5.658 16.956 ( -0.000 5.257 0.222) 5.261 17.461 ( 0.000 -10.833 2.811) 11.192 17.959 ( 0.000 -4.362 -4.683) 6.400 18.073 ( -0.000 -0.056 -0.959) 0.960 18.247 ( 0.000 -5.855 -0.508) 5.877 18.420 ( -0.000 4.556 -7.263) 8.573 18.733 ( 0.000 -2.275 6.959) 7.322 ======================= Grid point 149 (113/160) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.637 -0.000 -15.303) 15.317 2.238 ( 4.548 -0.000 -18.925) 19.464 2.815 ( -1.827 -0.000 -5.139) 5.454 2.955 ( 10.468 0.000 7.107) 12.653 3.748 ( -5.208 -0.000 -1.449) 5.406 3.812 ( -9.808 0.000 3.800) 10.518 3.953 ( 4.036 -0.000 -12.853) 13.472 4.130 ( 2.645 -0.000 -3.194) 4.147 4.211 ( 0.363 -0.000 -4.777) 4.791 4.442 ( -4.958 -0.000 -1.887) 5.305 4.939 ( 0.385 -0.000 -2.841) 2.867 5.279 ( -0.508 0.000 4.669) 4.697 5.326 ( 9.740 0.000 2.462) 10.047 6.042 ( -17.473 0.000 5.764) 18.399 6.225 ( -17.316 -0.000 -2.885) 17.554 7.497 ( 16.077 0.000 0.481) 16.084 7.593 ( 8.794 0.000 5.437) 10.339 8.216 ( -0.793 0.000 4.898) 4.962 8.983 ( 4.672 -0.000 -5.283) 7.053 9.783 ( 3.135 -0.000 -4.847) 5.773 10.163 ( -37.266 -0.000 -19.977) 42.283 11.643 ( -12.306 -0.000 -1.076) 12.353 12.141 ( 23.533 0.000 10.411) 25.733 12.457 ( -5.227 0.000 10.116) 11.387 12.806 ( -10.173 0.000 6.236) 11.932 13.238 ( 2.293 -0.000 -2.122) 3.124 13.821 ( -1.466 0.000 4.931) 5.144 13.979 ( 9.279 -0.000 -5.987) 11.043 15.397 ( -3.878 0.000 0.106) 3.879 15.936 ( -2.934 -0.000 -0.554) 2.986 16.017 ( -6.851 0.000 1.432) 6.999 16.060 ( -1.157 0.000 0.234) 1.181 16.354 ( 1.812 0.000 0.750) 1.961 16.397 ( 3.935 -0.000 -0.779) 4.011 16.761 ( 1.074 -0.000 -1.239) 1.639 16.822 ( -3.411 -0.000 -0.469) 3.443 17.108 ( 12.388 0.000 3.063) 12.761 17.218 ( 2.344 0.000 8.504) 8.821 17.702 ( 1.301 -0.000 -6.546) 6.674 17.734 ( -4.083 -0.000 -2.576) 4.828 18.383 ( 2.697 -0.000 -1.478) 3.076 19.049 ( -1.671 0.000 6.475) 6.687 ======================= Grid point 150 (114/160) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 6.224 -0.000 -0.000) 6.224 2.588 ( 2.435 -0.000 -0.000) 2.435 3.094 ( 9.832 0.000 0.000) 9.832 3.110 ( 13.270 -0.000 -0.000) 13.270 3.568 ( 9.509 -0.000 -0.000) 9.509 3.786 ( -4.341 0.000 -0.000) 4.341 3.943 ( -1.181 -0.000 -0.000) 1.181 4.141 ( -4.993 -0.000 0.000) 4.993 4.241 ( 0.397 -0.000 -0.000) 0.397 4.489 ( -4.640 0.000 0.000) 4.640 5.272 ( 5.721 -0.000 0.000) 5.721 5.477 ( -1.373 -0.000 -0.000) 1.373 5.699 ( 7.970 -0.000 -0.000) 7.970 5.945 ( 3.713 0.000 0.000) 3.713 6.225 ( 6.744 -0.000 -0.000) 6.744 6.307 ( -6.359 0.000 -0.000) 6.359 6.639 ( 6.962 -0.000 -0.000) 6.962 7.804 ( -21.563 -0.000 -0.000) 21.563 9.865 ( 28.214 -0.000 -0.000) 28.214 10.202 ( 3.585 0.000 -0.000) 3.585 10.758 ( 5.751 -0.000 -0.000) 5.751 11.007 ( 1.883 0.000 -0.000) 1.883 11.550 ( 7.673 -0.000 -0.000) 7.673 12.360 ( 17.006 -0.000 -0.000) 17.006 12.901 ( -18.961 -0.000 -0.000) 18.961 13.631 ( -15.325 -0.000 0.000) 15.325 14.157 ( 8.025 0.000 -0.000) 8.025 14.620 ( -7.807 -0.000 -0.000) 7.807 15.471 ( 8.849 0.000 -0.000) 8.849 15.484 ( 8.445 -0.000 -0.000) 8.445 15.692 ( 5.939 -0.000 -0.000) 5.939 15.869 ( -0.535 -0.000 -0.000) 0.535 16.112 ( -9.297 -0.000 -0.000) 9.297 16.172 ( -11.143 -0.000 -0.000) 11.143 16.976 ( 0.047 -0.000 -0.000) 0.047 16.981 ( -0.063 0.000 0.000) 0.063 17.643 ( 1.518 0.000 -0.000) 1.518 17.806 ( -3.179 -0.000 -0.000) 3.179 17.897 ( 0.365 -0.000 -0.000) 0.365 18.090 ( -5.341 -0.000 -0.000) 5.341 18.221 ( 1.452 0.000 -0.000) 1.452 18.532 ( -8.466 -0.000 -0.000) 8.466 ======================= Grid point 152 (115/160) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.000 -0.000 -24.362) 24.362 1.098 ( -0.000 -0.000 -27.643) 27.643 1.915 ( -0.000 -0.000 -47.550) 47.550 2.764 ( 0.000 0.000 2.118) 2.118 3.777 ( -0.000 -0.000 -2.949) 2.949 3.805 ( -0.000 -0.000 -5.159) 5.159 4.016 ( -0.000 -0.000 -4.458) 4.458 4.059 ( 0.000 0.000 14.308) 14.308 4.144 ( 0.000 0.000 9.147) 9.147 4.186 ( 0.000 0.000 4.675) 4.675 4.766 ( -0.000 -0.000 -1.255) 1.255 5.102 ( -0.000 -0.000 -9.754) 9.754 5.435 ( 0.000 0.000 6.737) 6.737 5.507 ( -0.000 -0.000 -13.162) 13.162 5.887 ( 0.000 0.000 6.619) 6.619 7.666 ( -0.000 -0.000 -24.423) 24.423 7.903 ( -0.000 -0.000 -4.186) 4.186 8.058 ( 0.000 0.000 3.854) 3.854 8.758 ( -0.000 -0.000 -10.848) 10.848 8.771 ( 0.000 0.000 8.449) 8.449 9.411 ( -0.000 -0.000 -9.957) 9.957 11.089 ( 0.000 0.000 3.763) 3.763 12.380 ( -0.000 -0.000 -10.913) 10.913 12.613 ( 0.000 0.000 6.997) 6.997 12.905 ( 0.000 0.000 8.807) 8.807 13.780 ( 0.000 0.000 9.288) 9.288 13.981 ( -0.000 -0.000 -7.032) 7.032 14.154 ( 0.000 0.000 7.522) 7.522 15.255 ( 0.000 0.000 0.934) 0.934 15.740 ( 0.000 0.000 0.372) 0.372 15.994 ( 0.000 0.000 1.591) 1.591 16.001 ( -0.000 -0.000 -0.393) 0.393 16.446 ( -0.000 -0.000 -0.466) 0.466 16.654 ( 0.000 0.000 4.259) 4.259 16.794 ( 0.000 0.000 4.176) 4.176 17.001 ( 0.000 0.000 0.967) 0.967 17.219 ( -0.000 -0.000 -6.301) 6.301 17.430 ( -0.000 -0.000 -7.499) 7.499 17.723 ( 0.000 0.000 8.298) 8.298 17.769 ( 0.000 0.000 6.196) 6.196 18.518 ( -0.000 -0.000 -0.044) 0.044 19.392 ( 0.000 0.000 7.654) 7.654 ======================= Grid point 158 (116/160) ======================= q-point: ( 0.45 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -17.609 0.748 -0.619) 17.636 2.780 ( -0.433 -3.285 -11.759) 12.217 2.861 ( -2.918 19.137 -6.212) 20.330 3.095 ( -2.432 -4.747 -15.619) 16.504 3.367 ( -4.244 13.651 4.300) 14.929 3.856 ( -0.502 1.155 -0.964) 1.586 4.001 ( 7.730 -0.655 7.137) 10.542 4.106 ( 2.348 -1.024 -5.085) 5.694 4.453 ( -9.895 -13.600 8.915) 19.035 4.560 ( 0.832 7.326 2.008) 7.642 4.890 ( 6.117 -2.666 -10.541) 12.476 5.155 ( -4.228 -6.932 -1.725) 8.301 5.629 ( 0.574 -1.577 7.103) 7.298 5.794 ( -5.465 -14.340 -5.596) 16.335 6.174 ( -3.144 19.935 3.950) 20.564 6.264 ( -0.753 9.298 4.284) 10.265 7.100 ( 4.326 24.752 -1.411) 25.166 8.241 ( 8.132 -5.760 4.294) 10.851 8.858 ( -17.479 11.257 -1.821) 20.870 10.045 ( -5.980 -17.639 -6.632) 19.771 10.855 ( 5.999 -4.245 -3.757) 8.254 11.043 ( -3.991 6.881 -7.664) 11.046 11.403 ( -4.900 18.753 7.568) 20.808 11.632 ( -7.503 -6.974 5.311) 11.539 13.364 ( 13.670 -7.197 2.851) 15.710 13.866 ( -8.614 -5.710 -3.198) 10.818 14.129 ( 4.408 2.765 -1.904) 5.541 14.547 ( 2.649 -15.784 4.916) 16.743 14.953 ( -6.119 -4.857 0.535) 7.830 15.446 ( -4.690 16.140 0.190) 16.809 15.487 ( -2.074 5.159 1.262) 5.701 16.119 ( 1.416 10.487 -2.996) 10.998 16.469 ( 8.011 1.681 1.052) 8.253 16.552 ( 7.534 -0.921 2.244) 7.915 16.750 ( -2.742 -12.314 -1.134) 12.666 17.049 ( -1.087 1.496 0.274) 1.870 17.229 ( -1.642 -12.071 5.648) 13.427 17.842 ( -0.061 -7.477 -2.822) 7.992 17.933 ( 0.663 -9.405 0.746) 9.458 18.131 ( 0.878 -5.983 -2.557) 6.565 18.473 ( 3.257 3.923 -4.391) 6.729 18.711 ( 2.952 2.768 5.945) 7.192 ======================= Grid point 161 (117/160) ======================= q-point: (-0.43 -0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -1.171 -1.341 -6.005) 6.263 2.654 ( -14.840 -4.392 -15.059) 21.594 3.072 ( -8.899 -9.450 -10.704) 16.825 3.264 ( 9.683 5.865 -1.133) 11.377 3.495 ( 0.753 2.150 5.213) 5.689 3.657 ( -0.588 -6.717 6.494) 9.362 3.860 ( 2.801 1.155 -5.712) 6.466 4.177 ( -3.001 0.971 -3.459) 4.681 4.532 ( -3.051 8.196 8.794) 12.402 4.655 ( 3.388 0.122 -7.205) 7.963 4.823 ( 2.041 2.855 -0.223) 3.517 5.008 ( 2.806 -4.655 -6.153) 8.210 5.519 ( -2.495 -7.547 -1.530) 8.095 5.743 ( -13.318 -7.080 4.318) 15.689 6.194 ( -6.740 -3.511 -0.103) 7.600 7.006 ( -0.150 30.891 6.080) 31.484 7.460 ( 4.715 19.444 -3.003) 20.232 7.935 ( 12.890 -2.466 6.803) 14.782 9.301 ( -7.939 -1.419 -1.148) 8.146 9.966 ( -25.630 -10.277 -11.626) 29.961 10.404 ( 4.965 -18.887 -3.553) 19.850 11.334 ( -6.161 7.469 -9.049) 13.253 11.788 ( -4.717 8.662 12.751) 16.120 11.987 ( -11.340 17.930 4.227) 21.632 12.857 ( 18.972 -10.702 3.811) 22.113 13.790 ( -5.580 -14.482 -6.218) 16.719 14.062 ( 6.885 -4.456 0.212) 8.203 14.155 ( 2.499 -9.763 4.984) 11.243 15.099 ( -9.485 3.182 0.638) 10.025 15.681 ( -2.046 8.973 0.806) 9.238 15.844 ( -4.764 11.281 0.282) 12.249 16.224 ( 3.251 -2.371 -0.719) 4.087 16.285 ( 4.336 -0.722 -2.730) 5.175 16.437 ( 6.802 3.769 3.136) 8.385 16.587 ( 3.138 -1.273 -1.904) 3.885 17.042 ( -3.057 -9.627 3.516) 10.695 17.100 ( -2.041 -0.790 4.985) 5.444 17.610 ( 2.489 -12.103 0.630) 12.373 17.793 ( -1.903 -5.862 -2.837) 6.784 17.976 ( 1.939 -5.493 -2.027) 6.168 18.466 ( 3.930 2.334 -3.694) 5.877 18.740 ( 1.705 4.945 5.939) 7.914 ======================= Grid point 166 (118/160) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -0.000 -2.444 -21.457) 21.596 1.680 ( -0.000 -5.804 -28.872) 29.450 2.682 ( 0.000 1.784 3.868) 4.260 2.989 ( -0.000 -19.681 -33.203) 38.598 3.611 ( -0.000 18.175 -3.481) 18.506 3.853 ( -0.000 7.193 -5.111) 8.824 3.905 ( 0.000 -11.385 11.251) 16.006 4.029 ( 0.000 2.914 4.276) 5.175 4.209 ( -0.000 -5.302 -8.009) 9.604 4.345 ( 0.000 -17.952 -3.871) 18.365 4.759 ( -0.000 1.839 -0.544) 1.918 5.151 ( -0.000 12.932 8.405) 15.424 5.184 ( -0.000 6.174 -6.867) 9.235 5.808 ( 0.000 -5.503 7.654) 9.427 5.820 ( 0.000 -7.879 -8.804) 11.815 7.762 ( -0.000 17.428 3.228) 17.724 7.884 ( -0.000 9.774 1.561) 9.898 8.207 ( -0.000 -3.358 -25.419) 25.640 8.520 ( 0.000 4.353 8.464) 9.517 9.092 ( 0.000 -11.098 -10.146) 15.037 9.754 ( 0.000 -11.993 -12.077) 17.020 10.996 ( -0.000 2.636 1.511) 3.039 12.382 ( -0.000 9.214 7.866) 12.115 12.456 ( -0.000 13.880 5.517) 14.936 12.828 ( 0.000 -11.522 -7.848) 13.941 13.607 ( 0.000 -3.321 11.050) 11.538 14.094 ( -0.000 1.477 -6.052) 6.230 14.162 ( 0.000 -14.590 9.513) 17.417 15.089 ( -0.000 9.919 0.912) 9.961 15.884 ( -0.000 6.740 1.718) 6.955 15.948 ( -0.000 6.417 -0.213) 6.420 15.955 ( 0.000 -17.479 0.674) 17.492 16.290 ( -0.000 8.337 -3.683) 9.115 16.664 ( -0.000 3.486 1.002) 3.627 16.839 ( 0.000 -12.657 9.009) 15.536 16.985 ( 0.000 -0.717 0.760) 1.045 17.261 ( -0.000 4.535 -2.914) 5.391 17.559 ( 0.000 -6.203 4.565) 7.702 17.692 ( 0.000 -5.812 2.179) 6.207 17.711 ( 0.000 -5.307 1.072) 5.414 18.512 ( -0.000 1.013 -0.588) 1.171 19.169 ( 0.000 4.839 8.097) 9.433 ======================= Grid point 169 (119/160) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -0.000 31.214 -0.000) 31.214 1.717 ( -0.000 28.802 -0.000) 28.802 2.735 ( -0.000 2.056 -0.000) 2.056 3.404 ( -0.000 10.902 -0.000) 10.902 3.638 ( 0.000 -16.751 0.000) 16.751 3.680 ( -0.000 0.043 -0.000) 0.043 3.740 ( -0.000 32.350 -0.000) 32.350 3.941 ( 0.000 -2.138 0.000) 2.138 4.338 ( -0.000 0.885 -0.000) 0.885 4.534 ( -0.000 7.173 -0.000) 7.173 4.686 ( 0.000 -0.110 0.000) 0.110 5.198 ( 0.000 -0.258 0.000) 0.258 5.388 ( 0.000 -6.200 0.000) 6.200 5.601 ( 0.000 -5.460 0.000) 5.460 5.953 ( -0.000 28.811 -0.000) 28.811 6.858 ( 0.000 -28.946 0.000) 28.946 7.042 ( 0.000 -22.086 0.000) 22.086 7.987 ( -0.000 19.763 -0.000) 19.763 8.445 ( 0.000 -1.057 0.000) 1.057 9.704 ( -0.000 32.085 -0.000) 32.085 10.184 ( -0.000 25.892 -0.000) 25.892 10.732 ( 0.000 -14.077 0.000) 14.077 12.054 ( 0.000 -21.677 0.000) 21.677 12.191 ( 0.000 -16.877 0.000) 16.877 13.251 ( -0.000 25.324 -0.000) 25.324 13.670 ( 0.000 -3.254 0.000) 3.254 14.093 ( -0.000 2.563 -0.000) 2.563 14.836 ( -0.000 2.574 -0.000) 2.574 14.924 ( -0.000 3.696 -0.000) 3.696 15.415 ( 0.000 -17.316 0.000) 17.316 15.600 ( 0.000 -8.038 0.000) 8.038 15.858 ( 0.000 -0.141 0.000) 0.141 16.605 ( 0.000 -7.150 0.000) 7.150 16.713 ( 0.000 -2.892 0.000) 2.892 16.715 ( -0.000 15.130 -0.000) 15.130 17.032 ( 0.000 -1.561 0.000) 1.561 17.612 ( 0.000 -3.935 0.000) 3.935 17.946 ( -0.000 10.862 -0.000) 10.862 18.098 ( 0.000 -3.040 0.000) 3.040 18.363 ( 0.000 -5.338 0.000) 5.338 18.446 ( -0.000 5.158 -0.000) 5.158 18.746 ( 0.000 -8.661 0.000) 8.661 ======================= Grid point 170 (120/160) ======================= q-point: (-0.31 -0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 9.539 -3.829 -12.225) 15.972 2.695 ( 15.672 -13.182 -3.975) 20.861 2.896 ( -6.932 -2.190 -9.066) 11.621 3.037 ( -2.495 -8.451 -4.554) 9.919 3.615 ( -8.583 -1.128 14.188) 16.620 3.777 ( -3.379 6.454 -5.275) 8.994 3.934 ( -0.088 7.448 -1.347) 7.569 4.187 ( 0.144 -1.050 -2.388) 2.612 4.523 ( 9.288 -8.993 -4.985) 13.856 4.553 ( 1.967 -5.221 -5.077) 7.543 4.834 ( 0.915 13.430 2.970) 13.785 5.061 ( 5.776 8.353 -1.261) 10.233 5.377 ( 2.784 -7.940 4.192) 9.401 5.989 ( -22.583 -2.908 2.522) 22.908 6.335 ( -15.406 -2.662 -3.360) 15.992 7.343 ( 8.918 11.839 5.965) 15.977 7.494 ( 14.390 0.493 -0.677) 14.414 7.969 ( -1.784 15.228 4.072) 15.863 9.149 ( 4.889 -7.834 -2.351) 9.529 9.971 ( 6.494 -11.116 -2.284) 13.075 10.540 ( -37.196 -2.139 -14.690) 40.049 11.608 ( -4.477 7.658 -3.684) 9.605 11.921 ( 7.968 -0.290 12.334) 14.687 12.328 ( 6.221 -3.491 4.558) 8.466 12.554 ( -10.844 11.368 4.714) 16.402 13.476 ( 3.572 -15.335 -3.135) 16.055 13.829 ( -2.530 -7.198 3.082) 8.229 14.050 ( 6.517 0.803 -2.239) 6.937 15.349 ( -6.447 3.935 0.303) 7.559 15.889 ( -1.968 6.835 -0.371) 7.122 16.035 ( -1.641 2.109 0.588) 2.736 16.070 ( -5.076 -8.298 0.879) 9.767 16.270 ( 3.446 5.085 -0.931) 6.212 16.390 ( 4.448 2.130 0.485) 4.956 16.642 ( 3.992 11.370 -1.595) 12.155 16.910 ( -2.772 -9.009 1.168) 9.498 17.091 ( -0.232 -2.272 6.255) 6.659 17.270 ( 5.301 -14.117 0.867) 15.104 17.764 ( -1.597 -0.117 -5.448) 5.679 17.868 ( -0.542 -3.743 -1.126) 3.946 18.430 ( 2.902 0.766 -3.715) 4.776 18.852 ( -1.674 5.293 6.669) 8.677 ======================= Grid point 172 (121/160) ======================= q-point: ( 0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -16.886 16.044 -0.000) 23.293 2.337 ( -3.204 27.905 -0.000) 28.088 2.970 ( -6.969 14.334 -0.000) 15.938 3.279 ( -2.752 -18.443 0.000) 18.647 3.337 ( 2.495 -4.349 0.000) 5.013 3.816 ( -8.801 2.124 -0.000) 9.054 3.911 ( 2.389 -0.010 0.000) 2.389 4.177 ( 2.370 2.994 -0.000) 3.819 4.391 ( 0.923 5.206 -0.000) 5.287 4.659 ( -6.792 -10.426 0.000) 12.444 5.029 ( 9.558 -1.270 0.000) 9.642 5.062 ( 1.140 43.256 -0.000) 43.271 5.363 ( -6.459 -8.593 0.000) 10.750 5.622 ( -9.389 -1.082 -0.000) 9.451 6.358 ( 0.196 -17.173 0.000) 17.175 6.379 ( 0.210 -0.672 0.000) 0.704 6.662 ( 5.008 5.453 -0.000) 7.403 8.313 ( 8.316 -4.227 0.000) 9.329 8.566 ( -19.029 16.691 -0.000) 25.312 10.354 ( 2.176 31.793 -0.000) 31.868 10.468 ( -5.851 -13.572 0.000) 14.779 10.809 ( -8.793 22.014 -0.000) 23.705 11.562 ( 0.742 -24.538 0.000) 24.549 11.891 ( -5.948 -16.611 0.000) 17.644 13.441 ( 12.039 -2.284 0.000) 12.254 13.793 ( -6.554 13.270 -0.000) 14.800 14.098 ( 4.311 2.059 -0.000) 4.778 14.760 ( 2.552 -8.180 0.000) 8.569 15.140 ( -5.454 -13.341 0.000) 14.413 15.143 ( -5.235 12.395 -0.000) 13.455 15.483 ( -3.072 -5.318 0.000) 6.142 15.936 ( 0.528 7.691 -0.000) 7.709 16.445 ( 6.861 -1.628 0.000) 7.052 16.561 ( 9.405 -1.186 0.000) 9.479 16.959 ( -0.555 7.740 -0.000) 7.760 16.983 ( -3.530 -8.307 0.000) 9.026 17.439 ( -0.623 -11.990 0.000) 12.006 18.013 ( 0.759 -3.810 0.000) 3.885 18.041 ( 2.466 -1.367 0.000) 2.819 18.258 ( -0.365 -4.312 0.000) 4.328 18.533 ( 6.876 -3.341 0.000) 7.645 18.544 ( 1.321 4.731 -0.000) 4.912 ======================= Grid point 173 (122/160) ======================= q-point: (-0.19 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 17.974 0.000 -0.169) 17.975 2.237 ( 19.238 -0.000 -6.776) 20.396 2.893 ( -5.768 -0.000 -4.104) 7.079 3.070 ( -2.311 -0.000 -13.203) 13.404 3.691 ( 0.811 0.000 8.275) 8.315 3.983 ( -5.395 0.000 2.632) 6.003 4.045 ( 7.730 0.000 1.608) 7.896 4.073 ( -1.174 -0.000 -1.431) 1.851 4.197 ( 7.046 -0.000 -13.127) 14.899 4.520 ( -3.229 0.000 1.493) 3.557 4.963 ( 6.718 -0.000 -3.686) 7.663 5.088 ( 4.101 0.000 10.123) 10.922 5.104 ( 6.173 0.000 3.950) 7.329 6.432 ( -25.902 -0.000 -0.505) 25.907 6.618 ( -13.709 -0.000 -7.036) 15.409 7.201 ( 14.833 -0.000 -0.862) 14.858 7.279 ( 8.997 0.000 9.186) 12.859 8.213 ( -4.547 0.000 1.423) 4.765 8.949 ( 6.174 -0.000 -2.085) 6.516 9.720 ( 7.568 0.000 -0.019) 7.568 10.910 ( 14.839 -0.000 -12.070) 19.128 11.565 ( -9.559 0.000 11.332) 14.826 11.935 ( -8.887 -0.000 -8.087) 12.016 12.363 ( -6.371 0.000 11.208) 12.892 12.940 ( -13.665 0.000 3.616) 14.135 13.216 ( 2.939 -0.000 -0.767) 3.037 13.858 ( -6.374 -0.000 0.028) 6.374 13.880 ( 11.308 -0.000 -4.180) 12.056 15.461 ( -2.068 -0.000 -0.459) 2.119 15.987 ( -0.453 -0.000 -1.330) 1.405 16.060 ( -0.296 0.000 3.321) 3.334 16.061 ( -0.159 0.000 0.822) 0.837 16.326 ( 0.202 0.000 0.111) 0.231 16.413 ( -3.852 -0.000 -1.850) 4.273 16.785 ( 0.073 -0.000 -1.428) 1.430 16.858 ( 7.156 0.000 1.890) 7.402 16.882 ( -1.449 -0.000 -0.216) 1.465 17.072 ( -1.088 0.000 4.562) 4.690 17.788 ( 0.731 -0.000 -4.228) 4.290 17.862 ( -3.429 -0.000 -3.373) 4.810 18.397 ( 1.256 -0.000 -3.146) 3.388 18.959 ( -2.248 0.000 6.580) 6.953 ======================= Grid point 175 (123/160) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -11.958 -0.000 -22.239) 25.250 1.642 ( -2.785 -0.000 -25.153) 25.307 2.689 ( -1.933 -0.000 -6.765) 7.035 2.948 ( -14.185 -0.000 -27.145) 30.627 3.647 ( 11.670 0.000 12.040) 16.767 3.778 ( 8.128 -0.000 -4.229) 9.162 3.885 ( 3.426 -0.000 -11.034) 11.554 4.090 ( -0.785 0.000 4.742) 4.807 4.131 ( -0.815 -0.000 -2.764) 2.882 4.192 ( -7.689 -0.000 -1.416) 7.818 4.817 ( -3.335 -0.000 -0.923) 3.460 5.211 ( 0.773 -0.000 -4.461) 4.527 5.535 ( -16.152 0.000 1.891) 16.263 5.649 ( 5.451 -0.000 -4.924) 7.346 5.802 ( -6.884 0.000 9.670) 11.871 7.906 ( 4.041 -0.000 -0.238) 4.048 7.941 ( 4.433 0.000 3.413) 5.595 8.401 ( -23.441 -0.000 -25.731) 34.808 8.509 ( 6.553 0.000 9.734) 11.734 8.959 ( 1.666 -0.000 -10.446) 10.578 9.636 ( -0.807 -0.000 -11.591) 11.619 11.152 ( -12.429 0.000 4.336) 13.164 12.498 ( -1.845 0.000 7.494) 7.718 12.593 ( 2.229 -0.000 -11.209) 11.428 12.733 ( -2.168 0.000 9.877) 10.112 13.509 ( 6.021 0.000 11.461) 12.947 13.983 ( 0.736 0.000 8.962) 8.992 14.085 ( 2.803 -0.000 -6.505) 7.083 15.263 ( -2.674 0.000 0.940) 2.834 15.757 ( -2.967 0.000 0.612) 3.030 15.961 ( -0.168 0.000 1.640) 1.648 16.016 ( -0.634 -0.000 -0.426) 0.764 16.439 ( 1.192 0.000 0.321) 1.235 16.556 ( 3.711 0.000 0.778) 3.792 16.737 ( -1.152 0.000 2.197) 2.480 16.885 ( 6.709 -0.000 -0.730) 6.748 17.445 ( -9.127 -0.000 -1.870) 9.317 17.481 ( 1.892 0.000 6.513) 6.782 17.584 ( 6.283 0.000 5.793) 8.545 17.618 ( 0.368 -0.000 -4.120) 4.136 18.498 ( 2.342 0.000 -0.004) 2.342 19.193 ( 2.573 0.000 7.709) 8.127 ======================= Grid point 181 (124/160) ======================= q-point: ( 0.42 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -13.205 3.065 -0.000) 13.556 2.918 ( -1.536 22.374 -0.000) 22.427 3.048 ( -3.213 -9.621 0.000) 10.143 3.240 ( -4.191 -3.893 0.000) 5.721 3.425 ( -7.382 9.342 -0.000) 11.907 3.781 ( 2.812 -8.379 0.000) 8.839 3.948 ( 0.257 -3.489 0.000) 3.499 4.148 ( -0.473 6.630 -0.000) 6.647 4.434 ( -2.982 -8.857 0.000) 9.346 4.592 ( -3.044 1.907 -0.000) 3.592 4.841 ( 9.354 0.459 0.000) 9.366 5.227 ( -1.309 -11.717 0.000) 11.790 5.557 ( -0.696 4.453 -0.000) 4.507 6.009 ( -12.127 -10.650 0.000) 16.139 6.214 ( -4.012 -1.301 0.000) 4.218 6.255 ( -4.031 26.427 -0.000) 26.733 7.007 ( 7.077 26.701 -0.000) 27.623 7.980 ( 14.645 -6.172 0.000) 15.892 9.238 ( -19.281 7.364 -0.000) 20.640 10.346 ( -18.485 -15.841 0.000) 24.344 10.707 ( 10.572 2.836 -0.000) 10.946 11.219 ( -2.754 0.491 -0.000) 2.797 11.445 ( -8.293 20.430 -0.000) 22.049 11.815 ( -17.275 -9.693 0.000) 19.808 13.016 ( 19.749 -8.381 0.000) 21.453 14.018 ( 9.006 3.349 -0.000) 9.608 14.074 ( -8.867 -1.932 0.000) 9.076 14.415 ( 5.411 -17.528 0.000) 18.344 15.105 ( -9.948 -4.663 0.000) 10.986 15.528 ( -3.716 3.622 -0.000) 5.189 15.564 ( -7.059 14.793 -0.000) 16.391 16.101 ( 3.319 10.652 -0.000) 11.157 16.284 ( 10.143 2.158 -0.000) 10.370 16.372 ( 8.119 0.350 0.000) 8.126 16.798 ( -0.582 -13.169 0.000) 13.182 17.069 ( -1.451 1.707 -0.000) 2.240 17.220 ( -3.575 -12.138 0.000) 12.654 17.846 ( 2.772 -10.262 0.000) 10.630 17.927 ( -0.859 -4.507 0.000) 4.588 18.123 ( 3.172 -6.906 0.000) 7.600 18.438 ( 5.684 4.906 -0.000) 7.508 18.588 ( 2.249 3.724 -0.000) 4.350 ======================= Grid point 184 (125/160) ======================= q-point: (-0.46 0.46 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 8.470 -1.618 0.000) 8.623 2.832 ( 10.048 -9.736 0.000) 13.991 3.211 ( 1.308 3.735 -0.000) 3.958 3.331 ( -7.854 -10.698 0.000) 13.271 3.472 ( -9.310 -7.975 0.000) 12.259 3.663 ( -5.297 0.848 -0.000) 5.364 3.888 ( -1.394 1.090 -0.000) 1.770 4.296 ( -1.613 -6.585 0.000) 6.779 4.433 ( -0.749 15.744 -0.000) 15.762 4.629 ( 8.592 0.352 0.000) 8.600 4.737 ( 4.096 0.864 -0.000) 4.186 4.987 ( 5.191 -4.269 0.000) 6.721 5.495 ( 2.851 -6.696 0.000) 7.278 6.073 ( -21.308 -7.194 0.000) 22.490 6.384 ( -11.560 2.026 -0.000) 11.736 6.908 ( 3.482 23.738 -0.000) 23.992 7.467 ( 0.040 27.141 -0.000) 27.141 7.559 ( 17.401 -3.993 0.000) 17.854 9.355 ( 0.626 -9.731 0.000) 9.751 10.281 ( 9.689 -15.801 0.000) 18.535 10.734 ( -38.554 -2.756 -0.000) 38.652 11.430 ( 10.017 13.804 -0.000) 17.055 11.809 ( -14.039 -0.306 -0.000) 14.043 12.236 ( -18.337 10.902 -0.000) 21.333 12.430 ( 20.359 -7.826 0.000) 21.812 13.891 ( 8.743 1.603 -0.000) 8.889 13.892 ( 7.302 -20.290 0.000) 21.564 14.105 ( -5.947 -7.477 0.000) 9.554 15.276 ( -8.948 1.756 -0.000) 9.119 15.720 ( -2.576 8.425 -0.000) 8.810 15.921 ( -3.551 8.570 -0.000) 9.277 16.184 ( 6.815 4.566 -0.000) 8.203 16.186 ( 0.859 2.044 -0.000) 2.217 16.317 ( 4.782 4.286 -0.000) 6.421 16.545 ( 3.254 -5.302 0.000) 6.221 17.089 ( -1.786 -2.730 0.000) 3.262 17.092 ( -5.933 -10.287 0.000) 11.875 17.553 ( 2.947 -13.481 0.000) 13.799 17.879 ( -2.923 -3.222 0.000) 4.350 17.934 ( 3.530 -3.983 0.000) 5.322 18.442 ( 3.232 2.957 -0.000) 4.380 18.657 ( 0.262 6.163 -0.000) 6.168 ======================= Grid point 186 (126/160) ======================= q-point: (-0.46 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -0.000 -6.356 -14.149) 15.511 2.401 ( -0.000 -8.903 -28.665) 30.016 2.594 ( -0.000 0.756 0.272) 0.804 3.264 ( -0.000 23.368 -5.943) 24.112 3.675 ( -0.000 11.244 2.911) 11.614 3.814 ( 0.000 -14.398 -13.472) 19.717 3.921 ( -0.000 4.532 -0.847) 4.610 4.021 ( 0.000 -18.804 9.291) 20.974 4.488 ( -0.000 -0.733 -2.171) 2.291 4.708 ( -0.000 2.716 0.515) 2.764 4.711 ( -0.000 11.081 -0.529) 11.094 4.892 ( 0.000 -13.687 -10.042) 16.976 5.226 ( 0.000 -5.427 -5.899) 8.016 5.760 ( 0.000 -4.542 9.102) 10.172 6.088 ( 0.000 -6.386 -3.031) 7.069 7.121 ( -0.000 34.276 7.242) 35.033 7.569 ( -0.000 17.727 1.145) 17.764 8.348 ( 0.000 -2.442 7.520) 7.907 8.653 ( -0.000 2.061 -16.221) 16.352 9.533 ( 0.000 -15.920 -6.554) 17.217 10.313 ( 0.000 -19.797 -11.179) 22.735 10.992 ( -0.000 1.190 -6.037) 6.153 11.933 ( -0.000 19.903 9.217) 21.933 11.938 ( -0.000 15.554 10.825) 18.950 13.338 ( 0.000 -17.058 -9.588) 19.568 13.518 ( 0.000 -6.129 8.245) 10.273 14.155 ( -0.000 2.045 -4.168) 4.642 14.340 ( 0.000 -18.601 8.160) 20.312 14.911 ( -0.000 4.657 1.036) 4.771 15.675 ( -0.000 9.312 2.351) 9.604 15.732 ( -0.000 14.395 0.100) 14.395 16.228 ( -0.000 7.724 -5.347) 9.394 16.331 ( 0.000 -19.412 0.485) 19.418 16.599 ( -0.000 2.557 -1.654) 3.045 16.796 ( 0.000 0.939 7.684) 7.741 17.012 ( 0.000 -2.370 0.163) 2.375 17.182 ( 0.000 -4.539 8.185) 9.359 17.687 ( 0.000 -5.661 2.416) 6.155 17.715 ( 0.000 -11.443 0.077) 11.444 17.942 ( 0.000 -6.906 -4.420) 8.199 18.503 ( -0.000 2.331 -2.174) 3.187 18.929 ( 0.000 3.927 7.074) 8.091 ======================= Grid point 193 (127/160) ======================= q-point: (-0.34 0.34 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 18.745 -14.320 0.000) 23.588 2.338 ( 19.854 -3.064 0.000) 20.089 3.095 ( -5.570 -13.425 0.000) 14.535 3.230 ( 0.551 0.310 -0.000) 0.632 3.610 ( -8.776 -2.497 0.000) 9.125 3.773 ( 9.448 7.248 -0.000) 11.908 4.042 ( -10.667 2.081 -0.000) 10.868 4.214 ( 0.794 -5.420 0.000) 5.478 4.388 ( 9.136 -3.622 0.000) 9.827 4.555 ( 2.047 -5.916 0.000) 6.260 4.727 ( 2.524 13.892 -0.000) 14.120 4.931 ( 9.478 7.033 -0.000) 11.803 5.240 ( 5.633 -9.695 0.000) 11.212 6.448 ( -25.254 -1.186 -0.000) 25.282 6.697 ( -16.526 1.732 -0.000) 16.617 7.072 ( 11.667 8.989 -0.000) 14.728 7.205 ( 15.365 0.282 0.000) 15.368 8.015 ( -5.244 17.740 -0.000) 18.499 9.066 ( 5.865 -9.162 0.000) 10.878 9.825 ( 9.570 -9.809 0.000) 13.704 11.080 ( 38.521 -1.352 0.000) 38.545 11.437 ( -35.981 -1.346 -0.000) 36.006 12.084 ( -16.601 -1.401 -0.000) 16.660 12.166 ( 3.933 3.044 -0.000) 4.973 12.767 ( -14.692 9.615 -0.000) 17.559 13.405 ( 4.036 -14.440 0.000) 14.993 13.789 ( 8.808 5.422 -0.000) 10.343 14.032 ( -4.471 -8.987 0.000) 10.038 15.436 ( -2.594 2.388 -0.000) 3.525 15.934 ( -2.022 7.130 -0.000) 7.411 16.048 ( -0.560 1.272 -0.000) 1.390 16.097 ( 2.719 -7.204 0.000) 7.700 16.223 ( 1.797 7.162 -0.000) 7.384 16.392 ( -5.849 4.014 -0.000) 7.094 16.554 ( 6.267 12.441 -0.000) 13.931 16.956 ( -2.519 -10.925 0.000) 11.212 17.064 ( -3.231 -3.845 0.000) 5.022 17.190 ( 2.277 -16.264 0.000) 16.422 17.843 ( 0.960 -1.200 0.000) 1.536 17.909 ( -4.357 -1.111 0.000) 4.496 18.430 ( 1.904 0.875 -0.000) 2.096 18.814 ( -1.735 6.326 -0.000) 6.560 ======================= Grid point 195 (128/160) ======================= q-point: (-0.34 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -13.726 -1.475 -18.810) 23.332 2.222 ( -1.773 -8.716 -23.719) 25.332 2.685 ( -5.769 -0.274 1.077) 5.875 3.476 ( 7.352 -6.584 -3.398) 10.438 3.575 ( 4.348 -4.560 -5.478) 8.349 3.721 ( 2.432 7.394 -2.162) 8.078 3.854 ( -2.309 7.409 1.619) 7.928 4.105 ( -3.265 5.178 -4.475) 7.583 4.357 ( 2.028 -7.927 -13.432) 15.728 4.522 ( 0.755 -15.506 -10.077) 18.508 4.792 ( -1.025 4.422 -2.480) 5.173 5.065 ( -5.164 12.077 6.053) 14.463 5.355 ( -5.752 8.432 -3.053) 10.654 5.665 ( -3.933 -6.742 10.738) 13.275 5.931 ( -1.660 -10.674 -2.229) 11.030 7.664 ( 1.598 18.331 5.383) 19.172 7.802 ( 3.894 8.633 1.832) 9.646 8.275 ( 5.896 1.861 9.705) 11.507 8.876 ( -20.044 0.718 -20.364) 28.583 9.253 ( 0.579 -10.645 -8.581) 13.685 9.978 ( 0.491 -11.989 -10.263) 15.789 11.097 ( -9.919 0.796 -1.002) 10.001 12.232 ( -0.077 11.761 8.279) 14.383 12.343 ( -3.503 15.745 7.665) 17.859 12.938 ( 8.331 -12.043 -4.735) 15.390 13.400 ( -0.823 -7.773 5.405) 9.503 13.968 ( 1.115 -14.310 9.148) 17.020 14.174 ( 2.370 1.573 -4.387) 5.229 15.114 ( -4.405 9.124 0.920) 10.174 15.849 ( -0.153 5.988 1.216) 6.112 15.956 ( -1.607 -15.374 0.929) 15.486 15.967 ( -1.506 5.888 -0.110) 6.079 16.342 ( 1.404 4.967 -2.923) 5.931 16.642 ( 4.829 -5.634 4.869) 8.875 16.668 ( 0.327 4.719 -1.502) 4.963 16.932 ( 2.481 -4.132 1.151) 4.955 17.246 ( -1.835 3.916 8.861) 9.860 17.497 ( 1.182 -7.129 3.305) 7.946 17.588 ( -0.783 -4.740 -0.657) 4.849 17.810 ( 0.399 -5.209 -5.605) 7.662 18.505 ( 2.830 0.811 -1.787) 3.444 18.990 ( 0.878 3.227 8.534) 9.166 ======================= Grid point 196 (129/160) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 22.126 0.000 0.000) 22.126 1.870 ( 23.956 0.000 0.000) 23.956 3.116 ( -11.104 -0.000 -0.000) 11.104 3.134 ( 12.243 0.000 0.000) 12.243 3.501 ( 22.615 0.000 0.000) 22.615 3.726 ( -7.294 -0.000 -0.000) 7.294 4.113 ( -1.615 -0.000 -0.000) 1.615 4.221 ( 6.468 0.000 0.000) 6.468 4.293 ( -11.520 -0.000 -0.000) 11.520 4.519 ( -1.462 -0.000 -0.000) 1.462 4.819 ( 10.442 0.000 0.000) 10.442 4.858 ( 5.632 0.000 0.000) 5.632 4.956 ( 5.613 0.000 0.000) 5.613 6.879 ( 16.639 0.000 0.000) 16.639 6.928 ( -24.569 -0.000 -0.000) 24.569 6.971 ( 10.835 0.000 0.000) 10.835 7.038 ( -16.060 -0.000 -0.000) 16.060 8.301 ( -5.376 -0.000 -0.000) 5.376 8.843 ( 6.524 0.000 0.000) 6.524 9.551 ( 8.634 0.000 0.000) 8.634 10.184 ( 49.806 0.000 0.000) 49.806 11.959 ( -20.313 -0.000 -0.000) 20.313 12.170 ( 2.161 0.000 0.000) 2.161 12.361 ( -13.559 -0.000 -0.000) 13.559 13.173 ( -14.257 -0.000 -0.000) 14.257 13.233 ( -5.535 -0.000 -0.000) 5.535 13.708 ( 11.644 0.000 0.000) 11.644 13.996 ( -6.965 -0.000 -0.000) 6.965 15.478 ( 0.938 0.000 0.000) 0.938 15.920 ( 6.592 0.000 0.000) 6.592 16.040 ( -0.855 -0.000 -0.000) 0.855 16.046 ( 0.636 0.000 0.000) 0.636 16.335 ( -1.084 -0.000 -0.000) 1.084 16.437 ( 6.593 0.000 0.000) 6.593 16.838 ( -10.602 -0.000 -0.000) 10.602 16.845 ( -2.460 -0.000 -0.000) 2.460 16.898 ( -0.586 -0.000 -0.000) 0.586 17.073 ( -2.868 -0.000 -0.000) 2.868 17.827 ( -0.399 -0.000 -0.000) 0.399 17.981 ( -4.524 -0.000 -0.000) 4.524 18.414 ( 0.601 0.000 0.000) 0.601 18.907 ( 0.138 0.000 0.000) 0.138 ======================= Grid point 198 (130/160) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -1.174 -0.000 -21.153) 21.185 2.205 ( -8.732 -0.000 -23.105) 24.700 2.761 ( -3.771 0.000 0.635) 3.824 3.191 ( 13.059 0.000 10.152) 16.541 3.564 ( -9.021 -0.000 -5.978) 10.822 3.759 ( 1.287 0.000 0.154) 1.297 4.033 ( 4.529 -0.000 -10.304) 11.256 4.177 ( -3.453 -0.000 -9.778) 10.370 4.188 ( 3.211 -0.000 -7.564) 8.217 4.357 ( -3.905 -0.000 -5.954) 7.121 4.912 ( -3.034 -0.000 -2.554) 3.966 5.253 ( -1.995 0.000 2.795) 3.434 5.494 ( 6.583 0.000 5.734) 8.730 5.789 ( -8.389 0.000 7.063) 10.966 5.878 ( -18.518 -0.000 -2.294) 18.660 7.749 ( 7.222 0.000 5.001) 8.785 7.757 ( 10.481 0.000 1.478) 10.585 8.230 ( 2.583 0.000 8.251) 8.646 9.070 ( 4.302 -0.000 -6.920) 8.148 9.445 ( -35.786 -0.000 -22.077) 42.048 9.830 ( 1.776 -0.000 -8.155) 8.347 11.367 ( -15.604 0.000 1.217) 15.651 12.386 ( -2.204 0.000 7.850) 8.153 12.538 ( 17.258 0.000 2.997) 17.516 12.647 ( -6.781 0.000 7.602) 10.187 13.277 ( 1.833 0.000 0.359) 1.867 13.806 ( -0.287 0.000 8.136) 8.141 14.119 ( 5.522 -0.000 -5.072) 7.498 15.317 ( -4.300 0.000 0.471) 4.326 15.833 ( -6.114 0.000 0.576) 6.141 15.951 ( -1.467 0.000 0.763) 1.654 16.038 ( -1.032 -0.000 -0.090) 1.036 16.390 ( 1.754 0.000 1.406) 2.248 16.478 ( 4.129 0.000 -0.042) 4.129 16.764 ( -2.578 -0.000 -0.961) 2.751 16.806 ( 3.769 -0.000 -1.439) 4.035 17.261 ( 2.026 0.000 9.942) 10.147 17.319 ( 9.197 0.000 5.043) 10.489 17.637 ( -6.012 -0.000 -2.575) 6.541 17.728 ( 1.361 -0.000 -6.853) 6.987 18.446 ( 3.778 -0.000 -1.548) 4.082 19.026 ( -0.628 0.000 7.935) 7.960 ======================= Grid point 199 (131/160) ======================= q-point: ( 0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 3.805 -0.000 -0.000) 3.805 2.614 ( 0.024 0.000 0.000) 0.024 3.239 ( 4.872 0.000 0.000) 4.872 3.262 ( 2.877 -0.000 -0.000) 2.877 3.690 ( 3.231 -0.000 0.000) 3.231 3.727 ( -1.903 0.000 -0.000) 1.903 3.962 ( 3.470 -0.000 -0.000) 3.470 4.047 ( -4.917 -0.000 -0.000) 4.917 4.284 ( 4.025 -0.000 -0.000) 4.025 4.384 ( -5.982 0.000 0.000) 5.982 5.366 ( 4.183 -0.000 -0.000) 4.183 5.432 ( -2.936 -0.000 -0.000) 2.936 5.856 ( 7.839 0.000 -0.000) 7.839 5.966 ( -2.678 0.000 0.000) 2.678 6.230 ( -0.738 -0.000 -0.000) 0.738 6.257 ( -1.805 0.000 -0.000) 1.805 6.924 ( 21.206 -0.000 -0.000) 21.206 7.366 ( -24.126 -0.000 -0.000) 24.126 10.204 ( 7.883 0.000 -0.000) 7.883 10.251 ( 1.025 -0.000 0.000) 1.025 10.913 ( 8.283 -0.000 0.000) 8.283 11.009 ( -1.987 0.000 -0.000) 1.987 11.816 ( 21.108 -0.000 -0.000) 21.108 12.282 ( -24.097 -0.000 -0.000) 24.097 12.912 ( 19.053 -0.000 -0.000) 19.053 13.297 ( -19.681 -0.000 0.000) 19.681 14.311 ( 8.189 0.000 -0.000) 8.189 14.467 ( -8.246 -0.000 -0.000) 8.246 15.596 ( 3.661 0.000 -0.000) 3.661 15.599 ( 3.233 -0.000 -0.000) 3.233 15.820 ( 7.502 -0.000 -0.000) 7.502 15.878 ( 1.878 -0.000 -0.000) 1.878 15.963 ( -6.159 0.000 -0.000) 6.159 15.982 ( -8.850 0.000 -0.000) 8.850 16.976 ( 0.008 -0.000 -0.000) 0.008 16.978 ( -0.213 0.000 0.000) 0.213 17.682 ( 2.618 0.000 -0.000) 2.618 17.741 ( -3.431 -0.000 -0.000) 3.431 17.922 ( 2.390 -0.000 -0.000) 2.390 17.991 ( -4.762 0.000 0.000) 4.762 18.277 ( 4.435 0.000 -0.000) 4.435 18.385 ( -6.840 -0.000 -0.000) 6.840 ======================= Grid point 207 (132/160) ======================= q-point: ( 0.40 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -0.000 0.123 -0.575) 0.588 2.774 ( 0.000 -9.640 -10.032) 13.913 2.830 ( -0.000 26.856 -6.534) 27.639 3.078 ( -0.000 -5.991 -19.047) 19.967 3.325 ( -0.000 15.993 4.064) 16.501 3.842 ( -0.000 5.488 -0.520) 5.512 4.121 ( -0.000 9.159 9.846) 13.447 4.135 ( -0.000 -3.512 -5.366) 6.413 4.314 ( 0.000 -21.781 6.669) 22.779 4.569 ( -0.000 6.226 3.440) 7.113 4.968 ( -0.000 -4.478 -14.161) 14.852 5.092 ( 0.000 -4.150 -0.034) 4.150 5.636 ( 0.000 -2.456 10.744) 11.021 5.742 ( 0.000 -15.576 -8.250) 17.626 6.145 ( -0.000 24.044 3.918) 24.361 6.258 ( -0.000 5.753 4.851) 7.525 7.142 ( -0.000 24.195 -1.513) 24.243 8.321 ( 0.000 -6.189 4.763) 7.810 8.680 ( -0.000 12.323 -3.246) 12.743 9.990 ( 0.000 -17.035 -5.635) 17.943 10.929 ( 0.000 -17.995 -9.297) 20.255 10.987 ( -0.000 21.453 -3.918) 21.808 11.355 ( -0.000 17.281 8.432) 19.229 11.563 ( 0.000 -6.398 5.692) 8.564 13.529 ( 0.000 -5.949 3.914) 7.122 13.748 ( 0.000 -6.560 -4.232) 7.807 14.170 ( -0.000 2.270 -1.939) 2.985 14.572 ( 0.000 -15.972 4.854) 16.693 14.893 ( 0.000 -4.903 0.539) 4.933 15.400 ( -0.000 16.820 0.048) 16.820 15.467 ( -0.000 5.492 1.463) 5.683 16.132 ( -0.000 10.801 -3.241) 11.277 16.557 ( -0.000 3.920 2.237) 4.513 16.653 ( 0.000 -0.001 0.511) 0.511 16.689 ( 0.000 -15.548 0.176) 15.549 17.038 ( -0.000 0.770 -0.059) 0.772 17.213 ( 0.000 -12.321 5.655) 13.557 17.839 ( 0.000 -7.372 -3.182) 8.029 17.940 ( 0.000 -10.579 1.189) 10.646 18.139 ( 0.000 -5.583 -2.638) 6.175 18.505 ( -0.000 3.712 -4.732) 6.014 18.741 ( 0.000 2.094 6.416) 6.749 ======================= Grid point 210 (133/160) ======================= q-point: (-0.49 -0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -18.438 -2.225 -5.635) 19.408 2.669 ( -0.536 -2.503 -9.945) 10.269 2.933 ( -4.647 -9.539 -16.671) 19.762 3.368 ( 2.209 22.360 -5.418) 23.113 3.538 ( 1.540 2.506 8.368) 8.870 3.718 ( 6.763 -15.738 7.822) 18.831 3.947 ( 5.664 -0.720 -7.758) 9.632 4.103 ( -4.574 2.070 -4.352) 6.645 4.446 ( -5.610 11.250 8.553) 15.205 4.694 ( 0.781 2.723 -2.476) 3.762 4.858 ( 2.059 -0.363 -8.227) 8.489 5.039 ( 0.530 -3.121 -5.776) 6.586 5.427 ( -5.717 -12.204 -6.513) 14.968 5.593 ( -3.478 -5.348 9.689) 11.600 6.106 ( -2.679 -6.052 1.967) 6.905 6.997 ( -0.508 34.494 5.581) 34.946 7.539 ( 3.140 17.751 -1.596) 18.098 8.130 ( 7.270 -4.433 6.888) 10.952 9.045 ( -14.995 7.210 -5.934) 17.665 9.693 ( -5.535 -15.970 -7.010) 18.297 10.473 ( 2.364 -20.060 -6.174) 21.121 11.200 ( -6.368 -1.239 -8.569) 10.747 11.736 ( -1.104 16.641 11.036) 19.998 11.833 ( -5.312 20.666 5.668) 22.078 13.179 ( 14.885 -10.733 2.776) 18.560 13.649 ( -8.823 -13.215 -4.631) 16.551 14.160 ( 3.551 -12.548 3.181) 13.423 14.202 ( 1.849 -4.266 1.181) 4.797 14.949 ( -5.816 4.195 0.753) 7.211 15.650 ( -1.161 9.640 1.141) 9.777 15.763 ( -3.285 13.605 0.073) 13.997 16.285 ( 2.991 -8.155 -0.885) 8.731 16.335 ( 1.009 -1.178 -4.073) 4.359 16.568 ( 5.716 1.822 4.564) 7.538 16.639 ( 2.455 0.906 -1.002) 2.802 17.006 ( -0.727 -7.422 3.403) 8.198 17.059 ( -2.300 -0.808 4.678) 5.275 17.645 ( 1.197 -11.113 0.910) 11.215 17.750 ( -2.193 -7.885 -1.288) 8.285 18.007 ( 1.156 -5.911 -2.923) 6.695 18.534 ( 2.848 2.054 -4.043) 5.356 18.773 ( 1.568 3.033 6.878) 7.679 ======================= Grid point 219 (134/160) ======================= q-point: (-0.37 -0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 2.680 -3.512 -19.300) 19.799 2.630 ( -18.769 -1.067 -8.637) 20.688 2.843 ( -1.513 -9.381 -8.764) 12.927 3.124 ( 10.930 -10.157 8.202) 17.026 3.501 ( -0.768 -2.501 12.781) 13.046 3.763 ( 1.143 7.604 -7.438) 10.699 3.951 ( 1.507 9.903 -2.357) 10.291 4.186 ( -0.013 1.074 -2.048) 2.313 4.599 ( 2.593 -6.444 -7.248) 10.039 4.640 ( 2.472 -5.126 -8.852) 10.523 4.848 ( 0.910 11.429 1.367) 11.546 5.111 ( -0.956 6.627 -5.395) 8.599 5.407 ( 0.224 -3.295 3.850) 5.073 5.635 ( -14.058 -2.782 7.355) 16.108 6.066 ( -11.778 -8.688 -0.778) 14.657 7.482 ( 5.547 15.398 5.726) 17.339 7.714 ( 7.897 4.594 -2.889) 9.582 7.984 ( 3.831 7.328 8.245) 11.677 9.226 ( 2.542 -4.487 -2.970) 5.951 9.836 ( -33.105 -3.149 -13.789) 36.000 10.080 ( 3.939 -11.787 -4.278) 13.144 11.375 ( -14.575 -0.631 -3.138) 14.922 12.052 ( 3.658 14.527 8.659) 17.303 12.331 ( -7.570 14.147 3.874) 16.506 12.629 ( 17.203 -11.224 4.878) 21.112 13.497 ( -2.143 -13.015 -6.307) 14.621 13.787 ( -0.661 -12.380 8.037) 14.775 14.168 ( 5.167 2.200 -2.383) 6.101 15.214 ( -7.184 7.032 0.469) 10.064 15.854 ( -1.609 6.846 0.081) 7.033 15.985 ( -3.298 -12.187 0.688) 12.644 16.001 ( -2.017 3.796 0.253) 4.306 16.341 ( 3.579 2.044 -1.733) 4.471 16.483 ( 4.784 0.248 2.071) 5.219 16.695 ( 1.751 8.256 -2.474) 8.795 16.881 ( 0.093 -5.147 1.097) 5.263 17.089 ( -0.272 -0.520 7.305) 7.328 17.370 ( 4.776 -10.606 1.873) 11.782 17.703 ( -4.409 -2.665 -2.822) 5.874 17.880 ( 1.284 -3.783 -2.969) 4.977 18.496 ( 3.807 0.800 -4.114) 5.662 18.829 ( -0.682 3.373 7.598) 8.341 ======================= Grid point 221 (135/160) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -0.000 16.123 -0.000) 16.123 2.306 ( -0.000 29.007 -0.000) 29.007 2.895 ( -0.000 15.080 -0.000) 15.080 3.250 ( 0.000 -19.594 0.000) 19.594 3.387 ( 0.000 -3.641 0.000) 3.641 3.712 ( -0.000 3.606 -0.000) 3.606 3.939 ( -0.000 1.606 -0.000) 1.606 4.202 ( -0.000 5.152 -0.000) 5.152 4.399 ( -0.000 5.105 -0.000) 5.105 4.589 ( 0.000 -11.246 0.000) 11.246 5.079 ( -0.000 44.493 -0.000) 44.493 5.159 ( 0.000 -3.052 0.000) 3.052 5.263 ( 0.000 -5.961 0.000) 5.961 5.524 ( 0.000 -2.332 0.000) 2.332 6.360 ( 0.000 -17.825 0.000) 17.825 6.381 ( 0.000 -5.111 0.000) 5.111 6.713 ( -0.000 8.227 -0.000) 8.227 8.376 ( -0.000 18.055 -0.000) 18.055 8.393 ( 0.000 -4.406 0.000) 4.406 10.374 ( -0.000 33.089 -0.000) 33.089 10.412 ( 0.000 -17.128 0.000) 17.128 10.722 ( -0.000 26.471 -0.000) 26.471 11.569 ( 0.000 -25.354 0.000) 25.354 11.837 ( 0.000 -17.352 0.000) 17.352 13.596 ( 0.000 -4.193 0.000) 4.193 13.686 ( -0.000 15.029 -0.000) 15.029 14.141 ( -0.000 2.249 -0.000) 2.249 14.785 ( 0.000 -8.122 0.000) 8.122 15.086 ( 0.000 -13.814 0.000) 13.814 15.092 ( -0.000 12.417 -0.000) 12.417 15.452 ( 0.000 -5.008 0.000) 5.008 15.941 ( -0.000 8.314 -0.000) 8.314 16.513 ( 0.000 -1.582 0.000) 1.582 16.668 ( 0.000 -1.549 0.000) 1.549 16.934 ( 0.000 -8.396 0.000) 8.396 16.954 ( -0.000 7.938 -0.000) 7.938 17.434 ( 0.000 -12.428 0.000) 12.428 18.020 ( 0.000 -4.717 0.000) 4.717 18.065 ( 0.000 -1.557 0.000) 1.557 18.255 ( 0.000 -4.160 0.000) 4.160 18.557 ( -0.000 4.915 -0.000) 4.915 18.601 ( 0.000 -4.197 0.000) 4.197 ======================= Grid point 222 (136/160) ======================= q-point: (-0.25 -0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 10.975 -0.000 -9.089) 14.250 2.563 ( 14.347 -0.000 -12.761) 19.201 2.860 ( 3.091 0.000 2.331) 3.871 2.951 ( -10.990 -0.000 -10.289) 15.055 3.608 ( -8.640 0.000 14.931) 17.251 3.828 ( -4.390 -0.000 -6.041) 7.468 4.071 ( 1.108 -0.000 -0.949) 1.459 4.205 ( 4.027 0.000 5.046) 6.456 4.327 ( 6.454 -0.000 -13.972) 15.390 4.533 ( 4.013 -0.000 -6.192) 7.378 5.033 ( 1.178 -0.000 -5.790) 5.908 5.147 ( 2.009 0.000 7.913) 8.164 5.250 ( 8.366 0.000 4.448) 9.475 5.960 ( -22.632 0.000 3.262) 22.866 6.295 ( -19.010 -0.000 -3.544) 19.337 7.470 ( 9.982 0.000 6.200) 11.751 7.492 ( 15.097 0.000 -0.040) 15.097 8.134 ( -3.646 0.000 3.351) 4.952 9.066 ( 6.065 -0.000 -3.130) 6.825 9.853 ( 6.316 -0.000 -2.441) 6.771 10.517 ( -37.180 -0.000 -15.632) 40.333 11.685 ( -16.349 -0.000 -2.633) 16.559 11.918 ( 29.156 0.000 11.301) 31.270 12.288 ( -1.942 0.000 6.748) 7.022 12.702 ( -11.223 0.000 4.310) 12.022 13.291 ( 4.101 -0.000 -2.649) 4.882 13.742 ( -5.690 0.000 3.109) 6.483 14.067 ( 8.287 -0.000 -3.168) 8.872 15.399 ( -4.266 -0.000 -0.193) 4.270 15.947 ( -4.831 -0.000 -0.426) 4.849 15.990 ( -4.482 0.000 1.203) 4.641 16.051 ( -0.739 0.000 0.507) 0.896 16.339 ( 1.049 0.000 0.690) 1.256 16.406 ( 2.889 -0.000 -0.282) 2.903 16.791 ( 1.138 -0.000 -1.528) 1.905 16.844 ( -2.249 -0.000 -1.681) 2.808 17.052 ( 11.072 0.000 2.423) 11.334 17.069 ( 0.569 0.000 6.407) 6.432 17.785 ( -4.792 -0.000 -2.179) 5.265 17.809 ( 1.402 -0.000 -4.183) 4.411 18.437 ( 2.964 -0.000 -3.900) 4.898 18.909 ( -2.758 0.000 7.325) 7.827 ======================= Grid point 224 (137/160) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.000 -0.000 -22.065) 22.065 1.616 ( -0.000 -0.000 -26.486) 26.486 2.701 ( 0.000 0.000 3.994) 3.994 2.776 ( -0.000 -0.000 -41.459) 41.459 3.768 ( 0.000 0.000 14.723) 14.723 3.929 ( -0.000 -0.000 -11.888) 11.888 3.935 ( -0.000 -0.000 -5.206) 5.206 4.039 ( 0.000 0.000 1.353) 1.353 4.092 ( 0.000 0.000 2.075) 2.075 4.112 ( -0.000 -0.000 -5.346) 5.346 4.781 ( -0.000 -0.000 -0.342) 0.342 5.279 ( -0.000 -0.000 -8.336) 8.336 5.311 ( 0.000 0.000 6.006) 6.006 5.708 ( -0.000 -0.000 -7.350) 7.350 5.727 ( 0.000 0.000 10.072) 10.072 7.946 ( 0.000 0.000 0.177) 0.177 7.979 ( 0.000 0.000 4.154) 4.154 8.171 ( -0.000 -0.000 -27.298) 27.298 8.580 ( 0.000 0.000 11.271) 11.271 8.975 ( -0.000 -0.000 -11.187) 11.187 9.628 ( -0.000 -0.000 -12.196) 12.196 11.023 ( 0.000 0.000 2.654) 2.654 12.481 ( 0.000 0.000 6.569) 6.569 12.612 ( -0.000 -0.000 -12.844) 12.844 12.713 ( 0.000 0.000 10.820) 10.820 13.569 ( 0.000 0.000 12.349) 12.349 13.989 ( 0.000 0.000 9.392) 9.392 14.111 ( -0.000 -0.000 -6.262) 6.262 15.236 ( 0.000 0.000 0.976) 0.976 15.729 ( 0.000 0.000 0.724) 0.724 15.959 ( 0.000 0.000 1.886) 1.886 16.009 ( -0.000 -0.000 -0.435) 0.435 16.450 ( 0.000 0.000 0.297) 0.297 16.591 ( 0.000 0.000 2.346) 2.346 16.726 ( 0.000 0.000 2.427) 2.427 16.981 ( 0.000 0.000 1.031) 1.031 17.327 ( -0.000 -0.000 -4.736) 4.736 17.499 ( 0.000 0.000 7.323) 7.323 17.622 ( -0.000 -0.000 -4.815) 4.815 17.644 ( 0.000 0.000 6.506) 6.506 18.522 ( -0.000 -0.000 -0.493) 0.493 19.222 ( 0.000 0.000 9.759) 9.759 ======================= Grid point 230 (138/160) ======================= q-point: ( 0.37 -0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -17.569 2.494 -0.000) 17.745 2.894 ( -0.837 22.097 -0.000) 22.113 2.962 ( -4.727 -7.113 0.000) 8.540 3.240 ( 2.052 -3.087 0.000) 3.707 3.318 ( -3.701 12.352 -0.000) 12.895 3.890 ( 7.732 -4.341 0.000) 8.867 3.913 ( -3.330 8.394 -0.000) 9.030 4.173 ( 2.547 -0.386 0.000) 2.577 4.325 ( -7.882 -16.934 0.000) 18.678 4.552 ( -1.137 8.542 -0.000) 8.617 4.999 ( 7.214 -1.437 0.000) 7.356 5.194 ( -2.422 -7.595 0.000) 7.972 5.520 ( -2.624 0.068 -0.000) 2.624 5.854 ( -4.565 -5.563 0.000) 7.197 6.159 ( -1.807 -4.441 0.000) 4.795 6.193 ( -2.379 25.443 -0.000) 25.554 7.120 ( 4.412 24.607 -0.000) 24.999 8.195 ( 7.811 -7.005 0.000) 10.492 8.873 ( -16.158 13.260 -0.000) 20.902 10.116 ( -7.046 -18.164 0.000) 19.482 10.890 ( 8.704 4.582 -0.000) 9.836 11.147 ( -4.787 0.232 -0.000) 4.792 11.305 ( -5.858 23.757 -0.000) 24.469 11.576 ( -7.909 -13.673 0.000) 15.796 13.334 ( 13.602 -7.420 0.000) 15.494 13.901 ( -8.649 -3.914 0.000) 9.493 14.148 ( 4.428 3.086 -0.000) 5.397 14.494 ( 2.822 -17.132 0.000) 17.363 14.948 ( -6.130 -5.024 0.000) 7.926 15.444 ( -4.457 15.606 -0.000) 16.230 15.476 ( -2.348 5.627 -0.000) 6.097 16.149 ( 1.681 12.098 -0.000) 12.214 16.458 ( 7.291 2.277 -0.000) 7.638 16.529 ( 8.061 -3.315 0.000) 8.716 16.762 ( -3.297 -11.610 0.000) 12.069 17.047 ( -0.851 1.077 -0.000) 1.373 17.172 ( -1.618 -13.146 0.000) 13.245 17.887 ( 1.497 -11.403 0.000) 11.501 17.908 ( -0.972 -6.458 0.000) 6.531 18.159 ( 0.965 -5.898 0.000) 5.976 18.546 ( 4.783 3.123 -0.000) 5.712 18.622 ( 1.295 3.035 -0.000) 3.300 ======================= Grid point 233 (139/160) ======================= q-point: ( 0.49 -0.49 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -12.909 0.521 -0.000) 12.920 2.901 ( -3.074 -2.991 0.000) 4.288 3.125 ( -5.636 -6.882 0.000) 8.895 3.295 ( 7.880 1.451 -0.000) 8.013 3.434 ( 1.036 -7.377 0.000) 7.449 3.586 ( -2.130 1.390 -0.000) 2.543 3.918 ( 4.161 0.418 0.000) 4.182 4.244 ( -3.514 -4.683 0.000) 5.855 4.405 ( -2.505 17.001 -0.000) 17.185 4.716 ( 1.244 2.867 -0.000) 3.125 4.853 ( 7.129 -0.882 0.000) 7.183 5.068 ( 3.042 -0.026 0.000) 3.042 5.512 ( -0.935 -6.533 0.000) 6.600 5.714 ( -15.543 -11.651 0.000) 19.425 6.189 ( -8.434 -2.941 0.000) 8.932 6.943 ( 0.389 30.968 -0.000) 30.970 7.503 ( 3.204 21.706 -0.000) 21.942 7.855 ( 13.391 -5.490 0.000) 14.472 9.311 ( -6.584 -0.326 -0.000) 6.592 10.083 ( -27.259 -9.014 0.000) 28.711 10.438 ( 6.783 -18.343 0.000) 19.557 11.539 ( -13.784 -7.062 0.000) 15.488 11.547 ( 3.586 21.391 -0.000) 21.689 11.946 ( -12.060 18.314 -0.000) 21.928 12.817 ( 19.509 -11.014 0.000) 22.403 13.876 ( -7.791 -11.904 0.000) 14.227 14.016 ( 5.638 -20.632 0.000) 21.388 14.125 ( 5.593 3.870 -0.000) 6.801 15.093 ( -9.532 3.174 -0.000) 10.047 15.674 ( -2.220 9.252 -0.000) 9.515 15.841 ( -4.578 11.252 -0.000) 12.148 16.226 ( 3.042 -5.928 0.000) 6.663 16.339 ( 8.867 2.450 -0.000) 9.200 16.383 ( 2.249 4.451 -0.000) 4.987 16.610 ( 3.236 -1.408 0.000) 3.529 16.996 ( -3.712 -9.134 0.000) 9.860 17.060 ( -1.641 -2.089 0.000) 2.656 17.604 ( 2.300 -12.749 0.000) 12.955 17.821 ( -3.206 -5.355 0.000) 6.241 17.997 ( 2.858 -5.343 0.000) 6.059 18.520 ( 4.812 2.928 -0.000) 5.633 18.664 ( 0.494 3.700 -0.000) 3.733 ======================= Grid point 244 (140/160) ======================= q-point: (-0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 16.812 -11.209 0.000) 20.207 2.654 ( 11.762 0.474 0.000) 11.772 3.033 ( -1.357 -14.784 0.000) 14.846 3.177 ( -5.885 -1.674 0.000) 6.119 3.375 ( -14.738 -2.571 0.000) 14.960 3.861 ( 1.806 13.143 -0.000) 13.267 3.912 ( -2.370 0.872 -0.000) 2.525 4.211 ( -0.651 -3.289 0.000) 3.353 4.587 ( 8.839 -7.920 0.000) 11.868 4.623 ( 6.177 -1.801 0.000) 6.435 4.764 ( 1.258 16.044 -0.000) 16.094 5.103 ( 8.460 8.360 -0.000) 11.894 5.319 ( 2.616 -10.310 0.000) 10.636 5.963 ( -24.851 -3.715 0.000) 25.127 6.372 ( -17.202 -2.530 0.000) 17.387 7.277 ( 9.445 12.214 -0.000) 15.440 7.505 ( 15.579 -1.321 0.000) 15.635 7.926 ( -3.925 16.556 -0.000) 17.015 9.172 ( 5.229 -7.078 0.000) 8.800 9.992 ( 7.935 -10.882 0.000) 13.467 10.698 ( -40.296 -1.109 -0.000) 40.311 11.682 ( 23.583 9.736 -0.000) 25.514 11.749 ( -18.316 -3.090 0.000) 18.575 12.286 ( 10.260 -5.795 0.000) 11.784 12.503 ( -12.736 12.552 -0.000) 17.882 13.510 ( 6.240 -16.022 0.000) 17.194 13.796 ( -6.246 -7.385 0.000) 9.672 14.073 ( 6.812 1.960 -0.000) 7.089 15.346 ( -6.525 4.252 -0.000) 7.789 15.894 ( -2.180 7.446 -0.000) 7.759 16.029 ( -1.400 2.317 -0.000) 2.707 16.060 ( -4.876 -9.212 0.000) 10.423 16.280 ( 3.986 4.375 -0.000) 5.919 16.383 ( 3.551 2.375 -0.000) 4.272 16.660 ( 4.599 11.711 -0.000) 12.582 16.899 ( -2.855 -7.956 0.000) 8.452 17.027 ( -1.034 -2.687 0.000) 2.879 17.261 ( 4.785 -14.580 0.000) 15.346 17.825 ( -4.657 -1.831 0.000) 5.004 17.872 ( 1.957 -2.058 0.000) 2.840 18.481 ( 3.492 1.062 -0.000) 3.650 18.772 ( -2.396 4.558 -0.000) 5.149 ======================= Grid point 246 (141/160) ======================= q-point: (-0.40 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -0.000 -1.405 -16.530) 16.590 2.212 ( -0.000 -8.644 -26.276) 27.661 2.622 ( -0.000 1.437 1.495) 2.074 3.536 ( -0.000 -9.579 -18.238) 20.601 3.652 ( 0.000 -5.553 4.307) 7.028 3.758 ( -0.000 12.909 -6.173) 14.309 3.811 ( 0.000 3.204 8.954) 9.510 4.062 ( -0.000 8.448 -7.122) 11.049 4.393 ( -0.000 -6.562 -10.575) 12.446 4.525 ( 0.000 -16.976 -11.771) 20.658 4.782 ( -0.000 1.091 -3.375) 3.547 5.007 ( -0.000 14.858 6.454) 16.200 5.285 ( -0.000 7.938 -3.599) 8.716 5.631 ( 0.000 -7.913 10.576) 13.209 5.922 ( 0.000 -9.703 -1.812) 9.871 7.677 ( -0.000 19.468 5.364) 20.193 7.839 ( -0.000 8.610 2.372) 8.931 8.335 ( 0.000 0.858 10.414) 10.449 8.673 ( -0.000 0.318 -22.104) 22.106 9.265 ( 0.000 -9.617 -7.752) 12.353 9.982 ( 0.000 -11.851 -11.127) 16.256 10.997 ( -0.000 -0.074 -1.619) 1.620 12.235 ( -0.000 11.931 7.369) 14.023 12.306 ( -0.000 15.998 8.605) 18.165 13.019 ( 0.000 -13.139 -10.721) 16.958 13.391 ( 0.000 -5.716 10.991) 12.389 13.979 ( 0.000 -15.217 9.410) 17.891 14.196 ( -0.000 1.707 -4.453) 4.769 15.071 ( -0.000 9.975 0.983) 10.023 15.849 ( -0.000 6.952 1.740) 7.167 15.941 ( 0.000 -17.640 0.706) 17.654 15.952 ( -0.000 6.735 -0.181) 6.738 16.356 ( -0.000 4.961 -3.227) 5.919 16.671 ( -0.000 3.750 -1.280) 3.963 16.688 ( 0.000 -8.781 6.487) 10.917 16.972 ( 0.000 -1.148 0.585) 1.288 17.216 ( 0.000 5.372 7.320) 9.080 17.496 ( 0.000 -8.493 1.468) 8.618 17.589 ( 0.000 -4.330 3.245) 5.411 17.815 ( 0.000 -5.100 -6.017) 7.888 18.534 ( -0.000 0.820 -1.834) 2.009 19.000 ( 0.000 2.696 9.181) 9.568 ======================= Grid point 247 (142/160) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 20.769 0.000 0.000) 20.769 2.308 ( 22.016 0.000 0.000) 22.016 2.944 ( -7.029 -0.000 -0.000) 7.029 3.235 ( 0.354 0.000 0.000) 0.354 3.584 ( -8.801 -0.000 -0.000) 8.801 3.912 ( 17.538 0.000 0.000) 17.538 4.063 ( -11.443 -0.000 -0.000) 11.443 4.078 ( -1.287 -0.000 -0.000) 1.287 4.361 ( 7.467 0.000 0.000) 7.467 4.508 ( 1.510 0.000 0.000) 1.510 4.962 ( 5.167 0.000 0.000) 5.167 5.011 ( 9.913 0.000 0.000) 9.913 5.048 ( 3.929 0.000 0.000) 3.929 6.433 ( -27.129 -0.000 -0.000) 27.129 6.706 ( -18.829 -0.000 -0.000) 18.829 7.168 ( 13.824 0.000 0.000) 13.824 7.213 ( 14.338 0.000 0.000) 14.338 8.199 ( -5.410 -0.000 -0.000) 5.410 8.970 ( 6.815 0.000 0.000) 6.815 9.719 ( 8.834 0.000 0.000) 8.834 11.064 ( 42.608 0.000 0.000) 42.608 11.418 ( -35.312 -0.000 -0.000) 35.312 12.066 ( -17.409 -0.000 -0.000) 17.409 12.201 ( 1.195 0.000 0.000) 1.195 12.903 ( -13.891 -0.000 -0.000) 13.891 13.223 ( 3.375 0.000 0.000) 3.375 13.859 ( -7.541 -0.000 -0.000) 7.541 13.922 ( 10.597 0.000 0.000) 10.597 15.466 ( -2.161 -0.000 -0.000) 2.161 16.012 ( 1.641 0.000 0.000) 1.641 16.015 ( -1.701 -0.000 -0.000) 1.701 16.052 ( -0.068 -0.000 -0.000) 0.068 16.325 ( -0.009 -0.000 -0.000) 0.009 16.431 ( -4.760 -0.000 -0.000) 4.760 16.810 ( -1.091 -0.000 -0.000) 1.091 16.828 ( 8.447 0.000 0.000) 8.447 16.885 ( -0.794 -0.000 -0.000) 0.794 17.026 ( -2.004 -0.000 -0.000) 2.004 17.830 ( 0.684 0.000 0.000) 0.684 17.898 ( -4.457 -0.000 -0.000) 4.457 18.438 ( 1.989 0.000 0.000) 1.989 18.882 ( -2.546 -0.000 -0.000) 2.546 ======================= Grid point 249 (143/160) ======================= q-point: (-0.28 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -14.257 -0.000 -18.689) 23.506 2.116 ( -0.597 -0.000 -23.935) 23.943 2.682 ( -3.996 0.000 1.371) 4.224 3.407 ( 8.756 0.000 12.387) 15.169 3.466 ( -1.718 -0.000 -19.641) 19.716 3.813 ( 3.127 0.000 4.078) 5.139 4.110 ( -2.388 -0.000 -9.880) 10.164 4.127 ( 5.199 -0.000 -9.657) 10.968 4.234 ( 1.078 -0.000 -10.363) 10.419 4.295 ( -2.700 -0.000 -9.678) 10.048 4.839 ( -4.005 -0.000 -2.422) 4.681 5.217 ( -1.339 0.000 2.772) 3.079 5.527 ( -1.828 0.000 12.742) 12.872 5.560 ( -13.802 -0.000 -3.387) 14.211 5.748 ( 2.216 0.000 0.971) 2.419 7.856 ( 3.939 0.000 4.914) 6.298 7.883 ( 3.367 0.000 2.173) 4.007 8.305 ( 4.287 0.000 11.090) 11.890 8.886 ( -21.572 -0.000 -23.658) 32.017 9.138 ( 2.670 -0.000 -7.809) 8.253 9.852 ( 0.656 -0.000 -10.381) 10.402 11.104 ( -10.812 0.000 0.824) 10.843 12.366 ( -0.189 0.000 6.024) 6.027 12.546 ( -3.872 0.000 9.226) 10.006 12.780 ( 8.342 -0.000 -7.050) 10.922 13.308 ( 1.389 0.000 7.844) 7.966 13.805 ( -0.009 0.000 9.461) 9.461 14.193 ( 2.408 -0.000 -4.584) 5.178 15.247 ( -2.786 0.000 0.697) 2.871 15.743 ( -3.175 0.000 0.844) 3.286 15.932 ( -0.638 0.000 1.246) 1.400 16.023 ( -0.555 -0.000 -0.293) 0.627 16.417 ( 1.003 0.000 1.943) 2.187 16.540 ( 2.280 0.000 0.614) 2.361 16.727 ( -1.255 -0.000 -1.323) 1.824 16.898 ( 5.368 -0.000 -0.588) 5.400 17.291 ( 1.064 0.000 10.751) 10.803 17.424 ( 0.345 0.000 4.200) 4.215 17.538 ( -2.304 -0.000 -1.149) 2.575 17.749 ( 0.853 -0.000 -6.983) 7.035 18.513 ( 2.840 -0.000 -1.675) 3.298 19.024 ( 0.278 0.000 9.436) 9.440 ======================= Grid point 261 (144/160) ======================= q-point: (-0.54 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.000 -2.286 -5.064) 5.555 2.655 ( -0.000 -2.093 -6.068) 6.419 2.895 ( -0.000 -10.191 -21.627) 23.908 3.385 ( -0.000 25.144 -5.646) 25.770 3.548 ( 0.000 5.943 8.169) 10.102 3.816 ( 0.000 -23.442 10.372) 25.634 4.010 ( -0.000 9.695 -6.938) 11.921 4.046 ( -0.000 -5.417 -9.097) 10.588 4.373 ( -0.000 14.451 8.872) 16.958 4.698 ( -0.000 3.833 0.390) 3.853 4.886 ( -0.000 -2.972 -11.936) 12.301 5.039 ( -0.000 -0.929 -4.652) 4.743 5.365 ( 0.000 -14.720 -7.767) 16.643 5.565 ( 0.000 -5.016 10.491) 11.628 6.083 ( 0.000 -6.532 2.758) 7.091 6.992 ( -0.000 35.407 5.499) 35.831 7.569 ( -0.000 17.196 -1.226) 17.239 8.200 ( 0.000 -4.955 7.073) 8.636 8.886 ( -0.000 7.914 -7.809) 11.118 9.651 ( 0.000 -15.396 -5.345) 16.298 10.495 ( 0.000 -20.356 -7.174) 21.584 11.135 ( -0.000 -3.804 -8.171) 9.013 11.730 ( -0.000 19.244 10.306) 21.830 11.781 ( -0.000 20.883 6.099) 21.755 13.384 ( 0.000 -8.148 5.209) 9.671 13.500 ( 0.000 -15.294 -6.805) 16.740 14.196 ( 0.000 -19.929 6.295) 20.899 14.219 ( -0.000 2.398 -2.344) 3.354 14.892 ( -0.000 4.556 0.828) 4.631 15.639 ( -0.000 9.862 1.273) 9.944 15.731 ( -0.000 14.517 0.041) 14.517 16.324 ( 0.000 -19.572 0.294) 19.574 16.334 ( -0.000 7.940 -5.472) 9.643 16.618 ( -0.000 1.621 1.879) 2.482 16.673 ( 0.000 0.413 2.813) 2.843 17.010 ( 0.000 -2.638 0.074) 2.639 17.024 ( 0.000 -4.035 7.175) 8.231 17.656 ( 0.000 -10.472 0.922) 10.512 17.727 ( 0.000 -9.088 -0.796) 9.123 18.018 ( 0.000 -5.934 -3.084) 6.687 18.563 ( -0.000 1.917 -4.033) 4.465 18.790 ( 0.000 2.347 7.132) 7.508 ======================= Grid point 270 (145/160) ======================= q-point: (-0.42 -0.41 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -18.567 -0.804 -7.782) 20.148 2.625 ( 1.791 -4.470 -16.362) 17.056 2.747 ( -6.078 -5.378 -9.179) 12.252 3.323 ( 8.270 -13.155 10.658) 18.842 3.562 ( 4.929 -1.117 9.413) 10.684 3.799 ( 2.180 10.254 -8.242) 13.335 3.980 ( 1.240 8.821 -6.354) 10.942 4.191 ( 0.449 4.790 -3.781) 6.119 4.616 ( -2.343 0.548 -11.655) 11.901 4.647 ( 0.844 -7.507 -3.148) 8.184 4.879 ( 2.409 6.990 -1.649) 7.575 5.045 ( -4.767 1.837 -8.796) 10.172 5.372 ( -3.908 5.272 1.802) 6.805 5.458 ( -4.906 -6.361 10.357) 13.107 5.922 ( -3.521 -12.020 2.388) 12.750 7.552 ( 2.014 19.013 5.333) 19.849 7.802 ( 2.451 7.792 -2.146) 8.446 8.085 ( 5.146 0.206 9.554) 10.854 9.161 ( -11.824 4.568 -8.551) 15.290 9.419 ( -6.778 -10.653 -8.413) 15.173 10.139 ( 2.085 -11.874 -6.109) 13.515 11.138 ( -9.363 -2.841 -2.640) 10.135 12.094 ( 1.380 15.550 5.705) 16.621 12.210 ( -4.663 15.535 5.499) 17.127 12.951 ( 15.633 -10.679 2.354) 19.078 13.397 ( -7.904 -10.436 -4.163) 13.737 13.799 ( 1.225 -15.307 7.998) 17.314 14.240 ( 2.394 1.831 -2.345) 3.819 15.098 ( -4.536 9.400 0.616) 10.455 15.831 ( -0.861 7.093 0.644) 7.174 15.941 ( -1.352 -16.385 0.563) 16.451 15.968 ( -1.347 6.189 -0.025) 6.334 16.394 ( 1.917 0.000 -2.353) 3.035 16.555 ( 2.518 -2.095 3.788) 5.008 16.716 ( 0.690 5.335 -3.206) 6.262 16.916 ( 3.198 -1.574 0.891) 3.674 17.075 ( -1.314 1.716 7.733) 8.029 17.438 ( 2.300 -8.203 2.318) 8.829 17.618 ( -3.953 -4.811 -1.480) 6.400 17.903 ( 0.944 -4.006 -3.609) 5.474 18.561 ( 2.662 0.706 -4.052) 4.899 18.826 ( 0.221 1.930 8.202) 8.429 ======================= Grid point 273 (146/160) ======================= q-point: (-0.31 -0.53 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 2.851 -0.000 -17.682) 17.910 2.620 ( -18.943 -0.000 -15.977) 24.781 2.759 ( 0.984 -0.000 -4.656) 4.759 3.003 ( 10.154 0.000 9.653) 14.010 3.480 ( -1.652 0.000 13.415) 13.517 3.817 ( 1.816 -0.000 -7.817) 8.025 4.119 ( 4.037 -0.000 -1.285) 4.236 4.231 ( -0.062 0.000 3.711) 3.712 4.434 ( 4.598 -0.000 -13.537) 14.296 4.602 ( 1.805 -0.000 -14.339) 14.453 5.022 ( -2.058 -0.000 -8.144) 8.400 5.164 ( -0.109 0.000 5.449) 5.451 5.354 ( -0.375 0.000 5.919) 5.931 5.649 ( -7.008 0.000 8.916) 11.340 5.931 ( -18.634 -0.000 -2.594) 18.814 7.638 ( 7.489 0.000 5.498) 9.290 7.744 ( 10.677 0.000 -0.122) 10.677 8.085 ( -1.116 0.000 6.299) 6.397 9.173 ( 5.036 -0.000 -3.673) 6.233 9.809 ( -34.987 -0.000 -14.531) 37.885 9.954 ( 4.290 -0.000 -4.609) 6.296 11.365 ( -16.290 -0.000 -0.485) 16.297 12.272 ( -0.096 0.000 3.835) 3.836 12.427 ( 23.792 0.000 6.586) 24.687 12.518 ( -8.183 0.000 5.456) 9.835 13.339 ( 0.118 -0.000 -5.612) 5.613 13.654 ( -3.205 0.000 7.606) 8.254 14.193 ( 4.964 -0.000 -2.584) 5.596 15.311 ( -4.618 0.000 0.118) 4.620 15.821 ( -6.399 0.000 0.569) 6.424 15.941 ( -1.777 0.000 0.287) 1.800 16.037 ( -0.705 0.000 0.136) 0.718 16.360 ( 1.027 0.000 1.396) 1.733 16.476 ( 3.758 0.000 0.078) 3.759 16.806 ( -1.663 -0.000 -3.186) 3.594 16.833 ( 3.298 -0.000 -1.153) 3.494 17.084 ( 0.850 0.000 8.024) 8.069 17.238 ( 8.060 0.000 3.127) 8.645 17.680 ( -6.134 -0.000 -1.650) 6.352 17.837 ( 1.403 -0.000 -4.153) 4.383 18.504 ( 3.781 -0.000 -4.237) 5.679 18.865 ( -1.703 0.000 8.250) 8.424 ======================= Grid point 281 (147/160) ======================= q-point: ( 0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -0.000 2.056 -0.000) 2.056 2.892 ( -0.000 28.293 -0.000) 28.293 2.905 ( 0.000 -13.052 0.000) 13.052 3.255 ( -0.000 15.440 -0.000) 15.440 3.295 ( 0.000 -5.694 0.000) 5.694 3.871 ( -0.000 13.474 -0.000) 13.474 4.003 ( -0.000 4.609 -0.000) 4.609 4.204 ( 0.000 -2.390 0.000) 2.390 4.210 ( 0.000 -24.377 0.000) 24.377 4.542 ( -0.000 8.334 -0.000) 8.334 5.094 ( 0.000 -2.858 0.000) 2.858 5.147 ( 0.000 -5.531 0.000) 5.531 5.489 ( 0.000 -1.707 0.000) 1.707 5.814 ( 0.000 -4.124 0.000) 4.124 6.143 ( 0.000 -5.432 0.000) 5.432 6.170 ( -0.000 25.609 -0.000) 25.609 7.163 ( -0.000 23.835 -0.000) 23.835 8.270 ( 0.000 -7.277 0.000) 7.277 8.710 ( -0.000 14.422 -0.000) 14.422 10.051 ( 0.000 -17.790 0.000) 17.790 11.027 ( -0.000 30.581 -0.000) 30.581 11.046 ( 0.000 -25.323 0.000) 25.323 11.246 ( -0.000 24.692 -0.000) 24.692 11.504 ( 0.000 -14.954 0.000) 14.954 13.489 ( 0.000 -6.439 0.000) 6.439 13.792 ( 0.000 -4.662 0.000) 4.662 14.189 ( -0.000 2.521 -0.000) 2.521 14.521 ( 0.000 -16.988 0.000) 16.988 14.888 ( 0.000 -5.139 0.000) 5.139 15.399 ( -0.000 16.794 -0.000) 16.794 15.453 ( -0.000 5.413 -0.000) 5.413 16.165 ( -0.000 12.568 -0.000) 12.568 16.531 ( -0.000 2.578 -0.000) 2.578 16.651 ( 0.000 -0.037 0.000) 0.037 16.687 ( 0.000 -15.603 0.000) 15.603 17.039 ( -0.000 0.737 -0.000) 0.737 17.157 ( 0.000 -13.565 0.000) 13.565 17.897 ( 0.000 -7.289 0.000) 7.289 17.901 ( 0.000 -11.826 0.000) 11.826 18.167 ( 0.000 -5.418 0.000) 5.418 18.595 ( -0.000 2.325 -0.000) 2.325 18.635 ( -0.000 2.827 -0.000) 2.827 ======================= Grid point 284 (148/160) ======================= q-point: ( 0.43 -0.43 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -18.434 -0.501 -0.000) 18.441 2.798 ( -5.608 -3.073 0.000) 6.395 3.118 ( 1.799 -8.207 0.000) 8.402 3.422 ( 3.454 19.301 -0.000) 19.608 3.449 ( 0.277 1.063 -0.000) 1.099 3.611 ( 4.894 -16.424 0.000) 17.138 4.031 ( 7.201 0.157 0.000) 7.203 4.170 ( -4.019 1.031 -0.000) 4.149 4.331 ( -5.259 17.121 -0.000) 17.911 4.710 ( -1.167 4.474 -0.000) 4.623 4.974 ( 5.276 -2.175 0.000) 5.707 5.096 ( -0.080 1.017 -0.000) 1.020 5.467 ( -3.342 -4.864 0.000) 5.902 5.508 ( -6.028 -16.110 0.000) 17.201 6.074 ( -3.759 -5.852 0.000) 6.955 6.939 ( -0.377 34.600 -0.000) 34.602 7.563 ( 2.630 18.461 -0.000) 18.648 8.052 ( 7.218 -6.318 0.000) 9.593 9.099 ( -12.894 8.808 -0.000) 15.615 9.768 ( -7.500 -15.337 0.000) 17.073 10.535 ( 3.448 -20.224 0.000) 20.516 11.322 ( -8.328 -9.870 0.000) 12.914 11.591 ( 1.364 24.683 -0.000) 24.720 11.776 ( -5.989 21.003 -0.000) 21.841 13.148 ( 14.994 -10.692 0.000) 18.416 13.706 ( -9.529 -12.705 0.000) 15.882 14.099 ( 3.018 -20.640 0.000) 20.859 14.212 ( 3.138 2.960 -0.000) 4.314 14.941 ( -5.890 4.171 -0.000) 7.217 15.639 ( -1.293 9.852 -0.000) 9.936 15.763 ( -3.231 13.616 -0.000) 13.994 16.287 ( 3.024 -13.716 0.000) 14.045 16.406 ( 0.344 6.297 -0.000) 6.307 16.492 ( 6.498 -0.397 0.000) 6.510 16.658 ( 1.740 1.618 -0.000) 2.376 16.952 ( -1.010 -7.125 0.000) 7.196 17.028 ( -1.583 -2.071 0.000) 2.607 17.637 ( 1.145 -12.279 0.000) 12.332 17.763 ( -2.644 -7.325 0.000) 7.787 18.037 ( 1.342 -5.699 0.000) 5.855 18.606 ( 3.709 2.296 -0.000) 4.362 18.673 ( 0.449 2.104 -0.000) 2.151 ======================= Grid point 295 (149/160) ======================= q-point: (-0.45 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -14.026 0.822 -0.000) 14.050 2.861 ( 6.050 -3.405 0.000) 6.943 2.946 ( -4.898 -9.981 0.000) 11.118 3.060 ( -2.116 -9.908 0.000) 10.132 3.284 ( 6.841 -5.008 0.000) 8.478 3.885 ( 1.194 16.682 -0.000) 16.725 3.930 ( 3.391 0.473 -0.000) 3.424 4.206 ( 0.362 -0.808 0.000) 0.885 4.669 ( 2.557 -5.811 0.000) 6.349 4.767 ( -1.298 17.424 -0.000) 17.472 4.789 ( 7.946 -2.534 0.000) 8.340 5.235 ( 4.922 11.334 -0.000) 12.357 5.336 ( -0.790 -10.085 0.000) 10.116 5.542 ( -18.627 -5.991 0.000) 19.567 6.072 ( -13.618 -7.880 0.000) 15.733 7.422 ( 5.738 15.553 -0.000) 16.578 7.773 ( 12.290 -2.449 0.000) 12.531 7.872 ( -1.740 13.638 -0.000) 13.748 9.254 ( 2.899 -3.807 0.000) 4.785 9.976 ( -34.007 -2.363 -0.000) 34.089 10.120 ( 5.527 -11.509 0.000) 12.767 11.415 ( -16.069 -4.308 0.000) 16.637 11.956 ( 7.230 18.103 -0.000) 19.494 12.293 ( -9.370 14.360 -0.000) 17.146 12.576 ( 18.596 -12.440 0.000) 22.374 13.622 ( 5.311 -16.594 0.000) 17.423 13.647 ( -8.846 -9.099 0.000) 12.690 14.192 ( 5.116 2.436 -0.000) 5.666 15.209 ( -7.276 7.230 -0.000) 10.257 15.854 ( -1.906 7.458 -0.000) 7.698 15.978 ( -3.316 -13.144 0.000) 13.556 15.998 ( -1.736 4.239 -0.000) 4.581 16.361 ( 4.103 -0.455 0.000) 4.128 16.459 ( 3.707 1.808 -0.000) 4.124 16.727 ( 2.593 9.236 -0.000) 9.593 16.868 ( -0.136 -3.164 0.000) 3.166 17.012 ( -0.725 -2.138 0.000) 2.258 17.352 ( 4.351 -11.303 0.000) 12.111 17.730 ( -5.368 -3.257 0.000) 6.279 17.910 ( 1.887 -3.057 0.000) 3.592 18.559 ( 4.482 1.032 -0.000) 4.599 18.732 ( -1.708 2.663 -0.000) 3.163 ======================= Grid point 299 (150/160) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 18.292 0.000 0.000) 18.292 2.679 ( 15.381 0.000 0.000) 15.381 2.848 ( -3.259 -0.000 -0.000) 3.259 3.168 ( -7.013 -0.000 -0.000) 7.013 3.350 ( -15.141 -0.000 -0.000) 15.141 3.921 ( -2.798 -0.000 -0.000) 2.798 4.075 ( 1.184 0.000 0.000) 1.184 4.117 ( 4.731 0.000 0.000) 4.731 4.492 ( 6.122 0.000 0.000) 6.122 4.606 ( 8.243 0.000 0.000) 8.243 5.046 ( 3.584 0.000 0.000) 3.584 5.098 ( 1.158 0.000 0.000) 1.158 5.200 ( 10.067 0.000 0.000) 10.067 5.924 ( -25.963 -0.000 -0.000) 25.963 6.334 ( -20.137 -0.000 -0.000) 20.137 7.402 ( 10.876 0.000 0.000) 10.876 7.494 ( 14.715 0.000 0.000) 14.715 8.100 ( -4.913 -0.000 -0.000) 4.913 9.097 ( 6.434 0.000 0.000) 6.434 9.877 ( 7.559 0.000 0.000) 7.559 10.686 ( -40.239 -0.000 -0.000) 40.239 11.716 ( -19.060 -0.000 -0.000) 19.060 11.789 ( 33.935 0.000 0.000) 33.935 12.220 ( 0.939 0.000 0.000) 0.939 12.658 ( -11.843 -0.000 -0.000) 11.843 13.319 ( 5.967 0.000 0.000) 5.967 13.711 ( -8.108 -0.000 -0.000) 8.108 14.098 ( 7.851 0.000 0.000) 7.851 15.401 ( -4.440 -0.000 -0.000) 4.440 15.950 ( -6.921 -0.000 -0.000) 6.921 15.978 ( -2.127 -0.000 -0.000) 2.127 16.045 ( -0.516 -0.000 -0.000) 0.516 16.332 ( 0.650 0.000 0.000) 0.650 16.409 ( 2.462 0.000 0.000) 2.462 16.807 ( 0.915 0.000 0.000) 0.915 16.869 ( -0.789 -0.000 -0.000) 0.789 16.998 ( -0.978 -0.000 -0.000) 0.978 17.026 ( 10.815 0.000 0.000) 10.815 17.807 ( -5.261 -0.000 -0.000) 5.261 17.851 ( 1.377 0.000 0.000) 1.377 18.491 ( 3.550 0.000 0.000) 3.550 18.821 ( -3.508 -0.000 -0.000) 3.508 ======================= Grid point 301 (151/160) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 -0.000 -16.741) 16.741 2.111 ( -0.000 -0.000 -24.806) 24.806 2.638 ( 0.000 0.000 1.637) 1.637 3.459 ( -0.000 -0.000 -28.419) 28.419 3.494 ( 0.000 0.000 13.573) 13.573 3.841 ( 0.000 0.000 10.163) 10.163 4.099 ( -0.000 -0.000 -7.074) 7.074 4.213 ( -0.000 -0.000 -4.919) 4.919 4.214 ( -0.000 -0.000 -16.334) 16.334 4.263 ( -0.000 -0.000 -14.862) 14.862 4.794 ( -0.000 -0.000 -2.088) 2.088 5.208 ( 0.000 0.000 4.593) 4.593 5.413 ( -0.000 -0.000 -5.571) 5.571 5.503 ( 0.000 0.000 13.217) 13.217 5.778 ( 0.000 0.000 0.197) 0.197 7.894 ( 0.000 0.000 4.895) 4.895 7.911 ( 0.000 0.000 2.598) 2.598 8.352 ( 0.000 0.000 12.108) 12.108 8.675 ( -0.000 -0.000 -24.303) 24.303 9.164 ( -0.000 -0.000 -8.083) 8.083 9.858 ( -0.000 -0.000 -11.180) 11.180 10.996 ( 0.000 0.000 0.121) 0.121 12.367 ( 0.000 0.000 5.205) 5.205 12.507 ( 0.000 0.000 10.108) 10.108 12.858 ( -0.000 -0.000 -12.488) 12.488 13.323 ( 0.000 0.000 12.686) 12.686 13.804 ( 0.000 0.000 9.639) 9.639 14.215 ( -0.000 -0.000 -4.451) 4.451 15.219 ( 0.000 0.000 0.770) 0.770 15.713 ( 0.000 0.000 0.920) 0.920 15.926 ( 0.000 0.000 1.482) 1.482 16.017 ( -0.000 -0.000 -0.362) 0.362 16.426 ( 0.000 0.000 2.159) 2.159 16.562 ( 0.000 0.000 0.801) 0.801 16.716 ( -0.000 -0.000 -1.460) 1.460 16.963 ( 0.000 0.000 0.815) 0.815 17.301 ( 0.000 0.000 10.996) 10.996 17.390 ( -0.000 -0.000 -1.342) 1.342 17.539 ( 0.000 0.000 3.669) 3.669 17.758 ( -0.000 -0.000 -7.005) 7.005 18.542 ( -0.000 -0.000 -1.725) 1.725 19.029 ( 0.000 0.000 10.146) 10.146 ======================= Grid point 322 (152/160) ======================= q-point: (-0.48 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.000 -0.877 -6.727) 6.784 2.654 ( -0.000 1.037 -4.607) 4.722 2.670 ( -0.000 -10.343 -20.787) 23.218 3.405 ( 0.000 -14.866 11.891) 19.036 3.619 ( 0.000 1.823 9.619) 9.790 3.825 ( -0.000 11.107 -8.262) 13.843 3.992 ( -0.000 6.082 -10.293) 11.956 4.196 ( -0.000 7.932 -5.784) 9.817 4.583 ( -0.000 2.887 -7.788) 8.306 4.656 ( 0.000 -7.813 -2.826) 8.309 4.924 ( -0.000 8.997 1.316) 9.093 4.977 ( -0.000 -4.486 -14.920) 15.580 5.317 ( -0.000 8.570 0.567) 8.589 5.419 ( 0.000 -9.334 10.748) 14.235 5.897 ( 0.000 -11.567 3.733) 12.154 7.569 ( -0.000 20.342 5.128) 20.979 7.825 ( -0.000 7.674 -1.276) 7.780 8.138 ( 0.000 -1.130 9.544) 9.610 9.009 ( -0.000 4.428 -11.968) 12.761 9.389 ( 0.000 -9.871 -5.140) 11.129 10.159 ( 0.000 -11.889 -6.767) 13.680 11.046 ( 0.000 -3.444 -2.845) 4.467 12.109 ( -0.000 15.589 5.307) 16.467 12.163 ( -0.000 15.670 5.726) 16.684 13.209 ( 0.000 -11.772 -8.409) 14.466 13.211 ( 0.000 -8.103 7.053) 10.743 13.813 ( 0.000 -15.986 7.393) 17.613 14.262 ( -0.000 1.660 -2.354) 2.880 15.054 ( -0.000 10.249 0.680) 10.272 15.823 ( -0.000 7.329 0.909) 7.385 15.929 ( 0.000 -17.940 0.463) 17.945 15.955 ( -0.000 7.024 -0.101) 7.025 16.412 ( -0.000 -0.607 -2.524) 2.596 16.578 ( 0.000 -2.996 4.329) 5.265 16.723 ( -0.000 4.188 -3.436) 5.417 16.964 ( 0.000 -1.454 0.307) 1.486 17.051 ( 0.000 4.008 8.402) 9.309 17.458 ( 0.000 -7.739 2.060) 8.008 17.577 ( 0.000 -5.582 -0.735) 5.630 17.912 ( 0.000 -4.102 -3.715) 5.534 18.587 ( -0.000 0.651 -3.837) 3.892 18.829 ( 0.000 1.409 8.298) 8.417 ======================= Grid point 325 (153/160) ======================= q-point: (-0.36 -0.47 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -18.692 -0.000 -7.971) 20.321 2.542 ( 0.871 -0.000 -19.933) 19.952 2.717 ( -4.216 -0.000 -5.769) 7.145 3.176 ( 7.018 0.000 11.832) 13.757 3.550 ( 6.727 0.000 8.429) 10.785 3.855 ( 1.218 -0.000 -10.247) 10.319 4.218 ( 5.888 -0.000 -2.383) 6.352 4.221 ( -0.857 0.000 1.091) 1.387 4.491 ( 1.295 -0.000 -12.240) 12.308 4.595 ( -1.602 -0.000 -18.452) 18.521 4.968 ( -3.114 -0.000 -11.237) 11.660 5.150 ( -1.023 0.000 3.414) 3.564 5.267 ( -4.611 0.000 13.595) 14.355 5.623 ( -12.768 -0.000 -2.622) 13.034 5.661 ( 3.468 0.000 8.061) 8.776 7.748 ( 4.001 0.000 5.358) 6.687 7.872 ( 3.060 -0.000 -1.345) 3.342 8.102 ( 2.415 0.000 9.640) 9.938 9.250 ( 2.908 -0.000 -3.811) 4.794 9.265 ( -20.862 -0.000 -14.707) 25.525 10.015 ( 2.089 -0.000 -6.163) 6.508 11.108 ( -9.965 -0.000 -0.765) 9.995 12.277 ( 0.581 0.000 3.016) 3.071 12.395 ( -4.742 0.000 6.155) 7.770 12.815 ( 17.379 0.000 2.607) 17.574 13.275 ( -6.772 -0.000 -4.131) 7.933 13.627 ( -0.012 0.000 8.799) 8.799 14.259 ( 2.204 -0.000 -2.341) 3.215 15.237 ( -2.950 0.000 0.340) 2.970 15.728 ( -3.279 0.000 0.642) 3.341 15.914 ( -0.998 0.000 0.591) 1.160 16.026 ( -0.384 -0.000 -0.116) 0.401 16.376 ( 0.560 0.000 1.918) 1.998 16.534 ( 2.163 0.000 0.097) 2.165 16.782 ( -0.782 -0.000 -4.090) 4.164 16.906 ( 3.920 -0.000 -0.287) 3.930 17.098 ( 0.531 0.000 8.926) 8.942 17.347 ( 3.401 0.000 3.093) 4.598 17.567 ( -5.096 -0.000 -1.256) 5.249 17.859 ( 0.843 -0.000 -4.115) 4.201 18.568 ( 2.613 -0.000 -4.070) 4.836 18.846 ( -0.373 0.000 8.781) 8.789 ======================= Grid point 336 (154/160) ======================= q-point: ( 0.38 -0.37 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 0.000 -0.780 0.000) 0.780 2.739 ( 0.000 -3.595 0.000) 3.595 3.140 ( 0.000 -9.631 0.000) 9.631 3.445 ( -0.000 25.194 -0.000) 25.194 3.449 ( -0.000 4.974 -0.000) 4.974 3.683 ( 0.000 -24.953 0.000) 24.953 4.121 ( -0.000 6.742 -0.000) 6.742 4.138 ( 0.000 -3.693 0.000) 3.693 4.244 ( -0.000 20.836 -0.000) 20.836 4.695 ( -0.000 4.725 -0.000) 4.725 5.037 ( 0.000 -5.173 0.000) 5.173 5.081 ( -0.000 3.230 -0.000) 3.230 5.430 ( 0.000 -4.662 0.000) 4.662 5.456 ( 0.000 -17.063 0.000) 17.063 6.040 ( 0.000 -6.546 0.000) 6.546 6.935 ( -0.000 35.572 -0.000) 35.572 7.590 ( -0.000 17.512 -0.000) 17.512 8.122 ( 0.000 -6.580 0.000) 6.580 8.958 ( -0.000 9.977 -0.000) 9.977 9.709 ( 0.000 -15.311 0.000) 15.311 10.568 ( 0.000 -20.925 0.000) 20.925 11.241 ( 0.000 -10.582 0.000) 10.582 11.604 ( -0.000 25.686 -0.000) 25.686 11.719 ( -0.000 21.519 -0.000) 21.519 13.332 ( 0.000 -8.895 0.000) 8.895 13.572 ( 0.000 -14.275 0.000) 14.275 14.128 ( 0.000 -20.610 0.000) 20.610 14.241 ( -0.000 2.483 -0.000) 2.483 14.884 ( -0.000 4.531 -0.000) 4.531 15.627 ( -0.000 10.042 -0.000) 10.042 15.730 ( -0.000 14.555 -0.000) 14.555 16.321 ( 0.000 -19.639 0.000) 19.639 16.406 ( -0.000 9.909 -0.000) 9.909 16.558 ( 0.000 -2.142 0.000) 2.142 16.675 ( -0.000 2.855 -0.000) 2.855 16.947 ( 0.000 -5.032 0.000) 5.032 17.009 ( 0.000 -2.732 0.000) 2.732 17.648 ( 0.000 -12.142 0.000) 12.142 17.735 ( 0.000 -8.195 0.000) 8.195 18.049 ( 0.000 -5.709 0.000) 5.709 18.644 ( -0.000 1.962 -0.000) 1.962 18.678 ( -0.000 1.580 -0.000) 1.580 ======================= Grid point 347 (155/160) ======================= q-point: ( 0.49 0.51 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -19.037 -0.488 -0.000) 19.043 2.791 ( -6.512 1.309 -0.000) 6.642 2.923 ( 0.308 -9.457 0.000) 9.462 3.166 ( 6.947 -16.030 0.000) 17.471 3.440 ( 6.982 -0.869 0.000) 7.036 3.908 ( 1.118 18.931 -0.000) 18.964 4.015 ( 4.812 -0.808 0.000) 4.880 4.230 ( 1.990 2.912 -0.000) 3.527 4.694 ( 0.071 -4.524 0.000) 4.525 4.709 ( -4.395 18.166 -0.000) 18.690 4.903 ( 4.078 -3.292 0.000) 5.241 5.268 ( -6.828 -7.484 0.000) 10.131 5.273 ( -0.673 13.366 -0.000) 13.383 5.319 ( -3.560 -9.734 0.000) 10.364 5.887 ( -5.514 -12.270 0.000) 13.452 7.495 ( 2.203 18.968 -0.000) 19.096 7.858 ( 0.031 10.205 -0.000) 10.205 7.956 ( 6.723 -3.029 0.000) 7.374 9.234 ( -6.979 4.596 -0.000) 8.356 9.514 ( -11.560 -9.205 0.000) 14.777 10.199 ( 2.782 -11.853 0.000) 12.175 11.169 ( -9.318 -5.029 0.000) 10.589 12.035 ( 2.151 18.032 -0.000) 18.160 12.154 ( -5.091 15.255 -0.000) 16.082 12.918 ( 16.478 -10.986 0.000) 19.804 13.465 ( -10.326 -9.518 0.000) 14.044 13.702 ( 2.953 -16.781 0.000) 17.039 14.262 ( 2.398 1.842 -0.000) 3.024 15.092 ( -4.602 9.559 -0.000) 10.609 15.825 ( -1.111 7.467 -0.000) 7.549 15.936 ( -1.271 -16.718 0.000) 16.767 15.968 ( -1.249 6.252 -0.000) 6.376 16.422 ( 2.145 -5.158 0.000) 5.586 16.513 ( 1.928 2.418 -0.000) 3.093 16.763 ( 1.205 6.755 -0.000) 6.862 16.896 ( 2.816 0.405 -0.000) 2.845 16.994 ( -1.342 -0.935 0.000) 1.635 17.416 ( 2.264 -8.762 0.000) 9.050 17.632 ( -4.398 -4.942 0.000) 6.616 17.939 ( 1.060 -3.652 0.000) 3.802 18.637 ( 3.280 0.798 -0.000) 3.376 18.709 ( -0.695 1.330 -0.000) 1.500 ======================= Grid point 351 (156/160) ======================= q-point: (-0.39 -0.61 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -17.487 -0.000 -0.000) 17.487 2.784 ( 13.939 0.000 0.000) 13.939 2.813 ( -0.682 -0.000 -0.000) 0.682 2.994 ( -10.435 -0.000 -0.000) 10.435 3.237 ( 7.645 0.000 0.000) 7.645 3.935 ( 3.167 0.000 0.000) 3.167 4.128 ( 4.556 0.000 0.000) 4.556 4.153 ( 0.399 0.000 0.000) 0.399 4.586 ( 3.570 0.000 0.000) 3.570 4.764 ( 7.310 0.000 0.000) 7.310 5.088 ( -2.329 -0.000 -0.000) 2.329 5.096 ( 1.614 0.000 0.000) 1.614 5.383 ( 8.907 0.000 0.000) 8.907 5.477 ( -20.332 -0.000 -0.000) 20.332 5.959 ( -18.868 -0.000 -0.000) 18.868 7.578 ( 7.662 0.000 0.000) 7.662 7.750 ( 11.809 0.000 0.000) 11.809 8.018 ( -3.629 -0.000 -0.000) 3.629 9.208 ( 5.157 0.000 0.000) 5.157 9.956 ( -35.238 -0.000 -0.000) 35.238 10.000 ( 5.315 0.000 0.000) 5.315 11.371 ( -16.523 -0.000 -0.000) 16.523 12.237 ( 0.861 0.000 0.000) 0.861 12.353 ( 25.795 0.000 0.000) 25.795 12.461 ( -8.813 -0.000 -0.000) 8.813 13.429 ( 5.220 0.000 0.000) 5.220 13.549 ( -9.117 -0.000 -0.000) 9.117 14.217 ( 4.763 0.000 0.000) 4.763 15.310 ( -4.778 -0.000 -0.000) 4.778 15.815 ( -6.436 -0.000 -0.000) 6.436 15.939 ( -1.922 -0.000 -0.000) 1.922 16.035 ( -0.512 -0.000 -0.000) 0.512 16.345 ( 0.667 0.000 0.000) 0.667 16.476 ( 3.725 0.000 0.000) 3.725 16.845 ( 2.945 0.000 0.000) 2.945 16.856 ( -0.597 -0.000 -0.000) 0.597 16.987 ( -0.215 -0.000 -0.000) 0.215 17.207 ( 7.819 0.000 0.000) 7.819 17.696 ( -6.329 -0.000 -0.000) 6.329 17.878 ( 1.377 0.000 0.000) 1.377 18.569 ( 4.394 0.000 0.000) 4.394 18.761 ( -2.690 -0.000 -0.000) 2.690 ======================= Grid point 378 (157/160) ======================= q-point: (-0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -0.000 -0.000 -6.784) 6.784 2.551 ( -0.000 -0.000 -20.426) 20.426 2.668 ( -0.000 -0.000 -4.526) 4.526 3.245 ( 0.000 0.000 12.517) 12.517 3.636 ( 0.000 0.000 9.933) 9.933 3.857 ( -0.000 -0.000 -14.713) 14.713 4.209 ( -0.000 -0.000 -0.875) 0.875 4.291 ( -0.000 -0.000 -3.043) 3.043 4.495 ( -0.000 -0.000 -11.398) 11.398 4.576 ( -0.000 -0.000 -17.192) 17.192 4.932 ( -0.000 -0.000 -12.909) 12.909 5.138 ( 0.000 0.000 2.613) 2.613 5.225 ( 0.000 0.000 15.661) 15.661 5.494 ( -0.000 -0.000 -2.870) 2.870 5.699 ( 0.000 0.000 7.654) 7.654 7.786 ( 0.000 0.000 5.334) 5.334 7.894 ( -0.000 -0.000 -1.185) 1.185 8.133 ( 0.000 0.000 10.274) 10.274 9.061 ( -0.000 -0.000 -14.866) 14.866 9.278 ( -0.000 -0.000 -3.797) 3.797 10.034 ( -0.000 -0.000 -6.742) 6.742 11.011 ( -0.000 -0.000 -1.178) 1.178 12.287 ( 0.000 0.000 3.032) 3.032 12.346 ( 0.000 0.000 6.245) 6.245 13.076 ( -0.000 -0.000 -9.757) 9.757 13.111 ( 0.000 0.000 8.568) 8.568 13.631 ( 0.000 0.000 8.079) 8.079 14.280 ( -0.000 -0.000 -2.283) 2.283 15.208 ( 0.000 0.000 0.417) 0.417 15.697 ( 0.000 0.000 0.671) 0.671 15.905 ( 0.000 0.000 0.723) 0.723 16.023 ( -0.000 -0.000 -0.202) 0.202 16.381 ( 0.000 0.000 2.104) 2.104 16.555 ( 0.000 0.000 0.067) 0.067 16.775 ( -0.000 -0.000 -4.374) 4.374 16.951 ( 0.000 0.000 0.438) 0.438 17.103 ( 0.000 0.000 9.202) 9.202 17.374 ( 0.000 0.000 1.958) 1.958 17.516 ( -0.000 -0.000 -0.361) 0.361 17.867 ( -0.000 -0.000 -4.097) 4.097 18.593 ( -0.000 -0.000 -3.796) 3.796 18.844 ( 0.000 0.000 8.831) 8.831 ======================= Grid point 400 (158/160) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.000 -0.685 0.000) 0.685 2.722 ( -0.000 0.831 -0.000) 0.831 2.928 ( 0.000 -9.706 0.000) 9.706 3.235 ( 0.000 -16.392 0.000) 16.392 3.509 ( -0.000 1.542 -0.000) 1.542 3.920 ( -0.000 19.411 -0.000) 19.411 4.071 ( 0.000 -2.519 0.000) 2.519 4.256 ( -0.000 5.766 -0.000) 5.766 4.652 ( -0.000 18.365 -0.000) 18.365 4.689 ( 0.000 -4.346 0.000) 4.346 4.942 ( 0.000 -3.881 0.000) 3.881 5.204 ( 0.000 -7.655 0.000) 7.655 5.255 ( -0.000 12.631 -0.000) 12.631 5.287 ( 0.000 -9.323 0.000) 9.323 5.842 ( 0.000 -12.724 0.000) 12.724 7.514 ( -0.000 20.306 -0.000) 20.306 7.861 ( -0.000 8.821 -0.000) 8.821 8.020 ( 0.000 -3.204 0.000) 3.204 9.121 ( -0.000 6.327 -0.000) 6.327 9.445 ( 0.000 -10.312 0.000) 10.312 10.226 ( 0.000 -11.960 0.000) 11.960 11.079 ( 0.000 -5.319 0.000) 5.319 12.054 ( -0.000 17.689 -0.000) 17.689 12.105 ( -0.000 15.537 -0.000) 15.537 13.141 ( 0.000 -9.186 0.000) 9.186 13.302 ( 0.000 -10.600 0.000) 10.600 13.731 ( 0.000 -16.821 0.000) 16.821 14.285 ( -0.000 1.599 -0.000) 1.599 15.047 ( -0.000 10.410 -0.000) 10.410 15.814 ( -0.000 7.469 -0.000) 7.469 15.925 ( 0.000 -18.076 0.000) 18.076 15.956 ( -0.000 7.128 -0.000) 7.128 16.441 ( 0.000 -6.867 0.000) 6.867 16.531 ( -0.000 2.773 -0.000) 2.773 16.774 ( -0.000 5.798 -0.000) 5.798 16.950 ( -0.000 2.852 -0.000) 2.852 16.961 ( 0.000 -1.564 0.000) 1.564 17.437 ( 0.000 -7.894 0.000) 7.894 17.586 ( 0.000 -5.841 0.000) 5.841 17.949 ( 0.000 -3.816 0.000) 3.816 18.670 ( -0.000 0.668 -0.000) 0.668 18.703 ( -0.000 0.871 -0.000) 0.871 ======================= Grid point 404 (159/160) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -19.373 -0.000 -0.000) 19.373 2.812 ( 0.294 0.000 0.000) 0.294 2.813 ( -7.651 -0.000 -0.000) 7.651 2.990 ( 7.438 0.000 0.000) 7.438 3.430 ( 9.136 0.000 0.000) 9.136 4.006 ( 3.600 0.000 0.000) 3.600 4.155 ( -0.021 -0.000 -0.000) 0.021 4.240 ( 6.598 0.000 0.000) 6.598 4.620 ( 0.054 0.000 0.000) 0.054 4.866 ( 3.459 0.000 0.000) 3.459 5.001 ( -6.595 -0.000 -0.000) 6.595 5.111 ( 0.246 0.000 0.000) 0.246 5.198 ( -8.315 -0.000 -0.000) 8.315 5.522 ( 5.307 0.000 0.000) 5.307 5.650 ( -12.663 -0.000 -0.000) 12.663 7.690 ( 4.030 0.000 0.000) 4.030 7.926 ( 6.518 0.000 0.000) 6.518 7.965 ( -1.846 -0.000 -0.000) 1.846 9.286 ( 2.883 0.000 0.000) 2.883 9.412 ( -20.777 -0.000 -0.000) 20.777 10.076 ( 2.691 0.000 0.000) 2.691 11.118 ( -9.599 -0.000 -0.000) 9.599 12.251 ( 0.554 0.000 0.000) 0.554 12.330 ( -4.815 -0.000 -0.000) 4.815 12.774 ( 18.834 0.000 0.000) 18.834 13.361 ( -10.713 -0.000 -0.000) 10.713 13.507 ( 2.931 0.000 0.000) 2.931 14.282 ( 2.140 0.000 0.000) 2.140 15.233 ( -3.038 -0.000 -0.000) 3.038 15.721 ( -3.303 -0.000 -0.000) 3.303 15.909 ( -1.129 -0.000 -0.000) 1.129 16.027 ( -0.281 -0.000 -0.000) 0.281 16.355 ( 0.364 0.000 0.000) 0.364 16.534 ( 2.197 0.000 0.000) 2.197 16.847 ( -0.313 -0.000 -0.000) 0.313 16.909 ( 3.362 0.000 0.000) 3.362 16.987 ( 0.071 0.000 0.000) 0.071 17.316 ( 3.765 0.000 0.000) 3.765 17.579 ( -5.387 -0.000 -0.000) 5.387 17.899 ( 0.823 0.000 0.000) 0.823 18.644 ( 3.160 0.000 0.000) 3.160 18.723 ( -1.229 -0.000 -0.000) 1.229 ======================= Grid point 458 (160/160) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.000 0.000 0.000) 0.000 2.736 ( -0.000 -0.000 -0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 3.060 ( -0.000 -0.000 -0.000) 0.000 3.524 ( -0.000 -0.000 -0.000) 0.000 4.045 ( -0.000 -0.000 -0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.322 ( -0.000 -0.000 -0.000) 0.000 4.609 ( -0.000 -0.000 -0.000) 0.000 4.898 ( -0.000 -0.000 -0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.112 ( -0.000 -0.000 -0.000) 0.000 5.129 ( -0.000 -0.000 -0.000) 0.000 5.522 ( -0.000 -0.000 -0.000) 0.000 5.573 ( -0.000 -0.000 -0.000) 0.000 7.728 ( -0.000 -0.000 -0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 7.989 ( -0.000 -0.000 -0.000) 0.000 9.210 ( -0.000 -0.000 -0.000) 0.000 9.313 ( -0.000 -0.000 -0.000) 0.000 10.101 ( -0.000 -0.000 -0.000) 0.000 11.025 ( -0.000 -0.000 -0.000) 0.000 12.257 ( -0.000 -0.000 -0.000) 0.000 12.284 ( -0.000 -0.000 -0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 13.188 ( -0.000 -0.000 -0.000) 0.000 13.536 ( -0.000 -0.000 -0.000) 0.000 14.302 ( -0.000 -0.000 -0.000) 0.000 15.204 ( -0.000 -0.000 -0.000) 0.000 15.690 ( -0.000 -0.000 -0.000) 0.000 15.898 ( -0.000 -0.000 -0.000) 0.000 16.025 ( -0.000 -0.000 -0.000) 0.000 16.359 ( -0.000 -0.000 -0.000) 0.000 16.555 ( -0.000 -0.000 -0.000) 0.000 16.844 ( 0.000 0.000 0.000) 0.000 16.947 ( -0.000 -0.000 -0.000) 0.000 16.988 ( -0.000 -0.000 -0.000) 0.000 17.351 ( -0.000 -0.000 -0.000) 0.000 17.522 ( -0.000 -0.000 -0.000) 0.000 17.907 ( -0.000 -0.000 -0.000) 0.000 18.676 ( -0.000 -0.000 -0.000) 0.000 18.712 ( 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 3/36288 10.0 2349.347 1527.852 2562.989 0.000 0.000 -0.000 3/36288 20.0 1132.235 950.091 1396.470 0.000 0.000 -0.000 3/36288 30.0 478.720 523.580 571.174 0.000 0.000 -0.000 3/36288 40.0 253.616 320.032 300.790 0.000 0.000 -0.000 3/36288 50.0 162.109 222.076 191.485 0.000 0.000 -0.000 3/36288 60.0 115.958 167.879 136.580 -0.000 0.000 -0.000 3/36288 70.0 88.997 133.996 104.532 -0.000 0.000 -0.000 3/36288 80.0 71.599 110.882 83.803 -0.000 0.000 -0.000 3/36288 90.0 59.560 94.130 69.396 -0.000 0.000 -0.000 3/36288 100.0 50.792 81.459 58.855 -0.000 0.000 -0.000 3/36288 110.0 44.153 71.571 50.846 -0.000 0.000 -0.000 3/36288 120.0 38.974 63.666 44.581 -0.000 0.000 -0.000 3/36288 130.0 34.833 57.227 39.571 -0.000 0.000 -0.000 3/36288 140.0 31.457 51.898 35.490 -0.000 0.000 -0.000 3/36288 150.0 28.659 47.430 32.114 -0.000 0.000 -0.000 3/36288 160.0 26.306 43.639 29.286 -0.000 0.000 -0.000 3/36288 170.0 24.304 40.390 26.890 -0.000 0.000 -0.000 3/36288 180.0 22.581 37.581 24.839 -0.000 0.000 -0.000 3/36288 190.0 21.086 35.131 23.068 -0.000 0.000 -0.000 3/36288 200.0 19.776 32.978 21.525 -0.000 0.000 -0.000 3/36288 210.0 18.620 31.073 20.171 -0.000 0.000 -0.000 3/36288 220.0 17.593 29.377 18.976 -0.000 0.000 -0.000 3/36288 230.0 16.675 27.859 17.913 -0.000 0.000 -0.000 3/36288 240.0 15.849 26.492 16.963 -0.000 0.000 -0.000 3/36288 250.0 15.103 25.255 16.109 -0.000 0.000 -0.000 3/36288 260.0 14.425 24.131 15.337 -0.000 0.000 -0.000 3/36288 270.0 13.807 23.105 14.637 -0.000 0.000 -0.000 3/36288 280.0 13.241 22.164 13.999 -0.000 0.000 -0.000 3/36288 290.0 12.721 21.300 13.415 -0.000 0.000 -0.000 3/36288 300.0 12.241 20.502 12.879 -0.000 0.000 -0.000 3/36288 310.0 11.797 19.763 12.385 -0.000 0.000 -0.000 3/36288 320.0 11.385 19.078 11.929 -0.000 0.000 -0.000 3/36288 330.0 11.002 18.439 11.505 -0.000 0.000 -0.000 3/36288 340.0 10.644 17.844 11.112 -0.000 0.000 -0.000 3/36288 350.0 10.309 17.286 10.745 -0.000 0.000 -0.000 3/36288 360.0 9.996 16.764 10.403 -0.000 0.000 -0.000 3/36288 370.0 9.701 16.273 10.082 -0.000 0.000 -0.000 3/36288 380.0 9.424 15.811 9.781 -0.000 0.000 -0.000 3/36288 390.0 9.163 15.375 9.498 -0.000 0.000 -0.000 3/36288 400.0 8.916 14.963 9.232 -0.000 0.000 -0.000 3/36288 410.0 8.682 14.573 8.980 -0.000 0.000 -0.000 3/36288 420.0 8.461 14.204 8.742 -0.000 0.000 -0.000 3/36288 430.0 8.251 13.854 8.517 -0.000 0.000 -0.000 3/36288 440.0 8.051 13.520 8.304 -0.000 0.000 -0.000 3/36288 450.0 7.861 13.203 8.101 -0.000 0.000 -0.000 3/36288 460.0 7.680 12.901 7.908 -0.000 0.000 -0.000 3/36288 470.0 7.507 12.612 7.725 -0.000 0.000 -0.000 3/36288 480.0 7.342 12.337 7.550 -0.000 0.000 -0.000 3/36288 490.0 7.185 12.074 7.383 -0.000 0.000 -0.000 3/36288 500.0 7.034 11.821 7.223 -0.000 0.000 -0.000 3/36288 510.0 6.889 11.580 7.070 -0.000 0.000 -0.000 3/36288 520.0 6.751 11.348 6.924 -0.000 0.000 -0.000 3/36288 530.0 6.618 11.126 6.784 -0.000 0.000 -0.000 3/36288 540.0 6.490 10.912 6.650 -0.000 0.000 -0.000 3/36288 550.0 6.367 10.706 6.521 -0.000 0.000 -0.000 3/36288 560.0 6.249 10.509 6.397 -0.000 0.000 -0.000 3/36288 570.0 6.135 10.318 6.277 -0.000 0.000 -0.000 3/36288 580.0 6.025 10.135 6.163 -0.000 0.000 -0.000 3/36288 590.0 5.919 9.958 6.052 -0.000 0.000 -0.000 3/36288 600.0 5.817 9.787 5.945 -0.000 0.000 -0.000 3/36288 610.0 5.719 9.622 5.843 -0.000 0.000 -0.000 3/36288 620.0 5.624 9.463 5.743 -0.000 0.000 -0.000 3/36288 630.0 5.532 9.309 5.648 -0.000 0.000 -0.000 3/36288 640.0 5.443 9.160 5.555 -0.000 0.000 -0.000 3/36288 650.0 5.357 9.015 5.465 -0.000 0.000 -0.000 3/36288 660.0 5.273 8.876 5.379 -0.000 0.000 -0.000 3/36288 670.0 5.192 8.740 5.295 -0.000 0.000 -0.000 3/36288 680.0 5.114 8.609 5.214 -0.000 0.000 -0.000 3/36288 690.0 5.038 8.481 5.135 -0.000 0.000 -0.000 3/36288 700.0 4.964 8.358 5.058 -0.000 0.000 -0.000 3/36288 710.0 4.893 8.238 4.984 -0.000 0.000 -0.000 3/36288 720.0 4.823 8.121 4.912 -0.000 0.000 -0.000 3/36288 730.0 4.756 8.008 4.842 -0.000 0.000 -0.000 3/36288 740.0 4.690 7.898 4.775 -0.000 0.000 -0.000 3/36288 750.0 4.626 7.791 4.709 -0.000 0.000 -0.000 3/36288 760.0 4.564 7.687 4.645 -0.000 0.000 -0.000 3/36288 770.0 4.503 7.585 4.582 -0.000 0.000 -0.000 3/36288 780.0 4.445 7.487 4.521 -0.000 0.000 -0.000 3/36288 790.0 4.387 7.390 4.462 -0.000 0.000 -0.000 3/36288 800.0 4.331 7.297 4.405 -0.000 0.000 -0.000 3/36288 810.0 4.277 7.205 4.349 -0.000 0.000 -0.000 3/36288 820.0 4.224 7.116 4.294 -0.000 0.000 -0.000 3/36288 830.0 4.172 7.030 4.241 -0.000 0.000 -0.000 3/36288 840.0 4.122 6.945 4.189 -0.000 0.000 -0.000 3/36288 850.0 4.072 6.862 4.138 -0.000 0.000 -0.000 3/36288 860.0 4.024 6.781 4.089 -0.000 0.000 -0.000 3/36288 870.0 3.977 6.703 4.041 -0.000 0.000 -0.000 3/36288 880.0 3.932 6.626 3.994 -0.000 0.000 -0.000 3/36288 890.0 3.887 6.550 3.948 -0.000 0.000 -0.000 3/36288 900.0 3.843 6.477 3.903 -0.000 0.000 -0.000 3/36288 910.0 3.800 6.405 3.859 -0.000 0.000 -0.000 3/36288 920.0 3.758 6.335 3.816 -0.000 0.000 -0.000 3/36288 930.0 3.717 6.266 3.774 -0.000 0.000 -0.000 3/36288 940.0 3.677 6.199 3.733 -0.000 0.000 -0.000 3/36288 950.0 3.638 6.133 3.693 -0.000 0.000 -0.000 3/36288 960.0 3.600 6.068 3.653 -0.000 0.000 -0.000 3/36288 970.0 3.562 6.005 3.615 -0.000 0.000 -0.000 3/36288 980.0 3.525 5.944 3.577 -0.000 0.000 -0.000 3/36288 990.0 3.489 5.883 3.541 -0.000 0.000 -0.000 3/36288 1000.0 3.454 5.824 3.504 -0.000 0.000 -0.000 3/36288 Thermal conductivity related properties were written into "kappa-m16144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:29:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|