----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:41:04]------------------------- 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 -3.122428105000000 3.182999150000000 4.429388595000000 b 3.122428105000000 -3.182999150000000 4.429388595000000 c 3.122428105000000 3.182999150000000 -4.429388595000000 Atomic positions (fractional): *1 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *3 In 0.88172029034984 0.63172029034984 0.25000000000000 114.818 4 In 0.11827970965016 0.36827970965016 0.75000000000000 114.818 *5 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 6 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 *7 O 0.26754682642156 0.24281175807678 0.02473506834478 15.999 8 O 0.71807668973200 0.24281175807677 0.47526493165522 15.999 *9 O 0.26193243959327 0.77570200577907 0.01376956618580 15.999 10 O 0.73806756040673 0.75183712659254 0.51376956618580 15.999 11 O 0.26193243959327 0.24816287340747 0.48623043381420 15.999 12 O 0.73806756040673 0.22429799422093 0.98623043381420 15.999 13 O 0.28192331026800 0.75718824192322 0.52473506834478 15.999 14 O 0.73245317357844 0.75718824192322 0.97526493165522 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.244856210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.365998299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.858777190000000 Atomic positions (fractional): *1 Mg 0.25000000000000 0.75000000000000 0.75000000000000 24.305 > 1 2 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 > 2 3 Mg 0.75000000000000 0.25000000000000 0.25000000000000 24.305 > 1 4 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 > 2 *5 In 0.50000000000000 0.75000000000000 0.13172029034984 114.818 > 3 6 In 0.50000000000000 0.25000000000000 0.86827970965016 114.818 > 4 *7 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 5 8 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 6 9 In 0.00000000000000 0.25000000000000 0.63172029034984 114.818 > 3 10 In 0.00000000000000 0.75000000000000 0.36827970965016 114.818 > 4 11 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 5 12 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 6 *13 O 0.50000000000000 0.52473506834478 0.74281175807678 15.999 > 7 14 O 0.00000000000000 0.47526493165522 0.24281175807677 15.999 > 8 *15 O 0.76376956618580 0.25000000000000 0.01193243959327 15.999 > 9 16 O 0.76376956618580 0.75000000000000 0.98806756040673 15.999 > 10 17 O 0.23623043381420 0.25000000000000 0.01193243959327 15.999 > 11 18 O 0.23623043381420 0.75000000000000 0.98806756040673 15.999 > 12 19 O 0.00000000000000 0.52473506834478 0.75718824192322 15.999 > 13 20 O 0.50000000000000 0.47526493165522 0.25718824192322 15.999 > 14 21 O 0.00000000000000 0.02473506834478 0.24281175807677 15.999 > 7 22 O 0.50000000000000 0.97526493165522 0.74281175807678 15.999 > 8 23 O 0.26376956618580 0.75000000000000 0.51193243959327 15.999 > 9 24 O 0.26376956618580 0.25000000000000 0.48806756040673 15.999 > 10 25 O 0.73623043381420 0.75000000000000 0.51193243959327 15.999 > 11 26 O 0.73623043381420 0.25000000000000 0.48806756040673 15.999 > 12 27 O 0.50000000000000 0.02473506834478 0.25718824192322 15.999 > 13 28 O 0.00000000000000 0.97526493165522 0.75718824192322 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.489712420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.731996599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.858777190000000 Atomic positions (fractional): *1 Mg 0.12500000000000 0.37500000000000 0.75000000000000 24.305 > 1 2 Mg 0.62500000000000 0.37500000000000 0.75000000000000 24.305 > 1 3 Mg 0.12500000000000 0.87500000000000 0.75000000000000 24.305 > 1 4 Mg 0.62500000000000 0.87500000000000 0.75000000000000 24.305 > 1 5 Mg 0.37500000000000 0.37500000000000 0.75000000000000 24.305 > 2 6 Mg 0.87500000000000 0.37500000000000 0.75000000000000 24.305 > 2 7 Mg 0.37500000000000 0.87500000000000 0.75000000000000 24.305 > 2 8 Mg 0.87500000000000 0.87500000000000 0.75000000000000 24.305 > 2 9 Mg 0.37500000000000 0.12500000000000 0.25000000000000 24.305 > 1 10 Mg 0.87500000000000 0.12500000000000 0.25000000000000 24.305 > 1 11 Mg 0.37500000000000 0.62500000000000 0.25000000000000 24.305 > 1 12 Mg 0.87500000000000 0.62500000000000 0.25000000000000 24.305 > 1 13 Mg 0.12500000000000 0.12500000000000 0.25000000000000 24.305 > 2 14 Mg 0.62500000000000 0.12500000000000 0.25000000000000 24.305 > 2 15 Mg 0.12500000000000 0.62500000000000 0.25000000000000 24.305 > 2 16 Mg 0.62500000000000 0.62500000000000 0.25000000000000 24.305 > 2 *17 In 0.25000000000000 0.37500000000000 0.13172029034984 114.818 > 3 18 In 0.75000000000000 0.37500000000000 0.13172029034984 114.818 > 3 19 In 0.25000000000000 0.87500000000000 0.13172029034984 114.818 > 3 20 In 0.75000000000000 0.87500000000000 0.13172029034984 114.818 > 3 21 In 0.25000000000000 0.12500000000000 0.86827970965016 114.818 > 4 22 In 0.75000000000000 0.12500000000000 0.86827970965016 114.818 > 4 23 In 0.25000000000000 0.62500000000000 0.86827970965016 114.818 > 4 24 In 0.75000000000000 0.62500000000000 0.86827970965016 114.818 > 4 *25 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 5 26 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 5 27 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 5 28 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 5 29 In 0.00000000000000 0.25000000000000 0.00000000000000 114.818 > 6 30 In 0.50000000000000 0.25000000000000 0.00000000000000 114.818 > 6 31 In 0.00000000000000 0.75000000000000 0.00000000000000 114.818 > 6 32 In 0.50000000000000 0.75000000000000 0.00000000000000 114.818 > 6 33 In 0.00000000000000 0.12500000000000 0.63172029034984 114.818 > 3 34 In 0.50000000000000 0.12500000000000 0.63172029034984 114.818 > 3 35 In 0.00000000000000 0.62500000000000 0.63172029034984 114.818 > 3 36 In 0.50000000000000 0.62500000000000 0.63172029034984 114.818 > 3 37 In 0.00000000000000 0.37500000000000 0.36827970965016 114.818 > 4 38 In 0.50000000000000 0.37500000000000 0.36827970965016 114.818 > 4 39 In 0.00000000000000 0.87500000000000 0.36827970965016 114.818 > 4 40 In 0.50000000000000 0.87500000000000 0.36827970965016 114.818 > 4 41 In 0.25000000000000 0.25000000000000 0.50000000000000 114.818 > 5 42 In 0.75000000000000 0.25000000000000 0.50000000000000 114.818 > 5 43 In 0.25000000000000 0.75000000000000 0.50000000000000 114.818 > 5 44 In 0.75000000000000 0.75000000000000 0.50000000000000 114.818 > 5 45 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 6 46 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 6 47 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 6 48 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 6 *49 O 0.25000000000000 0.26236753417239 0.74281175807678 15.999 > 7 50 O 0.75000000000000 0.26236753417239 0.74281175807678 15.999 > 7 51 O 0.25000000000000 0.76236753417239 0.74281175807678 15.999 > 7 52 O 0.75000000000000 0.76236753417239 0.74281175807678 15.999 > 7 53 O 0.00000000000000 0.23763246582761 0.24281175807677 15.999 > 8 54 O 0.50000000000000 0.23763246582761 0.24281175807677 15.999 > 8 55 O 0.00000000000000 0.73763246582761 0.24281175807677 15.999 > 8 56 O 0.50000000000000 0.73763246582761 0.24281175807677 15.999 > 8 *57 O 0.38188478309290 0.12500000000000 0.01193243959327 15.999 > 9 58 O 0.88188478309290 0.12500000000000 0.01193243959327 15.999 > 9 59 O 0.38188478309290 0.62500000000000 0.01193243959327 15.999 > 9 60 O 0.88188478309290 0.62500000000000 0.01193243959327 15.999 > 9 61 O 0.38188478309290 0.37500000000000 0.98806756040673 15.999 > 10 62 O 0.88188478309290 0.37500000000000 0.98806756040673 15.999 > 10 63 O 0.38188478309290 0.87500000000000 0.98806756040673 15.999 > 10 64 O 0.88188478309290 0.87500000000000 0.98806756040673 15.999 > 10 65 O 0.11811521690710 0.12500000000000 0.01193243959327 15.999 > 11 66 O 0.61811521690710 0.12500000000000 0.01193243959327 15.999 > 11 67 O 0.11811521690710 0.62500000000000 0.01193243959327 15.999 > 11 68 O 0.61811521690710 0.62500000000000 0.01193243959327 15.999 > 11 69 O 0.11811521690710 0.37500000000000 0.98806756040673 15.999 > 12 70 O 0.61811521690710 0.37500000000000 0.98806756040673 15.999 > 12 71 O 0.11811521690710 0.87500000000000 0.98806756040673 15.999 > 12 72 O 0.61811521690710 0.87500000000000 0.98806756040673 15.999 > 12 73 O 0.00000000000000 0.26236753417239 0.75718824192322 15.999 > 13 74 O 0.50000000000000 0.26236753417239 0.75718824192322 15.999 > 13 75 O 0.00000000000000 0.76236753417239 0.75718824192322 15.999 > 13 76 O 0.50000000000000 0.76236753417239 0.75718824192322 15.999 > 13 77 O 0.25000000000000 0.23763246582761 0.25718824192322 15.999 > 14 78 O 0.75000000000000 0.23763246582761 0.25718824192322 15.999 > 14 79 O 0.25000000000000 0.73763246582761 0.25718824192322 15.999 > 14 80 O 0.75000000000000 0.73763246582761 0.25718824192322 15.999 > 14 81 O 0.00000000000000 0.01236753417239 0.24281175807677 15.999 > 7 82 O 0.50000000000000 0.01236753417239 0.24281175807677 15.999 > 7 83 O 0.00000000000000 0.51236753417239 0.24281175807677 15.999 > 7 84 O 0.50000000000000 0.51236753417239 0.24281175807677 15.999 > 7 85 O 0.25000000000000 0.48763246582761 0.74281175807678 15.999 > 8 86 O 0.75000000000000 0.48763246582761 0.74281175807678 15.999 > 8 87 O 0.25000000000000 0.98763246582761 0.74281175807678 15.999 > 8 88 O 0.75000000000000 0.98763246582761 0.74281175807678 15.999 > 8 89 O 0.13188478309290 0.37500000000000 0.51193243959327 15.999 > 9 90 O 0.63188478309290 0.37500000000000 0.51193243959327 15.999 > 9 91 O 0.13188478309290 0.87500000000000 0.51193243959327 15.999 > 9 92 O 0.63188478309290 0.87500000000000 0.51193243959327 15.999 > 9 93 O 0.13188478309290 0.12500000000000 0.48806756040673 15.999 > 10 94 O 0.63188478309290 0.12500000000000 0.48806756040673 15.999 > 10 95 O 0.13188478309290 0.62500000000000 0.48806756040673 15.999 > 10 96 O 0.63188478309290 0.62500000000000 0.48806756040673 15.999 > 10 97 O 0.36811521690710 0.37500000000000 0.51193243959327 15.999 > 11 98 O 0.86811521690710 0.37500000000000 0.51193243959327 15.999 > 11 99 O 0.36811521690710 0.87500000000000 0.51193243959327 15.999 > 11 100 O 0.86811521690710 0.87500000000000 0.51193243959327 15.999 > 11 101 O 0.36811521690710 0.12500000000000 0.48806756040673 15.999 > 12 102 O 0.86811521690710 0.12500000000000 0.48806756040673 15.999 > 12 103 O 0.36811521690710 0.62500000000000 0.48806756040673 15.999 > 12 104 O 0.86811521690710 0.62500000000000 0.48806756040673 15.999 > 12 105 O 0.25000000000000 0.01236753417239 0.25718824192322 15.999 > 13 106 O 0.75000000000000 0.01236753417239 0.25718824192322 15.999 > 13 107 O 0.25000000000000 0.51236753417239 0.25718824192322 15.999 > 13 108 O 0.75000000000000 0.51236753417239 0.25718824192322 15.999 > 13 109 O 0.00000000000000 0.48763246582761 0.75718824192322 15.999 > 14 110 O 0.50000000000000 0.48763246582761 0.75718824192322 15.999 > 14 111 O 0.00000000000000 0.98763246582761 0.75718824192322 15.999 > 14 112 O 0.50000000000000 0.98763246582761 0.75718824192322 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4959447 0.0000000 0.0000000 0.0000000 4.5866839 0.0000000 0.0000000 0.0000000 4.5004940 -------------------------- Born effective charges -------------------------- 1 Mg 2.0422869 0.0000000 -0.1325087 0.0000000 2.2940100 0.0000000 -0.1822483 0.0000000 2.1505794 2 Mg 2.0422869 0.0000000 0.1325087 0.0000000 2.2940100 0.0000000 0.1822483 0.0000000 2.1505794 3 In 3.2636674 0.0000000 0.0000000 0.0000000 2.8184967 0.0000000 0.0000000 0.0000000 3.0707428 4 In 3.2636674 0.0000000 0.0000000 0.0000000 2.8184967 0.0000000 0.0000000 0.0000000 3.0707428 5 In 2.9720648 0.0000000 0.0000000 0.0000000 3.3182162 -0.2562964 0.0000000 -0.2529762 3.1360511 6 In 2.9720648 0.0000000 0.0000000 0.0000000 3.3182162 0.2562964 0.0000000 0.2529762 3.1360511 7 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 0.3694189 0.0000000 0.3492069 -2.2112223 8 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 -0.3694189 0.0000000 -0.3492069 -2.2112223 9 O -2.4572009 0.0000000 -0.3740728 0.0000000 -2.0194273 0.0000000 -0.3950515 0.0000000 -1.9674644 10 O -2.4572009 0.0000000 0.3740728 0.0000000 -2.0194273 0.0000000 0.3950515 0.0000000 -1.9674644 11 O -2.4572009 0.0000000 0.3740728 0.0000000 -2.0194273 0.0000000 0.3950515 0.0000000 -1.9674644 12 O -2.4572009 0.0000000 -0.3740728 0.0000000 -2.0194273 0.0000000 -0.3950515 0.0000000 -1.9674644 13 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 -0.3694189 0.0000000 -0.3492069 -2.2112223 14 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 0.3694189 0.0000000 0.3492069 -2.2112223 ---------------------------------------------------------------------------- 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: 1.077 Solver_block: 200 / 240 - Time: 1.067 Solver_block: 240 / 240 - Time: 0.495 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.656 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:41:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:41:17]------------------------- 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 -3.122428105000000 3.182999150000000 4.429388595000000 b 3.122428105000000 -3.182999150000000 4.429388595000000 c 3.122428105000000 3.182999150000000 -4.429388595000000 Atomic positions (fractional): 1 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 3 In 0.88172029034984 0.63172029034984 0.25000000000000 114.818 4 In 0.11827970965016 0.36827970965016 0.75000000000000 114.818 5 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 6 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 7 O 0.26754682642156 0.24281175807678 0.02473506834478 15.999 8 O 0.71807668973200 0.24281175807677 0.47526493165522 15.999 9 O 0.26193243959327 0.77570200577907 0.01376956618580 15.999 10 O 0.73806756040673 0.75183712659254 0.51376956618580 15.999 11 O 0.26193243959327 0.24816287340747 0.48623043381420 15.999 12 O 0.73806756040673 0.22429799422093 0.98623043381420 15.999 13 O 0.28192331026800 0.75718824192322 0.52473506834478 15.999 14 O 0.73245317357844 0.75718824192322 0.97526493165522 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.489712420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.731996599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.858777190000000 Atomic positions (fractional): 1 Mg 0.12500000000000 0.37500000000000 0.75000000000000 24.305 > 1 2 Mg 0.62500000000000 0.37500000000000 0.75000000000000 24.305 > 1 3 Mg 0.12500000000000 0.87500000000000 0.75000000000000 24.305 > 1 4 Mg 0.62500000000000 0.87500000000000 0.75000000000000 24.305 > 1 5 Mg 0.37500000000000 0.37500000000000 0.75000000000000 24.305 > 5 6 Mg 0.87500000000000 0.37500000000000 0.75000000000000 24.305 > 5 7 Mg 0.37500000000000 0.87500000000000 0.75000000000000 24.305 > 5 8 Mg 0.87500000000000 0.87500000000000 0.75000000000000 24.305 > 5 9 Mg 0.37500000000000 0.12500000000000 0.25000000000000 24.305 > 1 10 Mg 0.87500000000000 0.12500000000000 0.25000000000000 24.305 > 1 11 Mg 0.37500000000000 0.62500000000000 0.25000000000000 24.305 > 1 12 Mg 0.87500000000000 0.62500000000000 0.25000000000000 24.305 > 1 13 Mg 0.12500000000000 0.12500000000000 0.25000000000000 24.305 > 5 14 Mg 0.62500000000000 0.12500000000000 0.25000000000000 24.305 > 5 15 Mg 0.12500000000000 0.62500000000000 0.25000000000000 24.305 > 5 16 Mg 0.62500000000000 0.62500000000000 0.25000000000000 24.305 > 5 17 In 0.25000000000000 0.37500000000000 0.13172029034984 114.818 > 17 18 In 0.75000000000000 0.37500000000000 0.13172029034984 114.818 > 17 19 In 0.25000000000000 0.87500000000000 0.13172029034984 114.818 > 17 20 In 0.75000000000000 0.87500000000000 0.13172029034984 114.818 > 17 21 In 0.25000000000000 0.12500000000000 0.86827970965016 114.818 > 21 22 In 0.75000000000000 0.12500000000000 0.86827970965016 114.818 > 21 23 In 0.25000000000000 0.62500000000000 0.86827970965016 114.818 > 21 24 In 0.75000000000000 0.62500000000000 0.86827970965016 114.818 > 21 25 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 25 26 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 25 27 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 25 28 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 25 29 In 0.00000000000000 0.25000000000000 0.00000000000000 114.818 > 29 30 In 0.50000000000000 0.25000000000000 0.00000000000000 114.818 > 29 31 In 0.00000000000000 0.75000000000000 0.00000000000000 114.818 > 29 32 In 0.50000000000000 0.75000000000000 0.00000000000000 114.818 > 29 33 In 0.00000000000000 0.12500000000000 0.63172029034984 114.818 > 17 34 In 0.50000000000000 0.12500000000000 0.63172029034984 114.818 > 17 35 In 0.00000000000000 0.62500000000000 0.63172029034984 114.818 > 17 36 In 0.50000000000000 0.62500000000000 0.63172029034984 114.818 > 17 37 In 0.00000000000000 0.37500000000000 0.36827970965016 114.818 > 21 38 In 0.50000000000000 0.37500000000000 0.36827970965016 114.818 > 21 39 In 0.00000000000000 0.87500000000000 0.36827970965016 114.818 > 21 40 In 0.50000000000000 0.87500000000000 0.36827970965016 114.818 > 21 41 In 0.25000000000000 0.25000000000000 0.50000000000000 114.818 > 25 42 In 0.75000000000000 0.25000000000000 0.50000000000000 114.818 > 25 43 In 0.25000000000000 0.75000000000000 0.50000000000000 114.818 > 25 44 In 0.75000000000000 0.75000000000000 0.50000000000000 114.818 > 25 45 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 29 46 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 29 47 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 29 48 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 29 49 O 0.25000000000000 0.26236753417239 0.74281175807678 15.999 > 49 50 O 0.75000000000000 0.26236753417239 0.74281175807678 15.999 > 49 51 O 0.25000000000000 0.76236753417239 0.74281175807678 15.999 > 49 52 O 0.75000000000000 0.76236753417239 0.74281175807678 15.999 > 49 53 O 0.00000000000000 0.23763246582761 0.24281175807677 15.999 > 53 54 O 0.50000000000000 0.23763246582761 0.24281175807677 15.999 > 53 55 O 0.00000000000000 0.73763246582761 0.24281175807677 15.999 > 53 56 O 0.50000000000000 0.73763246582761 0.24281175807677 15.999 > 53 57 O 0.38188478309290 0.12500000000000 0.01193243959327 15.999 > 57 58 O 0.88188478309290 0.12500000000000 0.01193243959327 15.999 > 57 59 O 0.38188478309290 0.62500000000000 0.01193243959327 15.999 > 57 60 O 0.88188478309290 0.62500000000000 0.01193243959327 15.999 > 57 61 O 0.38188478309290 0.37500000000000 0.98806756040673 15.999 > 61 62 O 0.88188478309290 0.37500000000000 0.98806756040673 15.999 > 61 63 O 0.38188478309290 0.87500000000000 0.98806756040673 15.999 > 61 64 O 0.88188478309290 0.87500000000000 0.98806756040673 15.999 > 61 65 O 0.11811521690710 0.12500000000000 0.01193243959327 15.999 > 65 66 O 0.61811521690710 0.12500000000000 0.01193243959327 15.999 > 65 67 O 0.11811521690710 0.62500000000000 0.01193243959327 15.999 > 65 68 O 0.61811521690710 0.62500000000000 0.01193243959327 15.999 > 65 69 O 0.11811521690710 0.37500000000000 0.98806756040673 15.999 > 69 70 O 0.61811521690710 0.37500000000000 0.98806756040673 15.999 > 69 71 O 0.11811521690710 0.87500000000000 0.98806756040673 15.999 > 69 72 O 0.61811521690710 0.87500000000000 0.98806756040673 15.999 > 69 73 O 0.00000000000000 0.26236753417239 0.75718824192322 15.999 > 73 74 O 0.50000000000000 0.26236753417239 0.75718824192322 15.999 > 73 75 O 0.00000000000000 0.76236753417239 0.75718824192322 15.999 > 73 76 O 0.50000000000000 0.76236753417239 0.75718824192322 15.999 > 73 77 O 0.25000000000000 0.23763246582761 0.25718824192322 15.999 > 77 78 O 0.75000000000000 0.23763246582761 0.25718824192322 15.999 > 77 79 O 0.25000000000000 0.73763246582761 0.25718824192322 15.999 > 77 80 O 0.75000000000000 0.73763246582761 0.25718824192322 15.999 > 77 81 O 0.00000000000000 0.01236753417239 0.24281175807677 15.999 > 49 82 O 0.50000000000000 0.01236753417239 0.24281175807677 15.999 > 49 83 O 0.00000000000000 0.51236753417239 0.24281175807677 15.999 > 49 84 O 0.50000000000000 0.51236753417239 0.24281175807677 15.999 > 49 85 O 0.25000000000000 0.48763246582761 0.74281175807678 15.999 > 53 86 O 0.75000000000000 0.48763246582761 0.74281175807678 15.999 > 53 87 O 0.25000000000000 0.98763246582761 0.74281175807678 15.999 > 53 88 O 0.75000000000000 0.98763246582761 0.74281175807678 15.999 > 53 89 O 0.13188478309290 0.37500000000000 0.51193243959327 15.999 > 57 90 O 0.63188478309290 0.37500000000000 0.51193243959327 15.999 > 57 91 O 0.13188478309290 0.87500000000000 0.51193243959327 15.999 > 57 92 O 0.63188478309290 0.87500000000000 0.51193243959327 15.999 > 57 93 O 0.13188478309290 0.12500000000000 0.48806756040673 15.999 > 61 94 O 0.63188478309290 0.12500000000000 0.48806756040673 15.999 > 61 95 O 0.13188478309290 0.62500000000000 0.48806756040673 15.999 > 61 96 O 0.63188478309290 0.62500000000000 0.48806756040673 15.999 > 61 97 O 0.36811521690710 0.37500000000000 0.51193243959327 15.999 > 65 98 O 0.86811521690710 0.37500000000000 0.51193243959327 15.999 > 65 99 O 0.36811521690710 0.87500000000000 0.51193243959327 15.999 > 65 100 O 0.86811521690710 0.87500000000000 0.51193243959327 15.999 > 65 101 O 0.36811521690710 0.12500000000000 0.48806756040673 15.999 > 69 102 O 0.86811521690710 0.12500000000000 0.48806756040673 15.999 > 69 103 O 0.36811521690710 0.62500000000000 0.48806756040673 15.999 > 69 104 O 0.86811521690710 0.62500000000000 0.48806756040673 15.999 > 69 105 O 0.25000000000000 0.01236753417239 0.25718824192322 15.999 > 73 106 O 0.75000000000000 0.01236753417239 0.25718824192322 15.999 > 73 107 O 0.25000000000000 0.51236753417239 0.25718824192322 15.999 > 73 108 O 0.75000000000000 0.51236753417239 0.25718824192322 15.999 > 73 109 O 0.00000000000000 0.48763246582761 0.75718824192322 15.999 > 77 110 O 0.50000000000000 0.48763246582761 0.75718824192322 15.999 > 77 111 O 0.00000000000000 0.98763246582761 0.75718824192322 15.999 > 77 112 O 0.50000000000000 0.98763246582761 0.75718824192322 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4959447 0.0000000 0.0000000 0.0000000 4.5866839 0.0000000 0.0000000 0.0000000 4.5004940 -------------------------- Born effective charges -------------------------- 1 Mg 2.0422869 0.0000000 -0.1325087 0.0000000 2.2940100 0.0000000 -0.1822483 0.0000000 2.1505794 2 Mg 2.0422869 0.0000000 0.1325087 0.0000000 2.2940100 0.0000000 0.1822483 0.0000000 2.1505794 3 In 3.2636674 0.0000000 0.0000000 0.0000000 2.8184967 0.0000000 0.0000000 0.0000000 3.0707428 4 In 3.2636674 0.0000000 0.0000000 0.0000000 2.8184967 0.0000000 0.0000000 0.0000000 3.0707428 5 In 2.9720648 0.0000000 0.0000000 0.0000000 3.3182162 -0.2562964 0.0000000 -0.2529762 3.1360511 6 In 2.9720648 0.0000000 0.0000000 0.0000000 3.3182162 0.2562964 0.0000000 0.2529762 3.1360511 7 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 0.3694189 0.0000000 0.3492069 -2.2112223 8 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 -0.3694189 0.0000000 -0.3492069 -2.2112223 9 O -2.4572009 0.0000000 -0.3740728 0.0000000 -2.0194273 0.0000000 -0.3950515 0.0000000 -1.9674644 10 O -2.4572009 0.0000000 0.3740728 0.0000000 -2.0194273 0.0000000 0.3950515 0.0000000 -1.9674644 11 O -2.4572009 0.0000000 0.3740728 0.0000000 -2.0194273 0.0000000 0.3950515 0.0000000 -1.9674644 12 O -2.4572009 0.0000000 -0.3740728 0.0000000 -2.0194273 0.0000000 -0.3950515 0.0000000 -1.9674644 13 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 -0.3694189 0.0000000 -0.3492069 -2.2112223 14 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 0.3694189 0.0000000 0.3492069 -2.2112223 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xzx) -0.00000004 (xzx) -0.00000004 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:41:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:41:32]------------------------- 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 -3.122428105000000 3.182999150000000 4.429388595000000 b 3.122428105000000 -3.182999150000000 4.429388595000000 c 3.122428105000000 3.182999150000000 -4.429388595000000 Atomic positions (fractional): 1 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 3 In 0.88172029034984 0.63172029034984 0.25000000000000 114.818 4 In 0.11827970965016 0.36827970965016 0.75000000000000 114.818 5 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 6 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 7 O 0.26754682642156 0.24281175807678 0.02473506834478 15.999 8 O 0.71807668973200 0.24281175807677 0.47526493165522 15.999 9 O 0.26193243959327 0.77570200577907 0.01376956618580 15.999 10 O 0.73806756040673 0.75183712659254 0.51376956618580 15.999 11 O 0.26193243959327 0.24816287340747 0.48623043381420 15.999 12 O 0.73806756040673 0.22429799422093 0.98623043381420 15.999 13 O 0.28192331026800 0.75718824192322 0.52473506834478 15.999 14 O 0.73245317357844 0.75718824192322 0.97526493165522 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.489712420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.731996599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.858777190000000 Atomic positions (fractional): 1 Mg 0.12500000000000 0.37500000000000 0.75000000000000 24.305 > 1 2 Mg 0.62500000000000 0.37500000000000 0.75000000000000 24.305 > 1 3 Mg 0.12500000000000 0.87500000000000 0.75000000000000 24.305 > 1 4 Mg 0.62500000000000 0.87500000000000 0.75000000000000 24.305 > 1 5 Mg 0.37500000000000 0.37500000000000 0.75000000000000 24.305 > 5 6 Mg 0.87500000000000 0.37500000000000 0.75000000000000 24.305 > 5 7 Mg 0.37500000000000 0.87500000000000 0.75000000000000 24.305 > 5 8 Mg 0.87500000000000 0.87500000000000 0.75000000000000 24.305 > 5 9 Mg 0.37500000000000 0.12500000000000 0.25000000000000 24.305 > 1 10 Mg 0.87500000000000 0.12500000000000 0.25000000000000 24.305 > 1 11 Mg 0.37500000000000 0.62500000000000 0.25000000000000 24.305 > 1 12 Mg 0.87500000000000 0.62500000000000 0.25000000000000 24.305 > 1 13 Mg 0.12500000000000 0.12500000000000 0.25000000000000 24.305 > 5 14 Mg 0.62500000000000 0.12500000000000 0.25000000000000 24.305 > 5 15 Mg 0.12500000000000 0.62500000000000 0.25000000000000 24.305 > 5 16 Mg 0.62500000000000 0.62500000000000 0.25000000000000 24.305 > 5 17 In 0.25000000000000 0.37500000000000 0.13172029034984 114.818 > 17 18 In 0.75000000000000 0.37500000000000 0.13172029034984 114.818 > 17 19 In 0.25000000000000 0.87500000000000 0.13172029034984 114.818 > 17 20 In 0.75000000000000 0.87500000000000 0.13172029034984 114.818 > 17 21 In 0.25000000000000 0.12500000000000 0.86827970965016 114.818 > 21 22 In 0.75000000000000 0.12500000000000 0.86827970965016 114.818 > 21 23 In 0.25000000000000 0.62500000000000 0.86827970965016 114.818 > 21 24 In 0.75000000000000 0.62500000000000 0.86827970965016 114.818 > 21 25 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 25 26 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 25 27 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 25 28 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 25 29 In 0.00000000000000 0.25000000000000 0.00000000000000 114.818 > 29 30 In 0.50000000000000 0.25000000000000 0.00000000000000 114.818 > 29 31 In 0.00000000000000 0.75000000000000 0.00000000000000 114.818 > 29 32 In 0.50000000000000 0.75000000000000 0.00000000000000 114.818 > 29 33 In 0.00000000000000 0.12500000000000 0.63172029034984 114.818 > 17 34 In 0.50000000000000 0.12500000000000 0.63172029034984 114.818 > 17 35 In 0.00000000000000 0.62500000000000 0.63172029034984 114.818 > 17 36 In 0.50000000000000 0.62500000000000 0.63172029034984 114.818 > 17 37 In 0.00000000000000 0.37500000000000 0.36827970965016 114.818 > 21 38 In 0.50000000000000 0.37500000000000 0.36827970965016 114.818 > 21 39 In 0.00000000000000 0.87500000000000 0.36827970965016 114.818 > 21 40 In 0.50000000000000 0.87500000000000 0.36827970965016 114.818 > 21 41 In 0.25000000000000 0.25000000000000 0.50000000000000 114.818 > 25 42 In 0.75000000000000 0.25000000000000 0.50000000000000 114.818 > 25 43 In 0.25000000000000 0.75000000000000 0.50000000000000 114.818 > 25 44 In 0.75000000000000 0.75000000000000 0.50000000000000 114.818 > 25 45 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 29 46 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 29 47 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 29 48 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 29 49 O 0.25000000000000 0.26236753417239 0.74281175807678 15.999 > 49 50 O 0.75000000000000 0.26236753417239 0.74281175807678 15.999 > 49 51 O 0.25000000000000 0.76236753417239 0.74281175807678 15.999 > 49 52 O 0.75000000000000 0.76236753417239 0.74281175807678 15.999 > 49 53 O 0.00000000000000 0.23763246582761 0.24281175807677 15.999 > 53 54 O 0.50000000000000 0.23763246582761 0.24281175807677 15.999 > 53 55 O 0.00000000000000 0.73763246582761 0.24281175807677 15.999 > 53 56 O 0.50000000000000 0.73763246582761 0.24281175807677 15.999 > 53 57 O 0.38188478309290 0.12500000000000 0.01193243959327 15.999 > 57 58 O 0.88188478309290 0.12500000000000 0.01193243959327 15.999 > 57 59 O 0.38188478309290 0.62500000000000 0.01193243959327 15.999 > 57 60 O 0.88188478309290 0.62500000000000 0.01193243959327 15.999 > 57 61 O 0.38188478309290 0.37500000000000 0.98806756040673 15.999 > 61 62 O 0.88188478309290 0.37500000000000 0.98806756040673 15.999 > 61 63 O 0.38188478309290 0.87500000000000 0.98806756040673 15.999 > 61 64 O 0.88188478309290 0.87500000000000 0.98806756040673 15.999 > 61 65 O 0.11811521690710 0.12500000000000 0.01193243959327 15.999 > 65 66 O 0.61811521690710 0.12500000000000 0.01193243959327 15.999 > 65 67 O 0.11811521690710 0.62500000000000 0.01193243959327 15.999 > 65 68 O 0.61811521690710 0.62500000000000 0.01193243959327 15.999 > 65 69 O 0.11811521690710 0.37500000000000 0.98806756040673 15.999 > 69 70 O 0.61811521690710 0.37500000000000 0.98806756040673 15.999 > 69 71 O 0.11811521690710 0.87500000000000 0.98806756040673 15.999 > 69 72 O 0.61811521690710 0.87500000000000 0.98806756040673 15.999 > 69 73 O 0.00000000000000 0.26236753417239 0.75718824192322 15.999 > 73 74 O 0.50000000000000 0.26236753417239 0.75718824192322 15.999 > 73 75 O 0.00000000000000 0.76236753417239 0.75718824192322 15.999 > 73 76 O 0.50000000000000 0.76236753417239 0.75718824192322 15.999 > 73 77 O 0.25000000000000 0.23763246582761 0.25718824192322 15.999 > 77 78 O 0.75000000000000 0.23763246582761 0.25718824192322 15.999 > 77 79 O 0.25000000000000 0.73763246582761 0.25718824192322 15.999 > 77 80 O 0.75000000000000 0.73763246582761 0.25718824192322 15.999 > 77 81 O 0.00000000000000 0.01236753417239 0.24281175807677 15.999 > 49 82 O 0.50000000000000 0.01236753417239 0.24281175807677 15.999 > 49 83 O 0.00000000000000 0.51236753417239 0.24281175807677 15.999 > 49 84 O 0.50000000000000 0.51236753417239 0.24281175807677 15.999 > 49 85 O 0.25000000000000 0.48763246582761 0.74281175807678 15.999 > 53 86 O 0.75000000000000 0.48763246582761 0.74281175807678 15.999 > 53 87 O 0.25000000000000 0.98763246582761 0.74281175807678 15.999 > 53 88 O 0.75000000000000 0.98763246582761 0.74281175807678 15.999 > 53 89 O 0.13188478309290 0.37500000000000 0.51193243959327 15.999 > 57 90 O 0.63188478309290 0.37500000000000 0.51193243959327 15.999 > 57 91 O 0.13188478309290 0.87500000000000 0.51193243959327 15.999 > 57 92 O 0.63188478309290 0.87500000000000 0.51193243959327 15.999 > 57 93 O 0.13188478309290 0.12500000000000 0.48806756040673 15.999 > 61 94 O 0.63188478309290 0.12500000000000 0.48806756040673 15.999 > 61 95 O 0.13188478309290 0.62500000000000 0.48806756040673 15.999 > 61 96 O 0.63188478309290 0.62500000000000 0.48806756040673 15.999 > 61 97 O 0.36811521690710 0.37500000000000 0.51193243959327 15.999 > 65 98 O 0.86811521690710 0.37500000000000 0.51193243959327 15.999 > 65 99 O 0.36811521690710 0.87500000000000 0.51193243959327 15.999 > 65 100 O 0.86811521690710 0.87500000000000 0.51193243959327 15.999 > 65 101 O 0.36811521690710 0.12500000000000 0.48806756040673 15.999 > 69 102 O 0.86811521690710 0.12500000000000 0.48806756040673 15.999 > 69 103 O 0.36811521690710 0.62500000000000 0.48806756040673 15.999 > 69 104 O 0.86811521690710 0.62500000000000 0.48806756040673 15.999 > 69 105 O 0.25000000000000 0.01236753417239 0.25718824192322 15.999 > 73 106 O 0.75000000000000 0.01236753417239 0.25718824192322 15.999 > 73 107 O 0.25000000000000 0.51236753417239 0.25718824192322 15.999 > 73 108 O 0.75000000000000 0.51236753417239 0.25718824192322 15.999 > 73 109 O 0.00000000000000 0.48763246582761 0.75718824192322 15.999 > 77 110 O 0.50000000000000 0.48763246582761 0.75718824192322 15.999 > 77 111 O 0.00000000000000 0.98763246582761 0.75718824192322 15.999 > 77 112 O 0.50000000000000 0.98763246582761 0.75718824192322 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4959447 0.0000000 0.0000000 0.0000000 4.5866839 0.0000000 0.0000000 0.0000000 4.5004940 -------------------------- Born effective charges -------------------------- 1 Mg 2.0422869 0.0000000 -0.1325087 0.0000000 2.2940100 0.0000000 -0.1822483 0.0000000 2.1505794 2 Mg 2.0422869 0.0000000 0.1325087 0.0000000 2.2940100 0.0000000 0.1822483 0.0000000 2.1505794 3 In 3.2636674 0.0000000 0.0000000 0.0000000 2.8184967 0.0000000 0.0000000 0.0000000 3.0707428 4 In 3.2636674 0.0000000 0.0000000 0.0000000 2.8184967 0.0000000 0.0000000 0.0000000 3.0707428 5 In 2.9720648 0.0000000 0.0000000 0.0000000 3.3182162 -0.2562964 0.0000000 -0.2529762 3.1360511 6 In 2.9720648 0.0000000 0.0000000 0.0000000 3.3182162 0.2562964 0.0000000 0.2529762 3.1360511 7 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 0.3694189 0.0000000 0.3492069 -2.2112223 8 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 -0.3694189 0.0000000 -0.3492069 -2.2112223 9 O -2.4572009 0.0000000 -0.3740728 0.0000000 -2.0194273 0.0000000 -0.3950515 0.0000000 -1.9674644 10 O -2.4572009 0.0000000 0.3740728 0.0000000 -2.0194273 0.0000000 0.3950515 0.0000000 -1.9674644 11 O -2.4572009 0.0000000 0.3740728 0.0000000 -2.0194273 0.0000000 0.3950515 0.0000000 -1.9674644 12 O -2.4572009 0.0000000 -0.3740728 0.0000000 -2.0194273 0.0000000 -0.3950515 0.0000000 -1.9674644 13 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 -0.3694189 0.0000000 -0.3492069 -2.2112223 14 O -1.6818086 0.0000000 0.0000000 0.0000000 -2.1959341 0.3694189 0.0000000 0.3492069 -2.2112223 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xzx) -0.00000004 (xzx) -0.00000004 (xxz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 2 8 48 ] Grid generation matrix: [ 0 8 8 ] [ 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: 0.74, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/148) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 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 3.185 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 7.754 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.626 ( 0.000 0.000 0.000) 0.000 9.626 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 10.113 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 11.061 ( 0.000 0.000 0.000) 0.000 11.301 ( 0.000 0.000 0.000) 0.000 11.942 ( 0.000 0.000 0.000) 0.000 12.234 ( 0.000 0.000 0.000) 0.000 12.465 ( 0.000 0.000 0.000) 0.000 12.899 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.635 ( 0.000 0.000 0.000) 0.000 13.711 ( 0.000 0.000 0.000) 0.000 15.617 ( 0.000 0.000 0.000) 0.000 15.737 ( 0.000 0.000 0.000) 0.000 15.760 ( 0.000 0.000 0.000) 0.000 15.804 ( 0.000 0.000 0.000) 0.000 15.949 ( 0.000 0.000 0.000) 0.000 16.645 ( 0.000 0.000 0.000) 0.000 18.823 ( 0.000 0.000 0.000) 0.000 19.244 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/148) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -0.000 -0.000 -0.000) 0.000 2.227 ( -0.000 -0.000 -0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 -0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 8.386 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.350 ( 0.000 -0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 -0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.754 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 11.246 ( 0.000 0.000 0.000) 0.000 11.439 ( -0.000 -0.000 -0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 0.000) 0.000 12.532 ( 0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 13.334 ( 0.000 0.000 0.000) 0.000 13.405 ( 0.000 0.000 0.000) 0.000 13.444 ( -0.000 0.000 -0.000) 0.000 14.613 ( 0.000 0.000 0.000) 0.000 15.573 ( 0.000 0.000 0.000) 0.000 15.720 ( 0.000 0.000 0.000) 0.000 15.837 ( 0.000 0.000 0.000) 0.000 16.078 ( 0.000 0.000 0.000) 0.000 17.521 ( 0.000 0.000 0.000) 0.000 18.092 ( 0.000 -0.000 0.000) 0.000 19.048 ( 0.000 0.000 0.000) 0.000 19.129 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/148) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 3.760 -14.615 -12.323) 19.483 2.298 ( 15.378 -4.833 -14.397) 21.613 2.778 ( 6.634 11.841 3.872) 14.114 2.976 ( 4.493 14.581 -1.152) 15.301 3.526 ( -2.037 -0.393 -0.072) 2.076 3.933 ( -0.214 -6.007 0.061) 6.011 4.239 ( 3.843 -0.769 -0.776) 3.995 4.414 ( -3.958 -13.669 -9.701) 17.223 4.630 ( -3.865 -19.842 4.198) 20.647 5.022 ( 10.985 0.152 -3.427) 11.508 5.112 ( -2.227 -8.444 -14.128) 16.609 5.405 ( 1.753 -4.701 -2.903) 5.796 6.144 ( 2.171 17.130 -0.740) 17.283 8.012 ( 10.981 -2.221 0.628) 11.221 8.022 ( 11.100 -0.067 0.961) 11.142 8.560 ( 2.658 11.919 7.790) 14.485 9.134 ( 1.947 0.187 3.257) 3.799 9.282 ( -5.368 -0.503 -4.745) 7.182 9.614 ( -0.888 4.788 -2.493) 5.471 9.685 ( -0.358 1.589 -1.960) 2.548 10.161 ( 0.156 3.586 3.249) 4.842 10.693 ( -5.925 -1.448 -3.379) 6.973 10.797 ( -3.964 -6.310 2.624) 7.900 11.111 ( -20.820 -1.051 -5.645) 21.597 11.272 ( 4.915 -1.713 -1.963) 5.563 11.592 ( 4.051 -9.419 -5.592) 11.679 11.781 ( 6.251 -11.613 -2.103) 13.355 11.929 ( -1.170 -0.214 7.455) 7.549 12.528 ( 6.302 -0.745 -4.081) 7.545 12.941 ( -3.751 15.187 6.734) 17.031 13.389 ( 3.398 -0.550 -0.431) 3.469 13.444 ( 5.523 -1.197 -5.009) 7.551 13.480 ( 3.859 0.924 -1.715) 4.323 14.500 ( -3.817 -8.049 -2.432) 9.234 15.585 ( 1.441 0.348 0.775) 1.673 15.721 ( -0.775 0.619 0.647) 1.184 15.843 ( -0.567 1.822 -0.129) 1.912 16.094 ( -0.940 2.902 -2.493) 3.939 17.396 ( 3.902 -13.816 -4.607) 15.078 18.266 ( 2.645 12.072 1.456) 12.444 18.920 ( -4.500 -7.480 0.398) 8.738 19.153 ( -2.055 4.092 1.655) 4.869 ======================= Grid point 4 (4/148) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 22.255 24.140 0.000) 32.834 0.971 ( 25.084 22.033 0.000) 33.387 1.588 ( 35.893 42.551 0.000) 55.667 3.169 ( 0.654 -4.713 -0.000) 4.758 3.249 ( 0.841 2.013 0.000) 2.182 3.784 ( -3.586 1.237 0.000) 3.793 3.875 ( -2.522 11.331 0.000) 11.608 3.998 ( -6.040 4.654 0.000) 7.625 4.190 ( 5.381 4.587 0.000) 7.071 4.318 ( -5.940 6.749 0.000) 8.990 4.549 ( 8.684 -0.718 -0.000) 8.714 5.182 ( 29.194 -10.670 -0.000) 31.083 6.229 ( 4.022 -4.728 -0.000) 6.207 7.984 ( 19.303 2.258 0.000) 19.434 8.019 ( 6.514 1.618 0.000) 6.711 8.692 ( 2.051 3.227 0.000) 3.824 9.437 ( 2.068 0.663 0.000) 2.171 9.565 ( -1.123 -6.194 -0.000) 6.295 9.696 ( 3.807 -13.328 -0.000) 13.861 9.761 ( 0.628 4.887 0.000) 4.927 10.104 ( -8.915 -5.703 -0.000) 10.583 10.359 ( 4.956 10.490 0.000) 11.602 10.626 ( -5.852 1.700 0.000) 6.094 10.655 ( 9.919 -1.263 -0.000) 9.999 10.827 ( -9.053 1.842 0.000) 9.238 11.264 ( -3.045 6.163 0.000) 6.875 11.958 ( -0.078 3.832 0.000) 3.833 12.031 ( -13.432 -1.343 -0.000) 13.499 12.584 ( 11.502 -3.276 -0.000) 11.960 13.034 ( 6.779 5.882 0.000) 8.975 13.195 ( 1.293 3.930 0.000) 4.138 13.604 ( -0.762 -2.109 -0.000) 2.243 13.672 ( 2.001 -5.496 -0.000) 5.849 13.681 ( -26.128 33.166 0.000) 42.221 15.732 ( 1.186 0.162 0.000) 1.197 15.760 ( 10.571 -1.016 -0.000) 10.620 15.782 ( -1.586 -0.699 -0.000) 1.733 15.876 ( 4.326 -5.018 -0.000) 6.625 16.729 ( -0.370 10.012 0.000) 10.019 18.593 ( 6.363 -11.017 -0.000) 12.722 18.797 ( -2.291 -0.039 0.000) 2.292 19.236 ( 0.227 -1.300 -0.000) 1.320 ======================= Grid point 5 (5/148) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 18.176 20.092 0.000) 27.094 1.832 ( 20.746 18.017 0.000) 27.477 2.980 ( 19.217 25.999 0.000) 32.330 3.082 ( 2.375 -6.251 -0.000) 6.687 3.337 ( 10.276 10.340 0.000) 14.578 3.748 ( -4.180 4.062 0.000) 5.829 3.859 ( -3.093 1.557 0.000) 3.462 4.192 ( -7.354 1.149 0.000) 7.443 4.268 ( -5.796 23.592 0.000) 24.294 4.594 ( 7.442 14.140 0.000) 15.979 4.694 ( 6.198 0.848 0.000) 6.255 5.741 ( 40.993 -4.546 -0.000) 41.244 6.154 ( 4.005 -11.976 -0.000) 12.628 8.206 ( 8.558 0.479 0.000) 8.572 8.513 ( 27.733 0.288 -0.000) 27.734 8.709 ( -7.416 0.624 0.000) 7.442 9.389 ( -3.302 -4.777 -0.000) 5.807 9.442 ( -2.987 -10.799 -0.000) 11.204 9.504 ( 0.884 -1.717 -0.000) 1.932 9.731 ( -8.927 -7.048 -0.000) 11.374 9.947 ( 4.715 7.572 0.000) 8.920 10.409 ( -17.558 -2.414 -0.000) 17.723 10.623 ( -13.024 2.548 0.000) 13.271 10.656 ( 9.442 0.465 0.000) 9.453 10.989 ( 5.235 19.628 0.000) 20.314 11.360 ( 2.091 4.789 0.000) 5.226 11.793 ( -8.546 1.281 0.000) 8.641 12.084 ( 0.316 9.135 0.000) 9.141 12.702 ( 7.347 -6.894 -0.000) 10.075 13.275 ( 0.439 -2.304 -0.000) 2.345 13.353 ( 9.530 8.612 0.000) 12.845 13.573 ( 3.432 0.405 0.000) 3.456 13.638 ( 6.017 -3.810 -0.000) 7.122 13.852 ( -11.159 21.418 0.000) 24.150 15.710 ( -3.226 -1.659 -0.000) 3.627 15.729 ( -1.506 0.830 0.000) 1.720 15.857 ( 2.446 -3.660 -0.000) 4.402 15.912 ( 8.756 -6.525 -0.000) 10.920 17.069 ( 6.836 17.603 0.000) 18.884 18.469 ( 0.656 -8.629 -0.000) 8.654 18.744 ( -3.695 1.281 0.000) 3.911 19.186 ( -0.690 -3.827 -0.000) 3.889 ======================= Grid point 6 (6/148) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 9.671 -11.447 -15.176) 21.328 2.509 ( 13.718 -10.041 -15.906) 23.281 2.972 ( -1.622 3.598 0.344) 3.962 3.370 ( -0.613 3.590 3.517) 5.063 3.423 ( -1.435 -1.336 0.276) 1.980 3.761 ( 0.567 -3.389 -3.457) 4.874 3.940 ( -5.077 -14.813 -7.758) 17.476 4.242 ( 0.026 -14.632 3.187) 14.975 4.335 ( 5.220 -3.805 -11.469) 13.163 4.723 ( -8.409 -6.378 -13.217) 16.913 5.255 ( -2.257 -2.835 -3.837) 5.278 5.722 ( 39.795 2.211 -2.236) 39.919 6.551 ( 4.570 15.234 -4.003) 16.401 8.180 ( 10.499 -0.438 -0.039) 10.508 8.390 ( 18.952 1.443 4.447) 19.520 8.750 ( -1.890 1.133 2.213) 3.123 9.159 ( -2.455 7.604 2.708) 8.437 9.240 ( -0.213 1.812 5.225) 5.534 9.549 ( -7.757 0.268 3.235) 8.409 9.865 ( 3.077 9.463 -13.878) 17.077 10.188 ( -5.220 1.287 2.096) 5.770 10.460 ( -6.430 -7.305 -2.572) 10.066 10.515 ( -13.667 -2.521 5.066) 14.792 10.766 ( -10.385 -0.260 -4.599) 11.361 11.293 ( 5.057 -11.378 -6.745) 14.161 11.450 ( 1.815 -8.708 -9.113) 12.735 11.641 ( 0.962 -4.716 3.533) 5.971 11.857 ( -1.048 -6.135 5.594) 8.368 12.722 ( 7.377 4.582 -0.848) 8.725 13.117 ( -2.697 8.784 4.776) 10.356 13.425 ( 2.784 -0.672 -2.162) 3.588 13.568 ( 7.555 -1.521 -4.083) 8.721 13.597 ( 5.047 0.383 -3.236) 6.007 14.158 ( -7.183 -13.275 -5.978) 16.235 15.648 ( 1.844 1.849 2.385) 3.536 15.713 ( -0.912 0.659 1.020) 1.519 15.913 ( 1.485 4.608 -1.078) 4.960 16.165 ( -1.349 6.593 -2.137) 7.061 17.221 ( 8.787 -15.284 -7.900) 19.319 18.506 ( -5.997 0.438 2.558) 6.535 18.679 ( -0.037 2.007 1.993) 2.829 19.209 ( -0.709 4.438 0.793) 4.564 ======================= Grid point 7 (7/148) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 10.721 -3.682 -11.745) 16.323 2.338 ( 3.381 -19.423 -13.616) 23.960 2.931 ( -4.719 1.068 -2.120) 5.283 3.122 ( -7.944 -7.432 5.660) 12.262 3.233 ( -6.707 -9.020 1.203) 11.304 3.700 ( -1.069 -1.685 -0.917) 2.196 3.800 ( -0.372 -8.542 -0.313) 8.556 4.213 ( 8.584 5.738 -4.224) 11.156 4.396 ( 1.919 -0.179 -6.772) 7.041 4.614 ( 7.941 -2.461 -11.342) 14.063 5.123 ( -9.155 0.142 -0.346) 9.162 6.660 ( 45.178 1.626 -0.419) 45.209 6.882 ( 5.678 8.617 -5.611) 11.746 8.283 ( -22.610 2.488 3.281) 22.982 8.464 ( 8.838 -0.581 -2.656) 9.247 8.952 ( 14.575 2.704 7.019) 16.402 9.220 ( 3.128 -0.718 3.615) 4.834 9.344 ( 0.396 4.265 5.599) 7.049 9.395 ( -3.906 -1.471 -2.879) 5.070 9.940 ( -10.317 1.482 1.872) 10.590 10.038 ( -6.684 -1.393 -6.617) 9.507 10.201 ( -10.883 -4.706 -0.404) 11.864 10.334 ( 0.202 5.729 -6.112) 8.379 10.705 ( -1.031 4.477 2.022) 5.019 11.075 ( 2.811 -14.099 -7.982) 16.444 11.327 ( -1.004 -5.075 -4.230) 6.683 11.602 ( -0.925 -5.050 5.147) 7.270 11.677 ( -2.011 -4.077 1.987) 4.961 12.960 ( 6.022 4.846 0.750) 7.766 13.178 ( -0.015 0.722 1.346) 1.528 13.488 ( 0.705 2.934 -3.854) 4.894 13.597 ( 1.527 -4.281 1.937) 4.941 13.691 ( 3.502 -1.656 -5.470) 6.703 13.835 ( -2.407 -6.166 -4.668) 8.099 15.693 ( -0.250 1.060 1.414) 1.785 15.726 ( 0.305 1.023 1.206) 1.610 16.060 ( 3.497 4.028 -2.673) 5.967 16.261 ( -3.444 6.530 3.034) 7.981 17.206 ( 14.512 -9.236 -10.840) 20.332 18.136 ( -13.659 -7.295 4.780) 16.206 18.890 ( 2.830 6.388 2.073) 7.287 19.288 ( 0.338 3.390 0.077) 3.408 ======================= Grid point 8 (8/148) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 11.750 13.897 0.000) 18.198 2.468 ( 13.205 11.023 0.000) 17.202 3.030 ( 3.526 -5.478 -0.000) 6.515 3.101 ( -2.912 -0.855 -0.000) 3.035 3.811 ( -0.984 7.388 0.000) 7.453 3.827 ( 1.570 -2.102 -0.000) 2.624 4.045 ( -7.141 0.466 0.000) 7.156 4.191 ( 3.836 15.191 0.000) 15.668 4.555 ( 5.985 17.775 0.000) 18.756 4.955 ( 3.295 17.330 0.000) 17.641 4.973 ( 5.214 8.114 0.000) 9.645 5.905 ( 1.973 -19.541 -0.000) 19.640 6.598 ( 47.271 0.331 -0.000) 47.272 8.303 ( -13.157 -2.956 -0.000) 13.485 8.403 ( -6.380 0.221 0.000) 6.383 8.897 ( 6.115 -10.394 -0.000) 12.059 9.110 ( 2.983 -5.629 -0.000) 6.371 9.291 ( -0.504 -2.079 -0.000) 2.139 9.405 ( -0.871 -3.677 -0.000) 3.778 9.767 ( 10.296 3.444 0.000) 10.857 9.845 ( -20.963 -3.821 -0.000) 21.309 10.293 ( 6.050 8.385 0.000) 10.340 10.400 ( -15.053 2.504 0.000) 15.260 10.732 ( 4.556 -7.069 -0.000) 8.410 11.515 ( 6.549 10.974 0.000) 12.780 11.537 ( 2.212 17.137 0.000) 17.279 11.715 ( -4.701 2.620 0.000) 5.382 12.340 ( 2.455 14.094 0.000) 14.306 12.532 ( -2.533 -14.881 -0.000) 15.095 13.068 ( -2.099 -14.048 -0.000) 14.204 13.690 ( 5.637 8.330 0.000) 10.058 13.751 ( 11.936 -3.531 -0.000) 12.447 13.814 ( 6.033 8.627 0.000) 10.527 14.033 ( -6.694 13.780 0.000) 15.320 15.606 ( -3.381 -1.049 -0.000) 3.540 15.689 ( -1.382 -2.677 -0.000) 3.013 15.837 ( 2.359 -3.151 -0.000) 3.937 15.879 ( 0.311 -3.829 -0.000) 3.841 17.599 ( 10.896 15.356 0.000) 18.829 18.287 ( -2.274 -8.266 -0.000) 8.573 18.730 ( -2.822 4.892 0.000) 5.647 19.047 ( -2.089 -7.364 -0.000) 7.655 ======================= Grid point 9 (9/148) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 1.010 -0.896 -0.000) 1.350 2.735 ( -1.010 0.896 0.000) 1.350 3.021 ( -3.863 1.163 0.000) 4.035 3.021 ( 3.863 -1.163 -0.000) 4.035 3.842 ( -5.217 2.505 0.000) 5.788 3.842 ( 5.217 -2.505 -0.000) 5.788 4.104 ( -6.989 -4.635 -0.000) 8.386 4.104 ( 6.989 4.635 0.000) 8.386 5.017 ( -4.527 -5.986 -0.000) 7.505 5.017 ( 4.527 5.986 0.000) 7.505 5.460 ( -1.815 -25.552 -0.000) 25.617 5.460 ( 1.815 25.552 0.000) 25.617 7.562 ( -42.451 -3.596 -0.000) 42.603 7.562 ( 42.451 3.596 0.000) 42.603 8.573 ( -7.734 -7.076 -0.000) 10.483 8.573 ( 7.734 7.076 0.000) 10.483 9.239 ( -3.879 -0.299 -0.000) 3.890 9.239 ( 3.879 0.299 0.000) 3.890 9.458 ( -10.404 -1.187 -0.000) 10.472 9.458 ( 10.404 1.187 0.000) 10.472 10.097 ( -17.423 0.491 0.000) 17.430 10.097 ( 17.423 -0.491 -0.000) 17.430 10.579 ( -3.321 -8.862 -0.000) 9.463 10.579 ( 3.321 8.862 0.000) 9.463 11.658 ( -4.892 0.510 0.000) 4.918 11.658 ( 4.892 -0.510 -0.000) 4.918 12.078 ( -5.433 -21.449 -0.000) 22.126 12.078 ( 5.433 21.449 0.000) 22.126 12.707 ( -3.009 -16.524 -0.000) 16.796 12.707 ( 3.009 16.524 0.000) 16.796 13.843 ( 4.829 -5.826 -0.000) 7.568 13.843 ( -4.829 5.826 0.000) 7.568 14.051 ( -6.340 -0.024 0.000) 6.340 14.051 ( 6.340 0.024 -0.000) 6.340 15.591 ( 0.279 -3.831 -0.000) 3.842 15.591 ( -0.279 3.831 0.000) 3.842 15.835 ( 2.369 -1.610 -0.000) 2.865 15.835 ( -2.369 1.610 0.000) 2.865 18.030 ( -6.740 -9.921 -0.000) 11.994 18.030 ( 6.740 9.921 0.000) 11.994 18.846 ( -0.783 -8.634 -0.000) 8.669 18.846 ( 0.783 8.634 0.000) 8.669 ======================= Grid point 11 (10/148) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.000 -0.000 -0.000) 0.000 2.154 ( 0.000 -0.000 -0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 -0.000 -0.000) 0.000 3.008 ( 0.000 -0.000 -0.000) 0.000 3.677 ( 0.000 -0.000 -0.000) 0.000 3.686 ( 0.000 -0.000 -0.000) 0.000 4.393 ( 0.000 -0.000 -0.000) 0.000 4.409 ( 0.000 -0.000 -0.000) 0.000 4.844 ( -0.000 0.000 -0.000) 0.000 4.890 ( 0.000 -0.000 -0.000) 0.000 6.980 ( 0.000 -0.000 -0.000) 0.000 7.571 ( -0.000 0.000 -0.000) 0.000 7.650 ( 0.000 -0.000 -0.000) 0.000 8.635 ( 0.000 -0.000 -0.000) 0.000 9.130 ( 0.000 -0.000 -0.000) 0.000 9.134 ( -0.000 -0.000 -0.000) 0.000 9.340 ( 0.000 -0.000 -0.000) 0.000 9.649 ( -0.000 0.000 -0.000) 0.000 9.687 ( 0.000 -0.000 0.000) 0.000 9.863 ( -0.000 0.000 0.000) 0.000 10.052 ( 0.000 -0.000 -0.000) 0.000 10.451 ( -0.000 0.000 0.000) 0.000 10.776 ( 0.000 -0.000 -0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 11.254 ( 0.000 -0.000 -0.000) 0.000 11.470 ( 0.000 -0.000 -0.000) 0.000 11.650 ( 0.000 -0.000 -0.000) 0.000 13.090 ( 0.000 -0.000 -0.000) 0.000 13.172 ( 0.000 -0.000 -0.000) 0.000 13.531 ( 0.000 -0.000 -0.000) 0.000 13.548 ( 0.000 0.000 0.000) 0.000 13.677 ( 0.000 -0.000 -0.000) 0.000 13.795 ( 0.000 -0.000 -0.000) 0.000 15.700 ( 0.000 -0.000 -0.000) 0.000 15.741 ( 0.000 -0.000 -0.000) 0.000 16.153 ( 0.000 -0.000 -0.000) 0.000 16.276 ( 0.000 0.000 0.000) 0.000 17.334 ( -0.000 0.000 0.000) 0.000 17.857 ( 0.000 -0.000 -0.000) 0.000 18.982 ( 0.000 -0.000 -0.000) 0.000 19.329 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 19 (11/148) ======================= q-point: (-0.15 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.000 -12.886 -25.965) 28.987 0.778 ( -0.000 -22.065 -17.047) 27.884 1.715 ( -0.000 -48.699 -37.050) 61.191 3.194 ( -0.000 6.220 -3.235) 7.011 3.268 ( -0.000 0.425 -3.018) 3.048 3.774 ( 0.000 -7.165 5.386) 8.964 3.944 ( -0.000 -4.219 0.080) 4.219 3.995 ( 0.000 -9.171 6.307) 11.130 4.257 ( 0.000 -2.869 7.794) 8.306 4.301 ( -0.000 -1.421 -13.120) 13.197 4.570 ( -0.000 -3.074 -9.085) 9.591 4.825 ( -0.000 -0.404 -6.187) 6.200 6.299 ( -0.000 5.910 -9.778) 11.425 7.767 ( 0.000 -2.368 1.033) 2.584 7.950 ( -0.000 -1.527 0.252) 1.547 8.736 ( -0.000 -4.282 -7.129) 8.316 9.457 ( -0.000 1.676 -5.713) 5.954 9.537 ( 0.000 4.836 3.554) 6.002 9.590 ( 0.000 10.295 0.200) 10.297 9.838 ( -0.000 -2.263 -6.315) 6.708 10.205 ( 0.000 3.464 2.014) 4.007 10.262 ( -0.000 -13.045 0.519) 13.055 10.514 ( 0.000 0.633 1.813) 1.921 10.746 ( -0.000 -3.463 -5.958) 6.891 10.980 ( -0.000 2.331 -5.628) 6.092 11.298 ( 0.000 -1.087 0.991) 1.471 11.927 ( 0.000 -2.469 3.021) 3.901 12.203 ( 0.000 -5.947 15.622) 16.715 12.261 ( -0.000 0.444 -3.136) 3.167 12.995 ( -0.000 -5.128 -3.508) 6.213 13.198 ( -0.000 -2.104 -3.015) 3.677 13.565 ( 0.000 -0.444 4.234) 4.257 13.628 ( 0.000 6.086 2.522) 6.588 13.987 ( 0.000 -20.249 8.878) 22.110 15.603 ( 0.000 -0.120 1.429) 1.434 15.762 ( -0.000 0.993 -0.998) 1.408 15.828 ( -0.000 3.938 -5.557) 6.811 15.930 ( -0.000 1.168 -7.829) 7.916 16.732 ( -0.000 -9.281 0.303) 9.286 18.635 ( -0.000 10.648 -8.788) 13.806 18.807 ( 0.000 -0.186 1.358) 1.371 19.248 ( -0.000 0.863 -1.092) 1.391 ======================= Grid point 20 (12/148) ======================= q-point: ( 0.35 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 16.744 13.907) 21.766 1.900 ( 0.000 22.197 3.558) 22.480 2.784 ( -0.000 -12.213 -4.221) 12.922 3.002 ( -0.000 -8.420 -7.969) 11.594 3.592 ( -0.000 3.805 -4.049) 5.556 3.928 ( 0.000 9.669 1.038) 9.725 4.186 ( 0.000 19.063 14.640) 24.036 4.201 ( -0.000 0.374 -4.318) 4.334 4.762 ( 0.000 21.202 -2.444) 21.342 4.835 ( 0.000 1.355 2.022) 2.434 4.953 ( 0.000 12.461 15.472) 19.866 5.171 ( 0.000 7.556 11.419) 13.692 6.054 ( 0.000 -14.200 6.701) 15.702 7.868 ( -0.000 2.333 -0.656) 2.424 7.977 ( -0.000 0.465 -2.682) 2.722 8.765 ( -0.000 -18.198 -14.040) 22.985 9.125 ( 0.000 4.082 3.155) 5.159 9.244 ( 0.000 -2.361 1.366) 2.728 9.518 ( 0.000 1.134 2.183) 2.460 9.729 ( -0.000 -3.988 0.745) 4.057 10.224 ( -0.000 -5.207 -3.546) 6.300 10.592 ( 0.000 5.292 13.518) 14.517 10.847 ( 0.000 5.358 0.319) 5.368 11.139 ( 0.000 4.560 8.653) 9.781 11.174 ( 0.000 6.702 1.981) 6.989 11.541 ( 0.000 15.130 1.183) 15.176 11.819 ( -0.000 1.024 -11.280) 11.326 12.106 ( -0.000 -2.019 -7.681) 7.942 12.338 ( 0.000 2.167 5.793) 6.185 13.102 ( -0.000 -15.641 -5.223) 16.490 13.256 ( 0.000 2.296 3.356) 4.066 13.348 ( 0.000 3.923 1.090) 4.071 13.486 ( -0.000 0.657 -3.351) 3.415 14.512 ( 0.000 8.987 0.559) 9.005 15.583 ( -0.000 0.107 -1.091) 1.096 15.725 ( 0.000 -1.291 0.880) 1.562 15.814 ( 0.000 -1.226 3.239) 3.463 16.032 ( 0.000 -0.139 4.871) 4.873 17.307 ( 0.000 15.413 1.330) 15.471 18.270 ( -0.000 -10.684 -2.190) 10.906 18.947 ( 0.000 4.579 2.400) 5.170 19.185 ( -0.000 -3.572 0.815) 3.663 ======================= Grid point 21 (13/148) ======================= q-point: ( 0.35 -0.02 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 13.829 15.005 4.273) 20.848 2.343 ( 4.270 13.346 -5.883) 15.197 2.643 ( 6.268 -5.564 -4.016) 9.294 2.947 ( 4.901 -0.655 -12.045) 13.020 3.592 ( -1.959 -0.202 -6.308) 6.609 3.994 ( 0.761 -0.706 0.037) 1.038 4.294 ( 5.091 0.749 -5.060) 7.217 4.429 ( -4.885 5.317 10.176) 12.477 4.856 ( -7.328 -2.729 2.300) 8.151 5.062 ( 9.819 4.324 -3.168) 11.187 5.132 ( -1.924 17.478 6.129) 18.621 5.456 ( 9.475 2.595 3.130) 10.311 5.837 ( -1.632 -1.037 7.753) 7.991 8.031 ( 10.776 -1.136 -1.127) 10.895 8.051 ( 9.597 -0.398 -1.436) 9.712 8.516 ( 3.362 -7.461 -8.384) 11.716 9.124 ( 2.561 -3.810 0.466) 4.614 9.260 ( -6.723 5.032 3.338) 9.037 9.542 ( -0.547 0.187 4.055) 4.096 9.695 ( -0.440 3.840 -4.259) 5.751 10.151 ( 1.423 -2.992 -2.575) 4.196 10.645 ( -4.399 3.224 5.683) 7.877 10.843 ( -3.698 -1.581 2.360) 4.663 11.014 ( -18.519 3.182 8.327) 20.553 11.295 ( 4.133 1.407 -0.501) 4.395 11.735 ( 0.965 5.743 -4.093) 7.118 11.925 ( -1.413 -2.627 -1.417) 3.302 12.081 ( 9.278 0.334 -11.930) 15.117 12.489 ( 1.748 7.103 7.466) 10.453 12.776 ( -2.557 -11.192 -4.347) 12.276 13.339 ( 5.866 -1.252 5.183) 7.927 13.482 ( 4.199 4.528 -3.333) 7.018 13.556 ( 3.868 3.283 -6.925) 8.585 14.586 ( -3.689 2.371 -0.583) 4.424 15.589 ( 0.759 -0.733 -0.778) 1.310 15.703 ( -0.489 -0.664 1.051) 1.336 15.793 ( -0.728 0.063 2.988) 3.076 16.039 ( -1.138 2.051 3.039) 3.839 17.581 ( 3.879 6.109 -1.797) 7.456 18.136 ( 1.701 -2.705 -2.085) 3.815 19.005 ( -2.015 4.374 3.542) 5.978 19.054 ( -3.919 -6.313 1.376) 7.557 ======================= Grid point 22 (14/148) ======================= q-point: (-0.15 -0.02 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 20.707 -0.000 -16.354) 26.386 0.805 ( 13.269 -0.000 -27.373) 30.419 1.671 ( 44.888 -0.000 -37.309) 58.369 3.142 ( -4.682 0.000 0.560) 4.715 3.422 ( 8.073 -0.000 -12.269) 14.687 3.620 ( -3.608 0.000 6.273) 7.237 3.841 ( -1.731 -0.000 -3.521) 3.923 3.853 ( -8.576 0.000 9.810) 13.031 4.223 ( -0.799 0.000 2.024) 2.176 4.288 ( -0.874 -0.000 -6.694) 6.751 4.639 ( 8.422 -0.000 -8.737) 12.135 5.231 ( 27.880 0.000 8.142) 29.045 6.393 ( 2.905 -0.000 -10.042) 10.454 7.922 ( 15.522 0.000 2.454) 15.715 8.023 ( 10.421 -0.000 -1.283) 10.499 8.715 ( 1.494 -0.000 -5.731) 5.923 9.487 ( 2.289 -0.000 -4.340) 4.907 9.669 ( -1.712 -0.000 -1.707) 2.418 9.749 ( 3.128 -0.000 -8.118) 8.700 9.778 ( -1.957 0.000 12.044) 12.202 10.085 ( -4.099 0.000 1.634) 4.413 10.228 ( -1.046 0.000 4.570) 4.688 10.595 ( 3.932 0.000 4.528) 5.997 10.658 ( -5.054 -0.000 -5.099) 7.179 11.022 ( -15.537 -0.000 -5.640) 16.529 11.103 ( 0.502 -0.000 -3.635) 3.670 11.905 ( -1.863 0.000 2.198) 2.881 11.914 ( -6.004 0.000 8.490) 10.399 12.545 ( 17.112 -0.000 2.365) 17.275 13.007 ( 6.252 -0.000 -3.790) 7.311 13.210 ( 0.976 -0.000 -6.200) 6.276 13.310 ( -8.075 -0.000 -8.931) 12.040 13.651 ( -2.367 -0.000 -2.565) 3.490 13.703 ( 1.591 0.000 2.519) 2.979 15.706 ( 7.060 0.000 3.301) 7.794 15.739 ( -1.808 -0.000 -1.350) 2.256 15.950 ( 7.094 -0.000 -11.308) 13.349 15.952 ( 0.067 -0.000 -0.570) 0.574 16.617 ( -2.035 0.000 1.046) 2.288 18.694 ( -4.737 0.000 4.032) 6.221 18.884 ( 0.037 -0.000 -1.868) 1.869 19.262 ( 0.662 -0.000 -0.986) 1.187 ======================= Grid point 23 (15/148) ======================= q-point: (-0.15 -0.02 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 26.055 15.622 3.093) 30.537 1.516 ( 16.728 23.282 -12.790) 31.392 2.729 ( 38.790 14.694 -22.746) 47.307 3.078 ( -1.208 -0.338 5.857) 5.990 3.495 ( 6.373 -6.734 -12.077) 15.225 3.609 ( -7.245 6.100 6.585) 11.535 3.703 ( -4.888 3.268 10.774) 12.274 3.911 ( -2.153 11.491 -3.954) 12.341 4.163 ( -6.164 1.989 -0.550) 6.501 4.385 ( 5.099 4.333 -1.696) 6.903 4.813 ( 5.788 2.512 -11.321) 12.961 5.827 ( 40.241 -5.648 3.323) 40.771 6.424 ( 5.326 -6.259 -8.962) 12.160 8.184 ( 10.803 0.938 0.774) 10.872 8.491 ( 30.029 1.196 0.689) 30.061 8.714 ( -5.549 0.469 -1.026) 5.663 9.446 ( -5.566 -4.349 2.673) 7.552 9.568 ( 5.419 -4.374 -6.013) 9.200 9.592 ( -5.872 -6.997 5.084) 10.454 9.848 ( -12.600 -6.580 4.408) 14.882 9.896 ( 2.844 5.530 -6.409) 8.930 10.372 ( -5.236 8.793 2.372) 10.505 10.513 ( -5.855 3.418 -0.295) 6.786 10.589 ( -9.006 5.390 -4.224) 11.314 10.853 ( 4.619 -1.365 0.480) 4.840 11.234 ( 0.733 7.488 -0.484) 7.539 11.754 ( -7.385 0.018 2.014) 7.655 11.911 ( -3.107 5.863 2.782) 7.195 12.795 ( 10.439 -3.216 0.670) 10.944 13.204 ( 6.654 4.969 0.036) 8.305 13.240 ( 3.083 2.559 -1.931) 4.447 13.456 ( -0.909 10.740 -2.282) 11.018 13.647 ( -1.508 4.529 -4.855) 6.809 13.713 ( 4.129 -3.581 2.154) 5.874 15.705 ( -1.765 -0.035 -0.543) 1.847 15.752 ( -0.816 -0.673 -0.157) 1.070 15.930 ( 0.990 -2.474 -1.170) 2.910 16.124 ( 12.655 -9.154 -5.680) 16.620 16.752 ( 4.178 15.163 -0.755) 15.746 18.575 ( -6.014 -0.719 5.081) 7.906 18.799 ( 0.235 -6.358 -4.100) 7.569 19.255 ( 0.575 -2.358 -0.817) 2.560 ======================= Grid point 24 (16/148) ======================= q-point: (-0.65 -0.02 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 5.281 -9.292 -13.807) 17.460 2.703 ( 8.930 6.359 -0.105) 10.963 2.966 ( 9.639 6.843 -4.893) 12.794 3.134 ( 4.233 8.543 -2.601) 9.883 3.520 ( -2.193 -2.423 -5.044) 6.010 3.917 ( -2.106 -6.499 -0.270) 6.837 4.225 ( -7.491 -6.951 -2.485) 10.517 4.304 ( -5.716 -5.022 9.793) 12.401 4.690 ( 2.671 -2.759 -12.183) 12.774 5.023 ( -11.261 -3.170 -5.947) 13.124 5.372 ( -3.275 -7.630 1.948) 8.529 5.753 ( 37.917 2.549 -3.326) 38.148 6.159 ( 3.887 22.087 4.324) 22.839 8.212 ( 7.972 -1.987 -1.923) 8.438 8.276 ( 11.205 2.871 1.237) 11.633 8.671 ( 16.652 0.110 1.818) 16.752 9.021 ( -11.550 -1.075 5.628) 12.894 9.182 ( -1.179 0.949 -0.421) 1.571 9.528 ( -0.091 -0.332 2.040) 2.068 9.831 ( -2.541 9.627 -3.095) 10.426 10.176 ( 2.858 1.058 -6.503) 7.182 10.392 ( -20.921 -1.102 6.497) 21.934 10.667 ( -5.623 -6.247 0.006) 8.405 10.778 ( -12.087 5.697 0.204) 13.364 11.414 ( 5.582 -0.160 -1.359) 5.748 11.735 ( -0.540 -10.713 -1.673) 10.856 11.839 ( 2.463 -3.786 3.203) 5.537 12.062 ( 4.100 -15.349 -13.198) 20.654 12.613 ( -1.604 5.044 5.558) 7.675 12.793 ( 1.004 14.051 -0.380) 14.092 13.434 ( 7.661 -3.410 4.381) 9.462 13.665 ( 5.875 3.025 -6.266) 9.107 13.715 ( 5.595 0.835 -8.107) 9.885 14.438 ( -7.728 -5.942 -2.557) 10.079 15.592 ( 0.250 0.306 0.660) 0.769 15.677 ( -1.012 -0.036 1.541) 1.844 15.821 ( 0.530 4.041 1.499) 4.342 16.063 ( -2.411 3.804 2.236) 5.028 17.635 ( 6.978 -9.482 -8.091) 14.286 18.280 ( 2.230 10.044 3.815) 10.973 18.781 ( -6.633 -9.516 0.741) 11.623 19.068 ( -1.380 5.843 3.081) 6.748 ======================= Grid point 25 (17/148) ======================= q-point: (-0.65 -0.02 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 3.925 -7.032 -13.254) 15.509 2.842 ( 0.559 -7.604 -2.928) 8.168 2.983 ( -7.924 -4.798 -2.692) 9.647 3.194 ( 1.056 -3.810 -0.951) 4.066 3.470 ( -0.002 -7.430 -4.872) 8.885 3.755 ( -3.088 -3.899 -0.427) 4.992 3.934 ( -2.461 -3.052 -0.371) 3.938 4.165 ( 0.684 -3.960 7.708) 8.693 4.595 ( -7.108 -4.675 -11.851) 14.589 4.863 ( 2.946 -0.406 -9.202) 9.670 5.095 ( -12.255 -3.862 2.827) 13.156 6.540 ( 11.878 12.267 6.460) 18.257 6.757 ( 36.207 7.174 -5.427) 37.307 8.192 ( -17.479 2.043 0.526) 17.606 8.522 ( 6.328 0.532 -2.578) 6.854 8.738 ( -3.011 5.348 6.614) 9.022 9.154 ( 19.279 3.192 3.546) 19.861 9.221 ( 4.606 -1.173 0.816) 4.823 9.532 ( 2.978 -2.824 -4.637) 6.193 9.814 ( -11.095 1.869 6.753) 13.122 10.073 ( -13.783 7.046 7.989) 17.419 10.229 ( -4.996 2.582 -12.294) 13.519 10.392 ( -6.591 -7.764 1.356) 10.274 10.710 ( -3.350 5.529 -9.030) 11.106 11.346 ( -2.035 -14.117 3.693) 14.733 11.597 ( 2.562 -3.990 3.829) 6.094 11.609 ( -3.803 -9.472 -2.861) 10.600 11.884 ( 2.466 -12.885 -7.728) 15.226 12.763 ( 2.740 8.988 5.675) 10.977 13.088 ( 2.410 9.857 -2.489) 10.449 13.471 ( 2.787 -3.806 2.327) 5.260 13.752 ( 1.807 -4.901 -5.610) 7.665 13.797 ( 3.370 0.216 -4.796) 5.865 14.101 ( -9.411 -8.224 -4.943) 13.440 15.618 ( 0.385 1.754 2.502) 3.080 15.677 ( 0.211 0.800 1.687) 1.879 15.976 ( 2.866 6.913 -0.264) 7.488 16.088 ( -3.241 4.925 3.349) 6.781 17.584 ( 6.555 -9.420 -9.097) 14.644 18.268 ( -8.972 -8.348 1.297) 12.324 18.676 ( 3.384 6.267 4.307) 8.323 19.178 ( 0.075 6.162 1.535) 6.350 ======================= Grid point 26 (18/148) ======================= q-point: (-0.15 -0.02 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 19.175 12.912 4.956) 23.643 2.266 ( 14.739 19.301 -8.157) 25.619 3.031 ( -1.732 -0.011 4.089) 4.440 3.318 ( 5.701 -7.597 -9.540) 13.462 3.566 ( -5.649 8.001 7.701) 12.460 3.755 ( 3.319 9.609 0.162) 10.168 3.838 ( 10.068 9.875 2.273) 14.285 4.096 ( -1.466 4.159 -5.776) 7.267 4.207 ( 4.499 16.010 -2.970) 16.894 4.575 ( 5.143 5.046 8.406) 11.071 4.989 ( 2.670 6.727 -9.668) 12.077 6.322 ( 4.341 -13.681 -8.531) 16.697 6.628 ( 46.595 -3.243 0.627) 46.712 8.373 ( -5.785 -2.161 -1.544) 6.366 8.390 ( -11.377 -1.893 3.229) 11.977 9.046 ( 18.145 -5.988 1.028) 19.135 9.243 ( -5.571 -8.292 2.375) 10.268 9.356 ( 0.295 -1.273 -1.268) 1.821 9.486 ( -5.123 -4.327 0.756) 6.749 9.681 ( 8.774 -0.154 1.452) 8.894 9.936 ( -13.600 -0.331 -3.066) 13.945 10.202 ( -3.204 3.362 -2.487) 5.268 10.343 ( -12.462 3.359 0.810) 12.932 10.812 ( 5.823 -3.826 3.439) 7.770 11.071 ( 2.533 22.240 -4.132) 22.762 11.429 ( 4.745 6.501 0.376) 8.057 11.672 ( -3.931 2.598 -1.194) 4.861 12.045 ( -0.522 11.726 4.112) 12.437 12.787 ( 0.645 -9.696 -1.288) 9.802 13.248 ( -1.089 -7.149 2.819) 7.761 13.448 ( 3.539 9.418 3.871) 10.780 13.672 ( 9.062 5.618 -0.944) 10.704 13.780 ( 7.953 -0.307 2.299) 8.284 13.815 ( -1.730 11.872 -5.327) 13.126 15.647 ( -2.877 -1.417 -1.016) 3.364 15.706 ( -1.946 -0.330 -0.727) 2.103 15.904 ( 1.923 -2.965 -1.058) 3.689 16.054 ( 1.998 -10.272 -1.901) 10.635 17.293 ( 13.709 16.795 -1.544) 21.735 18.428 ( -5.440 -2.701 2.903) 6.732 18.685 ( -2.131 -2.323 -2.714) 4.159 19.179 ( -0.704 -5.510 -0.588) 5.586 ======================= Grid point 27 (19/148) ======================= q-point: (-0.15 -0.02 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 5.746 9.079 3.238) 11.222 2.774 ( 10.273 3.832 -6.308) 12.650 2.987 ( -4.017 1.425 2.153) 4.775 3.220 ( 3.891 -9.971 -5.856) 12.201 3.688 ( -1.897 8.456 4.648) 9.834 3.846 ( -1.260 -0.188 0.791) 1.500 3.955 ( 1.365 8.647 2.235) 9.035 4.162 ( -5.614 1.510 -3.313) 6.691 4.744 ( 14.593 7.270 11.601) 20.010 4.882 ( 5.451 9.621 5.297) 12.261 5.163 ( -0.338 12.580 -5.962) 13.925 6.028 ( 0.718 -21.543 -8.660) 23.229 7.520 ( 41.586 0.735 -0.031) 41.593 7.634 ( -40.438 -3.839 1.171) 40.637 8.485 ( 5.084 0.564 0.469) 5.137 8.717 ( -11.075 -9.271 2.742) 14.701 9.273 ( -1.185 -0.789 -2.227) 2.644 9.351 ( 0.059 -3.510 -5.306) 6.362 9.464 ( 3.351 -1.049 -2.542) 4.335 9.565 ( -4.102 -3.877 -5.577) 7.935 9.983 ( -3.277 5.402 5.848) 8.609 10.099 ( 5.147 0.036 0.438) 5.166 10.420 ( 4.292 5.186 1.261) 6.849 10.707 ( -0.805 -8.696 5.802) 10.485 11.577 ( 0.385 12.009 0.660) 12.033 11.642 ( 3.683 2.685 -0.425) 4.577 11.705 ( 1.655 15.752 -5.573) 16.791 12.336 ( 1.543 15.893 5.089) 16.759 12.479 ( -4.367 -15.859 -3.350) 16.787 12.974 ( -3.149 -14.608 4.074) 15.489 13.658 ( -2.257 8.546 2.776) 9.264 13.870 ( 2.900 -0.896 3.238) 4.438 13.977 ( -3.082 7.400 -0.463) 8.030 14.025 ( 12.210 3.568 -0.240) 12.723 15.571 ( -1.533 -0.312 -1.622) 2.254 15.658 ( -0.793 -1.952 0.506) 2.167 15.876 ( -2.070 -4.972 -1.453) 5.578 15.897 ( 2.600 -3.354 -1.610) 4.539 17.822 ( 8.612 11.894 -0.128) 14.685 18.235 ( -3.977 -7.906 -1.534) 8.982 18.680 ( -1.398 6.790 0.134) 6.933 19.018 ( -1.045 -8.304 -0.541) 8.387 ======================= Grid point 28 (20/148) ======================= q-point: ( 0.35 -0.02 -0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -8.931 -4.819 -6.473) 12.037 2.299 ( -14.577 -18.525 4.228) 23.949 2.931 ( -1.176 2.774 -5.806) 6.541 3.106 ( 4.556 -8.217 -7.023) 11.730 3.257 ( 1.361 -10.421 -8.925) 13.788 3.679 ( 0.655 -0.473 0.269) 0.851 3.771 ( -0.109 -10.438 2.288) 10.686 4.229 ( -3.658 7.373 9.240) 12.374 4.453 ( -4.702 1.141 -8.049) 9.391 4.703 ( -20.937 -1.040 10.813) 23.587 4.951 ( 7.265 -3.048 -0.381) 7.888 6.801 ( -2.279 7.890 9.275) 12.389 7.556 ( -31.273 1.740 -0.863) 31.333 7.692 ( 30.886 1.648 -4.202) 31.214 8.598 ( -5.062 2.921 0.658) 5.881 8.988 ( 11.095 8.563 -3.622) 14.476 9.300 ( 6.658 -2.381 -1.817) 7.301 9.382 ( -2.889 -2.707 -1.524) 4.242 9.648 ( 21.145 -2.114 1.212) 21.285 9.736 ( -25.760 0.085 -1.848) 25.827 9.812 ( 2.892 3.415 1.033) 4.593 10.145 ( -1.906 -4.778 -3.414) 6.173 10.211 ( -4.290 3.760 10.449) 11.905 10.839 ( -0.240 5.919 -9.332) 11.054 10.971 ( -5.673 -11.952 9.648) 16.374 11.354 ( -4.088 -6.745 -1.936) 8.121 11.621 ( 3.053 -1.636 2.332) 4.175 11.674 ( 2.020 -10.057 -6.262) 12.019 12.985 ( 1.945 6.243 3.637) 7.482 13.217 ( 0.601 -0.083 -3.799) 3.847 13.432 ( -1.749 0.102 4.900) 5.204 13.629 ( -2.400 -5.963 -2.341) 6.841 13.798 ( -1.834 -1.891 1.440) 3.002 13.829 ( -5.868 -1.974 -7.712) 9.890 15.665 ( 1.186 1.024 2.213) 2.712 15.710 ( 1.175 0.956 1.741) 2.307 16.059 ( -2.796 2.448 4.460) 5.806 16.233 ( 3.597 7.659 -1.630) 8.617 17.383 ( -13.215 -8.090 1.614) 15.579 18.041 ( 7.258 -6.768 -8.784) 13.254 18.870 ( 2.002 5.773 5.145) 7.988 19.284 ( 0.117 3.714 0.839) 3.809 ======================= Grid point 29 (21/148) ======================= q-point: ( 0.35 -0.02 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -19.591 0.000 2.131) 19.707 1.802 ( -14.166 0.000 15.622) 21.089 2.943 ( 1.260 -0.000 -4.066) 4.257 3.203 ( 7.836 -0.000 -10.006) 12.709 3.228 ( 10.307 -0.000 -7.342) 12.655 3.618 ( -12.390 0.000 5.371) 13.504 3.676 ( 1.997 0.000 2.765) 3.411 4.197 ( -7.652 0.000 12.433) 14.599 4.205 ( -14.675 0.000 6.937) 16.232 4.446 ( -3.373 0.000 2.417) 4.150 5.030 ( 2.857 0.000 8.237) 8.718 6.697 ( -46.263 0.000 -2.106) 46.311 6.798 ( -5.153 0.000 10.877) 12.036 8.379 ( 25.884 -0.000 -3.989) 26.189 8.422 ( -12.950 0.000 1.084) 12.996 9.086 ( -31.644 0.000 -4.376) 31.945 9.342 ( 8.336 -0.000 -4.922) 9.681 9.361 ( 3.382 -0.000 -3.781) 5.073 9.493 ( 15.183 -0.000 -5.165) 16.037 9.935 ( 4.601 0.000 2.889) 5.433 9.947 ( 2.492 0.000 5.885) 6.391 10.131 ( 9.216 -0.000 0.185) 9.218 10.224 ( 2.672 0.000 6.081) 6.642 10.687 ( -4.387 0.000 13.750) 14.433 10.885 ( -3.787 -0.000 -8.150) 8.987 11.216 ( -1.921 0.000 1.890) 2.694 11.659 ( 2.682 0.000 1.250) 2.959 11.661 ( 5.796 -0.000 -6.805) 8.939 13.003 ( -6.435 0.000 0.663) 6.469 13.204 ( -0.249 -0.000 -1.306) 1.329 13.413 ( -1.240 0.000 8.589) 8.678 13.462 ( -5.292 0.000 1.709) 5.561 13.721 ( -2.965 0.000 3.368) 4.488 13.738 ( -3.419 -0.000 -6.329) 7.193 15.699 ( 1.256 0.000 1.325) 1.826 15.746 ( 1.025 0.000 0.581) 1.178 16.031 ( -2.396 0.000 3.972) 4.639 16.421 ( 5.130 -0.000 -3.538) 6.232 16.883 ( -22.374 0.000 9.601) 24.347 18.206 ( 12.641 -0.000 -9.626) 15.889 18.951 ( -0.145 0.000 2.884) 2.887 19.314 ( -0.669 0.000 0.768) 1.018 ======================= Grid point 30 (22/148) ======================= q-point: (-0.15 -0.02 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -7.116 -4.662 -0.284) 8.513 2.724 ( -5.438 -12.037 -2.444) 13.433 2.932 ( -5.509 4.901 0.240) 7.377 3.157 ( 3.781 -4.290 -2.368) 6.189 3.701 ( -3.375 2.330 5.764) 7.075 3.921 ( 2.872 0.292 -1.038) 3.068 4.055 ( 2.147 -1.886 -2.379) 3.719 4.258 ( 8.415 6.542 1.009) 10.706 4.793 ( -4.859 -14.288 9.884) 18.040 4.981 ( 4.430 -4.342 9.180) 11.079 5.507 ( -4.216 -11.691 -8.225) 14.903 5.598 ( 1.145 9.791 -9.498) 13.688 6.643 ( -46.752 -4.165 0.927) 46.947 8.255 ( 21.678 3.284 0.006) 21.926 8.403 ( -5.967 -2.955 2.062) 6.971 8.687 ( 6.236 7.575 0.015) 9.812 9.073 ( -16.155 1.400 -2.949) 16.481 9.277 ( -3.405 1.975 -0.852) 4.028 9.411 ( 1.820 -1.581 -4.797) 5.369 9.759 ( 0.501 -2.657 3.139) 4.143 9.859 ( 12.574 2.243 -4.438) 13.521 10.391 ( 7.601 -0.754 7.727) 10.865 10.456 ( 1.087 -4.512 -1.724) 4.951 10.618 ( 2.627 1.166 -0.077) 2.875 11.546 ( -6.131 -0.225 0.330) 6.144 11.740 ( 3.583 -1.345 0.347) 3.843 11.996 ( -4.975 -12.303 -1.171) 13.322 12.248 ( 5.736 11.922 -5.672) 14.395 12.566 ( -5.364 -9.599 6.561) 12.804 12.731 ( 3.092 11.540 2.964) 12.309 13.662 ( -10.036 4.939 0.031) 11.185 13.784 ( -4.106 -6.096 4.681) 8.714 13.912 ( -6.762 -3.582 3.148) 8.275 14.260 ( 10.447 -4.636 -2.094) 11.620 15.604 ( 0.928 3.509 -0.029) 3.630 15.623 ( 2.010 -1.428 -0.731) 2.571 15.787 ( -2.869 1.291 -0.741) 3.233 15.904 ( 2.368 -1.799 -2.482) 3.874 17.878 ( -8.764 -10.227 -0.207) 13.470 18.152 ( 3.179 5.966 -1.770) 6.988 18.837 ( 1.083 -2.415 0.457) 2.686 18.897 ( 3.178 4.543 -0.986) 5.632 ======================= Grid point 31 (23/148) ======================= q-point: (-0.15 -0.02 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -13.760 -22.202 2.985) 26.291 2.218 ( -17.564 -13.098 -6.280) 22.792 2.969 ( -4.802 7.864 -0.871) 9.256 3.166 ( 1.853 -0.594 2.029) 2.811 3.676 ( -1.842 -3.648 5.873) 7.155 3.890 ( 0.736 -4.588 -6.301) 7.829 4.015 ( -3.487 -20.739 1.422) 21.078 4.300 ( 5.094 -11.986 -6.043) 14.358 4.469 ( 2.341 -0.523 5.823) 6.298 4.751 ( 0.844 -19.594 4.198) 20.056 5.099 ( -5.421 -12.527 -11.922) 18.123 5.693 ( -38.548 -1.034 0.707) 38.569 5.952 ( -3.296 17.131 -8.259) 19.302 8.205 ( -7.585 -0.105 0.490) 7.602 8.484 ( -21.518 2.659 2.077) 21.781 8.742 ( 9.295 0.055 -0.921) 9.341 9.116 ( 2.033 9.771 4.938) 11.135 9.295 ( -1.297 6.039 0.976) 6.253 9.473 ( 1.046 3.500 -4.711) 5.962 9.661 ( 2.889 -2.738 3.930) 5.594 10.173 ( 1.613 -6.841 -3.178) 7.714 10.379 ( 15.368 1.867 -3.283) 15.826 10.600 ( 0.500 3.808 -0.845) 3.933 10.687 ( 7.802 -2.570 -1.408) 8.334 11.369 ( -8.178 -6.139 -0.612) 10.244 11.516 ( -0.014 -19.540 0.554) 19.548 11.816 ( 4.421 -3.274 0.373) 5.514 12.242 ( -2.493 -9.567 4.762) 10.974 12.542 ( -3.839 9.710 -1.614) 10.565 13.071 ( 2.114 13.615 3.452) 14.204 13.512 ( -10.775 1.986 -0.337) 10.962 13.518 ( -7.054 -7.049 2.019) 10.174 13.656 ( -5.396 -6.393 3.797) 9.187 14.262 ( 9.640 -14.140 -3.450) 17.458 15.681 ( 1.729 1.568 -0.388) 2.366 15.682 ( -0.120 2.853 1.654) 3.300 15.791 ( -2.319 3.738 -1.171) 4.552 15.910 ( -0.213 0.088 -4.849) 4.854 17.425 ( -7.337 -16.939 -1.020) 18.488 18.330 ( 0.097 8.428 -0.881) 8.474 18.789 ( 3.414 -3.985 -0.754) 5.301 19.098 ( 2.475 5.848 -0.539) 6.373 ======================= Grid point 32 (24/148) ======================= q-point: ( 0.35 -0.02 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -18.348 7.478 11.246) 22.782 1.843 ( -11.410 20.943 20.077) 31.175 3.017 ( 4.643 -0.346 -0.468) 4.679 3.180 ( -25.055 8.835 20.664) 33.657 3.486 ( 5.755 3.849 -8.976) 11.336 3.495 ( 8.312 10.094 -2.786) 13.370 3.721 ( -3.623 -4.829 8.559) 10.474 3.987 ( -1.759 5.766 3.719) 7.083 4.174 ( 0.741 2.896 1.604) 3.392 4.445 ( 0.613 2.712 6.067) 6.673 5.046 ( -4.199 3.045 11.756) 12.849 5.773 ( -40.195 -3.293 -1.838) 40.371 6.619 ( -5.294 -6.963 10.533) 13.691 8.168 ( -12.331 1.189 -0.755) 12.412 8.465 ( -27.847 0.435 -2.144) 27.933 8.743 ( 10.992 0.913 1.651) 11.153 9.381 ( 2.531 -6.557 -3.982) 8.078 9.438 ( 1.942 -3.472 -8.631) 9.504 9.718 ( 11.392 -4.991 -6.643) 14.101 9.780 ( -2.765 -8.587 12.005) 15.017 10.045 ( 1.905 6.340 8.470) 10.750 10.357 ( 6.910 6.106 0.245) 9.224 10.467 ( 8.065 4.934 -2.815) 9.865 10.728 ( 2.007 1.499 6.440) 6.910 10.853 ( 1.249 5.408 3.133) 6.373 11.266 ( -0.384 5.353 3.029) 6.163 11.701 ( 2.140 -0.620 -3.852) 4.450 11.834 ( 4.078 5.775 -5.093) 8.713 12.786 ( -11.240 -2.817 -0.021) 11.588 13.208 ( -1.431 2.192 0.151) 2.622 13.323 ( -2.894 -0.460 6.542) 7.168 13.505 ( -2.857 3.640 3.278) 5.671 13.637 ( -3.116 -2.442 -4.413) 5.929 13.770 ( 3.059 9.573 6.707) 12.082 15.720 ( 0.836 -0.747 -0.152) 1.132 15.733 ( -1.488 -0.744 -1.227) 2.067 15.960 ( -1.642 -2.957 1.950) 3.904 16.251 ( -5.325 -10.466 6.515) 13.429 16.788 ( -7.211 16.176 3.923) 18.140 18.484 ( 10.291 3.842 -4.631) 11.921 18.844 ( -2.893 -7.675 0.457) 8.215 19.273 ( -0.375 -2.402 0.893) 2.590 ======================= Grid point 33 (25/148) ======================= q-point: ( 0.35 -0.02 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -7.079 19.719 11.533) 23.915 1.810 ( -20.535 10.833 19.275) 30.176 3.030 ( 0.630 -6.910 -1.789) 7.166 3.229 ( -4.837 1.704 11.154) 12.277 3.297 ( -8.155 14.999 11.248) 20.445 3.702 ( 2.848 4.568 -2.970) 6.148 3.912 ( 5.179 10.282 1.700) 11.637 4.239 ( -1.935 3.010 -3.507) 5.011 4.310 ( 1.039 20.604 -2.643) 20.799 4.604 ( 7.116 7.478 15.143) 18.327 4.947 ( -14.418 3.700 6.445) 16.220 5.177 ( -11.838 2.224 8.464) 14.721 6.343 ( -2.896 -11.946 8.449) 14.915 7.975 ( -13.597 3.611 -1.808) 14.184 8.048 ( -10.840 0.204 -1.063) 10.894 8.938 ( 6.724 0.549 3.213) 7.473 9.171 ( -2.379 -12.449 -7.449) 14.702 9.347 ( -0.375 -5.715 -5.149) 7.701 9.570 ( -2.891 -4.115 8.095) 9.531 9.786 ( 4.399 -5.508 -2.788) 7.580 10.261 ( 5.056 2.164 4.000) 6.800 10.480 ( -1.354 2.534 4.330) 5.196 10.652 ( -0.497 12.877 0.521) 12.897 10.939 ( 12.073 1.190 4.902) 13.084 11.040 ( -2.199 10.734 8.292) 13.741 11.337 ( -0.031 4.202 1.382) 4.423 11.762 ( 3.392 1.399 -8.009) 8.809 12.022 ( 3.067 5.282 -6.440) 8.876 12.494 ( -11.755 -2.096 1.562) 12.042 13.202 ( -0.951 0.479 2.521) 2.736 13.316 ( -1.389 2.383 3.589) 4.526 13.399 ( -2.897 -6.988 -2.917) 8.108 13.517 ( -3.004 -1.576 -2.155) 4.019 14.201 ( 6.805 16.023 3.392) 17.735 15.627 ( -4.001 -0.985 -2.093) 4.621 15.741 ( 1.077 -0.882 0.402) 1.449 15.863 ( -1.133 -3.255 2.573) 4.302 16.058 ( -0.597 -3.137 7.602) 8.245 17.019 ( -2.666 16.305 2.113) 16.657 18.522 ( -2.158 -11.599 0.807) 11.826 18.796 ( 4.832 5.332 -0.923) 7.254 19.228 ( 0.909 -2.667 0.621) 2.886 ======================= Grid point 34 (26/148) ======================= q-point: (-0.15 -0.02 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -18.565 -23.990 -0.518) 30.339 1.515 ( -18.758 -20.167 -9.127) 29.015 2.820 ( -11.712 -43.082 -21.625) 49.607 3.056 ( -1.160 6.675 -0.025) 6.775 3.268 ( -1.663 0.502 2.428) 2.985 3.834 ( 1.999 -2.661 7.019) 7.768 3.877 ( 7.439 -3.333 -1.975) 8.387 4.308 ( 3.045 -6.379 0.340) 7.076 4.355 ( 2.914 -21.897 1.875) 22.169 4.402 ( -2.914 -4.047 -1.981) 5.366 4.756 ( -7.737 -7.530 -12.710) 16.676 5.078 ( -22.312 1.415 -2.261) 22.471 6.173 ( -2.553 10.701 -8.353) 13.813 8.010 ( -15.281 -3.050 1.754) 15.681 8.059 ( -9.107 -1.165 0.149) 9.182 8.836 ( 2.539 -5.581 -5.068) 7.955 9.336 ( 0.493 12.623 7.440) 14.660 9.427 ( -1.076 6.054 2.957) 6.823 9.491 ( -1.858 2.221 -0.993) 3.061 9.807 ( 1.588 5.940 1.071) 6.241 10.094 ( 6.194 -4.522 -11.039) 13.442 10.465 ( -6.699 2.489 1.203) 7.247 10.659 ( 4.170 -9.063 0.826) 10.011 10.875 ( 7.715 -5.470 -2.100) 9.687 10.911 ( -1.705 -11.766 -5.025) 12.907 11.337 ( 0.256 -4.247 0.755) 4.321 11.906 ( 7.241 -0.526 7.052) 10.121 12.092 ( 2.969 -5.386 0.593) 6.178 12.489 ( -12.501 3.644 0.768) 13.044 13.175 ( -4.427 -5.685 0.159) 7.207 13.275 ( -2.047 -3.522 -1.151) 4.233 13.469 ( -1.685 8.438 3.458) 9.273 13.554 ( -1.355 1.711 2.095) 3.025 14.158 ( 11.991 -17.371 -1.045) 21.134 15.670 ( -4.997 1.565 2.393) 5.758 15.733 ( 0.825 0.381 0.275) 0.950 15.807 ( -3.063 3.452 -3.045) 5.529 15.911 ( -0.281 0.972 -7.840) 7.905 16.996 ( -2.026 -15.917 -0.634) 16.058 18.482 ( -1.492 8.460 -3.058) 9.118 18.801 ( 2.980 -2.028 -0.166) 3.609 19.210 ( 0.829 2.535 -0.937) 2.827 ======================= Grid point 35 (27/148) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -0.000 -12.032 -21.455) 24.598 1.492 ( -0.000 -17.812 -16.916) 24.565 3.037 ( 0.000 13.118 0.016) 13.118 3.179 ( -0.000 -4.931 -10.815) 11.886 3.210 ( -0.000 -21.415 -12.937) 25.019 3.733 ( 0.000 -2.460 3.248) 4.075 3.970 ( -0.000 -8.016 0.044) 8.016 4.181 ( 0.000 -1.958 4.833) 5.214 4.325 ( -0.000 -22.091 3.249) 22.328 4.721 ( -0.000 -10.304 -17.796) 20.564 4.795 ( -0.000 -3.012 -4.316) 5.263 5.047 ( -0.000 -4.315 -13.612) 14.279 6.313 ( -0.000 11.342 -7.943) 13.847 7.807 ( 0.000 -3.512 0.973) 3.645 7.959 ( 0.000 -1.125 1.837) 2.154 9.009 ( -0.000 -5.828 -9.158) 10.855 9.144 ( 0.000 19.116 13.473) 23.387 9.343 ( 0.000 5.709 4.194) 7.084 9.535 ( -0.000 3.144 -7.688) 8.306 9.825 ( 0.000 5.532 1.294) 5.681 10.323 ( 0.000 4.109 3.175) 5.193 10.456 ( -0.000 -8.976 -15.582) 17.983 10.634 ( -0.000 -15.409 2.430) 15.600 11.009 ( -0.000 -7.807 -8.381) 11.454 11.075 ( -0.000 -1.214 -6.847) 6.954 11.344 ( -0.000 -5.249 -1.232) 5.392 11.811 ( 0.000 0.129 10.801) 10.802 12.081 ( 0.000 -4.238 9.244) 10.169 12.328 ( -0.000 0.397 -4.876) 4.892 13.185 ( -0.000 -4.548 -5.689) 7.284 13.302 ( -0.000 -1.000 -4.463) 4.574 13.378 ( 0.000 11.954 5.022) 12.966 13.486 ( 0.000 0.509 3.348) 3.386 14.277 ( -0.000 -14.835 -1.075) 14.874 15.579 ( 0.000 -0.268 1.317) 1.344 15.752 ( -0.000 1.396 -0.487) 1.478 15.851 ( -0.000 2.618 -3.606) 4.456 16.054 ( -0.000 1.980 -7.280) 7.544 16.995 ( -0.000 -15.573 -1.642) 15.659 18.496 ( 0.000 11.821 -0.492) 11.831 18.849 ( -0.000 -5.185 0.280) 5.193 19.239 ( 0.000 2.040 -0.544) 2.111 ======================= Grid point 36 (28/148) ======================= q-point: ( 0.21 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.000 19.957 15.876) 25.502 1.336 ( 0.000 31.082 -0.117) 31.082 2.706 ( 0.000 48.804 23.916) 54.349 3.039 ( -0.000 -9.085 -0.215) 9.088 3.259 ( -0.000 0.568 -6.080) 6.106 3.852 ( -0.000 2.307 -5.408) 5.879 3.974 ( 0.000 0.906 0.207) 0.929 4.300 ( -0.000 1.125 -7.315) 7.401 4.365 ( 0.000 16.807 2.851) 17.047 4.415 ( 0.000 15.647 8.836) 17.970 4.673 ( 0.000 7.067 8.523) 11.072 4.848 ( 0.000 2.374 6.622) 7.035 6.147 ( 0.000 -10.007 8.420) 13.078 7.825 ( 0.000 3.242 -0.801) 3.340 7.988 ( -0.000 2.159 -1.092) 2.419 8.857 ( 0.000 7.910 6.061) 9.965 9.340 ( -0.000 -13.994 -6.618) 15.480 9.413 ( -0.000 -7.554 -2.701) 8.022 9.464 ( 0.000 0.755 0.725) 1.046 9.817 ( -0.000 -4.422 -0.009) 4.422 10.185 ( 0.000 2.528 12.741) 12.989 10.374 ( -0.000 -2.892 -2.047) 3.543 10.683 ( 0.000 14.152 -2.885) 14.443 10.862 ( 0.000 11.176 6.936) 13.154 10.996 ( 0.000 2.637 1.899) 3.250 11.343 ( 0.000 4.314 -0.631) 4.360 11.988 ( -0.000 3.030 -7.335) 7.937 12.224 ( -0.000 -1.346 -5.447) 5.611 12.250 ( 0.000 -0.663 3.182) 3.250 13.125 ( 0.000 7.554 1.015) 7.621 13.256 ( 0.000 2.975 0.771) 3.074 13.451 ( -0.000 -11.722 -2.666) 12.021 13.546 ( -0.000 -0.875 -3.021) 3.145 14.305 ( -0.000 12.850 -4.111) 13.492 15.606 ( -0.000 0.191 -1.443) 1.455 15.734 ( 0.000 -1.697 1.216) 2.088 15.779 ( 0.000 -1.326 2.893) 3.183 15.913 ( 0.000 -0.453 7.972) 7.985 16.978 ( 0.000 15.073 0.399) 15.078 18.463 ( 0.000 -7.430 2.799) 7.940 18.834 ( 0.000 1.936 1.508) 2.454 19.220 ( 0.000 -2.049 1.045) 2.301 ======================= Grid point 37 (29/148) ======================= q-point: ( 0.21 -0.04 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 20.509 19.300 7.178) 29.062 2.004 ( 6.549 26.926 -4.644) 28.097 2.887 ( 3.069 -8.845 -1.931) 9.560 3.188 ( -0.472 0.922 -7.378) 7.451 3.622 ( 2.576 18.631 0.903) 18.830 3.930 ( -2.187 1.858 6.350) 6.968 3.973 ( -0.155 18.365 -1.936) 18.467 4.386 ( 2.312 2.954 -5.532) 6.684 4.482 ( -3.146 6.283 11.442) 13.427 4.814 ( -4.292 19.366 -3.459) 20.135 4.921 ( 10.861 7.369 6.055) 14.454 5.134 ( 15.625 9.874 6.312) 19.532 5.911 ( 1.173 -15.623 8.076) 17.626 8.058 ( 16.286 1.367 -0.837) 16.365 8.076 ( 5.546 0.569 -1.441) 5.758 8.915 ( -7.138 -2.245 -2.742) 7.970 9.112 ( 2.290 -4.819 -5.656) 7.775 9.268 ( 1.241 -8.542 -1.278) 8.726 9.471 ( 0.508 -2.618 5.178) 5.825 9.730 ( -2.407 0.588 -4.939) 5.526 10.195 ( -2.776 3.991 8.338) 9.652 10.417 ( 6.518 -0.646 2.860) 7.147 10.757 ( -7.648 2.412 3.735) 8.846 10.902 ( -12.719 0.652 1.055) 12.780 11.216 ( 6.290 8.904 0.760) 10.929 11.534 ( -1.429 18.673 -1.881) 18.822 11.918 ( -5.821 0.837 -3.776) 6.989 12.200 ( 1.400 5.274 -3.753) 6.623 12.401 ( 9.507 -5.012 1.787) 10.894 13.119 ( -2.919 -12.409 -2.592) 13.009 13.325 ( 7.606 -4.177 0.465) 8.690 13.387 ( 5.198 7.243 0.412) 8.924 13.588 ( 1.749 4.916 -5.393) 7.504 14.440 ( -7.323 11.484 0.596) 13.633 15.639 ( 2.518 -1.518 -1.918) 3.510 15.714 ( 0.295 -1.666 -0.086) 1.695 15.754 ( 0.466 -1.959 2.926) 3.551 15.914 ( -0.444 1.264 6.295) 6.436 17.323 ( 2.997 16.763 0.424) 17.034 18.325 ( 0.302 -7.617 -1.718) 7.814 18.850 ( -2.392 2.811 3.451) 5.053 19.143 ( -1.841 -4.412 0.835) 4.853 ======================= Grid point 38 (30/148) ======================= q-point: (-0.29 -0.04 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 4.822 -5.652 -24.554) 25.653 1.584 ( 14.973 -13.128 -24.316) 31.429 2.670 ( 20.135 -24.496 -35.378) 47.509 3.149 ( -7.199 4.142 -2.721) 8.740 3.483 ( 5.856 5.196 -0.394) 7.839 3.669 ( -2.921 0.155 -0.031) 2.926 3.714 ( -7.017 -6.211 1.786) 9.540 3.982 ( -0.586 -10.535 -0.460) 10.561 4.176 ( 2.346 -3.944 4.533) 6.451 4.488 ( -3.757 -4.454 -11.763) 13.127 4.868 ( 12.116 -3.315 -9.767) 15.912 5.179 ( 17.440 1.372 -5.535) 18.349 6.527 ( 3.516 6.636 -9.897) 12.424 7.908 ( 13.999 -2.824 2.034) 14.425 8.041 ( 11.546 -0.383 0.314) 11.556 8.888 ( -3.757 -2.400 -8.557) 9.648 9.406 ( -0.777 7.012 7.446) 10.257 9.469 ( -1.296 7.535 9.484) 12.182 9.696 ( 3.238 8.971 -13.027) 16.145 9.898 ( -3.940 5.211 5.166) 8.328 10.121 ( -5.837 -9.637 -7.967) 13.799 10.361 ( 4.600 -14.181 -4.222) 15.495 10.498 ( 1.428 2.539 2.983) 4.170 10.852 ( -4.039 -5.397 -9.092) 11.318 10.988 ( -11.103 3.057 -3.544) 12.049 11.271 ( -0.740 -3.744 -2.494) 4.559 11.756 ( -3.719 0.307 8.249) 9.054 11.907 ( -3.252 -5.553 5.687) 8.588 12.527 ( 13.759 1.217 -1.291) 13.873 13.146 ( 3.923 -3.198 -6.060) 7.895 13.297 ( -0.222 0.909 -6.134) 6.205 13.480 ( -0.113 -1.016 1.118) 1.515 13.583 ( 2.139 4.601 4.474) 6.765 13.874 ( -6.359 -14.876 -6.070) 17.279 15.642 ( 5.506 0.551 2.626) 6.125 15.755 ( -1.583 0.578 -0.588) 1.784 15.932 ( 1.245 3.263 -1.879) 3.966 16.141 ( 4.054 5.030 -11.783) 13.438 16.726 ( 0.620 -12.687 -0.458) 12.710 18.653 ( -5.910 -1.646 2.083) 6.479 18.784 ( 2.360 6.962 1.187) 7.446 19.268 ( 0.049 1.483 -0.919) 1.745 ======================= Grid point 39 (31/148) ======================= q-point: (-0.29 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 16.201 -0.000 -15.798) 22.629 1.538 ( 11.623 -0.000 -23.336) 26.070 3.022 ( -6.471 0.000 -0.731) 6.512 3.100 ( 33.838 -0.000 -26.137) 42.757 3.358 ( -7.035 0.000 8.478) 11.017 3.460 ( -11.777 0.000 8.196) 14.348 3.723 ( -2.260 -0.000 -4.724) 5.237 4.024 ( 9.061 -0.000 -12.193) 15.191 4.118 ( -1.445 0.000 2.304) 2.720 4.412 ( 0.204 -0.000 -5.634) 5.638 5.015 ( 4.676 -0.000 -12.407) 13.259 5.810 ( 40.134 -0.000 2.981) 40.244 6.688 ( 5.458 -0.000 -11.031) 12.307 8.154 ( 13.379 -0.000 0.838) 13.405 8.460 ( 28.665 -0.000 1.368) 28.698 8.733 ( -10.822 -0.000 -1.571) 10.936 9.445 ( -4.713 0.000 2.538) 5.353 9.477 ( -3.324 0.000 11.416) 11.890 9.777 ( -12.245 0.000 8.801) 15.079 9.921 ( 2.909 -0.000 -18.849) 19.072 9.948 ( 0.503 -0.000 -5.778) 5.800 10.253 ( -0.120 -0.000 -3.082) 3.085 10.426 ( -12.791 0.000 5.198) 13.807 10.687 ( -4.486 -0.000 -10.985) 11.866 10.838 ( -1.685 0.000 3.612) 3.985 11.197 ( 0.190 -0.000 -4.872) 4.876 11.716 ( -2.689 0.000 3.168) 4.155 11.770 ( -4.804 0.000 5.361) 7.199 12.814 ( 11.997 -0.000 0.201) 11.999 13.185 ( 2.059 -0.000 -1.731) 2.690 13.368 ( 3.206 -0.000 -4.475) 5.505 13.391 ( 0.815 -0.000 -10.368) 10.400 13.677 ( 2.630 0.000 4.806) 5.478 13.686 ( 0.018 -0.000 -4.014) 4.014 15.726 ( -1.388 -0.000 -0.617) 1.519 15.740 ( 2.082 0.000 1.802) 2.753 15.991 ( 1.556 -0.000 -2.272) 2.754 16.468 ( 17.726 -0.000 -14.308) 22.780 16.515 ( -4.071 0.000 3.465) 5.346 18.442 ( -10.596 0.000 6.228) 12.291 18.927 ( 2.150 -0.000 -0.034) 2.151 19.298 ( 0.865 -0.000 -0.929) 1.270 ======================= Grid point 40 (32/148) ======================= q-point: ( 0.21 -0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 13.778 12.378 3.773) 18.902 2.594 ( 6.010 17.931 -5.018) 19.566 2.824 ( 5.320 -4.695 -2.840) 7.642 3.198 ( -0.551 2.120 -4.342) 4.863 3.682 ( -1.191 -1.458 -6.719) 6.977 3.935 ( -0.048 0.243 6.439) 6.444 4.167 ( -6.849 0.424 1.168) 6.960 4.417 ( -6.212 -4.999 -1.762) 8.166 4.709 ( 2.745 18.268 -3.455) 18.793 5.067 ( -4.038 11.694 -5.506) 13.542 5.363 ( 12.108 10.212 6.654) 17.180 5.611 ( 0.711 -10.973 10.666) 15.319 5.803 ( 31.932 9.449 -0.827) 33.311 8.210 ( 7.940 0.485 0.003) 7.954 8.402 ( 13.532 -5.165 -4.857) 15.277 8.708 ( 1.457 -3.163 -1.290) 3.714 8.973 ( -8.728 -5.047 3.377) 10.632 9.211 ( 3.160 -1.939 -2.183) 4.302 9.428 ( 0.407 -0.542 7.145) 7.177 9.753 ( -3.097 5.567 -4.294) 7.683 10.272 ( -7.109 3.104 -4.680) 9.060 10.346 ( -10.780 -1.911 3.504) 11.495 10.585 ( -2.257 3.724 4.945) 6.589 10.710 ( -7.702 -0.556 1.628) 7.892 11.417 ( 6.451 1.292 -0.442) 6.594 11.795 ( -1.953 3.238 -2.187) 4.368 11.943 ( 0.113 8.052 -2.206) 8.349 12.334 ( -2.494 -6.604 6.813) 9.811 12.445 ( 6.749 7.904 -8.074) 13.161 12.786 ( -2.553 -12.366 -1.658) 12.735 13.436 ( 11.718 -4.391 2.626) 12.787 13.666 ( 6.899 6.650 -3.281) 10.128 13.790 ( 5.171 6.193 -6.540) 10.386 14.459 ( -8.944 5.549 0.921) 10.566 15.620 ( -0.258 -2.615 -0.953) 2.795 15.666 ( -1.792 -0.440 0.628) 1.949 15.740 ( 1.526 -0.751 1.908) 2.556 15.939 ( -1.206 2.452 3.933) 4.789 17.719 ( 6.663 11.820 -1.071) 13.610 18.184 ( -0.540 -5.495 -0.351) 5.533 18.876 ( -2.221 4.013 2.365) 5.160 18.966 ( -3.650 -6.906 0.799) 7.852 ======================= Grid point 41 (33/148) ======================= q-point: ( 0.21 -0.04 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -0.391 -4.092 -7.793) 8.811 2.851 ( 4.606 4.354 -0.445) 6.354 2.973 ( -3.492 3.083 3.443) 5.792 3.259 ( 0.122 5.543 0.903) 5.617 3.634 ( 1.950 -3.949 -4.274) 6.137 3.871 ( -2.562 -3.903 -2.231) 5.175 4.030 ( -4.523 -6.633 2.767) 8.492 4.112 ( -2.740 -5.784 2.706) 6.949 4.958 ( -6.818 -8.556 -8.944) 14.131 4.974 ( -1.033 5.039 -9.701) 10.980 5.202 ( -6.176 -11.708 5.332) 14.271 6.013 ( 2.788 22.898 8.955) 24.744 6.741 ( 44.622 5.380 -2.884) 45.038 8.204 ( -20.635 -1.418 -1.678) 20.752 8.484 ( 11.390 5.056 -0.538) 12.473 8.598 ( -8.244 -1.724 2.933) 8.918 9.058 ( 19.596 -0.064 3.209) 19.858 9.255 ( 2.861 -0.071 -2.271) 3.654 9.473 ( -0.115 4.365 6.459) 7.796 9.797 ( -0.045 -3.103 -1.359) 3.387 9.825 ( -16.684 3.046 5.289) 17.766 10.392 ( -10.247 0.223 -6.917) 12.365 10.477 ( -3.315 -2.092 -0.859) 4.013 10.697 ( -0.571 8.054 -2.718) 8.519 11.532 ( 4.045 -2.258 -0.878) 4.715 11.700 ( -2.984 -8.501 0.207) 9.012 11.785 ( -4.222 -16.098 2.691) 16.859 12.318 ( 3.146 -7.610 -5.412) 9.854 12.442 ( -1.253 5.349 4.393) 7.034 12.901 ( 4.098 14.146 -2.831) 14.997 13.549 ( 8.190 -6.264 0.802) 10.342 13.861 ( 3.397 1.205 -3.048) 4.720 13.933 ( 1.938 -0.908 -5.866) 6.244 14.269 ( -11.754 -2.857 -0.385) 12.102 15.564 ( -0.764 -0.507 1.253) 1.553 15.651 ( 0.093 0.393 0.058) 0.408 15.826 ( 2.408 5.883 1.137) 6.458 15.951 ( -2.470 2.619 3.113) 4.759 17.895 ( 1.751 -6.528 -6.287) 9.230 18.189 ( 0.386 7.371 5.816) 9.397 18.686 ( -2.519 -9.131 -0.495) 9.485 19.006 ( 0.300 7.465 1.822) 7.690 ======================= Grid point 42 (34/148) ======================= q-point: (-0.29 -0.04 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 20.986 7.388 -0.560) 22.255 2.061 ( 10.644 20.559 -14.518) 27.326 2.944 ( -2.190 0.282 3.641) 4.258 3.256 ( -9.745 6.349 8.402) 14.348 3.334 ( -5.203 8.007 7.085) 11.890 3.645 ( 7.881 3.265 -3.970) 9.409 3.766 ( 0.979 6.488 -3.500) 7.437 4.097 ( 9.266 -3.263 -8.565) 13.033 4.246 ( 10.798 0.788 -8.924) 14.031 4.463 ( 2.885 1.572 -2.484) 4.119 5.056 ( -2.728 2.441 -6.856) 7.772 6.667 ( 46.623 -2.782 0.911) 46.714 6.724 ( 5.125 -7.352 -10.043) 13.460 8.356 ( -20.573 -2.057 4.256) 21.109 8.424 ( 6.071 0.010 -1.558) 6.268 9.068 ( 24.390 -2.109 4.837) 24.954 9.304 ( -5.279 -3.938 5.050) 8.299 9.360 ( -1.064 0.616 -0.289) 1.263 9.470 ( -9.496 -2.256 6.658) 11.815 9.857 ( 1.847 -6.629 -7.883) 10.464 9.973 ( -8.387 1.775 -3.129) 9.126 10.184 ( -5.157 4.397 -1.786) 7.008 10.235 ( -10.932 2.121 -0.600) 11.152 10.793 ( 4.459 1.237 -1.663) 4.917 10.878 ( 3.113 8.260 -4.234) 9.790 11.290 ( 2.151 6.355 -0.825) 6.760 11.662 ( -1.771 0.710 -0.277) 1.928 11.747 ( -4.455 7.810 5.916) 10.763 12.955 ( 5.202 -4.964 -0.881) 7.244 13.220 ( 0.156 1.288 2.972) 3.243 13.383 ( 2.858 -0.868 -5.372) 6.147 13.575 ( 3.236 7.928 -3.137) 9.120 13.709 ( 4.505 -0.269 3.165) 5.512 13.764 ( 1.940 3.139 -1.903) 4.152 15.692 ( -1.392 -0.731 -1.239) 2.002 15.736 ( -1.091 -0.982 -0.291) 1.497 16.002 ( 2.609 -2.807 -3.183) 4.982 16.291 ( -1.289 -10.108 0.263) 10.193 17.046 ( 17.235 13.439 -6.170) 22.710 18.256 ( -12.047 4.832 7.899) 15.195 18.883 ( 0.763 -6.582 -2.839) 7.208 19.281 ( 0.348 -3.299 -0.755) 3.403 ======================= Grid point 43 (35/148) ======================= q-point: (-0.29 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 6.230 9.703 5.448) 12.754 2.696 ( 12.262 18.041 -6.179) 22.672 2.914 ( -1.859 1.211 2.239) 3.152 3.271 ( -5.283 5.591 7.234) 10.559 3.463 ( 0.592 10.040 3.144) 10.537 3.729 ( -0.410 5.385 1.695) 5.660 3.912 ( 0.819 -0.161 -4.246) 4.327 4.172 ( -0.431 4.924 -6.989) 8.560 4.428 ( 8.457 -0.632 11.081) 13.954 4.743 ( 14.103 3.216 -5.716) 15.553 5.034 ( -4.985 6.187 0.625) 7.969 6.567 ( 1.832 -15.834 -8.196) 17.923 7.523 ( 31.097 -1.165 0.354) 31.121 7.652 ( -30.688 -2.253 2.925) 30.909 8.526 ( 4.327 -3.760 -0.401) 5.747 8.828 ( -9.428 -8.068 3.022) 12.772 9.313 ( -3.651 0.426 -1.025) 3.816 9.420 ( -1.291 0.949 -1.386) 2.119 9.680 ( 6.501 -5.302 -6.620) 10.686 9.725 ( -11.603 2.599 -3.677) 12.446 9.755 ( 9.454 -0.214 6.310) 11.369 10.096 ( 2.146 -3.601 0.694) 4.249 10.306 ( 2.322 6.904 -1.449) 7.427 10.701 ( -0.860 -6.746 9.900) 12.011 11.297 ( 2.971 19.108 -9.177) 21.405 11.511 ( 4.864 8.935 1.462) 10.277 11.653 ( -2.187 2.123 -2.352) 3.850 11.919 ( -1.156 13.823 7.088) 15.577 12.814 ( -1.844 -10.982 -3.609) 11.706 13.132 ( -1.913 -9.493 4.392) 10.633 13.484 ( 1.410 5.809 -1.284) 6.114 13.761 ( 0.805 5.125 3.713) 6.380 13.852 ( -1.848 4.801 -0.241) 5.150 13.908 ( 9.529 5.895 1.980) 11.378 15.637 ( -1.514 -1.758 -2.267) 3.244 15.685 ( -0.767 -1.584 -0.479) 1.824 15.992 ( 2.663 -4.155 -2.201) 5.403 16.062 ( -1.933 -8.735 -0.509) 8.961 17.582 ( 8.204 11.665 -0.020) 14.261 18.204 ( -4.265 8.353 4.102) 10.237 18.730 ( -1.462 -7.297 -3.697) 8.310 19.181 ( -0.275 -6.633 -0.750) 6.681 ======================= Grid point 44 (36/148) ======================= q-point: ( 0.21 -0.04 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -10.308 -9.144 -4.731) 14.569 2.592 ( -17.491 -13.820 3.586) 22.578 2.992 ( 2.211 2.284 -6.326) 7.080 3.385 ( 1.031 5.038 1.219) 5.285 3.482 ( -0.302 -11.401 -2.683) 11.717 3.792 ( -0.556 -6.695 -4.097) 7.869 3.847 ( 0.725 -0.628 0.891) 1.309 4.040 ( 3.405 -9.163 6.375) 11.670 4.607 ( -23.386 -8.477 6.039) 25.598 4.676 ( -6.618 -4.095 -12.238) 14.503 5.020 ( -0.622 -5.859 2.446) 6.379 6.388 ( -2.237 14.856 9.184) 17.608 7.533 ( -40.082 1.901 -0.552) 40.131 7.706 ( 38.772 3.503 -2.376) 39.003 8.519 ( -5.274 3.257 0.300) 6.206 8.899 ( 15.257 9.003 -3.883) 18.136 9.310 ( 0.868 2.660 -1.073) 2.996 9.401 ( 3.893 1.855 1.047) 4.438 9.549 ( -9.380 6.778 5.921) 13.000 9.622 ( 9.569 1.161 6.060) 11.386 9.884 ( 1.951 -3.732 -6.167) 7.467 10.073 ( -7.349 -2.353 2.869) 8.233 10.337 ( -5.601 -3.629 -3.724) 7.642 10.879 ( -1.078 8.446 -7.802) 11.548 11.141 ( -4.821 -24.032 6.619) 25.389 11.527 ( -4.739 -7.313 -0.569) 8.733 11.605 ( 2.766 -2.587 2.466) 4.520 12.041 ( -0.144 -14.073 -5.007) 14.938 12.743 ( 4.381 10.989 3.325) 12.289 13.209 ( 2.705 8.672 -2.922) 9.542 13.486 ( 0.193 -8.345 -1.728) 8.524 13.803 ( -1.050 -8.348 2.136) 8.680 13.833 ( -6.116 -4.550 -1.518) 7.773 13.978 ( -10.529 -0.971 -4.073) 11.331 15.595 ( 2.042 1.712 1.863) 3.251 15.670 ( 1.460 -0.076 0.861) 1.697 15.944 ( -2.005 2.206 2.483) 3.879 16.050 ( 1.840 10.573 0.605) 10.749 17.582 ( -13.422 -12.365 -0.010) 18.249 18.308 ( 5.419 -1.089 -6.540) 8.563 18.635 ( 2.970 2.919 6.018) 7.318 19.164 ( 0.805 6.447 0.859) 6.553 ======================= Grid point 45 (37/148) ======================= q-point: ( 0.21 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -17.694 -23.092 8.674) 30.357 1.931 ( -24.845 -7.099 -6.210) 26.575 3.057 ( -0.937 2.191 -7.391) 7.765 3.318 ( -7.240 -6.015 6.742) 11.579 3.444 ( 3.727 -3.872 -8.462) 10.025 3.661 ( -7.222 -3.869 6.474) 10.442 3.684 ( -3.570 -3.948 -7.975) 9.588 3.916 ( -5.081 -5.603 8.753) 11.568 4.091 ( -4.420 -1.342 7.450) 8.765 4.505 ( -6.359 -3.084 -4.896) 8.598 4.886 ( -1.855 -3.521 9.936) 10.704 6.526 ( -5.350 7.052 8.823) 12.498 6.705 ( -45.079 3.948 -1.809) 45.287 8.402 ( -8.717 0.867 0.703) 8.788 8.432 ( 22.528 1.821 -3.207) 22.828 9.124 ( -30.248 2.286 -1.283) 30.361 9.368 ( 1.427 0.151 -1.023) 1.762 9.405 ( 11.145 7.371 -4.680) 14.158 9.565 ( 11.169 2.853 -2.431) 11.781 9.722 ( -7.227 3.572 4.775) 9.369 9.915 ( 6.257 -1.764 2.482) 6.959 10.174 ( 8.846 -0.203 -0.657) 8.873 10.264 ( 12.058 -4.732 -2.427) 13.179 10.599 ( -4.299 -16.015 10.090) 19.410 10.970 ( -5.814 4.150 -5.486) 9.007 11.283 ( -3.859 -7.516 0.045) 8.449 11.632 ( 4.687 -1.419 2.096) 5.327 11.847 ( 3.163 -7.719 -4.056) 9.276 12.933 ( -2.851 5.142 1.244) 6.010 13.288 ( -2.507 -5.173 -3.893) 6.943 13.306 ( -2.463 -1.278 2.689) 3.863 13.537 ( -7.652 -7.831 0.983) 10.993 13.661 ( -2.693 -1.628 4.430) 5.434 13.821 ( -6.596 1.783 -3.708) 7.774 15.667 ( 2.061 0.542 0.871) 2.303 15.711 ( 2.494 0.303 2.164) 3.315 15.949 ( -1.097 1.582 2.179) 2.908 16.284 ( -2.114 12.508 0.640) 12.702 16.968 ( -17.302 -15.854 2.421) 23.591 18.427 ( 8.535 -1.254 -9.966) 13.181 18.786 ( 1.697 5.711 7.287) 9.413 19.265 ( -0.345 3.224 0.752) 3.329 ======================= Grid point 46 (38/148) ======================= q-point: ( 0.71 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -5.637 10.610 7.668) 14.253 2.862 ( -6.683 -0.448 -2.630) 7.196 3.048 ( 3.016 -4.659 -0.485) 5.571 3.205 ( -3.392 -1.823 3.250) 5.039 3.556 ( -5.978 2.545 3.645) 7.450 3.857 ( 3.962 6.822 -1.279) 7.992 4.050 ( 7.989 8.654 1.091) 11.829 4.226 ( 1.817 -0.252 -8.571) 8.765 4.682 ( 6.596 1.849 16.077) 17.475 4.829 ( 4.856 -2.297 7.881) 9.537 5.302 ( 3.096 16.957 -4.314) 17.769 6.177 ( -2.153 -22.665 -7.143) 23.861 6.672 ( -46.793 -2.936 4.040) 47.058 8.181 ( 15.892 1.174 0.303) 15.938 8.482 ( -8.771 -3.985 0.429) 9.643 8.649 ( 14.164 -2.177 -2.915) 14.624 9.131 ( -22.117 0.396 -4.202) 22.516 9.250 ( -5.431 2.006 -1.585) 6.003 9.555 ( -2.772 -0.875 -0.845) 3.027 9.762 ( 2.687 -3.786 1.074) 4.765 9.969 ( 18.556 -2.544 -8.787) 20.689 10.192 ( 4.265 -0.466 11.313) 12.099 10.513 ( 7.952 3.823 -2.588) 9.195 10.618 ( 4.191 -3.572 4.813) 7.314 11.518 ( -4.485 2.951 0.432) 5.386 11.701 ( 2.292 5.246 0.081) 5.726 11.865 ( 0.655 15.743 -5.510) 16.693 12.154 ( -4.731 14.514 10.745) 18.669 12.562 ( 2.222 -10.957 -6.958) 13.169 12.829 ( -2.129 -15.131 4.118) 15.826 13.569 ( -5.179 5.397 -0.962) 7.542 13.762 ( -3.514 -2.247 5.930) 7.250 13.847 ( -7.128 2.959 3.180) 8.347 14.251 ( 10.682 5.859 1.579) 12.285 15.591 ( -0.021 -0.611 -1.578) 1.693 15.658 ( 0.908 -1.173 -0.566) 1.588 15.851 ( -2.426 -4.768 -1.191) 5.480 16.001 ( 3.655 -3.838 -1.704) 5.567 17.786 ( -6.885 10.240 5.066) 13.339 18.286 ( 2.100 -6.958 -4.146) 8.367 18.682 ( 2.254 7.517 -0.117) 7.848 19.040 ( 1.269 -7.685 -1.543) 7.941 ======================= Grid point 47 (39/148) ======================= q-point: (-0.29 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -7.826 -8.417 5.738) 12.846 2.573 ( -15.522 -8.634 -6.576) 18.940 2.802 ( -8.692 2.513 0.127) 9.049 3.064 ( -5.912 -0.875 8.883) 10.706 3.555 ( 0.907 0.987 5.597) 5.755 4.011 ( -0.372 2.094 -2.180) 3.045 4.261 ( 6.833 -3.558 -2.087) 7.982 4.342 ( 4.765 -0.877 -0.927) 4.933 4.680 ( 7.045 -3.841 1.523) 8.168 4.973 ( 8.567 -9.044 3.823) 13.030 5.505 ( -14.820 -5.130 -7.752) 17.495 5.757 ( -29.856 2.529 2.046) 30.033 5.803 ( 0.176 -2.663 -6.228) 6.776 8.214 ( -9.579 -1.754 -0.517) 9.752 8.303 ( -7.628 5.910 4.872) 10.810 8.693 ( -16.594 2.007 0.272) 16.717 9.037 ( 14.911 0.478 -2.799) 15.179 9.195 ( -3.932 2.345 0.045) 4.579 9.537 ( -0.129 0.816 -4.035) 4.119 9.670 ( 1.919 -6.349 3.683) 7.587 10.176 ( 0.366 0.714 4.478) 4.550 10.436 ( 17.588 2.904 -4.745) 18.447 10.670 ( 10.867 -4.699 -3.524) 12.353 10.738 ( 7.050 0.975 -1.057) 7.195 11.406 ( -6.502 -0.726 0.589) 6.569 11.787 ( -0.915 -5.591 -1.895) 5.974 11.908 ( -2.824 1.216 1.452) 3.400 12.261 ( -8.152 -3.877 10.123) 13.564 12.474 ( 3.366 -0.171 -7.422) 8.152 12.722 ( 3.025 8.256 5.018) 10.124 13.494 ( -8.901 2.353 -2.813) 9.627 13.584 ( -5.731 -4.739 4.050) 8.468 13.678 ( -8.063 -3.112 4.755) 9.864 14.474 ( 7.559 -2.809 -0.503) 8.080 15.603 ( -0.450 1.445 0.671) 1.656 15.681 ( 1.810 0.449 -0.790) 2.025 15.784 ( -0.144 0.231 -2.253) 2.270 16.005 ( 2.290 -1.877 -2.482) 3.863 17.699 ( -7.851 -5.944 0.833) 9.883 18.178 ( -2.038 2.828 0.280) 3.497 18.922 ( 5.618 -2.251 -2.135) 6.418 18.982 ( 3.130 3.857 -0.797) 5.031 ======================= Grid point 48 (40/148) ======================= q-point: ( 0.21 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -19.270 0.000 17.316) 25.907 1.284 ( -29.319 0.000 -0.883) 29.332 2.595 ( -44.536 0.000 24.570) 50.864 3.082 ( 1.270 -0.000 -7.037) 7.151 3.519 ( 5.714 -0.000 -5.724) 8.088 3.561 ( -4.457 0.000 9.631) 10.613 3.676 ( 8.265 -0.000 -13.311) 15.668 3.828 ( -1.606 0.000 8.323) 8.477 4.136 ( 6.572 0.000 1.038) 6.653 4.338 ( -5.229 0.000 3.775) 6.449 4.791 ( -5.489 0.000 9.637) 11.091 5.896 ( -38.953 0.000 -5.366) 39.321 6.486 ( -5.682 0.000 9.251) 10.857 8.173 ( -11.569 0.000 -0.976) 11.610 8.476 ( -30.743 0.000 -0.439) 30.746 8.709 ( 3.967 0.000 0.588) 4.010 9.489 ( 6.709 -0.000 -1.822) 6.952 9.624 ( -2.441 0.000 11.359) 11.618 9.689 ( 5.696 -0.000 -9.616) 11.177 9.826 ( -2.627 0.000 3.371) 4.274 9.921 ( 10.569 -0.000 -2.936) 10.969 10.229 ( -0.008 -0.000 -0.426) 0.426 10.516 ( 8.154 0.000 6.657) 10.526 10.518 ( 13.555 -0.000 -4.261) 14.209 10.889 ( -3.716 -0.000 -1.653) 4.067 11.127 ( -2.122 0.000 2.509) 3.286 11.757 ( 8.348 -0.000 -1.396) 8.464 11.850 ( 3.520 -0.000 -3.019) 4.638 12.827 ( -11.201 0.000 -0.909) 11.238 13.146 ( -6.043 0.000 1.860) 6.323 13.239 ( -1.967 0.000 5.539) 5.878 13.281 ( -5.193 0.000 4.545) 6.901 13.629 ( 0.121 0.000 2.111) 2.115 13.753 ( -3.413 -0.000 -2.906) 4.483 15.705 ( 1.661 0.000 0.980) 1.928 15.758 ( 1.027 0.000 0.314) 1.074 15.956 ( -0.282 0.000 1.389) 1.417 16.258 ( -21.998 0.000 7.745) 23.322 16.558 ( 3.801 -0.000 -1.305) 4.019 18.576 ( 7.061 -0.000 -8.076) 10.728 18.879 ( 0.720 0.000 5.074) 5.125 19.281 ( -1.057 0.000 0.755) 1.299 ======================= Grid point 49 (41/148) ======================= q-point: ( 0.21 -0.04 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -19.573 20.473 3.470) 28.536 1.165 ( -20.173 18.981 18.507) 33.313 2.000 ( -28.682 33.669 33.617) 55.555 3.133 ( 3.770 -1.389 -1.259) 4.210 3.356 ( -6.587 -5.847 8.800) 12.450 3.731 ( 4.141 8.056 -5.091) 10.391 3.844 ( 8.217 0.332 -6.577) 10.530 3.957 ( 2.201 12.573 0.862) 12.793 4.250 ( 1.642 2.584 -0.684) 3.137 4.319 ( -1.554 3.606 4.608) 6.054 4.660 ( -8.207 2.473 10.488) 13.546 5.148 ( -26.785 -5.405 -1.535) 27.368 6.333 ( -3.365 -5.696 9.489) 11.567 7.952 ( -15.478 2.624 -2.423) 15.885 8.035 ( -10.309 1.093 0.850) 10.401 8.747 ( -0.492 3.185 5.616) 6.475 9.469 ( -2.108 -1.222 2.502) 3.493 9.548 ( 1.593 -8.789 -0.672) 8.957 9.633 ( -1.922 -9.357 -5.718) 11.133 9.841 ( -1.013 3.471 7.286) 8.134 10.081 ( 9.186 -2.514 -2.091) 9.750 10.344 ( -4.459 12.636 -0.949) 13.434 10.561 ( -2.210 -1.911 -3.849) 4.832 10.715 ( 2.386 4.879 5.264) 7.563 10.900 ( 7.350 -2.931 5.399) 9.579 11.257 ( 2.694 5.506 -0.413) 6.144 11.893 ( 4.471 0.599 -5.982) 7.492 11.996 ( 7.459 4.576 -3.564) 9.448 12.539 ( -14.605 -1.320 -2.646) 14.902 13.060 ( -6.120 4.850 2.897) 8.329 13.205 ( -0.845 2.598 2.468) 3.682 13.529 ( 3.794 4.389 -3.517) 6.785 13.649 ( -1.967 -5.256 -2.410) 6.108 13.772 ( 12.224 18.317 5.244) 22.637 15.696 ( -6.662 -0.989 -3.020) 7.381 15.737 ( 1.487 -0.129 0.846) 1.715 15.886 ( -4.140 -4.309 3.574) 6.963 15.942 ( -2.321 -1.724 8.396) 8.880 16.728 ( 0.212 10.541 -0.166) 10.545 18.648 ( 0.681 -6.703 2.932) 7.348 18.794 ( 0.406 -2.980 -0.253) 3.018 19.247 ( -0.104 -1.307 1.047) 1.678 ======================= Grid point 50 (42/148) ======================= q-point: (-0.29 -0.04 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -10.175 -22.317 -3.938) 24.841 2.043 ( -14.844 -13.550 -10.790) 22.811 2.847 ( -5.788 11.512 2.657) 13.157 3.031 ( -2.714 7.651 7.064) 10.762 3.578 ( 1.239 -2.813 4.662) 5.584 3.935 ( -0.759 -9.442 -0.140) 9.473 4.161 ( 2.203 -18.695 -14.280) 23.628 4.274 ( -3.347 -1.253 4.419) 5.683 4.728 ( 2.623 -20.140 3.908) 20.683 4.782 ( 11.005 -9.929 -16.389) 22.097 4.993 ( -16.989 -1.812 -2.432) 17.258 5.293 ( -7.642 -9.166 -8.535) 14.672 6.066 ( -1.392 15.562 -7.062) 17.146 8.034 ( -11.130 -2.080 1.551) 11.428 8.047 ( -11.211 0.357 1.492) 11.316 8.751 ( 1.280 14.905 11.539) 18.893 9.130 ( 0.308 -4.260 -3.950) 5.817 9.239 ( 0.130 4.744 1.167) 4.887 9.531 ( -1.233 0.028 -2.979) 3.224 9.698 ( 3.262 3.075 0.302) 4.493 10.224 ( 0.305 3.868 2.691) 4.722 10.568 ( 2.324 -4.679 -9.594) 10.924 10.817 ( 3.265 -4.348 -1.194) 5.567 10.965 ( 16.191 -1.845 -6.712) 17.624 11.239 ( -5.915 -5.603 -1.593) 8.302 11.519 ( 0.328 -14.471 -1.186) 14.523 11.832 ( 0.020 -6.149 4.870) 7.843 12.085 ( 0.196 -0.635 8.079) 8.107 12.453 ( -8.147 1.488 -3.577) 9.021 13.050 ( 3.598 13.917 4.767) 15.145 13.346 ( -7.139 -0.203 -1.851) 7.378 13.389 ( -3.972 -4.645 -0.676) 6.149 13.510 ( -2.772 -1.042 2.653) 3.976 14.462 ( 4.919 -10.126 -1.636) 11.375 15.606 ( -2.012 1.033 1.456) 2.690 15.721 ( 0.537 1.046 -0.464) 1.265 15.812 ( 0.013 1.859 -2.874) 3.423 16.022 ( 0.865 0.467 -4.905) 5.002 17.341 ( -3.525 -15.756 -1.631) 16.228 18.293 ( -2.157 11.026 1.542) 11.341 18.906 ( 4.001 -5.496 -1.970) 7.077 19.160 ( 2.183 4.368 -0.635) 4.924 ======================= Grid point 51 (43/148) ======================= q-point: (-0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.000 -9.326 -15.044) 17.700 2.093 ( -0.000 -10.113 -16.328) 19.206 2.702 ( 0.000 15.312 4.446) 15.945 2.932 ( 0.000 13.806 -0.793) 13.829 3.547 ( -0.000 0.159 -0.652) 0.671 3.938 ( -0.000 -4.539 -0.383) 4.555 4.160 ( -0.000 -0.472 -0.125) 0.489 4.469 ( -0.000 -15.497 -10.977) 18.991 4.672 ( -0.000 -24.020 2.859) 24.189 4.865 ( -0.000 -0.177 -1.011) 1.026 5.235 ( -0.000 -7.650 -11.802) 14.064 5.355 ( -0.000 -2.054 -7.643) 7.915 6.121 ( 0.000 15.302 -0.123) 15.302 7.859 ( -0.000 -2.620 0.207) 2.628 7.937 ( 0.000 -0.597 1.228) 1.365 8.538 ( 0.000 14.214 9.091) 16.872 9.111 ( 0.000 0.674 3.309) 3.377 9.336 ( -0.000 -0.985 -6.674) 6.746 9.607 ( -0.000 4.861 -7.008) 8.529 9.702 ( 0.000 0.991 3.752) 3.881 10.158 ( 0.000 4.083 3.267) 5.229 10.759 ( -0.000 0.080 -4.243) 4.244 10.828 ( -0.000 -8.094 2.188) 8.385 11.217 ( -0.000 -2.549 -2.428) 3.521 11.390 ( -0.000 -5.526 -15.389) 16.351 11.597 ( 0.000 -1.546 10.475) 10.588 11.614 ( -0.000 -10.997 -6.512) 12.780 11.953 ( 0.000 -0.675 7.589) 7.619 12.447 ( -0.000 -3.338 -5.500) 6.433 12.985 ( 0.000 15.450 7.105) 17.006 13.344 ( -0.000 0.428 -3.179) 3.208 13.394 ( -0.000 -1.421 -3.330) 3.621 13.441 ( -0.000 0.632 -1.419) 1.553 14.538 ( -0.000 -7.465 -2.089) 7.751 15.568 ( 0.000 -0.446 0.449) 0.633 15.729 ( 0.000 0.847 0.490) 0.978 15.850 ( 0.000 1.397 -0.164) 1.406 16.103 ( -0.000 2.559 -2.562) 3.622 17.358 ( -0.000 -13.588 -4.514) 14.318 18.238 ( 0.000 11.871 1.365) 11.950 18.965 ( -0.000 -6.407 0.302) 6.414 19.177 ( 0.000 2.975 1.984) 3.576 ======================= Grid point 52 (44/148) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.000 23.613 0.000) 23.613 0.700 ( 0.000 35.313 0.000) 35.313 1.261 ( 0.000 62.994 0.000) 62.994 3.163 ( -0.000 -4.582 -0.000) 4.582 3.268 ( 0.000 2.886 0.000) 2.886 3.822 ( 0.000 0.992 0.000) 0.992 3.901 ( 0.000 12.637 0.000) 12.637 4.096 ( 0.000 3.827 0.000) 3.827 4.133 ( 0.000 4.874 0.000) 4.874 4.382 ( 0.000 5.862 0.000) 5.862 4.434 ( -0.000 -0.808 -0.000) 0.808 4.765 ( 0.000 0.725 0.000) 0.725 6.186 ( -0.000 -4.091 -0.000) 4.091 7.777 ( 0.000 2.260 0.000) 2.260 7.951 ( 0.000 1.870 0.000) 1.870 8.667 ( 0.000 4.641 0.000) 4.641 9.417 ( 0.000 1.224 0.000) 1.224 9.563 ( -0.000 -5.577 -0.000) 5.577 9.571 ( -0.000 -5.124 -0.000) 5.124 9.766 ( 0.000 3.457 0.000) 3.457 10.229 ( -0.000 -8.687 -0.000) 8.687 10.267 ( 0.000 13.529 0.000) 13.529 10.536 ( 0.000 0.698 0.000) 0.698 10.683 ( 0.000 2.185 0.000) 2.185 10.920 ( 0.000 2.584 0.000) 2.584 11.309 ( 0.000 0.950 0.000) 0.950 11.952 ( 0.000 3.935 0.000) 3.935 12.230 ( -0.000 -0.412 -0.000) 0.412 12.408 ( -0.000 -5.354 -0.000) 5.354 12.963 ( 0.000 6.134 0.000) 6.134 13.182 ( 0.000 3.833 0.000) 3.833 13.614 ( -0.000 -1.920 -0.000) 1.920 13.652 ( -0.000 -6.034 -0.000) 6.034 14.249 ( 0.000 4.438 0.000) 4.438 15.618 ( 0.000 0.135 0.000) 0.135 15.748 ( 0.000 1.116 0.000) 1.116 15.749 ( -0.000 -1.073 -0.000) 1.073 15.801 ( -0.000 -0.405 -0.000) 0.405 16.735 ( 0.000 8.875 0.000) 8.875 18.453 ( -0.000 -0.811 -0.000) 0.811 18.820 ( -0.000 -0.227 -0.000) 0.227 19.237 ( -0.000 -0.830 -0.000) 0.830 ======================= Grid point 53 (45/148) ======================= q-point: ( 0.06 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 28.979 17.434 0.000) 33.819 1.500 ( 11.469 29.209 0.000) 31.380 2.580 ( 14.445 50.996 0.000) 53.002 3.050 ( 0.914 -6.943 -0.000) 7.003 3.311 ( -2.762 5.269 0.000) 5.949 3.815 ( -2.443 1.508 0.000) 2.871 3.941 ( -4.706 1.152 0.000) 4.845 4.265 ( 0.266 3.261 0.000) 3.271 4.371 ( -4.100 25.461 0.000) 25.789 4.526 ( -0.618 13.334 0.000) 13.348 4.532 ( 9.304 -0.741 -0.000) 9.333 5.062 ( 25.318 -2.658 -0.000) 25.457 6.084 ( 2.673 -10.265 -0.000) 10.608 8.031 ( 18.609 2.341 0.000) 18.756 8.058 ( 5.657 2.046 0.000) 6.016 8.785 ( -1.561 6.041 0.000) 6.240 9.426 ( -0.228 -7.810 -0.000) 7.813 9.439 ( 0.727 -3.160 -0.000) 3.243 9.487 ( 2.611 -7.789 -0.000) 8.214 9.874 ( 2.066 6.885 0.000) 7.188 9.922 ( -8.637 -9.761 -0.000) 13.034 10.481 ( 7.463 -1.434 -0.000) 7.600 10.670 ( -7.591 2.575 0.000) 8.016 10.849 ( 7.284 21.010 0.000) 22.237 10.868 ( -10.585 2.019 0.000) 10.775 11.347 ( -0.211 4.309 0.000) 4.315 11.997 ( -11.583 -1.927 -0.000) 11.742 12.071 ( 0.767 7.363 0.000) 7.403 12.501 ( 11.948 -5.097 -0.000) 12.990 13.187 ( 6.285 9.213 0.000) 11.152 13.261 ( 0.794 0.864 0.000) 1.173 13.503 ( 2.709 -9.548 -0.000) 9.925 13.585 ( 0.583 -0.239 -0.000) 0.630 14.153 ( -17.041 17.504 0.000) 24.429 15.704 ( 6.425 -2.150 -0.000) 6.776 15.758 ( -0.828 -1.770 -0.000) 1.954 15.778 ( 0.732 2.202 0.000) 2.320 15.791 ( 3.463 -3.596 -0.000) 4.992 16.990 ( 1.797 15.782 0.000) 15.883 18.443 ( 1.525 -5.396 -0.000) 5.608 18.798 ( -1.750 0.205 0.000) 1.762 19.201 ( -0.718 -2.470 -0.000) 2.573 ======================= Grid point 54 (46/148) ======================= q-point: (-0.44 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.394 -9.278 -21.732) 23.633 2.190 ( 16.831 -6.225 -20.470) 27.222 3.006 ( -1.805 11.290 0.429) 11.442 3.281 ( 6.167 13.933 -0.492) 15.245 3.475 ( -1.751 -7.113 -3.346) 8.053 3.779 ( -1.943 -7.029 -6.895) 10.036 4.041 ( -4.001 -18.441 -12.686) 22.738 4.219 ( 5.243 -6.789 -1.987) 8.805 4.245 ( 1.070 -14.687 3.653) 15.172 4.913 ( -9.231 -9.682 -16.040) 20.886 5.024 ( 18.504 -1.303 -3.207) 18.825 5.348 ( 2.261 -0.975 -8.498) 8.848 6.460 ( 3.947 13.985 -3.544) 14.957 7.949 ( 13.115 -3.790 0.775) 13.673 8.022 ( 11.025 0.086 1.518) 11.129 8.835 ( -3.825 13.576 10.720) 17.716 9.134 ( 2.159 0.906 3.194) 3.961 9.298 ( -3.125 2.049 -3.654) 5.227 9.684 ( -4.772 1.851 7.868) 9.386 9.790 ( 3.612 9.403 -14.719) 17.835 10.245 ( -1.245 4.001 3.612) 5.532 10.550 ( -3.449 -11.771 -0.829) 12.294 10.699 ( -3.519 -4.428 -3.291) 6.544 11.065 ( -16.584 -3.225 -8.278) 18.814 11.201 ( 3.429 -6.221 -7.821) 10.565 11.415 ( 1.261 -6.058 -7.343) 9.602 11.624 ( 1.022 -3.565 5.418) 6.565 11.881 ( -1.431 -4.329 7.501) 8.778 12.543 ( 9.446 1.621 -3.323) 10.144 13.191 ( -4.469 8.164 4.864) 10.501 13.369 ( 2.602 -0.752 0.983) 2.881 13.424 ( 6.265 0.151 -4.907) 7.960 13.519 ( 2.654 2.843 -6.657) 7.710 14.281 ( -4.661 -13.556 -5.116) 15.221 15.593 ( 2.960 0.376 1.502) 3.341 15.736 ( -1.133 0.827 1.023) 1.736 15.896 ( 0.414 3.352 -0.852) 3.483 16.178 ( -0.145 5.681 -4.150) 7.037 17.098 ( 3.676 -15.687 -7.174) 17.637 18.509 ( 2.350 11.360 2.301) 11.826 18.766 ( -5.368 -7.460 2.039) 9.414 19.223 ( -0.584 3.015 1.412) 3.380 ======================= Grid point 55 (47/148) ======================= q-point: (-0.44 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 7.722 -0.855 -21.959) 23.293 2.227 ( 7.538 -17.150 -19.789) 27.250 3.047 ( -6.774 3.276 -2.912) 8.069 3.275 ( -4.716 -5.331 4.383) 8.359 3.380 ( -6.519 -4.852 0.971) 8.185 3.681 ( 3.346 -9.621 -14.147) 17.433 3.810 ( -1.361 -0.491 -1.356) 1.983 4.036 ( 6.604 -0.900 -2.296) 7.050 4.276 ( 6.863 -2.814 -9.109) 11.747 4.620 ( -4.973 -4.047 -11.623) 13.274 5.226 ( -0.074 -0.672 -7.467) 7.497 5.770 ( 38.884 2.240 -1.666) 38.984 6.783 ( 5.483 8.148 -6.148) 11.587 8.163 ( 13.989 -1.095 -0.392) 14.037 8.411 ( 23.935 0.916 3.440) 24.198 8.745 ( -12.800 -1.011 2.222) 13.031 9.271 ( -1.165 1.362 7.852) 8.054 9.334 ( 0.592 8.203 1.678) 8.393 9.562 ( -9.796 0.986 7.611) 12.445 10.054 ( 0.762 7.090 -14.654) 16.297 10.166 ( -5.215 -1.424 -2.688) 6.037 10.337 ( -6.766 -2.737 1.477) 7.446 10.470 ( -9.053 -3.608 -2.093) 9.968 10.763 ( -6.482 0.313 -2.084) 6.816 11.034 ( 0.492 -11.746 -11.952) 16.765 11.349 ( -1.031 -3.495 -5.798) 6.848 11.610 ( 0.273 0.482 5.490) 5.518 11.733 ( -3.215 -5.624 5.194) 8.304 12.796 ( 10.067 2.737 -0.764) 10.460 13.187 ( -1.128 -0.001 2.737) 2.960 13.451 ( 3.509 1.666 -4.693) 6.092 13.550 ( 3.187 -0.674 3.045) 4.459 13.615 ( 2.756 2.303 -9.148) 9.828 13.911 ( -4.751 -10.770 -8.288) 14.396 15.678 ( 2.769 1.089 2.824) 4.102 15.723 ( -0.866 0.385 1.183) 1.516 15.998 ( 2.494 3.545 -1.998) 4.773 16.314 ( -1.492 8.061 0.673) 8.226 16.940 ( 10.663 -12.638 -12.822) 20.924 18.401 ( -11.968 -5.887 4.127) 13.961 18.816 ( 4.229 6.796 3.404) 8.698 19.280 ( 0.461 2.657 0.326) 2.717 ======================= Grid point 56 (48/148) ======================= q-point: ( 0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 20.265 14.285 0.000) 24.794 2.226 ( 9.888 21.984 0.000) 24.106 2.965 ( 3.036 -5.459 -0.000) 6.246 3.175 ( -4.416 2.727 0.000) 5.190 3.740 ( 7.620 8.361 0.000) 11.312 3.820 ( -0.408 2.796 0.000) 2.825 4.055 ( 4.034 27.715 0.000) 28.007 4.204 ( -7.470 -0.060 0.000) 7.470 4.573 ( -2.253 3.930 0.000) 4.530 4.873 ( 4.275 13.846 0.000) 14.491 4.878 ( 3.604 20.504 0.000) 20.818 5.703 ( 40.127 1.138 -0.000) 40.144 5.861 ( 2.277 -17.726 -0.000) 17.872 8.210 ( 6.970 0.018 -0.000) 6.970 8.503 ( 24.455 -1.462 -0.000) 24.499 8.728 ( -12.570 0.956 0.000) 12.606 9.192 ( -4.569 -13.926 -0.000) 14.656 9.301 ( 0.041 -3.541 -0.000) 3.541 9.410 ( 1.148 -6.619 -0.000) 6.718 9.709 ( -3.636 3.677 0.000) 5.171 10.126 ( 4.035 10.472 0.000) 11.223 10.351 ( -21.969 -3.307 -0.000) 22.216 10.593 ( 8.739 -4.500 -0.000) 9.829 10.672 ( -11.448 2.106 0.000) 11.640 11.362 ( 8.183 7.582 0.000) 11.155 11.529 ( -0.925 20.421 0.000) 20.442 11.820 ( -5.891 1.162 0.000) 6.004 12.286 ( 2.889 11.342 0.000) 11.704 12.525 ( 3.619 -11.250 -0.000) 11.818 13.104 ( -1.733 -13.652 -0.000) 13.762 13.511 ( 11.251 -4.942 -0.000) 12.289 13.531 ( 8.765 9.176 0.000) 12.689 13.711 ( 4.099 7.891 0.000) 8.892 14.221 ( -11.052 15.666 0.000) 19.172 15.676 ( -3.281 -1.586 -0.000) 3.644 15.704 ( 0.350 -3.656 -0.000) 3.672 15.782 ( 3.136 -3.786 -0.000) 4.916 15.852 ( 1.807 0.705 0.000) 1.940 17.416 ( 7.017 17.215 0.000) 18.591 18.319 ( -1.270 -6.832 -0.000) 6.949 18.781 ( -2.035 2.581 0.000) 3.287 19.093 ( -2.338 -5.760 -0.000) 6.217 ======================= Grid point 57 (49/148) ======================= q-point: ( 0.06 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 7.993 7.615 0.000) 11.040 2.708 ( 3.070 11.077 0.000) 11.495 2.952 ( 3.432 -1.875 -0.000) 3.911 3.111 ( -5.176 2.350 0.000) 5.684 3.767 ( 1.974 -3.744 -0.000) 4.233 3.911 ( 1.514 2.306 0.000) 2.758 4.042 ( -3.758 -0.816 -0.000) 3.845 4.260 ( -8.060 -5.070 -0.000) 9.522 4.910 ( 6.129 15.223 0.000) 16.410 5.090 ( -2.766 3.896 0.000) 4.778 5.408 ( 3.487 26.263 0.000) 26.493 5.481 ( -0.275 -22.971 -0.000) 22.972 6.652 ( 46.401 4.906 0.000) 46.660 8.250 ( -19.610 -2.174 -0.000) 19.730 8.434 ( 0.156 2.865 0.000) 2.869 8.681 ( -0.894 -9.921 -0.000) 9.961 9.046 ( 13.324 -1.768 -0.000) 13.441 9.271 ( -0.697 0.337 0.000) 0.774 9.359 ( 1.740 -0.754 -0.000) 1.897 9.779 ( -21.652 -2.459 -0.000) 21.791 9.823 ( 7.899 1.764 0.000) 8.093 10.424 ( -10.388 1.598 0.000) 10.510 10.497 ( 1.023 10.072 0.000) 10.124 10.603 ( 1.273 -5.424 -0.000) 5.572 11.549 ( 6.038 0.286 0.000) 6.045 11.748 ( -4.140 0.374 0.000) 4.157 11.989 ( 2.939 20.862 0.000) 21.068 12.186 ( -4.904 -20.315 -0.000) 20.898 12.632 ( 4.476 15.384 0.000) 16.022 12.756 ( -2.062 -16.913 -0.000) 17.038 13.663 ( 11.598 -5.469 -0.000) 12.823 13.830 ( 4.862 5.524 0.000) 7.359 13.955 ( 4.501 5.025 0.000) 6.746 14.233 ( -10.803 5.811 0.000) 12.267 15.603 ( -1.270 -4.341 -0.000) 4.523 15.616 ( -2.003 2.165 0.000) 2.950 15.782 ( 2.869 -1.814 -0.000) 3.394 15.875 ( -1.481 1.824 0.000) 2.349 17.876 ( 8.025 12.829 0.000) 15.132 18.133 ( -3.655 -7.577 -0.000) 8.412 18.844 ( -0.323 6.650 0.000) 6.658 18.884 ( -3.024 -9.180 -0.000) 9.666 ======================= Grid point 58 (50/148) ======================= q-point: (-0.44 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 7.333 -0.000 -14.668) 16.399 2.091 ( 5.430 -0.000 -13.842) 14.869 2.944 ( -4.190 -0.000 -3.095) 5.209 3.055 ( -8.800 0.000 3.752) 9.566 3.120 ( -9.636 0.000 2.712) 10.010 3.685 ( 1.036 -0.000 -1.130) 1.534 3.699 ( -2.117 0.000 0.283) 2.135 4.316 ( 10.270 -0.000 -6.157) 11.974 4.365 ( 4.366 -0.000 -4.957) 6.606 4.589 ( 7.227 -0.000 -10.572) 12.806 5.126 ( -9.290 -0.000 -1.840) 9.470 6.678 ( 45.222 -0.000 -0.098) 45.222 6.968 ( 5.460 -0.000 -6.159) 8.231 8.310 ( -27.260 0.000 3.171) 27.444 8.456 ( 14.306 -0.000 -2.679) 14.555 8.978 ( 25.032 0.000 6.877) 25.959 9.206 ( -5.449 0.000 5.450) 7.707 9.380 ( -3.583 -0.000 -2.800) 4.547 9.399 ( -5.429 0.000 4.713) 7.189 9.948 ( -9.818 0.000 3.809) 10.531 10.010 ( -4.707 -0.000 -4.974) 6.848 10.153 ( -13.474 -0.000 -2.143) 13.643 10.425 ( 2.450 -0.000 -9.380) 9.695 10.760 ( 1.221 0.000 1.759) 2.141 10.912 ( 2.635 -0.000 -8.300) 8.708 11.272 ( -1.562 -0.000 -4.531) 4.793 11.533 ( -5.477 0.000 6.010) 8.131 11.650 ( 0.108 0.000 2.211) 2.213 13.007 ( 7.227 -0.000 0.470) 7.243 13.179 ( -0.148 0.000 1.165) 1.174 13.527 ( 1.015 -0.000 -5.104) 5.204 13.545 ( 0.266 0.000 0.857) 0.897 13.673 ( 0.276 -0.000 -5.880) 5.886 13.777 ( 1.200 -0.000 -2.678) 2.935 15.703 ( -0.363 0.000 1.189) 1.244 15.736 ( 0.682 0.000 1.428) 1.582 16.102 ( 3.585 -0.000 -3.158) 4.778 16.335 ( -4.397 0.000 5.425) 6.983 17.107 ( 16.722 -0.000 -13.922) 21.759 18.059 ( -14.620 0.000 5.797) 15.727 18.955 ( 2.570 0.000 2.423) 3.532 19.323 ( 0.618 -0.000 0.014) 0.618 ======================= Grid point 59 (51/148) ======================= q-point: (-0.44 -0.06 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -0.000 5.250 0.000) 5.250 2.363 ( -0.000 18.979 0.000) 18.979 2.874 ( -0.000 -1.229 0.000) 1.229 3.035 ( -0.000 8.690 0.000) 8.690 3.157 ( -0.000 11.413 0.000) 11.413 3.684 ( -0.000 0.129 0.000) 0.129 3.794 ( -0.000 10.491 0.000) 10.491 4.321 ( -0.000 -7.267 0.000) 7.267 4.372 ( -0.000 -2.142 0.000) 2.142 4.865 ( 0.000 -2.409 -0.000) 2.409 4.893 ( -0.000 4.419 0.000) 4.419 6.898 ( -0.000 -8.403 0.000) 8.403 7.551 ( 0.000 -1.748 0.000) 1.748 7.642 ( -0.000 -0.823 0.000) 0.823 8.604 ( -0.000 -2.989 0.000) 2.989 8.951 ( -0.000 -8.384 0.000) 8.384 9.284 ( -0.000 4.246 0.000) 4.246 9.368 ( -0.000 3.521 0.000) 3.521 9.658 ( 0.000 0.797 0.000) 0.797 9.703 ( -0.000 1.954 -0.000) 1.954 9.833 ( 0.000 -2.912 -0.000) 2.912 10.115 ( -0.000 4.590 0.000) 4.590 10.349 ( -0.000 -6.961 -0.000) 6.961 10.696 ( -0.000 -6.422 0.000) 6.422 11.110 ( -0.000 14.027 -0.000) 14.027 11.315 ( -0.000 5.560 0.000) 5.560 11.589 ( -0.000 10.742 0.000) 10.742 11.657 ( -0.000 0.683 -0.000) 0.683 13.023 ( -0.000 -6.404 0.000) 6.404 13.178 ( -0.000 -0.463 0.000) 0.463 13.494 ( -0.000 -2.394 -0.000) 2.394 13.612 ( -0.000 5.680 -0.000) 5.680 13.724 ( -0.000 4.439 0.000) 4.439 13.816 ( -0.000 2.301 0.000) 2.301 15.690 ( -0.000 -0.946 0.000) 0.946 15.726 ( -0.000 -1.434 0.000) 1.434 16.112 ( -0.000 -3.911 0.000) 3.911 16.209 ( 0.000 -6.179 -0.000) 6.179 17.402 ( 0.000 6.706 -0.000) 6.706 17.952 ( -0.000 8.988 0.000) 8.988 18.919 ( -0.000 -6.098 0.000) 6.098 19.292 ( -0.000 -3.724 0.000) 3.724 ======================= Grid point 61 (52/148) ======================= q-point: ( 0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -8.947 -5.008 -0.000) 10.253 2.679 ( -8.175 -6.522 -0.000) 10.457 3.051 ( 2.399 2.887 0.000) 3.753 3.109 ( -4.459 7.143 0.000) 8.420 3.748 ( 4.871 -7.689 -0.000) 9.102 3.856 ( -2.068 -1.085 -0.000) 2.335 3.987 ( -1.842 -5.983 -0.000) 6.260 4.124 ( 7.122 -3.472 -0.000) 7.923 4.833 ( -17.245 -14.260 -0.000) 22.377 5.004 ( -1.753 -16.519 -0.000) 16.612 5.063 ( -3.313 -1.624 -0.000) 3.690 5.931 ( -0.360 21.573 0.000) 21.576 7.519 ( -42.863 -0.552 0.000) 42.866 7.645 ( 41.126 4.487 0.000) 41.370 8.491 ( -4.867 -1.092 -0.000) 4.988 8.747 ( 12.468 9.978 0.000) 15.969 9.269 ( -4.238 3.304 0.000) 5.374 9.276 ( 3.177 3.233 0.000) 4.532 9.455 ( -8.853 1.009 0.000) 8.911 9.495 ( 13.185 2.414 0.000) 13.404 10.055 ( 16.290 -3.877 -0.000) 16.745 10.081 ( -18.500 -1.991 -0.000) 18.607 10.439 ( -6.355 -4.940 -0.000) 8.049 10.768 ( 0.742 9.983 0.000) 10.010 11.603 ( -4.631 -23.501 -0.000) 23.953 11.627 ( 4.158 -2.306 -0.000) 4.755 11.641 ( -5.661 -5.744 -0.000) 8.065 12.385 ( -2.088 -15.893 -0.000) 16.030 12.446 ( 5.485 15.981 0.000) 16.896 13.013 ( 3.461 14.078 0.000) 14.497 13.695 ( 4.941 -8.792 -0.000) 10.085 13.890 ( -2.616 -2.751 -0.000) 3.796 13.987 ( -1.075 -5.963 -0.000) 6.059 14.015 ( -12.653 -1.203 -0.000) 12.710 15.554 ( 1.557 0.021 -0.000) 1.557 15.664 ( 0.923 1.733 0.000) 1.963 15.861 ( 1.863 5.768 0.000) 6.061 15.879 ( -1.943 2.363 0.000) 3.059 17.822 ( -10.395 -11.398 -0.000) 15.426 18.218 ( 4.688 9.452 0.000) 10.551 18.682 ( 1.481 -7.826 -0.000) 7.965 19.012 ( 1.469 8.039 0.000) 8.172 ======================= Grid point 62 (53/148) ======================= q-point: ( 0.06 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -15.194 -19.349 -0.000) 24.602 2.194 ( -19.914 -11.435 -0.000) 22.963 3.129 ( -0.835 1.549 0.000) 1.760 3.153 ( -4.914 6.541 0.000) 8.181 3.651 ( 5.391 -7.686 -0.000) 9.388 3.746 ( -10.877 -16.221 -0.000) 19.530 3.887 ( -14.609 -3.546 -0.000) 15.033 4.024 ( 8.188 -1.785 -0.000) 8.381 4.173 ( 0.277 -21.050 -0.000) 21.052 4.778 ( -9.929 -11.158 -0.000) 14.936 4.781 ( -2.810 -2.628 -0.000) 3.848 6.232 ( -3.601 13.573 0.000) 14.043 6.635 ( -46.605 3.732 0.000) 46.754 8.358 ( 3.471 2.471 0.000) 4.260 8.423 ( 13.227 1.991 0.000) 13.376 9.048 ( -21.878 5.480 0.000) 22.554 9.277 ( 11.076 10.035 0.000) 14.946 9.340 ( 0.396 2.515 0.000) 2.546 9.490 ( 4.322 4.634 0.000) 6.337 9.706 ( -9.551 -2.275 -0.000) 9.818 9.901 ( 15.237 1.053 0.000) 15.273 10.177 ( 0.835 -2.576 -0.000) 2.708 10.349 ( 12.186 -2.679 -0.000) 12.477 10.837 ( -8.070 -1.250 -0.000) 8.166 11.044 ( -1.000 -18.482 -0.000) 18.509 11.434 ( -4.823 -6.452 -0.000) 8.056 11.657 ( 5.190 -2.978 -0.000) 5.984 12.084 ( 0.074 -11.861 -0.000) 11.861 12.773 ( 0.243 9.785 0.000) 9.788 13.271 ( 0.973 5.600 0.000) 5.684 13.515 ( -4.520 -9.321 -0.000) 10.359 13.656 ( -5.243 -6.020 -0.000) 7.983 13.742 ( -1.097 -14.269 -0.000) 14.311 13.810 ( -10.101 2.613 0.000) 10.433 15.639 ( 3.649 1.883 0.000) 4.106 15.694 ( 1.833 -1.037 -0.000) 2.106 15.893 ( -1.356 2.421 0.000) 2.775 16.035 ( -3.064 10.912 0.000) 11.334 17.279 ( -13.833 -16.970 -0.000) 21.894 18.460 ( 1.623 9.230 0.000) 9.372 18.653 ( 5.275 -3.074 -0.000) 6.106 19.172 ( 0.724 5.380 0.000) 5.429 ======================= Grid point 63 (54/148) ======================= q-point: ( 0.56 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -11.636 11.787 7.317) 18.107 2.712 ( -6.380 15.539 11.581) 20.403 2.932 ( 2.565 1.509 -0.477) 3.014 3.265 ( 6.192 4.807 -5.627) 9.649 3.422 ( 0.402 8.058 -0.549) 8.087 3.755 ( 2.580 4.173 0.097) 4.907 3.908 ( -2.807 3.032 2.203) 4.682 4.244 ( -0.337 8.872 -0.449) 8.890 4.375 ( 3.228 -1.225 9.865) 10.452 4.676 ( -5.634 3.308 9.887) 11.851 5.145 ( 7.578 3.745 -1.382) 8.565 6.606 ( -20.545 -9.054 -0.723) 22.463 6.654 ( -30.327 -8.974 5.722) 32.140 8.230 ( 16.979 -2.379 -3.423) 17.483 8.470 ( -2.179 -0.194 2.972) 3.690 8.862 ( 2.145 -6.621 -6.540) 9.550 9.204 ( -19.390 -1.737 -2.002) 19.570 9.295 ( -3.487 -0.256 -5.970) 6.918 9.443 ( 1.172 3.253 4.086) 5.353 9.860 ( 5.540 -6.570 4.350) 9.632 10.042 ( 7.312 -0.529 4.983) 8.864 10.205 ( 14.074 -3.325 -5.438) 15.450 10.377 ( 3.359 7.631 3.512) 9.047 10.623 ( 4.470 -3.246 -1.164) 5.645 11.385 ( -3.925 13.509 0.790) 14.089 11.473 ( -0.096 11.949 9.617) 15.339 11.665 ( -1.256 3.430 -2.649) 4.512 11.839 ( 0.619 10.133 -3.044) 10.598 12.825 ( -3.061 -8.505 -0.721) 9.068 13.086 ( 0.586 -9.899 -2.659) 10.267 13.478 ( -2.347 2.783 2.282) 4.297 13.677 ( -3.696 3.045 0.279) 4.797 13.732 ( -7.091 2.814 2.691) 8.090 14.011 ( 7.131 10.824 4.731) 13.799 15.662 ( -0.082 -1.989 -1.919) 2.765 15.699 ( 0.763 -1.664 -0.518) 1.902 15.960 ( -3.119 -5.625 1.353) 6.573 16.121 ( 3.041 -6.996 -0.033) 7.628 17.434 ( -11.398 13.302 6.520) 18.691 18.308 ( 11.104 8.581 -2.796) 14.310 18.731 ( -3.084 -8.362 -1.413) 9.024 19.195 ( 0.626 -5.962 -0.271) 6.001 ======================= Grid point 64 (55/148) ======================= q-point: ( 0.56 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -10.175 16.123 7.603) 20.525 2.626 ( -15.974 3.108 9.668) 18.929 2.911 ( -5.499 -3.204 -2.327) 6.776 3.109 ( -7.984 -16.062 1.234) 17.979 3.479 ( 1.897 2.090 -0.904) 2.964 3.934 ( -0.347 9.460 -1.829) 9.641 4.170 ( 8.638 6.423 2.300) 11.007 4.379 ( 1.557 4.417 7.426) 8.780 4.543 ( 4.101 10.528 -1.783) 11.439 4.859 ( 10.804 6.719 10.769) 16.669 5.380 ( 0.709 11.139 1.996) 11.339 5.694 ( -40.105 -0.595 1.956) 40.158 6.197 ( -2.760 -20.154 1.110) 20.372 8.189 ( -8.208 1.001 0.285) 8.274 8.333 ( -11.990 -4.698 -4.295) 13.575 8.708 ( -15.014 -1.951 -1.998) 15.271 9.074 ( 12.948 -1.496 -0.193) 13.036 9.209 ( -2.773 -1.215 -3.029) 4.282 9.554 ( 3.516 0.797 -1.329) 3.843 9.709 ( -1.638 -6.162 8.417) 10.560 10.149 ( 2.071 -1.908 -2.069) 3.494 10.493 ( 16.760 -0.419 -2.949) 17.022 10.639 ( 9.478 6.009 2.292) 11.454 10.761 ( 11.131 -0.717 1.689) 11.282 11.392 ( -6.539 1.214 0.884) 6.709 11.684 ( -3.240 10.910 5.586) 12.678 11.847 ( -2.461 13.746 6.676) 15.478 11.950 ( -2.853 4.828 -7.930) 9.712 12.632 ( -3.182 -3.954 2.333) 5.586 12.860 ( 3.820 -15.870 -6.435) 17.546 13.470 ( -4.699 2.860 1.001) 5.591 13.586 ( -6.226 -0.769 1.085) 6.366 13.601 ( -9.421 1.503 3.780) 10.262 14.386 ( 7.438 8.910 2.913) 11.967 15.613 ( -0.987 -1.500 -1.447) 2.307 15.698 ( 1.445 -0.764 -0.580) 1.734 15.836 ( -0.176 -2.873 0.110) 2.880 16.064 ( 2.160 -3.618 1.969) 4.651 17.517 ( -8.147 14.010 4.548) 16.832 18.329 ( -2.950 -11.826 -1.538) 12.285 18.797 ( 6.978 8.844 -0.699) 11.287 19.107 ( 2.472 -6.017 -0.971) 6.577 ======================= Grid point 65 (56/148) ======================= q-point: ( 0.06 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -17.743 -29.469 -0.000) 34.398 1.472 ( -27.319 -12.865 -0.000) 30.197 2.475 ( -45.264 -17.250 -0.000) 48.439 3.192 ( -1.667 4.264 0.000) 4.578 3.316 ( -5.823 2.173 0.000) 6.215 3.690 ( 5.432 -0.994 -0.000) 5.522 3.812 ( 3.324 -9.345 -0.000) 9.918 3.887 ( 4.610 -6.968 -0.000) 8.355 4.148 ( 9.218 -4.033 -0.000) 10.062 4.356 ( -9.652 -8.501 -0.000) 12.862 4.698 ( -5.371 0.447 0.000) 5.389 5.866 ( -39.492 7.372 0.000) 40.174 6.330 ( -5.547 5.997 0.000) 8.169 8.192 ( -10.129 -0.778 -0.000) 10.159 8.496 ( -30.443 -1.246 0.000) 30.468 8.705 ( 2.870 0.059 -0.000) 2.871 9.473 ( 7.076 3.501 0.000) 7.895 9.500 ( -4.037 0.322 0.000) 4.050 9.656 ( 6.199 10.018 0.000) 11.781 9.831 ( -5.777 -4.216 -0.000) 7.152 9.888 ( 12.493 6.418 0.000) 14.045 10.441 ( -3.171 -16.085 -0.000) 16.394 10.442 ( 12.542 0.950 0.000) 12.578 10.581 ( 14.556 -1.572 -0.000) 14.640 10.855 ( -9.342 1.879 0.000) 9.529 11.234 ( -0.499 -8.396 -0.000) 8.411 11.776 ( 11.040 -0.492 -0.000) 11.051 11.936 ( 2.009 -5.573 -0.000) 5.924 12.802 ( -9.339 3.442 0.000) 9.953 13.207 ( -9.274 -6.087 -0.000) 11.093 13.232 ( -2.346 -3.932 -0.000) 4.579 13.428 ( 2.234 -19.240 -0.000) 19.369 13.591 ( 0.308 1.575 0.000) 1.604 13.736 ( -4.579 4.326 0.000) 6.300 15.708 ( 1.662 -0.919 -0.000) 1.899 15.736 ( 2.931 0.877 0.000) 3.060 15.918 ( -0.850 2.329 0.000) 2.479 16.068 ( -15.927 8.607 0.000) 18.104 16.746 ( -3.441 -14.551 -0.000) 14.952 18.653 ( -0.431 9.244 0.000) 9.254 18.727 ( 4.771 -0.521 -0.000) 4.800 19.247 ( -0.662 2.371 0.000) 2.462 ======================= Grid point 66 (57/148) ======================= q-point: ( 0.06 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -24.006 0.000 -0.000) 24.006 0.680 ( -33.630 0.000 -0.000) 33.630 1.209 ( -58.849 0.000 -0.000) 58.849 3.218 ( -0.767 0.000 -0.000) 0.767 3.226 ( -4.085 0.000 -0.000) 4.085 3.719 ( 2.035 -0.000 0.000) 2.035 3.774 ( 3.417 -0.000 0.000) 3.417 4.004 ( 6.247 -0.000 0.000) 6.247 4.126 ( -4.007 0.000 -0.000) 4.007 4.261 ( 5.499 -0.000 0.000) 5.499 4.557 ( -8.542 0.000 -0.000) 8.542 5.396 ( -18.657 0.000 -0.000) 18.657 6.275 ( -4.625 0.000 -0.000) 4.625 7.954 ( -19.309 0.000 -0.000) 19.309 8.002 ( -6.745 0.000 -0.000) 6.745 8.660 ( -3.394 0.000 -0.000) 3.394 9.432 ( -2.716 0.000 -0.000) 2.716 9.669 ( -4.287 0.000 -0.000) 4.287 9.670 ( 5.550 -0.000 0.000) 5.550 9.966 ( 6.827 -0.000 0.000) 6.827 10.094 ( 2.759 -0.000 0.000) 2.759 10.280 ( 3.112 -0.000 0.000) 3.112 10.609 ( 5.278 -0.000 0.000) 5.278 10.764 ( -5.067 0.000 -0.000) 5.067 10.807 ( 8.450 -0.000 0.000) 8.450 11.068 ( -0.838 0.000 -0.000) 0.838 11.926 ( 1.593 -0.000 0.000) 1.593 12.045 ( 13.865 -0.000 0.000) 13.865 12.619 ( -10.894 0.000 -0.000) 10.894 12.971 ( -6.663 0.000 -0.000) 6.663 13.095 ( -4.091 0.000 -0.000) 4.091 13.151 ( -1.208 0.000 -0.000) 1.208 13.626 ( 0.791 -0.000 0.000) 0.791 13.727 ( -1.669 0.000 -0.000) 1.669 15.726 ( 0.824 -0.000 0.000) 0.824 15.778 ( -15.051 0.000 -0.000) 15.051 15.788 ( 1.541 -0.000 0.000) 1.541 15.947 ( 0.205 -0.000 0.000) 0.205 16.626 ( 1.929 -0.000 0.000) 1.929 18.789 ( 0.859 -0.000 0.000) 0.859 18.798 ( 2.476 -0.000 0.000) 2.476 19.253 ( -0.812 0.000 -0.000) 0.812 ======================= Grid point 67 (58/148) ======================= q-point: (-0.44 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -6.153 -0.000 0.000) 6.153 2.359 ( -13.119 -0.000 -0.000) 13.119 2.596 ( -8.222 0.000 0.000) 8.222 2.816 ( -5.207 0.000 0.000) 5.207 3.527 ( 1.429 0.000 0.000) 1.429 3.992 ( -1.390 0.000 0.000) 1.390 4.241 ( -4.266 -0.000 0.000) 4.266 4.550 ( 5.404 0.000 0.000) 5.404 4.868 ( 11.078 -0.000 0.000) 11.078 5.009 ( -12.215 0.000 0.000) 12.215 5.220 ( 1.460 -0.000 0.000) 1.460 5.481 ( -7.424 0.000 0.000) 7.424 5.914 ( 1.774 0.000 0.000) 1.774 8.023 ( -12.147 0.000 0.000) 12.147 8.032 ( -8.218 -0.000 -0.000) 8.218 8.434 ( -5.705 0.000 0.000) 5.705 9.129 ( -2.560 0.000 0.000) 2.560 9.294 ( 6.280 -0.000 0.000) 6.280 9.561 ( -0.178 0.000 0.000) 0.178 9.673 ( 1.615 -0.000 0.000) 1.615 10.124 ( -0.693 0.000 0.000) 0.693 10.698 ( 5.604 0.000 0.000) 5.604 10.864 ( 3.869 0.000 0.000) 3.869 11.118 ( 22.942 0.000 0.000) 22.942 11.288 ( -4.084 0.000 0.000) 4.084 11.705 ( -6.904 0.000 0.000) 6.904 11.910 ( 3.310 0.000 0.000) 3.310 11.940 ( -11.446 0.000 0.000) 11.446 12.582 ( -3.606 0.000 0.000) 3.606 12.711 ( 4.697 0.000 0.000) 4.697 13.391 ( -4.916 0.000 0.000) 4.916 13.457 ( -5.378 0.000 0.000) 5.378 13.476 ( -3.316 0.000 -0.000) 3.316 14.581 ( 3.240 0.000 0.000) 3.240 15.581 ( -0.732 0.000 0.000) 0.732 15.714 ( 0.660 0.000 0.000) 0.660 15.826 ( 0.984 0.000 0.000) 0.984 16.065 ( 1.259 0.000 0.000) 1.259 17.563 ( -4.250 0.000 0.000) 4.250 18.116 ( -2.321 -0.000 0.000) 2.321 19.034 ( 1.394 0.000 0.000) 1.394 19.074 ( 5.205 0.000 0.000) 5.205 ======================= Grid point 69 (59/148) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 0.000 17.796 5.370) 18.589 2.301 ( -0.000 16.541 -7.488) 18.157 2.577 ( -0.000 -7.931 -6.000) 9.945 2.894 ( -0.000 -0.972 -13.139) 13.175 3.614 ( -0.000 0.261 -6.940) 6.945 3.987 ( -0.000 -0.369 -0.528) 0.644 4.205 ( -0.000 0.082 -4.140) 4.141 4.484 ( 0.000 5.983 11.218) 12.713 4.858 ( 0.000 1.093 0.523) 1.212 5.078 ( -0.000 -3.672 -1.916) 4.142 5.178 ( 0.000 18.969 6.295) 19.986 5.319 ( 0.000 7.146 5.965) 9.308 5.856 ( 0.000 -1.491 7.960) 8.098 7.889 ( -0.000 -0.259 -0.301) 0.397 7.972 ( -0.000 -1.002 -2.763) 2.939 8.487 ( -0.000 -8.606 -10.290) 13.414 9.095 ( -0.000 -3.693 0.548) 3.733 9.325 ( 0.000 7.030 2.386) 7.424 9.550 ( 0.000 0.652 4.654) 4.699 9.697 ( -0.000 2.137 -4.070) 4.597 10.136 ( -0.000 -3.418 -1.905) 3.912 10.685 ( 0.000 4.484 7.866) 9.054 10.879 ( 0.000 -1.688 2.264) 2.824 11.229 ( 0.000 4.260 11.557) 12.317 11.249 ( 0.000 1.650 -0.304) 1.678 11.801 ( -0.000 6.926 -5.724) 8.985 11.846 ( -0.000 1.256 -10.159) 10.236 11.999 ( -0.000 -8.504 -7.358) 11.245 12.456 ( 0.000 10.185 6.891) 12.297 12.808 ( -0.000 -12.123 -3.492) 12.616 13.277 ( 0.000 -0.228 5.738) 5.743 13.436 ( -0.000 4.419 -2.814) 5.239 13.519 ( -0.000 2.919 -7.529) 8.075 14.623 ( -0.000 2.067 -1.127) 2.354 15.580 ( -0.000 -0.453 -0.718) 0.849 15.707 ( 0.000 -0.439 1.309) 1.381 15.802 ( 0.000 0.129 3.124) 3.127 16.050 ( 0.000 1.988 3.246) 3.806 17.543 ( -0.000 6.077 -2.170) 6.452 18.118 ( -0.000 -2.622 -2.783) 3.824 19.023 ( 0.000 2.574 3.130) 4.053 19.098 ( 0.000 -4.708 2.504) 5.332 ======================= Grid point 70 (60/148) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.000 -0.000 -32.880) 32.880 0.661 ( -0.000 -0.000 -34.538) 34.538 1.048 ( -0.000 -0.000 -55.015) 55.015 3.260 ( -0.000 -0.000 -5.157) 5.157 3.268 ( -0.000 -0.000 -8.154) 8.154 3.656 ( 0.000 0.000 5.672) 5.672 3.863 ( -0.000 -0.000 -2.712) 2.712 3.964 ( 0.000 0.000 9.893) 9.893 4.221 ( 0.000 0.000 7.916) 7.916 4.327 ( -0.000 -0.000 -6.907) 6.907 4.543 ( -0.000 -0.000 -8.163) 8.163 4.823 ( -0.000 -0.000 -6.407) 6.407 6.375 ( -0.000 -0.000 -8.686) 8.686 7.742 ( 0.000 0.000 1.131) 1.131 7.934 ( -0.000 -0.000 -0.078) 0.078 8.694 ( -0.000 -0.000 -7.524) 7.524 9.498 ( -0.000 -0.000 -9.118) 9.118 9.589 ( 0.000 0.000 3.941) 3.941 9.717 ( -0.000 -0.000 -9.368) 9.368 9.800 ( 0.000 0.000 3.919) 3.919 10.113 ( -0.000 -0.000 -0.081) 0.081 10.250 ( 0.000 0.000 7.141) 7.141 10.533 ( 0.000 0.000 0.787) 0.787 10.709 ( -0.000 -0.000 -4.956) 4.956 11.099 ( -0.000 -0.000 -3.964) 3.964 11.288 ( 0.000 0.000 1.141) 1.141 11.923 ( 0.000 0.000 1.913) 1.913 11.963 ( 0.000 0.000 7.023) 7.023 12.266 ( -0.000 -0.000 -3.182) 3.182 12.939 ( -0.000 -0.000 -4.310) 4.310 13.200 ( -0.000 -0.000 -6.455) 6.455 13.457 ( 0.000 0.000 1.355) 1.355 13.688 ( 0.000 0.000 2.468) 2.468 13.724 ( -0.000 -0.000 -1.521) 1.521 15.601 ( 0.000 0.000 1.437) 1.437 15.772 ( -0.000 -0.000 -0.939) 0.939 15.890 ( -0.000 -0.000 -8.990) 8.990 15.952 ( -0.000 -0.000 -0.296) 0.296 16.638 ( 0.000 0.000 0.939) 0.939 18.751 ( 0.000 0.000 2.142) 2.142 18.887 ( 0.000 0.000 1.400) 1.400 19.257 ( -0.000 -0.000 -1.169) 1.169 ======================= Grid point 72 (61/148) ======================= q-point: (-0.58 -0.08 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 1.921 -6.628 -16.267) 17.671 2.531 ( 6.977 7.915 -8.381) 13.475 2.748 ( 10.434 10.697 -2.433) 15.140 3.055 ( 3.048 11.563 -6.786) 13.749 3.583 ( -3.034 -0.806 -5.587) 6.408 3.947 ( -1.058 -3.333 -1.500) 3.805 4.288 ( 3.590 -2.266 -3.120) 5.268 4.386 ( -2.551 -8.742 8.115) 12.198 4.688 ( -4.642 -13.344 -6.584) 15.587 5.084 ( 13.344 -1.933 -3.681) 13.977 5.300 ( -1.816 -0.048 -3.335) 3.798 5.429 ( -1.648 0.693 -1.675) 2.450 6.094 ( 2.747 20.250 5.578) 21.183 8.003 ( 12.888 -1.897 0.110) 13.027 8.027 ( 8.342 -1.751 -1.242) 8.614 8.488 ( 3.502 4.528 -0.671) 5.764 9.055 ( 1.814 -3.086 4.663) 5.879 9.346 ( -8.928 3.550 -0.375) 9.615 9.537 ( -0.294 -0.237 6.035) 6.047 9.844 ( 1.088 10.447 -10.281) 14.698 10.123 ( 1.774 0.515 -0.133) 1.852 10.694 ( -8.326 1.654 3.026) 9.012 10.751 ( -2.797 -7.868 1.652) 8.512 11.092 ( -17.269 4.789 6.925) 19.212 11.314 ( 3.864 0.620 -2.010) 4.400 11.710 ( 1.109 -9.488 -8.181) 12.577 11.827 ( -0.874 -3.106 2.753) 4.241 11.963 ( 6.507 -11.269 -14.340) 19.364 12.588 ( 3.521 -0.399 -1.494) 3.846 12.811 ( -2.251 14.497 6.314) 15.972 13.296 ( 5.269 -2.870 8.285) 10.230 13.552 ( 4.591 2.207 -6.206) 8.029 13.632 ( 2.777 4.521 -11.391) 12.566 14.553 ( -3.770 -5.499 -3.240) 7.413 15.577 ( 0.988 -0.431 0.029) 1.079 15.698 ( -0.933 0.073 1.708) 1.947 15.822 ( -0.329 2.928 1.983) 3.552 16.097 ( -1.005 3.707 2.603) 4.640 17.528 ( 3.572 -9.262 -9.514) 13.750 18.232 ( 2.034 10.042 2.463) 10.538 18.901 ( -4.496 -8.607 1.360) 9.805 19.093 ( -1.097 4.169 4.589) 6.297 ======================= Grid point 73 (62/148) ======================= q-point: (-0.58 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 3.647 -5.101 -19.993) 20.954 2.756 ( 7.850 -3.826 -9.407) 12.835 3.030 ( 0.824 3.943 -6.950) 8.033 3.261 ( -3.672 -0.847 7.059) 8.002 3.481 ( -1.958 -0.839 -5.895) 6.268 3.830 ( -3.997 -0.763 -3.971) 5.686 4.034 ( -6.727 -11.372 -1.835) 13.340 4.151 ( -0.032 -8.409 5.815) 10.224 4.590 ( 7.119 -6.429 -13.233) 16.344 4.922 ( -8.478 -5.697 -5.981) 11.836 5.321 ( -9.126 0.970 -4.863) 10.387 5.797 ( 38.976 2.071 -5.545) 39.423 6.561 ( 4.014 17.739 2.724) 18.390 8.194 ( 10.556 -0.308 -1.465) 10.662 8.319 ( 16.308 1.383 2.664) 16.582 8.688 ( 5.124 0.374 3.992) 6.507 9.029 ( -0.533 2.980 9.115) 9.605 9.222 ( -7.362 2.933 -0.962) 7.983 9.520 ( -0.742 -0.505 -0.333) 0.957 10.016 ( -7.013 7.895 3.261) 11.052 10.230 ( 2.702 4.724 -11.913) 13.097 10.397 ( -18.129 1.535 6.013) 19.162 10.498 ( -3.363 -10.098 -0.522) 10.656 10.878 ( -12.722 3.851 -6.272) 14.698 11.365 ( 0.780 -6.116 -2.379) 6.609 11.537 ( 2.336 -6.564 2.538) 7.415 11.677 ( -2.118 -10.857 -4.513) 11.947 11.827 ( 2.725 -8.770 -6.382) 11.184 12.705 ( 3.605 4.563 3.659) 6.871 13.048 ( 0.981 9.465 1.621) 9.653 13.378 ( 6.084 -1.442 5.427) 8.279 13.669 ( 5.611 -2.275 -5.748) 8.349 13.752 ( 1.343 3.070 -11.261) 11.749 14.274 ( -7.523 -9.753 -6.322) 13.845 15.608 ( 1.150 1.086 1.690) 2.315 15.678 ( -0.720 0.188 2.459) 2.569 15.925 ( 1.920 5.911 -0.224) 6.219 16.147 ( -2.409 4.616 4.013) 6.574 17.427 ( 7.570 -10.551 -13.706) 18.881 18.432 ( -4.321 1.004 5.335) 6.939 18.638 ( -1.491 -1.332 2.254) 3.012 19.176 ( 0.137 5.009 2.654) 5.670 ======================= Grid point 74 (63/148) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 19.455 21.054 5.165) 29.128 1.939 ( 19.227 17.092 -10.564) 27.810 3.060 ( -0.835 -0.178 1.244) 1.509 3.135 ( 15.082 13.374 -12.577) 23.759 3.395 ( 14.412 7.881 -5.794) 17.418 3.715 ( -6.998 5.311 4.801) 10.012 3.801 ( -1.914 5.816 2.884) 6.768 4.203 ( -6.893 2.448 -0.829) 7.362 4.266 ( -4.905 21.265 0.058) 21.823 4.478 ( 4.322 5.051 4.103) 7.812 4.905 ( 5.936 7.189 -13.723) 16.590 5.726 ( 40.644 -3.920 1.285) 40.852 6.243 ( 4.198 -12.115 -8.440) 15.350 8.200 ( 9.054 0.529 0.576) 9.087 8.507 ( 27.445 0.101 0.923) 27.461 8.728 ( -9.061 0.958 -1.767) 9.282 9.315 ( -1.510 -9.066 5.916) 10.931 9.430 ( -2.266 -7.567 2.337) 8.237 9.525 ( 2.271 -1.675 -2.890) 4.039 9.698 ( -9.053 -6.570 2.944) 11.566 10.028 ( -0.049 7.414 -7.097) 10.263 10.415 ( -14.507 -1.277 -0.500) 14.572 10.616 ( -9.999 4.193 0.764) 10.869 10.673 ( 4.146 -1.381 -1.567) 4.642 11.009 ( 4.357 19.914 -2.678) 20.560 11.353 ( 2.353 4.607 0.404) 5.189 11.768 ( -5.881 1.586 2.342) 6.526 12.060 ( -0.963 8.769 2.849) 9.270 12.701 ( 7.898 -6.400 0.038) 10.165 13.245 ( 1.601 -2.706 2.189) 3.831 13.356 ( 5.494 7.907 0.569) 9.645 13.524 ( 4.660 0.776 2.541) 5.364 13.627 ( 6.082 -3.406 0.991) 7.041 13.931 ( -9.176 18.533 -6.199) 21.589 15.700 ( -2.294 -0.585 -0.046) 2.368 15.730 ( 0.308 -1.608 0.930) 1.883 15.868 ( 1.941 -3.659 -0.915) 4.242 15.968 ( 5.525 -5.963 -5.447) 9.785 17.081 ( 7.137 17.648 -1.236) 19.076 18.495 ( -0.957 -7.589 -2.234) 7.969 18.735 ( -3.145 0.781 0.938) 3.373 19.193 ( -0.805 -3.913 -0.726) 4.060 ======================= Grid point 75 (64/148) ======================= q-point: (-0.08 -0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 11.851 15.740 2.438) 19.853 2.540 ( 13.293 9.512 -6.861) 17.727 3.043 ( 0.304 -0.835 -0.921) 1.279 3.142 ( 1.701 -6.740 -3.848) 7.945 3.694 ( 0.459 3.752 7.936) 8.790 3.881 ( -0.810 3.853 -3.029) 4.968 4.004 ( -4.886 3.788 2.565) 6.693 4.273 ( -2.881 8.975 -6.113) 11.235 4.468 ( 8.691 13.342 9.144) 18.362 4.786 ( 3.790 14.850 6.095) 16.494 5.160 ( 1.184 12.148 -8.844) 15.073 5.994 ( 2.534 -19.462 -8.192) 21.268 6.596 ( 47.354 0.331 0.164) 47.355 8.319 ( -18.838 -3.138 -1.310) 19.142 8.372 ( -0.094 0.213 2.672) 2.682 8.877 ( 0.523 -10.555 2.463) 10.851 9.120 ( 10.310 -3.884 -1.808) 11.165 9.320 ( 1.185 -2.202 -2.452) 3.502 9.418 ( -2.457 -2.229 -1.570) 3.670 9.708 ( 6.890 2.401 4.661) 8.658 9.904 ( -16.375 -2.377 -4.387) 17.118 10.304 ( 1.175 6.358 -0.666) 6.499 10.397 ( -12.645 2.166 0.081) 12.829 10.698 ( 2.019 -5.889 3.208) 7.003 11.520 ( 6.096 2.739 0.325) 6.691 11.545 ( 3.237 22.488 -2.348) 22.841 11.738 ( -3.356 4.948 -2.022) 6.311 12.292 ( 2.468 13.167 4.913) 14.269 12.554 ( -2.170 -13.738 -2.132) 14.071 13.028 ( -2.290 -14.420 4.154) 15.180 13.633 ( 4.176 8.894 4.648) 10.870 13.739 ( 10.437 -2.846 1.180) 10.882 13.801 ( 8.933 6.973 0.828) 11.362 14.084 ( -7.494 12.606 -4.088) 15.225 15.619 ( -3.063 -1.022 -1.283) 3.475 15.680 ( -1.053 -2.937 0.901) 3.248 15.839 ( 2.603 -3.408 -0.395) 4.306 15.910 ( -0.680 -3.559 -2.875) 4.626 17.613 ( 10.896 15.404 -1.401) 18.920 18.307 ( -2.496 -8.240 -1.822) 8.800 18.725 ( -2.845 5.144 0.613) 5.910 19.050 ( -2.158 -7.526 -0.303) 7.836 ======================= Grid point 76 (65/148) ======================= q-point: (-0.58 -0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.893 -1.096 -15.725) 15.789 2.532 ( -6.458 -17.240 -7.097) 19.731 3.016 ( -6.381 4.434 -6.163) 9.918 3.070 ( -1.752 -6.838 -1.255) 7.170 3.307 ( -6.001 -8.329 -8.077) 13.062 3.691 ( -2.537 -2.024 1.171) 3.450 3.785 ( -1.333 -9.916 1.763) 10.160 4.237 ( 2.977 8.855 2.746) 9.737 4.524 ( -1.544 -3.324 -6.866) 7.782 4.807 ( 4.886 -3.752 -8.082) 10.162 5.098 ( -16.952 1.924 1.579) 17.133 6.660 ( 33.229 2.453 1.765) 33.366 6.936 ( 13.930 8.208 -1.312) 16.222 8.240 ( -22.020 2.288 1.186) 22.170 8.524 ( 11.019 -0.102 -3.663) 11.613 8.818 ( 11.430 2.616 6.991) 13.651 9.192 ( 2.828 -1.729 -1.113) 3.497 9.250 ( 9.990 5.410 4.377) 12.174 9.479 ( -2.686 -1.899 -5.769) 6.641 9.837 ( -9.133 0.491 7.947) 12.116 10.185 ( -9.366 -1.940 -5.448) 11.007 10.200 ( -9.835 -1.490 0.740) 9.975 10.330 ( -6.914 3.647 2.074) 8.087 10.831 ( -0.270 6.554 -12.493) 14.110 11.091 ( -6.172 -10.310 4.624) 12.875 11.443 ( -4.323 -6.321 -4.661) 8.965 11.544 ( 3.848 -3.401 0.860) 5.207 11.662 ( -0.150 -8.406 -2.234) 8.699 12.904 ( 5.438 5.155 5.336) 9.198 13.188 ( 2.372 0.948 -2.587) 3.635 13.442 ( 0.867 0.280 5.224) 5.302 13.659 ( 0.170 -3.449 -4.909) 6.002 13.808 ( -0.135 0.913 -5.651) 5.726 13.960 ( -6.752 -5.733 -9.035) 12.652 15.649 ( 0.424 1.224 2.759) 3.048 15.689 ( 1.035 0.462 2.627) 2.861 16.083 ( 1.510 3.480 1.388) 4.040 16.192 ( -0.724 5.126 2.977) 5.972 17.435 ( 7.081 -5.432 -12.486) 15.347 18.087 ( -10.939 -7.976 -0.176) 13.540 18.807 ( 4.139 5.444 6.699) 9.573 19.275 ( 0.693 3.570 1.265) 3.851 ======================= Grid point 77 (66/148) ======================= q-point: ( 0.42 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -12.553 0.000 6.850) 14.300 2.149 ( -13.906 -0.000 -9.810) 17.018 2.965 ( -2.313 -0.000 -6.019) 6.448 3.079 ( 3.362 -0.000 -6.671) 7.470 3.081 ( 2.656 -0.000 -12.293) 12.577 3.652 ( 0.233 0.000 2.565) 2.576 3.680 ( 0.871 0.000 0.437) 0.975 4.319 ( -4.469 0.000 9.314) 10.331 4.464 ( -3.945 -0.000 -7.015) 8.048 4.691 ( -21.975 0.000 11.042) 24.593 4.918 ( 7.308 0.000 1.237) 7.412 6.878 ( -2.207 0.000 9.669) 9.918 7.576 ( -32.051 0.000 -1.048) 32.068 7.709 ( 31.690 -0.000 -4.808) 32.052 8.628 ( -5.386 0.000 0.750) 5.438 9.142 ( 15.256 -0.000 -0.955) 15.286 9.197 ( 4.284 -0.000 -6.596) 7.865 9.361 ( -2.953 -0.000 -2.186) 3.674 9.632 ( 20.708 -0.000 1.370) 20.754 9.732 ( -27.869 0.000 -3.926) 28.144 9.851 ( 4.788 0.000 1.334) 4.970 10.073 ( -1.045 -0.000 -2.399) 2.616 10.280 ( -5.290 0.000 13.042) 14.074 10.810 ( -6.958 0.000 12.062) 13.925 10.945 ( -1.707 -0.000 -12.667) 12.781 11.277 ( -4.132 -0.000 -1.248) 4.317 11.551 ( 4.859 -0.000 -6.940) 8.472 11.615 ( 1.653 0.000 3.288) 3.680 13.049 ( 1.932 0.000 3.827) 4.287 13.205 ( -0.005 -0.000 -3.216) 3.216 13.436 ( -0.920 0.000 7.052) 7.112 13.569 ( -5.059 -0.000 -3.521) 6.164 13.778 ( -2.403 0.000 1.784) 2.993 13.813 ( -3.930 -0.000 -9.396) 10.184 15.676 ( 1.052 0.000 2.168) 2.410 15.720 ( 1.279 0.000 2.164) 2.514 16.084 ( -2.669 0.000 5.561) 6.168 16.318 ( 4.905 -0.000 -2.899) 5.697 17.296 ( -16.260 0.000 3.124) 16.557 17.970 ( 8.753 -0.000 -10.942) 14.012 18.930 ( 2.280 0.000 5.448) 5.906 19.321 ( 0.075 0.000 0.847) 0.850 ======================= Grid point 78 (67/148) ======================= q-point: (-0.08 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 1.322 -5.286 -2.040) 5.819 2.757 ( -1.322 5.286 -2.040) 5.819 3.052 ( 3.496 -5.389 -2.809) 7.011 3.052 ( -3.496 5.389 -2.809) 7.011 3.808 ( -3.558 -2.700 2.780) 5.262 3.808 ( 3.558 2.700 2.780) 5.262 4.109 ( -5.526 -6.031 -0.484) 8.194 4.109 ( 5.526 6.031 -0.484) 8.194 4.890 ( -4.572 -5.819 11.125) 13.362 4.890 ( 4.572 5.819 11.125) 13.362 5.566 ( -1.099 -24.404 -8.702) 25.933 5.566 ( 1.099 24.404 -8.702) 25.933 7.561 ( -42.810 -3.205 0.121) 42.930 7.561 ( 42.810 3.205 0.121) 42.930 8.556 ( -7.177 -6.433 1.590) 9.769 8.556 ( 7.177 6.433 1.590) 9.769 9.287 ( -2.225 -1.196 -4.891) 5.505 9.287 ( 2.225 1.196 -4.891) 5.505 9.492 ( -11.067 -1.702 -3.318) 11.678 9.492 ( 11.067 1.702 -3.318) 11.678 10.070 ( -16.477 -0.542 3.338) 16.820 10.070 ( 16.477 0.542 3.338) 16.820 10.546 ( -3.226 -7.296 2.801) 8.455 10.546 ( 3.226 7.296 2.801) 8.455 11.656 ( -4.472 0.314 0.174) 4.486 11.656 ( 4.472 -0.314 0.174) 4.486 12.119 ( -4.945 -20.596 -4.146) 21.583 12.119 ( 4.945 20.596 -4.146) 21.583 12.660 ( -2.858 -16.717 4.886) 17.649 12.660 ( 2.858 16.717 4.886) 17.649 13.801 ( 3.012 -5.664 3.592) 7.352 13.801 ( -3.012 5.664 3.592) 7.352 14.063 ( -8.732 0.860 -0.860) 8.816 14.063 ( 8.732 -0.860 -0.860) 8.816 15.597 ( 0.417 -3.015 -0.520) 3.088 15.597 ( -0.417 3.015 -0.520) 3.088 15.848 ( -3.056 1.386 -1.227) 3.573 15.848 ( 3.056 -1.386 -1.227) 3.573 18.046 ( -6.169 -10.561 -1.544) 12.328 18.046 ( 6.169 10.561 -1.544) 12.328 18.845 ( -0.575 -9.030 0.147) 9.050 18.845 ( 0.575 9.030 0.147) 9.050 ======================= Grid point 82 (68/148) ======================= q-point: ( 0.42 -0.08 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 388 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -16.705 18.588 3.828) 25.283 2.199 ( -16.762 13.874 16.078) 27.055 3.011 ( 1.369 -0.292 -3.039) 3.346 3.348 ( -5.792 -6.615 6.761) 11.091 3.474 ( -4.512 3.900 -2.058) 6.309 3.668 ( -3.731 12.871 5.384) 14.442 3.804 ( 4.286 13.813 3.317) 14.838 4.216 ( 2.261 2.572 1.773) 3.856 4.270 ( 2.995 18.119 -0.068) 18.366 4.509 ( 2.203 4.214 7.615) 8.977 5.132 ( -2.641 5.782 9.599) 11.513 5.707 ( -40.003 -2.806 -0.379) 40.103 6.420 ( -4.498 -13.090 9.178) 16.608 8.187 ( -10.011 0.582 -0.685) 10.052 8.468 ( -24.169 -0.544 -3.327) 24.403 8.760 ( 9.393 0.426 1.067) 9.463 9.210 ( -0.593 -9.608 -4.359) 10.568 9.355 ( -0.317 -4.703 -5.459) 7.213 9.626 ( 11.234 -3.796 -4.463) 12.670 9.637 ( -3.817 -5.267 9.306) 11.354 10.160 ( 5.034 4.140 5.446) 8.494 10.424 ( 8.516 2.321 0.704) 8.855 10.588 ( 11.641 4.839 -2.513) 12.855 10.707 ( 2.800 -1.600 2.106) 3.852 11.117 ( -4.913 19.041 9.014) 21.632 11.361 ( -2.346 4.179 1.656) 5.070 11.713 ( 1.552 2.385 -3.510) 4.519 11.973 ( 1.985 7.635 -6.014) 9.920 12.705 ( -8.416 -5.369 0.564) 9.999 13.198 ( 1.247 -6.013 -3.355) 6.998 13.358 ( -2.898 4.550 2.225) 5.835 13.515 ( -8.191 0.287 1.331) 8.304 13.603 ( -5.418 -0.990 -1.476) 5.702 14.047 ( 7.649 15.958 5.999) 18.685 15.693 ( -1.275 -2.052 -2.121) 3.215 15.716 ( 0.886 -0.910 0.450) 1.348 15.889 ( -1.424 -3.883 1.328) 4.344 16.083 ( -1.608 -6.479 5.944) 8.938 17.121 ( -8.023 17.379 3.299) 19.424 18.526 ( 4.147 -3.983 0.480) 5.771 18.711 ( 1.368 -1.030 -1.492) 2.271 19.208 ( 0.967 -4.123 0.662) 4.287 ======================= Grid point 86 (69/148) ======================= q-point: ( 0.27 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.000 23.398 8.838) 25.012 1.938 ( 0.000 29.514 -5.727) 30.065 2.855 ( -0.000 -9.238 -3.059) 9.731 3.192 ( -0.000 1.314 -9.606) 9.695 3.596 ( 0.000 24.841 3.010) 25.023 3.940 ( 0.000 7.071 -0.617) 7.098 4.000 ( 0.000 7.509 3.104) 8.125 4.305 ( -0.000 -0.312 -5.941) 5.950 4.550 ( 0.000 9.986 16.794) 19.539 4.798 ( 0.000 4.340 1.502) 4.593 4.899 ( 0.000 24.514 -3.467) 24.758 4.955 ( 0.000 9.272 10.495) 14.004 5.901 ( 0.000 -14.667 8.232) 16.819 7.880 ( 0.000 2.034 -0.555) 2.108 8.024 ( -0.000 1.288 -2.050) 2.421 9.033 ( -0.000 -16.324 -13.731) 21.331 9.039 ( 0.000 10.304 4.119) 11.097 9.254 ( -0.000 -8.162 -0.966) 8.219 9.465 ( 0.000 -2.539 5.859) 6.385 9.751 ( -0.000 0.646 -6.050) 6.084 10.284 ( -0.000 -5.445 -2.515) 5.998 10.289 ( 0.000 7.333 17.451) 18.929 10.822 ( 0.000 2.904 1.794) 3.413 11.053 ( 0.000 2.651 1.673) 3.134 11.148 ( 0.000 10.242 0.818) 10.274 11.553 ( 0.000 19.213 -1.612) 19.281 12.010 ( -0.000 -1.504 -8.804) 8.932 12.206 ( -0.000 0.090 -2.310) 2.312 12.240 ( 0.000 0.049 4.205) 4.206 13.178 ( -0.000 -15.705 -2.772) 15.947 13.220 ( 0.000 -0.762 0.837) 1.132 13.333 ( 0.000 7.035 1.024) 7.109 13.573 ( -0.000 4.021 -5.514) 6.824 14.520 ( 0.000 9.196 -1.234) 9.278 15.609 ( -0.000 0.007 -1.566) 1.566 15.699 ( 0.000 -1.748 1.687) 2.429 15.758 ( 0.000 -1.067 1.916) 2.193 15.919 ( 0.000 1.247 6.709) 6.824 17.295 ( 0.000 16.472 0.162) 16.473 18.322 ( -0.000 -7.072 -3.087) 7.717 18.875 ( 0.000 2.214 4.656) 5.155 19.163 ( -0.000 -3.872 1.051) 4.012 ======================= Grid point 87 (70/148) ======================= q-point: (-0.23 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -0.000 -3.512 -30.875) 31.074 1.284 ( -0.000 -6.016 -27.568) 28.217 2.462 ( -0.000 -34.441 -40.225) 52.955 3.277 ( -0.000 10.440 -5.147) 11.640 3.354 ( -0.000 5.351 -3.160) 6.214 3.704 ( -0.000 -3.768 -0.421) 3.791 3.801 ( 0.000 -5.539 6.774) 8.751 3.991 ( -0.000 -10.630 0.281) 10.633 4.118 ( 0.000 -4.167 6.521) 7.739 4.556 ( -0.000 -6.208 -13.813) 15.144 4.729 ( -0.000 -2.905 -6.660) 7.266 5.004 ( -0.000 -0.636 -13.176) 13.192 6.490 ( -0.000 6.545 -9.357) 11.419 7.744 ( 0.000 -2.536 1.180) 2.797 7.939 ( 0.000 -0.858 0.975) 1.299 8.918 ( -0.000 -3.185 -11.422) 11.858 9.441 ( 0.000 3.801 6.387) 7.432 9.462 ( 0.000 11.556 10.945) 15.917 9.657 ( -0.000 9.948 -13.383) 16.675 9.930 ( 0.000 4.387 1.869) 4.769 10.243 ( -0.000 -12.071 -10.417) 15.944 10.250 ( -0.000 -11.512 0.710) 11.534 10.478 ( 0.000 1.881 1.989) 2.738 10.890 ( -0.000 -4.577 -9.125) 10.209 11.112 ( -0.000 5.097 -8.103) 9.573 11.284 ( -0.000 -1.549 0.112) 1.553 11.814 ( 0.000 -0.347 9.522) 9.528 11.959 ( 0.000 -7.492 9.495) 12.095 12.339 ( -0.000 0.539 -4.902) 4.932 13.101 ( -0.000 -3.586 -7.762) 8.551 13.303 ( -0.000 1.600 -6.925) 7.107 13.487 ( 0.000 -1.481 3.185) 3.512 13.558 ( 0.000 6.235 4.741) 7.833 13.956 ( -0.000 -15.983 -2.953) 16.254 15.574 ( 0.000 -0.182 1.473) 1.484 15.775 ( -0.000 0.866 -0.260) 0.904 15.916 ( -0.000 3.660 -2.888) 4.662 16.102 ( -0.000 2.613 -11.700) 11.988 16.724 ( -0.000 -11.179 0.311) 11.184 18.700 ( 0.000 5.312 0.628) 5.349 18.772 ( 0.000 0.609 2.263) 2.344 19.269 ( -0.000 1.070 -0.807) 1.340 ======================= Grid point 88 (71/148) ======================= q-point: (-0.23 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 3.482 -0.000 -28.997) 29.205 1.354 ( 6.409 -0.000 -29.546) 30.233 2.421 ( 30.741 -0.000 -40.387) 50.755 3.190 ( -9.858 -0.000 -4.739) 10.938 3.458 ( -1.974 0.000 5.961) 6.279 3.677 ( -8.978 0.000 7.668) 11.807 3.715 ( 4.452 -0.000 -13.364) 14.086 3.892 ( 2.142 -0.000 -2.756) 3.490 4.124 ( 2.474 0.000 7.095) 7.514 4.440 ( -2.920 -0.000 -9.721) 10.150 4.835 ( 11.738 -0.000 -10.282) 15.604 5.198 ( 19.396 -0.000 -4.067) 19.818 6.595 ( 3.511 -0.000 -10.283) 10.866 7.878 ( 13.923 0.000 2.019) 14.068 8.037 ( 11.812 -0.000 -0.031) 11.812 8.864 ( -3.086 -0.000 -9.344) 9.840 9.464 ( 0.113 0.000 6.476) 6.477 9.559 ( -3.010 0.000 10.443) 10.868 9.872 ( 1.888 -0.000 -17.485) 17.587 9.943 ( -0.111 -0.000 -8.469) 8.469 9.974 ( -7.410 0.000 7.918) 10.845 10.191 ( 4.467 -0.000 -2.108) 4.939 10.531 ( 0.786 0.000 3.046) 3.146 10.793 ( -4.517 -0.000 -8.987) 10.058 11.057 ( -16.562 0.000 0.436) 16.568 11.201 ( -0.386 -0.000 -6.617) 6.629 11.759 ( -1.627 0.000 8.492) 8.647 11.845 ( -2.616 0.000 4.038) 4.812 12.539 ( 14.560 -0.000 -1.426) 14.630 13.110 ( 4.311 -0.000 -6.874) 8.114 13.369 ( -2.399 0.000 1.111) 2.644 13.381 ( 0.242 -0.000 -11.868) 11.870 13.635 ( 1.499 0.000 4.530) 4.772 13.724 ( -3.536 -0.000 -5.214) 6.300 15.648 ( 5.997 0.000 2.838) 6.635 15.761 ( -1.760 -0.000 -0.649) 1.876 15.968 ( 0.729 -0.000 -1.114) 1.331 16.211 ( 7.864 -0.000 -16.674) 18.436 16.579 ( -2.243 0.000 3.245) 3.945 18.620 ( -6.864 0.000 4.080) 7.985 18.876 ( 2.527 0.000 2.211) 3.357 19.284 ( 0.449 -0.000 -1.086) 1.175 ======================= Grid point 89 (72/148) ======================= q-point: ( 0.27 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 13.775 20.445 4.193) 25.006 2.502 ( 3.112 22.344 -8.127) 23.979 2.729 ( 3.802 -6.498 -4.591) 8.818 3.198 ( 0.139 0.600 -13.210) 13.225 3.727 ( -2.604 0.007 -6.682) 7.171 3.940 ( -0.453 -0.505 7.703) 7.733 4.284 ( -4.129 4.396 1.060) 6.123 4.413 ( 6.968 -0.178 -5.578) 8.928 4.741 ( -5.905 13.120 9.258) 17.109 5.016 ( 14.100 10.835 1.388) 17.837 5.146 ( -2.398 13.032 -0.742) 13.272 5.389 ( 10.599 4.442 1.653) 11.610 5.650 ( -0.803 -1.205 11.124) 11.218 8.054 ( 14.265 -1.468 -0.914) 14.369 8.080 ( 5.610 -0.496 -1.603) 5.856 8.726 ( -1.419 -10.632 -13.074) 16.911 9.105 ( -0.161 -7.630 2.593) 8.060 9.193 ( -4.463 6.203 2.294) 7.979 9.403 ( 2.027 -1.943 9.495) 9.901 9.830 ( -3.397 7.981 -8.744) 12.316 10.205 ( 3.270 -1.597 -2.785) 4.582 10.489 ( 2.072 6.923 10.067) 12.392 10.776 ( -7.922 -0.505 3.951) 8.867 10.902 ( -14.587 -0.483 2.867) 14.874 11.303 ( 4.430 2.421 -0.315) 5.059 11.841 ( -3.415 4.192 -5.763) 7.902 11.969 ( -1.444 4.243 -3.457) 5.661 12.301 ( 7.080 3.567 -9.548) 12.410 12.338 ( 1.928 3.726 7.521) 8.612 12.836 ( -2.357 -13.707 -1.656) 14.006 13.228 ( 8.136 -5.486 5.653) 11.325 13.540 ( 4.970 7.341 -2.437) 9.194 13.712 ( 2.605 6.861 -8.116) 10.942 14.603 ( -5.075 4.699 -1.036) 6.994 15.611 ( 0.855 -1.338 -1.619) 2.268 15.679 ( 0.255 -1.500 1.419) 2.080 15.736 ( -0.717 0.457 2.603) 2.739 15.955 ( -0.429 2.666 5.167) 5.830 17.620 ( 3.164 12.258 -1.971) 12.813 18.190 ( -0.169 -5.490 -3.243) 6.378 18.912 ( -1.241 3.502 5.372) 6.531 19.034 ( -2.823 -6.679 0.723) 7.287 ======================= Grid point 90 (73/148) ======================= q-point: ( 0.27 -0.10 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 1.430 -1.671 -10.987) 11.205 2.714 ( 8.268 9.526 -2.538) 12.866 2.977 ( 3.497 11.559 2.292) 12.292 3.236 ( 1.356 1.485 -6.207) 6.525 3.643 ( -2.624 -2.118 -6.859) 7.643 3.908 ( -1.073 -2.297 3.615) 4.415 4.119 ( -5.570 -5.019 5.230) 9.142 4.270 ( -9.816 -9.633 -0.678) 13.770 4.899 ( 7.177 1.443 -8.973) 11.581 5.074 ( -5.166 -10.596 0.069) 11.788 5.348 ( -5.944 3.254 0.006) 6.776 5.773 ( 27.120 11.754 1.571) 29.599 6.083 ( 12.056 19.079 2.646) 22.724 8.221 ( 10.004 0.406 0.504) 10.025 8.321 ( 11.049 -2.308 -4.901) 12.305 8.649 ( 8.076 -2.285 0.259) 8.397 8.887 ( -7.694 -3.699 7.822) 11.579 9.214 ( 0.822 1.377 -2.879) 3.296 9.459 ( 0.166 3.600 5.124) 6.264 9.849 ( -5.643 3.665 -0.077) 6.729 10.284 ( -23.388 -1.572 4.292) 23.831 10.366 ( 5.346 5.418 -11.727) 13.981 10.648 ( -7.316 -5.296 1.425) 9.144 10.734 ( -3.509 9.533 4.846) 11.255 11.436 ( 5.133 0.680 -0.860) 5.249 11.760 ( -2.817 -7.883 -0.681) 8.399 11.846 ( -2.039 -11.692 -3.677) 12.425 12.270 ( 1.344 -7.627 -6.834) 10.328 12.490 ( -3.085 2.184 4.728) 6.053 12.814 ( 4.430 12.607 -0.562) 13.375 13.346 ( 11.605 -4.577 4.097) 13.130 13.762 ( 5.785 2.661 -3.801) 7.416 13.886 ( 2.561 3.765 -8.387) 9.543 14.481 ( -9.008 -2.742 -1.864) 9.599 15.588 ( -1.052 -0.620 -0.145) 1.230 15.648 ( 0.058 -1.201 1.311) 1.779 15.791 ( 0.955 5.656 1.359) 5.895 15.991 ( -1.445 2.549 4.588) 5.444 17.814 ( 4.679 -2.539 -10.502) 11.775 18.181 ( 0.847 5.496 6.807) 8.790 18.776 ( -5.632 -9.456 -0.218) 11.008 19.001 ( 0.232 5.957 3.552) 6.940 ======================= Grid point 92 (74/148) ======================= q-point: (-0.23 -0.10 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 17.381 14.282 1.053) 22.521 2.471 ( 11.156 17.838 -12.791) 24.623 2.970 ( -2.787 2.526 2.750) 4.659 3.383 ( -4.519 1.601 6.075) 7.739 3.453 ( -0.018 3.229 1.178) 3.437 3.743 ( -0.591 7.992 -0.425) 8.025 3.856 ( 6.294 6.147 -2.952) 9.280 4.200 ( -2.038 9.528 -4.539) 10.749 4.256 ( 6.574 1.575 -2.912) 7.361 4.530 ( 5.253 6.646 -4.110) 9.415 5.122 ( -2.967 4.617 -4.154) 6.883 6.503 ( 5.778 -14.494 -9.374) 18.203 6.618 ( 45.975 -2.365 0.230) 46.036 8.311 ( -16.944 -2.228 4.729) 17.732 8.415 ( -0.174 -1.059 -2.703) 2.908 8.980 ( 4.536 -7.263 5.622) 10.243 9.223 ( 12.224 -3.453 0.164) 12.703 9.373 ( 2.125 -0.157 -0.224) 2.142 9.433 ( -4.559 -0.238 4.498) 6.408 9.722 ( 3.781 -6.153 -6.471) 9.697 9.993 ( -12.211 -0.057 -2.509) 12.466 10.254 ( -9.112 2.531 -1.535) 9.580 10.323 ( -8.920 5.663 0.089) 10.566 10.710 ( 0.248 -5.062 6.328) 8.107 11.219 ( 4.817 21.453 -10.932) 24.555 11.424 ( 3.779 6.427 0.190) 7.458 11.687 ( -1.309 2.161 -0.117) 2.529 11.941 ( -1.247 11.164 6.354) 12.906 12.814 ( 2.415 -9.223 -1.335) 9.627 13.167 ( -1.650 -8.352 5.108) 9.928 13.428 ( 3.681 5.867 -1.605) 7.109 13.693 ( 7.786 4.565 -1.318) 9.121 13.719 ( 6.739 0.606 3.297) 7.527 13.919 ( -4.769 12.053 -5.208) 13.969 15.671 ( -1.773 -1.296 -1.032) 2.427 15.707 ( -1.074 -1.976 0.545) 2.314 15.930 ( 2.811 -4.196 -1.632) 5.308 16.097 ( -0.670 -8.832 -2.198) 9.126 17.341 ( 13.207 15.858 -3.592) 20.948 18.367 ( -9.743 4.851 3.365) 11.392 18.729 ( 1.312 -7.301 -1.526) 7.573 19.191 ( -0.743 -5.752 -0.593) 5.830 ======================= Grid point 93 (75/148) ======================= q-point: ( 0.27 -0.10 -0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -3.851 -4.705 -11.501) 13.009 2.892 ( -8.798 -10.383 -0.069) 13.609 2.954 ( -1.095 5.717 -0.216) 5.825 3.313 ( 3.878 -1.462 -7.300) 8.395 3.551 ( -3.646 -4.448 -2.537) 6.286 3.781 ( -2.107 -6.593 -2.342) 7.307 3.924 ( -5.260 -3.058 1.111) 6.184 3.994 ( 0.359 -3.322 8.760) 9.375 4.733 ( -2.836 -9.886 -1.588) 10.407 5.010 ( 1.084 -2.635 -5.811) 6.472 5.098 ( -20.533 -0.528 -4.280) 20.981 6.386 ( 4.924 14.254 8.488) 17.305 6.851 ( 39.828 6.063 -4.062) 40.491 8.204 ( -20.536 1.155 -1.451) 20.619 8.566 ( 10.004 1.955 -1.865) 10.363 8.621 ( 2.039 4.367 5.305) 7.167 9.082 ( 20.351 2.850 3.486) 20.843 9.269 ( 2.153 1.076 -5.453) 5.961 9.561 ( 3.208 4.036 4.718) 6.989 9.712 ( -9.205 -4.337 0.101) 10.176 9.920 ( -12.378 6.238 7.720) 15.866 10.355 ( -11.498 -5.377 1.130) 12.744 10.454 ( -5.796 1.042 -9.623) 11.281 10.883 ( -0.372 10.380 -7.564) 12.849 11.267 ( -7.642 -21.245 3.992) 22.928 11.539 ( 2.960 -2.331 2.185) 4.356 11.629 ( -4.224 -6.714 -0.322) 7.939 12.045 ( -0.015 -14.624 -7.441) 16.408 12.643 ( 4.756 9.319 6.117) 12.119 13.142 ( 3.864 9.608 -2.407) 10.632 13.430 ( 5.512 -5.433 1.448) 7.874 13.810 ( 1.011 -5.265 -1.375) 5.535 13.917 ( -2.651 -0.787 -5.820) 6.443 14.195 ( -10.757 -3.704 -4.607) 12.275 15.575 ( -0.172 1.319 1.818) 2.253 15.646 ( 1.109 -0.470 1.288) 1.763 15.967 ( 0.848 4.709 1.487) 5.011 16.016 ( 0.083 6.478 3.070) 7.169 17.750 ( -2.068 -7.294 -7.491) 10.658 18.267 ( -1.808 -1.846 -1.315) 2.899 18.577 ( 1.983 -0.007 5.772) 6.104 19.145 ( 1.097 6.437 1.650) 6.734 ======================= Grid point 94 (76/148) ======================= q-point: ( 0.27 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -15.593 -17.200 4.868) 23.720 2.403 ( -21.100 -4.116 -9.977) 23.700 3.070 ( 0.327 4.829 -8.071) 9.411 3.252 ( 4.353 -8.778 -6.294) 11.645 3.421 ( 0.006 -2.770 -7.395) 7.897 3.688 ( 2.465 -5.526 0.008) 6.051 3.729 ( -1.507 -7.171 -0.191) 7.330 4.008 ( -4.802 4.865 12.862) 14.565 4.499 ( -21.047 -2.755 9.056) 23.078 4.641 ( -11.751 -1.012 -9.958) 15.437 4.906 ( -0.800 -5.092 4.542) 6.871 6.607 ( -2.621 7.362 9.600) 12.378 7.579 ( -38.309 2.311 -1.267) 38.400 7.768 ( 37.802 2.515 -3.279) 38.027 8.583 ( -6.622 2.648 0.749) 7.172 9.067 ( 18.437 7.959 -3.991) 20.474 9.355 ( 4.426 1.129 -3.930) 6.026 9.420 ( -2.394 -0.254 -2.069) 3.174 9.611 ( 18.533 -1.090 2.684) 18.758 9.695 ( -12.198 7.419 4.188) 14.878 9.849 ( -4.557 -0.708 -3.050) 5.529 10.032 ( -4.720 -0.973 7.700) 9.084 10.252 ( -5.751 -5.782 -7.738) 11.242 10.714 ( -7.454 -15.372 12.097) 20.933 11.063 ( -3.298 7.949 -8.614) 12.176 11.378 ( -5.398 -7.047 -0.919) 8.924 11.562 ( 2.546 -1.594 3.046) 4.278 11.793 ( 2.077 -10.615 -5.055) 11.939 12.910 ( 4.508 6.007 3.578) 8.319 13.296 ( 0.926 0.193 -3.151) 3.290 13.359 ( -1.807 -3.824 1.575) 4.513 13.671 ( -4.260 -4.248 -1.064) 6.110 13.759 ( -7.071 -2.550 1.648) 7.695 13.970 ( -8.144 -0.035 -6.164) 10.213 15.625 ( 1.901 1.136 1.698) 2.790 15.668 ( 1.683 -0.026 2.295) 2.846 15.974 ( -1.374 0.907 3.903) 4.236 16.256 ( 3.501 9.321 -0.770) 9.986 17.355 ( -18.874 -9.971 1.171) 21.378 18.253 ( 8.024 -2.914 -12.891) 15.461 18.730 ( 3.814 4.814 9.583) 11.382 19.265 ( 0.439 3.666 0.970) 3.817 ======================= Grid point 95 (77/148) ======================= q-point: (-0.23 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 2.840 13.129 2.322) 13.632 2.896 ( 7.940 1.406 -5.904) 9.994 2.982 ( -3.525 5.579 -1.170) 6.702 3.255 ( -0.750 -6.516 2.037) 6.868 3.636 ( 2.527 7.791 0.613) 8.214 3.824 ( -4.765 0.723 1.868) 5.169 3.960 ( 1.238 8.621 -3.784) 9.496 4.231 ( -2.199 -1.855 -3.231) 4.326 4.489 ( 9.610 7.373 12.409) 17.340 4.775 ( 2.895 -1.832 6.485) 7.334 5.270 ( -0.092 18.845 -4.775) 19.441 6.189 ( 0.627 -22.304 -7.026) 23.393 7.521 ( 33.366 1.031 -0.170) 33.382 7.606 ( -33.130 -2.431 1.566) 33.256 8.478 ( 4.140 -0.469 0.242) 4.173 8.665 ( -6.926 -8.288 2.255) 11.034 9.338 ( -3.275 2.256 -3.765) 5.477 9.442 ( -1.769 0.992 -4.708) 5.127 9.564 ( 1.098 -4.783 -6.574) 8.204 9.665 ( 8.999 -4.862 -4.131) 11.031 9.855 ( -4.987 5.984 6.411) 10.089 10.037 ( 0.123 -3.028 6.164) 6.869 10.422 ( 2.289 4.912 -1.589) 5.648 10.588 ( -0.945 -4.728 5.777) 7.525 11.577 ( -0.562 7.125 -0.412) 7.159 11.652 ( 2.114 1.977 -0.503) 2.937 11.825 ( 2.671 19.399 -7.058) 20.816 12.206 ( 0.157 15.512 8.117) 17.508 12.558 ( -1.938 -14.965 -4.610) 15.779 12.872 ( -2.197 -16.088 6.070) 17.335 13.621 ( 0.309 7.092 0.955) 7.162 13.791 ( 0.989 -0.964 4.051) 4.280 13.987 ( -4.539 6.911 -0.059) 8.269 14.028 ( 8.772 5.261 -0.339) 10.234 15.605 ( -1.469 -1.121 -1.790) 2.573 15.647 ( -0.059 -2.268 0.618) 2.351 15.906 ( -1.399 -3.998 -1.395) 4.460 15.927 ( 2.190 -4.522 -1.331) 5.198 17.827 ( 4.612 12.929 -0.280) 13.729 18.264 ( -2.292 -4.638 -1.295) 5.333 18.679 ( -0.919 4.405 -0.042) 4.500 19.028 ( -0.352 -8.803 -0.456) 8.822 ======================= Grid point 96 (78/148) ======================= q-point: (-0.23 -0.10 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -9.025 -3.088 2.272) 9.806 2.816 ( -6.377 -7.007 -6.458) 11.466 2.956 ( -7.160 5.611 -1.857) 9.285 3.147 ( -1.603 -3.562 3.316) 5.124 3.597 ( -5.817 0.687 4.331) 7.285 3.958 ( 6.768 2.830 -3.023) 7.934 4.151 ( 2.991 -6.361 -4.853) 8.542 4.212 ( 6.520 5.907 1.196) 8.879 4.610 ( 0.089 -8.890 8.604) 12.372 4.799 ( 8.175 -1.446 9.214) 12.402 5.652 ( -4.231 -4.665 -6.197) 8.836 5.762 ( 1.988 3.327 -6.866) 7.884 6.620 ( -47.848 -2.224 1.269) 47.917 8.232 ( 18.280 3.292 2.004) 18.682 8.399 ( -7.766 -3.094 -1.475) 8.489 8.670 ( 13.333 4.189 1.529) 14.059 9.150 ( -21.744 1.236 -4.661) 22.273 9.299 ( -6.907 2.688 -1.093) 7.492 9.517 ( 3.307 -2.256 -5.832) 7.074 9.674 ( -4.011 -4.190 5.184) 7.780 9.959 ( 16.836 0.577 -5.495) 17.720 10.221 ( 7.291 3.029 9.216) 12.135 10.506 ( 5.072 -3.484 -2.940) 6.820 10.602 ( 5.906 1.121 1.318) 6.155 11.538 ( -6.370 -0.111 0.345) 6.380 11.742 ( 3.844 -1.218 -0.374) 4.050 12.047 ( -8.909 -4.750 -4.331) 10.986 12.370 ( 5.749 -0.549 -6.339) 8.576 12.410 ( -6.020 0.451 8.672) 10.567 12.643 ( 4.902 5.842 6.091) 9.760 13.658 ( -6.599 2.318 1.172) 7.092 13.696 ( -4.686 -3.567 2.779) 6.512 13.862 ( -10.036 -1.711 2.125) 10.400 14.291 ( 10.358 -2.404 -1.036) 10.683 15.603 ( 0.254 1.814 0.127) 1.836 15.638 ( 2.144 -0.345 -0.687) 2.278 15.809 ( -2.439 0.408 -1.328) 2.807 15.947 ( 3.410 -1.289 -1.790) 4.061 17.884 ( -10.135 -5.154 -0.393) 11.377 18.186 ( 2.110 3.015 -1.530) 3.986 18.833 ( 2.328 0.049 0.034) 2.328 18.913 ( 3.828 1.107 -0.607) 4.031 ======================= Grid point 97 (79/148) ======================= q-point: ( 0.27 -0.10 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -20.751 0.000 10.407) 23.214 1.861 ( -27.682 -0.000 -7.023) 28.559 3.086 ( -1.341 -0.000 -10.050) 10.139 3.243 ( -9.956 0.000 7.845) 12.676 3.404 ( 4.838 -0.000 -11.130) 12.136 3.596 ( 0.250 0.000 5.520) 5.526 3.635 ( -8.799 -0.000 -10.373) 13.602 3.923 ( -7.074 0.000 15.750) 17.265 4.066 ( -5.463 0.000 7.740) 9.474 4.467 ( -7.225 -0.000 -2.222) 7.559 4.852 ( -0.941 0.000 8.785) 8.836 6.596 ( -5.615 0.000 8.927) 10.546 6.750 ( -44.046 0.000 -2.608) 44.123 8.410 ( -11.621 0.000 0.322) 11.625 8.451 ( 23.795 -0.000 -3.249) 24.016 9.144 ( -34.530 0.000 -1.995) 34.588 9.368 ( 2.220 -0.000 -1.615) 2.745 9.496 ( 9.068 -0.000 -5.291) 10.499 9.583 ( 18.692 -0.000 -4.005) 19.117 9.776 ( -7.447 0.000 8.463) 11.273 9.894 ( 3.825 0.000 1.712) 4.191 10.155 ( 5.541 -0.000 -3.073) 6.336 10.207 ( 15.109 -0.000 -1.424) 15.176 10.439 ( -2.296 0.000 11.909) 12.128 11.023 ( -7.687 -0.000 -5.900) 9.690 11.191 ( -4.263 0.000 0.858) 4.348 11.618 ( 5.199 0.000 2.555) 5.793 11.767 ( 4.601 -0.000 -4.129) 6.183 12.984 ( -3.870 0.000 1.102) 4.023 13.233 ( -3.194 -0.000 -1.683) 3.610 13.285 ( -2.405 0.000 4.732) 5.308 13.455 ( -10.212 0.000 -0.605) 10.230 13.652 ( -2.568 0.000 3.609) 4.429 13.842 ( -5.487 -0.000 -4.158) 6.885 15.671 ( 1.724 0.000 1.129) 2.061 15.715 ( 2.634 0.000 2.357) 3.534 15.965 ( -0.673 0.000 2.733) 2.814 16.468 ( 5.049 -0.000 -1.556) 5.284 16.750 ( -25.785 0.000 4.606) 26.193 18.412 ( 9.206 -0.000 -11.835) 14.994 18.849 ( 2.406 0.000 7.811) 8.173 19.299 ( -0.617 0.000 0.791) 1.004 ======================= Grid point 99 (80/148) ======================= q-point: (-0.23 -0.10 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -12.943 -21.613 0.799) 25.205 2.406 ( -18.318 -8.403 -12.020) 23.466 2.980 ( -6.069 5.987 1.596) 8.673 3.104 ( -4.636 8.991 2.356) 10.387 3.551 ( 1.128 -1.700 6.248) 6.572 3.957 ( -1.158 -9.066 -0.027) 9.140 4.097 ( 4.550 -14.218 -8.238) 17.051 4.270 ( 1.811 -4.318 2.187) 5.168 4.553 ( 10.182 -8.186 -6.817) 14.736 4.702 ( 0.981 -16.171 -1.156) 16.242 5.287 ( -3.489 -10.566 -7.696) 13.529 5.683 ( -38.031 -0.844 0.255) 38.041 6.112 ( -3.157 17.843 -7.444) 19.589 8.194 ( -8.546 -0.393 0.579) 8.574 8.421 ( -15.089 4.707 4.521) 16.440 8.740 ( -3.509 2.388 1.163) 4.401 9.067 ( 5.950 3.881 0.227) 7.107 9.264 ( -2.706 4.348 2.373) 5.644 9.566 ( -1.924 2.222 -5.253) 6.020 9.596 ( 6.056 -0.959 2.231) 6.524 10.191 ( 4.275 0.343 1.310) 4.485 10.466 ( 9.974 -0.923 -4.770) 11.095 10.617 ( 13.671 -0.184 -0.586) 13.685 10.721 ( 5.545 -2.113 -2.229) 6.339 11.380 ( -7.412 -2.847 -0.499) 7.956 11.554 ( -3.436 -17.591 -5.325) 18.698 11.809 ( 1.741 -7.274 0.194) 7.481 12.112 ( -2.436 -6.615 8.511) 11.051 12.581 ( -3.875 6.826 -2.542) 8.251 12.981 ( 3.246 14.396 5.874) 15.884 13.467 ( -4.994 -5.579 1.872) 7.718 13.534 ( -9.787 -0.212 -2.149) 10.023 13.611 ( -7.205 -2.589 1.503) 7.802 14.328 ( 8.053 -11.607 -3.348) 14.518 15.645 ( -1.348 2.566 1.920) 3.477 15.696 ( 1.891 1.021 -0.710) 2.263 15.819 ( -0.747 2.989 -1.478) 3.417 16.001 ( 1.217 1.821 -4.380) 4.897 17.455 ( -7.962 -16.094 -2.276) 18.099 18.342 ( -2.030 11.034 -0.138) 11.220 18.801 ( 5.820 -6.783 -0.301) 8.943 19.109 ( 2.703 6.021 -0.455) 6.616 ======================= Grid point 102 (81/148) ======================= q-point: ( 0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 25.185 0.000) 25.185 1.380 ( 0.000 33.719 0.000) 33.719 2.442 ( 0.000 55.860 0.000) 55.860 3.042 ( -0.000 -7.419 -0.000) 7.419 3.355 ( 0.000 6.398 0.000) 6.398 3.841 ( 0.000 0.601 0.000) 0.601 4.007 ( 0.000 0.364 0.000) 0.364 4.249 ( 0.000 6.246 0.000) 6.246 4.410 ( -0.000 -1.605 -0.000) 1.605 4.417 ( 0.000 25.310 0.000) 25.310 4.546 ( 0.000 10.694 0.000) 10.694 4.789 ( 0.000 1.752 0.000) 1.752 6.056 ( -0.000 -9.462 -0.000) 9.462 7.833 ( 0.000 3.107 0.000) 3.107 7.998 ( 0.000 2.670 0.000) 2.670 8.798 ( 0.000 8.575 0.000) 8.575 9.422 ( -0.000 -8.611 -0.000) 8.611 9.435 ( -0.000 -0.517 -0.000) 0.517 9.439 ( -0.000 -8.084 -0.000) 8.084 9.857 ( 0.000 5.922 0.000) 5.922 10.023 ( -0.000 -10.202 -0.000) 10.202 10.394 ( -0.000 -2.200 -0.000) 2.200 10.741 ( 0.000 3.376 0.000) 3.376 10.764 ( 0.000 22.255 0.000) 22.255 10.983 ( 0.000 3.472 0.000) 3.472 11.351 ( 0.000 4.214 0.000) 4.214 12.062 ( 0.000 6.930 0.000) 6.930 12.218 ( -0.000 -0.815 -0.000) 0.815 12.275 ( -0.000 -7.748 -0.000) 7.748 13.121 ( 0.000 9.509 0.000) 9.509 13.252 ( 0.000 1.920 0.000) 1.920 13.477 ( -0.000 -11.643 -0.000) 11.643 13.582 ( -0.000 -0.266 -0.000) 0.266 14.372 ( 0.000 7.808 0.000) 7.808 15.623 ( 0.000 0.297 0.000) 0.297 15.719 ( -0.000 -1.938 -0.000) 1.938 15.781 ( 0.000 2.205 0.000) 2.205 15.784 ( -0.000 -1.334 -0.000) 1.334 16.975 ( 0.000 14.939 0.000) 14.939 18.424 ( -0.000 -2.236 -0.000) 2.236 18.816 ( -0.000 -0.157 -0.000) 0.157 19.209 ( -0.000 -2.023 -0.000) 2.023 ======================= Grid point 103 (82/148) ======================= q-point: (-0.37 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -0.000 -6.493 -20.784) 21.775 1.920 ( -0.000 -6.487 -26.692) 27.469 3.031 ( 0.000 17.542 0.755) 17.559 3.203 ( 0.000 11.998 -1.646) 12.110 3.490 ( -0.000 -9.802 -6.462) 11.741 3.808 ( -0.000 -6.213 -8.173) 10.266 4.083 ( -0.000 -18.417 -15.217) 23.890 4.131 ( -0.000 -2.974 0.396) 3.000 4.243 ( 0.000 -19.248 5.655) 20.061 4.849 ( -0.000 -1.571 -1.600) 2.243 5.029 ( -0.000 -11.700 -14.175) 18.380 5.316 ( -0.000 -1.472 -14.094) 14.171 6.416 ( 0.000 13.392 -2.793) 13.680 7.793 ( -0.000 -3.706 0.347) 3.722 7.923 ( 0.000 -0.687 1.826) 1.951 8.875 ( 0.000 18.412 14.058) 23.166 9.110 ( 0.000 -0.975 2.192) 2.399 9.334 ( -0.000 0.961 -6.592) 6.661 9.727 ( 0.000 1.822 4.941) 5.266 9.751 ( -0.000 9.471 -10.625) 14.233 10.256 ( 0.000 4.983 3.998) 6.389 10.591 ( -0.000 -14.422 2.170) 14.584 10.720 ( -0.000 -5.301 -10.596) 11.848 11.159 ( -0.000 -3.478 -6.939) 7.762 11.270 ( -0.000 -4.205 -14.247) 14.854 11.409 ( -0.000 -8.379 -6.057) 10.339 11.603 ( 0.000 1.535 10.904) 11.011 11.903 ( 0.000 -4.284 8.775) 9.765 12.424 ( -0.000 0.289 -5.124) 5.133 13.266 ( 0.000 12.374 6.722) 14.082 13.333 ( -0.000 -2.238 -9.451) 9.712 13.341 ( 0.000 -2.850 5.412) 6.117 13.493 ( -0.000 4.207 -8.736) 9.696 14.330 ( -0.000 -13.207 -4.307) 13.892 15.558 ( 0.000 -0.526 0.843) 0.993 15.749 ( 0.000 1.083 0.885) 1.399 15.892 ( -0.000 2.812 -0.843) 2.935 16.178 ( -0.000 5.146 -4.805) 7.041 17.063 ( -0.000 -15.552 -6.617) 16.902 18.481 ( 0.000 11.777 2.118) 11.965 18.824 ( 0.000 -7.398 2.113) 7.694 19.229 ( 0.000 2.357 1.745) 2.933 ======================= Grid point 104 (83/148) ======================= q-point: (-0.37 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -1.117 0.526 -27.644) 27.672 2.039 ( 10.910 -9.344 -23.383) 27.443 3.188 ( -5.742 4.429 -5.940) 9.374 3.239 ( 4.686 -10.496 -14.155) 18.234 3.438 ( 1.029 1.081 0.042) 1.493 3.686 ( -3.873 -6.473 -9.045) 11.778 3.852 ( -2.381 2.595 -7.914) 8.662 3.962 ( 1.492 -8.037 2.600) 8.578 4.142 ( 7.271 -5.199 -2.944) 9.411 4.739 ( -5.946 -7.518 -13.911) 16.893 4.994 ( 18.013 -1.362 -4.398) 18.592 5.353 ( 5.223 0.907 -11.829) 12.962 6.675 ( 4.621 7.671 -5.513) 10.516 7.880 ( 13.510 -2.838 0.813) 13.829 8.024 ( 11.847 0.035 1.489) 11.940 8.981 ( -9.412 1.683 2.768) 9.954 9.235 ( 2.932 7.552 10.201) 13.027 9.352 ( -1.189 3.448 -1.021) 3.787 9.711 ( -4.765 0.866 11.698) 12.660 10.010 ( 2.687 12.056 -17.874) 21.727 10.215 ( -1.655 -7.268 -1.629) 7.630 10.427 ( -1.587 1.137 2.951) 3.538 10.551 ( 0.364 -10.400 -11.545) 15.543 11.024 ( -14.150 -0.922 -5.480) 15.202 11.063 ( -4.708 -5.783 -8.787) 11.524 11.358 ( 0.622 -1.359 -6.443) 6.614 11.604 ( -0.263 0.206 7.118) 7.126 11.790 ( -2.162 -3.902 6.499) 7.883 12.575 ( 11.065 1.318 -3.342) 11.634 13.223 ( -2.130 -2.160 2.508) 3.936 13.362 ( 4.163 -0.441 -4.289) 5.993 13.486 ( 2.799 4.002 5.130) 7.083 13.590 ( 0.305 4.582 -12.311) 13.140 14.007 ( -4.208 -13.122 -8.063) 15.966 15.598 ( 4.189 0.181 2.039) 4.662 15.750 ( -1.433 0.590 1.155) 1.932 15.962 ( 1.198 2.889 -1.330) 3.399 16.320 ( 0.592 8.737 -4.332) 9.770 16.799 ( 3.744 -14.369 -9.769) 17.775 18.590 ( -6.319 -4.103 4.226) 8.638 18.740 ( 2.629 5.848 3.475) 7.293 19.272 ( 0.270 1.960 0.678) 2.091 ======================= Grid point 105 (84/148) ======================= q-point: ( 0.13 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 21.382 20.598 0.000) 29.689 2.070 ( 5.462 28.217 0.000) 28.741 2.910 ( 2.204 -7.067 -0.000) 7.403 3.250 ( -2.043 10.968 0.000) 11.157 3.623 ( 1.761 24.396 0.000) 24.460 3.830 ( -0.493 -0.214 -0.000) 0.538 4.042 ( -1.150 15.962 0.000) 16.003 4.320 ( -3.881 2.066 0.000) 4.397 4.503 ( 8.810 -1.205 -0.000) 8.892 4.811 ( 1.897 15.357 0.000) 15.474 4.862 ( -1.095 18.194 0.000) 18.227 5.081 ( 19.856 8.375 0.000) 21.550 5.823 ( 1.348 -16.223 -0.000) 16.279 8.066 ( 17.048 0.984 0.000) 17.076 8.091 ( 4.454 1.178 0.000) 4.608 8.916 ( -7.018 6.400 0.000) 9.498 9.250 ( -1.565 -12.260 -0.000) 12.359 9.274 ( 2.573 -6.564 -0.000) 7.050 9.364 ( 2.803 -8.552 -0.000) 8.999 9.840 ( -7.575 2.378 0.000) 7.939 10.035 ( 3.438 9.464 0.000) 10.070 10.412 ( 8.434 -4.224 -0.000) 9.432 10.717 ( -10.297 1.871 0.000) 10.465 10.895 ( -11.925 0.452 0.000) 11.934 11.209 ( 6.317 9.860 0.000) 11.710 11.557 ( -1.410 20.755 0.000) 20.803 11.957 ( -7.983 -2.317 -0.000) 8.312 12.232 ( 2.215 8.717 0.000) 8.994 12.385 ( 9.911 -6.745 -0.000) 11.989 13.145 ( -2.453 -12.736 -0.000) 12.970 13.322 ( 7.428 -7.918 -0.000) 10.857 13.379 ( 5.759 9.981 0.000) 11.523 13.654 ( 1.690 6.492 0.000) 6.708 14.436 ( -9.223 11.898 0.000) 15.054 15.665 ( 2.848 -1.623 -0.000) 3.278 15.713 ( 2.831 -2.870 -0.000) 4.032 15.731 ( -1.498 -2.342 -0.000) 2.780 15.832 ( 0.163 3.098 0.000) 3.102 17.320 ( 2.740 17.177 0.000) 17.394 18.345 ( -1.235 -5.177 -0.000) 5.322 18.810 ( -0.905 1.140 0.000) 1.455 19.135 ( -1.682 -4.342 -0.000) 4.656 ======================= Grid point 106 (85/148) ======================= q-point: ( 0.13 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 14.422 14.671 0.000) 20.573 2.639 ( 3.357 19.049 0.000) 19.343 2.872 ( 4.538 -3.766 -0.000) 5.897 3.230 ( -6.603 3.245 0.000) 7.357 3.761 ( -1.077 -1.477 -0.000) 1.828 3.849 ( 2.963 0.059 -0.000) 2.963 4.180 ( -7.968 -2.639 -0.000) 8.393 4.407 ( -6.025 -1.029 -0.000) 6.112 4.774 ( 7.545 18.930 0.000) 20.379 5.127 ( -0.826 11.668 0.000) 11.697 5.303 ( 8.379 22.223 0.000) 23.750 5.474 ( 0.693 -20.688 -0.000) 20.699 5.809 ( 33.820 9.771 0.000) 35.203 8.210 ( 6.893 0.094 -0.000) 6.894 8.453 ( 20.732 -3.482 -0.000) 21.023 8.726 ( -14.249 -1.681 -0.000) 14.348 8.935 ( -1.781 -11.102 -0.000) 11.244 9.279 ( 0.005 1.963 0.000) 1.963 9.306 ( 4.104 -3.611 -0.000) 5.466 9.799 ( -4.395 4.321 0.000) 6.163 10.288 ( -25.768 -2.779 -0.000) 25.917 10.354 ( 4.741 12.514 0.000) 13.382 10.522 ( 6.619 -1.844 -0.000) 6.871 10.691 ( -9.479 -0.519 -0.000) 9.493 11.421 ( 6.461 1.501 0.000) 6.633 11.825 ( -3.689 -0.934 -0.000) 3.806 11.973 ( -1.360 20.652 0.000) 20.697 12.256 ( -1.482 -16.272 -0.000) 16.340 12.529 ( 5.717 13.521 0.000) 14.680 12.796 ( -2.086 -16.659 -0.000) 16.789 13.410 ( 13.141 -5.367 -0.000) 14.194 13.697 ( 7.474 7.276 0.000) 10.431 13.865 ( 4.155 7.036 0.000) 8.171 14.448 ( -10.089 7.016 0.000) 12.289 15.630 ( -1.120 -3.141 -0.000) 3.335 15.660 ( -2.008 -0.165 -0.000) 2.015 15.723 ( 2.866 -1.393 -0.000) 3.187 15.893 ( -0.358 2.583 0.000) 2.607 17.731 ( 6.094 14.594 0.000) 15.815 18.188 ( -2.215 -6.753 -0.000) 7.107 18.850 ( -0.165 4.600 0.000) 4.603 18.958 ( -3.940 -8.013 -0.000) 8.929 ======================= Grid point 107 (86/148) ======================= q-point: (-0.37 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 5.728 -0.000 -24.317) 24.983 1.975 ( 5.526 -0.000 -22.142) 22.821 3.071 ( -7.757 -0.000 -1.374) 7.878 3.250 ( -10.074 0.000 -0.082) 10.074 3.298 ( -3.642 0.000 1.645) 3.996 3.590 ( 6.711 -0.000 -16.351) 17.674 3.758 ( -3.615 0.000 0.414) 3.638 4.090 ( 7.573 -0.000 -1.440) 7.709 4.240 ( 7.958 -0.000 -9.650) 12.508 4.575 ( -2.912 -0.000 -11.175) 11.548 5.220 ( 1.007 -0.000 -9.150) 9.205 5.795 ( 38.470 -0.000 -1.311) 38.492 6.864 ( 5.726 -0.000 -6.882) 8.952 8.150 ( 15.445 -0.000 -0.587) 15.456 8.422 ( 26.364 -0.000 2.629) 26.494 8.732 ( -16.337 0.000 2.797) 16.575 9.285 ( -2.333 0.000 8.177) 8.503 9.423 ( 0.014 -0.000 -0.872) 0.872 9.576 ( -8.910 0.000 11.796) 14.783 10.055 ( -1.854 -0.000 -4.931) 5.268 10.237 ( -12.413 -0.000 -4.962) 13.368 10.349 ( -3.790 -0.000 -7.212) 8.147 10.377 ( -0.431 -0.000 -7.495) 7.508 10.773 ( -5.001 0.000 1.658) 5.269 10.904 ( -2.591 -0.000 -11.193) 11.489 11.308 ( -1.874 -0.000 -6.810) 7.063 11.640 ( 1.078 0.000 4.486) 4.614 11.655 ( -6.004 0.000 6.664) 8.970 12.823 ( 10.873 -0.000 -0.912) 10.911 13.181 ( -0.290 0.000 2.512) 2.528 13.464 ( 5.163 -0.000 -5.976) 7.897 13.536 ( 0.602 0.000 3.000) 3.060 13.668 ( 0.173 -0.000 -11.941) 11.942 13.782 ( -2.025 -0.000 -6.094) 6.422 15.688 ( 3.226 0.000 2.962) 4.380 15.727 ( -0.995 0.000 1.190) 1.552 16.036 ( 2.816 -0.000 -2.307) 3.640 16.422 ( -3.987 0.000 6.450) 7.583 16.787 ( 13.908 -0.000 -19.386) 23.859 18.339 ( -12.462 0.000 4.797) 13.353 18.886 ( 4.063 0.000 4.246) 5.876 19.307 ( 0.828 0.000 0.123) 0.837 ======================= Grid point 109 (87/148) ======================= q-point: ( 0.13 -0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -0.755 4.667 0.000) 4.728 2.801 ( -3.826 -1.319 -0.000) 4.047 2.992 ( 3.484 4.088 0.000) 5.372 3.206 ( -4.993 7.306 0.000) 8.849 3.684 ( 0.434 -4.824 -0.000) 4.844 3.904 ( -0.082 -1.889 -0.000) 1.890 4.001 ( 1.709 -4.206 -0.000) 4.540 4.088 ( -7.629 -11.199 -0.000) 13.550 5.031 ( -1.438 -18.892 -0.000) 18.947 5.088 ( 1.265 3.123 0.000) 3.370 5.152 ( -13.419 0.281 0.000) 13.422 5.911 ( 2.785 23.481 0.000) 23.645 6.770 ( 43.900 6.428 0.000) 44.368 8.223 ( -23.456 -0.544 0.000) 23.462 8.505 ( 8.518 4.122 0.000) 9.463 8.551 ( -0.285 -2.829 -0.000) 2.843 9.025 ( 18.491 -0.316 -0.000) 18.494 9.311 ( -2.236 3.716 0.000) 4.336 9.374 ( 3.290 1.864 0.000) 3.781 9.759 ( -20.829 0.602 0.000) 20.838 9.824 ( 4.912 -1.666 -0.000) 5.187 10.417 ( -13.811 -2.101 -0.000) 13.970 10.538 ( -2.985 -1.018 -0.000) 3.153 10.716 ( 4.012 11.745 0.000) 12.411 11.542 ( 4.547 -0.857 -0.000) 4.627 11.697 ( -4.241 -12.614 -0.000) 13.308 11.762 ( -6.796 -15.589 -0.000) 17.006 12.339 ( 4.412 14.795 0.000) 15.439 12.427 ( -2.233 -16.238 -0.000) 16.391 12.928 ( 5.086 14.131 0.000) 15.018 13.542 ( 9.839 -6.534 -0.000) 11.811 13.887 ( 2.707 -0.234 -0.000) 2.717 14.002 ( 0.401 -0.015 -0.000) 0.401 14.270 ( -12.492 -0.849 -0.000) 12.521 15.551 ( -1.170 -0.943 -0.000) 1.503 15.652 ( 0.422 0.046 0.000) 0.425 15.816 ( 2.369 6.388 0.000) 6.813 15.914 ( -1.503 1.819 0.000) 2.360 17.984 ( -5.437 -7.783 -0.000) 9.494 18.105 ( 6.281 10.603 0.000) 12.324 18.693 ( -2.820 -10.043 -0.000) 10.432 18.986 ( 1.224 7.502 0.000) 7.602 ======================= Grid point 110 (88/148) ======================= q-point: ( 0.13 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -13.116 -15.942 -0.000) 20.644 2.572 ( -16.992 -4.045 -0.000) 17.467 3.107 ( 2.876 2.984 0.000) 4.145 3.278 ( -7.088 9.180 0.000) 11.598 3.547 ( 3.988 -11.215 -0.000) 11.903 3.815 ( -3.469 -2.313 -0.000) 4.170 3.896 ( 4.153 -3.484 -0.000) 5.421 3.950 ( 5.521 -13.772 -0.000) 14.837 4.532 ( -22.430 -11.452 -0.000) 25.184 4.844 ( -6.397 -3.336 -0.000) 7.215 4.961 ( -7.709 -8.039 -0.000) 11.138 6.289 ( -1.841 14.683 0.000) 14.798 7.539 ( -41.894 2.285 0.000) 41.956 7.730 ( 40.025 4.070 0.000) 40.232 8.516 ( -4.898 2.934 0.000) 5.710 8.942 ( 17.103 9.538 0.000) 19.583 9.355 ( 1.682 4.455 0.000) 4.762 9.356 ( -1.609 4.856 0.000) 5.116 9.505 ( -11.379 4.526 0.000) 12.246 9.541 ( 16.373 1.979 0.000) 16.492 9.962 ( 15.065 -4.840 -0.000) 15.823 10.024 ( -18.882 -3.710 -0.000) 19.243 10.384 ( -8.680 -1.154 -0.000) 8.756 10.957 ( -3.025 7.085 0.000) 7.704 11.075 ( -3.719 -25.115 -0.000) 25.389 11.535 ( -5.050 -6.999 -0.000) 8.631 11.576 ( 3.193 -2.744 -0.000) 4.210 12.090 ( -0.842 -14.053 -0.000) 14.079 12.708 ( 5.628 10.841 0.000) 12.215 13.234 ( 2.753 7.731 0.000) 8.206 13.517 ( 2.755 -8.673 -0.000) 9.100 13.765 ( -4.819 -7.269 -0.000) 8.722 13.854 ( -7.250 -6.636 -0.000) 9.828 14.022 ( -10.939 0.697 0.000) 10.962 15.576 ( 2.313 1.775 0.000) 2.916 15.661 ( 1.431 -1.006 -0.000) 1.749 15.917 ( -1.114 1.397 0.000) 1.787 16.044 ( 1.621 11.331 0.000) 11.446 17.583 ( -15.072 -12.723 -0.000) 19.724 18.401 ( 4.287 8.947 0.000) 9.921 18.548 ( 4.570 -5.674 -0.000) 7.286 19.155 ( 1.103 6.350 0.000) 6.445 ======================= Grid point 111 (89/148) ======================= q-point: (-0.37 -0.12 0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -0.000 11.228 0.000) 11.228 2.768 ( -0.000 18.701 0.000) 18.701 2.895 ( -0.000 3.163 0.000) 3.163 3.194 ( -0.000 5.389 0.000) 5.389 3.416 ( -0.000 14.066 0.000) 14.066 3.716 ( -0.000 3.688 0.000) 3.688 3.960 ( -0.000 2.498 0.000) 2.498 4.253 ( -0.000 4.265 0.000) 4.265 4.309 ( -0.000 -4.100 0.000) 4.100 4.799 ( -0.000 -4.248 0.000) 4.248 5.022 ( -0.000 9.776 0.000) 9.776 6.651 ( -0.000 -16.591 0.000) 16.591 7.521 ( 0.000 -0.879 0.000) 0.879 7.619 ( -0.000 -1.466 0.000) 1.466 8.531 ( -0.000 -3.928 0.000) 3.928 8.798 ( -0.000 -7.639 0.000) 7.639 9.327 ( -0.000 1.675 0.000) 1.675 9.443 ( -0.000 3.583 0.000) 3.583 9.669 ( 0.000 -0.365 0.000) 0.365 9.757 ( 0.000 -4.237 -0.000) 4.237 9.766 ( -0.000 3.814 0.000) 3.814 10.079 ( -0.000 -7.713 0.000) 7.713 10.348 ( -0.000 5.895 -0.000) 5.895 10.579 ( -0.000 -4.732 0.000) 4.732 11.448 ( -0.000 19.241 -0.000) 19.241 11.450 ( 0.000 7.548 0.000) 7.548 11.681 ( -0.000 2.249 0.000) 2.249 11.833 ( -0.000 13.097 0.000) 13.097 12.854 ( -0.000 -10.590 0.000) 10.590 13.082 ( -0.000 -10.256 0.000) 10.256 13.505 ( -0.000 4.093 -0.000) 4.093 13.716 ( -0.000 3.645 0.000) 3.645 13.840 ( 0.000 7.112 0.000) 7.112 13.901 ( -0.000 6.508 0.000) 6.508 15.664 ( -0.000 -1.667 0.000) 1.667 15.686 ( -0.000 -2.519 0.000) 2.519 16.015 ( -0.000 -5.448 0.000) 5.448 16.066 ( 0.000 -7.501 0.000) 7.501 17.583 ( 0.000 11.323 0.000) 11.323 18.164 ( -0.000 10.984 0.000) 10.984 18.766 ( -0.000 -8.490 0.000) 8.490 19.188 ( -0.000 -6.718 0.000) 6.718 ======================= Grid point 113 (90/148) ======================= q-point: ( 0.63 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -10.660 15.223 3.371) 18.887 2.894 ( -10.021 4.241 6.016) 12.434 2.973 ( -0.480 1.181 -0.788) 1.499 3.218 ( -1.447 -9.184 -1.779) 9.466 3.512 ( -6.292 3.526 0.508) 7.231 3.921 ( 4.934 10.130 -4.764) 12.233 4.014 ( 2.618 6.506 2.062) 7.310 4.309 ( 4.967 -0.585 4.821) 6.947 4.451 ( 5.484 5.352 4.031) 8.659 4.709 ( 3.112 -0.310 3.415) 4.631 5.342 ( 2.068 17.058 0.286) 17.185 6.243 ( -1.615 -22.187 0.770) 22.259 6.611 ( -48.604 -0.631 1.972) 48.648 8.204 ( 14.407 -0.179 -2.791) 14.675 8.450 ( -2.390 -1.818 2.922) 4.190 8.719 ( 11.564 -6.541 -4.446) 14.010 9.195 ( -25.044 0.665 -1.736) 25.113 9.302 ( -6.326 0.563 -3.485) 7.244 9.514 ( -0.235 3.799 3.235) 4.995 9.718 ( 1.636 -7.065 5.092) 8.861 10.036 ( 9.386 0.335 4.480) 10.406 10.136 ( 15.870 -3.659 -8.602) 18.419 10.503 ( 4.751 4.422 4.176) 7.718 10.585 ( 6.551 -0.739 -1.919) 6.866 11.515 ( -5.342 2.618 0.042) 5.949 11.690 ( 1.678 5.423 1.592) 5.896 11.909 ( -2.246 21.349 7.099) 22.611 12.028 ( -4.830 8.797 -4.618) 11.047 12.645 ( 1.461 -9.082 0.041) 9.199 12.806 ( 1.365 -17.681 -3.616) 18.099 13.566 ( -4.355 4.969 1.116) 6.700 13.701 ( -4.501 -0.278 0.429) 4.530 13.802 ( -10.253 3.438 1.573) 10.928 14.212 ( 9.637 8.375 2.491) 13.008 15.622 ( -0.151 -1.835 -1.618) 2.451 15.664 ( 1.846 -1.654 0.035) 2.479 15.862 ( -2.498 -3.791 0.105) 4.541 16.007 ( 3.445 -4.215 1.028) 5.540 17.705 ( -9.726 13.587 3.525) 17.077 18.339 ( 2.870 -7.276 -1.404) 7.947 18.691 ( 2.415 6.336 -0.817) 6.829 19.058 ( 2.195 -7.914 -0.355) 8.221 ======================= Grid point 114 (91/148) ======================= q-point: ( 0.13 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -18.843 -23.864 -0.000) 30.406 2.017 ( -26.538 -6.337 -0.000) 27.284 3.139 ( -13.864 -0.651 -0.000) 13.880 3.237 ( -2.772 0.701 0.000) 2.859 3.536 ( -16.148 -3.925 -0.000) 16.618 3.582 ( 4.959 2.260 0.000) 5.450 3.750 ( 3.202 -12.488 -0.000) 12.892 3.906 ( -12.882 -3.445 -0.000) 13.335 3.964 ( 8.467 -4.650 -0.000) 9.660 4.572 ( -11.372 -8.608 -0.000) 14.263 4.765 ( -1.725 0.043 0.000) 1.726 6.435 ( -4.614 6.983 0.000) 8.369 6.725 ( -44.824 4.646 0.000) 45.064 8.395 ( -6.933 1.262 0.000) 7.047 8.465 ( 20.452 1.865 0.000) 20.537 9.133 ( -30.899 3.094 0.000) 31.054 9.379 ( 0.416 1.359 0.000) 1.422 9.454 ( 11.845 7.279 0.000) 13.903 9.573 ( 7.193 3.734 0.000) 8.105 9.690 ( -2.992 0.477 0.000) 3.029 9.889 ( 5.815 -1.297 -0.000) 5.958 10.186 ( 10.889 2.295 0.000) 11.128 10.297 ( 9.489 -2.520 -0.000) 9.818 10.490 ( -2.032 -20.653 -0.000) 20.752 11.025 ( -7.632 4.401 0.000) 8.810 11.284 ( -4.230 -7.937 -0.000) 8.994 11.608 ( 5.822 -1.866 -0.000) 6.114 11.887 ( 2.641 -7.679 -0.000) 8.121 12.919 ( -1.726 5.148 0.000) 5.430 13.280 ( -2.071 -2.910 -0.000) 3.572 13.337 ( -3.587 -7.891 -0.000) 8.668 13.530 ( -10.366 -6.792 -0.000) 12.393 13.606 ( -2.092 -0.020 0.000) 2.092 13.858 ( -7.598 2.192 0.000) 7.908 15.670 ( 3.406 1.169 0.000) 3.602 15.673 ( 1.703 -0.814 -0.000) 1.887 15.928 ( -0.304 1.076 0.000) 1.118 16.277 ( -3.576 13.203 0.000) 13.679 16.946 ( -17.040 -16.498 -0.000) 23.718 18.608 ( 6.923 -1.461 -0.000) 7.075 18.630 ( 2.585 7.159 0.000) 7.611 19.257 ( -0.285 3.167 0.000) 3.180 ======================= Grid point 115 (92/148) ======================= q-point: ( 0.13 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -24.345 0.000 -0.000) 24.345 1.339 ( -32.013 0.000 -0.000) 32.013 2.320 ( -50.961 0.000 -0.000) 50.961 3.233 ( -0.416 0.000 -0.000) 0.416 3.344 ( -7.446 0.000 -0.000) 7.446 3.667 ( 2.940 -0.000 0.000) 2.940 3.697 ( 3.571 -0.000 0.000) 3.571 3.870 ( 6.005 -0.000 0.000) 6.005 4.076 ( 9.173 -0.000 0.000) 9.173 4.284 ( -8.301 0.000 -0.000) 8.301 4.703 ( -5.250 0.000 -0.000) 5.250 5.960 ( -36.407 0.000 -0.000) 36.407 6.389 ( -6.188 0.000 -0.000) 6.188 8.183 ( -10.727 0.000 -0.000) 10.727 8.479 ( -31.718 0.000 -0.000) 31.718 8.706 ( 1.101 -0.000 0.000) 1.101 9.508 ( -4.490 0.000 -0.000) 4.490 9.511 ( 9.332 -0.000 0.000) 9.332 9.787 ( -6.987 0.000 -0.000) 6.987 9.794 ( 9.323 -0.000 0.000) 9.323 9.948 ( 12.275 -0.000 0.000) 12.275 10.242 ( 0.344 -0.000 0.000) 0.344 10.450 ( 10.341 -0.000 0.000) 10.341 10.565 ( 15.246 -0.000 0.000) 15.246 10.902 ( -8.389 0.000 -0.000) 8.389 11.103 ( -2.848 0.000 -0.000) 2.848 11.771 ( 12.091 -0.000 0.000) 12.091 11.879 ( 3.019 -0.000 0.000) 3.019 12.837 ( -9.922 0.000 -0.000) 9.922 13.125 ( -7.422 0.000 -0.000) 7.422 13.187 ( -2.335 0.000 -0.000) 2.335 13.230 ( -9.845 0.000 -0.000) 9.845 13.608 ( 0.760 -0.000 0.000) 0.760 13.781 ( -3.784 0.000 -0.000) 3.784 15.699 ( 1.627 -0.000 0.000) 1.627 15.744 ( 2.780 -0.000 0.000) 2.780 15.942 ( 0.265 -0.000 0.000) 0.265 16.185 ( -24.307 0.000 -0.000) 24.307 16.569 ( 3.650 -0.000 0.000) 3.650 18.722 ( 5.139 -0.000 0.000) 5.139 18.761 ( 1.998 -0.000 0.000) 1.998 19.273 ( -1.056 0.000 -0.000) 1.056 ======================= Grid point 116 (93/148) ======================= q-point: (-0.37 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -9.621 -0.000 0.000) 9.621 2.674 ( -16.493 -0.000 -0.000) 16.493 2.795 ( -10.068 0.000 0.000) 10.068 2.948 ( -7.386 0.000 0.000) 7.386 3.499 ( 0.576 0.000 0.000) 0.576 4.039 ( -3.170 0.000 0.000) 3.170 4.212 ( 7.062 -0.000 0.000) 7.062 4.441 ( 5.494 0.000 0.000) 5.494 4.641 ( 10.443 -0.000 0.000) 10.443 4.936 ( 11.908 -0.000 0.000) 11.908 5.618 ( -5.846 0.000 0.000) 5.846 5.691 ( -40.177 0.000 0.000) 40.177 5.874 ( 2.072 0.000 0.000) 2.072 8.234 ( -10.830 -0.000 -0.000) 10.830 8.239 ( -6.283 0.000 0.000) 6.283 8.692 ( -20.929 0.000 0.000) 20.929 9.065 ( 17.025 0.000 0.000) 17.025 9.196 ( -4.235 0.000 0.000) 4.235 9.571 ( -0.978 0.000 0.000) 0.978 9.638 ( 1.835 -0.000 0.000) 1.835 10.129 ( 0.758 0.000 0.000) 0.758 10.487 ( 18.151 0.000 0.000) 18.151 10.704 ( 13.581 -0.000 0.000) 13.581 10.747 ( 7.697 0.000 0.000) 7.697 11.400 ( -6.645 0.000 0.000) 6.645 11.832 ( 4.164 -0.000 -0.000) 4.164 11.889 ( -10.913 0.000 0.000) 10.913 12.139 ( -8.343 0.000 0.000) 8.343 12.600 ( 5.897 -0.000 -0.000) 5.897 12.617 ( 1.035 0.000 0.000) 1.035 13.505 ( -6.277 0.000 0.000) 6.277 13.574 ( -6.066 -0.000 0.000) 6.066 13.617 ( -10.101 0.000 -0.000) 10.101 14.478 ( 7.112 0.000 0.000) 7.112 15.597 ( -0.599 0.000 0.000) 0.599 15.689 ( 1.862 0.000 0.000) 1.862 15.808 ( 0.410 0.000 0.000) 0.410 16.027 ( 2.539 0.000 0.000) 2.539 17.691 ( -8.441 0.000 0.000) 8.441 18.175 ( -3.045 0.000 0.000) 3.045 18.944 ( 7.012 0.000 0.000) 7.012 18.991 ( 2.927 0.000 0.000) 2.927 ======================= Grid point 121 (94/148) ======================= q-point: (-0.52 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -0.000 -1.484 -12.548) 12.635 2.466 ( -0.000 1.096 -21.764) 21.791 2.622 ( 0.000 15.799 3.749) 16.238 3.023 ( -0.000 12.473 -8.238) 14.948 3.617 ( -0.000 -0.156 -6.144) 6.146 3.960 ( -0.000 -1.710 -1.827) 2.502 4.201 ( -0.000 -0.704 -3.828) 3.892 4.421 ( 0.000 -11.444 9.284) 14.736 4.812 ( -0.000 -18.796 -11.183) 21.872 4.873 ( 0.000 0.159 0.040) 0.164 5.358 ( -0.000 -1.219 -1.033) 1.598 5.446 ( -0.000 5.866 -1.996) 6.197 6.063 ( 0.000 18.681 5.751) 19.546 7.860 ( -0.000 -2.581 -0.160) 2.586 7.939 ( -0.000 -2.145 -1.582) 2.665 8.459 ( 0.000 5.480 -1.404) 5.657 9.033 ( 0.000 -2.568 4.565) 5.238 9.451 ( -0.000 5.197 -5.023) 7.228 9.532 ( 0.000 -1.523 11.801) 11.899 9.823 ( -0.000 9.678 -13.089) 16.278 10.108 ( 0.000 0.945 2.014) 2.224 10.770 ( 0.000 3.968 2.801) 4.857 10.778 ( 0.000 -8.667 2.699) 9.078 11.262 ( -0.000 0.136 -2.281) 2.285 11.308 ( 0.000 4.139 12.763) 13.418 11.771 ( -0.000 -8.256 -9.548) 12.622 11.791 ( -0.000 -10.844 -16.527) 19.767 11.857 ( -0.000 -1.475 -0.757) 1.657 12.539 ( -0.000 -2.878 -4.112) 5.019 12.840 ( 0.000 14.812 7.991) 16.830 13.242 ( 0.000 -3.249 10.120) 10.629 13.503 ( -0.000 2.065 -6.558) 6.876 13.604 ( -0.000 5.557 -12.165) 13.374 14.590 ( -0.000 -5.228 -3.501) 6.292 15.565 ( -0.000 -0.958 -0.109) 0.965 15.708 ( 0.000 0.500 1.577) 1.655 15.826 ( 0.000 2.449 2.187) 3.283 16.106 ( 0.000 3.612 2.745) 4.536 17.493 ( -0.000 -9.173 -9.908) 13.502 18.210 ( 0.000 9.804 1.879) 9.982 18.946 ( -0.000 -7.806 1.409) 7.932 19.106 ( 0.000 3.176 5.360) 6.230 ======================= Grid point 122 (95/148) ======================= q-point: (-0.52 -0.15 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -0.443 -3.815 -21.140) 21.486 2.563 ( 9.957 -3.220 -18.737) 21.462 3.015 ( 0.650 15.046 -1.353) 15.121 3.265 ( 1.913 6.197 2.205) 6.851 3.547 ( -3.428 -2.628 -5.946) 7.349 3.910 ( -3.780 0.800 -6.818) 7.837 4.103 ( -0.562 -14.182 6.566) 15.638 4.212 ( -2.348 -9.569 -3.213) 10.364 4.430 ( 4.871 -10.333 -14.877) 18.757 5.022 ( 6.853 -4.243 0.833) 8.103 5.218 ( 7.243 -6.117 -12.369) 15.585 5.497 ( -4.859 4.964 -8.005) 10.599 6.475 ( 4.081 17.030 1.668) 17.591 7.947 ( 13.435 -3.635 -0.328) 13.922 7.999 ( 10.253 -0.876 0.608) 10.308 8.654 ( 0.072 10.507 7.172) 12.722 9.005 ( 1.486 -1.641 8.323) 8.612 9.402 ( -8.059 2.277 0.802) 8.413 9.536 ( -0.419 0.017 1.897) 1.943 10.080 ( 0.718 12.992 -11.335) 17.257 10.173 ( 1.204 4.274 -0.201) 4.444 10.541 ( -1.411 -12.145 1.007) 12.268 10.712 ( -10.916 -0.140 1.762) 11.058 11.185 ( -16.118 3.317 -1.494) 16.524 11.316 ( 2.779 -0.869 -4.510) 5.368 11.511 ( 0.428 -7.867 -2.501) 8.266 11.680 ( 2.218 -10.855 -8.894) 14.208 11.797 ( 0.238 -5.503 -2.346) 5.987 12.600 ( 6.459 1.531 -2.111) 6.966 13.066 ( -2.725 7.840 7.461) 11.161 13.252 ( 5.962 0.377 8.963) 10.771 13.564 ( 4.340 -0.845 -8.090) 9.219 13.732 ( 0.656 5.588 -13.275) 14.418 14.392 ( -4.106 -10.146 -6.682) 12.824 15.570 ( 2.097 -0.319 0.897) 2.303 15.705 ( -1.487 0.580 2.077) 2.620 15.900 ( 0.743 4.541 0.262) 4.608 16.181 ( -0.996 4.788 3.980) 6.305 17.310 ( 3.873 -11.603 -15.225) 19.531 18.431 ( 1.838 8.667 6.155) 10.788 18.729 ( -4.935 -8.085 1.741) 9.631 19.173 ( 0.079 3.945 3.641) 5.369 ======================= Grid point 125 (96/148) ======================= q-point: (-0.52 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 2.280 1.646 -22.821) 22.994 2.553 ( 3.435 -13.969 -13.919) 20.017 3.095 ( -4.066 -2.330 -1.814) 5.026 3.215 ( -8.400 3.398 0.262) 9.065 3.451 ( -7.102 -2.798 -7.248) 10.526 3.791 ( -7.088 -4.617 -0.178) 8.461 3.822 ( -2.512 -8.949 0.788) 9.329 4.124 ( 7.467 5.973 -5.887) 11.229 4.461 ( 6.645 -6.525 -9.080) 13.007 4.822 ( -4.922 -4.049 -7.936) 10.178 5.358 ( -7.617 1.912 -7.786) 11.059 5.837 ( 37.450 1.803 -5.277) 37.863 6.833 ( 4.282 9.604 0.879) 10.553 8.185 ( 15.560 -0.594 -1.901) 15.687 8.346 ( 20.558 1.490 3.173) 20.855 8.659 ( -7.302 -2.595 6.078) 9.849 9.120 ( 4.516 4.430 8.139) 10.309 9.296 ( -7.904 4.479 3.963) 9.912 9.510 ( -1.149 -0.498 -3.438) 3.659 10.105 ( -11.527 1.651 7.053) 13.614 10.249 ( -4.418 -7.207 -4.025) 9.362 10.412 ( -2.581 5.536 -3.634) 7.107 10.458 ( -9.830 4.211 -3.001) 11.108 10.915 ( -8.867 0.528 -12.882) 15.647 11.203 ( -4.481 -9.109 -4.496) 11.102 11.466 ( 1.496 -1.942 -2.679) 3.631 11.528 ( -1.845 -3.175 -0.673) 3.733 11.669 ( -0.612 -7.225 0.220) 7.254 12.781 ( 6.809 2.934 3.609) 8.247 13.129 ( 3.231 -0.055 2.090) 3.848 13.400 ( 2.955 2.720 5.905) 7.141 13.612 ( 3.915 -2.903 -5.569) 7.401 13.825 ( -1.380 4.412 -11.471) 12.367 14.089 ( -5.876 -8.509 -10.862) 14.998 15.627 ( 2.487 0.658 2.465) 3.563 15.684 ( -1.037 0.307 2.778) 2.981 16.028 ( 2.919 3.966 -0.884) 5.003 16.235 ( -2.534 3.961 6.703) 8.188 17.250 ( 9.140 -6.801 -18.984) 22.140 18.332 ( -11.348 -6.298 3.123) 13.349 18.717 ( 4.380 4.918 7.063) 9.657 19.258 ( 0.916 3.167 1.846) 3.779 ======================= Grid point 126 (97/148) ======================= q-point: (-0.52 -0.15 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -6.273 -0.000 -4.519) 7.732 2.306 ( -1.982 -0.000 -20.683) 20.778 2.979 ( -1.053 -0.000 -3.245) 3.412 3.125 ( -7.447 -0.000 -2.293) 7.792 3.170 ( -9.541 -0.000 -13.201) 16.288 3.669 ( -1.900 0.000 2.670) 3.276 3.677 ( -1.292 0.000 1.155) 1.733 4.374 ( -0.988 0.000 4.030) 4.149 4.457 ( 6.240 -0.000 -7.811) 9.998 4.763 ( 3.272 -0.000 -6.932) 7.666 5.121 ( -17.430 0.000 1.101) 17.464 6.682 ( 36.484 -0.000 0.834) 36.493 7.021 ( 10.272 -0.000 -0.413) 10.281 8.265 ( -25.190 0.000 1.586) 25.240 8.523 ( 14.814 -0.000 -4.212) 15.402 8.844 ( 19.634 0.000 6.809) 20.781 9.169 ( -0.360 -0.000 -1.664) 1.703 9.313 ( 4.830 0.000 4.483) 6.590 9.462 ( -4.928 -0.000 -5.878) 7.671 9.841 ( -7.183 0.000 7.311) 10.249 10.101 ( -1.573 -0.000 -3.797) 4.110 10.226 ( -19.956 -0.000 -6.214) 20.901 10.386 ( -5.034 0.000 9.612) 10.850 10.947 ( -6.477 0.000 4.263) 7.754 10.949 ( 1.062 -0.000 -17.102) 17.135 11.375 ( -5.181 -0.000 -3.847) 6.453 11.484 ( 1.201 -0.000 -2.762) 3.012 11.591 ( 0.949 0.000 3.521) 3.647 12.957 ( 6.390 0.000 5.299) 8.302 13.187 ( 2.179 -0.000 -2.471) 3.294 13.445 ( 0.090 0.000 6.134) 6.135 13.629 ( -0.010 -0.000 -4.728) 4.728 13.828 ( -3.194 -0.000 -2.976) 4.366 13.893 ( -4.005 -0.000 -13.472) 14.055 15.661 ( 0.332 0.000 2.759) 2.779 15.694 ( 1.418 0.000 2.982) 3.302 16.115 ( 0.499 0.000 3.302) 3.340 16.250 ( 0.840 0.000 1.861) 2.042 17.381 ( 7.353 -0.000 -13.874) 15.702 18.002 ( -11.568 0.000 -0.525) 11.580 18.863 ( 4.277 0.000 7.347) 8.501 19.311 ( 0.835 0.000 1.148) 1.420 ======================= Grid point 136 (98/148) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -0.000 -0.000 -29.959) 29.959 1.289 ( -0.000 -0.000 -32.044) 32.044 2.054 ( -0.000 -0.000 -51.345) 51.345 3.383 ( 0.000 0.000 1.225) 1.225 3.393 ( -0.000 -0.000 -8.695) 8.695 3.646 ( -0.000 -0.000 -9.549) 9.549 3.777 ( 0.000 0.000 8.382) 8.382 3.889 ( 0.000 0.000 0.079) 0.079 4.063 ( 0.000 0.000 8.546) 8.546 4.492 ( -0.000 -0.000 -10.405) 10.405 4.699 ( -0.000 -0.000 -7.187) 7.187 5.001 ( -0.000 -0.000 -12.992) 12.992 6.558 ( -0.000 -0.000 -9.451) 9.451 7.718 ( 0.000 0.000 1.254) 1.254 7.930 ( 0.000 0.000 0.634) 0.634 8.887 ( -0.000 -0.000 -12.219) 12.219 9.480 ( 0.000 0.000 7.265) 7.265 9.572 ( 0.000 0.000 7.316) 7.316 9.853 ( -0.000 -0.000 -14.884) 14.884 9.946 ( -0.000 -0.000 -11.058) 11.058 10.072 ( 0.000 0.000 8.125) 8.125 10.117 ( -0.000 -0.000 -0.364) 0.364 10.512 ( 0.000 0.000 1.457) 1.457 10.840 ( -0.000 -0.000 -8.730) 8.730 11.206 ( -0.000 -0.000 -7.138) 7.138 11.270 ( 0.000 0.000 0.442) 0.442 11.782 ( 0.000 0.000 11.613) 11.613 11.872 ( 0.000 0.000 3.534) 3.534 12.345 ( -0.000 -0.000 -4.992) 4.992 13.061 ( -0.000 -0.000 -8.451) 8.451 13.379 ( -0.000 -0.000 -12.502) 12.502 13.402 ( 0.000 0.000 4.858) 4.858 13.620 ( 0.000 0.000 4.637) 4.637 13.778 ( -0.000 -0.000 -4.302) 4.302 15.572 ( 0.000 0.000 1.531) 1.531 15.784 ( -0.000 -0.000 -0.190) 0.190 15.961 ( -0.000 -0.000 -0.709) 0.709 16.134 ( -0.000 -0.000 -16.720) 16.720 16.602 ( 0.000 0.000 3.140) 3.140 18.694 ( 0.000 0.000 3.822) 3.822 18.846 ( 0.000 0.000 2.946) 2.946 19.280 ( -0.000 -0.000 -1.055) 1.055 ======================= Grid point 137 (99/148) ======================= q-point: ( 0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.000 24.524 4.156) 24.873 2.471 ( -0.000 24.052 -8.897) 25.645 2.688 ( -0.000 -7.512 -4.932) 8.987 3.197 ( -0.000 0.296 -17.265) 17.268 3.758 ( -0.000 0.850 -6.955) 7.006 3.947 ( 0.000 -1.190 7.477) 7.571 4.296 ( -0.000 -0.541 -4.697) 4.728 4.330 ( 0.000 8.181 1.011) 8.243 4.854 ( 0.000 1.737 -0.235) 1.753 4.861 ( 0.000 20.933 16.386) 26.583 5.183 ( 0.000 12.982 7.389) 14.937 5.261 ( -0.000 7.240 -8.096) 10.861 5.661 ( 0.000 -2.579 11.840) 12.118 7.896 ( -0.000 -0.553 -0.310) 0.634 8.029 ( -0.000 -0.946 -2.747) 2.905 8.743 ( -0.000 -12.027 -15.945) 19.972 9.085 ( -0.000 -7.144 0.444) 7.157 9.276 ( 0.000 11.869 2.430) 12.115 9.363 ( 0.000 -6.379 13.704) 15.116 9.866 ( -0.000 9.757 -12.484) 15.845 10.174 ( -0.000 -5.442 -1.801) 5.733 10.458 ( 0.000 9.585 15.265) 18.025 10.834 ( 0.000 -1.926 2.043) 2.807 11.090 ( 0.000 1.139 3.591) 3.768 11.256 ( 0.000 2.928 -0.312) 2.945 11.935 ( -0.000 -5.469 -2.134) 5.871 11.941 ( -0.000 12.654 -8.675) 15.342 12.215 ( -0.000 0.095 -11.650) 11.651 12.303 ( 0.000 10.053 8.908) 13.431 12.865 ( -0.000 -14.841 -2.296) 15.018 13.141 ( 0.000 -5.987 7.777) 9.815 13.488 ( -0.000 7.638 -2.286) 7.973 13.686 ( -0.000 6.825 -8.472) 10.879 14.654 ( -0.000 4.040 -2.039) 4.525 15.600 ( -0.000 -1.015 -1.403) 1.732 15.674 ( 0.000 -0.561 1.999) 2.076 15.745 ( 0.000 0.268 2.345) 2.361 15.959 ( 0.000 2.570 5.653) 6.210 17.589 ( 0.000 12.258 -2.297) 12.471 18.192 ( -0.000 -5.507 -4.543) 7.139 18.924 ( 0.000 2.868 6.309) 6.930 19.065 ( -0.000 -6.213 1.027) 6.297 ======================= Grid point 138 (100/148) ======================= q-point: ( 0.33 -0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 7.622 12.491 -4.189) 15.221 2.611 ( 1.655 3.025 -5.380) 6.390 2.881 ( 4.484 12.166 -8.077) 15.276 3.223 ( 0.051 2.186 -11.183) 11.395 3.709 ( -3.255 -1.386 -6.618) 7.505 3.924 ( -0.611 -0.809 7.031) 7.104 4.233 ( -4.905 -7.725 1.822) 9.330 4.375 ( 2.732 -3.808 -2.504) 5.313 4.781 ( -0.170 -4.278 -3.315) 5.415 5.128 ( 3.746 -11.022 0.432) 11.649 5.298 ( 7.417 10.556 -0.675) 12.918 5.454 ( 0.453 9.991 0.677) 10.025 5.971 ( 3.035 23.426 6.230) 24.429 8.011 ( 13.582 -2.698 -0.707) 13.865 8.053 ( 6.849 -2.203 -1.282) 7.308 8.589 ( 0.146 -2.880 -9.623) 10.046 8.963 ( 0.006 -6.619 5.402) 8.544 9.233 ( -1.831 -1.148 10.433) 10.654 9.485 ( -2.396 8.861 0.135) 9.180 9.971 ( -6.106 4.416 -2.541) 7.952 10.226 ( 7.155 5.938 -10.859) 14.296 10.613 ( -5.984 3.931 5.546) 9.057 10.718 ( -1.545 -5.890 2.058) 6.428 10.927 ( -14.680 4.807 8.445) 17.604 11.342 ( 3.820 1.742 -1.075) 4.333 11.804 ( -1.416 -5.733 -0.100) 5.907 11.892 ( -3.161 -9.401 -9.568) 13.781 12.237 ( 2.712 -7.544 -12.769) 15.077 12.557 ( -3.148 4.953 3.531) 6.849 12.734 ( 3.207 9.346 2.505) 10.194 13.119 ( 9.879 -5.327 9.422) 14.654 13.657 ( 4.193 4.136 -4.305) 7.295 13.841 ( 1.736 6.166 -9.332) 11.319 14.620 ( -4.727 -2.658 -3.504) 6.456 15.585 ( 1.030 -1.373 -0.766) 1.880 15.662 ( -1.180 -0.242 1.889) 2.240 15.784 ( -0.032 4.510 1.671) 4.810 16.009 ( -0.426 2.667 5.648) 6.261 17.738 ( 2.683 -1.181 -11.858) 12.215 18.164 ( 0.668 3.610 4.959) 6.171 18.879 ( -4.025 -8.570 0.700) 9.494 18.996 ( 0.182 4.780 5.011) 6.927 ======================= Grid point 141 (101/148) ======================= q-point: (-0.67 -0.17 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 1.679 -1.886 -16.230) 16.425 2.877 ( 2.377 1.488 -4.661) 5.439 3.083 ( -3.737 1.784 6.622) 7.810 3.247 ( 2.419 -0.270 -9.484) 9.791 3.613 ( -3.423 -0.918 -7.062) 7.901 3.862 ( -2.647 -3.656 4.742) 6.547 3.995 ( -4.834 -8.288 0.377) 9.602 4.096 ( -8.741 -3.161 1.093) 9.359 4.760 ( 1.810 -10.402 -3.676) 11.180 4.964 ( 1.923 -3.006 -1.069) 3.725 5.446 ( -13.699 5.201 -6.912) 16.202 5.908 ( 33.649 3.358 -5.223) 34.217 6.478 ( 4.137 18.720 4.895) 19.787 8.223 ( 12.594 0.041 -1.054) 12.638 8.305 ( 15.759 -0.132 -1.342) 15.816 8.611 ( 2.195 -2.431 3.888) 5.083 8.866 ( 0.735 2.794 7.275) 7.827 9.235 ( 1.366 0.262 -0.371) 1.439 9.552 ( -3.429 5.143 -2.413) 6.635 9.902 ( -8.132 2.285 6.156) 10.452 10.273 ( -19.552 0.746 4.519) 20.081 10.483 ( -3.632 -6.851 -3.008) 8.317 10.526 ( -0.229 5.950 -10.012) 11.649 10.944 ( -6.049 11.342 0.363) 12.859 11.411 ( -3.568 -8.686 -2.801) 9.799 11.490 ( -0.836 -8.548 1.881) 8.792 11.701 ( -2.755 -6.170 -0.654) 6.789 12.040 ( 0.289 -13.229 -12.025) 17.880 12.581 ( 1.154 4.626 8.558) 9.797 13.056 ( 4.753 9.690 -1.609) 10.912 13.270 ( 9.985 -2.417 5.225) 11.526 13.762 ( 3.436 -2.431 -3.681) 5.591 13.949 ( -0.714 2.765 -8.226) 8.708 14.393 ( -8.620 -5.148 -5.849) 11.620 15.588 ( 0.113 0.281 0.395) 0.498 15.630 ( -0.426 -0.444 2.395) 2.472 15.927 ( 2.102 6.937 -0.140) 7.250 16.038 ( -1.345 2.672 6.399) 7.064 17.710 ( 3.983 -6.213 -15.326) 17.010 18.301 ( 0.363 4.203 8.548) 9.532 18.601 ( -4.598 -6.985 1.457) 8.489 19.121 ( 1.187 5.959 2.649) 6.628 ======================= Grid point 142 (102/148) ======================= q-point: ( 0.33 -0.17 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -11.042 -10.568 -2.366) 15.466 2.714 ( -7.718 -4.104 -13.697) 16.248 3.063 ( -1.777 4.630 0.178) 4.962 3.206 ( 0.132 -7.276 -8.996) 11.571 3.479 ( -5.320 -3.033 -8.824) 10.741 3.672 ( -2.243 -3.710 1.321) 4.532 3.751 ( -1.108 -8.416 0.601) 8.510 4.116 ( -5.280 8.858 8.726) 13.509 4.600 ( 0.718 -4.467 -0.343) 4.537 4.907 ( -1.136 -5.716 -2.800) 6.465 5.125 ( -23.656 1.663 -4.677) 24.171 6.567 ( 13.367 4.904 6.960) 15.848 6.975 ( 29.939 5.675 -2.668) 30.588 8.232 ( -21.585 1.254 -0.043) 21.622 8.591 ( 10.530 0.917 -2.866) 10.951 8.705 ( 14.856 3.403 4.257) 15.824 9.166 ( 15.524 4.996 3.472) 16.673 9.279 ( 3.585 -0.367 -6.920) 7.802 9.605 ( 0.381 -0.347 -6.695) 6.715 9.663 ( -9.398 0.323 9.515) 13.378 10.065 ( -11.149 8.082 9.713) 16.851 10.226 ( -5.929 -6.595 -0.271) 8.872 10.455 ( -14.199 -2.599 -10.847) 18.056 10.908 ( -11.739 -11.648 8.147) 18.435 11.108 ( -1.802 10.595 -9.271) 14.193 11.479 ( -2.968 -5.022 -0.763) 5.883 11.525 ( 0.046 -1.949 1.224) 2.302 11.769 ( 0.325 -13.089 -6.439) 14.590 12.784 ( 7.333 4.956 6.325) 10.879 13.254 ( 3.592 1.547 -3.512) 5.257 13.357 ( 2.083 -1.541 3.335) 4.223 13.713 ( -0.294 -3.618 -0.983) 3.761 13.898 ( -6.114 -0.868 -3.809) 7.256 14.142 ( -8.747 -1.700 -8.653) 12.420 15.602 ( 0.216 1.153 1.960) 2.285 15.638 ( 1.465 -0.265 2.346) 2.779 16.001 ( -1.139 0.589 5.320) 5.472 16.177 ( 3.854 7.267 -0.324) 8.233 17.624 ( -5.685 -5.115 -6.503) 10.039 18.170 ( -1.834 -5.255 -8.995) 10.578 18.639 ( 4.959 3.855 10.992) 12.660 19.248 ( 1.199 3.794 1.369) 4.208 ======================= Grid point 143 (103/148) ======================= q-point: (-0.17 -0.17 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 12.556 17.000 1.198) 21.168 2.709 ( 11.566 6.991 -10.414) 17.062 3.035 ( -0.636 3.262 2.382) 4.089 3.212 ( 4.927 -12.489 -2.645) 13.684 3.557 ( 2.430 4.679 5.498) 7.618 3.963 ( -0.898 7.203 -4.811) 8.709 3.973 ( -7.339 7.096 0.889) 10.247 4.271 ( 0.898 0.535 6.216) 6.303 4.394 ( -3.481 10.295 -4.320) 11.695 4.715 ( 2.337 8.496 2.551) 9.174 5.291 ( -1.328 14.533 -5.007) 15.429 6.156 ( 2.753 -20.407 -7.660) 21.970 6.595 ( 47.774 0.117 -0.126) 47.775 8.277 ( -17.484 -1.384 4.508) 18.109 8.387 ( 0.983 -1.336 -3.283) 3.678 8.807 ( -6.889 -9.076 4.573) 12.278 9.177 ( 20.794 -1.597 -3.181) 21.096 9.345 ( 5.771 -2.041 0.441) 6.137 9.469 ( -4.406 2.788 -2.826) 5.930 9.641 ( 4.278 -1.517 0.234) 4.545 9.977 ( -14.113 -1.133 -3.123) 14.499 10.272 ( -10.990 -1.141 4.962) 12.113 10.425 ( -4.913 4.650 -3.402) 7.572 10.633 ( -3.185 -2.496 3.132) 5.117 11.515 ( 5.674 2.703 0.089) 6.286 11.623 ( 2.385 14.689 -5.134) 15.743 11.787 ( 0.322 11.197 -3.833) 11.840 12.168 ( 2.826 11.848 7.846) 14.489 12.603 ( -1.343 -11.816 -2.880) 12.236 12.921 ( -2.719 -15.521 6.777) 17.153 13.566 ( 4.513 7.142 1.813) 8.640 13.714 ( 6.777 -1.164 1.248) 6.988 13.790 ( 10.771 4.943 0.201) 11.852 14.157 ( -8.593 10.596 -3.411) 14.062 15.643 ( -1.734 -1.575 -0.378) 2.373 15.660 ( -1.169 -2.555 0.587) 2.870 15.851 ( 2.675 -3.455 -0.791) 4.441 15.968 ( -2.226 -3.823 -2.895) 5.287 17.650 ( 10.730 15.124 -2.466) 18.707 18.340 ( -2.849 -7.912 -1.186) 8.492 18.709 ( -2.737 5.670 0.972) 6.370 19.057 ( -2.321 -7.823 -0.327) 8.167 ======================= Grid point 144 (104/148) ======================= q-point: (-0.17 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -0.589 -10.122 -1.562) 10.259 2.795 ( 0.589 10.122 -1.562) 10.259 3.104 ( 3.046 -6.687 -2.236) 7.681 3.104 ( -3.046 6.687 -2.236) 7.681 3.772 ( -7.869 -4.303 0.750) 9.000 3.772 ( 7.869 4.303 0.750) 9.000 4.133 ( -1.283 -7.424 -2.421) 7.913 4.133 ( 1.283 7.424 -2.421) 7.913 4.664 ( -3.991 -8.543 11.659) 14.994 4.664 ( 3.991 8.543 11.659) 14.994 5.717 ( -0.623 -24.745 -6.306) 25.543 5.717 ( 0.623 24.745 -6.306) 25.543 7.558 ( -43.517 -1.997 0.230) 43.563 7.558 ( 43.517 1.997 0.230) 43.563 8.525 ( -5.000 -5.244 1.359) 7.372 8.525 ( 5.000 5.244 1.359) 7.372 9.402 ( -1.210 -2.645 -6.332) 6.968 9.402 ( 1.210 2.645 -6.332) 6.968 9.569 ( -12.094 -0.374 -4.614) 12.949 9.569 ( 12.094 0.374 -4.614) 12.949 9.962 ( -12.830 -2.326 7.708) 15.147 9.962 ( 12.830 2.326 7.708) 15.147 10.506 ( -2.398 -3.746 0.985) 4.556 10.506 ( 2.398 3.746 0.985) 4.556 11.653 ( -4.077 -0.507 0.106) 4.109 11.653 ( 4.077 0.507 0.106) 4.109 12.224 ( -3.795 -18.787 -6.758) 20.323 12.224 ( 3.795 18.787 -6.758) 20.323 12.533 ( -2.310 -17.393 8.152) 19.347 12.533 ( 2.310 17.393 8.152) 19.347 13.737 ( 0.300 -4.415 2.665) 5.166 13.737 ( -0.300 4.415 2.665) 5.166 14.074 ( -10.769 0.454 -0.268) 10.782 14.074 ( 10.769 -0.454 -0.268) 10.782 15.606 ( 0.701 -1.338 -0.378) 1.557 15.606 ( -0.701 1.338 -0.378) 1.557 15.874 ( -3.500 0.559 -1.264) 3.763 15.874 ( 3.500 -0.559 -1.264) 3.763 18.078 ( -4.797 -11.673 -1.536) 12.713 18.078 ( 4.797 11.673 -1.536) 12.713 18.841 ( -0.345 -9.772 0.163) 9.779 18.841 ( 0.345 9.772 0.163) 9.779 ======================= Grid point 146 (105/148) ======================= q-point: ( 0.33 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -19.015 0.000 5.580) 19.817 2.369 ( -22.363 -0.000 -11.730) 25.252 3.107 ( 0.095 -0.000 -7.614) 7.615 3.196 ( 5.899 -0.000 -3.871) 7.055 3.363 ( -1.409 -0.000 -16.720) 16.779 3.590 ( -0.372 0.000 3.268) 3.290 3.692 ( 2.230 -0.000 -2.328) 3.224 4.075 ( -7.680 0.000 16.002) 17.750 4.475 ( -20.909 0.000 9.412) 22.930 4.627 ( -12.613 -0.000 -7.299) 14.573 4.851 ( -0.403 0.000 4.417) 4.435 6.679 ( -2.516 0.000 9.708) 10.029 7.605 ( -37.388 0.000 -1.630) 37.423 7.794 ( 37.469 -0.000 -3.624) 37.644 8.610 ( -7.306 0.000 0.931) 7.365 9.170 ( 21.954 -0.000 -1.753) 22.024 9.342 ( 5.059 -0.000 -7.594) 9.125 9.416 ( -5.682 -0.000 -3.293) 6.567 9.603 ( 20.864 -0.000 1.517) 20.919 9.805 ( -29.998 0.000 -3.081) 30.156 9.821 ( 7.709 0.000 1.097) 7.787 10.039 ( -3.231 0.000 11.900) 12.331 10.153 ( -3.014 -0.000 -6.343) 7.023 10.566 ( -9.561 0.000 12.938) 16.087 11.166 ( -6.213 -0.000 -9.732) 11.546 11.292 ( -5.566 0.000 -0.449) 5.585 11.548 ( 2.014 0.000 3.433) 3.980 11.672 ( 4.696 -0.000 -5.047) 6.894 12.972 ( 4.615 0.000 3.669) 5.896 13.279 ( -1.015 -0.000 -4.009) 4.136 13.328 ( -1.722 0.000 4.090) 4.438 13.633 ( -5.888 -0.000 -2.501) 6.397 13.735 ( -6.382 0.000 2.277) 6.776 13.971 ( -7.300 -0.000 -6.645) 9.871 15.636 ( 1.697 0.000 1.619) 2.345 15.669 ( 1.837 0.000 2.816) 3.362 15.983 ( -1.086 0.000 4.477) 4.607 16.361 ( 5.517 -0.000 -1.580) 5.739 17.243 ( -22.306 0.000 2.117) 22.406 18.222 ( 9.031 -0.000 -14.644) 17.205 18.782 ( 4.282 0.000 10.047) 10.921 19.302 ( 0.328 0.000 0.996) 1.048 ======================= Grid point 153 (106/148) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.000 -2.915 -24.081) 24.256 1.852 ( -0.000 -0.663 -30.046) 30.053 3.150 ( -0.000 -18.544 -29.658) 34.978 3.326 ( 0.000 -0.844 4.265) 4.348 3.367 ( 0.000 15.883 -3.867) 16.347 3.742 ( -0.000 -4.068 -5.868) 7.140 3.891 ( -0.000 1.424 -14.800) 14.869 3.954 ( 0.000 -9.749 3.697) 10.426 4.029 ( 0.000 -7.389 2.580) 7.827 4.811 ( -0.000 -1.775 -2.430) 3.009 4.812 ( -0.000 -9.545 -13.043) 16.162 5.304 ( -0.000 0.069 -17.721) 17.721 6.624 ( -0.000 7.460 -4.724) 8.830 7.728 ( -0.000 -2.657 0.482) 2.701 7.912 ( 0.000 -0.435 1.821) 1.872 9.085 ( -0.000 -1.113 -1.299) 1.711 9.200 ( 0.000 13.262 15.782) 20.614 9.362 ( -0.000 1.488 -2.768) 3.143 9.757 ( 0.000 1.107 12.026) 12.077 9.979 ( -0.000 13.086 -17.830) 22.117 10.235 ( -0.000 -8.798 0.851) 8.839 10.437 ( 0.000 1.913 2.376) 3.050 10.536 ( -0.000 -12.592 -16.791) 20.988 11.077 ( -0.000 -4.366 -10.367) 11.249 11.274 ( -0.000 4.169 -8.992) 9.911 11.303 ( -0.000 -2.749 -2.259) 3.558 11.618 ( 0.000 -1.448 9.235) 9.348 11.813 ( 0.000 -3.464 7.068) 7.871 12.437 ( -0.000 0.731 -5.334) 5.384 13.249 ( -0.000 -4.298 -0.101) 4.299 13.318 ( -0.000 -0.693 -2.123) 2.233 13.454 ( 0.000 6.484 6.256) 9.010 13.588 ( -0.000 5.240 -13.202) 14.204 14.054 ( -0.000 -13.647 -7.046) 15.358 15.550 ( 0.000 -0.327 1.114) 1.160 15.767 ( 0.000 0.715 1.135) 1.341 15.950 ( -0.000 2.606 -1.129) 2.840 16.310 ( -0.000 8.369 -6.825) 10.799 16.766 ( -0.000 -14.363 -7.635) 16.266 18.643 ( 0.000 0.691 4.941) 4.989 18.724 ( 0.000 1.249 2.869) 3.129 19.269 ( 0.000 1.655 0.875) 1.872 ======================= Grid point 154 (107/148) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 26.321 0.000) 26.321 2.014 ( 0.000 30.639 0.000) 30.639 2.886 ( -0.000 -8.049 -0.000) 8.049 3.261 ( 0.000 18.744 0.000) 18.744 3.630 ( 0.000 24.122 0.000) 24.122 3.835 ( -0.000 -1.252 -0.000) 1.252 4.062 ( 0.000 11.240 0.000) 11.240 4.358 ( 0.000 4.410 0.000) 4.410 4.376 ( -0.000 -1.689 -0.000) 1.689 4.793 ( 0.000 14.260 0.000) 14.260 4.829 ( 0.000 2.076 0.000) 2.076 4.940 ( 0.000 26.254 0.000) 26.254 5.809 ( -0.000 -15.556 -0.000) 15.556 7.886 ( 0.000 1.915 0.000) 1.915 8.045 ( 0.000 1.767 0.000) 1.767 8.998 ( 0.000 11.634 0.000) 11.634 9.233 ( -0.000 -10.341 -0.000) 10.341 9.264 ( -0.000 -9.429 -0.000) 9.429 9.330 ( -0.000 -10.522 -0.000) 10.522 9.937 ( 0.000 2.940 0.000) 2.940 10.000 ( 0.000 8.681 0.000) 8.681 10.309 ( -0.000 -5.528 -0.000) 5.528 10.802 ( 0.000 2.382 0.000) 2.382 11.042 ( 0.000 2.194 0.000) 2.194 11.141 ( 0.000 11.262 0.000) 11.262 11.573 ( 0.000 21.258 0.000) 21.258 12.115 ( -0.000 -8.341 -0.000) 8.341 12.197 ( -0.000 -1.329 -0.000) 1.329 12.208 ( 0.000 7.537 0.000) 7.537 13.204 ( -0.000 -15.715 -0.000) 15.715 13.214 ( -0.000 -5.754 -0.000) 5.754 13.319 ( 0.000 10.266 0.000) 10.266 13.638 ( 0.000 5.750 0.000) 5.750 14.539 ( 0.000 8.571 0.000) 8.571 15.630 ( 0.000 0.508 0.000) 0.508 15.676 ( -0.000 -2.454 -0.000) 2.454 15.750 ( -0.000 -1.996 -0.000) 1.996 15.832 ( 0.000 2.974 0.000) 2.974 17.295 ( 0.000 16.920 0.000) 16.920 18.360 ( -0.000 -4.454 -0.000) 4.454 18.819 ( 0.000 0.649 0.000) 0.649 19.153 ( -0.000 -3.836 -0.000) 3.836 ======================= Grid point 155 (108/148) ======================= q-point: ( 0.19 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 13.803 22.250 0.000) 26.184 2.585 ( 1.813 23.637 0.000) 23.707 2.782 ( 3.961 -5.856 -0.000) 7.070 3.361 ( -5.742 3.290 0.000) 6.618 3.798 ( -2.396 1.114 0.000) 2.642 3.806 ( 1.318 -2.097 -0.000) 2.477 4.330 ( -6.327 -1.552 -0.000) 6.514 4.452 ( 4.340 -0.200 -0.000) 4.345 4.629 ( 3.451 24.483 0.000) 24.725 5.023 ( 14.805 8.667 0.000) 17.155 5.119 ( 1.419 15.756 0.000) 15.820 5.453 ( 5.285 22.133 0.000) 22.755 5.464 ( 0.176 -19.423 -0.000) 19.424 8.062 ( 15.513 -1.346 -0.000) 15.572 8.098 ( 3.978 -0.573 -0.000) 4.019 8.941 ( -7.672 -5.306 -0.000) 9.328 9.000 ( -3.944 -11.904 -0.000) 12.540 9.203 ( 5.713 -6.826 -0.000) 8.901 9.268 ( 1.086 7.452 0.000) 7.530 9.943 ( -8.933 5.657 0.000) 10.574 10.239 ( 4.359 11.059 0.000) 11.887 10.355 ( 9.510 -0.116 -0.000) 9.511 10.734 ( -11.443 -0.262 0.000) 11.446 10.880 ( -12.903 -1.978 -0.000) 13.054 11.306 ( 4.476 2.782 0.000) 5.270 11.899 ( -3.742 -3.763 -0.000) 5.306 12.032 ( -3.885 23.163 0.000) 23.487 12.230 ( 3.974 -9.356 -0.000) 10.165 12.412 ( 5.555 10.163 0.000) 11.583 12.845 ( -2.810 -15.993 -0.000) 16.238 13.167 ( 10.133 -8.097 -0.000) 12.970 13.564 ( 5.105 8.536 0.000) 9.946 13.799 ( 2.302 7.566 0.000) 7.908 14.615 ( -6.179 5.909 0.000) 8.549 15.643 ( -0.165 -0.683 -0.000) 0.703 15.652 ( 2.252 -3.060 -0.000) 3.799 15.710 ( -1.161 0.550 0.000) 1.284 15.894 ( 0.108 3.005 0.000) 3.007 17.641 ( 2.854 14.982 0.000) 15.251 18.228 ( -1.694 -6.815 -0.000) 7.023 18.851 ( 0.081 3.200 0.000) 3.201 19.027 ( -2.685 -6.653 -0.000) 7.175 ======================= Grid point 156 (109/148) ======================= q-point: (-0.31 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 1.199 -0.000 -26.925) 26.951 1.887 ( 3.026 -0.000 -26.568) 26.740 3.113 ( 14.533 -0.000 -29.951) 33.290 3.217 ( -5.804 0.000 4.059) 7.082 3.447 ( -9.370 -0.000 -6.900) 11.637 3.629 ( -6.216 -0.000 -5.039) 8.002 3.829 ( -2.961 0.000 0.965) 3.114 3.986 ( 5.012 0.000 6.833) 8.474 4.062 ( 9.076 -0.000 -14.237) 16.883 4.654 ( -4.175 -0.000 -12.365) 13.050 4.980 ( 18.007 -0.000 -5.328) 18.779 5.364 ( 6.454 -0.000 -12.646) 14.197 6.752 ( 4.791 -0.000 -6.093) 7.751 7.850 ( 13.505 -0.000 0.805) 13.529 8.024 ( 12.216 -0.000 1.362) 12.291 8.989 ( -8.951 0.000 0.245) 8.955 9.308 ( -0.782 0.000 9.160) 9.194 9.408 ( 1.059 0.000 2.237) 2.475 9.717 ( -4.926 0.000 14.809) 15.607 10.097 ( -2.242 -0.000 -3.667) 4.298 10.249 ( 3.067 -0.000 -20.622) 20.849 10.341 ( 2.672 -0.000 -13.523) 13.784 10.468 ( -1.882 0.000 3.804) 4.244 10.983 ( -3.909 -0.000 -10.762) 11.450 11.040 ( -18.313 0.000 0.460) 18.319 11.341 ( -1.268 -0.000 -7.866) 7.967 11.605 ( 2.392 0.000 6.986) 7.384 11.753 ( -3.539 0.000 5.750) 6.752 12.588 ( 11.604 -0.000 -3.403) 12.093 13.193 ( -0.667 0.000 2.939) 3.014 13.358 ( 4.430 -0.000 -4.633) 6.410 13.524 ( 0.562 0.000 5.233) 5.263 13.667 ( -0.013 -0.000 -16.434) 16.434 13.842 ( -3.286 -0.000 -7.067) 7.794 15.600 ( 4.610 0.000 2.234) 5.123 15.756 ( -1.526 0.000 1.185) 1.932 15.993 ( 1.456 -0.000 -1.388) 2.012 16.486 ( -2.301 0.000 6.739) 7.121 16.577 ( 7.009 -0.000 -21.877) 22.972 18.538 ( -7.121 0.000 4.566) 8.460 18.808 ( 3.221 0.000 4.937) 5.894 19.293 ( 0.536 0.000 0.310) 0.619 ======================= Grid point 158 (110/148) ======================= q-point: ( 0.19 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 6.376 14.074 0.000) 15.451 2.801 ( 4.371 -1.959 -0.000) 4.790 2.946 ( 0.088 9.128 0.000) 9.128 3.303 ( -4.771 4.091 0.000) 6.285 3.727 ( -3.889 -1.573 -0.000) 4.195 3.823 ( 4.678 -2.602 -0.000) 5.353 4.099 ( -7.718 -4.969 -0.000) 9.179 4.271 ( -9.824 -10.453 -0.000) 14.345 4.991 ( 8.772 3.494 0.000) 9.442 5.063 ( -1.872 -17.830 -0.000) 17.928 5.355 ( -6.652 9.321 0.000) 11.451 5.742 ( 18.955 18.957 0.000) 26.808 6.062 ( 19.004 16.031 0.000) 24.862 8.216 ( 9.271 0.507 0.000) 9.285 8.383 ( 18.158 -3.141 -0.000) 18.427 8.660 ( -10.649 -4.632 -0.000) 11.613 8.784 ( 2.148 -3.864 -0.000) 4.421 9.263 ( 7.349 -1.243 -0.000) 7.453 9.384 ( -4.921 8.343 0.000) 9.686 9.850 ( -5.631 0.596 0.000) 5.662 10.243 ( -24.374 -1.625 -0.000) 24.428 10.546 ( 2.208 4.434 0.000) 4.953 10.608 ( -2.284 9.175 0.000) 9.455 10.645 ( -1.853 -0.316 -0.000) 1.880 11.444 ( 5.057 0.937 0.000) 5.143 11.766 ( -2.736 -6.455 -0.000) 7.011 11.903 ( -6.615 -17.779 -0.000) 18.969 12.294 ( -0.284 11.990 0.000) 11.993 12.479 ( -3.095 -15.332 -0.000) 15.642 12.813 ( 6.301 14.785 0.000) 16.071 13.305 ( 13.735 -5.171 -0.000) 14.676 13.799 ( 5.386 2.748 0.000) 6.047 13.974 ( 2.008 4.031 0.000) 4.504 14.500 ( -10.070 -0.911 -0.000) 10.111 15.591 ( -2.533 -0.837 -0.000) 2.668 15.635 ( 1.473 -1.996 -0.000) 2.481 15.778 ( 1.160 6.523 0.000) 6.626 15.937 ( -0.699 1.696 0.000) 1.835 17.983 ( 5.549 11.092 0.000) 12.403 18.051 ( -1.934 -7.206 -0.000) 7.461 18.781 ( -5.271 -9.754 -0.000) 11.088 18.961 ( 1.223 6.512 0.000) 6.626 ======================= Grid point 159 (111/148) ======================= q-point: ( 0.19 -0.19 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -9.596 -10.167 -0.000) 13.980 2.841 ( -9.262 3.129 0.000) 9.776 3.018 ( 5.609 -0.520 -0.000) 5.633 3.374 ( -1.336 7.709 0.000) 7.824 3.570 ( -6.929 -6.059 -0.000) 9.205 3.829 ( 5.747 -10.425 -0.000) 11.904 3.875 ( -2.807 -8.879 -0.000) 9.312 3.922 ( -6.644 1.864 0.000) 6.901 4.727 ( -2.288 -10.814 -0.000) 11.054 5.059 ( -1.321 -5.111 -0.000) 5.279 5.172 ( -20.689 1.079 0.000) 20.717 6.290 ( 2.981 14.597 0.000) 14.898 6.892 ( 40.249 6.114 0.000) 40.711 8.224 ( -23.973 0.446 0.000) 23.977 8.559 ( 1.959 2.608 0.000) 3.262 8.591 ( 16.605 4.504 0.000) 17.205 9.045 ( 20.601 2.657 0.000) 20.772 9.406 ( -5.905 5.342 0.000) 7.963 9.411 ( 5.907 1.312 0.000) 6.050 9.769 ( 1.773 -3.359 -0.000) 3.798 9.808 ( -18.288 4.467 0.000) 18.826 10.342 ( -11.456 -5.307 -0.000) 12.625 10.557 ( -7.881 2.552 0.000) 8.284 10.955 ( 2.158 12.577 0.000) 12.761 11.225 ( -10.682 -25.450 -0.000) 27.601 11.518 ( 2.856 -1.527 -0.000) 3.239 11.632 ( -4.492 -6.252 -0.000) 7.698 12.122 ( -2.383 -14.961 -0.000) 15.149 12.576 ( 6.887 9.443 0.000) 11.688 13.164 ( 4.080 9.462 0.000) 10.305 13.419 ( 7.367 -5.687 -0.000) 9.306 13.821 ( -0.589 -5.609 -0.000) 5.640 13.974 ( -4.354 -2.129 -0.000) 4.846 14.246 ( -11.250 -1.073 -0.000) 11.301 15.557 ( -0.482 1.185 0.000) 1.279 15.634 ( 1.398 -1.199 -0.000) 1.842 15.939 ( -1.003 0.647 0.000) 1.194 15.994 ( 2.926 10.341 0.000) 10.747 17.827 ( -8.250 -8.060 -0.000) 11.534 18.294 ( 6.125 8.574 0.000) 10.537 18.504 ( -1.052 -8.741 -0.000) 8.805 19.127 ( 1.593 6.617 0.000) 6.807 ======================= Grid point 161 (112/148) ======================= q-point: (-0.31 -0.19 0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -0.000 14.827 0.000) 14.827 2.956 ( -0.000 0.124 0.000) 0.124 3.006 ( -0.000 6.346 0.000) 6.346 3.216 ( -0.000 -2.580 0.000) 2.580 3.636 ( -0.000 7.632 0.000) 7.632 3.800 ( 0.000 2.766 0.000) 2.766 4.036 ( -0.000 8.641 0.000) 8.641 4.226 ( -0.000 -3.560 0.000) 3.560 4.386 ( -0.000 6.273 -0.000) 6.273 4.692 ( -0.000 -7.010 0.000) 7.010 5.318 ( -0.000 20.429 0.000) 20.429 6.259 ( -0.000 -22.853 0.000) 22.853 7.524 ( 0.000 1.120 -0.000) 1.120 7.588 ( -0.000 -1.640 0.000) 1.640 8.476 ( -0.000 -0.970 0.000) 0.970 8.643 ( -0.000 -7.940 0.000) 7.940 9.376 ( -0.000 3.625 0.000) 3.625 9.527 ( -0.000 5.237 0.000) 5.237 9.597 ( 0.000 -6.252 -0.000) 6.252 9.709 ( 0.000 -1.582 -0.000) 1.582 9.824 ( -0.000 1.885 0.000) 1.885 9.928 ( -0.000 -6.472 0.000) 6.472 10.454 ( -0.000 3.974 -0.000) 3.974 10.520 ( -0.000 -1.504 0.000) 1.504 11.583 ( -0.000 5.384 0.000) 5.384 11.657 ( -0.000 1.434 -0.000) 1.434 11.928 ( -0.000 22.755 -0.000) 22.755 12.090 ( -0.000 13.173 0.000) 13.173 12.619 ( -0.000 -13.038 -0.000) 13.038 12.795 ( -0.000 -18.251 0.000) 18.251 13.615 ( -0.000 5.988 -0.000) 5.988 13.747 ( -0.000 -0.207 0.000) 0.207 13.985 ( 0.000 6.901 0.000) 6.901 14.033 ( -0.000 5.456 0.000) 5.456 15.629 ( -0.000 -1.680 0.000) 1.680 15.636 ( -0.000 -2.323 0.000) 2.323 15.920 ( -0.000 -3.678 0.000) 3.678 15.940 ( 0.000 -4.847 0.000) 4.847 17.830 ( -0.000 13.451 0.000) 13.451 18.277 ( -0.000 -2.911 0.000) 2.911 18.680 ( -0.000 3.065 0.000) 3.065 19.033 ( -0.000 -9.035 0.000) 9.035 ======================= Grid point 163 (113/148) ======================= q-point: ( 0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -17.997 -18.094 -0.000) 25.520 2.515 ( -22.823 -1.702 -0.000) 22.887 3.175 ( 4.887 3.600 0.000) 6.070 3.286 ( -1.413 -8.151 -0.000) 8.272 3.525 ( -0.611 9.578 0.000) 9.597 3.656 ( 2.726 -12.908 -0.000) 13.193 3.791 ( -9.069 -0.713 -0.000) 9.096 3.828 ( 4.875 -4.044 -0.000) 6.334 4.401 ( -24.491 -3.268 -0.000) 24.709 4.789 ( -9.672 -8.179 -0.000) 12.667 4.813 ( -6.693 -0.527 -0.000) 6.714 6.505 ( -2.102 7.298 0.000) 7.594 7.593 ( -39.977 2.657 0.000) 40.065 7.801 ( 39.438 2.850 0.000) 39.541 8.575 ( -6.508 2.451 0.000) 6.954 9.110 ( 20.698 7.136 0.000) 21.894 9.422 ( 2.304 1.524 0.000) 2.762 9.429 ( -2.498 2.533 0.000) 3.558 9.571 ( 20.225 1.217 0.000) 20.261 9.648 ( -16.885 9.780 0.000) 19.513 9.888 ( 15.797 -2.424 -0.000) 15.982 9.945 ( -18.506 -4.050 -0.000) 18.944 10.377 ( -10.808 0.143 0.000) 10.809 10.549 ( -5.203 -23.010 -0.000) 23.591 11.152 ( -4.692 8.495 0.000) 9.705 11.389 ( -5.965 -6.941 -0.000) 9.151 11.528 ( 2.606 -1.931 -0.000) 3.244 11.842 ( 1.484 -10.601 -0.000) 10.705 12.873 ( 5.810 5.899 0.000) 8.280 13.303 ( -0.128 -0.124 -0.000) 0.179 13.377 ( -0.237 -5.188 -0.000) 5.193 13.667 ( -3.357 -2.340 -0.000) 4.092 13.751 ( -10.682 -3.628 -0.000) 11.282 14.032 ( -9.552 0.438 0.000) 9.562 15.609 ( 2.445 1.332 0.000) 2.784 15.643 ( 1.384 -0.699 -0.000) 1.550 15.934 ( -0.366 0.390 0.000) 0.535 16.263 ( 3.298 9.941 0.000) 10.474 17.343 ( -20.195 -10.671 -0.000) 22.841 18.463 ( 6.984 -2.878 -0.000) 7.554 18.553 ( 5.017 5.976 0.000) 7.803 19.254 ( 0.612 3.634 0.000) 3.685 ======================= Grid point 164 (114/148) ======================= q-point: ( 0.19 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -23.614 0.000 -0.000) 23.614 1.954 ( -29.196 0.000 -0.000) 29.196 3.128 ( -23.091 0.000 -0.000) 23.091 3.225 ( 1.228 -0.000 0.000) 1.228 3.503 ( -6.511 0.000 -0.000) 6.511 3.625 ( -0.762 0.000 -0.000) 0.762 3.656 ( 0.123 -0.000 0.000) 0.123 3.877 ( -12.977 0.000 -0.000) 12.977 3.883 ( 9.223 -0.000 0.000) 9.223 4.482 ( -10.895 0.000 -0.000) 10.895 4.767 ( -1.501 0.000 -0.000) 1.501 6.504 ( -4.948 0.000 -0.000) 4.948 6.779 ( -43.427 0.000 -0.000) 43.427 8.407 ( -11.060 0.000 -0.000) 11.060 8.485 ( 23.213 -0.000 0.000) 23.213 9.163 ( -35.114 0.000 -0.000) 35.114 9.392 ( 0.619 -0.000 0.000) 0.619 9.531 ( 5.260 -0.000 0.000) 5.260 9.625 ( 19.284 -0.000 0.000) 19.284 9.702 ( -3.975 0.000 -0.000) 3.975 9.875 ( 3.143 -0.000 0.000) 3.143 10.224 ( 18.091 -0.000 0.000) 18.091 10.249 ( -0.685 0.000 -0.000) 0.685 10.260 ( 3.830 -0.000 0.000) 3.830 11.084 ( -9.407 0.000 -0.000) 9.407 11.183 ( -5.025 0.000 -0.000) 5.025 11.589 ( 6.176 -0.000 0.000) 6.176 11.807 ( 4.052 -0.000 0.000) 4.052 12.972 ( -2.631 0.000 -0.000) 2.631 13.240 ( -2.758 0.000 -0.000) 2.758 13.252 ( -5.294 0.000 -0.000) 5.294 13.466 ( -12.757 0.000 -0.000) 12.757 13.610 ( -1.229 0.000 -0.000) 1.229 13.883 ( -6.434 0.000 -0.000) 6.434 15.665 ( 1.634 -0.000 0.000) 1.634 15.682 ( 3.256 -0.000 0.000) 3.256 15.938 ( 0.142 -0.000 0.000) 0.142 16.482 ( 4.945 -0.000 0.000) 4.945 16.707 ( -26.885 0.000 -0.000) 26.885 18.594 ( 7.488 -0.000 0.000) 7.488 18.706 ( 3.591 -0.000 0.000) 3.591 19.290 ( -0.530 0.000 -0.000) 0.530 ======================= Grid point 165 (115/148) ======================= q-point: (-0.31 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -10.881 -0.000 0.000) 10.881 2.909 ( 0.190 -0.000 -0.000) 0.190 2.968 ( -12.022 0.000 0.000) 12.022 3.091 ( -5.924 -0.000 0.000) 5.924 3.555 ( -7.205 0.000 0.000) 7.205 4.016 ( 11.572 -0.000 0.000) 11.572 4.104 ( -2.962 0.000 0.000) 2.962 4.311 ( 7.456 0.000 0.000) 7.456 4.495 ( 3.068 0.000 0.000) 3.068 4.696 ( 10.889 -0.000 0.000) 10.889 5.714 ( -3.891 -0.000 0.000) 3.891 5.830 ( 2.299 0.000 -0.000) 2.299 6.606 ( -48.669 0.000 0.000) 48.669 8.209 ( 14.712 0.000 0.000) 14.712 8.421 ( -7.086 0.000 -0.000) 7.086 8.650 ( 16.770 0.000 0.000) 16.770 9.207 ( -26.504 0.000 0.000) 26.504 9.309 ( -7.285 -0.000 0.000) 7.285 9.587 ( 3.711 0.000 -0.000) 3.711 9.609 ( -3.037 -0.000 0.000) 3.037 10.056 ( 7.890 -0.000 -0.000) 7.890 10.080 ( 18.602 0.000 0.000) 18.602 10.544 ( 4.699 -0.000 0.000) 4.699 10.583 ( 7.396 0.000 0.000) 7.396 11.535 ( -6.494 0.000 0.000) 6.494 11.747 ( 4.402 0.000 0.000) 4.402 12.123 ( -12.013 0.000 -0.000) 12.013 12.280 ( -5.976 0.000 0.000) 5.976 12.487 ( 5.270 -0.000 -0.000) 5.270 12.534 ( 6.934 0.000 0.000) 6.934 13.631 ( -5.805 0.000 0.000) 5.805 13.685 ( -4.071 -0.000 0.000) 4.071 13.840 ( -11.698 0.000 0.000) 11.698 14.300 ( 10.388 0.000 0.000) 10.388 15.602 ( -0.032 0.000 0.000) 0.032 15.645 ( 2.256 0.000 0.000) 2.256 15.824 ( -2.143 0.000 0.000) 2.143 15.964 ( 3.679 0.000 0.000) 3.679 17.889 ( -10.772 0.000 0.000) 10.772 18.202 ( 1.524 0.000 0.000) 1.524 18.833 ( 2.980 0.000 0.000) 2.980 18.918 ( 4.154 0.000 0.000) 4.154 ======================= Grid point 171 (116/148) ======================= q-point: (-0.46 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -0.000 -3.443 -16.544) 16.899 2.438 ( -0.000 -2.756 -27.187) 27.326 3.006 ( 0.000 20.832 1.877) 20.917 3.239 ( 0.000 6.407 -1.577) 6.599 3.584 ( -0.000 -3.479 -5.939) 6.883 3.959 ( -0.000 2.174 -6.463) 6.818 4.117 ( 0.000 -15.761 6.018) 16.870 4.161 ( -0.000 -3.966 -3.124) 5.049 4.446 ( -0.000 -17.412 -19.538) 26.171 4.861 ( -0.000 -1.303 0.158) 1.313 5.229 ( -0.000 -9.805 -6.473) 11.749 5.552 ( -0.000 4.948 -10.483) 11.592 6.428 ( 0.000 16.498 1.047) 16.531 7.796 ( -0.000 -3.649 -0.536) 3.688 7.898 ( 0.000 -1.804 0.620) 1.908 8.655 ( 0.000 12.819 8.238) 15.238 8.989 ( 0.000 -2.068 8.211) 8.468 9.507 ( 0.000 -0.977 14.674) 14.707 9.523 ( -0.000 2.325 -11.121) 11.362 10.053 ( -0.000 13.376 -17.373) 21.926 10.172 ( 0.000 4.916 4.966) 6.988 10.555 ( -0.000 -12.806 1.571) 12.902 10.820 ( -0.000 0.495 -0.552) 0.742 11.265 ( -0.000 0.104 -4.521) 4.522 11.402 ( 0.000 5.458 10.838) 12.135 11.561 ( -0.000 -11.351 -9.270) 14.655 11.587 ( -0.000 -8.858 -16.509) 18.736 11.800 ( -0.000 -4.570 -0.493) 4.597 12.515 ( -0.000 0.417 -4.363) 4.382 13.133 ( 0.000 13.141 7.193) 14.980 13.157 ( 0.000 -5.227 13.066) 14.073 13.516 ( -0.000 -0.508 -9.394) 9.408 13.725 ( -0.000 6.625 -13.770) 15.280 14.434 ( -0.000 -10.101 -6.679) 12.110 15.546 ( 0.000 -0.939 0.498) 1.063 15.722 ( 0.000 0.820 1.774) 1.954 15.893 ( 0.000 3.961 0.502) 3.992 16.190 ( 0.000 4.881 3.857) 6.221 17.272 ( -0.000 -11.976 -15.477) 19.569 18.409 ( 0.000 9.038 5.800) 10.739 18.782 ( -0.000 -8.259 2.099) 8.522 19.173 ( 0.000 3.481 4.068) 5.354 ======================= Grid point 174 (117/148) ======================= q-point: (-0.46 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 0.276 0.818 -22.308) 22.325 2.445 ( 5.924 -7.804 -19.329) 21.670 3.182 ( -3.915 -3.112 2.321) 5.513 3.349 ( -4.944 9.325 -1.619) 10.678 3.544 ( -1.344 2.489 -8.071) 8.553 3.850 ( -0.435 -7.931 4.694) 9.226 3.958 ( -6.347 -5.645 -3.693) 9.262 4.005 ( 1.417 -4.645 -15.191) 15.949 4.312 ( 7.291 -1.858 -13.095) 15.102 4.913 ( -1.370 -6.176 -1.798) 6.577 5.127 ( 18.266 -2.638 -11.992) 22.010 5.588 ( -3.787 3.763 -12.677) 13.755 6.735 ( 4.772 9.155 -1.200) 10.393 7.879 ( 13.661 -2.837 -0.604) 13.965 7.990 ( 11.839 -0.181 1.890) 11.990 8.807 ( -6.394 3.404 11.874) 13.909 9.028 ( 4.609 4.420 11.247) 12.933 9.435 ( -5.225 0.916 7.986) 9.588 9.537 ( -1.375 0.046 -6.123) 6.276 10.201 ( -1.345 -3.020 1.968) 3.848 10.341 ( -1.905 6.561 -6.879) 9.695 10.384 ( 1.642 4.645 -6.899) 8.478 10.688 ( -8.902 -2.360 -2.239) 9.477 11.165 ( -14.578 -4.152 -11.135) 18.808 11.254 ( -0.910 -5.316 -9.000) 10.492 11.469 ( -1.424 1.660 0.585) 2.264 11.532 ( 1.516 -2.934 -4.536) 5.611 11.688 ( -1.029 -5.053 2.693) 5.818 12.631 ( 7.738 1.314 -1.849) 8.064 13.071 ( 2.231 -3.328 10.859) 11.575 13.348 ( 1.802 5.763 5.928) 8.462 13.533 ( 3.329 -1.852 -8.222) 9.062 13.851 ( -1.052 6.608 -13.521) 15.086 14.185 ( -3.518 -10.259 -11.316) 15.674 15.565 ( 3.000 -0.219 1.553) 3.385 15.717 ( -1.728 0.512 2.204) 2.847 15.981 ( 1.604 3.324 -0.737) 3.763 16.276 ( -1.396 4.444 7.239) 8.608 17.107 ( 4.889 -8.289 -20.914) 23.022 18.494 ( -4.035 -2.845 6.328) 8.026 18.658 ( 0.699 1.872 4.883) 5.276 19.242 ( 0.616 2.797 2.335) 3.695 ======================= Grid point 175 (118/148) ======================= q-point: (-0.46 -0.21 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 3.413 -0.000 -23.338) 23.586 2.335 ( -0.832 -0.000 -15.055) 15.078 3.041 ( -4.475 0.000 1.172) 4.626 3.306 ( -8.911 -0.000 -2.310) 9.205 3.392 ( -11.692 -0.000 -11.251) 16.227 3.724 ( -3.379 0.000 2.516) 4.213 3.738 ( -4.524 -0.000 -1.037) 4.642 4.232 ( 13.825 -0.000 -11.488) 17.975 4.364 ( 1.745 -0.000 -3.305) 3.737 4.779 ( -3.056 -0.000 -8.623) 9.148 5.378 ( -6.197 -0.000 -8.678) 10.663 5.856 ( 36.303 -0.000 -5.008) 36.647 6.928 ( 4.402 -0.000 0.186) 4.406 8.178 ( 17.744 -0.000 -2.298) 17.892 8.365 ( 24.080 -0.000 3.196) 24.291 8.626 ( -12.678 0.000 7.219) 14.589 9.163 ( 1.764 0.000 5.315) 5.600 9.356 ( -4.844 0.000 11.067) 12.081 9.502 ( -0.920 -0.000 -7.318) 7.376 10.125 ( -0.862 -0.000 -2.628) 2.766 10.148 ( -17.917 0.000 7.691) 19.498 10.483 ( -4.739 0.000 3.563) 5.929 10.518 ( -9.330 -0.000 -10.430) 13.994 10.938 ( -1.973 -0.000 -19.348) 19.448 11.070 ( -5.979 -0.000 -5.491) 8.118 11.445 ( -1.890 -0.000 -7.323) 7.563 11.533 ( -5.311 0.000 5.607) 7.723 11.570 ( 1.382 0.000 2.459) 2.821 12.811 ( 7.960 0.000 3.734) 8.792 13.119 ( 4.406 0.000 2.480) 5.056 13.433 ( 1.019 0.000 5.876) 5.964 13.579 ( 3.923 -0.000 -5.678) 6.902 13.906 ( -4.119 -0.000 -6.704) 7.868 13.968 ( -3.354 -0.000 -17.396) 17.716 15.633 ( 3.069 0.000 2.803) 4.156 15.687 ( -1.232 0.000 2.775) 3.036 16.068 ( 3.088 -0.000 -0.617) 3.150 16.279 ( -2.597 0.000 8.059) 8.467 17.180 ( 10.097 -0.000 -21.693) 23.928 18.264 ( -12.176 0.000 2.986) 12.536 18.769 ( 4.784 0.000 8.280) 9.563 19.291 ( 1.098 0.000 1.517) 1.872 ======================= Grid point 187 (119/148) ======================= q-point: ( 0.40 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 0.000 16.511 -3.561) 16.890 2.590 ( -0.000 2.801 -1.526) 3.189 2.834 ( -0.000 11.234 -14.744) 18.536 3.224 ( -0.000 2.906 -13.291) 13.605 3.747 ( -0.000 -1.463 -6.406) 6.571 3.931 ( 0.000 -0.320 7.707) 7.714 4.280 ( -0.000 -1.358 -3.804) 4.040 4.297 ( -0.000 -8.471 1.075) 8.539 4.869 ( 0.000 -0.207 0.254) 0.328 4.988 ( -0.000 -10.333 -7.683) 12.877 5.288 ( 0.000 3.327 7.418) 8.130 5.446 ( 0.000 13.524 1.252) 13.581 5.940 ( 0.000 23.509 6.109) 24.290 7.862 ( -0.000 -2.616 -0.073) 2.617 7.986 ( -0.000 -3.371 -2.725) 4.335 8.592 ( -0.000 -3.165 -12.082) 12.490 8.953 ( 0.000 -6.114 3.579) 7.085 9.253 ( 0.000 -4.267 17.068) 17.593 9.518 ( 0.000 12.134 -2.156) 12.324 10.083 ( -0.000 -3.319 0.638) 3.380 10.099 ( -0.000 13.516 -15.786) 20.782 10.649 ( 0.000 9.186 10.319) 13.816 10.736 ( -0.000 -8.118 1.642) 8.283 11.109 ( 0.000 1.493 7.300) 7.451 11.299 ( -0.000 1.840 -1.514) 2.382 11.818 ( -0.000 -5.989 0.030) 5.989 11.946 ( -0.000 -8.240 -8.192) 11.620 12.185 ( -0.000 -3.660 -18.973) 19.323 12.593 ( 0.000 4.562 -1.170) 4.709 12.702 ( 0.000 8.979 5.756) 10.666 13.008 ( 0.000 -7.302 14.082) 15.862 13.612 ( -0.000 4.681 -4.492) 6.488 13.823 ( -0.000 6.896 -9.580) 11.804 14.667 ( -0.000 -2.616 -4.253) 4.993 15.571 ( -0.000 -1.730 -0.430) 1.783 15.676 ( 0.000 0.559 1.581) 1.677 15.786 ( 0.000 3.916 1.781) 4.302 16.012 ( 0.000 2.707 6.064) 6.641 17.711 ( -0.000 -0.879 -12.153) 12.185 18.157 ( 0.000 2.820 3.989) 4.885 18.921 ( -0.000 -8.222 1.038) 8.287 18.995 ( 0.000 4.353 5.667) 7.146 ======================= Grid point 190 (120/148) ======================= q-point: (-0.60 -0.23 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 4.149 -2.073 -11.896) 12.768 2.862 ( -1.036 2.583 -11.273) 11.612 3.051 ( 5.154 12.765 -1.247) 13.823 3.249 ( -1.611 -1.420 -3.595) 4.188 3.685 ( -3.146 -0.727 -6.463) 7.225 3.876 ( 0.026 -6.286 9.310) 11.233 4.103 ( -4.635 -1.096 -6.229) 7.841 4.259 ( -3.576 -7.605 -1.182) 8.487 4.662 ( 2.164 -6.667 -9.555) 11.850 4.957 ( 1.523 -6.169 5.782) 8.591 5.397 ( 15.539 -0.144 -7.009) 17.047 5.643 ( -6.057 9.648 -6.311) 13.023 6.420 ( 2.069 20.543 3.237) 20.899 7.955 ( 13.820 -2.962 -0.512) 14.143 8.001 ( 9.372 -2.790 -0.388) 9.786 8.595 ( 0.108 2.109 -1.064) 2.365 8.856 ( 0.970 -3.679 6.973) 7.944 9.214 ( 0.691 -0.404 11.985) 12.012 9.656 ( -5.425 7.126 -8.208) 12.149 10.026 ( -4.265 3.310 6.209) 8.228 10.416 ( 2.716 10.409 -13.406) 17.189 10.526 ( -0.606 -10.387 0.299) 10.409 10.674 ( -11.431 1.999 0.656) 11.623 11.094 ( -7.898 10.938 9.150) 16.301 11.372 ( 3.270 1.184 -1.837) 3.933 11.607 ( -7.010 -12.724 -5.476) 15.525 11.735 ( -0.654 -6.042 -1.873) 6.359 12.045 ( -0.939 -11.202 -17.239) 20.580 12.584 ( -0.595 0.599 5.275) 5.343 12.943 ( 6.597 2.028 4.584) 8.285 13.080 ( 7.113 6.324 8.049) 12.465 13.694 ( 2.807 -0.209 -5.213) 5.924 13.953 ( 0.084 5.263 -8.893) 10.334 14.528 ( -4.702 -5.726 -7.139) 10.289 15.559 ( 1.787 -1.180 0.325) 2.166 15.666 ( -2.101 0.538 1.742) 2.782 15.895 ( 1.045 5.958 -0.045) 6.049 16.058 ( -0.596 2.526 7.628) 8.057 17.639 ( 2.680 -6.828 -18.517) 19.917 18.269 ( 1.763 5.281 11.114) 12.431 18.706 ( -4.503 -8.410 0.668) 9.563 19.101 ( 0.777 5.511 3.474) 6.561 ======================= Grid point 191 (121/148) ======================= q-point: (-0.60 -0.23 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -1.751 -1.900 -13.658) 13.900 2.733 ( 1.721 -9.410 -6.493) 11.561 3.120 ( -2.526 -1.141 -0.402) 2.801 3.278 ( -6.022 4.566 -6.547) 9.998 3.580 ( -4.425 -3.190 -3.659) 6.569 3.761 ( -1.279 -4.118 2.117) 4.804 3.823 ( -10.327 -6.654 -1.987) 12.445 4.196 ( -2.355 9.317 -1.598) 9.742 4.574 ( 1.391 -8.919 -2.536) 9.377 4.897 ( 1.832 -3.310 -1.150) 3.954 5.531 ( -15.899 3.184 -9.393) 18.739 5.947 ( 34.521 1.173 -5.442) 34.967 6.769 ( 2.026 10.371 4.721) 11.574 8.226 ( 17.437 0.125 -2.007) 17.553 8.305 ( 19.849 0.312 0.920) 19.873 8.547 ( -3.972 -3.365 5.167) 7.335 8.981 ( 6.817 7.268 5.909) 11.585 9.218 ( 1.502 -1.907 3.255) 4.060 9.636 ( -5.022 3.072 -8.356) 10.222 9.952 ( -13.253 2.909 8.429) 15.973 10.279 ( -4.206 -9.075 0.406) 10.011 10.321 ( -11.701 2.699 4.681) 12.888 10.682 ( -7.209 5.873 -12.440) 15.531 11.148 ( -10.383 -0.279 -8.381) 13.346 11.184 ( -7.628 1.540 4.054) 8.775 11.449 ( 3.036 -0.692 0.360) 3.134 11.593 ( -3.700 -4.268 -2.236) 6.074 11.776 ( -0.945 -13.348 -9.573) 16.453 12.647 ( 5.642 2.092 9.333) 11.105 13.131 ( 9.183 -0.699 -1.668) 9.360 13.296 ( 3.157 3.766 4.613) 6.740 13.697 ( 1.550 -3.253 -3.151) 4.787 13.995 ( -3.564 1.887 -6.136) 7.343 14.307 ( -7.380 -3.247 -10.849) 13.516 15.589 ( 2.145 -0.130 1.402) 2.566 15.632 ( -1.725 0.425 2.354) 2.950 16.009 ( 0.629 1.494 3.676) 4.017 16.121 ( 1.366 5.007 3.388) 6.198 17.605 ( 4.559 -4.008 -17.127) 18.171 18.290 ( -6.405 -3.905 1.157) 7.590 18.555 ( 2.381 1.252 9.665) 10.032 19.221 ( 1.403 3.794 1.802) 4.428 ======================= Grid point 194 (122/148) ======================= q-point: ( 0.40 -0.23 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -14.324 0.000 1.140) 14.369 2.692 ( -7.071 -0.000 -19.221) 20.480 3.089 ( 0.852 -0.000 -6.935) 6.987 3.144 ( -3.714 0.000 2.144) 4.288 3.440 ( -4.899 -0.000 -11.276) 12.294 3.631 ( -4.018 -0.000 -1.739) 4.378 3.673 ( -1.322 -0.000 -1.112) 1.727 4.224 ( -7.229 0.000 11.145) 13.284 4.549 ( 4.428 -0.000 -1.168) 4.579 4.841 ( -2.532 -0.000 -1.697) 3.048 5.143 ( -24.584 -0.000 -3.908) 24.893 6.611 ( 17.476 0.000 6.089) 18.506 7.036 ( 25.444 -0.000 -1.671) 25.499 8.245 ( -21.990 0.000 0.705) 22.001 8.600 ( 12.403 -0.000 -3.396) 12.859 8.741 ( 19.861 0.000 3.650) 20.194 9.235 ( 11.101 0.000 3.507) 11.642 9.260 ( 5.298 -0.000 -7.467) 9.155 9.591 ( -7.911 -0.000 -6.877) 10.482 9.680 ( -2.730 0.000 9.114) 9.514 10.145 ( -2.530 -0.000 -1.276) 2.834 10.184 ( -8.686 0.000 10.481) 13.612 10.383 ( -20.728 -0.000 -9.757) 22.910 10.802 ( -13.552 0.000 9.763) 16.702 11.262 ( -3.262 -0.000 -14.456) 14.819 11.402 ( -4.968 0.000 -0.574) 5.001 11.531 ( -0.373 0.000 2.864) 2.888 11.590 ( 3.204 -0.000 -5.392) 6.272 12.834 ( 8.367 0.000 6.560) 10.632 13.254 ( 3.826 -0.000 -3.807) 5.397 13.348 ( -0.227 0.000 3.782) 3.788 13.680 ( 0.071 -0.000 -0.754) 0.758 13.889 ( -7.601 -0.000 -3.146) 8.226 14.126 ( -7.868 -0.000 -10.081) 12.788 15.614 ( 0.308 0.000 1.963) 1.987 15.636 ( 1.613 0.000 2.736) 3.175 16.006 ( -1.120 0.000 6.098) 6.200 16.255 ( 4.854 -0.000 -0.958) 4.947 17.570 ( -7.804 -0.000 -5.446) 9.517 18.114 ( -0.704 -0.000 -11.298) 11.320 18.681 ( 5.557 0.000 11.764) 13.010 19.286 ( 1.163 0.000 1.265) 1.718 ======================= Grid point 203 (123/148) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 26.423 0.000) 26.423 2.567 ( 0.000 25.152 0.000) 25.152 2.738 ( -0.000 -6.825 -0.000) 6.825 3.425 ( 0.000 3.511 0.000) 3.511 3.793 ( -0.000 -2.867 -0.000) 2.867 3.832 ( 0.000 1.383 0.000) 1.383 4.347 ( -0.000 -1.275 -0.000) 1.275 4.400 ( -0.000 -0.748 -0.000) 0.748 4.635 ( 0.000 34.939 0.000) 34.939 4.862 ( 0.000 1.079 0.000) 1.079 5.097 ( 0.000 16.459 0.000) 16.459 5.415 ( 0.000 22.355 0.000) 22.355 5.464 ( -0.000 -18.658 -0.000) 18.658 7.899 ( -0.000 -0.685 -0.000) 0.685 8.058 ( -0.000 -0.643 -0.000) 0.643 9.025 ( -0.000 -10.685 -0.000) 10.685 9.080 ( -0.000 -9.002 -0.000) 9.002 9.102 ( -0.000 -10.377 -0.000) 10.377 9.250 ( 0.000 13.896 0.000) 13.896 10.100 ( 0.000 12.316 0.000) 12.316 10.192 ( -0.000 -6.100 -0.000) 6.100 10.193 ( 0.000 10.747 0.000) 10.747 10.813 ( -0.000 -1.731 -0.000) 1.731 11.062 ( -0.000 -0.203 -0.000) 0.203 11.259 ( 0.000 3.422 0.000) 3.422 11.956 ( -0.000 -7.713 -0.000) 7.713 12.086 ( 0.000 27.389 0.000) 27.389 12.157 ( -0.000 -3.283 -0.000) 3.283 12.343 ( 0.000 5.864 0.000) 5.864 12.888 ( -0.000 -15.369 -0.000) 15.369 13.049 ( -0.000 -10.553 -0.000) 10.553 13.511 ( 0.000 8.944 0.000) 8.944 13.775 ( 0.000 7.577 0.000) 7.577 14.680 ( 0.000 5.017 0.000) 5.017 15.626 ( -0.000 -2.579 -0.000) 2.579 15.643 ( 0.000 0.740 0.000) 0.740 15.723 ( -0.000 -0.060 -0.000) 0.060 15.892 ( 0.000 2.947 0.000) 2.947 17.613 ( 0.000 14.930 0.000) 14.930 18.247 ( -0.000 -6.984 -0.000) 6.984 18.849 ( 0.000 2.710 0.000) 2.710 19.055 ( -0.000 -6.137 -0.000) 6.137 ======================= Grid point 204 (124/148) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.000 -0.000 -25.170) 25.170 1.857 ( -0.000 -0.000 -27.995) 27.995 2.944 ( -0.000 -0.000 -41.636) 41.636 3.277 ( 0.000 0.000 7.079) 7.079 3.571 ( -0.000 -0.000 -9.729) 9.729 3.705 ( -0.000 -0.000 -2.335) 2.335 3.856 ( 0.000 0.000 3.196) 3.196 3.910 ( 0.000 0.000 7.559) 7.559 3.946 ( -0.000 -0.000 -18.651) 18.651 4.705 ( -0.000 -0.000 -11.733) 11.733 4.792 ( -0.000 -0.000 -2.895) 2.895 5.307 ( -0.000 -0.000 -18.741) 18.741 6.699 ( -0.000 -0.000 -5.251) 5.251 7.700 ( 0.000 0.000 0.559) 0.559 7.908 ( 0.000 0.000 1.721) 1.721 9.074 ( -0.000 -0.000 -2.510) 2.510 9.341 ( 0.000 0.000 15.536) 15.536 9.379 ( -0.000 -0.000 -1.270) 1.270 9.767 ( 0.000 0.000 15.702) 15.702 10.127 ( -0.000 -0.000 -0.624) 0.624 10.213 ( -0.000 -0.000 -20.695) 20.695 10.303 ( -0.000 -0.000 -18.243) 18.243 10.477 ( 0.000 0.000 2.346) 2.346 11.026 ( -0.000 -0.000 -10.620) 10.620 11.279 ( -0.000 -0.000 -1.503) 1.503 11.354 ( -0.000 -0.000 -8.175) 8.175 11.563 ( 0.000 0.000 10.250) 10.250 11.789 ( 0.000 0.000 5.281) 5.281 12.445 ( -0.000 -0.000 -5.488) 5.488 13.200 ( 0.000 0.000 1.561) 1.561 13.311 ( -0.000 -0.000 -2.488) 2.488 13.517 ( 0.000 0.000 6.095) 6.095 13.667 ( -0.000 -0.000 -17.992) 17.992 13.881 ( -0.000 -0.000 -6.413) 6.413 15.546 ( 0.000 0.000 1.210) 1.210 15.775 ( 0.000 0.000 1.219) 1.219 15.978 ( -0.000 -0.000 -1.032) 1.032 16.506 ( -0.000 -0.000 -22.447) 22.447 16.510 ( 0.000 0.000 6.795) 6.795 18.611 ( 0.000 0.000 5.001) 5.001 18.774 ( 0.000 0.000 4.770) 4.770 19.288 ( 0.000 0.000 0.421) 0.421 ======================= Grid point 206 (125/148) ======================= q-point: ( 0.25 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 7.277 22.065 0.000) 23.234 2.686 ( 5.470 -3.821 -0.000) 6.673 2.960 ( -0.776 13.079 0.000) 13.102 3.394 ( -4.040 0.032 0.000) 4.040 3.752 ( 2.331 -3.348 -0.000) 4.079 3.807 ( -3.580 0.476 0.000) 3.611 4.248 ( -6.243 -6.117 -0.000) 8.740 4.394 ( 1.147 -4.790 -0.000) 4.925 4.815 ( 2.922 0.136 0.000) 2.925 5.103 ( -1.945 -15.932 -0.000) 16.051 5.332 ( 16.321 14.118 0.000) 21.580 5.426 ( -1.014 15.068 0.000) 15.102 5.905 ( 3.074 24.782 0.000) 24.972 8.019 ( 14.790 -2.849 -0.000) 15.062 8.067 ( 5.115 -2.525 -0.000) 5.704 8.791 ( -3.443 -8.318 -0.000) 9.003 8.825 ( -4.389 -5.523 -0.000) 7.055 9.105 ( 8.015 -3.245 -0.000) 8.647 9.487 ( -4.546 13.257 0.000) 14.014 9.988 ( -7.102 -1.105 -0.000) 7.188 10.445 ( 2.226 8.717 0.000) 8.997 10.462 ( 5.424 10.730 0.000) 12.023 10.691 ( -3.667 -5.135 -0.000) 6.310 10.843 ( -16.806 0.197 0.000) 16.807 11.353 ( 3.621 2.117 0.000) 4.194 11.807 ( -1.357 -5.537 -0.000) 5.700 12.005 ( -3.262 -13.435 -0.000) 13.825 12.349 ( -4.691 8.445 0.000) 9.660 12.559 ( -5.142 -12.850 -0.000) 13.841 12.680 ( 6.753 16.931 0.000) 18.228 13.013 ( 14.418 -7.107 -0.000) 16.075 13.699 ( 4.021 4.819 0.000) 6.276 13.935 ( 1.552 6.182 0.000) 6.374 14.660 ( -5.596 -1.040 -0.000) 5.692 15.598 ( 1.859 -2.437 -0.000) 3.065 15.638 ( -1.918 0.224 0.000) 1.931 15.768 ( 0.076 5.390 0.000) 5.391 15.943 ( 0.029 1.827 0.000) 1.827 17.895 ( 3.042 10.770 0.000) 11.191 18.079 ( -1.034 -8.213 -0.000) 8.277 18.876 ( -3.638 -8.607 -0.000) 9.344 18.939 ( 0.847 5.755 0.000) 5.817 ======================= Grid point 207 (126/148) ======================= q-point: ( 0.25 -0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 4.524 -1.377 -0.000) 4.729 2.951 ( -2.618 10.621 0.000) 10.939 2.962 ( -2.699 -7.372 -0.000) 7.850 3.378 ( 0.455 2.873 0.000) 2.909 3.715 ( -6.241 0.898 0.000) 6.305 3.727 ( 4.214 -7.753 -0.000) 8.824 4.038 ( -12.615 -12.112 -0.000) 17.488 4.066 ( -7.012 3.562 0.000) 7.865 4.773 ( -3.064 -11.589 -0.000) 11.987 4.984 ( 9.078 -3.030 -0.000) 9.570 5.522 ( -13.404 7.330 0.000) 15.277 5.960 ( 28.808 4.843 0.000) 29.213 6.424 ( 5.349 18.336 0.000) 19.100 8.230 ( 13.852 0.885 0.000) 13.880 8.334 ( 19.498 -2.011 -0.000) 19.601 8.565 ( -6.982 -4.578 -0.000) 8.349 8.791 ( 3.942 4.274 0.000) 5.814 9.238 ( 9.335 -1.656 -0.000) 9.481 9.581 ( -10.051 10.983 0.000) 14.888 9.835 ( -5.720 -1.523 -0.000) 5.919 10.227 ( -21.577 0.070 0.000) 21.578 10.486 ( -3.931 -9.465 -0.000) 10.249 10.679 ( -4.033 8.291 0.000) 9.220 10.905 ( 1.824 14.764 0.000) 14.877 11.456 ( 3.375 0.140 -0.000) 3.378 11.463 ( -11.804 -18.968 -0.000) 22.341 11.711 ( -3.299 -5.700 -0.000) 6.586 12.189 ( -4.479 -14.583 -0.000) 15.256 12.461 ( 3.939 5.558 0.000) 6.812 13.077 ( 4.433 11.451 0.000) 12.279 13.214 ( 13.111 -3.895 -0.000) 13.677 13.798 ( 2.463 -2.673 -0.000) 3.635 14.029 ( -1.305 1.814 0.000) 2.235 14.457 ( -9.474 -2.430 -0.000) 9.781 15.592 ( -2.700 0.664 0.000) 2.780 15.599 ( 2.079 -1.538 -0.000) 2.586 15.939 ( 2.309 9.021 0.000) 9.312 15.956 ( -0.625 0.254 0.000) 0.675 17.911 ( -1.227 -6.763 -0.000) 6.873 18.168 ( 6.090 7.844 0.000) 9.931 18.587 ( -6.097 -9.600 -0.000) 11.372 19.094 ( 1.691 6.565 0.000) 6.779 ======================= Grid point 210 (127/148) ======================= q-point: ( 0.25 -0.25 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -14.635 -13.947 -0.000) 20.217 2.906 ( -15.309 3.695 0.000) 15.749 3.025 ( 9.366 1.156 0.000) 9.437 3.305 ( -1.931 -10.262 -0.000) 10.443 3.600 ( 2.469 -10.358 -0.000) 10.648 3.624 ( -8.500 7.387 0.000) 11.261 3.768 ( 1.216 -2.312 -0.000) 2.613 4.001 ( -11.194 4.329 0.000) 12.002 4.587 ( 0.080 -4.307 -0.000) 4.308 4.930 ( -3.611 -6.750 -0.000) 7.655 5.192 ( -24.936 0.853 0.000) 24.951 6.483 ( 7.731 5.580 0.000) 9.534 7.006 ( 34.256 4.925 0.000) 34.608 8.234 ( -21.946 0.404 0.000) 21.949 8.611 ( 5.613 2.028 0.000) 5.968 8.674 ( 21.984 3.538 0.000) 22.267 9.128 ( 17.477 5.274 0.000) 18.256 9.411 ( 10.381 -1.307 -0.000) 10.463 9.496 ( -10.670 3.407 0.000) 11.201 9.711 ( -1.250 -2.208 -0.000) 2.537 9.937 ( -14.081 8.289 0.000) 16.340 10.228 ( -7.214 -5.625 -0.000) 9.148 10.615 ( -12.073 2.733 0.000) 12.379 10.767 ( -16.435 -19.701 -0.000) 25.656 11.210 ( -1.408 12.951 0.000) 13.028 11.487 ( 1.831 -1.457 -0.000) 2.339 11.512 ( -6.008 -5.248 -0.000) 7.977 11.837 ( -1.163 -13.852 -0.000) 13.900 12.715 ( 9.302 4.745 0.000) 10.442 13.287 ( 1.581 3.152 0.000) 3.526 13.329 ( 5.359 -3.255 -0.000) 6.270 13.717 ( -1.431 -3.903 -0.000) 4.157 13.937 ( -7.641 -1.425 -0.000) 7.773 14.232 ( -10.115 -0.391 0.000) 10.123 15.583 ( 0.037 1.156 0.000) 1.156 15.615 ( 1.555 -0.703 -0.000) 1.707 15.943 ( -0.481 -0.099 -0.000) 0.491 16.181 ( 4.377 7.844 0.000) 8.982 17.680 ( -11.923 -6.259 -0.000) 13.466 18.366 ( 1.465 -4.971 -0.000) 5.182 18.433 ( 6.849 5.178 0.000) 8.586 19.233 ( 1.417 3.905 0.000) 4.154 ======================= Grid point 211 (128/148) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -21.053 0.000 -0.000) 21.053 2.500 ( -25.285 0.000 -0.000) 25.285 3.193 ( 1.641 -0.000 0.000) 1.641 3.218 ( 6.093 -0.000 0.000) 6.093 3.518 ( 1.788 -0.000 0.000) 1.788 3.689 ( -3.077 0.000 -0.000) 3.077 3.734 ( 5.087 -0.000 0.000) 5.087 3.785 ( -12.035 0.000 -0.000) 12.035 4.372 ( -24.763 0.000 -0.000) 24.763 4.697 ( -9.982 0.000 -0.000) 9.982 4.809 ( -6.534 0.000 -0.000) 6.534 6.576 ( -1.966 0.000 -0.000) 1.966 7.622 ( -38.828 0.000 -0.000) 38.828 7.831 ( 39.227 -0.000 0.000) 39.227 8.600 ( -7.386 0.000 -0.000) 7.386 9.190 ( 23.212 -0.000 0.000) 23.212 9.431 ( 1.887 -0.000 0.000) 1.887 9.451 ( -4.234 0.000 -0.000) 4.234 9.586 ( 21.015 -0.000 0.000) 21.015 9.834 ( -29.416 0.000 -0.000) 29.416 9.853 ( -9.417 0.000 -0.000) 9.417 9.865 ( 16.949 -0.000 0.000) 16.949 10.276 ( -3.161 0.000 -0.000) 3.161 10.380 ( -11.808 0.000 -0.000) 11.808 11.269 ( -8.964 0.000 -0.000) 8.964 11.296 ( -5.965 0.000 -0.000) 5.965 11.508 ( 2.468 -0.000 0.000) 2.468 11.722 ( 4.336 -0.000 0.000) 4.336 12.933 ( 6.003 -0.000 0.000) 6.003 13.289 ( -1.932 0.000 -0.000) 1.932 13.325 ( -1.505 0.000 -0.000) 1.505 13.650 ( -2.196 0.000 -0.000) 2.196 13.715 ( -11.743 0.000 -0.000) 11.743 14.037 ( -8.899 0.000 -0.000) 8.899 15.623 ( 2.422 -0.000 0.000) 2.422 15.636 ( 1.347 -0.000 0.000) 1.347 15.937 ( -0.081 0.000 -0.000) 0.081 16.376 ( 5.578 -0.000 0.000) 5.578 17.223 ( -23.706 0.000 -0.000) 23.706 18.435 ( 7.849 -0.000 0.000) 7.849 18.615 ( 5.544 -0.000 0.000) 5.544 19.291 ( 0.455 -0.000 0.000) 0.455 ======================= Grid point 212 (129/148) ======================= q-point: (-0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -2.641 -12.338 0.000) 12.617 2.809 ( 2.641 12.338 0.000) 12.617 3.126 ( -0.830 -5.665 0.000) 5.725 3.126 ( 0.830 5.665 0.000) 5.725 3.768 ( -9.487 -3.636 0.000) 10.160 3.768 ( 9.487 3.636 0.000) 10.160 4.175 ( -3.131 -2.643 0.000) 4.097 4.175 ( 3.131 2.643 0.000) 4.097 4.527 ( -1.710 -8.418 0.000) 8.590 4.527 ( 1.710 8.418 0.000) 8.590 5.779 ( -0.157 -25.068 0.000) 25.068 5.779 ( 0.157 25.068 0.000) 25.068 7.555 ( -43.849 -0.138 0.000) 43.850 7.555 ( 43.849 0.138 0.000) 43.850 8.512 ( -0.771 -4.480 0.000) 4.546 8.512 ( 0.771 4.480 0.000) 4.546 9.472 ( -4.205 -4.980 0.000) 6.518 9.472 ( 4.205 4.980 0.000) 6.518 9.639 ( -5.417 -4.274 0.000) 6.900 9.639 ( 5.417 4.274 -0.000) 6.900 9.851 ( -1.415 -1.356 0.000) 1.960 9.851 ( 1.415 1.356 0.000) 1.960 10.501 ( -0.161 -1.103 0.000) 1.114 10.501 ( 0.161 1.103 0.000) 1.114 11.652 ( -4.295 -0.990 0.000) 4.407 11.652 ( 4.295 0.990 -0.000) 4.407 12.353 ( -3.837 -12.142 -0.000) 12.733 12.353 ( 3.837 12.142 -0.000) 12.733 12.388 ( -0.479 -22.099 0.000) 22.104 12.388 ( 0.479 22.099 0.000) 22.104 13.711 ( -0.368 -3.369 0.000) 3.389 13.711 ( 0.368 3.369 0.000) 3.389 14.076 ( -11.365 -0.375 0.000) 11.371 14.076 ( 11.365 0.375 0.000) 11.371 15.610 ( -1.056 -0.006 0.000) 1.056 15.610 ( 1.056 0.006 0.000) 1.056 15.887 ( -3.696 -0.124 0.000) 3.699 15.887 ( 3.696 0.124 0.000) 3.699 18.093 ( -2.852 -12.089 0.000) 12.421 18.093 ( 2.852 12.089 0.000) 12.421 18.840 ( -0.440 -10.120 0.000) 10.130 18.840 ( 0.440 10.120 0.000) 10.130 ======================= Grid point 223 (130/148) ======================= q-point: (-0.40 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.000 -1.455 -18.048) 18.107 2.373 ( -0.000 -3.525 -24.744) 24.994 3.226 ( 0.000 -5.243 4.343) 6.808 3.407 ( 0.000 19.653 -0.408) 19.657 3.532 ( -0.000 -1.323 -12.992) 13.059 3.847 ( 0.000 -8.449 6.919) 10.921 4.012 ( -0.000 -4.461 -16.917) 17.496 4.025 ( -0.000 -10.120 -1.890) 10.295 4.235 ( -0.000 0.558 -20.821) 20.828 4.833 ( -0.000 -1.176 -0.171) 1.189 5.029 ( -0.000 -9.418 -9.493) 13.372 5.635 ( -0.000 3.254 -16.570) 16.886 6.680 ( 0.000 8.852 -1.910) 9.056 7.729 ( -0.000 -2.804 -0.652) 2.879 7.873 ( 0.000 -0.753 2.184) 2.310 8.898 ( 0.000 10.467 15.519) 18.719 8.954 ( 0.000 -1.392 10.813) 10.902 9.488 ( 0.000 -1.094 15.311) 15.350 9.554 ( -0.000 1.057 -13.265) 13.308 10.213 ( 0.000 -4.178 1.815) 4.555 10.330 ( -0.000 14.214 -18.100) 23.014 10.389 ( 0.000 -0.219 2.689) 2.698 10.773 ( -0.000 -5.443 -6.885) 8.777 11.257 ( -0.000 -1.415 -7.852) 7.979 11.374 ( -0.000 -6.453 -5.516) 8.489 11.467 ( -0.000 -1.857 -11.503) 11.652 11.507 ( 0.000 2.597 2.833) 3.843 11.700 ( 0.000 -4.230 3.163) 5.281 12.533 ( -0.000 1.049 -4.725) 4.840 13.048 ( 0.000 -5.283 15.068) 15.967 13.331 ( 0.000 6.865 6.429) 9.405 13.497 ( -0.000 -1.112 -10.179) 10.240 13.862 ( -0.000 7.380 -13.950) 15.782 14.222 ( -0.000 -10.819 -11.202) 15.574 15.531 ( 0.000 -0.553 0.907) 1.062 15.737 ( 0.000 0.568 1.932) 2.014 15.965 ( 0.000 3.001 -0.573) 3.055 16.290 ( 0.000 4.808 7.155) 8.620 17.058 ( -0.000 -8.939 -21.188) 22.997 18.518 ( 0.000 0.860 8.528) 8.571 18.667 ( 0.000 -1.839 2.992) 3.512 19.236 ( 0.000 2.646 2.531) 3.661 ======================= Grid point 224 (131/148) ======================= q-point: (-0.40 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 3.640 -0.000 -20.481) 20.802 2.334 ( 0.373 -0.000 -20.339) 20.342 3.126 ( -3.411 0.000 3.711) 5.040 3.450 ( -5.449 -0.000 -9.493) 10.946 3.609 ( -9.415 -0.000 -6.949) 11.702 3.782 ( -1.493 0.000 2.204) 2.662 3.830 ( -2.695 -0.000 -1.173) 2.939 3.974 ( 9.706 -0.000 -15.842) 18.579 4.319 ( 2.216 -0.000 -12.204) 12.403 4.837 ( -1.849 -0.000 -4.403) 4.775 5.104 ( 20.989 -0.000 -10.307) 23.383 5.627 ( -3.271 -0.000 -14.359) 14.727 6.826 ( 5.039 -0.000 -2.149) 5.478 7.849 ( 13.802 -0.000 -0.609) 13.815 7.989 ( 12.387 0.000 2.219) 12.584 8.827 ( -8.035 0.000 12.969) 15.256 9.094 ( 4.699 0.000 12.846) 13.679 9.441 ( -3.143 0.000 13.886) 14.238 9.538 ( -2.245 -0.000 -11.934) 12.143 10.137 ( -0.302 -0.000 -1.264) 1.300 10.377 ( -5.124 0.000 5.361) 7.416 10.548 ( -0.795 -0.000 -7.390) 7.433 10.626 ( -2.448 -0.000 -15.631) 15.822 11.114 ( -14.424 -0.000 -10.842) 18.045 11.178 ( -4.309 -0.000 -9.347) 10.293 11.478 ( -1.370 -0.000 -5.954) 6.110 11.530 ( 2.643 -0.000 0.205) 2.651 11.633 ( -3.918 0.000 6.511) 7.599 12.645 ( 8.127 -0.000 -1.557) 8.275 13.029 ( 3.858 0.000 11.354) 11.991 13.410 ( 1.011 0.000 6.047) 6.131 13.509 ( 2.524 -0.000 -8.703) 9.062 13.977 ( -2.712 -0.000 -6.875) 7.390 14.022 ( -1.919 -0.000 -20.117) 20.208 15.563 ( 3.305 0.000 1.789) 3.758 15.722 ( -1.767 0.000 2.232) 2.847 16.016 ( 1.888 -0.000 -0.890) 2.087 16.327 ( -1.839 0.000 9.905) 10.074 17.019 ( 5.663 -0.000 -24.527) 25.172 18.449 ( -5.893 0.000 5.012) 7.736 18.690 ( 2.539 0.000 7.528) 7.945 19.272 ( 0.738 0.000 1.811) 1.955 ======================= Grid point 239 (132/148) ======================= q-point: (-0.54 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -0.000 -2.311 -9.363) 9.644 2.894 ( -0.000 -3.783 -19.243) 19.612 2.970 ( 0.000 22.805 1.618) 22.863 3.268 ( -0.000 -0.838 -3.047) 3.160 3.719 ( -0.000 -0.960 -5.183) 5.271 3.876 ( 0.000 -7.349 8.536) 11.264 4.167 ( -0.000 0.097 -5.620) 5.620 4.225 ( -0.000 -4.813 -3.054) 5.700 4.759 ( -0.000 -10.900 -13.057) 17.008 4.851 ( 0.000 -1.352 0.675) 1.511 5.268 ( 0.000 -4.748 1.647) 5.025 5.700 ( -0.000 11.934 -5.168) 13.005 6.399 ( 0.000 20.982 1.569) 21.040 7.805 ( -0.000 -2.947 -0.224) 2.955 7.906 ( -0.000 -4.352 -1.285) 4.538 8.595 ( -0.000 2.374 -1.878) 3.027 8.843 ( 0.000 -5.011 6.410) 8.136 9.207 ( 0.000 -0.440 15.978) 15.984 9.719 ( -0.000 7.182 -9.244) 11.706 10.070 ( 0.000 2.640 5.742) 6.320 10.375 ( -0.000 13.819 -16.063) 21.189 10.533 ( -0.000 -11.581 0.781) 11.608 10.785 ( 0.000 4.394 3.336) 5.517 11.190 ( 0.000 7.377 11.023) 13.263 11.333 ( -0.000 1.537 -2.620) 3.038 11.713 ( -0.000 -4.513 -1.465) 4.744 11.722 ( -0.000 -12.827 -6.895) 14.563 12.062 ( -0.000 -8.745 -21.360) 23.081 12.582 ( -0.000 0.566 -2.685) 2.744 12.861 ( 0.000 -7.625 18.213) 19.745 13.011 ( 0.000 14.409 5.278) 15.346 13.664 ( -0.000 0.687 -5.803) 5.843 13.952 ( -0.000 6.125 -8.958) 10.852 14.576 ( -0.000 -5.842 -7.694) 9.661 15.538 ( -0.000 -1.492 0.301) 1.523 15.690 ( 0.000 0.769 1.393) 1.591 15.885 ( 0.000 5.460 0.052) 5.460 16.064 ( 0.000 2.642 8.037) 8.460 17.611 ( -0.000 -7.155 -19.344) 20.625 18.250 ( 0.000 4.868 11.314) 12.317 18.754 ( -0.000 -8.305 0.850) 8.349 19.093 ( 0.000 5.336 3.801) 6.551 ======================= Grid point 240 (133/148) ======================= q-point: (-0.54 -0.29 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 5.093 -0.090 -12.071) 13.102 2.737 ( -1.123 -9.725 -10.449) 14.319 3.169 ( -2.142 -4.177 -1.948) 5.083 3.373 ( -2.904 15.475 -1.444) 15.811 3.653 ( -2.389 -3.700 2.757) 5.196 3.766 ( 0.076 -1.435 -2.225) 2.649 4.030 ( -6.939 -9.918 -3.454) 12.588 4.224 ( -1.307 4.826 -7.437) 8.961 4.547 ( -0.011 -4.567 -10.464) 11.417 4.863 ( 1.262 -3.674 5.473) 6.711 5.359 ( 19.705 -2.316 -10.304) 22.357 5.808 ( -8.412 6.424 -9.754) 14.394 6.737 ( 1.406 11.207 0.492) 11.306 7.898 ( 13.838 -2.520 -1.320) 14.128 7.958 ( 12.081 -1.380 1.484) 12.250 8.613 ( -2.530 -0.622 7.674) 8.105 8.839 ( 6.494 1.472 7.945) 10.366 9.216 ( -0.532 0.441 10.247) 10.270 9.744 ( -4.586 2.201 -11.335) 12.424 10.119 ( -4.125 4.720 6.349) 8.922 10.323 ( -1.868 -7.625 0.951) 7.908 10.548 ( -6.186 2.035 -0.770) 6.558 10.794 ( -5.891 9.331 -12.224) 16.468 11.306 ( -5.836 8.717 4.626) 11.466 11.379 ( -7.116 -5.392 -6.136) 10.833 11.393 ( 0.140 -2.056 -0.251) 2.076 11.642 ( -1.064 -3.350 -2.796) 4.491 11.813 ( -3.013 -11.834 -15.877) 20.031 12.580 ( 0.720 -1.090 9.323) 9.415 12.899 ( 12.809 -2.555 4.936) 13.963 13.245 ( 1.861 6.667 4.306) 8.152 13.667 ( 1.190 -1.898 -5.247) 5.706 14.044 ( -1.435 3.764 -6.562) 7.700 14.425 ( -4.168 -4.273 -12.498) 13.851 15.540 ( 2.255 -0.685 1.018) 2.567 15.678 ( -2.254 0.509 1.646) 2.838 15.985 ( 1.284 2.694 0.726) 3.072 16.115 ( -0.268 3.118 7.892) 8.490 17.518 ( 3.429 -4.792 -21.173) 21.977 18.333 ( 1.070 0.950 10.918) 11.011 18.579 ( -3.392 -3.868 3.050) 5.981 19.196 ( 0.917 3.775 2.133) 4.432 ======================= Grid point 243 (134/148) ======================= q-point: (-0.54 -0.29 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -7.987 -0.000 -4.164) 9.007 2.656 ( 7.063 -0.000 -15.627) 17.149 3.091 ( -1.069 -0.000 -5.988) 6.082 3.343 ( -12.727 0.000 -0.575) 12.740 3.526 ( -3.688 0.000 0.502) 3.722 3.741 ( -6.057 -0.000 -6.711) 9.040 3.746 ( -5.311 -0.000 -1.242) 5.454 4.368 ( -7.165 0.000 2.249) 7.510 4.414 ( 7.993 -0.000 -6.614) 10.375 4.860 ( 0.937 -0.000 -0.587) 1.106 5.563 ( -15.699 -0.000 -10.033) 18.631 5.959 ( 33.989 -0.000 -4.872) 34.336 6.872 ( 1.417 0.000 4.629) 4.842 8.227 ( 19.978 -0.000 -2.505) 20.135 8.312 ( 22.314 -0.000 2.232) 22.425 8.509 ( -6.726 0.000 4.535) 8.112 9.080 ( 11.320 0.000 3.341) 11.803 9.180 ( -1.773 0.000 7.089) 7.307 9.666 ( -4.911 -0.000 -9.153) 10.387 9.998 ( -18.401 0.000 7.710) 19.951 10.160 ( 0.112 -0.000 -1.118) 1.123 10.369 ( -9.928 0.000 6.316) 11.766 10.726 ( -12.979 -0.000 -11.263) 17.185 11.080 ( -13.212 0.000 4.501) 13.958 11.306 ( -1.752 -0.000 -15.710) 15.807 11.466 ( -1.020 0.000 1.152) 1.539 11.563 ( -2.849 -0.000 -2.461) 3.765 11.568 ( -1.374 -0.000 -4.924) 5.112 12.666 ( 7.607 0.000 10.007) 12.570 13.117 ( 9.861 -0.000 -1.481) 9.971 13.338 ( 1.109 0.000 3.796) 3.954 13.662 ( 1.212 -0.000 -2.911) 3.153 14.016 ( -4.889 -0.000 -4.494) 6.641 14.273 ( -6.590 -0.000 -13.568) 15.084 15.587 ( 2.600 0.000 1.905) 3.223 15.637 ( -1.870 0.000 2.160) 2.857 16.020 ( -0.061 0.000 5.739) 5.739 16.178 ( 2.591 0.000 1.739) 3.121 17.565 ( 4.841 -0.000 -17.550) 18.205 18.240 ( -8.209 -0.000 -1.187) 8.294 18.575 ( 4.318 0.000 12.033) 12.784 19.259 ( 1.388 0.000 1.522) 2.060 ======================= Grid point 255 (135/148) ======================= q-point: ( 0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 0.000 25.467 0.000) 25.467 2.625 ( -0.000 -4.531 -0.000) 4.531 2.968 ( 0.000 14.327 0.000) 14.327 3.441 ( -0.000 -1.710 -0.000) 1.710 3.729 ( -0.000 -3.606 -0.000) 3.606 3.849 ( 0.000 1.000 0.000) 1.000 4.316 ( -0.000 -7.139 -0.000) 7.139 4.320 ( -0.000 -1.811 -0.000) 1.811 4.866 ( -0.000 -0.653 -0.000) 0.653 5.127 ( -0.000 -14.577 -0.000) 14.577 5.134 ( 0.000 13.585 0.000) 13.585 5.429 ( 0.000 16.960 0.000) 16.960 5.876 ( 0.000 25.812 0.000) 25.812 7.863 ( -0.000 -2.725 -0.000) 2.725 8.016 ( -0.000 -3.566 -0.000) 3.566 8.823 ( -0.000 -9.620 -0.000) 9.620 8.916 ( -0.000 -7.719 -0.000) 7.719 8.977 ( -0.000 -1.971 -0.000) 1.971 9.537 ( 0.000 15.123 0.000) 15.123 10.078 ( -0.000 -5.315 -0.000) 5.315 10.387 ( 0.000 16.337 0.000) 16.337 10.409 ( 0.000 10.736 0.000) 10.736 10.720 ( -0.000 -7.778 -0.000) 7.778 11.043 ( -0.000 -1.101 -0.000) 1.101 11.314 ( 0.000 2.472 0.000) 2.472 11.821 ( -0.000 -5.858 -0.000) 5.858 12.035 ( -0.000 -9.881 -0.000) 9.881 12.428 ( 0.000 2.495 0.000) 2.495 12.583 ( 0.000 22.561 0.000) 22.561 12.658 ( -0.000 -6.820 -0.000) 6.820 12.810 ( -0.000 -13.626 -0.000) 13.626 13.657 ( 0.000 5.547 0.000) 5.547 13.919 ( 0.000 6.808 0.000) 6.808 14.717 ( -0.000 -1.120 -0.000) 1.120 15.577 ( -0.000 -2.347 -0.000) 2.347 15.659 ( 0.000 0.890 0.000) 0.890 15.768 ( 0.000 4.728 0.000) 4.728 15.941 ( 0.000 1.879 0.000) 1.879 17.864 ( 0.000 10.470 0.000) 10.470 18.090 ( -0.000 -8.765 -0.000) 8.765 18.914 ( -0.000 -8.141 -0.000) 8.141 18.930 ( 0.000 5.488 0.000) 5.488 ======================= Grid point 256 (136/148) ======================= q-point: ( 0.31 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 6.582 -1.689 -0.000) 6.795 2.968 ( 0.628 19.416 0.000) 19.426 3.037 ( -3.112 -5.636 -0.000) 6.438 3.367 ( 0.218 -2.242 -0.000) 2.252 3.664 ( 2.031 -5.858 -0.000) 6.200 3.821 ( -4.227 0.724 0.000) 4.289 4.179 ( -3.930 1.512 0.000) 4.211 4.261 ( -5.261 -8.743 -0.000) 10.204 4.792 ( 4.111 -1.440 -0.000) 4.356 4.850 ( -4.084 -10.272 -0.000) 11.054 5.470 ( 19.159 1.673 0.000) 19.232 5.703 ( -5.040 12.756 0.000) 13.715 6.385 ( 0.496 22.249 0.000) 22.254 7.962 ( 14.792 -2.682 -0.000) 15.034 8.004 ( 7.950 -3.684 -0.000) 8.763 8.641 ( -1.657 -6.615 -0.000) 6.819 8.770 ( -0.350 -0.956 -0.000) 1.018 9.077 ( 6.223 0.462 0.000) 6.240 9.759 ( -6.891 13.900 0.000) 15.514 9.943 ( -4.350 -2.609 -0.000) 5.072 10.508 ( -3.227 -7.226 -0.000) 7.914 10.555 ( -4.076 -2.487 -0.000) 4.775 10.721 ( -0.567 14.383 0.000) 14.394 10.953 ( -7.353 10.365 0.000) 12.708 11.390 ( 2.850 1.546 0.000) 3.242 11.659 ( -7.059 -11.134 -0.000) 13.183 11.764 ( -2.118 -8.093 -0.000) 8.366 12.316 ( -8.830 -12.686 -0.000) 15.457 12.425 ( 0.014 0.491 0.000) 0.491 12.907 ( 16.916 -3.514 -0.000) 17.277 12.995 ( 3.453 13.829 0.000) 14.253 13.745 ( 2.272 -0.049 -0.000) 2.272 14.039 ( 0.027 4.316 0.000) 4.316 14.609 ( -5.375 -3.110 -0.000) 6.209 15.557 ( 1.907 -1.746 -0.000) 2.586 15.648 ( -2.520 0.690 0.000) 2.613 15.905 ( 1.130 7.825 0.000) 7.906 15.963 ( -0.101 0.256 0.000) 0.275 17.917 ( 0.073 -7.897 -0.000) 7.897 18.066 ( 3.819 6.759 0.000) 7.763 18.701 ( -4.435 -8.823 -0.000) 9.874 19.065 ( 1.100 6.504 0.000) 6.596 ======================= Grid point 259 (137/148) ======================= q-point: ( 0.31 0.69 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -8.556 -10.312 -0.000) 13.399 2.824 ( 9.585 -1.942 -0.000) 9.780 3.112 ( -6.319 5.802 0.000) 8.579 3.383 ( -4.347 -2.469 -0.000) 4.999 3.563 ( 1.199 -7.332 -0.000) 7.430 3.766 ( -2.490 2.982 0.000) 3.885 3.851 ( -12.006 -5.378 -0.000) 13.156 4.205 ( -7.954 8.691 0.000) 11.781 4.586 ( -1.836 -8.025 -0.000) 8.233 4.905 ( 6.182 -4.248 -0.000) 7.501 5.636 ( -18.326 4.132 0.000) 18.786 6.003 ( 31.740 0.619 -0.000) 31.746 6.713 ( 1.414 10.337 0.000) 10.434 8.247 ( 18.795 0.683 -0.000) 18.807 8.302 ( 21.177 -1.222 -0.000) 21.212 8.492 ( -5.085 -2.636 -0.000) 5.728 8.922 ( 7.083 7.977 0.000) 10.668 9.187 ( 8.287 -3.721 -0.000) 9.084 9.785 ( -14.792 8.967 0.000) 17.298 9.806 ( -5.666 -1.215 -0.000) 5.794 10.245 ( -15.453 0.100 0.000) 15.453 10.299 ( -2.603 -6.957 -0.000) 7.427 10.836 ( -9.568 6.790 0.000) 11.732 11.081 ( -10.668 -8.092 -0.000) 13.390 11.253 ( -5.795 9.813 0.000) 11.396 11.448 ( 2.003 -0.780 -0.000) 2.149 11.617 ( -4.148 -3.519 -0.000) 5.439 11.897 ( -5.076 -15.177 -0.000) 16.003 12.529 ( 8.554 1.704 0.000) 8.722 13.156 ( 11.901 -1.977 -0.000) 12.064 13.246 ( 2.324 5.644 0.000) 6.104 13.726 ( 0.283 -3.533 -0.000) 3.544 14.053 ( -4.001 0.752 0.000) 4.071 14.423 ( -8.614 -1.014 -0.000) 8.674 15.576 ( 2.281 -0.819 -0.000) 2.424 15.608 ( -2.353 0.770 0.000) 2.475 15.952 ( -0.425 -0.407 -0.000) 0.589 16.100 ( 3.539 6.565 0.000) 7.458 17.797 ( -0.971 -4.454 -0.000) 4.558 18.289 ( 7.129 4.329 0.000) 8.340 18.426 ( -6.279 -6.226 -0.000) 8.842 19.202 ( 1.599 4.097 0.000) 4.398 ======================= Grid point 262 (138/148) ======================= q-point: ( 0.31 -0.31 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -16.394 0.000 -0.000) 16.394 2.963 ( -20.928 0.000 -0.000) 20.928 3.041 ( 10.573 -0.000 0.000) 10.573 3.171 ( 0.420 -0.000 0.000) 0.420 3.489 ( 0.891 -0.000 0.000) 0.891 3.694 ( -1.202 0.000 -0.000) 1.202 3.764 ( -4.064 0.000 -0.000) 4.064 4.049 ( -13.962 0.000 -0.000) 13.962 4.544 ( 1.913 -0.000 0.000) 1.913 4.852 ( -4.611 0.000 -0.000) 4.611 5.201 ( -26.273 0.000 -0.000) 26.273 6.534 ( 10.668 -0.000 0.000) 10.668 7.059 ( 31.164 -0.000 0.000) 31.164 8.238 ( -20.648 0.000 -0.000) 20.648 8.631 ( 7.651 -0.000 0.000) 7.651 8.712 ( 24.022 -0.000 0.000) 24.022 9.198 ( 13.206 -0.000 0.000) 13.206 9.385 ( 14.413 -0.000 0.000) 14.413 9.531 ( -13.024 0.000 -0.000) 13.024 9.689 ( -2.580 0.000 -0.000) 2.580 10.061 ( -11.221 0.000 -0.000) 11.221 10.157 ( -3.221 0.000 -0.000) 3.221 10.539 ( -22.313 0.000 -0.000) 22.313 10.645 ( -13.822 0.000 -0.000) 13.822 11.408 ( -4.709 0.000 -0.000) 4.709 11.444 ( -8.702 0.000 -0.000) 8.702 11.470 ( 1.611 -0.000 0.000) 1.611 11.643 ( 3.140 -0.000 0.000) 3.140 12.762 ( 10.427 -0.000 0.000) 10.427 13.297 ( 4.594 -0.000 0.000) 4.594 13.311 ( -0.272 0.000 -0.000) 0.272 13.681 ( -0.797 0.000 -0.000) 0.797 13.923 ( -8.743 0.000 -0.000) 8.743 14.228 ( -9.812 0.000 -0.000) 9.812 15.595 ( 0.202 -0.000 0.000) 0.202 15.608 ( 1.591 -0.000 0.000) 1.591 15.941 ( -0.271 0.000 -0.000) 0.271 16.265 ( 5.323 -0.000 0.000) 5.323 17.612 ( -13.900 0.000 -0.000) 13.900 18.317 ( 2.653 -0.000 0.000) 2.653 18.485 ( 7.282 -0.000 0.000) 7.282 19.273 ( 1.295 -0.000 0.000) 1.295 ======================= Grid point 274 (139/148) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -0.000 -0.000 -18.539) 18.539 2.330 ( -0.000 -0.000 -21.812) 21.812 3.162 ( 0.000 0.000 4.486) 4.486 3.516 ( -0.000 -0.000 -18.240) 18.240 3.743 ( -0.000 -0.000 -8.211) 8.211 3.763 ( 0.000 0.000 6.547) 6.547 3.784 ( 0.000 0.000 5.698) 5.698 3.933 ( -0.000 -0.000 -21.030) 21.030 4.294 ( -0.000 -0.000 -17.308) 17.308 4.821 ( -0.000 -0.000 -0.470) 0.470 4.919 ( -0.000 -0.000 -10.716) 10.716 5.669 ( -0.000 -0.000 -18.720) 18.720 6.768 ( -0.000 -0.000 -2.799) 2.799 7.699 ( -0.000 -0.000 -0.529) 0.529 7.866 ( 0.000 0.000 2.592) 2.592 8.939 ( 0.000 0.000 11.828) 11.828 9.012 ( 0.000 0.000 18.820) 18.820 9.473 ( 0.000 0.000 14.772) 14.772 9.565 ( -0.000 -0.000 -13.660) 13.660 10.139 ( -0.000 -0.000 -0.644) 0.644 10.420 ( 0.000 0.000 3.782) 3.782 10.546 ( -0.000 -0.000 -12.108) 12.108 10.647 ( -0.000 -0.000 -17.858) 17.858 11.224 ( -0.000 -0.000 -10.008) 10.008 11.323 ( -0.000 -0.000 -2.912) 2.912 11.476 ( -0.000 -0.000 -3.744) 3.744 11.493 ( -0.000 -0.000 -5.782) 5.782 11.674 ( 0.000 0.000 6.637) 6.637 12.545 ( -0.000 -0.000 -4.937) 4.937 12.987 ( 0.000 0.000 15.888) 15.888 13.399 ( 0.000 0.000 6.198) 6.198 13.484 ( -0.000 -0.000 -10.123) 10.123 14.006 ( -0.000 -0.000 -6.385) 6.385 14.041 ( -0.000 -0.000 -21.075) 21.075 15.525 ( 0.000 0.000 1.051) 1.051 15.742 ( 0.000 0.000 1.995) 1.995 15.997 ( -0.000 -0.000 -0.805) 0.805 16.346 ( 0.000 0.000 10.378) 10.378 16.961 ( -0.000 -0.000 -25.290) 25.290 18.502 ( 0.000 0.000 6.989) 6.989 18.670 ( 0.000 0.000 5.954) 5.954 19.264 ( 0.000 0.000 1.924) 1.924 ======================= Grid point 291 (140/148) ======================= q-point: (-0.48 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -0.000 -0.835 -9.835) 9.871 2.750 ( -0.000 -8.801 -13.829) 16.392 3.193 ( -0.000 -4.758 -1.967) 5.148 3.398 ( 0.000 20.346 0.894) 20.366 3.672 ( 0.000 -4.688 7.697) 9.012 3.768 ( -0.000 -0.986 -8.546) 8.603 4.074 ( -0.000 -10.698 -2.507) 10.988 4.244 ( -0.000 4.231 -7.193) 8.345 4.596 ( -0.000 -4.781 -15.058) 15.799 4.828 ( 0.000 -0.788 0.496) 0.931 5.155 ( -0.000 -5.550 -3.884) 6.774 5.895 ( -0.000 7.431 -10.288) 12.691 6.721 ( 0.000 11.309 -2.585) 11.601 7.750 ( -0.000 -2.572 -1.350) 2.905 7.836 ( 0.000 -2.392 1.657) 2.910 8.648 ( 0.000 2.354 10.245) 10.512 8.761 ( 0.000 -3.176 8.436) 9.014 9.223 ( 0.000 1.456 11.524) 11.615 9.793 ( -0.000 1.411 -11.435) 11.522 10.155 ( 0.000 2.885 4.510) 5.353 10.346 ( 0.000 -4.939 1.596) 5.191 10.589 ( -0.000 6.424 -6.987) 9.491 10.872 ( -0.000 6.080 -8.086) 10.117 11.358 ( -0.000 1.015 -3.277) 3.431 11.367 ( 0.000 8.968 10.137) 13.534 11.493 ( -0.000 -9.526 -5.714) 11.108 11.646 ( -0.000 -2.211 -3.082) 3.793 11.863 ( -0.000 -10.461 -20.503) 23.018 12.607 ( -0.000 1.394 -2.930) 3.245 12.714 ( 0.000 -6.758 20.146) 21.250 13.226 ( 0.000 7.353 4.381) 8.560 13.654 ( -0.000 -1.096 -6.082) 6.180 14.058 ( -0.000 4.415 -6.485) 7.845 14.467 ( -0.000 -4.624 -13.116) 13.907 15.515 ( 0.000 -0.841 0.719) 1.106 15.703 ( 0.000 0.505 1.381) 1.471 15.970 ( 0.000 2.832 0.113) 2.834 16.119 ( 0.000 2.810 9.075) 9.500 17.482 ( -0.000 -5.191 -22.242) 22.840 18.315 ( 0.000 1.579 12.977) 13.073 18.620 ( 0.000 -4.717 1.832) 5.060 19.187 ( 0.000 3.768 2.257) 4.392 ======================= Grid point 294 (141/148) ======================= q-point: (-0.48 -0.35 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 6.651 -0.000 -11.295) 13.108 2.618 ( -2.991 -0.000 -8.956) 9.442 3.122 ( -1.592 -0.000 -3.793) 4.113 3.572 ( -9.360 -0.000 -3.132) 9.870 3.590 ( -2.539 0.000 6.424) 6.908 3.825 ( -0.250 -0.000 -2.000) 2.015 3.837 ( -3.134 -0.000 -5.392) 6.237 4.282 ( 3.095 -0.000 -12.489) 12.867 4.502 ( -5.601 -0.000 -6.859) 8.856 4.822 ( 1.625 0.000 4.062) 4.375 5.334 ( 21.318 -0.000 -11.141) 24.054 5.874 ( -9.187 -0.000 -10.889) 14.247 6.849 ( 1.231 -0.000 -0.566) 1.355 7.871 ( 14.189 -0.000 -1.602) 14.279 7.945 ( 12.897 0.000 2.285) 13.098 8.600 ( -3.781 0.000 9.613) 10.330 8.863 ( 9.600 0.000 10.443) 14.185 9.222 ( -1.795 0.000 8.638) 8.822 9.763 ( -3.923 -0.000 -10.797) 11.488 10.154 ( 0.348 -0.000 -0.581) 0.677 10.264 ( -7.772 0.000 6.268) 9.985 10.563 ( -7.775 0.000 2.433) 8.147 10.909 ( -5.647 -0.000 -14.140) 15.226 11.297 ( -7.985 -0.000 -1.296) 8.089 11.349 ( -2.368 -0.000 -8.104) 8.443 11.472 ( -0.117 0.000 4.428) 4.429 11.609 ( -1.843 -0.000 -3.135) 3.636 11.651 ( -5.742 -0.000 -14.623) 15.710 12.562 ( 1.870 0.000 12.086) 12.230 12.874 ( 13.594 0.000 2.851) 13.890 13.312 ( 1.248 0.000 4.013) 4.203 13.644 ( 0.441 -0.000 -5.184) 5.202 14.086 ( -2.159 -0.000 -4.284) 4.798 14.379 ( -3.715 -0.000 -16.109) 16.532 15.533 ( 2.400 0.000 1.246) 2.704 15.683 ( -2.228 0.000 1.623) 2.756 16.008 ( 0.945 0.000 2.693) 2.854 16.152 ( 0.264 0.000 6.565) 6.571 17.468 ( 3.829 -0.000 -22.038) 22.368 18.332 ( -0.536 0.000 8.203) 8.221 18.548 ( -1.608 0.000 6.285) 6.488 19.235 ( 0.910 0.000 1.708) 1.935 ======================= Grid point 307 (142/148) ======================= q-point: ( 0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -0.000 -2.192 -0.000) 2.192 2.953 ( 0.000 23.574 0.000) 23.574 3.069 ( -0.000 -4.666 -0.000) 4.666 3.369 ( -0.000 -5.187 -0.000) 5.187 3.644 ( -0.000 -5.191 -0.000) 5.191 3.869 ( 0.000 0.781 0.000) 0.781 4.218 ( -0.000 -0.074 -0.000) 0.074 4.257 ( -0.000 -5.207 -0.000) 5.207 4.843 ( -0.000 -1.406 -0.000) 1.406 4.899 ( -0.000 -9.217 -0.000) 9.217 5.230 ( -0.000 -0.806 -0.000) 0.806 5.748 ( 0.000 15.053 0.000) 15.053 6.382 ( 0.000 23.656 0.000) 23.656 7.806 ( -0.000 -2.674 -0.000) 2.674 7.924 ( -0.000 -5.526 -0.000) 5.526 8.655 ( -0.000 -7.230 -0.000) 7.230 8.778 ( -0.000 -6.300 -0.000) 6.300 9.010 ( 0.000 4.397 0.000) 4.397 9.832 ( 0.000 14.454 0.000) 14.454 9.990 ( -0.000 -3.628 -0.000) 3.628 10.525 ( -0.000 -11.146 -0.000) 11.146 10.581 ( 0.000 5.703 0.000) 5.703 10.723 ( 0.000 17.325 0.000) 17.325 11.060 ( 0.000 3.993 0.000) 3.993 11.358 ( 0.000 1.950 0.000) 1.950 11.727 ( -0.000 -3.691 -0.000) 3.691 11.791 ( -0.000 -13.518 -0.000) 13.518 12.432 ( -0.000 -2.164 -0.000) 2.164 12.524 ( -0.000 -15.140 -0.000) 15.140 12.609 ( 0.000 0.520 0.000) 0.520 12.957 ( 0.000 15.314 0.000) 15.314 13.721 ( 0.000 1.029 0.000) 1.029 14.037 ( 0.000 5.125 0.000) 5.125 14.664 ( -0.000 -3.302 -0.000) 3.302 15.535 ( -0.000 -1.805 -0.000) 1.805 15.676 ( 0.000 0.829 0.000) 0.829 15.894 ( 0.000 7.339 0.000) 7.339 15.963 ( 0.000 0.352 0.000) 0.352 17.916 ( -0.000 -8.534 -0.000) 8.534 18.026 ( 0.000 6.185 0.000) 6.185 18.747 ( -0.000 -8.460 -0.000) 8.460 19.053 ( 0.000 6.492 0.000) 6.492 ======================= Grid point 310 (143/148) ======================= q-point: ( 0.37 0.62 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 7.389 -0.306 -0.000) 7.396 2.827 ( -4.191 -11.988 -0.000) 12.700 3.211 ( -4.083 1.316 0.000) 4.290 3.416 ( 1.088 11.323 0.000) 11.375 3.549 ( 0.253 -4.884 -0.000) 4.890 3.831 ( -3.615 0.503 0.000) 3.650 4.066 ( -6.497 -10.618 -0.000) 12.448 4.292 ( -1.503 8.043 0.000) 8.182 4.676 ( -5.733 -7.839 -0.000) 9.712 4.770 ( 2.628 -0.768 -0.000) 2.738 5.462 ( 21.691 -1.254 -0.000) 21.727 5.909 ( -8.878 7.715 0.000) 11.762 6.731 ( -1.795 12.315 0.000) 12.446 7.921 ( 14.721 -1.434 -0.000) 14.791 7.935 ( 11.367 -2.946 -0.000) 11.743 8.540 ( -0.760 -3.562 -0.000) 3.642 8.759 ( 7.655 -0.413 -0.000) 7.666 9.111 ( 0.911 2.267 0.000) 2.443 9.901 ( -3.482 -1.509 -0.000) 3.795 10.008 ( -7.118 10.823 0.000) 12.954 10.315 ( -1.160 -9.014 -0.000) 9.088 10.537 ( -9.894 -0.630 -0.000) 9.914 10.985 ( -5.112 11.329 0.000) 12.429 11.172 ( -2.235 9.077 0.000) 9.348 11.409 ( 1.749 0.369 0.000) 1.787 11.448 ( -9.364 -6.677 -0.000) 11.501 11.670 ( -1.114 -2.803 -0.000) 3.016 12.057 ( -10.987 -13.044 -0.000) 17.054 12.395 ( 4.515 -2.821 -0.000) 5.324 12.869 ( 15.896 -0.783 -0.000) 15.915 13.202 ( 1.856 7.101 0.000) 7.340 13.717 ( 0.416 -1.982 -0.000) 2.025 14.104 ( -1.368 2.313 0.000) 2.687 14.562 ( -4.937 -1.514 -0.000) 5.164 15.530 ( 2.027 -0.941 -0.000) 2.235 15.662 ( -2.518 0.549 0.000) 2.577 15.958 ( -0.191 -0.464 -0.000) 0.502 16.045 ( 1.889 5.728 0.000) 6.032 17.786 ( 1.049 -5.034 -0.000) 5.142 18.165 ( 4.780 3.405 0.000) 5.869 18.550 ( -4.978 -5.900 -0.000) 7.719 19.175 ( 1.035 4.238 0.000) 4.362 ======================= Grid point 312 (144/148) ======================= q-point: ( 0.37 0.62 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -10.383 0.000 -0.000) 10.383 2.816 ( 11.367 -0.000 0.000) 11.367 3.176 ( -0.823 0.000 -0.000) 0.823 3.337 ( -16.273 0.000 -0.000) 16.273 3.484 ( -0.385 0.000 -0.000) 0.385 3.768 ( -5.421 0.000 -0.000) 5.421 3.841 ( -3.394 0.000 -0.000) 3.394 4.330 ( -13.646 0.000 -0.000) 13.646 4.473 ( 3.920 -0.000 0.000) 3.920 4.855 ( 4.247 -0.000 0.000) 4.247 5.678 ( -20.152 0.000 -0.000) 20.152 6.007 ( 32.657 -0.000 0.000) 32.657 6.815 ( 0.420 -0.000 0.000) 0.420 8.254 ( 21.032 -0.000 0.000) 21.032 8.289 ( 21.666 -0.000 0.000) 21.666 8.466 ( -4.594 0.000 -0.000) 4.594 9.047 ( 16.955 -0.000 0.000) 16.955 9.109 ( -0.751 0.000 -0.000) 0.751 9.793 ( -5.656 0.000 -0.000) 5.656 9.890 ( -19.065 0.000 -0.000) 19.065 10.170 ( 0.415 -0.000 0.000) 0.415 10.300 ( -12.518 0.000 -0.000) 12.518 10.910 ( -12.144 0.000 -0.000) 12.144 10.954 ( -17.548 0.000 -0.000) 17.548 11.437 ( 1.676 -0.000 0.000) 1.676 11.461 ( -0.390 0.000 -0.000) 0.390 11.616 ( -0.648 0.000 -0.000) 0.648 11.633 ( -10.779 0.000 -0.000) 10.779 12.543 ( 10.750 -0.000 0.000) 10.750 13.136 ( 11.290 -0.000 0.000) 11.290 13.301 ( 1.198 -0.000 0.000) 1.198 13.688 ( -0.194 0.000 -0.000) 0.194 14.060 ( -4.988 0.000 -0.000) 4.988 14.414 ( -8.343 0.000 -0.000) 8.343 15.568 ( 2.348 -0.000 0.000) 2.348 15.616 ( -2.166 0.000 -0.000) 2.166 15.947 ( -0.323 0.000 -0.000) 0.323 16.169 ( 4.115 -0.000 0.000) 4.115 17.751 ( -1.089 0.000 -0.000) 1.089 18.333 ( 7.629 -0.000 0.000) 7.629 18.362 ( -6.186 0.000 -0.000) 6.186 19.244 ( 1.498 -0.000 0.000) 1.498 ======================= Grid point 345 (145/148) ======================= q-point: (-0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -0.000 -0.000 -10.029) 10.029 2.646 ( -0.000 -0.000 -10.729) 10.729 3.140 ( -0.000 -0.000 -2.831) 2.831 3.617 ( 0.000 0.000 8.451) 8.451 3.699 ( 0.000 0.000 3.153) 3.153 3.767 ( -0.000 -0.000 -10.249) 10.249 3.867 ( -0.000 -0.000 -4.667) 4.667 4.281 ( -0.000 -0.000 -12.284) 12.284 4.563 ( -0.000 -0.000 -10.493) 10.493 4.820 ( 0.000 0.000 0.305) 0.305 5.092 ( -0.000 -0.000 -7.124) 7.124 5.972 ( -0.000 -0.000 -12.352) 12.352 6.833 ( -0.000 -0.000 -4.243) 4.243 7.720 ( -0.000 -0.000 -1.649) 1.649 7.814 ( 0.000 0.000 2.880) 2.880 8.672 ( 0.000 0.000 15.606) 15.606 8.728 ( 0.000 0.000 9.199) 9.199 9.241 ( 0.000 0.000 9.139) 9.139 9.804 ( -0.000 -0.000 -10.714) 10.714 10.150 ( -0.000 -0.000 -0.402) 0.402 10.337 ( 0.000 0.000 4.693) 4.693 10.640 ( 0.000 0.000 0.017) 0.017 10.964 ( -0.000 -0.000 -15.583) 15.583 11.376 ( -0.000 -0.000 -2.346) 2.346 11.383 ( -0.000 -0.000 -6.319) 6.319 11.471 ( 0.000 0.000 8.740) 8.740 11.628 ( -0.000 -0.000 -2.295) 2.295 11.731 ( -0.000 -0.000 -20.906) 20.906 12.623 ( -0.000 -0.000 -3.097) 3.097 12.637 ( 0.000 0.000 20.999) 20.999 13.298 ( 0.000 0.000 4.152) 4.152 13.641 ( -0.000 -0.000 -6.013) 6.013 14.106 ( -0.000 -0.000 -3.979) 3.979 14.416 ( -0.000 -0.000 -17.029) 17.029 15.507 ( 0.000 0.000 0.860) 0.860 15.708 ( 0.000 0.000 1.393) 1.393 15.996 ( 0.000 0.000 1.502) 1.502 16.152 ( 0.000 0.000 8.418) 8.418 17.428 ( -0.000 -0.000 -23.229) 23.229 18.325 ( 0.000 0.000 11.954) 11.954 18.576 ( 0.000 0.000 3.501) 3.501 19.226 ( 0.000 0.000 1.776) 1.776 ======================= Grid point 362 (146/148) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -0.000 -0.661 -0.000) 0.661 2.869 ( -0.000 -11.735 -0.000) 11.735 3.262 ( -0.000 -4.917 -0.000) 4.917 3.388 ( 0.000 20.248 0.000) 20.248 3.548 ( -0.000 -3.951 -0.000) 3.951 3.876 ( 0.000 0.030 0.000) 0.030 4.100 ( -0.000 -10.703 -0.000) 10.703 4.303 ( 0.000 6.462 0.000) 6.462 4.744 ( -0.000 -6.606 -0.000) 6.606 4.822 ( -0.000 -0.627 -0.000) 0.627 5.187 ( -0.000 -2.279 -0.000) 2.279 5.996 ( 0.000 9.524 0.000) 9.524 6.753 ( 0.000 13.387 0.000) 13.387 7.766 ( -0.000 -1.297 -0.000) 1.297 7.818 ( -0.000 -4.635 -0.000) 4.635 8.545 ( -0.000 -3.853 -0.000) 3.853 8.675 ( -0.000 -3.900 -0.000) 3.900 9.106 ( 0.000 4.321 0.000) 4.321 9.937 ( -0.000 -1.738 -0.000) 1.738 10.076 ( 0.000 9.250 0.000) 9.250 10.331 ( -0.000 -7.150 -0.000) 7.150 10.630 ( 0.000 0.333 0.000) 0.333 11.037 ( 0.000 13.480 0.000) 13.480 11.200 ( 0.000 8.717 0.000) 8.717 11.389 ( 0.000 1.112 0.000) 1.112 11.551 ( -0.000 -9.921 -0.000) 9.921 11.673 ( -0.000 -1.833 -0.000) 1.833 12.240 ( -0.000 -12.695 -0.000) 12.695 12.351 ( -0.000 -5.337 -0.000) 5.337 12.636 ( 0.000 1.545 0.000) 1.545 13.182 ( 0.000 7.625 0.000) 7.625 13.713 ( -0.000 -1.132 -0.000) 1.132 14.116 ( 0.000 2.857 0.000) 2.857 14.612 ( -0.000 -1.711 -0.000) 1.711 15.508 ( -0.000 -0.993 -0.000) 0.993 15.690 ( 0.000 0.506 0.000) 0.506 15.960 ( -0.000 -0.409 -0.000) 0.409 16.026 ( 0.000 5.425 0.000) 5.425 17.774 ( -0.000 -5.453 -0.000) 5.453 18.115 ( 0.000 2.957 0.000) 2.957 18.602 ( -0.000 -5.692 -0.000) 5.692 19.164 ( 0.000 4.292 0.000) 4.292 ======================= Grid point 364 (147/148) ======================= q-point: ( 0.44 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 8.005 -0.000 0.000) 8.005 2.690 ( -4.689 0.000 -0.000) 4.689 3.197 ( -1.008 0.000 -0.000) 1.008 3.498 ( -0.738 0.000 -0.000) 0.738 3.591 ( -8.342 0.000 -0.000) 8.342 3.863 ( -2.639 0.000 -0.000) 2.639 3.894 ( -1.813 0.000 -0.000) 1.813 4.409 ( 2.263 -0.000 0.000) 2.263 4.568 ( -9.206 0.000 -0.000) 9.206 4.762 ( 1.255 -0.000 0.000) 1.255 5.447 ( 22.554 -0.000 0.000) 22.554 5.988 ( -10.577 0.000 -0.000) 10.577 6.853 ( -2.762 0.000 -0.000) 2.762 7.904 ( 13.010 -0.000 0.000) 13.010 7.906 ( 14.604 -0.000 0.000) 14.604 8.505 ( -0.467 0.000 -0.000) 0.467 8.754 ( 11.257 -0.000 0.000) 11.257 9.138 ( -1.328 0.000 -0.000) 1.328 9.886 ( -3.330 0.000 -0.000) 3.330 10.159 ( 0.506 -0.000 0.000) 0.506 10.184 ( -9.610 0.000 -0.000) 9.610 10.533 ( -9.302 0.000 -0.000) 9.302 11.110 ( -7.317 0.000 -0.000) 7.317 11.221 ( -8.948 0.000 -0.000) 8.948 11.409 ( 0.963 -0.000 0.000) 0.963 11.450 ( 0.708 -0.000 0.000) 0.708 11.643 ( -1.257 0.000 -0.000) 1.257 11.890 ( -14.416 0.000 -0.000) 14.416 12.357 ( 7.122 -0.000 0.000) 7.122 12.863 ( 15.023 -0.000 0.000) 15.023 13.272 ( 1.374 -0.000 0.000) 1.374 13.694 ( -0.366 0.000 -0.000) 0.366 14.127 ( -1.921 0.000 -0.000) 1.921 14.548 ( -4.748 0.000 -0.000) 4.748 15.521 ( 2.076 -0.000 0.000) 2.076 15.667 ( -2.449 0.000 -0.000) 2.449 15.953 ( -0.214 0.000 -0.000) 0.214 16.105 ( 2.202 -0.000 0.000) 2.202 17.734 ( 1.425 -0.000 0.000) 1.425 18.199 ( 5.203 -0.000 0.000) 5.203 18.489 ( -5.175 0.000 -0.000) 5.175 19.218 ( 0.974 -0.000 0.000) 0.974 ======================= Grid point 415 (148/148) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -0.000 -0.000 -0.000) 0.000 2.736 ( -0.000 -0.000 -0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.506 ( -0.000 -0.000 -0.000) 0.000 3.669 ( -0.000 -0.000 -0.000) 0.000 3.875 ( -0.000 -0.000 -0.000) 0.000 3.912 ( -0.000 -0.000 -0.000) 0.000 4.386 ( -0.000 -0.000 -0.000) 0.000 4.665 ( -0.000 -0.000 -0.000) 0.000 4.817 ( -0.000 -0.000 -0.000) 0.000 5.163 ( -0.000 -0.000 -0.000) 0.000 6.094 ( -0.000 -0.000 -0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 7.754 ( -0.000 -0.000 -0.000) 0.000 7.768 ( -0.000 -0.000 -0.000) 0.000 8.507 ( -0.000 -0.000 -0.000) 0.000 8.635 ( -0.000 -0.000 -0.000) 0.000 9.152 ( -0.000 -0.000 -0.000) 0.000 9.920 ( -0.000 -0.000 -0.000) 0.000 10.154 ( -0.000 -0.000 -0.000) 0.000 10.279 ( -0.000 -0.000 -0.000) 0.000 10.629 ( -0.000 -0.000 -0.000) 0.000 11.186 ( 0.000 0.000 0.000) 0.000 11.309 ( -0.000 -0.000 -0.000) 0.000 11.400 ( -0.000 -0.000 -0.000) 0.000 11.445 ( -0.000 -0.000 -0.000) 0.000 11.655 ( -0.000 -0.000 -0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 12.282 ( -0.000 -0.000 -0.000) 0.000 12.653 ( -0.000 -0.000 -0.000) 0.000 13.257 ( -0.000 -0.000 -0.000) 0.000 13.699 ( -0.000 -0.000 -0.000) 0.000 14.145 ( -0.000 -0.000 -0.000) 0.000 14.596 ( -0.000 -0.000 -0.000) 0.000 15.498 ( -0.000 -0.000 -0.000) 0.000 15.695 ( -0.000 -0.000 -0.000) 0.000 15.955 ( -0.000 -0.000 -0.000) 0.000 16.083 ( -0.000 -0.000 -0.000) 0.000 17.718 ( 0.000 0.000 0.000) 0.000 18.144 ( -0.000 -0.000 -0.000) 0.000 18.543 ( -0.000 -0.000 -0.000) 0.000 19.208 ( -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 3/32256 10.0 6048.541 5069.784 10683.952 0.000 0.000 0.000 3/32256 20.0 2084.199 2252.436 2597.390 0.000 0.000 0.000 3/32256 30.0 787.755 915.930 850.029 0.000 0.000 0.000 3/32256 40.0 436.633 532.793 463.443 0.000 0.000 0.000 3/32256 50.0 289.185 362.875 306.746 0.000 0.000 0.000 3/32256 60.0 207.334 263.071 219.377 0.000 0.000 0.000 3/32256 70.0 155.371 197.068 163.233 0.000 0.000 0.000 3/32256 80.0 120.415 151.622 125.130 0.000 0.000 0.000 3/32256 90.0 96.117 119.706 98.573 0.000 0.000 0.000 3/32256 100.0 78.760 96.868 79.653 0.000 0.000 0.000 3/32256 110.0 66.033 80.186 65.872 0.000 0.000 0.000 3/32256 120.0 56.464 67.735 55.604 0.000 0.000 0.000 3/32256 130.0 49.101 58.240 47.784 0.000 0.000 0.000 3/32256 140.0 43.312 50.852 41.703 0.000 0.000 0.000 3/32256 150.0 38.674 44.993 36.884 0.000 0.000 0.000 3/32256 160.0 34.894 40.267 32.998 0.000 0.000 0.000 3/32256 170.0 31.765 36.395 29.815 0.000 0.000 0.000 3/32256 180.0 29.140 33.177 27.170 0.000 0.000 0.000 3/32256 190.0 26.911 30.469 24.944 0.000 0.000 0.000 3/32256 200.0 24.998 28.165 23.050 0.000 0.000 0.000 3/32256 210.0 23.340 26.182 21.421 0.000 0.000 0.000 3/32256 220.0 21.891 24.462 20.007 0.000 0.000 0.000 3/32256 230.0 20.613 22.955 18.769 0.000 0.000 0.000 3/32256 240.0 19.479 21.627 17.678 0.000 0.000 0.000 3/32256 250.0 18.467 20.446 16.708 0.000 0.000 0.000 3/32256 260.0 17.557 19.391 15.842 0.000 0.000 0.000 3/32256 270.0 16.735 18.443 15.063 0.000 0.000 0.000 3/32256 280.0 15.989 17.586 14.360 0.000 0.000 0.000 3/32256 290.0 15.309 16.808 13.721 0.000 0.000 0.000 3/32256 300.0 14.687 16.098 13.139 0.000 0.000 0.000 3/32256 310.0 14.114 15.448 12.605 0.000 0.000 0.000 3/32256 320.0 13.587 14.850 12.115 0.000 0.000 0.000 3/32256 330.0 13.098 14.299 11.663 0.000 0.000 0.000 3/32256 340.0 12.645 13.788 11.245 0.000 0.000 0.000 3/32256 350.0 12.224 13.315 10.856 0.000 0.000 0.000 3/32256 360.0 11.830 12.874 10.495 0.000 0.000 0.000 3/32256 370.0 11.462 12.462 10.158 0.000 0.000 0.000 3/32256 380.0 11.117 12.077 9.843 0.000 0.000 0.000 3/32256 390.0 10.793 11.716 9.547 0.000 0.000 0.000 3/32256 400.0 10.488 11.377 9.270 0.000 0.000 0.000 3/32256 410.0 10.201 11.058 9.008 0.000 0.000 0.000 3/32256 420.0 9.929 10.757 8.762 0.000 0.000 0.000 3/32256 430.0 9.672 10.472 8.529 0.000 0.000 0.000 3/32256 440.0 9.428 10.203 8.309 0.000 0.000 0.000 3/32256 450.0 9.197 9.948 8.100 0.000 0.000 0.000 3/32256 460.0 8.977 9.705 7.902 0.000 0.000 0.000 3/32256 470.0 8.768 9.475 7.714 0.000 0.000 0.000 3/32256 480.0 8.568 9.255 7.534 0.000 0.000 0.000 3/32256 490.0 8.378 9.046 7.363 0.000 0.000 0.000 3/32256 500.0 8.196 8.847 7.200 0.000 0.000 0.000 3/32256 510.0 8.022 8.656 7.045 0.000 0.000 0.000 3/32256 520.0 7.856 8.474 6.896 0.000 0.000 0.000 3/32256 530.0 7.697 8.299 6.753 0.000 0.000 0.000 3/32256 540.0 7.544 8.132 6.617 0.000 0.000 0.000 3/32256 550.0 7.397 7.971 6.486 0.000 0.000 0.000 3/32256 560.0 7.256 7.817 6.360 0.000 0.000 0.000 3/32256 570.0 7.120 7.669 6.239 0.000 0.000 0.000 3/32256 580.0 6.990 7.527 6.123 0.000 0.000 0.000 3/32256 590.0 6.864 7.390 6.011 0.000 0.000 0.000 3/32256 600.0 6.743 7.258 5.903 0.000 0.000 0.000 3/32256 610.0 6.626 7.131 5.800 0.000 0.000 0.000 3/32256 620.0 6.513 7.008 5.699 0.000 0.000 0.000 3/32256 630.0 6.404 6.889 5.603 0.000 0.000 0.000 3/32256 640.0 6.299 6.775 5.509 0.000 0.000 0.000 3/32256 650.0 6.197 6.664 5.419 0.000 0.000 0.000 3/32256 660.0 6.099 6.557 5.332 0.000 0.000 0.000 3/32256 670.0 6.004 6.454 5.248 0.000 0.000 0.000 3/32256 680.0 5.911 6.353 5.166 0.000 0.000 0.000 3/32256 690.0 5.822 6.256 5.087 0.000 0.000 0.000 3/32256 700.0 5.735 6.162 5.010 0.000 0.000 0.000 3/32256 710.0 5.651 6.071 4.936 0.000 0.000 0.000 3/32256 720.0 5.569 5.982 4.864 0.000 0.000 0.000 3/32256 730.0 5.490 5.896 4.794 0.000 0.000 0.000 3/32256 740.0 5.413 5.813 4.726 0.000 0.000 0.000 3/32256 750.0 5.338 5.732 4.660 0.000 0.000 0.000 3/32256 760.0 5.265 5.653 4.595 0.000 0.000 0.000 3/32256 770.0 5.194 5.576 4.533 0.000 0.000 0.000 3/32256 780.0 5.125 5.502 4.472 0.000 0.000 0.000 3/32256 790.0 5.058 5.429 4.413 0.000 0.000 0.000 3/32256 800.0 4.993 5.359 4.356 0.000 0.000 0.000 3/32256 810.0 4.929 5.290 4.300 0.000 0.000 0.000 3/32256 820.0 4.867 5.223 4.245 0.000 0.000 0.000 3/32256 830.0 4.807 5.158 4.192 0.000 0.000 0.000 3/32256 840.0 4.748 5.094 4.140 0.000 0.000 0.000 3/32256 850.0 4.691 5.032 4.090 0.000 0.000 0.000 3/32256 860.0 4.635 4.971 4.040 0.000 0.000 0.000 3/32256 870.0 4.580 4.912 3.992 0.000 0.000 0.000 3/32256 880.0 4.526 4.855 3.945 0.000 0.000 0.000 3/32256 890.0 4.474 4.798 3.899 0.000 0.000 0.000 3/32256 900.0 4.423 4.743 3.855 0.000 0.000 0.000 3/32256 910.0 4.373 4.690 3.811 0.000 0.000 0.000 3/32256 920.0 4.325 4.637 3.768 0.000 0.000 0.000 3/32256 930.0 4.277 4.586 3.726 0.000 0.000 0.000 3/32256 940.0 4.230 4.535 3.685 0.000 0.000 0.000 3/32256 950.0 4.185 4.486 3.645 0.000 0.000 0.000 3/32256 960.0 4.140 4.438 3.606 0.000 0.000 0.000 3/32256 970.0 4.097 4.391 3.568 0.000 0.000 0.000 3/32256 980.0 4.054 4.345 3.531 0.000 0.000 0.000 3/32256 990.0 4.012 4.300 3.494 0.000 0.000 0.000 3/32256 1000.0 3.971 4.256 3.458 0.000 0.000 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m2848.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:43:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|