----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:15:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.417253844999999 7.308636925000000 b 2.170091250000000 0.000000000000000 7.308636925000000 c 2.170091250000000 5.417253844999999 0.000000000000000 Atomic positions (fractional): *1 O 0.92649345840683 0.69438308759709 0.41638512021272 15.999 2 O 0.96273833378336 0.41638512021272 0.69438308759709 15.999 3 O 0.41638512021272 0.96273833378336 0.92649345840683 15.999 4 O 0.69438308759709 0.92649345840683 0.96273833378336 15.999 5 O 0.32350654159317 0.55561691240291 0.83361487978728 15.999 6 O 0.28726166621664 0.83361487978728 0.55561691240291 15.999 7 O 0.55561691240290 0.32350654159317 0.28726166621664 15.999 8 O 0.83361487978728 0.28726166621664 0.32350654159317 15.999 *9 S 0.75000000000000 0.75000000000000 0.75000000000000 32.065 10 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 *11 Cu 0.44585346250231 0.44585346250231 0.05414653749769 63.546 12 Cu 0.05414653749769 0.05414653749769 0.44585346250231 63.546 13 Cu 0.80414653749769 0.80414653749769 0.19585346250231 63.546 14 Cu 0.19585346250231 0.19585346250231 0.80414653749769 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.340182500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.834507689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.617273850000000 Atomic positions (fractional): *1 O 0.55538410390491 0.67143928930977 0.81043827300196 15.999 > 1 2 O 0.55538410390491 0.82856071069023 0.68956172699804 15.999 > 2 3 O 0.94461589609509 0.67143928930977 0.68956172699804 15.999 > 3 4 O 0.94461589609509 0.82856071069023 0.81043827300196 15.999 > 4 5 O 0.19461589609509 0.57856071069023 0.93956172699804 15.999 > 5 6 O 0.19461589609509 0.92143928930977 0.56043827300196 15.999 > 6 7 O 0.30538410390491 0.92143928930977 0.93956172699804 15.999 > 7 8 O 0.30538410390491 0.57856071069023 0.56043827300196 15.999 > 8 9 O 0.55538410390491 0.17143928930977 0.31043827300196 15.999 > 1 10 O 0.55538410390491 0.32856071069023 0.18956172699804 15.999 > 2 11 O 0.94461589609509 0.17143928930977 0.18956172699804 15.999 > 3 12 O 0.94461589609509 0.32856071069023 0.31043827300196 15.999 > 4 13 O 0.19461589609509 0.07856071069023 0.43956172699804 15.999 > 5 14 O 0.19461589609509 0.42143928930977 0.06043827300196 15.999 > 6 15 O 0.30538410390491 0.42143928930977 0.43956172699804 15.999 > 7 16 O 0.30538410390491 0.07856071069023 0.06043827300196 15.999 > 8 17 O 0.05538410390491 0.67143928930977 0.31043827300196 15.999 > 1 18 O 0.05538410390491 0.82856071069023 0.18956172699804 15.999 > 2 19 O 0.44461589609509 0.67143928930977 0.18956172699804 15.999 > 3 20 O 0.44461589609509 0.82856071069023 0.31043827300196 15.999 > 4 21 O 0.69461589609509 0.57856071069023 0.43956172699804 15.999 > 5 22 O 0.69461589609509 0.92143928930977 0.06043827300196 15.999 > 6 23 O 0.80538410390491 0.92143928930977 0.43956172699804 15.999 > 7 24 O 0.80538410390491 0.57856071069023 0.06043827300196 15.999 > 8 25 O 0.05538410390491 0.17143928930977 0.81043827300196 15.999 > 1 26 O 0.05538410390491 0.32856071069023 0.68956172699804 15.999 > 2 27 O 0.44461589609509 0.17143928930977 0.68956172699804 15.999 > 3 28 O 0.44461589609509 0.32856071069023 0.81043827300196 15.999 > 4 29 O 0.69461589609509 0.07856071069023 0.93956172699804 15.999 > 5 30 O 0.69461589609509 0.42143928930977 0.56043827300196 15.999 > 6 31 O 0.80538410390491 0.42143928930977 0.93956172699804 15.999 > 7 32 O 0.80538410390491 0.07856071069023 0.56043827300196 15.999 > 8 *33 S 0.75000000000000 0.75000000000000 0.75000000000000 32.065 > 9 34 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 10 35 S 0.75000000000000 0.25000000000000 0.25000000000000 32.065 > 9 36 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 10 37 S 0.25000000000000 0.75000000000000 0.25000000000000 32.065 > 9 38 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 10 39 S 0.25000000000000 0.25000000000000 0.75000000000000 32.065 > 9 40 S 0.00000000000000 0.50000000000000 0.00000000000000 32.065 > 10 *41 Cu 0.25000000000000 0.75000000000000 0.94585346250231 63.546 > 11 42 Cu 0.25000000000000 0.75000000000000 0.55414653749769 63.546 > 12 43 Cu 0.00000000000000 0.00000000000000 0.80414653749769 63.546 > 13 44 Cu 0.50000000000000 0.00000000000000 0.69585346250231 63.546 > 14 45 Cu 0.25000000000000 0.25000000000000 0.44585346250231 63.546 > 11 46 Cu 0.25000000000000 0.25000000000000 0.05414653749769 63.546 > 12 47 Cu 0.00000000000000 0.50000000000000 0.30414653749769 63.546 > 13 48 Cu 0.50000000000000 0.50000000000000 0.19585346250231 63.546 > 14 49 Cu 0.75000000000000 0.75000000000000 0.44585346250231 63.546 > 11 50 Cu 0.75000000000000 0.75000000000000 0.05414653749769 63.546 > 12 51 Cu 0.50000000000000 0.00000000000000 0.30414653749769 63.546 > 13 52 Cu 0.00000000000000 0.00000000000000 0.19585346250231 63.546 > 14 53 Cu 0.75000000000000 0.25000000000000 0.94585346250231 63.546 > 11 54 Cu 0.75000000000000 0.25000000000000 0.55414653749769 63.546 > 12 55 Cu 0.50000000000000 0.50000000000000 0.80414653749769 63.546 > 13 56 Cu 0.00000000000000 0.50000000000000 0.69585346250231 63.546 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.680365000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.834507689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.617273850000000 Atomic positions (fractional): *1 O 0.27769205195245 0.67143928930977 0.81043827300196 15.999 > 1 2 O 0.77769205195245 0.67143928930977 0.81043827300196 15.999 > 1 3 O 0.27769205195245 0.82856071069023 0.68956172699804 15.999 > 2 4 O 0.77769205195245 0.82856071069023 0.68956172699804 15.999 > 2 5 O 0.47230794804755 0.67143928930977 0.68956172699804 15.999 > 3 6 O 0.97230794804755 0.67143928930977 0.68956172699804 15.999 > 3 7 O 0.47230794804755 0.82856071069023 0.81043827300196 15.999 > 4 8 O 0.97230794804755 0.82856071069023 0.81043827300196 15.999 > 4 9 O 0.09730794804755 0.57856071069023 0.93956172699804 15.999 > 5 10 O 0.59730794804755 0.57856071069023 0.93956172699804 15.999 > 5 11 O 0.09730794804755 0.92143928930977 0.56043827300196 15.999 > 6 12 O 0.59730794804755 0.92143928930977 0.56043827300196 15.999 > 6 13 O 0.15269205195245 0.92143928930977 0.93956172699804 15.999 > 7 14 O 0.65269205195245 0.92143928930977 0.93956172699804 15.999 > 7 15 O 0.15269205195245 0.57856071069023 0.56043827300196 15.999 > 8 16 O 0.65269205195245 0.57856071069023 0.56043827300196 15.999 > 8 17 O 0.27769205195245 0.17143928930977 0.31043827300196 15.999 > 1 18 O 0.77769205195245 0.17143928930977 0.31043827300196 15.999 > 1 19 O 0.27769205195245 0.32856071069023 0.18956172699804 15.999 > 2 20 O 0.77769205195245 0.32856071069023 0.18956172699804 15.999 > 2 21 O 0.47230794804755 0.17143928930977 0.18956172699804 15.999 > 3 22 O 0.97230794804755 0.17143928930977 0.18956172699804 15.999 > 3 23 O 0.47230794804755 0.32856071069023 0.31043827300196 15.999 > 4 24 O 0.97230794804755 0.32856071069023 0.31043827300196 15.999 > 4 25 O 0.09730794804755 0.07856071069023 0.43956172699804 15.999 > 5 26 O 0.59730794804755 0.07856071069023 0.43956172699804 15.999 > 5 27 O 0.09730794804755 0.42143928930977 0.06043827300196 15.999 > 6 28 O 0.59730794804755 0.42143928930977 0.06043827300196 15.999 > 6 29 O 0.15269205195245 0.42143928930977 0.43956172699804 15.999 > 7 30 O 0.65269205195245 0.42143928930977 0.43956172699804 15.999 > 7 31 O 0.15269205195245 0.07856071069023 0.06043827300196 15.999 > 8 32 O 0.65269205195245 0.07856071069023 0.06043827300196 15.999 > 8 33 O 0.02769205195245 0.67143928930977 0.31043827300196 15.999 > 1 34 O 0.52769205195245 0.67143928930977 0.31043827300196 15.999 > 1 35 O 0.02769205195245 0.82856071069023 0.18956172699804 15.999 > 2 36 O 0.52769205195245 0.82856071069023 0.18956172699804 15.999 > 2 37 O 0.22230794804755 0.67143928930977 0.18956172699804 15.999 > 3 38 O 0.72230794804755 0.67143928930977 0.18956172699804 15.999 > 3 39 O 0.22230794804755 0.82856071069023 0.31043827300196 15.999 > 4 40 O 0.72230794804755 0.82856071069023 0.31043827300196 15.999 > 4 41 O 0.34730794804755 0.57856071069023 0.43956172699804 15.999 > 5 42 O 0.84730794804755 0.57856071069023 0.43956172699804 15.999 > 5 43 O 0.34730794804755 0.92143928930977 0.06043827300196 15.999 > 6 44 O 0.84730794804755 0.92143928930977 0.06043827300196 15.999 > 6 45 O 0.40269205195245 0.92143928930977 0.43956172699804 15.999 > 7 46 O 0.90269205195245 0.92143928930977 0.43956172699804 15.999 > 7 47 O 0.40269205195245 0.57856071069023 0.06043827300196 15.999 > 8 48 O 0.90269205195245 0.57856071069023 0.06043827300196 15.999 > 8 49 O 0.02769205195245 0.17143928930977 0.81043827300196 15.999 > 1 50 O 0.52769205195245 0.17143928930977 0.81043827300196 15.999 > 1 51 O 0.02769205195245 0.32856071069023 0.68956172699804 15.999 > 2 52 O 0.52769205195245 0.32856071069023 0.68956172699804 15.999 > 2 53 O 0.22230794804755 0.17143928930977 0.68956172699804 15.999 > 3 54 O 0.72230794804755 0.17143928930977 0.68956172699804 15.999 > 3 55 O 0.22230794804755 0.32856071069023 0.81043827300196 15.999 > 4 56 O 0.72230794804755 0.32856071069023 0.81043827300196 15.999 > 4 57 O 0.34730794804755 0.07856071069023 0.93956172699804 15.999 > 5 58 O 0.84730794804755 0.07856071069023 0.93956172699804 15.999 > 5 59 O 0.34730794804755 0.42143928930977 0.56043827300196 15.999 > 6 60 O 0.84730794804755 0.42143928930977 0.56043827300196 15.999 > 6 61 O 0.40269205195245 0.42143928930977 0.93956172699804 15.999 > 7 62 O 0.90269205195245 0.42143928930977 0.93956172699804 15.999 > 7 63 O 0.40269205195245 0.07856071069023 0.56043827300196 15.999 > 8 64 O 0.90269205195245 0.07856071069023 0.56043827300196 15.999 > 8 *65 S 0.37500000000000 0.75000000000000 0.75000000000000 32.065 > 9 66 S 0.87500000000000 0.75000000000000 0.75000000000000 32.065 > 9 67 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 10 68 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 10 69 S 0.37500000000000 0.25000000000000 0.25000000000000 32.065 > 9 70 S 0.87500000000000 0.25000000000000 0.25000000000000 32.065 > 9 71 S 0.25000000000000 0.50000000000000 0.50000000000000 32.065 > 10 72 S 0.75000000000000 0.50000000000000 0.50000000000000 32.065 > 10 73 S 0.12500000000000 0.75000000000000 0.25000000000000 32.065 > 9 74 S 0.62500000000000 0.75000000000000 0.25000000000000 32.065 > 9 75 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 10 76 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 10 77 S 0.12500000000000 0.25000000000000 0.75000000000000 32.065 > 9 78 S 0.62500000000000 0.25000000000000 0.75000000000000 32.065 > 9 79 S 0.00000000000000 0.50000000000000 0.00000000000000 32.065 > 10 80 S 0.50000000000000 0.50000000000000 0.00000000000000 32.065 > 10 *81 Cu 0.12500000000000 0.75000000000000 0.94585346250231 63.546 > 11 82 Cu 0.62500000000000 0.75000000000000 0.94585346250231 63.546 > 11 83 Cu 0.12500000000000 0.75000000000000 0.55414653749769 63.546 > 12 84 Cu 0.62500000000000 0.75000000000000 0.55414653749769 63.546 > 12 85 Cu 0.00000000000000 0.00000000000000 0.80414653749769 63.546 > 13 86 Cu 0.50000000000000 0.00000000000000 0.80414653749769 63.546 > 13 87 Cu 0.25000000000000 0.00000000000000 0.69585346250231 63.546 > 14 88 Cu 0.75000000000000 0.00000000000000 0.69585346250231 63.546 > 14 89 Cu 0.12500000000000 0.25000000000000 0.44585346250231 63.546 > 11 90 Cu 0.62500000000000 0.25000000000000 0.44585346250231 63.546 > 11 91 Cu 0.12500000000000 0.25000000000000 0.05414653749769 63.546 > 12 92 Cu 0.62500000000000 0.25000000000000 0.05414653749769 63.546 > 12 93 Cu 0.00000000000000 0.50000000000000 0.30414653749769 63.546 > 13 94 Cu 0.50000000000000 0.50000000000000 0.30414653749769 63.546 > 13 95 Cu 0.25000000000000 0.50000000000000 0.19585346250231 63.546 > 14 96 Cu 0.75000000000000 0.50000000000000 0.19585346250231 63.546 > 14 97 Cu 0.37500000000000 0.75000000000000 0.44585346250231 63.546 > 11 98 Cu 0.87500000000000 0.75000000000000 0.44585346250231 63.546 > 11 99 Cu 0.37500000000000 0.75000000000000 0.05414653749769 63.546 > 12 100 Cu 0.87500000000000 0.75000000000000 0.05414653749769 63.546 > 12 101 Cu 0.25000000000000 0.00000000000000 0.30414653749769 63.546 > 13 102 Cu 0.75000000000000 0.00000000000000 0.30414653749769 63.546 > 13 103 Cu 0.00000000000000 0.00000000000000 0.19585346250231 63.546 > 14 104 Cu 0.50000000000000 0.00000000000000 0.19585346250231 63.546 > 14 105 Cu 0.37500000000000 0.25000000000000 0.94585346250231 63.546 > 11 106 Cu 0.87500000000000 0.25000000000000 0.94585346250231 63.546 > 11 107 Cu 0.37500000000000 0.25000000000000 0.55414653749769 63.546 > 12 108 Cu 0.87500000000000 0.25000000000000 0.55414653749769 63.546 > 12 109 Cu 0.25000000000000 0.50000000000000 0.80414653749769 63.546 > 13 110 Cu 0.75000000000000 0.50000000000000 0.80414653749769 63.546 > 13 111 Cu 0.00000000000000 0.50000000000000 0.69585346250231 63.546 > 14 112 Cu 0.50000000000000 0.50000000000000 0.69585346250231 63.546 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4067191 0.0000000 0.0000000 0.0000000 3.9967782 0.0000000 0.0000000 0.0000000 3.7088811 -------------------------- Born effective charges -------------------------- 1 O -1.4126366 -0.3597442 0.6581244 -0.5489316 -1.7690216 0.4719543 0.5694710 0.1748718 -1.3335232 2 O -1.4126366 0.3597442 -0.6581244 0.5489316 -1.7690216 0.4719543 -0.5694710 0.1748718 -1.3335232 3 O -1.4126366 0.3597442 0.6581244 0.5489316 -1.7690216 -0.4719543 0.5694710 -0.1748718 -1.3335232 4 O -1.4126366 -0.3597442 -0.6581244 -0.5489316 -1.7690216 -0.4719543 -0.5694710 -0.1748718 -1.3335232 5 O -1.4126366 -0.3597442 0.6581244 -0.5489316 -1.7690216 0.4719543 0.5694710 0.1748718 -1.3335232 6 O -1.4126366 0.3597442 -0.6581244 0.5489316 -1.7690216 0.4719543 -0.5694710 0.1748718 -1.3335232 7 O -1.4126366 -0.3597442 -0.6581244 -0.5489316 -1.7690216 -0.4719543 -0.5694710 -0.1748718 -1.3335232 8 O -1.4126366 0.3597442 0.6581244 0.5489316 -1.7690216 -0.4719543 0.5694710 -0.1748718 -1.3335232 9 S 3.6612698 0.0000000 0.0000000 0.0000000 4.3675199 0.0000000 0.0000000 0.0000000 3.1983699 10 S 3.6612698 0.0000000 0.0000000 0.0000000 4.3675199 0.0000000 0.0000000 0.0000000 3.1983699 11 Cu 0.9946382 -0.0191111 0.0000000 0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 12 Cu 0.9946382 0.0191111 0.0000000 -0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 13 Cu 0.9946382 -0.0191111 0.0000000 0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 14 Cu 0.9946382 0.0191111 0.0000000 -0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 ---------------------------------------------------------------------------- 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: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.045 Solver_block: 200 / 240 - Time: 1.010 Solver_block: 240 / 240 - Time: 0.462 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.538 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), 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 07:15:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:15:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.417253844999999 7.308636925000000 b 2.170091250000000 0.000000000000000 7.308636925000000 c 2.170091250000000 5.417253844999999 0.000000000000000 Atomic positions (fractional): 1 O 0.92649345840683 0.69438308759709 0.41638512021272 15.999 2 O 0.96273833378336 0.41638512021272 0.69438308759709 15.999 3 O 0.41638512021272 0.96273833378336 0.92649345840683 15.999 4 O 0.69438308759709 0.92649345840683 0.96273833378336 15.999 5 O 0.32350654159317 0.55561691240291 0.83361487978728 15.999 6 O 0.28726166621664 0.83361487978728 0.55561691240291 15.999 7 O 0.55561691240290 0.32350654159317 0.28726166621664 15.999 8 O 0.83361487978728 0.28726166621664 0.32350654159317 15.999 9 S 0.75000000000000 0.75000000000000 0.75000000000000 32.065 10 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 11 Cu 0.44585346250231 0.44585346250231 0.05414653749769 63.546 12 Cu 0.05414653749769 0.05414653749769 0.44585346250231 63.546 13 Cu 0.80414653749769 0.80414653749769 0.19585346250231 63.546 14 Cu 0.19585346250231 0.19585346250231 0.80414653749769 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.680365000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.834507689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.617273850000000 Atomic positions (fractional): 1 O 0.27769205195245 0.67143928930977 0.81043827300196 15.999 > 1 2 O 0.77769205195245 0.67143928930977 0.81043827300196 15.999 > 1 3 O 0.27769205195245 0.82856071069023 0.68956172699804 15.999 > 3 4 O 0.77769205195245 0.82856071069023 0.68956172699804 15.999 > 3 5 O 0.47230794804755 0.67143928930977 0.68956172699804 15.999 > 5 6 O 0.97230794804755 0.67143928930977 0.68956172699804 15.999 > 5 7 O 0.47230794804755 0.82856071069023 0.81043827300196 15.999 > 7 8 O 0.97230794804755 0.82856071069023 0.81043827300196 15.999 > 7 9 O 0.09730794804755 0.57856071069023 0.93956172699804 15.999 > 9 10 O 0.59730794804755 0.57856071069023 0.93956172699804 15.999 > 9 11 O 0.09730794804755 0.92143928930977 0.56043827300196 15.999 > 11 12 O 0.59730794804755 0.92143928930977 0.56043827300196 15.999 > 11 13 O 0.15269205195245 0.92143928930977 0.93956172699804 15.999 > 13 14 O 0.65269205195245 0.92143928930977 0.93956172699804 15.999 > 13 15 O 0.15269205195245 0.57856071069023 0.56043827300196 15.999 > 15 16 O 0.65269205195245 0.57856071069023 0.56043827300196 15.999 > 15 17 O 0.27769205195245 0.17143928930977 0.31043827300196 15.999 > 1 18 O 0.77769205195245 0.17143928930977 0.31043827300196 15.999 > 1 19 O 0.27769205195245 0.32856071069023 0.18956172699804 15.999 > 3 20 O 0.77769205195245 0.32856071069023 0.18956172699804 15.999 > 3 21 O 0.47230794804755 0.17143928930977 0.18956172699804 15.999 > 5 22 O 0.97230794804755 0.17143928930977 0.18956172699804 15.999 > 5 23 O 0.47230794804755 0.32856071069023 0.31043827300196 15.999 > 7 24 O 0.97230794804755 0.32856071069023 0.31043827300196 15.999 > 7 25 O 0.09730794804755 0.07856071069023 0.43956172699804 15.999 > 9 26 O 0.59730794804755 0.07856071069023 0.43956172699804 15.999 > 9 27 O 0.09730794804755 0.42143928930977 0.06043827300196 15.999 > 11 28 O 0.59730794804755 0.42143928930977 0.06043827300196 15.999 > 11 29 O 0.15269205195245 0.42143928930977 0.43956172699804 15.999 > 13 30 O 0.65269205195245 0.42143928930977 0.43956172699804 15.999 > 13 31 O 0.15269205195245 0.07856071069023 0.06043827300196 15.999 > 15 32 O 0.65269205195245 0.07856071069023 0.06043827300196 15.999 > 15 33 O 0.02769205195245 0.67143928930977 0.31043827300196 15.999 > 1 34 O 0.52769205195245 0.67143928930977 0.31043827300196 15.999 > 1 35 O 0.02769205195245 0.82856071069023 0.18956172699804 15.999 > 3 36 O 0.52769205195245 0.82856071069023 0.18956172699804 15.999 > 3 37 O 0.22230794804755 0.67143928930977 0.18956172699804 15.999 > 5 38 O 0.72230794804755 0.67143928930977 0.18956172699804 15.999 > 5 39 O 0.22230794804755 0.82856071069023 0.31043827300196 15.999 > 7 40 O 0.72230794804755 0.82856071069023 0.31043827300196 15.999 > 7 41 O 0.34730794804755 0.57856071069023 0.43956172699804 15.999 > 9 42 O 0.84730794804755 0.57856071069023 0.43956172699804 15.999 > 9 43 O 0.34730794804755 0.92143928930977 0.06043827300196 15.999 > 11 44 O 0.84730794804755 0.92143928930977 0.06043827300196 15.999 > 11 45 O 0.40269205195245 0.92143928930977 0.43956172699804 15.999 > 13 46 O 0.90269205195245 0.92143928930977 0.43956172699804 15.999 > 13 47 O 0.40269205195245 0.57856071069023 0.06043827300196 15.999 > 15 48 O 0.90269205195245 0.57856071069023 0.06043827300196 15.999 > 15 49 O 0.02769205195245 0.17143928930977 0.81043827300196 15.999 > 1 50 O 0.52769205195245 0.17143928930977 0.81043827300196 15.999 > 1 51 O 0.02769205195245 0.32856071069023 0.68956172699804 15.999 > 3 52 O 0.52769205195245 0.32856071069023 0.68956172699804 15.999 > 3 53 O 0.22230794804755 0.17143928930977 0.68956172699804 15.999 > 5 54 O 0.72230794804755 0.17143928930977 0.68956172699804 15.999 > 5 55 O 0.22230794804755 0.32856071069023 0.81043827300196 15.999 > 7 56 O 0.72230794804755 0.32856071069023 0.81043827300196 15.999 > 7 57 O 0.34730794804755 0.07856071069023 0.93956172699804 15.999 > 9 58 O 0.84730794804755 0.07856071069023 0.93956172699804 15.999 > 9 59 O 0.34730794804755 0.42143928930977 0.56043827300196 15.999 > 11 60 O 0.84730794804755 0.42143928930977 0.56043827300196 15.999 > 11 61 O 0.40269205195245 0.42143928930977 0.93956172699804 15.999 > 13 62 O 0.90269205195245 0.42143928930977 0.93956172699804 15.999 > 13 63 O 0.40269205195245 0.07856071069023 0.56043827300196 15.999 > 15 64 O 0.90269205195245 0.07856071069023 0.56043827300196 15.999 > 15 65 S 0.37500000000000 0.75000000000000 0.75000000000000 32.065 > 65 66 S 0.87500000000000 0.75000000000000 0.75000000000000 32.065 > 65 67 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 67 68 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 67 69 S 0.37500000000000 0.25000000000000 0.25000000000000 32.065 > 65 70 S 0.87500000000000 0.25000000000000 0.25000000000000 32.065 > 65 71 S 0.25000000000000 0.50000000000000 0.50000000000000 32.065 > 67 72 S 0.75000000000000 0.50000000000000 0.50000000000000 32.065 > 67 73 S 0.12500000000000 0.75000000000000 0.25000000000000 32.065 > 65 74 S 0.62500000000000 0.75000000000000 0.25000000000000 32.065 > 65 75 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 67 76 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 67 77 S 0.12500000000000 0.25000000000000 0.75000000000000 32.065 > 65 78 S 0.62500000000000 0.25000000000000 0.75000000000000 32.065 > 65 79 S 0.00000000000000 0.50000000000000 0.00000000000000 32.065 > 67 80 S 0.50000000000000 0.50000000000000 0.00000000000000 32.065 > 67 81 Cu 0.12500000000000 0.75000000000000 0.94585346250231 63.546 > 81 82 Cu 0.62500000000000 0.75000000000000 0.94585346250231 63.546 > 81 83 Cu 0.12500000000000 0.75000000000000 0.55414653749769 63.546 > 83 84 Cu 0.62500000000000 0.75000000000000 0.55414653749769 63.546 > 83 85 Cu 0.00000000000000 0.00000000000000 0.80414653749769 63.546 > 85 86 Cu 0.50000000000000 0.00000000000000 0.80414653749769 63.546 > 85 87 Cu 0.25000000000000 0.00000000000000 0.69585346250231 63.546 > 87 88 Cu 0.75000000000000 0.00000000000000 0.69585346250231 63.546 > 87 89 Cu 0.12500000000000 0.25000000000000 0.44585346250231 63.546 > 81 90 Cu 0.62500000000000 0.25000000000000 0.44585346250231 63.546 > 81 91 Cu 0.12500000000000 0.25000000000000 0.05414653749769 63.546 > 83 92 Cu 0.62500000000000 0.25000000000000 0.05414653749769 63.546 > 83 93 Cu 0.00000000000000 0.50000000000000 0.30414653749769 63.546 > 85 94 Cu 0.50000000000000 0.50000000000000 0.30414653749769 63.546 > 85 95 Cu 0.25000000000000 0.50000000000000 0.19585346250231 63.546 > 87 96 Cu 0.75000000000000 0.50000000000000 0.19585346250231 63.546 > 87 97 Cu 0.37500000000000 0.75000000000000 0.44585346250231 63.546 > 81 98 Cu 0.87500000000000 0.75000000000000 0.44585346250231 63.546 > 81 99 Cu 0.37500000000000 0.75000000000000 0.05414653749769 63.546 > 83 100 Cu 0.87500000000000 0.75000000000000 0.05414653749769 63.546 > 83 101 Cu 0.25000000000000 0.00000000000000 0.30414653749769 63.546 > 85 102 Cu 0.75000000000000 0.00000000000000 0.30414653749769 63.546 > 85 103 Cu 0.00000000000000 0.00000000000000 0.19585346250231 63.546 > 87 104 Cu 0.50000000000000 0.00000000000000 0.19585346250231 63.546 > 87 105 Cu 0.37500000000000 0.25000000000000 0.94585346250231 63.546 > 81 106 Cu 0.87500000000000 0.25000000000000 0.94585346250231 63.546 > 81 107 Cu 0.37500000000000 0.25000000000000 0.55414653749769 63.546 > 83 108 Cu 0.87500000000000 0.25000000000000 0.55414653749769 63.546 > 83 109 Cu 0.25000000000000 0.50000000000000 0.80414653749769 63.546 > 85 110 Cu 0.75000000000000 0.50000000000000 0.80414653749769 63.546 > 85 111 Cu 0.00000000000000 0.50000000000000 0.69585346250231 63.546 > 87 112 Cu 0.50000000000000 0.50000000000000 0.69585346250231 63.546 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4067191 0.0000000 0.0000000 0.0000000 3.9967782 0.0000000 0.0000000 0.0000000 3.7088811 -------------------------- Born effective charges -------------------------- 1 O -1.4126366 -0.3597442 0.6581244 -0.5489316 -1.7690216 0.4719543 0.5694710 0.1748718 -1.3335232 2 O -1.4126366 0.3597442 -0.6581244 0.5489316 -1.7690216 0.4719543 -0.5694710 0.1748718 -1.3335232 3 O -1.4126366 0.3597442 0.6581244 0.5489316 -1.7690216 -0.4719543 0.5694710 -0.1748718 -1.3335232 4 O -1.4126366 -0.3597442 -0.6581244 -0.5489316 -1.7690216 -0.4719543 -0.5694710 -0.1748718 -1.3335232 5 O -1.4126366 -0.3597442 0.6581244 -0.5489316 -1.7690216 0.4719543 0.5694710 0.1748718 -1.3335232 6 O -1.4126366 0.3597442 -0.6581244 0.5489316 -1.7690216 0.4719543 -0.5694710 0.1748718 -1.3335232 7 O -1.4126366 -0.3597442 -0.6581244 -0.5489316 -1.7690216 -0.4719543 -0.5694710 -0.1748718 -1.3335232 8 O -1.4126366 0.3597442 0.6581244 0.5489316 -1.7690216 -0.4719543 0.5694710 -0.1748718 -1.3335232 9 S 3.6612698 0.0000000 0.0000000 0.0000000 4.3675199 0.0000000 0.0000000 0.0000000 3.1983699 10 S 3.6612698 0.0000000 0.0000000 0.0000000 4.3675199 0.0000000 0.0000000 0.0000000 3.1983699 11 Cu 0.9946382 -0.0191111 0.0000000 0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 12 Cu 0.9946382 0.0191111 0.0000000 -0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 13 Cu 0.9946382 -0.0191111 0.0000000 0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 14 Cu 0.9946382 0.0191111 0.0000000 -0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (xzy) 0.00000007 (xzy) 0.00000007 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:15:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:15:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.417253844999999 7.308636925000000 b 2.170091250000000 0.000000000000000 7.308636925000000 c 2.170091250000000 5.417253844999999 0.000000000000000 Atomic positions (fractional): 1 O 0.92649345840683 0.69438308759709 0.41638512021272 15.999 2 O 0.96273833378336 0.41638512021272 0.69438308759709 15.999 3 O 0.41638512021272 0.96273833378336 0.92649345840683 15.999 4 O 0.69438308759709 0.92649345840683 0.96273833378336 15.999 5 O 0.32350654159317 0.55561691240291 0.83361487978728 15.999 6 O 0.28726166621664 0.83361487978728 0.55561691240291 15.999 7 O 0.55561691240290 0.32350654159317 0.28726166621664 15.999 8 O 0.83361487978728 0.28726166621664 0.32350654159317 15.999 9 S 0.75000000000000 0.75000000000000 0.75000000000000 32.065 10 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 11 Cu 0.44585346250231 0.44585346250231 0.05414653749769 63.546 12 Cu 0.05414653749769 0.05414653749769 0.44585346250231 63.546 13 Cu 0.80414653749769 0.80414653749769 0.19585346250231 63.546 14 Cu 0.19585346250231 0.19585346250231 0.80414653749769 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.680365000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.834507689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.617273850000000 Atomic positions (fractional): 1 O 0.27769205195245 0.67143928930977 0.81043827300196 15.999 > 1 2 O 0.77769205195245 0.67143928930977 0.81043827300196 15.999 > 1 3 O 0.27769205195245 0.82856071069023 0.68956172699804 15.999 > 3 4 O 0.77769205195245 0.82856071069023 0.68956172699804 15.999 > 3 5 O 0.47230794804755 0.67143928930977 0.68956172699804 15.999 > 5 6 O 0.97230794804755 0.67143928930977 0.68956172699804 15.999 > 5 7 O 0.47230794804755 0.82856071069023 0.81043827300196 15.999 > 7 8 O 0.97230794804755 0.82856071069023 0.81043827300196 15.999 > 7 9 O 0.09730794804755 0.57856071069023 0.93956172699804 15.999 > 9 10 O 0.59730794804755 0.57856071069023 0.93956172699804 15.999 > 9 11 O 0.09730794804755 0.92143928930977 0.56043827300196 15.999 > 11 12 O 0.59730794804755 0.92143928930977 0.56043827300196 15.999 > 11 13 O 0.15269205195245 0.92143928930977 0.93956172699804 15.999 > 13 14 O 0.65269205195245 0.92143928930977 0.93956172699804 15.999 > 13 15 O 0.15269205195245 0.57856071069023 0.56043827300196 15.999 > 15 16 O 0.65269205195245 0.57856071069023 0.56043827300196 15.999 > 15 17 O 0.27769205195245 0.17143928930977 0.31043827300196 15.999 > 1 18 O 0.77769205195245 0.17143928930977 0.31043827300196 15.999 > 1 19 O 0.27769205195245 0.32856071069023 0.18956172699804 15.999 > 3 20 O 0.77769205195245 0.32856071069023 0.18956172699804 15.999 > 3 21 O 0.47230794804755 0.17143928930977 0.18956172699804 15.999 > 5 22 O 0.97230794804755 0.17143928930977 0.18956172699804 15.999 > 5 23 O 0.47230794804755 0.32856071069023 0.31043827300196 15.999 > 7 24 O 0.97230794804755 0.32856071069023 0.31043827300196 15.999 > 7 25 O 0.09730794804755 0.07856071069023 0.43956172699804 15.999 > 9 26 O 0.59730794804755 0.07856071069023 0.43956172699804 15.999 > 9 27 O 0.09730794804755 0.42143928930977 0.06043827300196 15.999 > 11 28 O 0.59730794804755 0.42143928930977 0.06043827300196 15.999 > 11 29 O 0.15269205195245 0.42143928930977 0.43956172699804 15.999 > 13 30 O 0.65269205195245 0.42143928930977 0.43956172699804 15.999 > 13 31 O 0.15269205195245 0.07856071069023 0.06043827300196 15.999 > 15 32 O 0.65269205195245 0.07856071069023 0.06043827300196 15.999 > 15 33 O 0.02769205195245 0.67143928930977 0.31043827300196 15.999 > 1 34 O 0.52769205195245 0.67143928930977 0.31043827300196 15.999 > 1 35 O 0.02769205195245 0.82856071069023 0.18956172699804 15.999 > 3 36 O 0.52769205195245 0.82856071069023 0.18956172699804 15.999 > 3 37 O 0.22230794804755 0.67143928930977 0.18956172699804 15.999 > 5 38 O 0.72230794804755 0.67143928930977 0.18956172699804 15.999 > 5 39 O 0.22230794804755 0.82856071069023 0.31043827300196 15.999 > 7 40 O 0.72230794804755 0.82856071069023 0.31043827300196 15.999 > 7 41 O 0.34730794804755 0.57856071069023 0.43956172699804 15.999 > 9 42 O 0.84730794804755 0.57856071069023 0.43956172699804 15.999 > 9 43 O 0.34730794804755 0.92143928930977 0.06043827300196 15.999 > 11 44 O 0.84730794804755 0.92143928930977 0.06043827300196 15.999 > 11 45 O 0.40269205195245 0.92143928930977 0.43956172699804 15.999 > 13 46 O 0.90269205195245 0.92143928930977 0.43956172699804 15.999 > 13 47 O 0.40269205195245 0.57856071069023 0.06043827300196 15.999 > 15 48 O 0.90269205195245 0.57856071069023 0.06043827300196 15.999 > 15 49 O 0.02769205195245 0.17143928930977 0.81043827300196 15.999 > 1 50 O 0.52769205195245 0.17143928930977 0.81043827300196 15.999 > 1 51 O 0.02769205195245 0.32856071069023 0.68956172699804 15.999 > 3 52 O 0.52769205195245 0.32856071069023 0.68956172699804 15.999 > 3 53 O 0.22230794804755 0.17143928930977 0.68956172699804 15.999 > 5 54 O 0.72230794804755 0.17143928930977 0.68956172699804 15.999 > 5 55 O 0.22230794804755 0.32856071069023 0.81043827300196 15.999 > 7 56 O 0.72230794804755 0.32856071069023 0.81043827300196 15.999 > 7 57 O 0.34730794804755 0.07856071069023 0.93956172699804 15.999 > 9 58 O 0.84730794804755 0.07856071069023 0.93956172699804 15.999 > 9 59 O 0.34730794804755 0.42143928930977 0.56043827300196 15.999 > 11 60 O 0.84730794804755 0.42143928930977 0.56043827300196 15.999 > 11 61 O 0.40269205195245 0.42143928930977 0.93956172699804 15.999 > 13 62 O 0.90269205195245 0.42143928930977 0.93956172699804 15.999 > 13 63 O 0.40269205195245 0.07856071069023 0.56043827300196 15.999 > 15 64 O 0.90269205195245 0.07856071069023 0.56043827300196 15.999 > 15 65 S 0.37500000000000 0.75000000000000 0.75000000000000 32.065 > 65 66 S 0.87500000000000 0.75000000000000 0.75000000000000 32.065 > 65 67 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 67 68 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 67 69 S 0.37500000000000 0.25000000000000 0.25000000000000 32.065 > 65 70 S 0.87500000000000 0.25000000000000 0.25000000000000 32.065 > 65 71 S 0.25000000000000 0.50000000000000 0.50000000000000 32.065 > 67 72 S 0.75000000000000 0.50000000000000 0.50000000000000 32.065 > 67 73 S 0.12500000000000 0.75000000000000 0.25000000000000 32.065 > 65 74 S 0.62500000000000 0.75000000000000 0.25000000000000 32.065 > 65 75 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 67 76 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 67 77 S 0.12500000000000 0.25000000000000 0.75000000000000 32.065 > 65 78 S 0.62500000000000 0.25000000000000 0.75000000000000 32.065 > 65 79 S 0.00000000000000 0.50000000000000 0.00000000000000 32.065 > 67 80 S 0.50000000000000 0.50000000000000 0.00000000000000 32.065 > 67 81 Cu 0.12500000000000 0.75000000000000 0.94585346250231 63.546 > 81 82 Cu 0.62500000000000 0.75000000000000 0.94585346250231 63.546 > 81 83 Cu 0.12500000000000 0.75000000000000 0.55414653749769 63.546 > 83 84 Cu 0.62500000000000 0.75000000000000 0.55414653749769 63.546 > 83 85 Cu 0.00000000000000 0.00000000000000 0.80414653749769 63.546 > 85 86 Cu 0.50000000000000 0.00000000000000 0.80414653749769 63.546 > 85 87 Cu 0.25000000000000 0.00000000000000 0.69585346250231 63.546 > 87 88 Cu 0.75000000000000 0.00000000000000 0.69585346250231 63.546 > 87 89 Cu 0.12500000000000 0.25000000000000 0.44585346250231 63.546 > 81 90 Cu 0.62500000000000 0.25000000000000 0.44585346250231 63.546 > 81 91 Cu 0.12500000000000 0.25000000000000 0.05414653749769 63.546 > 83 92 Cu 0.62500000000000 0.25000000000000 0.05414653749769 63.546 > 83 93 Cu 0.00000000000000 0.50000000000000 0.30414653749769 63.546 > 85 94 Cu 0.50000000000000 0.50000000000000 0.30414653749769 63.546 > 85 95 Cu 0.25000000000000 0.50000000000000 0.19585346250231 63.546 > 87 96 Cu 0.75000000000000 0.50000000000000 0.19585346250231 63.546 > 87 97 Cu 0.37500000000000 0.75000000000000 0.44585346250231 63.546 > 81 98 Cu 0.87500000000000 0.75000000000000 0.44585346250231 63.546 > 81 99 Cu 0.37500000000000 0.75000000000000 0.05414653749769 63.546 > 83 100 Cu 0.87500000000000 0.75000000000000 0.05414653749769 63.546 > 83 101 Cu 0.25000000000000 0.00000000000000 0.30414653749769 63.546 > 85 102 Cu 0.75000000000000 0.00000000000000 0.30414653749769 63.546 > 85 103 Cu 0.00000000000000 0.00000000000000 0.19585346250231 63.546 > 87 104 Cu 0.50000000000000 0.00000000000000 0.19585346250231 63.546 > 87 105 Cu 0.37500000000000 0.25000000000000 0.94585346250231 63.546 > 81 106 Cu 0.87500000000000 0.25000000000000 0.94585346250231 63.546 > 81 107 Cu 0.37500000000000 0.25000000000000 0.55414653749769 63.546 > 83 108 Cu 0.87500000000000 0.25000000000000 0.55414653749769 63.546 > 83 109 Cu 0.25000000000000 0.50000000000000 0.80414653749769 63.546 > 85 110 Cu 0.75000000000000 0.50000000000000 0.80414653749769 63.546 > 85 111 Cu 0.00000000000000 0.50000000000000 0.69585346250231 63.546 > 87 112 Cu 0.50000000000000 0.50000000000000 0.69585346250231 63.546 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4067191 0.0000000 0.0000000 0.0000000 3.9967782 0.0000000 0.0000000 0.0000000 3.7088811 -------------------------- Born effective charges -------------------------- 1 O -1.4126366 -0.3597442 0.6581244 -0.5489316 -1.7690216 0.4719543 0.5694710 0.1748718 -1.3335232 2 O -1.4126366 0.3597442 -0.6581244 0.5489316 -1.7690216 0.4719543 -0.5694710 0.1748718 -1.3335232 3 O -1.4126366 0.3597442 0.6581244 0.5489316 -1.7690216 -0.4719543 0.5694710 -0.1748718 -1.3335232 4 O -1.4126366 -0.3597442 -0.6581244 -0.5489316 -1.7690216 -0.4719543 -0.5694710 -0.1748718 -1.3335232 5 O -1.4126366 -0.3597442 0.6581244 -0.5489316 -1.7690216 0.4719543 0.5694710 0.1748718 -1.3335232 6 O -1.4126366 0.3597442 -0.6581244 0.5489316 -1.7690216 0.4719543 -0.5694710 0.1748718 -1.3335232 7 O -1.4126366 -0.3597442 -0.6581244 -0.5489316 -1.7690216 -0.4719543 -0.5694710 -0.1748718 -1.3335232 8 O -1.4126366 0.3597442 0.6581244 0.5489316 -1.7690216 -0.4719543 0.5694710 -0.1748718 -1.3335232 9 S 3.6612698 0.0000000 0.0000000 0.0000000 4.3675199 0.0000000 0.0000000 0.0000000 3.1983699 10 S 3.6612698 0.0000000 0.0000000 0.0000000 4.3675199 0.0000000 0.0000000 0.0000000 3.1983699 11 Cu 0.9946382 -0.0191111 0.0000000 0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 12 Cu 0.9946382 0.0191111 0.0000000 -0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 13 Cu 0.9946382 -0.0191111 0.0000000 0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 14 Cu 0.9946382 0.0191111 0.0000000 -0.0377254 1.3542834 0.0000000 0.0000000 0.0000000 1.0678614 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (xzy) 0.00000007 (xzy) 0.00000007 (xyz) 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 ... [ 13 13 13 ] 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: 0.75, Number of G-points: 305, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/343) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 -0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 -0.000) 0.000 2.820 ( 0.000 0.000 -0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 -0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 10.364 ( 0.000 0.000 -0.000) 0.000 10.556 ( 0.000 0.000 -0.000) 0.000 10.820 ( 0.000 0.000 -0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 13.483 ( 0.000 0.000 0.000) 0.000 13.767 ( 0.000 0.000 0.000) 0.000 15.649 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 17.271 ( 0.000 0.000 0.000) 0.000 17.571 ( 0.000 0.000 0.000) 0.000 17.663 ( 0.000 0.000 0.000) 0.000 17.731 ( 0.000 0.000 0.000) 0.000 18.582 ( 0.000 0.000 0.000) 0.000 18.873 ( 0.000 0.000 0.000) 0.000 27.872 ( 0.000 0.000 0.000) 0.000 28.373 ( 0.000 0.000 0.000) 0.000 29.990 ( 0.000 0.000 0.000) 0.000 30.227 ( 0.000 0.000 -0.000) 0.000 30.469 ( 0.000 0.000 -0.000) 0.000 31.111 ( 0.000 0.000 0.000) 0.000 31.726 ( 0.000 0.000 -0.000) 0.000 32.062 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/343) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -19.790 6.342 -3.609) 21.092 0.440 ( -16.865 13.334 6.189) 22.373 0.881 ( -18.986 60.922 8.499) 64.375 1.564 ( -4.004 1.014 -0.475) 4.158 1.766 ( -0.466 1.474 0.529) 1.634 2.163 ( 0.018 20.981 -1.068) 21.008 2.790 ( 0.158 0.323 0.113) 0.377 2.799 ( -5.574 -6.954 -7.639) 11.738 2.894 ( -7.998 2.629 0.595) 8.440 2.950 ( 3.948 -1.337 1.383) 4.392 3.321 ( -0.088 -2.260 0.071) 2.262 3.410 ( 0.258 -3.505 13.806) 14.246 3.538 ( 0.577 -6.865 0.451) 6.904 3.632 ( 1.887 2.797 0.098) 3.375 3.755 ( 3.678 7.074 -0.832) 8.016 4.729 ( 1.065 -0.613 -0.436) 1.304 4.859 ( -18.188 -30.204 -1.391) 35.285 5.366 ( 2.174 -0.897 -1.344) 2.709 6.757 ( -0.905 4.562 2.079) 5.095 6.778 ( 4.410 6.360 0.600) 7.762 10.358 ( 1.844 -3.996 -0.398) 4.419 10.513 ( 3.453 -2.541 -0.256) 4.294 10.813 ( 0.952 -0.430 0.007) 1.045 10.819 ( 1.914 -0.177 -0.256) 1.939 13.434 ( 5.730 -6.739 -0.134) 8.847 13.688 ( 4.214 -11.172 -0.351) 11.945 15.679 ( -0.286 7.151 0.224) 7.160 16.047 ( 0.883 4.270 -0.684) 4.413 17.317 ( 0.440 5.108 -0.056) 5.127 17.549 ( 2.247 -0.010 -0.437) 2.289 17.730 ( -2.224 -5.292 -0.025) 5.740 17.925 ( -5.565 -4.396 -8.029) 10.712 18.663 ( 1.212 4.292 13.014) 13.757 18.879 ( 1.020 3.968 0.426) 4.119 27.888 ( -1.195 0.837 0.542) 1.556 28.350 ( 2.208 -0.238 -0.776) 2.352 30.202 ( -3.089 -5.074 -5.253) 7.930 30.502 ( -1.664 5.726 -2.004) 6.291 30.771 ( -20.694 -55.772 8.085) 60.034 31.699 ( 2.332 -1.069 -0.221) 2.575 32.045 ( 3.144 5.271 -1.737) 6.379 32.213 ( 30.012 85.052 -6.588) 90.432 ======================= Grid point 2 (3/343) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -16.955 6.940 -3.165) 18.591 0.840 ( -14.562 11.619 5.108) 19.317 1.473 ( -4.582 20.600 5.296) 21.758 1.659 ( -6.089 1.200 -1.711) 6.437 1.890 ( -4.095 29.970 1.056) 30.267 2.269 ( 2.700 16.235 -1.990) 16.578 2.789 ( -0.503 -1.455 -1.433) 2.104 2.803 ( -0.973 -3.736 -3.506) 5.215 2.893 ( -1.377 -3.621 3.178) 5.010 3.171 ( -13.405 15.671 0.116) 20.623 3.292 ( -0.914 -3.184 -4.198) 5.348 3.432 ( 1.473 -5.257 2.729) 6.104 3.516 ( -4.864 -6.062 6.162) 9.918 3.609 ( 3.260 3.724 0.491) 4.973 3.734 ( 4.574 9.936 -0.383) 10.945 4.666 ( 4.376 -2.382 -2.880) 5.755 5.005 ( -14.837 -12.526 1.998) 19.520 5.304 ( 2.907 -1.494 -0.367) 3.289 6.747 ( 5.482 13.672 0.211) 14.731 6.870 ( -4.098 11.583 0.526) 12.297 10.260 ( 4.650 -7.533 0.141) 8.853 10.408 ( 5.051 -4.592 -0.401) 6.838 10.762 ( 3.816 -1.071 -0.547) 4.001 10.767 ( 3.527 -2.031 -0.097) 4.071 13.233 ( 6.302 -18.128 0.463) 19.198 13.468 ( 7.493 -19.618 -0.665) 21.011 15.752 ( -0.140 10.775 0.499) 10.787 16.061 ( 1.608 7.009 -1.060) 7.268 17.347 ( -2.056 -1.734 0.555) 2.746 17.495 ( 2.995 -0.755 -0.130) 3.091 17.742 ( -3.895 -6.449 0.108) 7.535 17.961 ( -4.359 -2.277 -3.136) 5.833 18.759 ( -1.282 7.404 5.968) 9.596 18.897 ( 1.612 6.729 0.740) 6.959 27.931 ( -2.282 1.454 0.889) 2.849 28.289 ( 3.755 -0.183 -1.175) 3.939 30.201 ( -3.836 -6.446 -2.567) 7.928 30.572 ( -1.887 8.091 -3.219) 8.909 30.795 ( -10.760 -26.375 5.939) 29.098 31.639 ( 2.007 -3.131 -1.158) 3.895 32.011 ( 5.142 6.534 0.207) 8.318 32.248 ( 13.166 39.425 -3.212) 41.689 ======================= Grid point 3 (4/343) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -11.440 6.012 -2.738) 13.211 1.170 ( -11.647 9.534 3.432) 15.438 1.517 ( 2.753 -1.073 1.308) 3.232 1.761 ( -5.180 -0.535 -1.955) 5.562 2.137 ( 3.881 23.606 -0.716) 23.934 2.304 ( 1.932 9.956 -1.055) 10.197 2.726 ( 1.704 -2.665 -3.415) 4.655 2.791 ( -0.171 -2.708 0.868) 2.849 2.998 ( -6.071 1.553 1.828) 6.527 3.276 ( 3.277 -4.291 0.079) 5.399 3.282 ( -0.955 -3.145 -4.351) 5.453 3.535 ( -3.515 9.890 0.081) 10.497 3.593 ( 1.544 5.902 -0.521) 6.123 3.656 ( -8.174 4.058 5.113) 10.461 3.803 ( -6.483 16.206 -0.087) 17.454 4.516 ( 7.309 -1.465 -5.418) 9.215 5.198 ( -10.651 -7.211 2.232) 13.055 5.259 ( -0.330 -1.567 3.655) 3.990 6.816 ( 0.843 23.073 1.108) 23.115 7.086 ( -7.868 20.259 -0.667) 21.744 10.081 ( 7.514 -13.894 0.712) 15.811 10.267 ( 5.659 -8.122 -0.632) 9.919 10.649 ( 6.778 -4.393 -0.334) 8.084 10.667 ( 5.460 -1.835 -0.684) 5.801 12.984 ( 6.020 -20.171 0.387) 21.054 13.161 ( 8.811 -23.189 -0.717) 24.817 15.833 ( 0.194 10.870 0.730) 10.896 16.075 ( 2.151 7.502 -1.005) 7.868 17.362 ( -2.207 -5.689 0.570) 6.128 17.442 ( 2.432 -0.488 0.430) 2.517 17.775 ( -4.260 -5.523 0.588) 7.000 18.011 ( -3.896 -0.545 -2.208) 4.511 18.862 ( -1.436 7.277 3.299) 8.118 18.924 ( 1.613 7.611 0.859) 7.827 27.994 ( -2.944 1.522 0.701) 3.387 28.211 ( 4.205 0.392 -0.770) 4.293 30.222 ( -5.305 -6.400 -2.827) 8.781 30.643 ( -1.536 8.168 -3.274) 8.933 30.841 ( -7.252 -15.254 6.603) 18.135 31.583 ( 0.207 -4.550 -1.551) 4.811 31.949 ( 7.791 7.059 0.920) 10.554 32.270 ( 7.704 23.136 -2.546) 24.517 ======================= Grid point 4 (5/343) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -5.443 3.805 -2.538) 7.110 1.370 ( -0.102 4.639 -0.509) 4.668 1.514 ( -5.530 2.967 2.169) 6.640 1.790 ( -1.023 -3.963 -2.067) 4.585 2.112 ( 8.115 7.638 -2.066) 11.334 2.325 ( 1.616 4.015 0.560) 4.364 2.702 ( -2.296 0.106 -3.904) 4.530 2.770 ( -0.075 -4.426 0.929) 4.523 3.065 ( -0.610 -0.471 -0.596) 0.974 3.148 ( 5.259 -3.972 0.517) 6.611 3.254 ( 0.831 -2.821 -3.381) 4.481 3.539 ( 2.893 -1.109 -0.698) 3.176 3.608 ( 2.342 8.053 -2.892) 8.872 3.882 ( -6.022 1.758 3.882) 7.378 4.083 ( -8.938 18.280 -5.084) 20.974 4.454 ( -1.969 13.445 -0.511) 13.598 5.208 ( 0.644 -4.081 4.061) 5.794 5.397 ( -8.454 -4.481 4.309) 10.493 7.080 ( -7.400 32.947 2.018) 33.829 7.435 ( -12.010 29.893 -1.529) 32.252 9.792 ( 10.975 -23.353 1.259) 25.834 10.063 ( 7.869 -16.933 -1.240) 18.713 10.477 ( 8.229 -3.611 0.017) 8.987 10.548 ( 5.703 -1.904 -0.954) 6.088 12.758 ( 4.536 -16.267 -0.049) 16.888 12.848 ( 7.735 -20.897 -0.430) 22.287 15.903 ( 0.272 8.859 0.862) 8.905 16.078 ( 2.411 6.107 -0.757) 6.609 17.355 ( -1.844 -6.693 0.374) 6.953 17.407 ( 1.832 0.169 0.645) 1.950 17.816 ( -3.549 -3.869 1.124) 5.370 18.061 ( -2.979 0.223 -2.180) 3.698 18.943 ( -0.807 5.792 1.638) 6.073 18.955 ( 1.043 6.585 0.870) 6.724 28.048 ( -1.628 0.233 -1.121) 1.990 28.155 ( 2.360 1.964 1.381) 3.367 30.265 ( -6.142 -5.669 -3.670) 9.128 30.714 ( -1.744 7.931 -2.053) 8.377 30.896 ( -4.549 -9.384 7.255) 12.704 31.553 ( -1.383 -5.082 -1.100) 5.380 31.844 ( 9.462 6.336 -0.391) 11.394 32.278 ( 4.929 13.996 -1.850) 14.954 ======================= Grid point 5 (6/343) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -1.210 2.060 -2.236) 3.273 1.356 ( 1.363 4.737 -0.595) 4.965 1.632 ( -1.126 -1.391 -2.324) 2.934 1.769 ( -2.015 -2.749 0.494) 3.445 2.005 ( 5.843 5.403 0.154) 7.960 2.304 ( 2.061 -2.156 0.391) 3.008 2.714 ( 0.003 -1.307 -2.213) 2.570 2.767 ( -2.309 -1.736 -2.067) 3.552 3.006 ( 1.348 -3.936 -3.234) 5.270 3.083 ( 3.212 1.217 1.268) 3.661 3.208 ( 0.773 -1.292 -0.310) 1.537 3.443 ( 4.476 -3.637 -2.561) 6.310 3.581 ( 4.147 5.682 -2.495) 7.464 3.902 ( -1.700 -5.998 -0.367) 6.245 4.336 ( -6.757 15.164 -2.548) 16.796 4.701 ( -7.714 18.534 2.351) 20.212 5.193 ( 0.019 -4.581 3.436) 5.726 5.491 ( -3.590 -5.039 3.860) 7.293 7.555 ( -14.669 40.389 2.390) 43.037 7.907 ( -14.953 36.353 -1.887) 39.354 9.368 ( 14.806 -33.423 1.040) 36.571 9.711 ( 12.682 -28.157 -1.433) 30.915 10.341 ( 5.350 -0.486 0.415) 5.388 10.441 ( 4.204 -1.178 -0.898) 4.457 12.600 ( 2.435 -11.264 -0.313) 11.529 12.607 ( 5.094 -12.421 -0.098) 13.425 15.958 ( -0.067 5.815 0.869) 5.880 16.068 ( 2.207 3.685 -0.602) 4.338 17.343 ( -1.641 -5.558 0.424) 5.811 17.383 ( 1.560 0.951 0.281) 1.848 17.853 ( -2.190 -2.095 1.219) 3.267 18.093 ( -1.739 0.154 -1.950) 2.617 18.984 ( 0.536 4.700 0.504) 4.758 18.994 ( -0.398 3.342 0.818) 3.464 28.034 ( 1.166 -0.361 -1.665) 2.065 28.176 ( -0.873 2.152 2.058) 3.103 30.314 ( -5.244 -4.115 -3.511) 7.533 30.796 ( -2.201 7.552 -1.570) 8.022 30.939 ( -2.143 -6.403 7.519) 10.105 31.545 ( -2.305 -5.590 -0.096) 6.047 31.711 ( 9.064 5.587 -2.290) 10.891 32.277 ( 2.941 7.643 -1.111) 8.265 ======================= Grid point 6 (7/343) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -0.523 1.480 -1.205) 1.979 1.385 ( 0.334 3.686 1.306) 3.924 1.576 ( -0.210 -4.020 -3.964) 5.650 1.728 ( 3.734 -2.089 0.876) 4.367 2.070 ( -4.467 8.474 2.095) 9.806 2.218 ( 4.089 -6.493 -0.776) 7.713 2.690 ( 0.600 -0.532 -0.603) 1.003 2.758 ( -0.090 -1.718 -2.028) 2.659 2.994 ( -3.002 -0.729 -3.047) 4.339 3.037 ( 3.621 0.733 2.254) 4.328 3.202 ( 0.048 0.292 0.387) 0.487 3.342 ( 2.280 -1.903 -1.415) 3.290 3.541 ( 1.844 1.680 -0.613) 2.569 3.900 ( -1.105 -2.061 -0.199) 2.347 4.480 ( -2.308 5.153 -1.134) 5.759 4.926 ( -3.500 9.870 1.681) 10.606 5.173 ( -0.135 -3.855 0.493) 3.889 5.509 ( -0.466 -2.715 1.877) 3.334 8.158 ( -17.540 41.922 1.800) 45.479 8.406 ( -12.214 28.506 -1.151) 31.033 8.820 ( 17.060 -38.743 -0.302) 42.334 9.259 ( 11.792 -26.393 -0.360) 28.910 10.281 ( 1.720 0.164 0.231) 1.743 10.381 ( 1.524 -0.372 -0.383) 1.615 12.480 ( 1.617 -4.894 0.003) 5.154 12.525 ( 0.839 -3.052 -0.161) 3.169 15.996 ( -0.436 2.234 0.574) 2.347 16.049 ( 1.251 0.996 -0.441) 1.659 17.339 ( -0.869 -2.506 0.286) 2.668 17.369 ( 0.823 0.875 -0.036) 1.201 17.874 ( -0.706 -0.623 0.550) 1.091 18.106 ( -0.556 0.007 -0.836) 1.003 19.003 ( 0.141 1.696 0.200) 1.714 19.017 ( -0.113 1.083 0.215) 1.110 28.009 ( 0.590 -0.085 -0.560) 0.818 28.209 ( -0.523 0.778 0.745) 1.197 30.348 ( -2.113 -1.539 -1.488) 3.008 30.866 ( -1.331 4.156 -1.687) 4.678 30.960 ( -0.469 -3.233 4.639) 5.674 31.553 ( -3.322 -6.698 1.346) 7.597 31.599 ( 6.230 6.396 -2.784) 9.352 32.273 ( 1.001 2.439 -0.375) 2.663 ======================= Grid point 14 (8/343) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( 0.000 0.000 17.962) 17.962 0.200 ( 0.000 0.000 18.830) 18.830 0.359 ( 0.000 0.000 33.738) 33.738 1.520 ( -0.000 -0.000 -0.766) 0.766 1.770 ( 0.000 0.000 1.852) 1.852 2.054 ( -0.000 -0.000 -3.092) 3.092 2.656 ( 0.000 0.000 0.010) 0.010 2.788 ( -0.000 -0.000 -0.269) 0.269 2.822 ( 0.000 0.000 0.477) 0.477 2.992 ( 0.000 0.000 0.017) 0.017 3.390 ( -0.000 -0.000 -0.772) 0.772 3.570 ( 0.000 0.000 0.332) 0.332 3.637 ( 0.000 0.000 0.064) 0.064 3.753 ( -0.000 -0.000 -2.243) 2.243 3.947 ( 0.000 0.000 4.764) 4.764 4.586 ( 0.000 0.000 1.228) 1.228 4.739 ( 0.000 0.000 0.015) 0.015 5.375 ( -0.000 -0.000 -3.558) 3.558 6.800 ( 0.000 0.000 0.068) 0.068 6.873 ( -0.000 -0.000 -0.397) 0.397 10.366 ( 0.000 0.000 0.372) 0.372 10.553 ( -0.000 -0.000 -0.701) 0.701 10.821 ( 0.000 0.000 0.137) 0.137 10.837 ( 0.000 0.000 0.031) 0.031 13.488 ( 0.000 0.000 0.830) 0.830 13.763 ( -0.000 -0.000 -0.739) 0.739 15.653 ( 0.000 0.000 0.810) 0.810 16.034 ( -0.000 -0.000 -1.445) 1.445 17.275 ( 0.000 0.000 0.763) 0.763 17.564 ( -0.000 -0.000 -1.291) 1.291 17.667 ( 0.000 0.000 0.700) 0.700 17.731 ( -0.000 -0.000 -0.086) 0.086 18.877 ( 0.000 0.000 0.856) 0.856 19.053 ( -0.000 -0.000 -0.241) 0.241 27.878 ( 0.000 0.000 1.142) 1.142 28.365 ( -0.000 -0.000 -1.638) 1.638 29.994 ( 0.000 0.000 0.631) 0.631 30.451 ( -0.000 -0.000 -3.232) 3.232 31.136 ( 0.000 0.000 4.506) 4.506 31.728 ( 0.000 0.000 0.269) 0.269 31.730 ( 0.000 0.000 0.293) 0.293 32.052 ( -0.000 -0.000 -1.955) 1.955 ======================= Grid point 15 (9/343) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -14.451 6.894 5.344) 16.880 0.528 ( -13.857 13.484 10.299) 21.907 1.027 ( -16.396 50.006 17.258) 55.383 1.555 ( -3.608 1.399 -1.283) 4.077 1.776 ( -0.118 0.720 1.234) 1.434 2.138 ( -0.288 20.880 -3.726) 21.212 2.724 ( -6.477 -4.875 -5.084) 9.569 2.792 ( -0.006 0.668 0.299) 0.732 2.899 ( -7.722 3.520 0.356) 8.494 2.961 ( 2.791 -1.187 0.625) 3.097 3.320 ( 3.833 -2.727 -0.185) 4.708 3.532 ( 1.985 -6.540 1.437) 6.984 3.605 ( 6.582 -4.606 12.053) 14.485 3.642 ( 3.716 2.810 5.777) 7.422 3.739 ( 3.201 7.345 -1.844) 8.221 4.720 ( 2.021 -0.720 -1.368) 2.545 4.842 ( -19.350 -21.059 -1.209) 28.624 5.338 ( 1.180 -0.837 -3.914) 4.173 6.772 ( 4.058 4.504 0.539) 6.087 6.800 ( 2.279 4.997 3.000) 6.258 10.353 ( 1.561 -3.369 -0.257) 3.722 10.507 ( 3.391 -2.408 -0.828) 4.241 10.813 ( 1.138 -0.408 0.017) 1.210 10.816 ( 2.070 -0.055 -0.292) 2.091 13.434 ( 4.505 -8.306 0.444) 9.459 13.680 ( 4.198 -11.188 -1.072) 11.997 15.685 ( -0.345 6.757 0.965) 6.834 16.033 ( 0.801 4.356 -1.974) 4.849 17.318 ( -0.734 3.714 0.445) 3.812 17.541 ( 1.740 -0.270 -1.158) 2.108 17.729 ( -2.256 -5.266 -0.065) 5.729 17.833 ( -10.185 -2.628 -7.260) 12.781 18.826 ( 9.084 1.514 14.001) 16.758 18.888 ( 1.056 3.969 1.209) 4.281 27.899 ( -1.119 0.843 1.598) 2.125 28.334 ( 2.093 -0.186 -2.250) 3.079 30.136 ( -7.253 -4.059 -5.722) 10.091 30.465 ( -1.915 4.998 -4.785) 7.180 30.895 ( -10.197 -47.037 13.374) 49.953 31.695 ( 2.412 -2.369 -0.648) 3.442 32.008 ( 5.976 24.008 -5.067) 25.254 32.127 ( 10.996 50.422 -7.349) 52.128 ======================= Grid point 16 (10/343) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -15.225 7.396 0.531) 16.935 0.904 ( -13.203 10.690 7.043) 18.390 1.542 ( -1.381 13.634 7.083) 15.426 1.633 ( -6.007 1.876 -3.226) 7.072 1.906 ( -3.761 32.026 1.943) 32.304 2.237 ( 2.342 16.906 -3.936) 17.515 2.742 ( -1.907 -5.132 -4.815) 7.291 2.803 ( -0.199 -0.008 0.926) 0.947 2.925 ( -1.783 -2.477 3.051) 4.315 3.170 ( -12.505 15.364 -0.329) 19.813 3.262 ( -0.137 -2.617 -1.568) 3.054 3.444 ( 2.258 -7.242 0.226) 7.590 3.582 ( -0.451 -1.009 3.349) 3.527 3.631 ( 2.586 2.208 5.343) 6.333 3.732 ( 3.131 8.473 0.354) 9.040 4.622 ( 6.070 -2.084 -5.596) 8.514 5.034 ( -15.082 -11.202 3.289) 19.072 5.298 ( 0.636 -1.636 -0.791) 1.925 6.751 ( 4.823 13.120 0.493) 13.987 6.876 ( -2.804 11.959 0.546) 12.295 10.263 ( 4.485 -7.247 0.430) 8.534 10.402 ( 4.967 -4.632 -0.829) 6.842 10.756 ( 3.993 -0.950 -0.635) 4.153 10.765 ( 3.649 -1.933 -0.264) 4.138 13.241 ( 6.242 -18.437 0.981) 19.489 13.457 ( 7.425 -19.539 -1.290) 20.942 15.760 ( -0.224 10.438 1.124) 10.501 16.045 ( 1.394 7.252 -2.003) 7.652 17.356 ( -2.124 -1.939 1.093) 3.077 17.493 ( 2.287 -1.283 -0.356) 2.647 17.744 ( -4.042 -6.273 0.234) 7.466 17.921 ( -5.877 -2.077 -3.987) 7.399 18.834 ( 1.655 6.549 7.468) 10.070 18.908 ( 1.688 6.652 1.418) 7.008 27.945 ( -2.046 1.446 1.706) 3.031 28.271 ( 3.394 -0.023 -2.236) 4.064 30.169 ( -4.628 -6.789 -3.140) 8.796 30.528 ( -2.357 8.277 -5.035) 9.970 30.877 ( -8.804 -25.486 9.226) 28.499 31.622 ( 1.700 -4.509 -2.021) 5.225 32.014 ( 5.036 9.485 0.309) 10.743 32.204 ( 10.201 35.530 -4.814) 37.277 ======================= Grid point 17 (11/343) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -10.654 6.255 -1.347) 12.428 1.212 ( -10.390 8.038 4.495) 13.884 1.527 ( 3.547 -1.045 0.183) 3.703 1.738 ( -5.025 -0.334 -2.238) 5.511 2.126 ( 4.881 21.000 -1.395) 21.605 2.290 ( 1.479 13.714 -1.467) 13.872 2.682 ( 0.708 -3.896 -4.664) 6.118 2.801 ( 0.114 -2.088 1.039) 2.335 3.022 ( -4.948 0.218 2.686) 5.634 3.236 ( -1.475 -2.946 -3.435) 4.759 3.285 ( 4.469 -5.419 0.833) 7.073 3.521 ( -4.004 12.076 -2.364) 12.940 3.590 ( 3.087 6.578 -0.240) 7.271 3.720 ( -7.799 4.477 6.765) 11.253 3.803 ( -4.628 13.921 0.052) 14.670 4.445 ( 6.958 0.441 -7.701) 10.388 5.227 ( -9.267 -7.753 3.145) 12.485 5.301 ( -3.605 -1.486 4.181) 5.717 6.831 ( 0.173 22.675 1.704) 22.740 7.077 ( -7.102 20.745 -1.095) 21.954 10.090 ( 7.345 -13.591 1.165) 15.492 10.258 ( 5.656 -8.456 -1.063) 10.229 10.645 ( 6.699 -4.009 -0.493) 7.823 10.659 ( 5.715 -1.861 -0.803) 6.064 12.989 ( 6.204 -20.621 0.636) 21.543 13.151 ( 8.653 -22.881 -1.097) 24.487 15.843 ( 0.140 10.549 1.214) 10.619 16.061 ( 1.898 7.853 -1.558) 8.228 17.370 ( -1.974 -5.846 0.823) 6.225 17.447 ( 1.830 -1.176 0.444) 2.220 17.783 ( -4.387 -5.053 0.966) 6.761 17.983 ( -4.334 -0.585 -2.920) 5.259 18.901 ( 0.084 6.997 3.732) 7.931 18.936 ( 1.686 7.327 1.462) 7.659 28.003 ( -2.319 1.254 1.013) 2.824 28.201 ( 3.421 0.904 -1.134) 3.716 30.189 ( -5.377 -7.247 -3.319) 9.614 30.606 ( -2.204 8.780 -3.675) 9.770 30.921 ( -6.899 -15.356 8.347) 18.791 31.562 ( -0.231 -4.854 -2.307) 5.379 31.959 ( 8.498 7.798 0.898) 11.568 32.238 ( 6.636 22.580 -3.313) 23.767 ======================= Grid point 18 (12/343) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -5.266 4.053 -2.356) 7.051 1.359 ( 1.549 3.517 -1.749) 4.223 1.541 ( -5.862 3.153 2.925) 7.271 1.766 ( -1.231 -3.380 -2.355) 4.299 2.087 ( 7.925 8.761 -2.499) 12.075 2.331 ( 1.705 5.117 0.541) 5.420 2.652 ( -2.595 -1.104 -5.493) 6.174 2.780 ( 0.141 -4.024 0.934) 4.133 3.052 ( 0.387 -4.700 -1.827) 5.058 3.155 ( 4.566 -2.343 0.890) 5.208 3.226 ( 0.052 -2.548 -1.692) 3.059 3.532 ( 4.372 0.531 -0.708) 4.461 3.581 ( 3.043 8.107 -2.213) 8.938 3.892 ( -3.230 -3.018 -2.228) 4.950 4.058 ( -8.674 21.050 0.829) 22.782 4.442 ( -4.915 16.583 -1.812) 17.391 5.257 ( -0.871 -6.324 4.862) 8.025 5.444 ( -7.507 -3.262 4.381) 9.283 7.105 ( -7.754 32.578 2.764) 33.601 7.416 ( -11.568 30.388 -2.166) 32.587 9.808 ( 11.037 -23.172 1.741) 25.725 10.047 ( 7.934 -17.426 -1.742) 19.226 10.478 ( 7.979 -3.328 0.070) 8.645 10.537 ( 5.807 -1.704 -1.125) 6.155 12.758 ( 4.529 -17.045 -0.038) 17.637 12.842 ( 7.651 -20.306 -0.540) 21.706 15.914 ( 0.248 8.570 1.193) 8.656 16.069 ( 2.266 6.435 -1.049) 6.902 17.359 ( -1.675 -6.462 0.490) 6.693 17.414 ( 1.605 -0.680 0.590) 1.840 17.831 ( -3.416 -3.329 1.686) 5.059 18.034 ( -3.252 0.074 -2.784) 4.282 18.958 ( 0.523 6.378 1.229) 6.516 18.968 ( 0.647 5.601 1.606) 5.863 28.036 ( -0.545 -0.399 -1.127) 1.314 28.170 ( 1.212 2.844 1.431) 3.406 30.225 ( -6.262 -6.355 -3.747) 9.677 30.692 ( -2.269 8.441 -2.071) 8.982 30.980 ( -4.434 -9.375 8.380) 13.333 31.537 ( -1.712 -4.238 -1.831) 4.923 31.838 ( 10.229 5.513 -0.747) 11.644 32.257 ( 4.329 14.050 -2.063) 14.846 ======================= Grid point 19 (13/343) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -1.412 2.365 -2.127) 3.480 1.341 ( 0.115 5.578 -2.213) 6.002 1.611 ( 1.566 -3.602 -1.553) 4.223 1.773 ( -2.652 -1.697 0.313) 3.164 2.007 ( 4.345 7.633 0.193) 8.785 2.308 ( 2.215 -2.912 0.363) 3.677 2.670 ( -1.970 0.120 -5.475) 5.820 2.762 ( -1.006 -4.247 0.593) 4.404 2.968 ( 0.711 -4.832 -3.731) 6.147 3.099 ( 3.475 1.676 1.666) 4.202 3.206 ( -0.064 -1.260 -0.245) 1.285 3.425 ( 5.632 -1.467 -0.739) 5.867 3.560 ( 3.621 5.902 -1.861) 7.170 3.871 ( -2.816 -5.630 -4.794) 7.913 4.331 ( -5.502 15.841 1.119) 16.807 4.714 ( -8.331 18.835 0.310) 20.598 5.241 ( 0.278 -7.359 5.475) 9.177 5.526 ( -2.566 -4.133 2.643) 5.537 7.583 ( -14.525 40.020 2.939) 42.676 7.884 ( -14.970 37.014 -2.406) 39.999 9.380 ( 15.467 -33.476 1.195) 36.895 9.694 ( 12.108 -28.316 -1.624) 30.839 10.346 ( 5.242 -0.721 0.489) 5.314 10.431 ( 4.134 -0.753 -0.977) 4.314 12.597 ( 2.029 -11.903 -0.312) 12.079 12.606 ( 5.263 -12.033 -0.126) 13.134 15.968 ( -0.020 5.588 1.086) 5.693 16.061 ( 2.168 3.891 -0.797) 4.525 17.348 ( -1.465 -5.105 0.559) 5.340 17.386 ( 1.576 0.369 0.106) 1.623 17.868 ( -1.675 -1.787 1.564) 2.906 18.071 ( -2.391 0.010 -2.242) 3.278 18.989 ( 0.660 4.541 0.568) 4.624 19.003 ( 0.059 3.285 0.772) 3.375 28.018 ( 0.547 -0.885 -1.385) 1.733 28.197 ( -0.147 2.826 1.798) 3.353 30.279 ( -6.005 -4.478 -3.142) 8.123 30.779 ( -1.957 7.659 -1.607) 8.067 31.023 ( -1.290 -5.730 8.289) 10.159 31.540 ( -2.436 -3.610 -1.095) 4.490 31.685 ( 8.857 3.226 -2.421) 9.732 32.265 ( 2.469 7.664 -1.122) 8.129 ======================= Grid point 20 (14/343) ======================= q-point: ( 0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.219 2.181 -1.168) 2.758 1.398 ( 0.123 4.224 1.141) 4.377 1.534 ( -1.862 -3.972 -3.865) 5.847 1.737 ( 4.024 -0.770 0.828) 4.180 2.091 ( -4.384 7.817 1.773) 9.136 2.209 ( 4.358 -7.962 -0.874) 9.119 2.668 ( -1.056 -0.198 -2.930) 3.121 2.759 ( -1.075 -2.099 1.775) 2.951 2.960 ( -3.245 -0.498 -3.309) 4.661 3.061 ( 3.336 1.464 2.230) 4.271 3.202 ( -0.182 -0.683 -0.478) 0.853 3.345 ( 2.588 0.749 1.807) 3.244 3.533 ( 1.428 2.572 -1.106) 3.143 3.871 ( -2.878 -2.717 -4.857) 6.266 4.482 ( -1.260 8.344 1.334) 8.544 4.929 ( -3.781 7.067 -0.916) 8.067 5.206 ( 1.379 -4.657 5.299) 7.189 5.515 ( 0.851 -3.114 -0.683) 3.300 8.178 ( -16.913 41.245 1.919) 44.619 8.393 ( -12.746 29.998 -1.277) 32.619 8.816 ( 18.049 -38.578 -0.386) 42.593 9.255 ( 10.783 -27.174 -0.289) 29.237 10.283 ( 1.787 -0.303 0.189) 1.822 10.377 ( 1.322 0.201 -0.323) 1.375 12.480 ( 1.935 -4.088 0.008) 4.523 12.523 ( 0.221 -4.153 -0.157) 4.162 16.003 ( 0.005 1.989 0.689) 2.105 16.044 ( 0.927 1.169 -0.564) 1.595 17.342 ( -0.106 -1.424 0.348) 1.470 17.368 ( 0.429 0.023 -0.129) 0.449 17.880 ( -0.050 -0.619 0.463) 0.775 18.098 ( -1.523 -0.011 -0.709) 1.680 19.005 ( 0.305 1.520 0.198) 1.563 19.019 ( 0.175 1.166 0.168) 1.191 28.003 ( -0.305 -0.793 -0.483) 0.978 28.217 ( 0.596 1.541 0.652) 1.776 30.334 ( -3.743 -1.832 -1.186) 4.333 30.844 ( -0.845 6.020 -2.215) 6.470 31.016 ( 2.787 -4.021 5.525) 7.380 31.554 ( 0.742 2.761 -2.245) 3.635 31.580 ( 0.171 -3.612 0.148) 3.619 32.269 ( 0.514 2.314 -0.345) 2.396 ======================= Grid point 21 (15/343) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -0.409 -0.583 0.969) 1.202 1.372 ( 0.039 -3.888 -1.100) 4.041 1.614 ( -2.575 4.600 3.159) 6.146 1.720 ( -2.433 3.359 -0.699) 4.206 2.049 ( 4.561 -9.226 -1.921) 10.469 2.225 ( -3.852 5.257 0.531) 6.538 2.686 ( -1.391 1.489 -0.781) 2.182 2.793 ( -1.197 0.112 3.829) 4.014 3.013 ( -3.810 0.194 -1.763) 4.203 3.024 ( 2.512 0.840 2.123) 3.395 3.195 ( -0.399 -0.946 -0.890) 1.359 3.373 ( -1.669 4.173 4.231) 6.173 3.548 ( -2.592 -0.380 0.720) 2.717 3.873 ( -0.973 0.872 -5.090) 5.255 4.506 ( 3.305 -0.749 3.521) 4.887 4.896 ( 3.052 -12.231 -3.636) 13.120 5.194 ( 2.548 1.453 4.075) 5.021 5.477 ( 1.268 2.701 -4.113) 5.081 8.141 ( 18.054 -42.418 -1.365) 46.120 8.416 ( 11.825 -27.393 0.850) 29.848 8.822 ( -16.188 39.070 0.169) 42.291 9.263 ( -12.722 25.637 0.339) 28.622 10.278 ( -1.668 -0.554 -0.211) 1.770 10.384 ( -1.706 0.863 0.345) 1.943 12.480 ( -1.347 5.593 0.001) 5.753 12.526 ( -1.392 2.073 0.130) 2.501 15.991 ( 0.758 -2.415 -0.409) 2.564 16.053 ( -1.465 -0.883 0.299) 1.736 17.337 ( 1.435 3.321 -0.195) 3.623 17.369 ( -1.019 -1.470 -0.026) 1.788 17.869 ( 1.204 0.614 -0.491) 1.438 18.115 ( -0.259 -0.014 0.749) 0.793 19.001 ( 0.010 -1.845 -0.159) 1.852 19.014 ( 0.395 -1.026 -0.205) 1.118 28.015 ( -1.561 -0.677 0.509) 1.776 28.202 ( 1.705 0.037 -0.667) 1.831 30.364 ( 0.361 1.167 1.470) 1.911 30.867 ( 0.630 2.571 -1.855) 3.232 30.931 ( 4.719 -2.395 -0.357) 5.304 31.538 ( 2.548 7.261 -1.442) 7.829 31.626 ( -7.130 -7.460 2.165) 10.544 32.277 ( -1.472 -2.563 0.317) 2.973 ======================= Grid point 22 (16/343) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 1.047 -1.886 1.884) 2.864 1.356 ( -2.191 -3.808 -0.415) 4.412 1.657 ( 3.991 -1.471 2.165) 4.773 1.763 ( 0.591 4.384 -0.622) 4.467 2.003 ( -7.026 -3.279 -0.087) 7.754 2.300 ( -1.928 1.528 -0.307) 2.479 2.722 ( -0.608 3.763 0.002) 3.812 2.796 ( 2.731 -1.964 2.679) 4.300 3.033 ( -1.951 2.897 1.743) 3.904 3.073 ( -2.788 -0.826 -0.651) 2.980 3.212 ( -2.281 1.139 0.331) 2.571 3.473 ( -2.837 4.421 2.680) 5.897 3.621 ( -4.291 -3.894 5.447) 7.952 3.874 ( -0.393 4.758 -5.585) 7.347 4.384 ( 8.086 -11.772 6.115) 15.536 4.664 ( 6.826 -18.705 -4.492) 20.412 5.170 ( 1.213 1.007 -0.925) 1.828 5.449 ( 4.042 6.227 -3.825) 8.352 7.534 ( 14.765 -40.623 -1.544) 43.251 7.923 ( 14.956 -35.886 1.188) 38.896 9.358 ( -14.348 33.397 -0.698) 36.355 9.723 ( -13.067 28.014 0.970) 30.927 10.337 ( -5.441 0.346 -0.275) 5.459 10.450 ( -4.270 1.485 0.632) 4.564 12.603 ( -2.827 10.363 0.252) 10.745 12.608 ( -4.900 13.112 0.039) 13.997 15.950 ( 0.116 -5.968 -0.557) 5.995 16.073 ( -2.252 -3.552 0.370) 4.222 17.340 ( 1.784 5.893 -0.259) 6.163 17.380 ( -1.503 -1.387 -0.290) 2.065 17.843 ( 2.475 2.300 -0.755) 3.462 18.111 ( 1.297 -0.229 1.331) 1.872 18.979 ( -0.435 -4.813 -0.339) 4.844 18.986 ( 0.806 -3.421 -0.636) 3.572 28.052 ( -2.146 -0.319 1.666) 2.735 28.155 ( 1.943 -1.344 -1.947) 3.061 30.350 ( 4.437 3.629 3.014) 6.476 30.811 ( 2.418 -7.404 1.150) 7.873 30.869 ( 2.992 7.089 -5.537) 9.479 31.544 ( 1.957 6.628 -0.202) 6.914 31.731 ( -8.948 -6.922 1.522) 11.414 32.287 ( -3.378 -7.648 0.819) 8.401 ======================= Grid point 23 (17/343) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 5.247 -3.528 1.614) 6.526 1.372 ( 1.277 -5.342 0.013) 5.492 1.496 ( 5.483 -2.830 -1.187) 6.284 1.808 ( 0.771 4.301 1.214) 4.535 2.129 ( -8.224 -6.832 1.194) 10.758 2.320 ( -1.526 -3.233 -0.381) 3.595 2.733 ( 2.091 -0.792 1.982) 2.988 2.762 ( 0.198 4.504 -0.656) 4.555 3.067 ( 1.119 -1.560 -0.073) 1.922 3.144 ( -5.358 4.414 -0.231) 6.946 3.288 ( -3.040 1.809 2.698) 4.449 3.545 ( -1.608 1.957 0.474) 2.577 3.644 ( 0.380 -5.882 3.905) 7.070 3.828 ( 5.690 -6.581 -5.547) 10.318 4.141 ( 11.783 -16.644 4.910) 20.975 4.453 ( -1.624 -9.956 -0.529) 10.101 5.175 ( -1.569 1.857 -2.243) 3.307 5.358 ( 9.131 5.592 -2.798) 11.066 7.063 ( 7.187 -33.162 -1.059) 33.948 7.447 ( 12.285 -29.591 0.786) 32.049 9.782 ( -10.951 23.473 -0.656) 25.910 10.073 ( -7.803 16.584 0.637) 18.339 10.477 ( -8.391 3.827 0.004) 9.223 10.556 ( -5.659 2.055 0.551) 6.046 12.758 ( -4.544 15.753 0.034) 16.395 12.851 ( -7.793 21.277 0.237) 22.660 15.896 ( -0.294 -9.028 -0.448) 9.044 16.084 ( -2.518 -5.912 0.394) 6.438 17.352 ( 1.987 6.873 -0.196) 7.157 17.401 ( -1.998 -0.789 -0.433) 2.192 17.808 ( 3.641 4.213 -0.553) 5.596 18.079 ( 2.755 -0.293 1.216) 3.026 18.928 ( 1.572 -5.784 -1.069) 6.088 18.949 ( -1.074 -6.904 -0.417) 7.000 28.058 ( 2.996 -0.925 0.782) 3.231 28.142 ( -3.768 -1.093 -0.933) 4.033 30.298 ( 6.029 4.941 2.422) 8.163 30.734 ( 1.182 -7.378 1.832) 7.694 30.831 ( 4.833 9.431 -4.944) 11.693 31.561 ( 1.125 5.807 0.524) 5.938 31.846 ( -8.862 -6.981 0.127) 11.282 32.294 ( -5.420 -14.004 1.095) 15.056 ======================= Grid point 24 (18/343) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 11.100 -5.308 1.560) 12.402 1.143 ( 12.673 -10.644 -1.529) 16.621 1.506 ( -1.978 0.918 -0.680) 2.284 1.776 ( 5.182 0.695 0.749) 5.282 2.141 ( -3.233 -25.019 0.208) 25.227 2.312 ( -2.220 -8.025 0.383) 8.335 2.750 ( -2.702 2.070 1.225) 3.618 2.784 ( 0.288 3.016 -0.345) 3.049 2.985 ( 6.752 -2.139 -0.630) 7.111 3.271 ( -4.292 5.337 -0.236) 6.853 3.329 ( 1.308 0.029 3.213) 3.469 3.519 ( 5.597 -3.640 -1.925) 6.949 3.601 ( 2.400 -5.810 0.772) 6.334 3.619 ( 4.016 -7.184 -1.800) 8.425 3.804 ( 7.789 -17.403 0.058) 19.067 4.555 ( -7.279 2.681 1.979) 8.005 5.182 ( 12.827 6.756 -0.688) 14.514 5.230 ( -3.055 1.580 -1.609) 3.797 6.808 ( -1.190 -23.269 -0.383) 23.303 7.091 ( 8.283 -20.017 0.222) 21.664 10.076 ( -7.614 14.058 -0.239) 15.989 10.272 ( -5.659 7.946 0.208) 9.757 10.652 ( -6.804 4.586 0.118) 8.206 10.673 ( -5.353 1.868 0.272) 5.676 12.981 ( -5.929 19.937 -0.129) 20.800 13.166 ( -8.890 23.341 0.248) 24.978 15.828 ( -0.241 -11.030 -0.240) 11.035 16.082 ( -2.291 -7.326 0.347) 7.684 17.358 ( 2.330 5.609 -0.203) 6.077 17.439 ( -2.780 0.061 -0.183) 2.787 17.771 ( 4.212 5.789 -0.197) 7.162 18.028 ( 3.523 0.545 0.844) 3.664 18.837 ( 2.514 -7.555 -1.323) 8.072 18.918 ( -1.557 -7.725 -0.294) 7.886 27.989 ( 3.261 -1.628 -0.251) 3.653 28.217 ( -4.606 -0.141 0.272) 4.616 30.244 ( 5.125 5.724 1.157) 7.769 30.671 ( 1.200 -8.134 1.737) 8.404 30.788 ( 7.470 15.680 -2.995) 17.625 31.594 ( -0.430 4.543 0.570) 4.599 31.942 ( -7.396 -6.680 -0.397) 9.974 32.289 ( -8.396 -23.537 0.958) 25.008 ======================= Grid point 25 (19/343) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 16.833 -5.694 0.000) 17.770 0.803 ( 15.483 -12.448 0.000) 19.867 1.443 ( 5.811 -23.472 0.000) 24.181 1.668 ( 6.229 -1.013 0.000) 6.310 1.884 ( 4.182 -29.281 0.000) 29.578 2.279 ( -2.837 -16.116 0.000) 16.364 2.790 ( 0.230 0.491 -0.000) 0.543 2.847 ( -5.122 2.257 -0.000) 5.598 2.859 ( 6.838 6.554 -0.000) 9.472 3.170 ( 13.777 -15.418 0.000) 20.676 3.331 ( -0.126 3.176 -0.000) 3.178 3.397 ( 2.665 3.364 -0.000) 4.292 3.486 ( 4.192 7.925 -0.000) 8.965 3.607 ( -3.066 -3.438 0.000) 4.607 3.737 ( -5.075 -10.235 0.000) 11.425 4.682 ( -3.710 2.541 -0.000) 4.497 4.994 ( 14.724 13.010 -0.000) 19.649 5.305 ( -3.752 1.451 -0.000) 4.022 6.746 ( -5.764 -13.885 0.000) 15.033 6.867 ( 4.696 -11.469 0.000) 12.393 10.259 ( -4.733 7.651 -0.000) 8.996 10.410 ( -5.074 4.585 -0.000) 6.838 10.766 ( -3.799 0.928 -0.000) 3.911 10.768 ( -3.452 2.282 -0.000) 4.138 13.231 ( -6.351 18.010 -0.000) 19.097 13.471 ( -7.513 19.642 -0.000) 21.030 15.749 ( 0.087 -10.896 0.000) 10.896 16.067 ( -1.684 -6.926 0.000) 7.128 17.344 ( 2.012 1.662 -0.000) 2.609 17.496 ( -3.276 0.526 -0.000) 3.317 17.742 ( 3.843 6.513 -0.000) 7.562 17.979 ( 3.340 2.471 -0.000) 4.155 18.725 ( 3.071 -7.952 0.000) 8.525 18.893 ( -1.583 -6.757 0.000) 6.940 27.926 ( 2.363 -1.447 0.000) 2.771 28.295 ( -3.878 0.237 -0.000) 3.885 30.216 ( 3.216 6.216 -0.000) 6.999 30.590 ( 1.830 -8.001 0.000) 8.207 30.762 ( 11.646 26.849 -0.000) 29.266 31.645 ( -2.089 2.678 -0.000) 3.396 32.010 ( -5.204 -5.334 0.000) 7.452 32.266 ( -14.609 -41.096 0.000) 43.616 ======================= Grid point 28 (20/343) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.000 0.000 16.808) 16.808 0.394 ( 0.000 0.000 18.019) 18.019 0.706 ( 0.000 0.000 32.024) 32.024 1.509 ( -0.000 -0.000 -1.354) 1.354 1.797 ( 0.000 0.000 3.095) 3.095 2.006 ( -0.000 -0.000 -5.930) 5.930 2.657 ( 0.000 0.000 0.194) 0.194 2.783 ( -0.000 -0.000 -0.851) 0.851 2.831 ( 0.000 0.000 1.237) 1.237 2.992 ( -0.000 -0.000 -0.168) 0.168 3.379 ( -0.000 -0.000 -1.254) 1.254 3.576 ( 0.000 0.000 0.714) 0.714 3.638 ( 0.000 0.000 0.082) 0.082 3.718 ( -0.000 -0.000 -4.372) 4.372 4.020 ( 0.000 0.000 9.010) 9.010 4.604 ( 0.000 0.000 2.186) 2.186 4.739 ( 0.000 0.000 0.016) 0.016 5.319 ( -0.000 -0.000 -6.975) 6.975 6.801 ( 0.000 0.000 0.146) 0.146 6.867 ( -0.000 -0.000 -0.732) 0.732 10.372 ( 0.000 0.000 0.746) 0.746 10.542 ( -0.000 -0.000 -1.330) 1.330 10.823 ( 0.000 0.000 0.248) 0.248 10.838 ( 0.000 0.000 0.048) 0.048 13.501 ( 0.000 0.000 1.601) 1.601 13.752 ( -0.000 -0.000 -1.440) 1.440 15.666 ( 0.000 0.000 1.606) 1.606 16.011 ( -0.000 -0.000 -2.721) 2.721 17.287 ( 0.000 0.000 1.476) 1.476 17.545 ( -0.000 -0.000 -2.130) 2.130 17.676 ( 0.000 0.000 0.976) 0.976 17.730 ( -0.000 -0.000 -0.168) 0.168 18.890 ( 0.000 0.000 1.580) 1.580 19.050 ( -0.000 -0.000 -0.500) 0.500 27.896 ( 0.000 0.000 2.255) 2.255 28.339 ( -0.000 -0.000 -3.129) 3.129 30.004 ( 0.000 0.000 1.280) 1.280 30.406 ( -0.000 -0.000 -5.231) 5.231 31.202 ( 0.000 0.000 7.708) 7.708 31.732 ( 0.000 0.000 0.482) 0.482 31.735 ( 0.000 0.000 0.509) 0.509 32.021 ( -0.000 -0.000 -3.845) 3.845 ======================= Grid point 29 (21/343) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -6.311 5.162 14.436) 16.579 0.650 ( -11.527 9.826 12.543) 19.666 1.217 ( -12.698 40.206 17.984) 45.838 1.540 ( -2.676 3.185 -1.304) 4.360 1.788 ( 0.239 -1.157 0.753) 1.401 2.087 ( -0.457 21.869 -5.656) 22.594 2.692 ( -4.284 -3.663 -1.465) 5.824 2.795 ( -0.446 1.505 0.110) 1.573 2.904 ( -7.595 3.575 0.745) 8.428 2.966 ( 1.920 -1.201 0.334) 2.290 3.317 ( 3.776 -2.569 -0.244) 4.573 3.538 ( 1.241 -7.735 0.079) 7.834 3.625 ( 2.519 2.211 -0.347) 3.369 3.701 ( 2.722 6.093 -2.585) 7.156 3.812 ( 12.188 -1.069 15.746) 19.940 4.700 ( 3.974 -0.969 -2.520) 4.805 4.840 ( -19.168 -13.395 0.840) 23.400 5.285 ( -0.906 -0.780 -6.048) 6.165 6.777 ( 4.354 4.674 0.395) 6.401 6.824 ( 2.577 4.659 1.485) 5.528 10.354 ( 1.691 -2.988 0.437) 3.461 10.496 ( 3.213 -2.326 -1.372) 4.197 10.813 ( 2.154 -0.206 -0.039) 2.164 10.814 ( 1.572 -0.224 -0.020) 1.588 13.444 ( 3.888 -9.721 1.420) 10.565 13.666 ( 4.159 -11.198 -1.748) 12.073 15.700 ( -0.290 6.338 1.835) 6.604 16.006 ( 0.651 4.521 -3.044) 5.489 17.327 ( -1.511 2.287 1.311) 3.038 17.525 ( 1.023 -0.490 -1.683) 2.030 17.729 ( -2.333 -5.196 -0.078) 5.696 17.779 ( -9.119 -2.657 -3.441) 10.102 18.904 ( 1.146 3.961 1.805) 4.501 18.935 ( 8.051 2.057 7.111) 10.937 27.921 ( -0.966 0.813 2.598) 2.889 28.304 ( 1.870 -0.102 -3.519) 3.987 30.094 ( -6.624 -2.966 -2.282) 7.608 30.407 ( -1.998 4.291 -6.005) 7.646 31.035 ( -4.674 -39.168 12.975) 41.525 31.685 ( 2.328 -5.171 -1.151) 5.787 31.954 ( 5.439 36.695 -4.380) 37.354 32.066 ( 2.395 23.816 -4.752) 24.403 ======================= Grid point 30 (22/343) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -10.904 6.803 7.146) 14.706 0.985 ( -11.937 8.434 8.233) 16.775 1.582 ( -0.245 1.098 -3.800) 3.963 1.620 ( -3.701 6.858 4.611) 9.055 1.930 ( -2.917 35.027 2.558) 35.242 2.188 ( 2.128 18.701 -5.189) 19.524 2.698 ( -1.085 -5.692 -3.375) 6.706 2.814 ( 0.122 1.009 1.200) 1.573 2.958 ( -3.013 -1.582 3.338) 4.767 3.165 ( -11.055 13.464 -0.449) 17.427 3.256 ( -0.007 -0.664 0.218) 0.699 3.441 ( 2.549 -7.671 -0.878) 8.131 3.590 ( 2.460 3.216 -0.380) 4.067 3.687 ( 2.205 5.243 2.508) 6.216 3.766 ( 2.746 1.737 7.280) 7.972 4.550 ( 8.136 -1.846 -7.910) 11.497 5.072 ( -15.213 -9.463 3.810) 18.317 5.287 ( -2.452 -1.901 -1.278) 3.355 6.757 ( 4.016 12.361 0.745) 13.019 6.880 ( -1.498 12.632 0.193) 12.721 10.269 ( 4.358 -6.913 0.839) 8.215 10.391 ( 4.813 -4.730 -1.250) 6.863 10.750 ( 4.255 -0.905 -0.451) 4.374 10.762 ( 3.852 -1.791 -0.354) 4.263 13.254 ( 6.292 -18.856 1.498) 19.934 13.441 ( 7.294 -19.389 -1.816) 20.795 15.775 ( -0.239 9.943 1.801) 10.108 16.020 ( 1.073 7.654 -2.731) 8.197 17.370 ( -2.104 -2.256 1.536) 3.446 17.487 ( 1.403 -1.820 -0.656) 2.390 17.747 ( -4.269 -6.026 0.394) 7.396 17.881 ( -6.559 -2.111 -3.574) 7.762 18.904 ( 3.144 6.136 5.078) 8.563 18.928 ( 1.938 6.561 2.681) 7.348 27.967 ( -1.658 1.355 2.418) 3.230 28.242 ( 2.820 0.245 -3.086) 4.188 30.139 ( -4.617 -7.069 -2.375) 8.771 30.471 ( -3.206 8.282 -5.443) 10.416 30.982 ( -6.806 -24.465 10.442) 27.457 31.596 ( 1.047 -6.841 -2.779) 7.458 32.017 ( 5.035 12.928 0.305) 13.878 32.152 ( 7.683 31.622 -4.869) 32.905 ======================= Grid point 31 (23/343) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -8.200 5.613 2.146) 10.166 1.262 ( -8.699 6.099 4.707) 11.620 1.515 ( 2.956 -0.323 -2.661) 3.991 1.718 ( -4.231 -0.373 -1.355) 4.459 2.107 ( 5.818 18.053 -2.012) 19.074 2.274 ( 1.128 18.470 -1.546) 18.569 2.632 ( 0.481 -5.556 -4.554) 7.200 2.811 ( 0.597 -1.239 0.883) 1.634 3.052 ( -3.665 -1.969 2.819) 5.026 3.210 ( -0.466 -2.791 -1.452) 3.180 3.293 ( 4.406 -5.201 0.588) 6.842 3.492 ( -3.930 12.182 -2.873) 13.119 3.587 ( 2.990 7.355 -0.204) 7.942 3.788 ( -6.570 12.413 4.443) 14.731 3.809 ( -2.612 5.049 2.877) 6.371 4.358 ( 5.906 2.612 -8.825) 10.935 5.260 ( -8.573 -8.100 3.072) 12.188 5.344 ( -6.301 -1.384 3.740) 7.457 6.851 ( -0.781 22.064 2.069) 22.174 7.063 ( -6.071 21.469 -1.436) 22.357 10.105 ( 7.155 -13.193 1.549) 15.088 10.245 ( 5.648 -8.910 -1.458) 10.650 10.639 ( 6.585 -3.512 -0.545) 7.483 10.651 ( 6.080 -1.984 -0.676) 6.431 12.997 ( 6.478 -21.251 0.834) 22.232 13.138 ( 8.419 -22.418 -1.318) 23.983 15.858 ( 0.123 10.062 1.612) 10.192 16.043 ( 1.578 8.381 -1.928) 8.744 17.379 ( -1.661 -6.071 0.899) 6.358 17.451 ( 1.129 -1.898 0.303) 2.229 17.795 ( -4.630 -4.494 1.308) 6.583 17.951 ( -4.589 -0.666 -3.086) 5.570 18.934 ( 1.412 7.117 2.324) 7.619 18.957 ( 1.762 6.696 2.507) 7.364 28.015 ( -1.410 0.751 1.139) 1.962 28.188 ( 2.303 1.683 -1.293) 3.132 30.155 ( -5.218 -7.960 -2.946) 9.964 30.568 ( -3.153 9.122 -3.430) 10.243 31.013 ( -6.341 -15.293 8.948) 18.819 31.534 ( -0.893 -5.695 -3.045) 6.520 31.967 ( 9.392 8.815 0.462) 12.889 32.204 ( 5.569 22.139 -3.119) 23.041 ======================= Grid point 32 (24/343) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -4.266 3.932 -0.918) 5.874 1.331 ( 2.863 2.389 -3.495) 5.111 1.574 ( -6.363 3.192 3.392) 7.886 1.742 ( -1.134 -2.621 -2.216) 3.615 2.061 ( 7.664 9.963 -2.448) 12.806 2.336 ( 1.764 6.385 0.403) 6.637 2.592 ( -2.704 -2.693 -5.732) 6.887 2.789 ( 0.348 -3.186 0.689) 3.278 3.031 ( 1.379 -8.779 -2.051) 9.120 3.166 ( 3.651 -0.267 1.024) 3.801 3.217 ( 0.603 -2.195 -0.094) 2.278 3.523 ( 4.448 2.663 -1.159) 5.312 3.560 ( 3.549 6.681 -1.682) 7.749 3.854 ( -0.053 -2.340 -4.013) 4.646 4.087 ( -8.943 18.832 3.749) 21.181 4.418 ( -7.097 19.089 -2.535) 20.523 5.307 ( -2.771 -8.167 4.482) 9.720 5.486 ( -6.370 -2.085 3.492) 7.558 7.137 ( -8.242 32.032 3.146) 33.225 7.390 ( -10.983 31.067 -2.574) 33.052 9.828 ( 11.170 -22.965 1.997) 25.616 10.027 ( 7.933 -17.950 -2.020) 19.728 10.479 ( 7.665 -3.067 0.141) 8.257 10.525 ( 5.988 -1.492 -1.064) 6.262 12.757 ( 4.525 -17.962 -0.011) 18.523 12.837 ( 7.560 -19.586 -0.534) 21.002 15.928 ( 0.221 8.156 1.356) 8.271 16.057 ( 2.125 6.894 -1.206) 7.314 17.365 ( -1.528 -6.203 0.500) 6.408 17.419 ( 1.377 -1.587 0.383) 2.136 17.852 ( -3.253 -2.654 2.177) 4.729 18.003 ( -3.525 -0.181 -3.062) 4.673 18.969 ( 1.120 6.485 0.925) 6.646 18.986 ( 0.931 5.115 1.577) 5.433 28.025 ( 0.159 -0.881 -0.937) 1.296 28.184 ( 0.429 3.581 1.214) 3.805 30.189 ( -6.358 -6.861 -3.078) 9.848 30.671 ( -2.777 8.669 -1.792) 9.278 31.069 ( -4.386 -9.295 8.461) 13.312 31.513 ( -1.994 -3.520 -2.734) 4.882 31.829 ( 10.923 4.754 -0.958) 11.951 32.236 ( 3.821 14.178 -1.757) 14.789 ======================= Grid point 33 (25/343) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -1.378 2.643 -1.519) 3.345 1.311 ( -1.347 5.890 -3.335) 6.902 1.601 ( 3.695 -4.730 -0.543) 6.026 1.776 ( -2.749 -1.048 0.179) 2.948 2.009 ( 2.870 9.410 0.180) 9.840 2.311 ( 2.347 -3.706 0.256) 4.394 2.612 ( -3.265 -0.494 -5.129) 6.100 2.772 ( -0.832 -3.781 1.257) 4.070 2.931 ( 0.450 -5.581 -3.246) 6.472 3.117 ( 3.598 2.244 1.676) 4.560 3.203 ( -0.144 -1.347 -0.317) 1.392 3.426 ( 5.651 0.522 0.964) 5.756 3.538 ( 3.186 5.774 -2.473) 7.043 3.817 ( -2.417 -4.911 -4.967) 7.391 4.350 ( -4.896 15.209 2.113) 16.116 4.711 ( -8.639 18.994 -0.664) 20.877 5.302 ( -0.675 -9.281 5.735) 10.931 5.545 ( -0.994 -3.241 1.024) 3.541 7.615 ( -14.337 39.509 2.986) 42.136 7.858 ( -15.030 37.811 -2.543) 40.768 9.392 ( 16.239 -33.553 1.084) 37.292 9.678 ( 11.416 -28.445 -1.450) 30.684 10.351 ( 5.146 -1.055 0.467) 5.274 10.422 ( 4.075 -0.250 -0.853) 4.171 12.594 ( 1.689 -12.375 -0.250) 12.492 12.605 ( 5.381 -11.795 -0.113) 12.965 15.980 ( -0.017 5.295 1.140) 5.416 16.052 ( 2.178 4.166 -0.896) 4.785 17.355 ( -1.318 -4.589 0.615) 4.814 17.385 ( 1.566 -0.276 -0.127) 1.595 17.885 ( -0.885 -1.400 1.640) 2.331 18.047 ( -3.265 -0.214 -2.132) 3.905 18.995 ( 0.774 4.359 0.504) 4.456 19.010 ( 0.465 3.276 0.561) 3.356 28.005 ( 0.151 -1.258 -0.979) 1.602 28.213 ( 0.348 3.336 1.318) 3.604 30.250 ( -6.603 -4.703 -2.297) 8.426 30.763 ( -1.741 7.751 -1.289) 8.048 31.110 ( -0.548 -5.298 7.888) 9.518 31.520 ( -1.789 -0.705 -2.679) 3.298 31.663 ( 7.809 0.029 -1.629) 7.977 32.254 ( 2.080 7.706 -0.883) 8.030 ======================= Grid point 34 (26/343) ======================= q-point: ( 0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -1.663 2.672 -0.844) 3.258 1.407 ( -1.067 5.654 0.598) 5.785 1.499 ( -2.101 -4.809 -2.694) 5.899 1.745 ( 3.897 0.286 0.586) 3.951 2.107 ( -4.322 7.363 1.147) 8.614 2.200 ( 4.586 -9.324 -0.705) 10.415 2.639 ( -2.625 -0.357 -2.238) 3.468 2.785 ( -1.874 -1.748 2.720) 3.737 2.926 ( -3.427 -0.164 -3.080) 4.611 3.082 ( 3.322 2.133 1.831) 4.352 3.194 ( -0.232 -1.410 -0.895) 1.686 3.377 ( 2.283 2.836 4.135) 5.509 3.515 ( 1.024 3.722 -2.378) 4.534 3.812 ( -3.199 -3.704 -5.542) 7.393 4.501 ( -0.870 10.307 1.796) 10.498 4.915 ( -3.536 4.746 -1.421) 6.087 5.273 ( 1.202 -4.764 6.986) 8.541 5.495 ( 2.644 -3.572 -2.978) 5.350 8.197 ( -16.281 40.478 1.566) 43.657 8.380 ( -13.331 31.574 -1.094) 34.290 8.812 ( 18.914 -38.596 -0.334) 42.983 9.253 ( 9.936 -27.798 -0.175) 29.521 10.285 ( 1.852 -0.732 0.114) 1.995 10.374 ( 1.146 0.716 -0.204) 1.367 12.480 ( 2.227 -3.360 0.009) 4.031 12.522 ( -0.321 -5.125 -0.115) 5.136 16.010 ( 0.605 1.673 0.724) 1.921 16.038 ( 0.424 1.425 -0.635) 1.616 17.346 ( 0.839 -0.098 0.336) 0.909 17.366 ( -0.228 -1.113 -0.189) 1.152 17.884 ( 0.597 -0.605 0.289) 0.898 18.092 ( -2.408 -0.036 -0.450) 2.450 19.007 ( 0.443 1.348 0.149) 1.427 19.020 ( 0.406 1.263 0.097) 1.331 27.999 ( -0.969 -1.322 -0.320) 1.670 28.223 ( 1.445 2.112 0.438) 2.597 30.323 ( -4.989 -2.026 -0.739) 5.435 30.823 ( -0.010 6.673 -1.616) 6.866 31.070 ( 5.370 -3.850 4.522) 8.007 31.522 ( 2.055 5.887 -2.984) 6.913 31.588 ( -3.225 -7.179 0.839) 7.915 32.266 ( 0.122 2.215 -0.239) 2.232 ======================= Grid point 35 (27/343) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -1.376 0.357 0.535) 1.519 1.363 ( 0.651 -4.493 -0.623) 4.583 1.640 ( -6.186 5.316 1.716) 8.335 1.714 ( 0.109 4.227 -0.346) 4.242 2.032 ( 4.646 -9.888 -1.172) 10.988 2.229 ( -3.700 4.457 0.257) 5.798 2.679 ( -1.840 1.876 -0.490) 2.673 2.829 ( -1.783 -1.383 2.578) 3.426 2.996 ( -4.860 1.199 -1.295) 5.170 3.043 ( 3.019 0.960 1.298) 3.423 3.186 ( -0.700 -1.170 -0.707) 1.536 3.422 ( -0.815 4.789 4.294) 6.484 3.559 ( -4.355 3.035 1.437) 5.499 3.807 ( -1.714 -1.627 -6.458) 6.876 4.544 ( 3.470 3.878 3.149) 6.083 4.860 ( 3.204 -15.000 -2.873) 15.606 5.248 ( 4.840 -1.698 5.552) 7.559 5.426 ( 1.114 3.814 -5.126) 6.486 8.130 ( 18.388 -42.716 -0.731) 46.511 8.423 ( 11.601 -26.742 0.450) 29.153 8.823 ( -15.609 39.394 0.063) 42.374 9.266 ( -13.366 25.093 0.207) 28.431 10.276 ( -1.638 -0.802 -0.126) 1.828 10.387 ( -1.830 1.183 0.204) 2.188 12.480 ( -1.170 6.061 0.002) 6.173 12.528 ( -1.771 1.407 0.072) 2.263 15.988 ( 0.958 -2.527 -0.212) 2.711 16.056 ( -1.589 -0.818 0.150) 1.793 17.335 ( 1.789 3.835 -0.097) 4.233 17.368 ( -1.096 -1.826 -0.034) 2.130 17.864 ( 1.490 0.601 -0.289) 1.633 18.121 ( -0.786 -0.013 0.443) 0.902 19.000 ( 0.114 -1.946 -0.087) 1.951 19.013 ( 0.602 -0.992 -0.127) 1.168 28.019 ( -2.352 -1.293 0.310) 2.701 28.196 ( 2.645 0.692 -0.400) 2.764 30.377 ( -1.095 0.809 0.957) 1.664 30.842 ( 1.846 6.192 -2.147) 6.809 30.939 ( 6.211 -5.157 0.939) 8.127 31.525 ( 1.863 7.291 -0.891) 7.578 31.643 ( -7.605 -7.828 1.133) 10.973 32.279 ( -1.814 -2.654 0.182) 3.220 ======================= Grid point 36 (28/343) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 1.144 -1.850 0.863) 2.340 1.351 ( -2.744 -3.245 -0.416) 4.270 1.674 ( 6.438 -4.054 0.936) 7.665 1.758 ( -1.174 6.248 -0.351) 6.367 2.003 ( -7.666 -1.964 -0.026) 7.913 2.298 ( -1.850 1.155 -0.117) 2.184 2.721 ( -0.565 4.264 -0.081) 4.302 2.816 ( 2.696 -3.226 0.967) 4.314 3.043 ( -2.222 2.272 0.434) 3.207 3.069 ( -2.416 -0.551 -0.155) 2.483 3.215 ( -3.454 0.901 0.138) 3.572 3.492 ( -2.162 3.258 0.887) 4.009 3.697 ( -2.920 -0.733 8.665) 9.173 3.795 ( -2.737 3.194 -8.819) 9.771 4.447 ( 9.041 -6.569 4.497) 12.047 4.616 ( 5.866 -21.317 -3.650) 22.409 5.168 ( 2.371 -1.884 0.120) 3.030 5.418 ( 4.069 7.454 -1.724) 8.666 7.523 ( 14.813 -40.736 -0.533) 43.349 7.932 ( 14.961 -35.644 0.404) 38.659 9.353 ( -14.117 33.387 -0.245) 36.250 9.730 ( -13.256 27.929 0.342) 30.917 10.335 ( -5.493 0.282 -0.096) 5.501 10.454 ( -4.310 1.646 0.228) 4.620 12.605 ( -3.049 8.940 0.115) 9.447 12.608 ( -4.789 14.415 -0.010) 15.190 15.946 ( 0.144 -6.044 -0.191) 6.049 16.076 ( -2.280 -3.487 0.124) 4.168 17.338 ( 1.862 6.074 -0.086) 6.354 17.378 ( -1.451 -1.621 -0.122) 2.179 17.837 ( 2.596 2.399 -0.254) 3.544 18.120 ( 1.069 -0.259 0.474) 1.197 18.977 ( -0.401 -4.880 -0.115) 4.898 18.981 ( 1.069 -3.468 -0.245) 3.637 28.066 ( -3.491 -1.044 0.876) 3.748 28.138 ( 3.341 -0.545 -0.977) 3.523 30.373 ( 3.850 3.209 1.254) 5.166 30.819 ( 2.563 -6.652 0.452) 7.142 30.828 ( 3.579 6.948 -2.143) 8.104 31.542 ( 1.730 7.076 -0.109) 7.285 31.742 ( -8.836 -7.522 0.523) 11.616 32.293 ( -3.641 -7.660 0.301) 8.487 ======================= Grid point 37 (29/343) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 5.123 -3.426 0.000) 6.163 1.372 ( 1.660 -5.549 0.000) 5.791 1.490 ( 5.536 -2.799 0.000) 6.203 1.814 ( 0.665 4.409 -0.000) 4.459 2.136 ( -8.260 -6.537 0.000) 10.534 2.318 ( -1.485 -2.944 0.000) 3.297 2.744 ( 2.201 -1.308 0.000) 2.560 2.758 ( 0.068 4.792 -0.000) 4.792 3.067 ( 1.240 -2.003 0.000) 2.356 3.143 ( -5.317 4.427 -0.000) 6.918 3.303 ( -4.330 1.008 -0.000) 4.446 3.548 ( -1.247 2.060 -0.000) 2.408 3.673 ( 3.052 -2.963 0.000) 4.254 3.790 ( 4.258 -9.565 0.000) 10.470 4.170 ( 13.747 -16.951 0.000) 21.825 4.449 ( -3.718 -8.086 0.000) 8.900 5.163 ( -1.876 0.833 -0.000) 2.053 5.343 ( 9.396 6.098 -0.000) 11.202 7.058 ( 7.116 -33.232 0.000) 33.985 7.452 ( 12.379 -29.489 0.000) 31.982 9.779 ( -10.945 23.515 -0.000) 25.938 10.076 ( -7.777 16.458 -0.000) 18.203 10.477 ( -8.447 3.908 -0.000) 9.307 10.559 ( -5.649 2.112 -0.000) 6.031 12.759 ( -4.547 15.574 -0.000) 16.224 12.852 ( -7.813 21.407 -0.000) 22.789 15.894 ( -0.302 -9.083 0.000) 9.088 16.087 ( -2.557 -5.848 0.000) 6.382 17.351 ( 2.045 6.946 -0.000) 7.240 17.398 ( -2.060 -1.022 0.000) 2.300 17.805 ( 3.673 4.330 -0.000) 5.678 18.085 ( 2.666 -0.311 0.000) 2.684 18.922 ( 1.838 -5.831 0.000) 6.114 18.947 ( -1.058 -6.976 0.000) 7.056 28.063 ( 3.780 -1.288 0.000) 3.994 28.137 ( -4.566 -0.665 0.000) 4.614 30.312 ( 5.979 4.590 -0.000) 7.538 30.747 ( 0.432 -8.204 0.000) 8.216 30.801 ( 5.486 10.559 -0.000) 11.899 31.564 ( 1.026 6.098 -0.000) 6.184 31.847 ( -8.634 -7.228 0.000) 11.260 32.300 ( -5.609 -14.016 0.000) 15.097 ======================= Grid point 42 (30/343) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 0.000 14.990) 14.990 0.576 ( 0.000 0.000 16.407) 16.407 1.029 ( 0.000 0.000 29.086) 29.086 1.493 ( -0.000 -0.000 -1.478) 1.478 1.831 ( 0.000 0.000 3.199) 3.199 1.931 ( -0.000 -0.000 -8.274) 8.274 2.661 ( 0.000 0.000 0.554) 0.554 2.771 ( -0.000 -0.000 -1.376) 1.376 2.848 ( 0.000 0.000 1.890) 1.890 2.988 ( -0.000 -0.000 -0.586) 0.586 3.366 ( -0.000 -0.000 -1.178) 1.178 3.585 ( 0.000 0.000 1.045) 1.045 3.639 ( 0.000 0.000 0.020) 0.020 3.662 ( -0.000 -0.000 -6.173) 6.173 4.134 ( 0.000 0.000 12.449) 12.449 4.630 ( 0.000 0.000 2.704) 2.704 4.739 ( -0.000 -0.000 -0.043) 0.043 5.229 ( -0.000 -0.000 -10.108) 10.108 6.803 ( 0.000 0.000 0.245) 0.245 6.858 ( -0.000 -0.000 -0.957) 0.957 10.381 ( 0.000 0.000 1.122) 1.122 10.525 ( -0.000 -0.000 -1.825) 1.825 10.826 ( 0.000 0.000 0.315) 0.315 10.838 ( 0.000 0.000 0.042) 0.042 13.521 ( 0.000 0.000 2.262) 2.262 13.733 ( -0.000 -0.000 -2.069) 2.069 15.687 ( 0.000 0.000 2.373) 2.373 15.977 ( -0.000 -0.000 -3.700) 3.700 17.306 ( 0.000 0.000 2.094) 2.094 17.520 ( -0.000 -0.000 -2.630) 2.630 17.686 ( 0.000 0.000 0.965) 0.965 17.727 ( -0.000 -0.000 -0.244) 0.244 18.910 ( 0.000 0.000 2.076) 2.076 19.043 ( -0.000 -0.000 -0.791) 0.791 27.926 ( 0.000 0.000 3.303) 3.303 28.300 ( -0.000 -0.000 -4.351) 4.351 30.021 ( 0.000 0.000 1.962) 1.962 30.346 ( -0.000 -0.000 -5.995) 5.995 31.293 ( 0.000 0.000 9.537) 9.537 31.737 ( 0.000 0.000 0.596) 0.596 31.740 ( 0.000 0.000 0.595) 0.595 31.971 ( -0.000 -0.000 -5.610) 5.610 ======================= Grid point 43 (31/343) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -2.902 5.658 16.401) 17.591 0.785 ( -9.882 5.914 12.930) 17.315 1.380 ( -8.574 22.203 10.968) 26.207 1.543 ( -1.037 14.844 3.803) 15.359 1.784 ( -0.171 -4.219 -1.996) 4.671 2.027 ( 0.314 24.452 -5.353) 25.033 2.686 ( -2.690 -3.304 0.061) 4.261 2.794 ( -1.288 3.083 -0.270) 3.353 2.915 ( -7.083 3.024 1.304) 7.811 2.969 ( 0.810 -1.165 0.196) 1.432 3.316 ( 3.179 -2.384 0.045) 3.974 3.531 ( 1.549 -8.267 -1.749) 8.591 3.617 ( 2.647 3.411 -1.047) 4.443 3.673 ( 0.661 6.060 -2.101) 6.448 3.975 ( 13.991 -1.513 15.106) 20.646 4.665 ( 6.888 -1.340 -4.124) 8.139 4.858 ( -18.421 -8.787 2.497) 20.561 5.213 ( -4.119 -0.797 -7.390) 8.498 6.781 ( 4.144 4.401 0.455) 6.062 6.833 ( 2.366 5.263 0.276) 5.777 10.362 ( 1.918 -2.814 1.038) 3.560 10.479 ( 2.983 -2.323 -1.791) 4.183 10.813 ( 2.611 -0.127 0.029) 2.614 10.814 ( 1.550 -0.312 0.045) 1.581 13.463 ( 3.749 -10.576 2.190) 11.432 13.644 ( 4.108 -11.196 -2.317) 12.149 15.723 ( -0.213 5.993 2.616) 6.542 15.970 ( 0.455 4.755 -3.803) 6.106 17.345 ( -1.810 1.314 2.014) 3.010 17.505 ( 0.276 -0.543 -2.105) 2.191 17.728 ( -2.476 -5.063 -0.056) 5.637 17.753 ( -7.218 -3.030 -1.659) 8.002 18.925 ( 1.256 3.934 2.133) 4.648 18.986 ( 5.412 3.134 2.942) 6.911 27.953 ( -0.731 0.735 3.518) 3.668 28.261 ( 1.553 0.010 -4.492) 4.753 30.083 ( -4.899 -2.523 0.111) 5.512 30.342 ( -2.185 3.697 -6.112) 7.470 31.167 ( -2.302 -33.882 12.082) 36.045 31.669 ( 1.833 -9.648 -2.024) 10.027 31.920 ( 3.835 35.993 -2.287) 36.269 32.020 ( 0.796 18.445 -4.195) 18.933 ======================= Grid point 44 (32/343) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -6.107 5.589 12.608) 15.083 1.073 ( -10.807 5.627 8.182) 14.677 1.522 ( -1.447 1.338 -6.887) 7.164 1.662 ( -0.616 -0.338 2.622) 2.714 1.959 ( -1.210 37.622 2.857) 37.750 2.133 ( 2.592 21.617 -5.096) 22.360 2.670 ( 0.101 -6.425 -2.155) 6.778 2.826 ( 0.612 2.202 1.085) 2.530 2.994 ( -4.469 -0.907 3.277) 5.616 3.164 ( -9.841 11.909 0.215) 15.451 3.263 ( -0.164 0.722 0.936) 1.193 3.425 ( 2.776 -6.826 -2.226) 7.697 3.584 ( 2.718 3.706 -0.734) 4.654 3.696 ( 0.523 6.675 0.205) 6.698 3.865 ( 5.688 -0.942 10.675) 12.133 4.457 ( 9.930 -1.695 -9.689) 13.977 5.112 ( -14.965 -7.755 3.849) 17.289 5.271 ( -5.746 -2.314 -1.798) 6.450 6.766 ( 3.144 11.471 0.842) 11.924 6.880 ( -0.396 13.547 -0.171) 13.554 10.280 ( 4.306 -6.598 1.250) 7.978 10.376 ( 4.612 -4.889 -1.594) 6.907 10.746 ( 4.502 -0.971 -0.190) 4.609 10.758 ( 4.094 -1.606 -0.379) 4.414 13.272 ( 6.493 -19.343 1.899) 20.492 13.420 ( 7.084 -19.138 -2.164) 20.521 15.798 ( -0.154 9.318 2.371) 9.616 15.988 ( 0.685 8.221 -3.159) 8.834 17.388 ( -1.923 -2.673 1.798) 3.752 17.479 ( 0.502 -2.150 -0.962) 2.409 17.752 ( -4.570 -5.782 0.596) 7.395 17.847 ( -6.532 -2.245 -2.909) 7.494 18.936 ( 2.567 6.078 1.963) 6.884 18.966 ( 3.008 6.520 3.578) 8.022 27.995 ( -1.103 1.116 2.996) 3.382 28.207 ( 2.066 0.636 -3.644) 4.237 30.120 ( -3.945 -7.418 -1.326) 8.505 30.417 ( -4.157 8.234 -4.743) 10.371 31.092 ( -5.106 -23.356 10.334) 26.046 31.563 ( -0.016 -9.967 -3.701) 10.632 32.020 ( 5.266 15.946 0.251) 16.795 32.105 ( 6.172 29.129 -4.008) 30.044 ======================= Grid point 45 (33/343) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.472 4.013 6.240) 8.663 1.305 ( -5.542 3.469 3.026) 7.204 1.473 ( -0.407 1.692 -4.869) 5.170 1.709 ( -3.028 -0.712 -0.515) 3.153 2.085 ( 6.501 15.987 -2.070) 17.382 2.259 ( 1.058 22.652 -1.327) 22.716 2.590 ( 0.847 -7.147 -3.410) 7.964 2.819 ( 1.181 -0.363 0.571) 1.361 3.078 ( -2.489 -4.690 2.073) 5.700 3.205 ( 0.425 -1.816 0.297) 1.889 3.295 ( 4.048 -4.934 -0.176) 6.384 3.464 ( -3.331 12.136 -2.206) 12.776 3.585 ( 2.631 7.739 -0.172) 8.176 3.800 ( -3.284 13.355 0.166) 13.754 3.876 ( -2.786 2.880 7.332) 8.355 4.263 ( 4.071 4.928 -8.988) 11.029 5.289 ( -8.267 -8.267 2.322) 11.920 5.378 ( -8.305 -1.282 2.735) 8.837 6.873 ( -1.947 21.235 2.052) 21.423 7.048 ( -4.864 22.411 -1.536) 22.984 10.123 ( 6.999 -12.758 1.771) 14.660 10.228 ( 5.624 -9.414 -1.708) 11.098 10.634 ( 6.547 -3.135 -0.443) 7.273 10.645 ( 6.378 -2.054 -0.463) 6.716 13.006 ( 6.813 -22.010 0.886) 23.058 13.124 ( 8.128 -21.811 -1.285) 23.312 15.876 ( 0.164 9.403 1.768) 9.570 16.022 ( 1.245 9.086 -1.997) 9.386 17.388 ( -1.317 -6.331 0.766) 6.512 17.453 ( 0.482 -2.472 0.146) 2.523 17.810 ( -5.020 -4.009 1.579) 6.615 17.920 ( -4.566 -0.723 -2.890) 5.452 18.952 ( 1.897 7.088 1.292) 7.450 18.983 ( 2.232 6.367 2.281) 7.122 28.026 ( -0.294 0.008 1.035) 1.076 28.175 ( 0.979 2.670 -1.181) 3.079 30.128 ( -4.925 -8.477 -2.119) 10.030 30.536 ( -4.058 9.218 -2.615) 10.406 31.105 ( -5.676 -15.021 8.415) 18.129 31.498 ( -1.749 -6.986 -3.741) 8.116 31.969 ( 10.284 9.968 -0.021) 14.322 32.175 ( 4.760 21.874 -2.212) 22.495 ======================= Grid point 46 (34/343) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -2.349 3.240 1.435) 4.252 1.286 ( 3.128 1.767 -4.905) 6.080 1.610 ( -7.109 3.051 3.320) 8.418 1.720 ( -0.443 -1.923 -2.026) 2.828 2.038 ( 7.402 11.002 -1.840) 13.388 2.340 ( 1.776 7.659 0.213) 7.865 2.538 ( -2.575 -4.239 -4.226) 6.516 2.794 ( 0.504 -2.170 0.358) 2.257 3.013 ( 2.079 -11.331 -1.341) 11.598 3.175 ( 3.173 1.134 0.770) 3.457 3.220 ( 1.166 -2.192 0.425) 2.519 3.506 ( 2.973 4.962 -1.732) 6.038 3.548 ( 5.057 4.494 -0.643) 6.796 3.819 ( 1.846 -1.616 -2.507) 3.508 4.126 ( -8.548 16.711 3.317) 19.061 4.392 ( -8.729 21.147 -2.385) 23.002 5.347 ( -4.617 -9.560 3.127) 11.067 5.516 ( -5.226 -1.048 2.158) 5.750 7.169 ( -8.837 31.298 2.872) 32.648 7.363 ( -10.305 31.912 -2.460) 33.625 9.849 ( 11.413 -22.794 1.811) 25.555 10.006 ( 7.798 -18.375 -1.840) 20.046 10.481 ( 7.328 -2.912 0.183) 7.887 10.515 ( 6.231 -1.286 -0.798) 6.412 12.757 ( 4.525 -18.817 0.010) 19.353 12.832 ( 7.484 -18.893 -0.396) 20.325 15.942 ( 0.179 7.641 1.208) 7.738 16.044 ( 2.037 7.449 -1.093) 7.800 17.369 ( -1.434 -5.948 0.379) 6.130 17.422 ( 1.209 -2.370 0.176) 2.667 17.877 ( -3.013 -1.907 2.537) 4.376 17.971 ( -3.840 -0.578 -3.090) 4.963 18.978 ( 1.293 6.334 0.655) 6.498 19.000 ( 1.414 4.982 1.029) 5.280 28.016 ( 0.564 -1.203 -0.616) 1.465 28.195 ( -0.049 4.108 0.807) 4.187 30.162 ( -6.419 -7.185 -1.989) 9.838 30.655 ( -3.175 8.745 -1.212) 9.382 31.153 ( -4.455 -9.370 7.197) 12.626 31.481 ( -2.089 -2.925 -3.326) 4.898 31.819 ( 11.378 4.230 -0.804) 12.165 32.221 ( 3.511 14.327 -1.129) 14.795 ======================= Grid point 47 (35/343) ======================= q-point: ( 0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.863 2.650 -0.571) 2.845 1.277 ( -2.799 5.978 -2.699) 7.131 1.598 ( 4.954 -5.049 -0.035) 7.074 1.777 ( -2.639 -0.682 0.082) 2.727 2.010 ( 1.788 10.483 0.110) 10.635 2.313 ( 2.423 -4.384 0.121) 5.011 2.568 ( -4.130 -0.754 -2.936) 5.123 2.785 ( -1.119 -2.620 1.094) 3.052 2.902 ( 0.590 -6.544 -2.073) 6.890 3.132 ( 3.650 2.947 1.153) 4.831 3.199 ( 0.077 -1.757 -0.341) 1.792 3.444 ( 4.873 2.280 2.268) 5.838 3.507 ( 3.136 5.194 -3.209) 6.864 3.775 ( -1.450 -4.638 -2.706) 5.563 4.369 ( -4.650 14.618 1.406) 15.404 4.704 ( -8.791 19.096 -0.630) 21.031 5.354 ( -2.371 -10.829 3.885) 11.747 5.549 ( 0.906 -2.162 -0.108) 2.347 7.643 ( -14.129 38.919 2.122) 41.458 7.833 ( -15.142 38.610 -1.872) 41.515 9.401 ( 16.916 -33.632 0.661) 37.652 9.665 ( 10.795 -28.516 -0.872) 30.504 10.355 ( 5.084 -1.419 0.305) 5.287 10.414 ( 4.033 0.227 -0.516) 4.072 12.592 ( 1.465 -12.675 -0.139) 12.760 12.604 ( 5.447 -11.660 -0.066) 12.870 15.991 ( -0.125 4.966 0.871) 5.044 16.043 ( 2.298 4.481 -0.732) 5.089 17.361 ( -1.309 -4.125 0.492) 4.355 17.383 ( 1.630 -0.836 -0.240) 1.848 17.901 ( 0.098 -1.012 1.186) 1.562 18.028 ( -4.282 -0.482 -1.437) 4.543 18.999 ( 0.849 4.203 0.303) 4.298 19.014 ( 0.745 3.305 0.281) 3.400 27.998 ( -0.076 -1.483 -0.505) 1.569 28.224 ( 0.643 3.655 0.695) 3.775 30.231 ( -6.982 -4.820 -1.203) 8.569 30.753 ( -1.594 7.817 -0.711) 8.009 31.183 ( -0.008 -5.342 5.599) 7.738 31.487 ( -0.752 1.801 -3.059) 3.628 31.651 ( 6.410 -2.389 -0.641) 6.871 32.247 ( 1.838 7.748 -0.480) 7.977 ======================= Grid point 48 (36/343) ======================= q-point: ( 0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -1.877 2.929 -0.307) 3.493 1.411 ( -2.851 7.199 0.084) 7.744 1.480 ( -1.139 -5.980 -0.879) 6.151 1.749 ( 3.740 0.870 0.211) 3.846 2.115 ( -4.296 7.159 0.393) 8.358 2.195 ( 4.720 -10.172 -0.272) 11.217 2.623 ( -3.479 -0.395 -0.775) 3.587 2.810 ( -2.382 -1.749 1.635) 3.377 2.899 ( -3.527 0.270 -1.677) 3.915 3.097 ( 3.485 2.717 0.787) 4.488 3.186 ( -0.320 -1.908 -0.490) 1.996 3.427 ( 1.922 4.043 4.870) 6.615 3.481 ( 0.510 4.862 -4.017) 6.327 3.768 ( -2.698 -4.929 -2.346) 6.089 4.515 ( -0.845 11.289 0.757) 11.346 4.904 ( -3.313 3.577 -0.599) 4.912 5.340 ( -0.842 -4.866 4.646) 6.780 5.459 ( 5.422 -3.830 -3.124) 7.337 8.209 ( -15.844 39.895 0.629) 42.931 8.371 ( -13.754 32.669 -0.454) 35.449 8.809 ( 19.419 -38.674 -0.133) 43.276 9.252 ( 9.457 -28.138 -0.057) 29.685 10.285 ( 1.892 -0.990 0.037) 2.136 10.373 ( 1.044 1.022 -0.068) 1.462 12.480 ( 2.406 -2.920 0.004) 3.784 12.521 ( -0.641 -5.702 -0.042) 5.739 16.017 ( 1.572 1.226 0.491) 2.053 16.032 ( -0.488 1.837 -0.459) 1.956 17.349 ( 1.774 1.204 0.161) 2.150 17.364 ( -1.007 -2.309 -0.110) 2.522 17.886 ( 1.002 -0.593 0.095) 1.168 18.088 ( -2.941 -0.053 -0.150) 2.945 19.008 ( 0.521 1.235 0.056) 1.342 19.021 ( 0.534 1.335 0.030) 1.438 27.997 ( -1.319 -1.601 -0.112) 2.077 28.226 ( 1.900 2.415 0.153) 3.077 30.318 ( -5.666 -2.122 -0.249) 6.055 30.811 ( 0.516 6.952 -0.583) 6.996 31.105 ( 7.130 -3.717 1.820) 8.244 31.498 ( 1.085 6.005 -1.295) 6.238 31.594 ( -3.818 -7.508 0.314) 8.429 32.264 ( -0.095 2.161 -0.085) 2.165 ======================= Grid point 49 (37/343) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.832 0.811 -0.000) 2.003 1.359 ( 0.978 -4.851 0.000) 4.948 1.649 ( -8.238 5.665 -0.000) 9.997 1.712 ( 1.776 4.510 -0.000) 4.847 2.025 ( 4.683 -10.167 0.000) 11.194 2.230 ( -3.649 4.182 -0.000) 5.551 2.676 ( -1.996 1.972 -0.000) 2.806 2.843 ( -1.844 -2.134 0.000) 2.820 2.989 ( -5.227 1.782 -0.000) 5.522 3.050 ( 3.164 0.997 -0.000) 3.317 3.182 ( -0.844 -1.220 0.000) 1.484 3.447 ( -0.005 3.875 -0.000) 3.876 3.571 ( -6.198 7.243 -0.000) 9.533 3.766 ( -1.283 -4.367 0.000) 4.552 4.562 ( 3.330 6.236 -0.000) 7.069 4.843 ( 3.421 -16.702 0.000) 17.049 5.288 ( 7.045 -5.170 0.000) 8.739 5.389 ( -0.363 6.556 -0.000) 6.567 8.126 ( 18.504 -42.815 0.000) 46.642 8.426 ( 11.529 -26.532 0.000) 28.929 8.824 ( -15.409 39.529 -0.000) 42.426 9.267 ( -13.595 24.895 -0.000) 28.366 10.276 ( -1.628 -0.886 0.000) 1.853 10.389 ( -1.873 1.293 -0.000) 2.276 12.480 ( -1.108 6.224 -0.000) 6.322 12.528 ( -1.906 1.172 -0.000) 2.237 15.987 ( 1.026 -2.566 0.000) 2.763 16.057 ( -1.629 -0.797 0.000) 1.814 17.335 ( 1.910 4.011 -0.000) 4.443 17.368 ( -1.114 -1.946 0.000) 2.242 17.863 ( 1.581 0.595 -0.000) 1.689 18.123 ( -0.966 -0.011 0.000) 0.966 18.999 ( 0.151 -1.982 0.000) 1.987 19.012 ( 0.679 -0.981 0.000) 1.193 28.021 ( -2.664 -1.535 0.000) 3.074 28.194 ( 3.011 0.948 -0.000) 3.157 30.382 ( -1.686 0.652 -0.000) 1.807 30.830 ( 2.546 6.800 -0.000) 7.261 30.944 ( 6.559 -5.430 0.000) 8.515 31.520 ( 1.597 7.287 -0.000) 7.460 31.649 ( -7.762 -7.942 0.000) 11.105 32.280 ( -1.939 -2.688 0.000) 3.315 ======================= Grid point 56 (38/343) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.000 0.000 12.557) 12.557 0.735 ( 0.000 0.000 13.434) 13.434 1.314 ( 0.000 0.000 24.838) 24.838 1.481 ( -0.000 -0.000 -0.569) 0.569 1.835 ( -0.000 -0.000 -9.904) 9.904 1.859 ( 0.000 0.000 1.745) 1.745 2.669 ( 0.000 0.000 0.981) 0.981 2.754 ( -0.000 -0.000 -1.705) 1.705 2.870 ( 0.000 0.000 2.288) 2.288 2.979 ( -0.000 -0.000 -1.132) 1.132 3.357 ( -0.000 -0.000 -0.320) 0.320 3.591 ( -0.000 -0.000 -7.292) 7.292 3.597 ( 0.000 0.000 1.208) 1.208 3.638 ( -0.000 -0.000 -0.140) 0.140 4.279 ( 0.000 0.000 14.939) 14.939 4.659 ( 0.000 0.000 2.743) 2.743 4.738 ( -0.000 -0.000 -0.232) 0.232 5.108 ( -0.000 -0.000 -12.810) 12.810 6.806 ( 0.000 0.000 0.374) 0.374 6.847 ( -0.000 -0.000 -1.050) 1.050 10.395 ( 0.000 0.000 1.488) 1.488 10.504 ( -0.000 -0.000 -2.149) 2.149 10.829 ( 0.000 0.000 0.328) 0.328 10.839 ( 0.000 0.000 0.007) 0.007 13.548 ( 0.000 0.000 2.772) 2.772 13.709 ( -0.000 -0.000 -2.591) 2.591 15.716 ( 0.000 0.000 3.086) 3.086 15.935 ( -0.000 -0.000 -4.319) 4.319 17.331 ( 0.000 0.000 2.585) 2.585 17.491 ( -0.000 -0.000 -2.942) 2.942 17.696 ( 0.000 0.000 0.847) 0.847 17.724 ( -0.000 -0.000 -0.316) 0.316 18.933 ( 0.000 0.000 2.312) 2.312 19.033 ( -0.000 -0.000 -1.118) 1.118 27.966 ( 0.000 0.000 4.240) 4.240 28.249 ( -0.000 -0.000 -5.221) 5.221 30.045 ( 0.000 0.000 2.681) 2.681 30.282 ( -0.000 -0.000 -5.989) 5.989 31.399 ( 0.000 0.000 10.397) 10.397 31.744 ( 0.000 0.000 0.583) 0.583 31.747 ( 0.000 0.000 0.533) 0.533 31.904 ( -0.000 -0.000 -7.189) 7.189 ======================= Grid point 57 (39/343) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -3.543 7.866 13.627) 16.129 0.917 ( -8.455 4.252 11.820) 15.142 1.426 ( -3.288 -1.431 -0.010) 3.586 1.640 ( 0.464 31.374 12.100) 33.630 1.740 ( -1.851 -5.398 -6.228) 8.447 1.980 ( 1.806 26.231 -3.413) 26.513 2.689 ( -1.619 -3.757 0.488) 4.120 2.790 ( -2.309 5.157 -0.457) 5.669 2.931 ( -6.194 2.083 1.589) 6.725 2.970 ( -0.829 -0.799 0.039) 1.152 3.321 ( 2.616 -2.376 0.969) 3.665 3.496 ( 2.039 -5.850 -4.742) 7.802 3.609 ( 2.001 2.283 -0.286) 3.049 3.659 ( -0.251 4.760 -0.768) 4.828 4.132 ( 14.918 -1.601 14.612) 20.943 4.611 ( 10.421 -1.677 -6.386) 12.336 4.891 ( -17.652 -5.990 3.623) 18.990 5.133 ( -8.175 -0.990 -7.648) 11.239 6.786 ( 3.867 3.887 0.473) 5.503 6.832 ( 2.158 6.093 -0.275) 6.470 10.376 ( 2.103 -2.716 1.499) 3.748 10.459 ( 2.750 -2.363 -2.049) 4.165 10.814 ( 2.625 -0.160 0.070) 2.630 10.815 ( 1.839 -0.288 0.040) 1.862 13.489 ( 3.805 -11.075 2.704) 12.018 13.617 ( 4.032 -11.161 -2.739) 12.179 15.755 ( -0.125 5.663 3.268) 6.539 15.927 ( 0.236 5.060 -4.214) 6.589 17.369 ( -1.848 0.686 2.479) 3.167 17.481 ( -0.413 -0.463 -2.442) 2.520 17.727 ( -2.711 -4.871 0.001) 5.574 17.740 ( -5.665 -3.431 -0.873) 6.680 18.948 ( 1.437 3.842 2.152) 4.632 19.004 ( 3.463 3.944 0.723) 5.298 27.995 ( -0.416 0.614 4.309) 4.373 28.210 ( 1.164 0.153 -5.113) 5.246 30.093 ( -3.369 -2.593 1.579) 4.535 30.281 ( -2.590 3.468 -5.520) 7.015 31.288 ( -1.031 -30.577 10.969) 32.501 31.641 ( 0.823 -15.384 -3.490) 15.797 31.903 ( 3.066 33.497 -0.969) 33.651 31.979 ( 0.857 20.665 -3.462) 20.970 ======================= Grid point 58 (40/343) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -3.121 5.189 14.614) 15.818 1.152 ( -9.663 2.827 6.565) 12.019 1.438 ( -0.134 0.969 -9.135) 9.187 1.673 ( -2.031 -4.509 -0.299) 4.955 1.989 ( 1.088 38.584 2.769) 38.699 2.085 ( 3.712 24.444 -3.882) 25.027 2.652 ( 0.956 -7.149 -1.252) 7.320 2.836 ( 1.095 3.309 0.707) 3.557 3.024 ( -5.665 -0.570 2.336) 6.154 3.170 ( -9.322 11.785 0.979) 15.058 3.275 ( 0.072 0.520 1.422) 1.516 3.395 ( 2.597 -4.960 -3.310) 6.504 3.577 ( 2.485 2.905 -0.450) 3.850 3.697 ( -0.481 6.170 0.085) 6.189 3.983 ( 8.268 -1.267 11.500) 14.221 4.348 ( 10.988 -1.591 -10.911) 15.567 5.152 ( -14.150 -6.306 3.616) 15.908 5.249 ( -8.836 -2.870 -2.306) 9.572 6.774 ( 2.311 10.553 0.696) 10.826 6.877 ( 0.488 14.537 -0.309) 14.548 10.295 ( 4.335 -6.338 1.544) 7.832 10.358 ( 4.393 -5.069 -1.771) 6.938 10.746 ( 4.657 -1.123 0.022) 4.790 10.754 ( 4.321 -1.385 -0.346) 4.551 13.293 ( 6.840 -19.938 2.001) 21.173 13.396 ( 6.768 -18.710 -2.175) 20.015 15.824 ( 0.049 8.498 2.611) 8.891 15.955 ( 0.252 9.019 -3.132) 9.550 17.407 ( -1.530 -3.240 1.792) 4.006 17.467 ( -0.383 -2.116 -1.189) 2.458 17.760 ( -4.949 -5.683 0.796) 7.578 17.820 ( -6.156 -2.279 -2.203) 6.924 18.953 ( 2.595 5.857 1.322) 6.541 18.995 ( 2.933 6.803 1.913) 7.651 28.029 ( -0.336 0.638 3.320) 3.397 28.167 ( 1.135 1.218 -3.787) 4.137 30.111 ( -3.068 -7.862 -0.522) 8.456 30.374 ( -5.025 8.307 -3.238) 10.235 31.195 ( -3.599 -22.132 8.921) 24.132 31.519 ( -1.429 -13.314 -4.468) 14.116 32.022 ( 5.880 18.106 0.195) 19.038 32.070 ( 5.196 28.106 -2.630) 28.703 ======================= Grid point 59 (41/343) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.647 1.843 8.936) 9.147 1.307 ( 1.131 0.109 -3.709) 3.879 1.431 ( -8.004 5.256 -2.097) 9.802 1.705 ( -2.378 -1.028 -0.293) 2.607 2.067 ( 6.970 15.179 -1.309) 16.754 2.247 ( 1.160 25.170 -0.796) 25.209 2.562 ( 1.274 -8.194 -1.775) 8.480 2.823 ( 1.666 0.291 0.263) 1.711 3.094 ( -1.712 -6.796 0.943) 7.072 3.214 ( 1.296 -0.953 1.110) 1.955 3.289 ( 3.251 -4.621 -0.819) 5.709 3.447 ( -2.559 12.091 -1.029) 12.401 3.584 ( 2.346 7.843 -0.103) 8.187 3.801 ( -2.576 11.934 0.048) 12.208 3.953 ( -0.255 2.138 6.945) 7.271 4.172 ( 1.393 7.778 -7.893) 11.169 5.308 ( -8.164 -8.334 1.228) 11.730 5.400 ( -9.528 -1.206 1.431) 9.710 6.892 ( -3.123 20.299 1.408) 20.586 7.033 ( -3.677 23.430 -1.119) 23.743 10.141 ( 6.960 -12.389 1.550) 14.294 10.211 ( 5.540 -9.839 -1.520) 11.394 10.630 ( 6.595 -2.979 -0.237) 7.240 10.642 ( 6.524 -2.012 -0.237) 6.831 13.015 ( 7.136 -22.761 0.634) 23.862 13.112 ( 7.840 -21.166 -0.858) 22.587 15.893 ( 0.249 8.612 1.364) 8.723 16.003 ( 0.964 9.913 -1.481) 10.070 17.394 ( -1.031 -6.555 0.440) 6.650 17.454 ( 0.017 -2.813 0.049) 2.814 17.828 ( -5.649 -3.861 1.593) 7.025 17.892 ( -4.165 -0.575 -2.285) 4.785 18.963 ( 2.045 6.921 0.686) 7.249 19.002 ( 2.600 6.335 1.183) 6.950 28.035 ( 0.767 -0.789 0.646) 1.276 28.164 ( -0.237 3.629 -0.735) 3.710 30.111 ( -4.662 -8.792 -1.094) 10.011 30.514 ( -4.679 9.218 -1.404) 10.432 31.183 ( -5.005 -14.681 6.027) 16.641 31.459 ( -2.633 -8.234 -3.457) 9.310 31.967 ( 10.925 10.961 -0.184) 15.477 32.158 ( 4.314 21.710 -1.075) 22.161 ======================= Grid point 60 (42/343) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.040 2.008 3.646) 4.163 1.233 ( 2.185 2.128 -4.964) 5.826 1.640 ( -8.934 3.131 1.924) 9.661 1.701 ( 1.477 -1.761 -1.353) 2.667 2.024 ( 7.240 11.621 -0.693) 13.710 2.341 ( 1.754 8.558 0.054) 8.736 2.507 ( -2.409 -5.252 -1.530) 5.977 2.797 ( 0.590 -1.472 0.099) 1.589 3.003 ( 2.439 -12.567 -0.443) 12.809 3.181 ( 3.113 1.750 0.284) 3.582 3.224 ( 1.308 -2.210 0.222) 2.577 3.492 ( 2.243 5.748 -0.816) 6.224 3.545 ( 5.818 3.619 -0.132) 6.853 3.802 ( 2.678 -1.368 -0.788) 3.108 4.152 ( -8.040 15.348 1.369) 17.380 4.372 ( -9.769 22.610 -1.053) 24.653 5.370 ( -5.801 -10.364 1.121) 11.930 5.531 ( -4.456 -0.390 0.718) 4.530 7.193 ( -9.378 30.551 1.323) 31.985 7.343 ( -9.717 32.723 -1.173) 34.156 9.863 ( 11.705 -22.721 0.810) 25.572 9.991 ( 7.565 -18.586 -0.823) 20.084 10.482 ( 7.063 -2.893 0.101) 7.633 10.509 ( 6.448 -1.112 -0.315) 6.551 12.757 ( 4.526 -19.351 0.008) 19.873 12.829 ( 7.440 -18.449 -0.147) 19.894 15.951 ( 0.121 7.184 0.530) 7.204 16.035 ( 2.025 7.931 -0.487) 8.200 17.372 ( -1.395 -5.777 0.143) 5.945 17.423 ( 1.128 -2.836 0.045) 3.052 17.904 ( -2.179 -0.996 2.506) 3.467 17.939 ( -4.714 -1.291 -2.692) 5.579 18.983 ( 1.358 6.221 0.241) 6.372 19.007 ( 1.693 4.945 0.350) 5.239 28.012 ( 0.746 -1.364 -0.215) 1.569 28.201 ( -0.275 4.383 0.282) 4.400 30.148 ( -6.448 -7.342 -0.685) 9.795 30.646 ( -3.391 8.764 -0.427) 9.406 31.212 ( -4.668 -9.768 3.286) 11.314 31.450 ( -1.946 -2.300 -1.926) 3.576 31.813 ( 11.573 3.985 -0.309) 12.244 32.213 ( 3.382 14.424 -0.383) 14.820 ======================= Grid point 61 (43/343) ======================= q-point: (-0.31 -0.69 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.301 2.471 -0.000) 2.489 1.262 ( -3.678 6.138 -0.000) 7.156 1.598 ( 5.358 -5.089 0.000) 7.390 1.778 ( -2.572 -0.561 0.000) 2.632 2.011 ( 1.390 10.832 -0.000) 10.921 2.314 ( 2.444 -4.667 0.000) 5.268 2.553 ( -4.444 -0.766 0.000) 4.509 2.792 ( -1.359 -1.846 0.000) 2.292 2.891 ( 0.776 -7.208 0.000) 7.249 3.139 ( 3.673 3.383 -0.000) 4.994 3.197 ( 0.191 -2.102 0.000) 2.111 3.470 ( 4.339 3.534 -0.000) 5.596 3.475 ( 3.285 4.318 -0.000) 5.425 3.761 ( -1.001 -4.572 0.000) 4.680 4.377 ( -4.574 14.397 -0.000) 15.106 4.700 ( -8.845 19.144 -0.000) 21.089 5.376 ( -3.414 -11.644 0.000) 12.134 5.548 ( 1.988 -1.481 0.000) 2.479 7.655 ( -14.015 38.596 -0.000) 41.061 7.823 ( -15.221 39.009 -0.000) 41.873 9.405 ( 17.195 -33.667 0.000) 37.804 9.660 ( 10.536 -28.536 0.000) 30.419 10.357 ( 5.064 -1.598 0.000) 5.310 10.411 ( 4.016 0.445 -0.000) 4.040 12.591 ( 1.387 -12.778 0.000) 12.853 12.603 ( 5.469 -11.615 0.000) 12.838 15.996 ( -0.260 4.776 -0.000) 4.783 16.039 ( 2.437 4.667 -0.000) 5.264 17.364 ( -1.418 -3.928 0.000) 4.176 17.382 ( 1.761 -1.068 0.000) 2.059 17.907 ( 0.658 -0.823 0.000) 1.054 18.020 ( -4.851 -0.628 0.000) 4.892 19.001 ( 0.874 4.138 -0.000) 4.229 19.016 ( 0.845 3.325 -0.000) 3.431 27.995 ( -0.151 -1.558 0.000) 1.565 28.228 ( 0.742 3.763 -0.000) 3.836 30.225 ( -7.112 -4.855 0.000) 8.611 30.749 ( -1.543 7.840 -0.000) 7.991 31.215 ( 0.204 -5.637 0.000) 5.641 31.468 ( -0.332 2.868 -0.000) 2.887 31.648 ( 5.832 -3.155 0.000) 6.630 32.244 ( 1.757 7.765 -0.000) 7.962 ======================= Grid point 71 (44/343) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 0.000 9.373) 9.373 0.851 ( 0.000 0.000 8.278) 8.278 1.488 ( 0.000 0.000 2.187) 2.187 1.547 ( 0.000 0.000 19.318) 19.318 1.726 ( -0.000 -0.000 -10.520) 10.520 1.862 ( -0.000 -0.000 -1.549) 1.549 2.681 ( 0.000 0.000 1.370) 1.370 2.735 ( -0.000 -0.000 -1.850) 1.850 2.895 ( 0.000 0.000 2.442) 2.442 2.964 ( -0.000 -0.000 -1.671) 1.671 3.362 ( 0.000 0.000 1.417) 1.417 3.513 ( -0.000 -0.000 -7.314) 7.314 3.610 ( 0.000 0.000 1.171) 1.171 3.635 ( -0.000 -0.000 -0.387) 0.387 4.445 ( 0.000 0.000 16.410) 16.410 4.687 ( 0.000 0.000 2.389) 2.389 4.733 ( -0.000 -0.000 -0.605) 0.605 4.962 ( -0.000 -0.000 -14.932) 14.932 6.811 ( 0.000 0.000 0.536) 0.536 6.836 ( -0.000 -0.000 -1.018) 1.018 10.413 ( 0.000 0.000 1.823) 1.823 10.480 ( -0.000 -0.000 -2.291) 2.291 10.833 ( 0.000 0.000 0.294) 0.294 10.838 ( -0.000 -0.000 -0.056) 0.056 13.579 ( 0.000 0.000 3.105) 3.105 13.679 ( -0.000 -0.000 -2.977) 2.977 15.752 ( 0.000 0.000 3.714) 3.714 15.888 ( -0.000 -0.000 -4.579) 4.579 17.360 ( 0.000 0.000 2.932) 2.932 17.459 ( -0.000 -0.000 -3.125) 3.125 17.704 ( 0.000 0.000 0.708) 0.708 17.721 ( -0.000 -0.000 -0.390) 0.390 18.958 ( 0.000 0.000 2.308) 2.308 19.019 ( -0.000 -0.000 -1.471) 1.471 28.014 ( 0.000 0.000 5.011) 5.011 28.191 ( -0.000 -0.000 -5.704) 5.704 30.077 ( 0.000 0.000 3.433) 3.433 30.221 ( -0.000 -0.000 -5.565) 5.565 31.510 ( 0.000 0.000 10.592) 10.592 31.749 ( 0.000 0.000 0.446) 0.446 31.751 ( 0.000 0.000 0.342) 0.342 31.821 ( -0.000 -0.000 -8.530) 8.530 ======================= Grid point 72 (45/343) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -5.614 7.644 8.137) 12.496 1.022 ( -7.984 8.325 7.319) 13.661 1.422 ( 1.321 -8.726 0.231) 8.829 1.664 ( -4.023 -6.867 -7.098) 10.664 1.757 ( 3.825 33.319 9.246) 34.789 1.949 ( 2.042 26.154 -2.842) 26.388 2.694 ( -0.825 -4.645 0.355) 4.731 2.786 ( -3.151 7.084 -0.317) 7.760 2.946 ( -4.851 0.814 1.332) 5.096 2.969 ( -2.989 0.140 -0.227) 3.001 3.339 ( 2.329 -2.764 2.506) 4.398 3.439 ( 1.907 -3.112 -5.511) 6.610 3.609 ( 1.594 0.214 0.185) 1.619 3.654 ( -0.507 4.336 -0.274) 4.374 4.281 ( 15.527 -1.847 13.647) 20.754 4.529 ( 13.625 -1.774 -9.145) 16.505 4.934 ( -16.757 -4.178 4.529) 17.854 5.056 ( -12.150 -1.456 -6.836) 14.017 6.791 ( 3.642 3.210 0.347) 4.867 6.829 ( 2.066 6.969 -0.328) 7.276 10.393 ( 2.260 -2.654 1.830) 3.937 10.437 ( 2.537 -2.410 -2.126) 4.095 10.815 ( 2.512 -0.196 0.061) 2.520 10.815 ( 2.130 -0.256 0.012) 2.146 13.519 ( 3.964 -11.456 2.930) 12.472 13.587 ( 3.894 -11.011 -2.935) 12.042 15.792 ( 0.027 5.217 3.700) 6.396 15.883 ( -0.018 5.512 -4.223) 6.944 17.396 ( -1.717 0.259 2.725) 3.231 17.454 ( -0.986 -0.296 -2.677) 2.868 17.728 ( -3.080 -4.647 0.093) 5.576 17.734 ( -4.517 -3.788 -0.473) 5.914 18.969 ( 1.770 3.551 1.767) 4.344 19.005 ( 2.195 4.612 -0.435) 5.126 28.043 ( -0.025 0.433 4.898) 4.918 28.155 ( 0.720 0.345 -5.350) 5.410 30.114 ( -1.953 -3.427 2.172) 4.503 30.229 ( -3.388 4.075 -4.134) 6.721 31.394 ( 0.188 -28.375 8.902) 29.739 31.595 ( -0.725 -20.776 -4.917) 21.362 31.897 ( 2.827 31.593 -0.280) 31.720 31.950 ( 1.273 24.499 -2.000) 24.613 ======================= Grid point 73 (46/343) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -5.598 7.719 10.254) 14.002 1.209 ( -5.809 0.602 5.101) 7.754 1.331 ( 1.617 -1.651 -10.495) 10.747 1.665 ( -3.937 -5.537 -0.715) 6.832 2.015 ( 2.671 40.369 2.092) 40.512 2.052 ( 4.727 24.013 -2.340) 24.585 2.643 ( 1.363 -7.583 -0.421) 7.716 2.841 ( 1.380 3.981 0.238) 4.220 3.041 ( -6.256 -0.511 0.798) 6.327 3.180 ( -9.407 12.592 0.640) 15.731 3.291 ( 0.707 -0.879 1.382) 1.784 3.362 ( 2.107 -3.142 -2.349) 4.453 3.574 ( 2.314 2.103 -0.126) 3.129 3.698 ( -0.900 5.846 0.037) 5.915 4.106 ( 10.116 -1.390 11.785) 15.594 4.229 ( 11.074 -1.504 -11.599) 16.107 5.187 ( -12.452 -5.346 3.036) 13.887 5.223 ( -11.730 -3.388 -2.587) 12.481 6.780 ( 1.753 9.894 0.277) 10.052 6.875 ( 1.037 15.250 -0.152) 15.286 10.311 ( 4.505 -6.251 1.301) 7.814 10.340 ( 4.120 -5.126 -1.381) 6.720 10.746 ( 4.711 -1.360 0.094) 4.904 10.751 ( 4.471 -1.117 -0.198) 4.613 13.311 ( 7.302 -20.711 1.155) 21.991 13.377 ( 6.333 -18.022 -1.215) 19.141 15.849 ( 0.393 7.349 1.639) 7.539 15.927 ( -0.217 10.165 -1.821) 10.329 17.423 ( -0.853 -4.182 1.126) 4.414 17.455 ( -1.309 -1.448 -0.905) 2.152 17.768 ( -5.386 -6.035 0.611) 8.112 17.802 ( -5.674 -1.893 -1.086) 6.080 18.963 ( 2.716 5.655 0.497) 6.293 19.008 ( 2.696 7.069 0.561) 7.586 28.061 ( 0.781 -0.391 2.449) 2.600 28.131 ( -0.072 2.299 -2.618) 3.485 30.108 ( -2.447 -8.221 -0.109) 8.578 30.351 ( -5.587 8.448 -1.158) 10.195 31.270 ( -2.173 -20.939 4.471) 21.522 31.476 ( -2.941 -15.870 -2.910) 16.400 32.024 ( 6.935 19.160 0.109) 20.377 32.051 ( 4.142 27.941 -0.947) 28.262 ======================= Grid point 74 (47/343) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 1.487 -2.272 0.000) 2.715 1.243 ( 3.058 2.593 -0.000) 4.009 1.424 ( -10.914 6.083 -0.000) 12.495 1.703 ( -2.245 -1.138 0.000) 2.517 2.060 ( 7.158 15.044 -0.000) 16.660 2.243 ( 1.225 25.954 -0.000) 25.983 2.553 ( 1.443 -8.539 0.000) 8.660 2.825 ( 1.854 0.532 -0.000) 1.929 3.099 ( -1.459 -7.487 0.000) 7.628 3.221 ( 1.843 -0.669 0.000) 1.961 3.283 ( 2.664 -4.501 0.000) 5.230 3.442 ( -2.192 12.050 -0.000) 12.248 3.583 ( 2.240 7.848 -0.000) 8.161 3.801 ( -2.389 11.510 -0.000) 11.755 4.001 ( 2.583 -0.865 0.000) 2.724 4.119 ( -1.484 11.438 -0.000) 11.534 5.314 ( -8.143 -8.351 0.000) 11.664 5.408 ( -9.938 -1.178 0.000) 10.007 6.900 ( -3.701 19.799 -0.000) 20.142 7.027 ( -3.097 23.960 -0.000) 24.159 10.150 ( 7.043 -12.259 0.000) 14.139 10.201 ( 5.413 -9.990 0.000) 11.363 10.629 ( 6.627 -2.948 0.000) 7.253 10.640 ( 6.562 -1.976 0.000) 6.853 13.018 ( 7.286 -23.122 0.000) 24.243 13.108 ( 7.705 -20.843 0.000) 22.221 15.901 ( 0.305 8.136 -0.000) 8.141 15.994 ( 0.840 10.404 -0.000) 10.438 17.397 ( -0.917 -6.646 0.000) 6.709 17.454 ( -0.155 -2.921 0.000) 2.925 17.838 ( -6.412 -4.254 0.000) 7.695 17.877 ( -3.479 -0.075 0.000) 3.480 18.966 ( 2.089 6.848 -0.000) 7.159 19.008 ( 2.716 6.346 -0.000) 6.903 28.039 ( 1.240 -1.165 0.000) 1.702 28.160 ( -0.768 4.062 -0.000) 4.134 30.106 ( -4.558 -8.898 0.000) 9.997 30.507 ( -4.898 9.209 -0.000) 10.431 31.218 ( -4.639 -14.537 0.000) 15.259 31.437 ( -3.093 -8.743 0.000) 9.274 31.966 ( 11.152 11.364 -0.000) 15.922 32.152 ( 4.184 21.647 -0.000) 22.048 ======================= Grid point 86 (48/343) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 0.000 4.944) 4.944 0.903 ( 0.000 0.000 1.310) 1.310 1.533 ( 0.000 0.000 6.407) 6.407 1.619 ( -0.000 -0.000 -9.555) 9.555 1.717 ( 0.000 0.000 12.939) 12.939 1.820 ( -0.000 -0.000 -6.650) 6.650 2.697 ( 0.000 0.000 1.663) 1.663 2.716 ( -0.000 -0.000 -1.830) 1.830 2.920 ( 0.000 0.000 2.373) 2.373 2.944 ( -0.000 -0.000 -2.105) 2.105 3.389 ( 0.000 0.000 3.780) 3.780 3.441 ( -0.000 -0.000 -6.028) 6.028 3.621 ( 0.000 0.000 0.971) 0.971 3.630 ( -0.000 -0.000 -0.685) 0.685 4.621 ( 0.000 0.000 16.852) 16.852 4.709 ( 0.000 0.000 1.800) 1.800 4.724 ( -0.000 -0.000 -1.156) 1.156 4.796 ( -0.000 -0.000 -16.324) 16.324 6.818 ( 0.000 0.000 0.718) 0.718 6.826 ( -0.000 -0.000 -0.893) 0.893 10.433 ( 0.000 0.000 2.094) 2.094 10.456 ( -0.000 -0.000 -2.263) 2.263 10.836 ( 0.000 0.000 0.224) 0.224 10.837 ( -0.000 -0.000 -0.138) 0.138 13.612 ( 0.000 0.000 3.248) 3.248 13.647 ( -0.000 -0.000 -3.202) 3.202 15.793 ( 0.000 0.000 4.212) 4.212 15.840 ( -0.000 -0.000 -4.522) 4.522 17.392 ( 0.000 0.000 3.131) 3.131 17.425 ( -0.000 -0.000 -3.191) 3.191 17.711 ( 0.000 0.000 0.581) 0.581 17.716 ( -0.000 -0.000 -0.476) 0.476 18.981 ( 0.000 0.000 2.121) 2.121 19.002 ( -0.000 -0.000 -1.821) 1.821 28.070 ( 0.000 0.000 5.554) 5.554 28.130 ( -0.000 -0.000 -5.803) 5.803 30.118 ( 0.000 0.000 4.195) 4.195 30.166 ( -0.000 -0.000 -4.929) 4.929 31.620 ( 0.000 0.000 10.288) 10.288 31.725 ( -0.000 -0.000 -9.580) 9.580 31.753 ( 0.000 0.000 0.211) 0.211 31.753 ( 0.000 0.000 0.073) 0.073 ======================= Grid point 87 (49/343) ======================= q-point: (-0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -6.491 6.153 -0.000) 8.944 1.061 ( -8.449 12.625 -0.000) 15.191 1.428 ( 4.631 -12.446 0.000) 13.280 1.619 ( -5.968 -5.386 0.000) 8.039 1.814 ( 6.720 31.974 -0.000) 32.672 1.928 ( 0.636 25.993 -0.000) 26.000 2.696 ( -0.500 -5.115 0.000) 5.139 2.784 ( -3.485 7.907 -0.000) 8.641 2.955 ( -3.200 -0.618 0.000) 3.259 2.967 ( -5.013 1.483 -0.000) 5.228 3.364 ( 2.644 -4.369 0.000) 5.107 3.397 ( 1.366 -0.827 0.000) 1.597 3.611 ( 1.522 -0.535 0.000) 1.614 3.653 ( -0.588 4.327 -0.000) 4.367 4.404 ( 14.931 -3.438 0.000) 15.322 4.430 ( 15.753 -0.308 -0.000) 15.756 4.979 ( -15.637 -3.815 0.000) 16.095 4.999 ( -14.547 -1.407 0.000) 14.615 6.793 ( 3.556 2.811 -0.000) 4.533 6.827 ( 2.043 7.434 -0.000) 7.709 10.411 ( 2.541 -2.893 0.000) 3.850 10.417 ( 2.234 -2.169 0.000) 3.114 10.815 ( 2.318 -0.226 0.000) 2.329 10.815 ( 2.382 -0.226 0.000) 2.393 13.544 ( 4.437 -12.415 0.000) 13.184 13.562 ( 3.433 -10.121 0.000) 10.688 15.824 ( 0.557 3.836 -0.000) 3.876 15.848 ( -0.586 6.898 -0.000) 6.923 17.425 ( -1.587 0.045 0.000) 1.587 17.427 ( -1.266 -0.158 0.000) 1.275 17.729 ( -3.521 -4.670 0.000) 5.848 17.730 ( -3.820 -3.811 0.000) 5.396 18.980 ( 2.256 2.937 -0.000) 3.703 19.000 ( 1.423 5.343 -0.000) 5.529 28.091 ( 0.730 -0.500 0.000) 0.885 28.104 ( -0.054 1.281 -0.000) 1.282 30.129 ( -0.796 -4.931 0.000) 4.995 30.203 ( -4.351 5.497 -0.000) 7.011 31.454 ( 1.870 -27.101 0.000) 27.166 31.557 ( -2.610 -23.423 0.000) 23.568 31.896 ( 2.796 30.779 -0.000) 30.906 31.939 ( 1.469 26.320 -0.000) 26.361 ======================= Grid point 176 (50/343) ======================= q-point: ( 0.08 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( 0.000 15.616 -0.000) 15.616 0.331 ( 0.000 23.267 -0.000) 23.267 1.332 ( 0.000 92.343 -0.000) 92.343 1.540 ( 0.000 2.214 -0.000) 2.214 1.751 ( -0.000 -1.383 0.000) 1.383 2.436 ( 0.000 46.971 -0.000) 46.971 2.566 ( -0.000 -11.763 0.000) 11.763 2.794 ( -0.000 -3.336 0.000) 3.336 2.799 ( 0.000 1.428 -0.000) 1.428 2.976 ( -0.000 -2.144 0.000) 2.144 3.253 ( -0.000 -2.643 0.000) 2.643 3.346 ( -0.000 -5.384 0.000) 5.384 3.490 ( -0.000 -8.187 0.000) 8.187 3.695 ( 0.000 5.653 -0.000) 5.653 3.847 ( 0.000 8.977 -0.000) 8.977 3.932 ( 0.000 1.428 -0.000) 1.428 4.733 ( -0.000 -1.435 0.000) 1.435 5.380 ( -0.000 -1.838 0.000) 1.838 6.783 ( 0.000 9.401 -0.000) 9.401 6.878 ( 0.000 10.917 -0.000) 10.917 10.326 ( -0.000 -5.309 0.000) 5.309 10.516 ( -0.000 -5.686 0.000) 5.686 10.820 ( 0.000 0.005 -0.000) 0.005 10.838 ( 0.000 0.144 -0.000) 0.144 13.488 ( -0.000 -26.274 0.000) 26.274 13.607 ( -0.000 -21.868 0.000) 21.868 15.765 ( 0.000 14.752 -0.000) 14.752 16.101 ( 0.000 7.872 -0.000) 7.872 17.577 ( 0.000 0.838 -0.000) 0.838 17.602 ( -0.000 -7.966 0.000) 7.966 17.648 ( -0.000 -10.564 0.000) 10.564 17.662 ( -0.000 -0.575 0.000) 0.575 18.664 ( 0.000 10.293 -0.000) 10.293 18.927 ( 0.000 7.122 -0.000) 7.122 27.885 ( 0.000 1.701 -0.000) 1.701 28.370 ( -0.000 -0.431 0.000) 0.431 29.981 ( -0.000 -1.251 0.000) 1.251 30.158 ( -0.000 -7.612 0.000) 7.612 30.550 ( 0.000 9.298 -0.000) 9.298 31.715 ( -0.000 -1.575 0.000) 1.575 32.107 ( 0.000 6.195 -0.000) 6.195 33.901 ( -0.000 -2.034 0.000) 2.034 ======================= Grid point 177 (51/343) ======================= q-point: ( 0.15 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -16.086 11.928 -0.419) 20.030 0.659 ( -13.810 18.324 4.471) 23.376 1.589 ( -3.435 3.139 -1.006) 4.761 1.641 ( 7.000 10.724 1.466) 12.891 2.082 ( -7.195 63.101 1.857) 63.537 2.549 ( 7.866 16.713 -4.322) 18.971 2.653 ( -7.236 -6.737 1.059) 9.943 2.804 ( 1.074 2.178 0.331) 2.450 2.913 ( 3.570 -3.506 0.432) 5.023 3.066 ( -14.123 29.551 2.598) 32.856 3.269 ( -1.225 -3.941 -2.045) 4.606 3.341 ( -1.945 -4.532 10.902) 11.966 3.421 ( 0.984 -8.041 0.023) 8.101 3.688 ( 2.864 4.483 0.240) 5.325 3.885 ( 3.034 10.797 -0.935) 11.254 4.438 ( -31.918 -20.325 2.807) 37.944 4.711 ( 0.074 -3.114 -0.629) 3.177 5.342 ( 2.008 -2.396 -1.316) 3.392 6.892 ( -2.521 14.068 0.592) 14.304 6.944 ( 3.224 16.712 0.437) 17.026 10.262 ( 2.346 -9.326 0.090) 9.617 10.438 ( 2.971 -8.170 -0.163) 8.695 10.804 ( 1.915 -0.708 0.028) 2.042 10.816 ( 2.419 -0.162 -0.117) 2.427 13.176 ( 6.514 -29.166 -0.495) 29.888 13.388 ( 3.356 -30.010 -0.367) 30.199 15.861 ( 1.482 16.864 -0.177) 16.930 16.153 ( 1.256 9.762 -0.587) 9.860 17.361 ( 5.876 -0.799 -0.276) 5.937 17.534 ( 2.232 -4.195 -0.447) 4.773 17.621 ( -3.339 -6.677 -0.306) 7.472 17.839 ( -9.281 -6.320 -4.140) 11.968 18.777 ( -0.414 10.884 6.937) 12.913 18.977 ( 1.124 9.024 0.433) 9.104 27.911 ( -1.098 2.371 0.536) 2.667 28.344 ( 2.147 -0.584 -0.724) 2.340 30.104 ( -3.851 -7.532 -4.672) 9.663 30.272 ( -19.922 -19.121 8.649) 28.936 30.625 ( -0.951 10.128 -1.780) 10.327 31.675 ( 2.314 -2.404 -1.563) 3.685 32.136 ( 3.038 8.936 0.925) 9.484 33.132 ( 47.114 39.332 -10.985) 62.349 ======================= Grid point 178 (52/343) ======================= q-point: ( 0.23 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -14.421 11.209 -1.892) 18.363 1.046 ( -12.260 16.957 4.205) 21.343 1.573 ( 4.914 0.318 1.384) 5.115 1.681 ( -4.904 1.670 -1.240) 5.327 2.374 ( 3.545 12.735 -1.602) 13.316 2.512 ( 8.520 16.173 1.384) 18.333 2.765 ( 0.716 -0.656 -3.360) 3.497 2.793 ( 3.378 0.123 -0.113) 3.383 2.920 ( -6.634 16.701 2.448) 18.136 3.257 ( -2.866 -0.668 -5.673) 6.391 3.304 ( 3.072 -4.828 0.350) 5.733 3.456 ( -5.313 3.305 11.968) 13.505 3.563 ( -8.974 27.293 -1.075) 28.751 3.669 ( 1.857 5.298 0.382) 5.627 3.920 ( 2.071 19.436 -0.874) 19.565 4.590 ( 0.723 -8.572 -1.258) 8.694 4.847 ( -18.543 -7.155 1.720) 19.950 5.275 ( 2.553 -2.272 -0.518) 3.457 7.018 ( 2.481 23.693 -0.435) 23.826 7.106 ( -6.299 21.135 0.980) 22.076 10.101 ( 6.534 -14.879 0.428) 16.256 10.297 ( 4.976 -11.494 -0.474) 12.534 10.733 ( 5.085 -2.075 -0.081) 5.493 10.749 ( 4.555 -0.985 -0.295) 4.669 12.874 ( 2.974 -31.436 0.220) 31.577 13.079 ( 4.840 -34.107 -0.582) 34.454 15.945 ( 2.113 15.289 0.150) 15.435 16.184 ( 2.600 9.497 -0.808) 9.879 17.298 ( 0.084 -5.013 0.365) 5.027 17.473 ( 1.358 -2.804 -0.458) 3.150 17.644 ( -4.378 -6.184 0.116) 7.578 17.924 ( -6.373 -2.810 -2.553) 7.418 18.891 ( -0.322 10.436 4.505) 11.372 19.017 ( 2.111 9.552 0.670) 9.806 27.960 ( -1.980 2.624 0.858) 3.397 28.285 ( 3.427 -0.378 -0.980) 3.584 30.104 ( -4.463 -6.729 -3.067) 8.637 30.481 ( -14.422 -17.377 6.502) 23.499 30.704 ( -1.306 9.919 -3.120) 10.480 31.597 ( 2.514 -3.041 -2.591) 4.720 32.131 ( 6.404 10.398 2.158) 12.401 32.741 ( 23.520 27.875 -4.793) 36.785 ======================= Grid point 179 (53/343) ======================= q-point: ( 0.31 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -8.179 9.740 -2.185) 12.905 1.363 ( -7.758 16.245 1.835) 18.096 1.501 ( 2.778 -1.171 1.501) 3.368 1.750 ( -2.790 -1.042 -1.602) 3.382 2.327 ( 6.452 5.025 -0.874) 8.224 2.481 ( 7.898 13.540 0.490) 15.682 2.701 ( 0.212 -0.585 -2.930) 2.995 2.744 ( 1.596 -3.393 0.899) 3.856 3.066 ( -1.226 4.004 -0.233) 4.194 3.194 ( 3.646 -6.010 -0.744) 7.069 3.267 ( -0.971 -1.308 -6.350) 6.556 3.543 ( 2.966 -1.875 6.663) 7.530 3.722 ( 1.496 9.695 -2.230) 10.060 3.825 ( -4.447 16.021 2.570) 16.824 4.136 ( -4.043 28.039 -2.414) 28.431 4.539 ( -0.064 8.471 -0.451) 8.483 5.092 ( -11.374 -6.490 0.427) 13.102 5.245 ( -0.856 0.345 3.998) 4.103 7.213 ( -3.044 31.876 0.748) 32.030 7.444 ( -11.347 29.386 -0.224) 31.501 9.815 ( 10.999 -23.409 1.022) 25.885 10.081 ( 7.571 -18.384 -1.015) 19.908 10.599 ( 7.715 -2.235 -0.060) 8.032 10.644 ( 5.882 -1.438 -0.532) 6.078 12.637 ( -0.236 -27.995 -0.150) 27.996 12.756 ( 3.599 -32.892 -0.351) 33.091 16.002 ( 2.639 12.081 0.383) 12.371 16.185 ( 3.610 7.408 -0.658) 8.267 17.275 ( -1.483 -6.004 0.516) 6.206 17.441 ( 1.284 0.529 -0.321) 1.425 17.690 ( -5.395 -6.116 1.037) 8.221 17.998 ( -5.004 -1.457 -2.181) 5.650 18.978 ( 0.326 8.636 2.683) 9.049 19.044 ( 2.661 8.849 0.679) 9.265 28.020 ( -2.199 2.112 0.341) 3.068 28.217 ( 3.530 0.420 -0.133) 3.558 30.135 ( -6.056 -5.660 -3.958) 9.186 30.624 ( -10.075 -12.322 6.695) 17.267 30.780 ( -1.533 8.484 -2.608) 9.007 31.529 ( 1.084 -3.447 -1.818) 4.045 32.072 ( 9.602 9.977 1.306) 13.909 32.561 ( 13.756 17.187 -2.575) 22.164 ======================= Grid point 180 (54/343) ======================= q-point: ( 0.38 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -2.060 7.134 -2.345) 7.787 1.430 ( 2.949 3.667 0.345) 4.719 1.613 ( -4.930 8.703 0.350) 10.009 1.742 ( 0.441 -2.343 -1.345) 2.737 2.235 ( 9.346 11.004 0.824) 14.461 2.417 ( 7.587 8.491 -0.785) 11.413 2.698 ( 0.302 -4.463 0.897) 4.562 2.747 ( -3.110 6.382 -4.277) 8.289 3.034 ( 2.622 -4.245 -4.713) 6.864 3.135 ( 1.542 1.427 2.347) 3.150 3.211 ( 1.001 -3.752 -4.167) 5.696 3.479 ( 3.752 -5.209 2.957) 7.068 3.723 ( 4.573 6.605 -3.151) 8.629 3.856 ( 0.729 -3.976 -1.531) 4.323 4.366 ( -2.926 18.734 -0.451) 18.967 4.748 ( -4.754 27.330 2.745) 27.876 5.140 ( -2.244 -5.161 -1.080) 5.731 5.360 ( -4.857 0.587 6.637) 8.246 7.598 ( -11.013 39.078 1.731) 40.637 7.909 ( -14.678 35.513 -1.031) 38.441 9.389 ( 15.068 -32.876 1.460) 36.195 9.737 ( 11.909 -28.130 -1.735) 30.596 10.451 ( 7.371 -0.531 0.109) 7.391 10.526 ( 5.683 -1.177 -0.620) 5.837 12.479 ( -2.106 -23.819 -1.133) 23.938 12.514 ( -0.663 -24.388 0.415) 24.401 16.028 ( 2.671 8.167 0.509) 8.607 16.157 ( 3.975 4.558 -0.443) 6.064 17.271 ( -1.948 -4.499 0.753) 4.960 17.426 ( 1.644 2.580 -0.195) 3.066 17.754 ( -5.237 -4.778 1.576) 7.262 18.052 ( -3.585 -1.566 -2.337) 4.557 19.029 ( 1.093 6.223 1.415) 6.475 19.056 ( 2.797 7.223 0.585) 7.768 28.052 ( -0.369 0.407 -1.959) 2.035 28.183 ( 1.465 1.931 2.504) 3.485 30.194 ( -6.981 -4.366 -4.721) 9.492 30.744 ( -7.372 -7.516 7.144) 12.723 30.848 ( -1.051 6.590 -1.086) 6.761 31.490 ( -0.135 -3.915 -0.166) 3.921 31.951 ( 10.936 8.458 -1.601) 13.918 32.448 ( 8.959 9.798 -1.387) 13.348 ======================= Grid point 181 (55/343) ======================= q-point: ( 0.46 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.962 4.053 -1.815) 4.543 1.427 ( 2.021 3.847 1.643) 4.645 1.617 ( 2.835 0.674 -4.617) 5.459 1.761 ( -0.271 0.876 1.067) 1.407 2.205 ( 6.960 21.159 1.897) 22.354 2.332 ( 7.384 6.526 -1.728) 10.005 2.684 ( -1.060 -2.438 1.461) 3.033 2.781 ( 1.103 3.037 -7.498) 8.164 2.966 ( -1.271 -0.784 -3.441) 3.751 3.101 ( 3.930 0.737 1.220) 4.181 3.186 ( -0.992 -1.523 0.306) 1.843 3.381 ( 3.885 -4.613 1.157) 6.141 3.606 ( 5.617 -3.078 -1.597) 6.601 3.878 ( -2.737 3.743 -1.963) 5.035 4.475 ( -0.204 3.153 2.681) 4.144 5.006 ( 0.376 23.158 0.685) 23.171 5.139 ( -2.824 -2.095 -1.485) 3.817 5.453 ( -1.914 1.047 5.347) 5.775 8.149 ( -16.113 42.196 1.977) 45.211 8.403 ( -12.008 29.273 -0.837) 31.651 8.844 ( 17.450 -39.109 1.211) 42.843 9.282 ( 12.030 -28.539 -2.086) 31.041 10.342 ( 4.889 0.410 0.033) 4.907 10.429 ( 4.026 -0.613 -0.318) 4.085 12.367 ( -4.094 -18.580 0.103) 19.026 12.438 ( -4.612 -14.014 -0.850) 14.778 16.031 ( 2.177 4.220 0.569) 4.782 16.108 ( 3.716 1.748 -0.415) 4.127 17.288 ( -1.970 -1.909 1.024) 2.928 17.415 ( 1.849 3.347 -0.177) 3.827 17.817 ( -3.848 -2.865 1.371) 4.990 18.079 ( -2.379 -2.144 -2.107) 3.834 19.045 ( 1.603 3.778 0.668) 4.158 19.052 ( 2.768 4.774 0.391) 5.532 28.030 ( 0.922 -0.229 -2.362) 2.546 28.204 ( 0.092 1.737 2.925) 3.403 30.266 ( -6.493 -2.673 -4.161) 8.162 30.847 ( -4.146 -6.142 8.563) 11.324 30.900 ( -0.905 6.929 -1.543) 7.156 31.469 ( -0.603 -4.924 1.201) 5.104 31.808 ( 9.228 7.581 -4.211) 12.663 32.360 ( 6.014 4.141 -0.793) 7.345 ======================= Grid point 182 (56/343) ======================= q-point: ( 0.54 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 2.384 0.821 0.236) 2.532 1.383 ( 2.500 -3.126 -0.419) 4.025 1.609 ( -0.481 7.194 -1.272) 7.322 1.755 ( 2.316 5.364 1.719) 6.090 2.202 ( 7.978 5.261 -2.890) 9.984 2.302 ( 3.984 20.792 1.071) 21.197 2.707 ( 1.443 3.131 0.049) 3.448 2.740 ( -2.781 -0.723 -3.021) 4.169 2.997 ( -2.084 1.963 -2.146) 3.578 3.047 ( 3.974 0.519 2.906) 4.950 3.187 ( -0.375 -2.149 -0.463) 2.230 3.325 ( 0.364 -0.913 1.979) 2.210 3.510 ( 1.684 -4.636 0.612) 4.970 3.942 ( -0.704 7.256 -1.648) 7.474 4.457 ( 2.221 -8.179 4.636) 9.660 4.984 ( 5.693 -3.284 -3.736) 7.560 5.230 ( 0.447 12.368 0.568) 12.390 5.522 ( -1.777 5.142 1.004) 5.533 8.194 ( 18.714 -40.488 -1.099) 44.617 8.424 ( 13.280 -28.127 1.247) 31.130 8.782 ( -17.394 38.553 1.901) 42.338 9.233 ( -11.782 23.509 -1.774) 26.356 10.283 ( 1.818 0.166 -0.392) 1.867 10.378 ( 1.338 0.016 0.378) 1.391 12.373 ( -7.639 -9.509 0.537) 12.209 12.454 ( -6.255 -7.066 -1.110) 9.502 16.015 ( 2.121 0.357 0.206) 2.160 16.053 ( 2.337 -0.449 -0.194) 2.387 17.321 ( -1.716 0.473 0.928) 2.007 17.407 ( 1.707 3.783 -0.233) 4.157 17.860 ( -2.063 -1.271 0.412) 2.458 18.089 ( -1.472 -2.413 -0.829) 2.946 19.027 ( 2.700 1.663 0.028) 3.171 19.037 ( 1.876 1.647 0.270) 2.511 28.007 ( 0.156 -0.171 -1.515) 1.533 28.218 ( 0.842 0.432 1.764) 2.002 30.335 ( -4.063 -0.347 -1.971) 4.529 30.861 ( 2.319 -3.796 6.201) 7.631 30.974 ( -2.708 4.311 -1.842) 5.414 31.460 ( -2.394 -5.905 1.733) 6.604 31.707 ( 5.780 8.142 -3.903) 10.721 32.284 ( 3.602 -0.828 -0.410) 3.718 ======================= Grid point 183 (57/343) ======================= q-point: (-0.38 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 1.070 -2.207 1.572) 2.913 1.331 ( 1.294 -2.699 -0.213) 3.001 1.672 ( 0.635 7.409 2.840) 7.960 1.801 ( -0.723 7.156 0.946) 7.255 2.071 ( 9.136 7.816 -2.393) 12.259 2.370 ( 3.204 13.031 0.345) 13.424 2.709 ( -0.759 1.414 0.554) 1.698 2.803 ( -0.253 5.275 0.577) 5.313 3.006 ( 1.148 0.612 2.659) 2.960 3.040 ( -1.710 2.354 -0.297) 2.924 3.186 ( -1.960 -1.272 -1.113) 2.589 3.370 ( -3.154 1.296 3.474) 4.868 3.483 ( -1.214 -4.550 2.065) 5.142 3.984 ( 1.726 8.513 -0.132) 8.687 4.327 ( 5.718 -15.379 4.089) 16.909 4.771 ( 9.968 -11.770 -2.569) 15.636 5.268 ( 1.992 8.209 -3.446) 9.124 5.583 ( 0.402 7.382 -1.928) 7.640 7.569 ( 17.365 -39.374 -2.400) 43.100 7.910 ( 15.787 -36.030 2.332) 39.406 9.343 ( -15.161 33.138 0.024) 36.442 9.670 ( -13.576 26.932 0.324) 30.162 10.280 ( -1.946 0.150 -0.741) 2.087 10.389 ( -1.827 0.787 1.043) 2.246 12.502 ( -10.468 -1.240 0.347) 10.547 12.552 ( -8.234 0.735 -0.598) 8.288 15.957 ( 2.701 -3.058 -0.778) 4.154 16.026 ( 0.235 -2.142 0.600) 2.237 17.359 ( -1.320 1.322 0.040) 1.869 17.409 ( 1.273 4.943 -0.071) 5.105 17.877 ( -0.581 -0.091 -0.592) 0.834 18.089 ( -0.396 -2.218 0.895) 2.425 18.982 ( 2.411 -1.245 -0.418) 2.745 19.006 ( 2.108 -0.440 -0.131) 2.157 28.010 ( -1.130 0.015 -0.480) 1.227 28.197 ( 1.939 -0.916 0.376) 2.177 30.378 ( -0.064 2.619 0.995) 2.802 30.792 ( 4.318 -5.546 3.599) 7.897 31.016 ( -0.908 3.922 -5.045) 6.454 31.506 ( -5.862 -5.336 2.710) 8.377 31.672 ( 3.397 8.761 -1.932) 9.593 32.215 ( 1.573 -5.563 0.147) 5.783 ======================= Grid point 184 (58/343) ======================= q-point: (-0.31 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 1.958 -0.081 2.498) 3.175 1.301 ( -1.751 -3.080 1.139) 3.721 1.670 ( 6.945 4.887 -0.382) 8.500 1.847 ( 1.987 7.146 1.813) 7.635 2.006 ( 2.058 2.395 0.798) 3.257 2.370 ( 4.883 6.416 0.974) 8.121 2.732 ( 1.964 1.518 3.207) 4.056 2.803 ( 0.826 1.942 -0.476) 2.163 3.076 ( -4.901 1.836 -0.380) 5.248 3.083 ( -0.985 5.302 0.507) 5.416 3.237 ( -2.778 4.204 0.447) 5.058 3.453 ( -3.884 -3.505 1.016) 5.330 3.511 ( -1.933 -1.864 6.609) 7.134 4.005 ( 3.161 7.425 -1.524) 8.213 4.085 ( 9.061 -19.015 5.467) 21.761 4.469 ( 10.381 -14.628 -1.444) 17.995 5.260 ( 0.680 4.506 -6.239) 7.726 5.572 ( 4.979 5.817 -3.037) 8.237 7.035 ( 11.898 -31.388 -2.905) 33.693 7.435 ( 12.743 -28.401 2.630) 31.239 9.768 ( -10.895 22.154 -1.220) 24.718 10.030 ( -8.287 15.752 1.283) 17.845 10.365 ( -7.129 3.237 -0.368) 7.838 10.463 ( -4.592 1.783 1.275) 5.088 12.700 ( -10.513 4.690 -0.517) 11.523 12.772 ( -12.221 8.949 0.620) 15.160 15.878 ( 2.315 -5.055 -1.066) 5.661 16.011 ( -0.532 -3.924 0.846) 4.050 17.385 ( -1.192 0.862 -1.112) 1.844 17.431 ( 1.054 6.116 0.048) 6.206 17.876 ( 0.693 1.108 -0.842) 1.554 18.078 ( 0.951 -1.753 1.910) 2.761 18.924 ( 1.657 -3.455 -0.754) 3.905 18.954 ( 2.435 -2.247 -0.862) 3.424 28.041 ( -1.844 0.576 0.729) 2.064 28.146 ( 2.141 -2.068 -0.925) 3.117 30.383 ( 3.925 5.500 2.970) 7.382 30.687 ( 3.227 -7.691 1.804) 8.534 31.021 ( 0.110 4.816 -6.643) 8.206 31.592 ( -3.463 -1.028 3.168) 4.805 31.694 ( -1.450 5.464 -1.090) 5.757 32.147 ( 0.224 -10.417 0.882) 10.457 ======================= Grid point 185 (59/343) ======================= q-point: (-0.23 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 8.153 -1.066 2.999) 8.752 1.329 ( 2.470 -0.989 -0.883) 2.803 1.543 ( 6.918 7.288 -1.618) 10.178 1.848 ( 4.423 3.666 2.608) 6.309 1.962 ( 0.692 -14.648 0.906) 14.693 2.309 ( 5.936 1.824 2.653) 6.753 2.716 ( 0.758 1.418 1.940) 2.519 2.816 ( 0.210 1.731 0.254) 1.762 3.090 ( 1.718 3.254 -1.404) 3.938 3.223 ( -6.585 5.407 -0.593) 8.541 3.317 ( 0.866 7.237 2.821) 7.815 3.472 ( -2.708 -7.050 1.165) 7.641 3.524 ( 1.475 -5.247 3.425) 6.437 3.758 ( 9.442 -15.727 -4.114) 18.800 3.936 ( 12.360 -1.823 3.149) 12.884 4.348 ( -5.992 -3.105 4.649) 8.195 5.253 ( -1.034 2.216 -5.893) 6.380 5.459 ( 9.225 3.549 -3.472) 10.476 6.696 ( 3.912 -19.745 -2.438) 20.276 7.093 ( 8.939 -17.252 2.059) 19.539 10.041 ( -7.659 11.523 -1.047) 13.875 10.214 ( -5.145 5.232 0.619) 7.364 10.549 ( -8.346 5.307 0.502) 9.903 10.577 ( -5.647 1.978 1.078) 6.080 12.939 ( -10.963 8.975 -0.635) 14.183 13.084 ( -13.317 11.771 0.921) 17.798 15.794 ( 1.975 -5.861 -1.117) 6.285 15.998 ( -0.882 -4.570 1.098) 4.782 17.410 ( -1.876 0.742 -1.423) 2.468 17.446 ( 1.923 4.954 -0.433) 5.332 17.861 ( 1.909 2.264 -0.512) 3.006 18.052 ( 2.119 -0.832 2.118) 3.109 18.870 ( 1.136 -3.983 -1.052) 4.273 18.880 ( 2.186 -3.738 -1.914) 4.734 28.046 ( 3.115 0.005 0.152) 3.118 28.131 ( -3.607 -1.354 -0.142) 3.856 30.352 ( 5.754 6.416 2.618) 9.007 30.599 ( 1.736 -7.795 2.711) 8.433 31.019 ( 0.512 6.939 -7.088) 9.932 31.640 ( 1.483 6.895 2.709) 7.555 31.782 ( -6.516 -1.608 -0.737) 6.752 32.062 ( -0.301 -15.741 1.451) 15.811 ======================= Grid point 186 (60/343) ======================= q-point: (-0.15 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 13.981 -1.409 3.464) 14.472 1.107 ( 17.030 -0.352 -5.298) 17.838 1.541 ( 4.801 2.963 -2.210) 6.059 1.739 ( 5.595 -13.403 2.338) 14.711 1.793 ( 4.228 -7.542 -0.593) 8.667 2.223 ( 5.340 -2.349 3.260) 6.683 2.760 ( -2.953 1.613 1.800) 3.816 2.811 ( 1.090 0.326 0.092) 1.141 3.029 ( 6.730 3.178 -1.620) 7.617 3.306 ( 4.237 0.591 3.870) 5.769 3.312 ( 6.996 -2.026 0.564) 7.305 3.438 ( -1.974 1.829 0.226) 2.701 3.511 ( -4.055 -4.038 -0.005) 5.723 3.569 ( -2.050 -7.618 -3.102) 8.477 3.732 ( 9.204 0.942 -1.859) 9.437 4.533 ( -8.789 0.593 6.524) 10.962 5.268 ( -0.697 1.665 -2.996) 3.498 5.284 ( 8.955 2.195 -3.205) 9.761 6.585 ( -3.326 -8.576 -1.425) 9.308 6.887 ( 5.719 -7.256 1.065) 9.300 10.210 ( -5.835 4.483 -0.445) 7.371 10.332 ( -5.490 1.860 0.405) 5.811 10.688 ( -4.908 0.942 0.813) 5.063 10.704 ( -5.510 2.293 0.493) 5.988 13.187 ( -9.927 7.615 -0.747) 12.534 13.391 ( -11.871 8.541 0.959) 14.656 15.718 ( 1.670 -4.531 -0.989) 4.930 15.993 ( -1.096 -3.314 1.298) 3.725 17.420 ( 3.365 2.178 -0.723) 4.073 17.449 ( -2.789 0.355 -1.117) 3.025 17.835 ( 2.753 2.412 -0.138) 3.662 18.017 ( 2.790 0.272 2.182) 3.553 18.786 ( 2.971 -2.984 -3.674) 5.588 18.843 ( -0.745 -3.214 -1.015) 3.452 27.979 ( 3.342 -0.559 -0.842) 3.491 28.207 ( -4.587 -0.157 1.127) 4.726 30.306 ( 4.919 4.377 1.604) 6.777 30.541 ( 1.873 -5.100 4.071) 6.789 31.036 ( -0.243 9.429 -6.691) 11.564 31.681 ( 2.086 10.474 2.080) 10.881 31.868 ( -4.750 -6.608 0.850) 8.182 31.950 ( -1.159 -17.538 0.280) 17.579 ======================= Grid point 187 (61/343) ======================= q-point: (-0.08 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 18.686 0.000 4.331) 19.182 0.730 ( 19.892 -0.000 -6.236) 20.846 1.190 ( 23.738 -0.000 -9.216) 25.465 1.650 ( 6.108 0.000 1.993) 6.425 1.745 ( -2.107 -0.000 -0.767) 2.242 2.132 ( 4.311 0.000 2.119) 4.804 2.794 ( 0.659 -0.000 -0.162) 0.679 2.836 ( -1.681 0.000 4.259) 4.579 2.930 ( 3.034 -0.000 -1.598) 3.429 3.063 ( 12.344 0.000 0.097) 12.344 3.319 ( 0.410 0.000 4.412) 4.431 3.486 ( -0.102 -0.000 -6.783) 6.784 3.573 ( -3.717 0.000 1.067) 3.867 3.597 ( 3.921 -0.000 -3.520) 5.269 3.623 ( -6.475 -0.000 0.100) 6.476 4.679 ( -4.357 0.000 2.951) 5.263 5.112 ( 8.838 -0.000 -0.932) 8.887 5.314 ( -2.998 0.000 0.311) 3.014 6.647 ( -6.601 -0.000 -0.530) 6.622 6.787 ( 3.267 -0.000 -0.368) 3.288 10.314 ( -4.234 -0.000 0.043) 4.234 10.439 ( -5.321 0.000 0.400) 5.336 10.770 ( -3.516 0.000 0.587) 3.565 10.785 ( -2.732 0.000 0.210) 2.740 13.365 ( -6.975 -0.000 -0.673) 7.007 13.611 ( -8.501 0.000 0.704) 8.530 15.670 ( 1.108 -0.000 -0.680) 1.300 16.008 ( -1.200 0.000 1.185) 1.686 17.356 ( 3.836 -0.000 -0.699) 3.900 17.500 ( -3.059 -0.000 -0.231) 3.068 17.794 ( 2.880 0.000 0.011) 2.880 17.979 ( 3.298 0.000 3.327) 4.684 18.703 ( 1.772 -0.000 -6.652) 6.884 18.846 ( -1.345 -0.000 -0.778) 1.554 27.920 ( 2.389 -0.000 -0.874) 2.544 28.290 ( -3.887 0.000 1.251) 4.083 30.258 ( 3.441 0.000 2.195) 4.081 30.503 ( 2.342 0.000 3.474) 4.190 31.082 ( -2.438 -0.000 -5.000) 5.563 31.741 ( 2.366 0.000 3.038) 3.851 31.759 ( 1.726 0.000 0.058) 1.727 31.978 ( -4.672 -0.000 -0.850) 4.749 ======================= Grid point 188 (62/343) ======================= q-point: ( 0.00 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 20.732 0.000 -0.000) 20.732 0.730 ( 17.910 0.000 -0.000) 17.910 1.135 ( 26.656 0.000 -0.000) 26.656 1.661 ( 6.759 0.000 -0.000) 6.759 1.740 ( -2.339 -0.000 0.000) 2.339 2.143 ( 4.353 0.000 -0.000) 4.353 2.793 ( 0.724 0.000 -0.000) 0.724 2.863 ( -5.207 -0.000 0.000) 5.207 2.920 ( 5.266 0.000 -0.000) 5.266 3.064 ( 12.426 0.000 -0.000) 12.426 3.361 ( -1.247 -0.000 0.000) 1.247 3.428 ( 4.493 0.000 -0.000) 4.493 3.579 ( -2.992 -0.000 0.000) 2.992 3.580 ( 3.569 0.000 -0.000) 3.569 3.624 ( -7.455 -0.000 0.000) 7.455 4.695 ( -3.637 -0.000 0.000) 3.637 5.107 ( 7.963 0.000 -0.000) 7.963 5.316 ( -3.873 -0.000 0.000) 3.873 6.644 ( -6.732 -0.000 0.000) 6.732 6.784 ( 3.885 0.000 -0.000) 3.885 10.314 ( -4.372 -0.000 0.000) 4.372 10.441 ( -5.375 -0.000 0.000) 5.375 10.773 ( -3.512 -0.000 0.000) 3.512 10.786 ( -2.671 -0.000 0.000) 2.671 13.361 ( -6.934 -0.000 0.000) 6.934 13.615 ( -8.500 -0.000 0.000) 8.500 15.666 ( 1.098 0.000 -0.000) 1.098 16.014 ( -1.274 -0.000 0.000) 1.274 17.352 ( 3.871 0.000 -0.000) 3.871 17.499 ( -3.336 -0.000 0.000) 3.336 17.794 ( 2.867 0.000 -0.000) 2.867 17.999 ( 2.025 0.000 -0.000) 2.025 18.664 ( 4.028 0.000 -0.000) 4.028 18.842 ( -1.325 -0.000 0.000) 1.325 27.916 ( 2.464 0.000 -0.000) 2.464 28.297 ( -4.004 -0.000 0.000) 4.004 30.270 ( 2.632 0.000 -0.000) 2.632 30.523 ( 2.384 0.000 -0.000) 2.384 31.055 ( -2.524 -0.000 0.000) 2.524 31.759 ( 1.788 0.000 -0.000) 1.788 31.759 ( 2.623 0.000 -0.000) 2.623 31.971 ( -4.902 -0.000 0.000) 4.902 ======================= Grid point 190 (63/343) ======================= q-point: ( 0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( 0.000 12.148 11.092) 16.451 0.390 ( 0.000 20.518 10.186) 22.907 1.369 ( 0.000 82.988 6.177) 83.217 1.547 ( 0.000 7.924 1.634) 8.091 1.755 ( -0.000 -1.723 0.716) 1.866 2.409 ( 0.000 40.209 -4.520) 40.462 2.585 ( -0.000 -4.317 2.999) 5.257 2.801 ( 0.000 1.656 0.281) 1.680 2.833 ( 0.000 0.246 2.036) 2.051 2.976 ( -0.000 -2.172 -0.024) 2.172 3.338 ( -0.000 -5.947 -0.206) 5.950 3.490 ( -0.000 -8.281 0.011) 8.281 3.667 ( 0.000 -7.624 16.311) 18.005 3.746 ( 0.000 -34.062 41.212) 53.466 3.834 ( 0.000 8.433 -2.392) 8.765 3.960 ( 0.000 1.925 5.037) 5.393 4.731 ( -0.000 -1.636 -0.283) 1.661 5.362 ( -0.000 -1.804 -3.426) 3.871 6.820 ( 0.000 5.270 5.200) 7.403 6.878 ( 0.000 10.877 0.015) 10.877 10.328 ( -0.000 -5.302 0.383) 5.316 10.514 ( -0.000 -5.614 -0.377) 5.626 10.821 ( 0.000 0.001 0.131) 0.131 10.838 ( 0.000 0.125 -0.041) 0.131 13.439 ( -0.000 -20.151 -6.387) 21.139 13.603 ( -0.000 -21.881 -0.763) 21.895 15.759 ( 0.000 14.454 -0.567) 14.465 16.094 ( 0.000 7.940 -1.347) 8.053 17.510 ( -0.000 12.489 -16.671) 20.830 17.567 ( -0.000 -0.328 -1.662) 1.694 17.609 ( -0.000 -6.844 1.003) 6.917 17.648 ( -0.000 -10.449 -0.022) 10.449 18.847 ( 0.000 -4.978 20.963) 21.546 18.932 ( 0.000 7.146 0.898) 7.202 27.891 ( 0.000 1.674 1.105) 2.005 28.362 ( -0.000 -0.404 -1.611) 1.661 29.985 ( -0.000 -1.212 0.687) 1.393 30.296 ( -0.000 -22.078 20.411) 30.067 30.539 ( 0.000 7.643 -1.261) 7.747 31.705 ( -0.000 -2.845 -1.860) 3.399 32.108 ( 0.000 7.481 0.197) 7.484 33.347 ( -0.000 54.542 -72.845) 91.001 ======================= Grid point 191 (64/343) ======================= q-point: ( 0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -11.938 12.695 4.173) 17.920 0.735 ( -12.611 16.693 9.069) 22.802 1.572 ( -3.522 4.258 -2.133) 5.923 1.664 ( 6.140 5.624 2.427) 8.673 2.120 ( -5.441 61.964 5.071) 62.408 2.494 ( 1.939 11.860 -5.061) 13.040 2.663 ( 1.100 5.449 0.589) 5.590 2.811 ( 1.002 2.409 0.984) 2.789 2.920 ( 2.431 -3.404 0.760) 4.251 3.089 ( -13.137 29.455 1.178) 32.273 3.261 ( 2.538 -4.322 0.170) 5.015 3.420 ( 1.167 -7.947 -0.083) 8.032 3.507 ( 4.184 -8.354 17.870) 20.165 3.695 ( 2.461 4.113 1.308) 4.968 3.867 ( 2.574 10.444 -2.369) 11.014 4.492 ( -29.006 -20.040 6.919) 35.928 4.697 ( 0.639 -3.434 -1.886) 3.970 5.314 ( 1.107 -2.372 -3.845) 4.651 6.901 ( -0.194 13.600 0.806) 13.626 6.953 ( 1.795 16.167 1.278) 16.317 10.264 ( 2.399 -9.066 0.387) 9.386 10.434 ( 3.029 -8.116 -0.638) 8.686 10.805 ( 2.010 -0.686 0.078) 2.125 10.815 ( 2.532 -0.096 -0.223) 2.543 13.169 ( 5.171 -28.827 -0.613) 29.293 13.381 ( 3.310 -30.012 -1.088) 30.214 15.860 ( 1.003 16.400 0.009) 16.431 16.141 ( 1.158 9.940 -1.691) 10.149 17.357 ( 4.607 -0.417 -0.421) 4.645 17.525 ( 2.179 -3.216 -1.308) 4.098 17.616 ( -3.955 -8.000 -0.621) 8.946 17.779 ( -11.085 -4.013 -5.877) 13.173 18.885 ( 3.286 6.982 11.522) 13.867 18.986 ( 1.209 9.037 1.225) 9.200 27.922 ( -1.062 2.319 1.548) 2.983 28.329 ( 2.007 -0.487 -2.102) 2.947 30.057 ( -5.095 -6.086 -3.536) 8.689 30.393 ( -14.898 -20.903 12.280) 28.455 30.594 ( -0.899 8.637 -3.263) 9.277 31.643 ( 1.764 -4.345 -4.294) 6.358 32.154 ( 3.186 11.013 2.367) 11.706 32.945 ( 32.281 42.726 -21.481) 57.697 ======================= Grid point 192 (65/343) ======================= q-point: ( 0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -12.834 11.533 0.208) 17.256 1.101 ( -10.457 16.289 6.001) 20.265 1.588 ( 4.716 -0.943 1.230) 4.964 1.663 ( -4.904 2.055 -1.978) 5.673 2.354 ( 3.279 9.839 -1.995) 10.561 2.530 ( 9.633 19.707 1.799) 22.009 2.717 ( 0.935 3.798 -5.134) 6.454 2.800 ( 2.478 -0.095 1.194) 2.752 2.951 ( -4.778 12.206 3.379) 13.537 3.213 ( -0.467 -2.183 -2.817) 3.594 3.310 ( 3.084 -4.919 0.780) 5.858 3.548 ( -7.645 26.285 -1.554) 27.418 3.585 ( -4.709 5.995 12.009) 14.224 3.674 ( 2.489 4.480 0.758) 5.181 3.907 ( 1.208 19.202 -1.506) 19.299 4.565 ( 3.235 -5.627 -3.683) 7.463 4.876 ( -19.099 -8.736 3.787) 21.341 5.267 ( 0.345 -2.418 -1.097) 2.677 7.013 ( 1.354 23.079 -0.474) 23.123 7.118 ( -4.900 21.626 1.334) 22.214 10.108 ( 6.412 -14.630 0.879) 15.997 10.289 ( 5.033 -11.618 -0.985) 12.699 10.732 ( 5.189 -1.914 -0.157) 5.533 10.745 ( 4.685 -0.926 -0.409) 4.793 12.878 ( 2.957 -31.636 0.533) 31.779 13.070 ( 4.671 -33.990 -1.112) 34.328 15.948 ( 1.870 14.919 0.474) 15.043 16.172 ( 2.383 9.786 -1.505) 10.184 17.304 ( -0.035 -5.225 0.696) 5.271 17.466 ( 1.140 -2.737 -0.804) 3.073 17.645 ( -5.104 -6.421 0.241) 8.206 17.890 ( -7.239 -2.248 -3.578) 8.382 18.950 ( 1.654 9.194 6.273) 11.252 19.028 ( 2.263 9.491 1.229) 9.834 27.973 ( -1.721 2.508 1.574) 3.425 28.270 ( 2.987 -0.107 -1.840) 3.509 30.068 ( -4.461 -7.055 -3.481) 9.044 30.569 ( -13.095 -17.301 9.612) 23.731 30.660 ( -1.702 9.811 -4.905) 11.100 31.558 ( 1.103 -4.426 -4.679) 6.534 32.161 ( 7.284 11.766 3.433) 14.258 32.675 ( 19.687 27.981 -7.314) 34.986 ======================= Grid point 193 (66/343) ======================= q-point: ( 0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -7.660 9.770 -1.690) 12.529 1.385 ( -5.416 14.609 2.187) 15.734 1.516 ( 1.973 -0.293 1.120) 2.288 1.731 ( -2.693 -0.725 -1.868) 3.356 2.316 ( 6.051 6.977 -1.095) 9.300 2.486 ( 8.237 11.764 0.383) 14.366 2.662 ( 0.896 1.709 -4.352) 4.760 2.756 ( 1.615 -3.814 1.241) 4.324 3.054 ( 0.179 1.500 -2.086) 2.575 3.176 ( 0.330 -4.892 -1.714) 5.194 3.235 ( 2.434 -1.458 -0.292) 2.853 3.597 ( 4.592 -1.212 3.722) 6.034 3.694 ( 1.138 9.099 -3.005) 9.650 3.854 ( -2.335 10.901 2.629) 11.454 4.113 ( -3.926 28.143 -1.544) 28.458 4.528 ( -1.043 15.199 -1.646) 15.323 5.103 ( -9.830 -8.857 1.560) 13.323 5.291 ( -4.242 0.763 4.515) 6.242 7.223 ( -3.843 31.617 1.106) 31.869 7.441 ( -10.512 29.714 -0.372) 31.521 9.829 ( 10.885 -23.142 1.637) 25.626 10.067 ( 7.708 -18.736 -1.648) 20.326 10.599 ( 7.653 -2.100 -0.092) 7.936 10.637 ( 6.033 -1.259 -0.676) 6.200 12.635 ( 0.119 -28.570 -0.187) 28.571 12.752 ( 3.274 -32.472 -0.510) 32.640 16.007 ( 2.495 11.724 0.642) 12.004 16.176 ( 3.408 7.728 -0.979) 8.502 17.281 ( -1.458 -5.911 0.752) 6.135 17.436 ( 0.885 -0.073 -0.543) 1.041 17.704 ( -5.702 -5.795 1.571) 8.280 17.971 ( -5.242 -1.418 -2.950) 6.180 19.011 ( 1.443 8.008 3.329) 8.792 19.053 ( 2.829 8.780 0.986) 9.277 28.024 ( -1.306 1.631 0.358) 2.120 28.216 ( 2.469 1.136 -0.098) 2.720 30.091 ( -5.966 -6.453 -4.314) 9.790 30.700 ( -6.416 -5.747 6.011) 10.504 30.753 ( -5.589 2.405 -0.723) 6.127 31.503 ( -0.527 -3.830 -3.197) 5.016 32.087 ( 11.333 10.030 1.616) 15.220 32.530 ( 12.514 17.746 -3.244) 21.956 ======================= Grid point 194 (67/343) ======================= q-point: ( 0.46 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -2.072 7.253 -2.195) 7.856 1.424 ( 2.822 5.460 -1.607) 6.353 1.620 ( -2.609 5.655 0.970) 6.303 1.728 ( -0.661 -1.340 -1.213) 1.925 2.244 ( 9.051 13.017 0.944) 15.882 2.406 ( 7.125 5.995 -1.375) 9.412 2.691 ( -1.608 7.643 -5.513) 9.560 2.711 ( 0.092 -5.205 1.001) 5.301 2.977 ( 1.945 -5.583 -5.700) 8.212 3.160 ( 2.473 1.952 2.432) 3.980 3.185 ( -0.250 -3.390 -1.080) 3.566 3.506 ( 5.532 -2.990 2.131) 6.640 3.691 ( 4.489 6.070 -3.048) 8.142 3.825 ( 0.096 -5.527 -3.999) 6.823 4.372 ( -2.792 21.635 1.495) 21.866 4.769 ( -4.581 29.002 1.220) 29.387 5.140 ( -3.266 -9.700 0.993) 10.283 5.427 ( -4.300 1.747 6.071) 7.642 7.620 ( -11.359 38.901 2.305) 40.591 7.896 ( -14.316 35.945 -1.448) 38.718 9.407 ( 15.292 -32.704 2.016) 36.159 9.715 ( 11.854 -28.546 -2.364) 31.000 10.452 ( 7.266 -0.640 0.129) 7.295 10.519 ( 5.713 -0.839 -0.713) 5.818 12.467 ( -2.327 -24.036 -1.100) 24.173 12.518 ( -0.509 -24.375 0.237) 24.382 16.034 ( 2.543 7.809 0.672) 8.240 16.151 ( 3.925 4.809 -0.572) 6.234 17.280 ( -1.889 -4.058 1.017) 4.590 17.422 ( 1.304 2.021 -0.498) 2.456 17.775 ( -5.035 -4.531 2.334) 7.164 18.024 ( -3.826 -1.719 -3.068) 5.197 19.045 ( 1.673 5.791 1.554) 6.225 19.063 ( 2.962 7.262 0.732) 7.877 28.033 ( 0.436 -0.057 -1.760) 1.814 28.210 ( 0.654 2.605 2.401) 3.603 30.144 ( -7.261 -5.060 -4.536) 9.945 30.798 ( -3.383 4.135 1.089) 5.452 30.862 ( -5.552 -4.508 5.832) 9.228 31.485 ( -1.343 -3.297 -0.927) 3.679 31.931 ( 12.482 7.284 -2.121) 14.607 32.433 ( 8.645 10.561 -1.451) 13.725 ======================= Grid point 195 (68/343) ======================= q-point: ( 0.54 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.619 4.587 -1.609) 4.900 1.440 ( 0.996 6.374 0.602) 6.479 1.568 ( 3.890 -1.051 -4.262) 5.865 1.770 ( -0.806 1.025 0.727) 1.493 2.225 ( 6.785 19.138 1.792) 20.384 2.312 ( 7.124 6.049 -2.127) 9.585 2.697 ( -1.857 -3.612 -4.159) 5.814 2.706 ( 1.142 3.325 -1.300) 3.748 2.929 ( -2.011 0.337 -3.480) 4.034 3.117 ( 2.961 0.019 1.687) 3.408 3.191 ( -0.188 0.091 0.582) 0.618 3.399 ( 4.853 -2.309 2.249) 5.826 3.592 ( 4.594 -2.345 -1.262) 5.310 3.837 ( -3.910 2.124 -5.502) 7.076 4.511 ( 0.374 8.177 3.919) 9.076 4.997 ( 1.246 16.452 -1.999) 16.620 5.149 ( -3.803 -0.605 2.890) 4.815 5.501 ( -0.097 1.394 3.733) 3.986 8.171 ( -15.772 41.569 2.282) 44.519 8.393 ( -12.393 30.699 -1.016) 33.122 8.858 ( 18.041 -38.608 1.376) 42.638 9.258 ( 11.606 -29.690 -2.376) 31.967 10.342 ( 4.916 0.026 -0.002) 4.916 10.426 ( 3.884 -0.107 -0.287) 3.896 12.368 ( -4.503 -18.310 0.189) 18.857 12.428 ( -4.404 -14.558 -0.980) 15.241 16.038 ( 2.101 3.943 0.693) 4.521 16.103 ( 3.778 1.880 -0.525) 4.253 17.300 ( -1.759 -1.388 1.290) 2.585 17.411 ( 1.695 3.183 -0.496) 3.640 17.834 ( -3.197 -2.927 1.835) 4.707 18.055 ( -3.144 -2.272 -2.501) 4.616 19.053 ( 1.851 3.624 0.654) 4.121 19.057 ( 2.984 4.753 0.428) 5.629 28.008 ( 0.591 -0.601 -1.895) 2.074 28.233 ( 0.607 2.216 2.483) 3.383 30.225 ( -7.387 -3.077 -3.536) 8.749 30.883 ( -1.427 6.848 -1.567) 7.168 30.942 ( -2.906 -5.471 9.035) 10.955 31.482 ( -0.856 -3.927 1.229) 4.203 31.757 ( 9.205 6.012 -5.372) 12.237 32.352 ( 5.971 4.645 -0.770) 7.604 ======================= Grid point 196 (69/343) ======================= q-point: ( 0.62 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 1.206 2.069 0.023) 2.395 1.379 ( 3.817 -4.577 -0.442) 5.976 1.596 ( -3.292 9.267 -1.154) 9.901 1.773 ( 2.278 5.210 1.605) 5.908 2.171 ( 7.753 3.479 -2.883) 8.974 2.313 ( 4.358 20.711 0.909) 21.184 2.673 ( -1.560 -0.570 -4.088) 4.413 2.751 ( -2.378 2.154 2.609) 4.136 2.975 ( -2.348 3.670 -2.047) 4.814 3.077 ( 3.499 0.583 2.798) 4.518 3.180 ( 0.371 -1.849 -0.757) 2.032 3.357 ( 0.433 0.054 3.891) 3.915 3.516 ( 1.134 -3.443 0.622) 3.678 3.897 ( -2.839 5.768 -6.574) 9.195 4.521 ( 3.631 -3.722 7.052) 8.761 4.936 ( 4.781 -5.100 -5.046) 8.621 5.256 ( 2.206 10.854 4.107) 11.812 5.519 ( -0.141 4.352 -1.513) 4.610 8.183 ( 19.323 -40.633 -0.933) 45.003 8.436 ( 12.915 -27.313 1.049) 30.231 8.803 ( -16.355 37.962 1.934) 41.381 9.213 ( -13.011 23.657 -1.817) 27.060 10.279 ( 1.902 -0.240 -0.376) 1.954 10.382 ( 1.122 0.518 0.371) 1.290 12.380 ( -7.644 -9.443 0.749) 12.173 12.442 ( -6.541 -7.454 -1.288) 10.001 16.017 ( 2.732 0.011 0.225) 2.741 16.051 ( 1.809 -0.191 -0.213) 1.831 17.332 ( -1.273 0.675 1.018) 1.765 17.404 ( 1.693 4.015 -0.379) 4.374 17.864 ( -1.410 -1.543 0.339) 2.117 18.080 ( -2.521 -2.353 -0.711) 3.521 19.028 ( 2.946 1.607 0.039) 3.356 19.039 ( 2.053 1.631 0.223) 2.631 27.993 ( -0.500 -0.718 -1.218) 1.500 28.235 ( 1.746 1.015 1.445) 2.483 30.316 ( -5.606 -0.639 -1.481) 5.833 30.912 ( 2.575 1.955 2.049) 3.827 30.971 ( 0.456 -0.606 2.462) 2.576 31.478 ( -2.546 -5.653 1.574) 6.396 31.663 ( 3.895 7.356 -4.399) 9.415 32.280 ( 3.394 -0.721 -0.374) 3.490 ======================= Grid point 197 (70/343) ======================= q-point: (-0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.508 -2.856 1.370) 3.208 1.326 ( 0.592 -1.325 -0.571) 1.560 1.700 ( -0.365 5.758 2.394) 6.246 1.811 ( -0.008 8.364 0.907) 8.413 2.047 ( 8.079 8.094 -2.056) 11.619 2.374 ( 3.638 14.078 0.290) 14.544 2.709 ( -3.110 1.122 -0.450) 3.337 2.814 ( -0.055 3.249 1.207) 3.466 3.028 ( 0.542 0.228 1.385) 1.504 3.042 ( -0.584 4.010 0.689) 4.110 3.174 ( -2.146 -1.362 -1.035) 2.745 3.408 ( -3.185 -0.510 3.154) 4.511 3.517 ( -1.731 -0.945 5.186) 5.548 3.942 ( -0.987 7.396 -7.176) 10.352 4.399 ( 7.902 -13.498 8.762) 17.928 4.732 ( 8.799 -10.947 -4.769) 14.833 5.248 ( 4.814 5.674 -0.404) 7.452 5.555 ( 0.682 7.777 -3.258) 8.459 7.546 ( 17.828 -39.803 -1.781) 43.649 7.931 ( 15.512 -35.406 1.704) 38.693 9.343 ( -14.337 32.688 -0.005) 35.694 9.673 ( -14.465 27.357 0.290) 30.947 10.273 ( -1.950 -0.084 -0.553) 2.029 10.399 ( -1.980 1.132 0.814) 2.422 12.506 ( -10.127 -1.844 0.392) 10.301 12.546 ( -8.888 1.051 -0.602) 8.971 15.950 ( 2.973 -3.137 -0.550) 4.357 16.031 ( 0.049 -2.057 0.402) 2.096 17.359 ( -0.771 0.829 -0.063) 1.134 17.409 ( 1.306 5.548 0.031) 5.699 17.871 ( -0.311 -0.213 -0.539) 0.658 18.099 ( -1.125 -2.093 0.803) 2.508 18.978 ( 2.599 -1.372 -0.312) 2.955 19.004 ( 2.413 -0.407 -0.167) 2.452 28.005 ( -1.964 -0.650 -0.373) 2.102 28.200 ( 2.938 -0.192 0.286) 2.958 30.389 ( -1.769 2.233 0.990) 3.016 30.828 ( 6.146 -4.864 3.220) 8.473 30.968 ( 0.787 4.253 -4.102) 5.961 31.531 ( -6.523 -5.489 1.930) 8.741 31.653 ( 2.352 8.521 -1.758) 9.013 32.217 ( 1.130 -5.725 0.122) 5.837 ======================= Grid point 198 (71/343) ======================= q-point: (-0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 1.430 -0.148 1.992) 2.457 1.308 ( -2.147 -2.839 0.188) 3.564 1.666 ( 9.077 4.352 -0.231) 10.069 1.864 ( 1.481 8.314 1.288) 8.542 2.014 ( 0.382 1.299 0.742) 1.544 2.379 ( 5.041 8.510 0.699) 9.916 2.760 ( 1.123 1.071 2.037) 2.560 2.796 ( 1.047 1.820 -0.705) 2.215 3.074 ( -3.722 1.724 0.018) 4.102 3.085 ( -1.154 3.877 -0.087) 4.045 3.240 ( -4.148 3.877 0.099) 5.679 3.458 ( -3.680 -4.793 0.199) 6.047 3.600 ( -0.539 0.648 10.000) 10.035 3.936 ( 3.450 0.969 -8.760) 9.464 4.186 ( 8.110 -12.213 10.879) 18.256 4.441 ( 9.343 -13.670 -3.998) 17.034 5.206 ( 1.680 3.272 -3.953) 5.399 5.540 ( 5.225 6.159 -2.869) 8.571 7.010 ( 11.960 -31.757 -1.846) 33.985 7.458 ( 12.814 -27.964 1.645) 30.804 9.757 ( -10.665 21.999 -0.797) 24.461 10.041 ( -8.280 15.536 0.825) 17.624 10.362 ( -7.468 3.568 -0.199) 8.279 10.474 ( -4.610 1.928 0.877) 5.074 12.696 ( -10.519 4.300 -0.319) 11.368 12.777 ( -12.452 9.156 0.390) 15.461 15.868 ( 2.442 -5.131 -0.670) 5.722 16.018 ( -0.663 -3.782 0.516) 3.874 17.374 ( -1.011 0.315 -0.836) 1.349 17.431 ( 1.328 6.361 0.042) 6.498 17.868 ( 0.743 1.297 -0.525) 1.585 18.095 ( 0.612 -1.683 1.328) 2.230 18.918 ( 1.764 -3.628 -0.499) 4.065 18.945 ( 2.950 -2.261 -0.696) 3.781 28.048 ( -2.991 -0.217 0.619) 3.062 28.137 ( 3.305 -1.156 -0.756) 3.582 30.412 ( 3.280 5.125 2.443) 6.557 30.704 ( 3.402 -7.485 1.343) 8.331 30.960 ( 1.190 5.324 -4.770) 7.247 31.622 ( -3.455 -0.285 2.508) 4.279 31.681 ( -1.891 4.665 -1.367) 5.216 32.155 ( -0.314 -10.701 0.633) 10.724 ======================= Grid point 199 (72/343) ======================= q-point: (-0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 7.703 -0.849 1.951) 7.991 1.319 ( 5.126 -1.484 -0.794) 5.395 1.530 ( 5.794 7.558 -0.833) 9.559 1.870 ( 4.342 4.006 1.495) 6.094 1.970 ( 0.997 -16.046 0.543) 16.086 2.331 ( 5.678 3.639 1.430) 6.893 2.731 ( 0.424 0.205 0.875) 0.994 2.818 ( 0.446 2.821 0.010) 2.856 3.079 ( 2.334 3.140 -0.718) 3.977 3.218 ( -6.652 5.938 -0.352) 8.924 3.339 ( -1.355 5.892 1.268) 6.178 3.482 ( -3.352 -6.576 0.695) 7.414 3.572 ( 5.374 -7.087 5.464) 10.438 3.704 ( 9.256 -11.556 -5.887) 15.933 3.970 ( 15.555 -5.410 2.717) 16.692 4.389 ( -9.347 -1.301 2.855) 9.860 5.202 ( -1.591 1.622 -3.612) 4.267 5.427 ( 9.451 3.728 -2.259) 10.408 6.677 ( 3.693 -19.957 -1.264) 20.335 7.110 ( 9.202 -16.997 1.053) 19.356 10.033 ( -7.768 11.638 -0.542) 14.002 10.218 ( -5.114 4.948 0.295) 7.122 10.553 ( -8.430 5.590 0.292) 10.120 10.586 ( -5.595 1.993 0.637) 5.973 12.934 ( -10.945 8.703 -0.322) 13.987 13.091 ( -13.415 11.956 0.483) 17.976 15.785 ( 2.029 -5.964 -0.569) 6.326 16.007 ( -1.055 -4.408 0.564) 4.567 17.397 ( -2.024 0.164 -0.872) 2.210 17.442 ( 2.241 5.069 -0.229) 5.547 17.857 ( 1.896 2.553 -0.237) 3.189 18.069 ( 1.942 -0.805 1.202) 2.421 18.860 ( 3.247 -3.574 -0.987) 4.929 18.866 ( 0.933 -4.379 -0.779) 4.544 28.047 ( 3.970 -0.545 0.073) 4.008 28.130 ( -4.549 -0.675 -0.067) 4.599 30.375 ( 5.909 5.610 1.591) 8.301 30.625 ( 0.914 -7.264 2.000) 7.590 30.957 ( 1.132 7.091 -4.409) 8.426 31.664 ( 2.377 8.740 1.828) 9.240 31.773 ( -7.358 -2.889 -0.846) 7.950 32.075 ( -0.735 -16.270 0.817) 16.307 ======================= Grid point 200 (73/343) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 13.364 -1.330 1.979) 13.575 1.067 ( 18.235 -0.844 -2.165) 18.382 1.521 ( 7.809 1.600 -1.172) 8.057 1.757 ( 2.838 -18.939 0.992) 19.177 1.788 ( 6.472 -1.164 -0.293) 6.582 2.246 ( 5.366 -1.907 1.065) 5.793 2.773 ( -3.802 0.923 0.611) 3.960 2.811 ( 1.406 0.828 -0.008) 1.632 3.019 ( 6.698 3.542 -0.446) 7.590 3.314 ( 8.683 -1.911 0.145) 8.892 3.346 ( 2.074 1.311 2.861) 3.769 3.429 ( 0.333 1.539 -1.307) 2.047 3.518 ( -4.555 -6.410 1.340) 7.977 3.539 ( -3.214 -5.824 -2.402) 7.073 3.720 ( 10.984 0.900 -0.560) 11.035 4.581 ( -8.397 0.803 2.440) 8.781 5.245 ( -3.421 0.801 -1.200) 3.713 5.259 ( 10.174 3.007 -1.280) 10.686 6.575 ( -3.606 -8.667 -0.487) 9.400 6.895 ( 6.097 -7.138 0.354) 9.395 10.207 ( -5.971 4.567 -0.143) 7.518 10.335 ( -5.552 1.812 0.132) 5.842 10.694 ( -4.891 0.930 0.333) 4.989 10.707 ( -5.445 2.382 0.172) 5.946 13.181 ( -9.856 7.510 -0.252) 12.394 13.398 ( -11.913 8.612 0.328) 14.703 15.711 ( 1.678 -4.609 -0.326) 4.916 16.002 ( -1.260 -3.225 0.445) 3.490 17.415 ( 3.521 2.133 -0.253) 4.125 17.441 ( -3.085 0.117 -0.451) 3.120 17.834 ( 2.728 2.555 -0.038) 3.738 18.033 ( 2.389 0.272 0.848) 2.550 18.758 ( 4.244 -3.121 -1.490) 5.475 18.836 ( -0.701 -3.248 -0.352) 3.341 27.973 ( 3.558 -0.583 -0.286) 3.617 28.215 ( -4.896 -0.066 0.388) 4.912 30.318 ( 4.643 3.729 0.622) 5.988 30.573 ( 1.612 -4.625 1.765) 5.206 30.985 ( -0.088 9.341 -2.671) 9.716 31.697 ( 2.576 11.385 0.855) 11.704 31.875 ( -6.419 -3.038 0.429) 7.114 31.949 ( -0.141 -21.931 -0.141) 21.932 ======================= Grid point 204 (74/343) ======================= q-point: ( 0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 0.000 7.634 16.647) 18.314 0.522 ( 0.000 16.970 14.070) 22.044 1.427 ( 0.000 43.503 3.091) 43.612 1.598 ( 0.000 38.985 9.313) 40.082 1.762 ( -0.000 -2.706 0.313) 2.724 2.354 ( 0.000 35.052 -5.496) 35.481 2.620 ( 0.000 2.787 3.273) 4.299 2.803 ( 0.000 2.573 -0.052) 2.573 2.843 ( 0.000 1.569 0.585) 1.675 2.975 ( -0.000 -2.214 -0.186) 2.222 3.333 ( -0.000 -5.257 -0.662) 5.298 3.490 ( -0.000 -8.570 -0.163) 8.572 3.682 ( 0.000 5.208 -0.475) 5.230 3.801 ( 0.000 8.221 -3.748) 9.035 4.034 ( 0.000 2.029 8.908) 9.136 4.176 ( -0.000 -44.019 28.348) 52.357 4.727 ( -0.000 -2.233 -0.565) 2.303 5.308 ( -0.000 -1.642 -6.802) 6.998 6.865 ( 0.000 3.962 3.035) 4.991 6.878 ( 0.000 10.756 0.038) 10.756 10.334 ( -0.000 -5.281 0.768) 5.336 10.506 ( -0.000 -5.300 -1.166) 5.427 10.823 ( 0.000 -0.012 0.237) 0.238 10.838 ( 0.000 0.048 0.004) 0.048 13.392 ( -0.000 -18.661 -2.409) 18.815 13.591 ( -0.000 -21.918 -1.484) 21.968 15.760 ( 0.000 13.070 0.804) 13.094 16.073 ( 0.000 8.135 -2.536) 8.521 17.396 ( 0.000 10.586 -5.929) 12.133 17.546 ( -0.000 -0.603 -2.191) 2.273 17.619 ( -0.000 -6.690 0.916) 6.752 17.647 ( -0.000 -10.337 -0.040) 10.337 18.946 ( 0.000 7.214 1.658) 7.402 18.999 ( 0.000 -2.697 8.815) 9.218 27.908 ( 0.000 1.591 2.180) 2.699 28.337 ( -0.000 -0.327 -3.053) 3.071 29.996 ( 0.000 -1.093 1.394) 1.772 30.423 ( -0.000 -5.145 -0.604) 5.180 30.605 ( -0.000 -21.987 16.741) 27.635 31.676 ( -0.000 -6.218 -3.712) 7.242 32.111 ( 0.000 10.908 0.404) 10.915 32.740 ( 0.000 67.034 -40.900) 78.527 ======================= Grid point 205 (75/343) ======================= q-point: ( 0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -6.382 10.923 11.376) 17.013 0.840 ( -10.315 15.864 10.618) 21.698 1.545 ( -3.827 4.595 -3.119) 6.744 1.684 ( 4.832 0.503 0.991) 4.958 2.183 ( -2.203 57.022 6.686) 57.455 2.451 ( 1.430 17.512 -2.957) 17.817 2.666 ( 4.137 7.312 0.042) 8.401 2.824 ( 0.827 2.838 1.582) 3.353 2.929 ( 1.249 -2.956 1.029) 3.369 3.093 ( -12.641 27.949 -0.076) 30.675 3.266 ( 2.506 -2.550 0.583) 3.623 3.417 ( 1.092 -8.359 -0.517) 8.445 3.648 ( 6.469 -0.614 5.481) 8.501 3.745 ( 5.608 -1.517 9.712) 11.316 3.844 ( 2.642 8.343 -0.736) 8.782 4.573 ( -23.668 -17.973 7.992) 30.774 4.672 ( 0.782 -4.202 -2.915) 5.174 5.262 ( -0.756 -2.356 -6.035) 6.522 6.907 ( 1.891 13.578 0.350) 13.714 6.968 ( 0.466 15.486 1.449) 15.561 10.271 ( 2.487 -8.785 0.822) 9.167 10.424 ( 3.007 -8.007 -1.249) 8.644 10.806 ( 2.173 -0.647 0.112) 2.270 10.812 ( 2.688 -0.092 -0.165) 2.695 13.167 ( 3.939 -28.840 0.288) 29.109 13.366 ( 3.217 -30.001 -1.748) 30.224 15.864 ( 0.639 15.536 0.818) 15.571 16.118 ( 0.972 10.285 -2.594) 10.651 17.354 ( 2.973 -0.343 0.100) 2.995 17.508 ( 1.775 -2.319 -1.858) 3.461 17.610 ( -4.552 -9.596 -0.431) 10.630 17.728 ( -10.503 -3.288 -3.718) 11.617 18.992 ( 4.654 5.866 8.261) 11.149 19.002 ( 1.335 9.017 1.877) 9.307 27.943 ( -0.956 2.200 2.456) 3.433 28.301 ( 1.741 -0.291 -3.282) 3.727 30.033 ( -3.399 -4.997 -1.130) 6.148 30.466 ( -8.489 -3.858 -1.348) 9.421 30.612 ( -4.308 -11.404 9.689) 15.572 31.587 ( 0.775 -7.435 -6.358) 9.813 32.183 ( 3.462 14.249 3.072) 14.982 32.728 ( 18.925 42.457 -18.577) 50.058 ======================= Grid point 206 (76/343) ======================= q-point: ( 0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -9.432 10.441 4.873) 14.891 1.169 ( -8.418 15.774 6.681) 19.087 1.586 ( 3.379 -0.973 -2.376) 4.244 1.647 ( -4.069 1.383 -0.682) 4.352 2.335 ( 3.905 9.491 -1.315) 10.347 2.548 ( 10.490 21.444 1.504) 23.920 2.663 ( 1.886 5.334 -4.997) 7.549 2.815 ( 2.256 -0.723 1.563) 2.838 2.989 ( -3.277 9.391 3.668) 10.601 3.194 ( 0.768 -2.614 -0.940) 2.882 3.318 ( 2.903 -5.032 0.506) 5.831 3.532 ( -6.250 25.356 -1.396) 26.152 3.671 ( -1.268 9.847 1.484) 10.038 3.719 ( 1.196 2.521 10.389) 10.757 3.890 ( 0.244 18.117 -1.492) 18.180 4.512 ( 5.170 -2.435 -6.314) 8.516 4.924 ( -18.475 -9.659 5.163) 21.477 5.252 ( -2.793 -2.629 -1.740) 4.212 7.009 ( 0.421 22.424 -0.319) 22.430 7.132 ( -3.722 22.196 1.217) 22.538 10.119 ( 6.254 -14.290 1.333) 15.655 10.276 ( 5.078 -11.810 -1.497) 12.943 10.730 ( 5.343 -1.680 -0.206) 5.605 10.741 ( 4.861 -0.934 -0.341) 4.962 12.885 ( 3.086 -31.973 0.907) 32.134 13.056 ( 4.378 -33.789 -1.526) 34.106 15.955 ( 1.673 14.334 0.928) 14.461 16.153 ( 2.049 10.259 -1.998) 10.651 17.312 ( -0.133 -5.587 0.925) 5.665 17.457 ( 0.830 -2.646 -0.972) 2.939 17.649 ( -6.025 -6.759 0.358) 9.061 17.853 ( -7.640 -1.813 -3.390) 8.553 19.014 ( 3.165 8.508 5.415) 10.570 19.043 ( 2.466 9.211 1.726) 9.690 27.993 ( -1.270 2.256 2.087) 3.325 28.247 ( 2.267 0.358 -2.475) 3.375 30.035 ( -3.680 -7.274 -2.669) 8.577 30.596 ( -5.295 7.474 -5.466) 10.667 30.687 ( -8.923 -15.154 11.004) 20.745 31.500 ( -0.765 -6.467 -6.338) 9.087 32.200 ( 8.455 13.600 3.759) 16.450 32.596 ( 15.675 27.784 -7.348) 32.736 ======================= Grid point 207 (77/343) ======================= q-point: ( 0.46 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -6.016 9.088 0.443) 10.908 1.404 ( -1.600 11.378 0.900) 11.525 1.523 ( -0.624 2.262 0.306) 2.367 1.714 ( -2.433 -0.453 -1.248) 2.772 2.305 ( 6.196 9.555 -0.776) 11.415 2.487 ( 7.969 8.101 -0.431) 11.372 2.615 ( 2.457 6.017 -4.378) 7.837 2.770 ( 1.604 -4.175 1.370) 4.678 3.025 ( 1.983 -3.147 -3.029) 4.797 3.171 ( -0.828 -2.229 0.724) 2.486 3.240 ( 3.367 -1.781 0.777) 3.887 3.621 ( 4.591 2.112 0.498) 5.078 3.666 ( 1.823 6.638 -1.768) 7.107 3.873 ( 1.777 3.399 0.814) 3.921 4.109 ( -5.336 29.826 0.911) 30.313 4.505 ( -2.213 21.716 -2.656) 21.989 5.123 ( -8.933 -10.733 2.071) 14.117 5.337 ( -7.020 1.119 4.037) 8.174 7.236 ( -4.922 31.245 1.255) 31.655 7.437 ( -9.411 30.175 -0.480) 31.612 9.849 ( 10.752 -22.769 2.133) 25.270 10.047 ( 7.861 -19.209 -2.168) 20.868 10.598 ( 7.560 -1.943 -0.113) 7.807 10.630 ( 6.245 -1.086 -0.624) 6.370 12.633 ( 0.593 -29.304 -0.168) 29.310 12.746 ( 2.846 -31.921 -0.562) 32.053 16.015 ( 2.365 11.214 0.835) 11.491 16.165 ( 3.155 8.198 -1.134) 8.857 17.290 ( -1.435 -5.753 0.837) 5.988 17.430 ( 0.507 -0.803 -0.679) 1.168 17.722 ( -6.267 -5.443 1.887) 8.513 17.938 ( -5.255 -1.418 -3.131) 6.280 19.045 ( 2.489 7.570 2.999) 8.515 19.064 ( 3.031 8.553 1.128) 9.144 28.027 ( -0.195 0.984 0.226) 1.028 28.215 ( 1.135 2.066 0.009) 2.357 30.048 ( -5.654 -7.049 -3.684) 9.758 30.697 ( -2.691 8.814 -3.216) 9.760 30.817 ( -9.704 -11.750 9.315) 17.861 31.461 ( -2.562 -4.694 -4.630) 7.073 32.104 ( 13.335 10.248 1.449) 16.881 32.496 ( 11.191 18.406 -2.953) 21.743 ======================= Grid point 208 (78/343) ======================= q-point: ( 0.54 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -1.739 7.297 -1.354) 7.623 1.395 ( 2.652 6.557 -3.796) 8.028 1.634 ( -0.160 2.476 1.592) 2.948 1.717 ( -1.916 0.111 -0.803) 2.080 2.255 ( 8.873 15.461 0.969) 17.852 2.388 ( 6.141 2.478 -2.135) 6.958 2.632 ( 0.316 8.848 -5.245) 10.291 2.725 ( 0.138 -4.889 1.508) 5.118 2.921 ( 1.265 -6.370 -4.686) 8.009 3.178 ( 2.113 -2.303 0.471) 3.161 3.189 ( 0.395 1.810 1.920) 2.668 3.525 ( 6.172 -1.212 1.579) 6.485 3.657 ( 3.719 5.825 -3.340) 7.675 3.781 ( 0.816 -6.588 -3.926) 7.712 4.392 ( -2.847 22.631 2.212) 22.917 4.775 ( -4.306 30.456 -0.094) 30.759 5.157 ( -4.527 -12.697 1.987) 13.626 5.485 ( -3.759 2.482 4.772) 6.562 7.646 ( -11.822 38.620 2.499) 40.466 7.879 ( -13.839 36.503 -1.680) 39.074 9.430 ( 15.651 -32.472 2.300) 36.120 9.688 ( 11.676 -29.040 -2.645) 31.411 10.453 ( 7.148 -0.802 0.117) 7.193 10.511 ( 5.761 -0.455 -0.635) 5.814 12.456 ( -2.524 -24.224 -0.921) 24.372 12.519 ( -0.382 -24.401 0.113) 24.404 16.042 ( 2.391 7.351 0.707) 7.763 16.145 ( 3.903 5.154 -0.592) 6.492 17.292 ( -1.848 -3.480 1.123) 4.098 17.415 ( 0.970 1.298 -0.766) 1.793 17.803 ( -4.868 -4.169 2.950) 7.055 17.989 ( -4.021 -1.965 -3.489) 5.675 19.060 ( 2.213 5.357 1.316) 5.944 19.071 ( 3.143 7.323 0.723) 8.002 28.016 ( 0.907 -0.379 -1.375) 1.690 28.233 ( 0.168 3.149 1.963) 3.714 30.101 ( -7.482 -5.518 -3.598) 9.968 30.789 ( -2.398 7.770 -1.583) 8.284 30.945 ( -6.978 -7.765 8.600) 13.526 31.469 ( -3.071 -2.794 -2.068) 4.638 31.908 ( 14.333 6.121 -2.113) 15.728 32.419 ( 8.428 11.349 -1.155) 14.183 ======================= Grid point 209 (79/343) ======================= q-point: ( 0.62 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.437 5.068 -1.200) 5.226 1.434 ( -1.523 10.503 -1.775) 10.760 1.535 ( 5.936 -4.484 -1.842) 7.664 1.776 ( -1.202 1.142 0.465) 1.722 2.240 ( 6.192 13.187 0.988) 14.602 2.290 ( 7.102 9.442 -1.747) 11.943 2.631 ( -0.148 0.951 -5.338) 5.424 2.726 ( -1.466 -1.011 2.270) 2.885 2.894 ( -2.291 1.514 -3.109) 4.148 3.135 ( 1.982 -0.758 1.781) 2.770 3.196 ( 1.220 1.628 0.230) 2.048 3.428 ( 4.635 -0.751 3.306) 5.743 3.578 ( 3.878 -1.249 -1.525) 4.350 3.772 ( -3.719 0.438 -6.314) 7.341 4.551 ( 0.224 12.116 3.508) 12.616 4.973 ( 1.878 11.692 -2.287) 12.060 5.187 ( -5.244 -0.336 3.832) 6.504 5.532 ( 2.088 1.753 2.129) 3.459 8.195 ( -15.334 40.584 2.107) 43.435 8.382 ( -12.923 32.568 -1.010) 35.053 8.872 ( 18.804 -38.085 1.243) 42.493 9.234 ( 11.056 -30.961 -2.129) 32.945 10.342 ( 4.945 -0.347 -0.033) 4.957 10.423 ( 3.749 0.376 -0.196) 3.773 12.371 ( -5.050 -17.952 0.273) 18.650 12.418 ( -4.044 -15.173 -0.926) 15.730 16.045 ( 1.949 3.626 0.698) 4.176 16.097 ( 3.921 2.061 -0.555) 4.464 17.314 ( -1.529 -0.817 1.355) 2.201 17.404 ( 1.460 2.924 -0.775) 3.359 17.855 ( -2.183 -2.897 2.018) 4.151 18.028 ( -4.205 -2.458 -2.485) 5.468 19.059 ( 2.066 3.519 0.499) 4.111 19.061 ( 3.188 4.706 0.367) 5.696 27.991 ( 0.393 -0.860 -1.316) 1.620 28.256 ( 0.975 2.573 1.796) 3.286 30.193 ( -8.079 -3.287 -2.502) 9.074 30.867 ( -1.235 6.794 -1.273) 7.022 31.034 ( -2.604 -5.139 8.147) 9.978 31.495 ( -1.479 -2.252 1.030) 2.884 31.698 ( 9.567 3.920 -5.611) 11.764 32.345 ( 5.973 5.100 -0.585) 7.876 ======================= Grid point 210 (80/343) ======================= q-point: (-0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.288 3.138 -0.085) 3.152 1.374 ( 4.644 -5.644 -0.417) 7.321 1.586 ( -5.171 10.920 -0.747) 12.105 1.787 ( 1.842 5.055 1.139) 5.500 2.144 ( 7.504 2.176 -2.140) 8.101 2.321 ( 4.704 20.640 0.594) 21.177 2.637 ( -3.465 -1.165 -2.610) 4.491 2.777 ( -2.336 1.305 2.227) 3.481 2.956 ( -2.533 5.699 -1.486) 6.411 3.105 ( 3.318 0.670 2.568) 4.249 3.170 ( 0.848 -1.417 -1.210) 2.047 3.402 ( 0.155 -0.740 4.405) 4.469 3.526 ( 0.383 -0.499 1.423) 1.556 3.815 ( -3.294 3.911 -8.336) 9.779 4.595 ( 3.601 1.555 6.659) 7.728 4.883 ( 5.077 -7.597 -4.790) 10.317 5.310 ( 2.212 8.881 5.824) 10.848 5.491 ( 1.867 3.831 -3.727) 5.661 8.175 ( 19.791 -40.784 -0.616) 45.337 8.445 ( 12.644 -26.654 0.686) 29.509 8.821 ( -15.293 37.570 1.480) 40.590 9.196 ( -14.223 23.724 -1.400) 27.697 10.276 ( 1.961 -0.523 -0.269) 2.047 10.386 ( 0.955 0.879 0.270) 1.326 12.389 ( -7.625 -9.355 0.957) 12.107 12.428 ( -6.800 -7.809 -1.339) 10.441 16.019 ( 3.385 -0.351 0.187) 3.409 16.048 ( 1.225 0.097 -0.178) 1.242 17.342 ( -0.803 0.736 0.879) 1.399 17.399 ( 1.554 4.319 -0.434) 4.610 17.867 ( -0.746 -1.778 0.204) 1.939 18.074 ( -3.489 -2.301 -0.457) 4.204 19.028 ( 3.133 1.563 0.030) 3.501 19.041 ( 2.216 1.618 0.145) 2.747 27.982 ( -0.928 -1.082 -0.777) 1.624 28.248 ( 2.377 1.409 0.934) 2.917 30.304 ( -6.718 -0.782 -0.889) 6.822 30.911 ( 0.681 5.476 -0.953) 5.600 31.017 ( 5.382 -3.514 4.632) 7.923 31.493 ( -2.269 -5.368 1.231) 5.956 31.618 ( 1.556 6.612 -3.877) 7.821 32.276 ( 3.234 -0.635 -0.258) 3.305 ======================= Grid point 211 (81/343) ======================= q-point: (-0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.020 -3.965 0.925) 4.072 1.320 ( 0.342 0.250 -0.577) 0.716 1.720 ( -1.434 4.480 1.361) 4.897 1.820 ( 0.860 9.237 0.581) 9.295 2.030 ( 7.242 8.507 -1.222) 11.239 2.376 ( 3.961 14.892 0.163) 15.410 2.703 ( -4.328 1.093 -0.446) 4.486 2.825 ( -0.168 1.225 0.710) 1.426 3.036 ( -1.536 4.209 0.456) 4.503 3.052 ( 2.139 0.945 0.820) 2.478 3.165 ( -2.341 -1.262 -0.672) 2.743 3.430 ( -2.721 -3.428 1.043) 4.499 3.596 ( -3.309 3.828 9.190) 10.491 3.847 ( -1.850 5.558 -10.232) 11.791 4.497 ( 8.392 -11.697 9.451) 17.221 4.671 ( 8.224 -9.808 -6.700) 14.447 5.254 ( 7.325 2.735 1.066) 7.892 5.521 ( 0.436 8.716 -2.817) 9.170 7.532 ( 18.110 -40.068 -0.944) 43.980 7.945 ( 15.358 -35.011 0.893) 38.242 9.343 ( -13.763 32.381 -0.012) 35.184 9.676 ( -15.085 27.649 0.172) 31.497 10.269 ( -1.960 -0.214 -0.295) 1.994 10.405 ( -2.086 1.343 0.446) 2.521 12.510 ( -9.696 -2.595 0.311) 10.042 12.540 ( -9.541 1.596 -0.430) 9.683 15.945 ( 3.144 -3.185 -0.284) 4.485 16.034 ( -0.063 -2.004 0.201) 2.015 17.358 ( -0.353 0.466 -0.076) 0.590 17.410 ( 1.315 5.997 0.056) 6.140 17.866 ( -0.178 -0.303 -0.321) 0.476 18.105 ( -1.602 -2.008 0.475) 2.613 18.975 ( 2.727 -1.449 -0.167) 3.093 19.003 ( 2.642 -0.397 -0.114) 2.674 28.002 ( -2.511 -1.087 -0.202) 2.744 28.203 ( 3.601 0.287 0.152) 3.616 30.398 ( -3.049 1.952 0.636) 3.675 30.857 ( 7.683 -4.561 2.152) 9.190 30.932 ( 1.833 4.689 -2.561) 5.648 31.546 ( -6.959 -5.622 1.016) 9.003 31.637 ( 1.565 8.364 -1.081) 8.578 32.218 ( 0.814 -5.843 0.069) 5.900 ======================= Grid point 212 (82/343) ======================= q-point: (-0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 1.979 -0.126 1.124) 2.279 1.306 ( -3.213 -2.719 -0.410) 4.229 1.665 ( 10.199 4.048 -0.075) 10.973 1.873 ( 1.181 8.895 0.463) 8.985 2.020 ( -0.493 0.742 0.303) 0.941 2.384 ( 5.142 9.726 0.257) 11.005 2.776 ( -0.339 2.263 1.069) 2.526 2.788 ( 2.189 0.229 -0.711) 2.313 3.076 ( -3.631 2.334 0.336) 4.329 3.082 ( -0.633 2.615 -0.388) 2.718 3.240 ( -4.827 3.514 -0.009) 5.971 3.459 ( -3.684 -5.052 0.023) 6.253 3.712 ( 1.446 1.428 10.649) 10.841 3.835 ( 1.778 0.356 -10.057) 10.219 4.296 ( 7.710 -11.843 9.524) 17.041 4.383 ( 8.984 -12.341 -6.924) 16.762 5.178 ( 2.564 2.297 -1.304) 3.681 5.517 ( 5.273 6.428 -1.199) 8.400 6.997 ( 11.988 -31.940 -0.632) 34.121 7.469 ( 12.856 -27.744 0.559) 30.583 9.751 ( -10.554 21.927 -0.276) 24.336 10.047 ( -8.252 15.387 0.283) 17.462 10.360 ( -7.658 3.772 -0.061) 8.537 10.481 ( -4.633 2.008 0.314) 5.059 12.694 ( -10.529 4.093 -0.108) 11.297 12.780 ( -12.575 9.259 0.133) 15.617 15.864 ( 2.508 -5.166 -0.228) 5.747 16.022 ( -0.733 -3.709 0.173) 3.785 17.368 ( -0.899 0.019 -0.312) 0.952 17.432 ( 1.490 6.492 0.017) 6.661 17.865 ( 0.744 1.394 -0.177) 1.590 18.105 ( 0.431 -1.639 0.477) 1.761 18.914 ( 1.821 -3.718 -0.174) 4.144 18.940 ( 3.261 -2.280 -0.268) 3.988 28.053 ( -3.911 -0.814 0.256) 4.003 28.131 ( 4.235 -0.489 -0.305) 4.274 30.431 ( 2.852 4.850 0.978) 5.711 30.714 ( 3.396 -7.365 0.506) 8.126 30.925 ( 1.960 5.664 -1.785) 6.253 31.645 ( -4.095 -0.052 1.990) 4.554 31.665 ( -1.486 4.419 -1.631) 4.939 32.160 ( -0.626 -10.870 0.230) 10.891 ======================= Grid point 213 (83/343) ======================= q-point: (-0.08 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 7.394 -0.771 0.000) 7.434 1.315 ( 6.110 -1.673 0.000) 6.334 1.526 ( 5.458 7.678 -0.000) 9.421 1.878 ( 4.289 4.151 -0.000) 5.969 1.973 ( 1.135 -16.527 0.000) 16.566 2.339 ( 5.602 4.232 -0.000) 7.021 2.735 ( 0.300 -0.213 0.000) 0.368 2.817 ( 0.529 3.219 -0.000) 3.262 3.075 ( 2.532 3.118 -0.000) 4.017 3.216 ( -6.670 6.128 -0.000) 9.057 3.345 ( -2.296 5.198 -0.000) 5.682 3.486 ( -3.618 -6.173 0.000) 7.155 3.626 ( 8.233 -12.053 0.000) 14.597 3.647 ( 7.827 -5.968 0.000) 9.843 3.985 ( 16.870 -6.601 0.000) 18.116 4.405 ( -10.692 -0.540 0.000) 10.706 5.182 ( -1.726 1.361 -0.000) 2.198 5.415 ( 9.517 3.791 -0.000) 10.245 6.670 ( 3.620 -20.027 0.000) 20.351 7.115 ( 9.291 -16.911 0.000) 19.296 10.030 ( -7.806 11.678 -0.000) 14.047 10.220 ( -5.105 4.850 -0.000) 7.042 10.555 ( -8.456 5.688 -0.000) 10.191 10.590 ( -5.585 2.003 -0.000) 5.933 12.933 ( -10.939 8.610 -0.000) 13.921 13.094 ( -13.449 12.017 -0.000) 18.036 15.782 ( 2.046 -5.997 0.000) 6.337 16.010 ( -1.116 -4.354 0.000) 4.494 17.392 ( -2.057 -0.033 0.000) 2.058 17.441 ( 2.345 5.099 -0.000) 5.612 17.856 ( 1.889 2.651 -0.000) 3.255 18.076 ( 1.868 -0.791 0.000) 2.029 18.854 ( 3.972 -3.511 0.000) 5.301 18.862 ( 0.541 -4.530 0.000) 4.563 28.048 ( 4.289 -0.745 0.000) 4.354 28.129 ( -4.899 -0.427 0.000) 4.918 30.384 ( 5.975 5.256 -0.000) 7.958 30.637 ( 0.512 -7.083 0.000) 7.101 30.933 ( 1.448 7.219 -0.000) 7.363 31.675 ( 2.987 9.944 -0.000) 10.383 31.767 ( -7.960 -3.871 0.000) 8.851 32.079 ( -0.891 -16.480 0.000) 16.504 ======================= Grid point 216 (84/343) ======================= q-point: ( 0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 17.101 0.000 -0.057) 17.101 0.821 ( 18.053 0.000 10.615) 20.942 1.303 ( 18.602 0.000 11.314) 21.772 1.621 ( 4.771 -0.000 -3.642) 6.002 1.755 ( -1.965 0.000 1.136) 2.269 2.097 ( 4.379 -0.000 -4.718) 6.437 2.789 ( 0.856 -0.000 -4.197) 4.283 2.795 ( 0.487 0.000 0.052) 0.490 2.950 ( 2.416 0.000 2.188) 3.260 3.062 ( 12.077 0.000 -0.012) 12.077 3.285 ( -0.641 -0.000 -2.041) 2.139 3.538 ( -1.770 0.000 3.206) 3.663 3.555 ( -5.005 -0.000 -2.467) 5.580 3.623 ( -4.449 -0.000 0.050) 4.449 3.661 ( 1.539 0.000 8.440) 8.579 4.634 ( -6.222 -0.000 -5.651) 8.405 5.126 ( 10.728 0.000 1.707) 10.863 5.309 ( -0.659 -0.000 -0.655) 0.930 6.655 ( -6.219 0.000 1.020) 6.302 6.790 ( 1.967 0.000 0.152) 1.972 10.314 ( -3.980 0.000 0.168) 3.983 10.433 ( -5.169 -0.000 -0.793) 5.229 10.762 ( -3.628 -0.000 -0.680) 3.691 10.781 ( -2.904 -0.000 -0.380) 2.929 13.375 ( -7.092 0.000 1.311) 7.212 13.600 ( -8.490 -0.000 -1.380) 8.602 15.681 ( 1.100 0.000 1.443) 1.815 15.989 ( -0.990 -0.000 -2.249) 2.458 17.367 ( 3.728 0.000 1.325) 3.957 17.502 ( -2.321 0.000 0.123) 2.324 17.794 ( 2.928 0.000 0.017) 2.928 17.939 ( 5.031 -0.000 -3.983) 6.417 18.784 ( -1.614 0.000 7.993) 8.154 18.858 ( -1.402 0.000 1.435) 2.006 27.934 ( 2.164 0.000 1.724) 2.767 28.271 ( -3.549 -0.000 -2.386) 4.277 30.230 ( 4.863 -0.000 -2.760) 5.592 30.456 ( 2.337 -0.000 -5.297) 5.790 31.154 ( -2.307 0.000 8.240) 8.557 31.707 ( 1.544 -0.000 -2.994) 3.368 31.758 ( 1.553 -0.000 -0.109) 1.557 31.980 ( -4.010 -0.000 -0.841) 4.098 ======================= Grid point 218 (85/343) ======================= q-point: ( 0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 0.000 5.689 18.599) 19.449 0.674 ( 0.000 15.191 14.358) 20.903 1.431 ( 0.000 14.690 -1.586) 14.775 1.733 ( 0.000 57.962 15.082) 59.892 1.754 ( -0.000 -4.019 -2.100) 4.535 2.300 ( 0.000 34.207 -4.452) 34.496 2.652 ( 0.000 6.378 2.928) 7.018 2.798 ( 0.000 3.851 -0.994) 3.978 2.853 ( 0.000 0.670 1.295) 1.458 2.971 ( -0.000 -2.195 -0.528) 2.257 3.326 ( -0.000 -4.661 -0.706) 4.714 3.485 ( -0.000 -8.956 -0.843) 8.996 3.675 ( 0.000 4.483 -0.646) 4.530 3.757 ( 0.000 8.361 -4.439) 9.466 4.145 ( 0.000 1.680 12.131) 12.247 4.387 ( -0.000 -29.692 14.080) 32.861 4.719 ( -0.000 -3.201 -0.876) 3.319 5.220 ( -0.000 -1.383 -9.901) 9.997 6.879 ( 0.000 10.552 0.077) 10.552 6.886 ( 0.000 5.345 1.080) 5.453 10.344 ( -0.000 -5.247 1.153) 5.372 10.491 ( -0.000 -5.076 -1.785) 5.381 10.826 ( 0.000 -0.029 0.301) 0.303 10.838 ( 0.000 -0.016 0.020) 0.026 13.383 ( -0.000 -19.971 0.442) 19.976 13.572 ( -0.000 -21.971 -2.123) 22.073 15.774 ( 0.000 11.940 1.924) 12.094 16.042 ( 0.000 8.438 -3.447) 9.115 17.363 ( 0.000 6.550 -1.060) 6.635 17.521 ( -0.000 -0.373 -2.518) 2.545 17.628 ( -0.000 -7.088 0.705) 7.123 17.647 ( -0.000 -10.144 -0.059) 10.144 18.966 ( 0.000 7.316 2.181) 7.635 19.057 ( 0.000 2.349 3.010) 3.818 27.936 ( 0.000 1.454 3.192) 3.508 28.298 ( -0.000 -0.188 -4.233) 4.237 30.015 ( 0.000 -0.889 2.141) 2.318 30.375 ( -0.000 2.547 -6.347) 6.839 30.796 ( -0.000 -32.003 17.636) 36.541 31.627 ( -0.000 -10.692 -5.530) 12.038 32.116 ( 0.000 15.495 0.624) 15.507 32.437 ( 0.000 55.703 -19.471) 59.008 ======================= Grid point 219 (86/343) ======================= q-point: ( 0.38 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -2.268 8.345 16.073) 18.251 0.953 ( -7.827 15.407 10.719) 20.335 1.506 ( -3.862 4.707 -4.223) 7.410 1.679 ( 2.951 -2.827 -2.233) 4.657 2.252 ( 1.817 45.868 5.878) 46.279 2.434 ( 2.004 28.784 -0.224) 28.855 2.664 ( 5.460 6.043 -0.401) 8.154 2.843 ( 0.641 3.263 1.994) 3.877 2.941 ( -0.139 -1.796 1.213) 2.172 3.093 ( -12.191 26.759 0.135) 29.405 3.272 ( 1.565 -0.920 0.481) 1.879 3.407 ( 0.997 -8.518 -1.301) 8.674 3.667 ( 3.462 3.770 0.126) 5.120 3.777 ( 1.845 7.747 -2.585) 8.373 3.930 ( 10.987 -4.393 14.288) 18.551 4.616 ( 3.885 -6.831 -3.333) 8.536 4.674 ( -20.943 -12.851 6.697) 25.468 5.190 ( -3.597 -2.468 -7.634) 8.792 6.909 ( 2.789 13.586 0.087) 13.870 6.981 ( -0.151 15.376 1.044) 15.412 10.282 ( 2.567 -8.568 1.274) 9.034 10.408 ( 2.900 -7.924 -1.780) 8.624 10.807 ( 2.372 -0.601 0.122) 2.451 10.811 ( 2.801 -0.152 -0.075) 2.807 13.175 ( 3.332 -29.162 1.328) 29.382 13.344 ( 3.072 -29.969 -2.284) 30.212 15.877 ( 0.549 14.567 1.703) 14.677 16.087 ( 0.708 10.777 -3.207) 11.266 17.359 ( 1.763 -0.817 0.847) 2.119 17.487 ( 1.251 -1.868 -2.031) 3.030 17.607 ( -4.786 -10.563 -0.128) 11.597 17.698 ( -9.081 -3.353 -2.225) 9.932 19.023 ( 1.689 9.079 2.102) 9.471 19.059 ( 4.022 6.560 4.571) 8.950 27.973 ( -0.740 1.985 3.266) 3.893 28.261 ( 1.364 0.003 -4.170) 4.387 30.030 ( -1.418 -4.511 0.470) 4.752 30.415 ( -5.591 4.579 -6.283) 9.576 30.749 ( -5.395 -21.361 14.169) 26.195 31.511 ( -0.474 -10.923 -7.989) 13.541 32.217 ( 3.856 17.820 3.276) 18.524 32.563 ( 11.595 39.259 -12.777) 42.883 ======================= Grid point 220 (87/343) ======================= q-point: ( 0.46 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -5.160 8.077 9.606) 13.570 1.239 ( -6.435 15.186 6.447) 17.708 1.540 ( 1.711 0.678 -5.956) 6.234 1.643 ( -3.429 -0.280 -0.448) 3.470 2.328 ( 5.347 11.567 -0.162) 12.744 2.561 ( 10.797 20.940 0.956) 23.579 2.613 ( 2.998 5.511 -4.452) 7.693 2.832 ( 2.136 -1.322 1.509) 2.930 3.025 ( -1.590 6.910 3.070) 7.727 3.192 ( 0.917 -2.441 0.568) 2.669 3.318 ( 2.379 -5.007 -0.567) 5.572 3.521 ( -4.480 24.818 -0.489) 25.224 3.678 ( 0.786 8.535 0.264) 8.575 3.819 ( -1.535 11.321 5.928) 12.871 3.889 ( 1.989 10.399 3.520) 11.157 4.435 ( 6.146 0.578 -8.285) 10.332 4.980 ( -16.841 -9.703 5.438) 20.182 5.230 ( -6.403 -2.845 -2.376) 7.399 7.006 ( -0.272 21.842 -0.166) 21.845 7.143 ( -2.899 22.766 0.903) 22.968 10.136 ( 6.098 -13.912 1.730) 15.288 10.258 ( 5.096 -12.063 -1.916) 13.235 10.728 ( 5.514 -1.482 -0.190) 5.713 10.738 ( 5.030 -0.966 -0.218) 5.127 12.896 ( 3.432 -32.414 1.206) 32.618 13.039 ( 3.947 -33.501 -1.730) 33.777 15.967 ( 1.629 13.595 1.318) 13.756 16.131 ( 1.630 10.896 -2.193) 11.233 17.322 ( -0.149 -6.079 0.969) 6.157 17.446 ( 0.487 -2.504 -0.938) 2.718 17.653 ( -6.933 -7.163 0.426) 9.978 17.820 ( -7.535 -1.466 -2.698) 8.136 19.053 ( 3.305 9.660 1.999) 10.404 19.070 ( 3.254 7.628 3.438) 8.978 28.016 ( -0.572 1.794 2.361) 3.020 28.219 ( 1.279 1.032 -2.779) 3.229 30.012 ( -2.542 -7.483 -1.679) 8.079 30.538 ( -5.602 8.268 -5.073) 11.202 30.808 ( -8.129 -15.918 11.629) 21.323 31.426 ( -2.816 -8.865 -7.664) 12.052 32.238 ( 9.832 15.520 3.440) 18.692 32.525 ( 12.431 27.293 -5.963) 30.578 ======================= Grid point 221 (88/343) ======================= q-point: ( 0.54 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -3.322 7.478 3.398) 8.860 1.395 ( 2.857 6.539 -2.878) 7.694 1.529 ( -4.607 6.799 1.014) 8.275 1.705 ( -2.085 -0.268 -0.545) 2.172 2.301 ( 7.175 12.841 -0.013) 14.709 2.474 ( 6.364 1.508 -2.040) 6.851 2.577 ( 4.935 12.477 -2.536) 13.655 2.783 ( 1.599 -4.262 1.207) 4.710 2.996 ( 3.162 -6.840 -2.351) 7.893 3.186 ( -0.661 -1.069 1.781) 2.180 3.246 ( 3.020 -1.570 0.178) 3.409 3.608 ( 3.041 6.560 -2.057) 7.518 3.662 ( 4.266 3.056 0.549) 5.276 3.873 ( 5.002 -2.175 -0.696) 5.499 4.129 ( -6.439 29.861 2.531) 30.652 4.475 ( -3.448 27.290 -2.882) 27.657 5.144 ( -8.408 -11.872 1.797) 14.659 5.374 ( -9.083 1.402 2.964) 9.656 7.248 ( -6.104 30.812 1.120) 31.431 7.431 ( -8.227 30.696 -0.481) 31.783 9.873 ( 10.660 -22.320 2.390) 24.850 10.022 ( 7.967 -19.749 -2.437) 21.434 10.596 ( 7.454 -1.799 -0.113) 7.669 10.624 ( 6.473 -0.960 -0.443) 6.559 12.632 ( 1.091 -30.045 -0.114) 30.065 12.740 ( 2.401 -31.350 -0.484) 31.446 16.024 ( 2.290 10.606 0.851) 10.884 16.153 ( 2.901 8.773 -1.056) 9.301 17.298 ( -1.426 -5.535 0.734) 5.762 17.423 ( 0.243 -1.527 -0.639) 1.673 17.743 ( -7.111 -5.176 1.906) 9.000 17.906 ( -4.905 -1.407 -2.813) 5.827 19.070 ( 3.225 8.587 1.591) 9.310 19.077 ( 3.237 7.045 1.532) 7.903 28.029 ( 0.849 0.332 0.073) 0.915 28.216 ( -0.136 2.981 0.092) 2.986 30.015 ( -5.273 -7.461 -2.611) 9.502 30.664 ( -4.022 8.717 -2.790) 9.997 30.917 ( -8.374 -11.158 9.299) 16.766 31.406 ( -4.761 -5.948 -5.661) 9.492 32.117 ( 15.159 10.597 1.007) 18.523 32.470 ( 10.083 18.991 -2.068) 21.601 ======================= Grid point 222 (89/343) ======================= q-point: ( 0.62 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -0.838 6.767 0.037) 6.819 1.349 ( 2.295 7.115 -4.583) 8.769 1.651 ( 1.971 -0.216 1.619) 2.560 1.710 ( -3.233 1.840 -0.557) 3.761 2.265 ( 9.139 18.341 0.968) 20.514 2.363 ( 4.608 -1.491 -2.439) 5.422 2.587 ( 2.487 10.674 -3.099) 11.390 2.742 ( -0.071 -4.519 1.496) 4.761 2.879 ( 0.879 -7.085 -3.299) 7.865 3.182 ( 0.952 -2.991 0.445) 3.170 3.208 ( 1.865 3.158 1.554) 3.983 3.540 ( 5.705 0.549 1.295) 5.876 3.621 ( 3.581 5.085 -3.305) 7.043 3.748 ( 1.760 -7.182 -2.301) 7.744 4.414 ( -2.921 22.669 1.774) 22.925 4.770 ( -4.075 31.331 -0.534) 31.599 5.177 ( -5.669 -14.233 1.718) 15.416 5.526 ( -3.295 2.970 3.020) 5.367 7.670 ( -12.348 38.249 2.103) 40.248 7.862 ( -13.302 37.105 -1.515) 39.447 9.454 ( 16.165 -32.213 2.060) 36.100 9.661 ( 11.313 -29.520 -2.315) 31.698 10.454 ( 7.042 -0.982 0.078) 7.110 10.506 ( 5.816 -0.107 -0.428) 5.832 12.448 ( -2.666 -24.372 -0.612) 24.525 12.520 ( -0.296 -24.427 0.041) 24.429 16.049 ( 2.239 6.879 0.561) 7.256 16.139 ( 3.923 5.535 -0.468) 6.800 17.303 ( -1.849 -2.850 0.961) 3.530 17.407 ( 0.740 0.539 -0.774) 1.199 17.836 ( -4.813 -3.738 3.366) 6.962 17.951 ( -4.100 -2.293 -3.674) 5.963 19.072 ( 2.612 5.036 0.850) 5.736 19.078 ( 3.296 7.363 0.536) 8.085 28.004 ( 1.166 -0.582 -0.874) 1.569 28.250 ( -0.110 3.534 1.282) 3.761 30.069 ( -7.634 -5.791 -2.282) 9.850 30.773 ( -2.824 7.831 -1.235) 8.416 31.031 ( -6.700 -7.606 7.215) 12.441 31.443 ( -4.937 -2.479 -2.807) 6.197 31.889 ( 16.013 5.261 -1.505) 16.922 32.409 ( 8.333 11.969 -0.703) 14.601 ======================= Grid point 223 (90/343) ======================= q-point: ( 0.69 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.389 5.358 -0.634) 5.410 1.410 ( -3.195 12.070 -2.222) 12.682 1.527 ( 6.953 -5.560 -0.115) 8.903 1.780 ( -1.441 1.208 0.229) 1.894 2.244 ( 4.876 0.639 -0.239) 4.924 2.279 ( 7.826 20.133 -0.393) 21.604 2.589 ( -0.185 1.647 -2.620) 3.100 2.749 ( -2.001 -1.518 1.881) 3.138 2.866 ( -2.322 2.765 -2.222) 4.240 3.152 ( 0.769 -1.907 1.326) 2.447 3.196 ( 2.897 3.251 -0.183) 4.358 3.468 ( 3.832 0.054 4.064) 5.586 3.556 ( 3.355 1.038 -2.667) 4.410 3.714 ( -2.726 -2.085 -4.135) 5.374 4.581 ( -0.132 14.654 2.007) 14.791 4.953 ( 2.328 9.490 -1.366) 9.866 5.221 ( -6.787 -1.281 2.492) 7.342 5.547 ( 4.059 2.127 0.869) 4.664 8.214 ( -14.894 39.458 1.325) 42.196 8.373 ( -13.458 34.402 -0.686) 36.947 8.883 ( 19.516 -37.650 0.760) 42.415 9.215 ( 10.529 -32.011 -1.284) 33.723 10.341 ( 4.968 -0.612 -0.032) 5.006 10.422 ( 3.653 0.716 -0.094) 3.724 12.374 ( -5.697 -17.563 0.254) 18.465 12.409 ( -3.529 -15.742 -0.622) 16.145 16.052 ( 1.705 3.333 0.497) 3.777 16.092 ( 4.162 2.257 -0.414) 4.753 17.327 ( -1.348 -0.329 1.012) 1.718 17.396 ( 1.246 2.642 -0.714) 3.007 17.874 ( -0.857 -2.780 1.548) 3.295 18.005 ( -5.534 -2.672 -1.780) 6.398 19.063 ( 2.234 3.481 0.273) 4.145 19.064 ( 3.309 4.644 0.205) 5.706 27.980 ( 0.282 -1.013 -0.673) 1.249 28.270 ( 1.206 2.794 0.941) 3.185 30.173 ( -8.517 -3.379 -1.286) 9.253 30.857 ( -1.191 6.744 -0.699) 6.884 31.106 ( -2.414 -5.193 5.235) 7.759 31.504 ( -2.760 0.503 0.659) 2.882 31.645 ( 10.710 1.128 -4.039) 11.502 32.340 ( 5.996 5.409 -0.311) 8.081 ======================= Grid point 224 (91/343) ======================= q-point: (-0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.182 3.739 -0.047) 3.744 1.371 ( 4.922 -6.109 -0.185) 7.847 1.580 ( -6.058 11.756 -0.248) 13.227 1.796 ( 1.474 4.965 0.414) 5.196 2.128 ( 7.363 1.487 -0.791) 7.553 2.325 ( 4.911 20.624 0.204) 21.202 2.619 ( -4.302 -1.391 -0.872) 4.604 2.794 ( -2.401 0.077 0.865) 2.553 2.945 ( -2.644 7.384 -0.555) 7.863 3.130 ( 3.946 1.219 1.986) 4.583 3.155 ( 0.403 -1.646 -1.513) 2.272 3.438 ( 0.251 -3.647 1.887) 4.114 3.547 ( -1.083 5.360 2.005) 5.824 3.739 ( -2.573 1.191 -4.936) 5.693 4.651 ( 2.782 7.131 3.197) 8.295 4.842 ( 5.953 -11.613 -2.470) 13.281 5.372 ( -0.415 8.374 5.570) 10.065 5.444 ( 5.430 2.865 -4.782) 7.782 8.171 ( 20.044 -40.880 -0.215) 45.530 8.450 ( 12.500 -26.294 0.238) 29.115 8.832 ( -14.582 37.402 0.561) 40.148 9.185 ( -15.015 23.728 -0.533) 28.085 10.274 ( 1.989 -0.664 -0.098) 2.100 10.388 ( 0.864 1.065 0.099) 1.375 12.400 ( -7.696 -9.513 1.055) 12.282 12.414 ( -6.865 -7.800 -1.193) 10.459 16.021 ( 3.862 -0.609 0.075) 3.910 16.047 ( 0.789 0.313 -0.072) 0.852 17.349 ( -0.455 0.636 0.379) 0.869 17.395 ( 1.384 4.627 -0.220) 4.834 17.868 ( -0.323 -1.915 0.065) 1.943 18.071 ( -4.075 -2.269 -0.154) 4.667 19.028 ( 3.234 1.539 0.011) 3.581 19.042 ( 2.312 1.611 0.050) 2.818 27.977 ( -1.140 -1.263 -0.266) 1.722 28.254 ( 2.702 1.607 0.322) 3.160 30.298 ( -7.303 -0.836 -0.294) 7.356 30.903 ( 0.626 5.764 -0.438) 5.814 31.053 ( 7.398 -3.497 1.923) 8.406 31.503 ( -1.543 -5.216 0.582) 5.470 31.587 ( -0.630 6.215 -1.721) 6.480 32.275 ( 3.147 -0.588 -0.092) 3.203 ======================= Grid point 225 (92/343) ======================= q-point: (-0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.231 -4.913 0.000) 4.918 1.316 ( 0.352 1.355 -0.000) 1.399 1.728 ( -1.915 3.995 -0.000) 4.430 1.823 ( 1.285 9.549 -0.000) 9.635 2.023 ( 6.912 8.708 -0.000) 11.118 2.377 ( 4.083 15.204 -0.000) 15.742 2.701 ( -4.696 1.044 -0.000) 4.811 2.828 ( -0.248 0.482 -0.000) 0.543 3.039 ( -2.163 5.802 -0.000) 6.193 3.056 ( 3.111 -0.354 0.000) 3.131 3.161 ( -2.480 -1.182 0.000) 2.747 3.435 ( -2.520 -4.229 0.000) 4.923 3.675 ( -5.878 7.476 -0.000) 9.510 3.762 ( -0.157 2.786 -0.000) 2.791 4.586 ( 8.340 -19.267 0.000) 20.995 4.597 ( 8.146 -1.166 0.000) 8.228 5.261 ( 8.455 1.257 -0.000) 8.548 5.505 ( 0.111 9.402 -0.000) 9.402 7.527 ( 18.204 -40.158 0.000) 44.091 7.950 ( 15.309 -34.876 0.000) 38.088 9.343 ( -13.558 32.272 -0.000) 35.004 9.677 ( -15.306 27.753 -0.000) 31.693 10.267 ( -1.964 -0.256 0.000) 1.981 10.408 ( -2.125 1.415 -0.000) 2.552 12.512 ( -9.439 -3.060 0.000) 9.923 12.538 ( -9.878 1.987 -0.000) 10.076 15.944 ( 3.203 -3.201 0.000) 4.528 16.035 ( -0.099 -1.987 0.000) 1.989 17.358 ( -0.199 0.337 -0.000) 0.392 17.410 ( 1.319 6.159 -0.000) 6.299 17.865 ( -0.141 -0.336 0.000) 0.364 18.108 ( -1.767 -1.979 0.000) 2.653 18.974 ( 2.773 -1.475 0.000) 3.141 19.002 ( 2.727 -0.396 0.000) 2.756 28.001 ( -2.701 -1.238 0.000) 2.971 28.204 ( 3.832 0.454 -0.000) 3.859 30.401 ( -3.534 1.846 -0.000) 3.987 30.870 ( 8.652 -4.926 0.000) 9.957 30.917 ( 1.830 5.327 -0.000) 5.633 31.552 ( -7.133 -5.689 0.000) 9.124 31.631 ( 1.286 8.326 -0.000) 8.424 32.218 ( 0.700 -5.886 0.000) 5.928 ======================= Grid point 229 (93/343) ======================= q-point: ( 0.15 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 13.207 -1.875 -1.596) 13.435 1.175 ( 15.185 1.484 7.516) 17.009 1.557 ( 0.745 4.530 0.275) 4.599 1.713 ( 7.703 -10.664 -2.111) 13.323 1.800 ( 2.919 -11.395 0.759) 11.788 2.177 ( 5.424 -3.362 -5.469) 8.404 2.737 ( -1.850 2.830 -2.493) 4.201 2.809 ( 0.547 -0.619 -0.412) 0.923 3.054 ( 6.542 2.747 3.051) 7.724 3.268 ( 2.642 1.661 -2.962) 4.302 3.307 ( 8.155 -4.016 -0.539) 9.107 3.424 ( -3.800 0.510 -2.164) 4.402 3.516 ( -3.257 -0.411 0.877) 3.398 3.601 ( -1.066 -8.848 2.803) 9.342 3.760 ( 6.419 0.888 3.480) 7.355 4.449 ( -9.050 0.290 -9.036) 12.792 5.304 ( 2.294 2.478 3.638) 4.964 5.322 ( 8.317 1.404 3.855) 9.274 6.605 ( -2.780 -8.387 2.255) 9.119 6.872 ( 5.040 -7.495 -1.769) 9.203 10.217 ( -5.619 4.332 0.771) 7.136 10.327 ( -5.377 1.957 -0.700) 5.765 10.678 ( -5.011 0.962 -0.909) 5.183 10.697 ( -5.621 2.161 -0.730) 6.066 13.197 ( -10.065 7.822 1.214) 12.805 13.378 ( -11.785 8.391 -1.515) 14.547 15.732 ( 1.628 -4.373 1.655) 4.951 15.975 ( -0.799 -3.494 -2.048) 4.129 17.430 ( 3.067 2.273 1.084) 3.968 17.462 ( -2.207 0.729 1.280) 2.654 17.837 ( 2.809 2.143 0.306) 3.546 17.990 ( 3.236 0.294 -2.828) 4.308 18.829 ( 1.261 -2.701 4.134) 5.096 18.857 ( -0.797 -3.253 1.632) 3.726 27.990 ( 2.914 -0.477 1.354) 3.249 28.192 ( -3.991 -0.347 -1.756) 4.374 30.286 ( 5.198 5.447 -1.987) 7.787 30.493 ( 2.385 -6.000 -4.637) 7.949 31.119 ( -0.498 9.785 8.723) 13.119 31.656 ( 1.350 9.199 -2.448) 9.615 31.859 ( -3.359 -9.322 -0.894) 9.949 31.941 ( -1.645 -13.776 -1.449) 13.950 ======================= Grid point 230 (94/343) ======================= q-point: ( 0.23 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 12.133 0.000 7.635) 14.335 0.945 ( 16.333 0.000 12.738) 20.713 1.416 ( 13.420 0.000 9.795) 16.614 1.575 ( 3.061 -0.000 -5.055) 5.909 1.767 ( -2.090 0.000 1.163) 2.391 2.033 ( 4.653 -0.000 -7.228) 8.596 2.754 ( 1.038 -0.000 -2.331) 2.552 2.794 ( 0.263 -0.000 -0.400) 0.479 2.977 ( 3.345 0.000 2.841) 4.388 3.064 ( 11.575 0.000 0.273) 11.578 3.273 ( -1.715 -0.000 -0.451) 1.773 3.521 ( -5.468 -0.000 -3.875) 6.702 3.564 ( -1.140 0.000 1.993) 2.296 3.624 ( -2.848 0.000 0.153) 2.852 3.761 ( -2.690 0.000 10.214) 10.562 4.562 ( -8.538 -0.000 -7.921) 11.647 5.147 ( 12.427 0.000 2.247) 12.628 5.301 ( 2.481 -0.000 -1.035) 2.688 6.668 ( -5.617 0.000 1.435) 5.798 6.788 ( 0.719 -0.000 -0.475) 0.861 10.318 ( -3.822 0.000 0.584) 3.866 10.422 ( -4.942 -0.000 -1.161) 5.077 10.756 ( -3.868 -0.000 -0.422) 3.891 10.777 ( -3.163 -0.000 -0.487) 3.200 13.392 ( -7.269 0.000 1.880) 7.509 13.582 ( -8.452 -0.000 -1.976) 8.680 15.700 ( 1.043 0.000 2.221) 2.454 15.961 ( -0.684 -0.000 -3.100) 3.174 17.384 ( 3.537 0.000 1.811) 3.974 17.502 ( -1.335 -0.000 -0.270) 1.362 17.794 ( 3.029 0.000 0.119) 3.032 17.899 ( 5.690 -0.000 -3.406) 6.631 18.859 ( -3.172 0.000 6.057) 6.837 18.875 ( -1.488 0.000 1.870) 2.390 27.957 ( 1.795 0.000 2.520) 3.094 28.241 ( -3.026 -0.000 -3.312) 4.486 30.205 ( 5.620 -0.000 -1.890) 5.929 30.397 ( 2.488 -0.000 -5.699) 6.219 31.250 ( -2.263 0.000 9.838) 10.095 31.681 ( 0.357 -0.000 -1.903) 1.936 31.757 ( 1.302 -0.000 -0.126) 1.308 31.958 ( -3.064 -0.000 -3.224) 4.448 ======================= Grid point 232 (95/343) ======================= q-point: ( 0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 6.794 17.849) 19.098 0.819 ( 0.000 14.751 13.046) 19.692 1.406 ( 0.000 5.474 -2.777) 6.138 1.712 ( -0.000 -4.946 -6.186) 7.920 1.895 ( 0.000 56.869 15.076) 58.834 2.263 ( 0.000 35.154 -2.603) 35.250 2.681 ( 0.000 8.118 2.557) 8.511 2.784 ( 0.000 4.730 -1.558) 4.980 2.870 ( 0.000 -0.068 1.877) 1.878 2.963 ( -0.000 -2.069 -0.985) 2.292 3.321 ( -0.000 -4.373 -0.168) 4.376 3.469 ( -0.000 -8.939 -2.350) 9.243 3.669 ( 0.000 3.805 -0.582) 3.850 3.712 ( 0.000 8.121 -3.893) 9.006 4.286 ( 0.000 1.144 14.522) 14.567 4.502 ( -0.000 -20.503 8.454) 22.178 4.708 ( -0.000 -4.505 -1.275) 4.682 5.101 ( -0.000 -1.060 -12.550) 12.594 6.880 ( 0.000 10.260 0.138) 10.261 6.892 ( 0.000 6.772 0.150) 6.773 10.358 ( -0.000 -5.201 1.528) 5.421 10.470 ( -0.000 -4.994 -2.167) 5.444 10.829 ( 0.000 -0.048 0.315) 0.319 10.838 ( -0.000 -0.053 -0.004) 0.054 13.396 ( -0.000 -21.022 1.922) 21.109 13.547 ( -0.000 -22.025 -2.639) 22.182 15.799 ( 0.000 11.199 2.760) 11.534 16.002 ( 0.000 8.820 -4.023) 9.695 17.364 ( 0.000 4.058 1.018) 4.184 17.493 ( -0.000 -0.007 -2.740) 2.740 17.634 ( -0.000 -7.626 0.508) 7.643 17.646 ( -0.000 -9.880 -0.080) 9.880 18.991 ( 0.000 7.433 2.422) 7.818 19.074 ( 0.000 5.240 0.522) 5.266 27.975 ( 0.000 1.267 4.098) 4.289 28.249 ( -0.000 0.008 -5.070) 5.070 30.041 ( 0.000 -0.589 2.935) 2.993 30.305 ( -0.000 2.551 -6.717) 7.185 30.969 ( -0.000 -31.227 15.318) 34.782 31.560 ( -0.000 -15.305 -7.276) 16.946 32.124 ( 0.000 20.321 0.872) 20.339 32.290 ( 0.000 45.746 -9.689) 46.761 ======================= Grid point 233 (96/343) ======================= q-point: ( 0.46 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.207 6.836 17.335) 18.635 1.061 ( -5.416 15.119 9.648) 18.735 1.455 ( -3.350 4.448 -5.487) 7.817 1.636 ( 0.433 -4.232 -5.778) 7.175 2.301 ( 5.214 32.307 3.495) 32.911 2.445 ( 3.181 40.098 1.988) 40.273 2.659 ( 6.273 4.788 -0.596) 7.914 2.865 ( 0.724 3.216 1.949) 3.830 2.954 ( -1.798 0.704 1.085) 2.215 3.099 ( -12.145 26.651 0.991) 29.304 3.277 ( 0.822 -0.631 0.557) 1.176 3.388 ( 0.783 -8.167 -2.453) 8.564 3.663 ( 2.848 4.864 -0.636) 5.672 3.746 ( 0.239 7.318 -2.675) 7.796 4.083 ( 13.211 -5.191 14.385) 20.209 4.558 ( 8.715 -5.791 -6.897) 12.532 4.755 ( -20.189 -11.091 7.942) 24.365 5.104 ( -7.226 -2.936 -8.455) 11.503 6.909 ( 3.096 13.505 -0.010) 13.855 6.990 ( -0.451 15.625 0.598) 15.643 10.297 ( 2.629 -8.398 1.669) 8.957 10.387 ( 2.762 -7.913 -2.113) 8.643 10.808 ( 2.586 -0.555 0.107) 2.647 10.811 ( 2.828 -0.229 -0.020) 2.838 13.194 ( 3.213 -29.543 2.080) 29.790 13.318 ( 2.849 -29.899 -2.620) 30.148 15.899 ( 0.678 13.642 2.376) 13.864 16.052 ( 0.358 11.400 -3.456) 11.918 17.372 ( 1.141 -1.700 1.416) 2.489 17.466 ( 0.779 -1.350 -2.031) 2.560 17.607 ( -4.872 -11.016 0.052) 12.045 17.679 ( -7.933 -3.577 -1.381) 8.811 19.045 ( 2.066 9.066 2.008) 9.512 19.093 ( 3.014 7.580 1.958) 8.389 28.011 ( -0.389 1.655 3.939) 4.290 28.214 ( 0.884 0.393 -4.699) 4.797 30.040 ( 0.448 -4.411 1.304) 4.622 30.351 ( -5.921 5.292 -5.645) 9.743 30.897 ( -4.161 -22.196 13.713) 26.420 31.419 ( -1.853 -14.341 -9.300) 17.193 32.251 ( 4.379 21.295 3.304) 21.991 32.454 ( 8.018 35.573 -8.310) 37.400 ======================= Grid point 234 (97/343) ======================= q-point: ( 0.54 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -1.391 5.206 12.209) 13.346 1.300 ( -4.492 14.442 4.939) 15.910 1.464 ( 1.139 2.253 -8.369) 8.741 1.634 ( -4.652 -0.790 -1.198) 4.869 2.331 ( 7.072 14.977 0.683) 16.576 2.565 ( 6.469 2.738 -1.171) 7.121 2.574 ( 7.960 21.433 -1.764) 22.931 2.846 ( 2.061 -1.768 1.085) 2.924 3.051 ( 0.039 4.666 1.747) 4.983 3.206 ( 0.593 -2.155 1.864) 2.910 3.306 ( 1.703 -4.759 -1.770) 5.355 3.521 ( -2.911 24.642 0.302) 24.815 3.679 ( 1.190 9.340 0.045) 9.415 3.832 ( -4.427 17.832 -0.775) 18.389 3.975 ( 5.756 1.337 10.159) 11.752 4.341 ( 6.042 3.961 -9.303) 11.779 5.035 ( -14.409 -9.518 4.802) 17.924 5.203 ( -10.258 -2.888 -2.773) 11.012 7.005 ( -0.751 21.406 -0.068) 21.419 7.151 ( -2.386 23.234 0.540) 23.363 10.155 ( 5.993 -13.526 1.958) 14.924 10.236 ( 5.077 -12.365 -2.106) 13.532 10.726 ( 5.659 -1.392 -0.120) 5.829 10.737 ( 5.155 -0.958 -0.117) 5.245 12.910 ( 3.978 -32.912 1.213) 33.173 13.021 ( 3.381 -33.133 -1.557) 33.341 15.982 ( 1.768 12.773 1.370) 12.968 16.109 ( 1.160 11.652 -1.928) 11.867 17.332 ( -0.078 -6.618 0.761) 6.662 17.438 ( 0.170 -2.290 -0.697) 2.400 17.657 ( -7.697 -7.593 0.380) 10.818 17.796 ( -7.188 -1.113 -1.771) 7.486 19.069 ( 3.346 9.692 1.146) 10.317 19.101 ( 3.598 7.492 2.158) 8.587 28.041 ( 0.432 1.060 2.229) 2.505 28.190 ( 0.037 1.932 -2.550) 3.199 29.999 ( -1.487 -7.680 -0.861) 7.870 30.493 ( -6.449 8.107 -3.419) 10.909 30.927 ( -6.471 -15.195 10.710) 19.684 31.341 ( -4.983 -11.325 -8.200) 14.844 32.271 ( 11.409 17.173 2.629) 20.784 32.472 ( 9.905 26.691 -4.012) 28.751 ======================= Grid point 235 (98/343) ======================= q-point: ( 0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.390 5.182 5.490) 7.560 1.347 ( 4.163 4.540 -5.619) 8.338 1.542 ( -6.152 9.242 1.264) 11.174 1.700 ( -1.953 -0.098 -0.275) 1.975 2.305 ( 8.794 16.784 0.542) 18.957 2.449 ( 4.255 -4.359 -2.315) 6.517 2.561 ( 6.933 16.720 -0.758) 18.116 2.794 ( 1.596 -4.088 0.726) 4.448 2.977 ( 3.802 -9.229 -1.257) 10.060 3.206 ( -0.041 -0.631 2.046) 2.141 3.242 ( 2.123 -1.381 -0.933) 2.699 3.590 ( 3.367 6.982 -1.250) 7.852 3.668 ( 5.022 3.251 0.434) 5.998 3.864 ( 6.273 -4.944 -0.760) 8.023 4.155 ( -6.451 28.112 2.052) 28.915 4.448 ( -4.509 31.554 -1.996) 31.937 5.159 ( -8.132 -12.437 1.011) 14.894 5.398 ( -10.351 1.587 1.557) 10.587 7.258 ( -7.088 30.434 0.674) 31.256 7.427 ( -7.252 31.138 -0.313) 31.973 9.897 ( 10.724 -21.853 2.038) 24.428 9.998 ( 7.910 -20.279 -2.071) 21.865 10.595 ( 7.370 -1.699 -0.074) 7.564 10.621 ( 6.648 -0.891 -0.219) 6.711 12.631 ( 1.478 -30.607 -0.054) 30.643 12.736 ( 2.054 -30.907 -0.281) 30.977 16.032 ( 2.270 10.043 0.571) 10.313 16.144 ( 2.702 9.318 -0.672) 9.725 17.305 ( -1.433 -5.318 0.435) 5.525 17.417 ( 0.108 -2.087 -0.393) 2.127 17.761 ( -8.166 -5.101 1.400) 9.730 17.881 ( -4.181 -1.307 -1.873) 4.764 19.081 ( 3.421 9.137 0.584) 9.774 19.093 ( 3.601 6.211 1.075) 7.259 28.029 ( 1.568 -0.138 -0.002) 1.574 28.217 ( -1.024 3.638 0.083) 3.780 29.994 ( -4.974 -7.708 -1.343) 9.271 30.641 ( -4.837 8.498 -1.532) 9.898 31.005 ( -6.912 -10.276 6.879) 14.167 31.348 ( -6.904 -7.274 -4.981) 11.197 32.125 ( 16.413 10.928 0.494) 19.725 32.453 ( 9.366 19.368 -1.017) 21.538 ======================= Grid point 236 (99/343) ======================= q-point: ( 0.69 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.471 5.415 0.829) 5.498 1.308 ( 1.475 8.151 -2.643) 8.695 1.665 ( 3.913 -2.531 0.769) 4.723 1.705 ( -4.774 3.721 -0.303) 6.061 2.274 ( 10.048 21.848 0.570) 24.055 2.342 ( 2.950 -5.394 -1.246) 6.273 2.566 ( 3.784 11.760 -0.943) 12.390 2.754 ( -0.320 -3.972 0.762) 4.057 2.854 ( 0.804 -7.870 -1.350) 8.025 3.186 ( 0.808 -3.017 0.205) 3.130 3.220 ( 2.186 3.530 0.563) 4.190 3.552 ( 3.937 2.531 0.941) 4.774 3.593 ( 5.121 3.471 -1.831) 6.452 3.732 ( 2.149 -7.345 -0.703) 7.686 4.427 ( -2.955 22.485 0.667) 22.688 4.766 ( -3.957 31.772 -0.266) 32.018 5.190 ( -6.334 -14.854 0.656) 16.161 5.548 ( -3.026 3.224 1.031) 4.540 7.687 ( -12.765 37.927 0.874) 40.027 7.850 ( -12.880 37.560 -0.661) 39.713 9.471 ( 16.679 -32.015 0.904) 36.110 9.643 ( 10.884 -29.844 -0.998) 31.783 10.455 ( 6.978 -1.106 0.027) 7.065 10.503 ( 5.854 0.107 -0.150) 5.856 12.444 ( -2.740 -24.454 -0.215) 24.608 12.520 ( -0.253 -24.442 0.009) 24.443 16.053 ( 2.132 6.554 0.219) 6.895 16.136 ( 3.959 5.809 -0.183) 7.032 17.310 ( -1.882 -2.375 0.403) 3.057 17.401 ( 0.649 -0.009 -0.347) 0.736 17.873 ( -5.159 -3.342 3.549) 7.098 17.912 ( -3.771 -2.628 -3.647) 5.867 19.078 ( 2.817 4.902 0.294) 5.661 19.082 ( 3.385 7.350 0.195) 8.095 27.998 ( 1.279 -0.680 -0.300) 1.479 28.259 ( -0.237 3.735 0.445) 3.769 30.053 ( -7.712 -5.918 -0.780) 9.752 30.764 ( -3.104 7.774 -0.448) 8.382 31.087 ( -6.268 -7.506 3.080) 10.252 31.417 ( -6.281 -2.289 -1.555) 6.863 31.878 ( 16.994 4.831 -0.533) 17.675 32.404 ( 8.310 12.301 -0.232) 14.847 ======================= Grid point 237 (100/343) ======================= q-point: (-0.23 -0.69 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.396 5.440 -0.000) 5.454 1.397 ( -3.633 12.193 -0.000) 12.723 1.527 ( 7.075 -5.495 0.000) 8.958 1.781 ( -1.521 1.228 -0.000) 1.955 2.241 ( 4.326 -4.241 0.000) 6.058 2.278 ( 8.131 24.360 -0.000) 25.681 2.576 ( -0.155 1.936 -0.000) 1.942 2.760 ( -2.253 -2.070 0.000) 3.059 2.853 ( -2.271 3.602 -0.000) 4.258 3.160 ( -0.169 -2.914 0.000) 2.919 3.194 ( 4.023 4.418 -0.000) 5.975 3.502 ( 3.163 -1.873 0.000) 3.676 3.529 ( 3.274 4.740 -0.000) 5.760 3.692 ( -2.066 -3.673 0.000) 4.214 4.592 ( -0.299 15.548 -0.000) 15.551 4.946 ( 2.501 8.816 -0.000) 9.164 5.235 ( -7.492 -1.771 0.000) 7.698 5.552 ( 4.896 2.303 -0.000) 5.410 8.221 ( -14.690 38.902 -0.000) 41.583 8.369 ( -13.704 35.231 -0.000) 37.802 8.887 ( 19.820 -37.472 0.000) 42.391 9.208 ( 10.300 -32.429 0.000) 34.025 10.341 ( 4.976 -0.706 0.000) 5.026 10.421 ( 3.619 0.837 -0.000) 3.715 12.375 ( -6.079 -17.360 0.000) 18.393 12.406 ( -3.195 -16.010 0.000) 16.326 16.055 ( 1.537 3.197 -0.000) 3.548 16.089 ( 4.329 2.358 -0.000) 4.930 17.333 ( -1.287 -0.124 0.000) 1.293 17.392 ( 1.167 2.509 -0.000) 2.767 17.883 ( -0.028 -2.693 0.000) 2.693 17.995 ( -6.359 -2.791 0.000) 6.944 19.064 ( 2.270 3.425 -0.000) 4.108 19.065 ( 3.376 4.664 -0.000) 5.758 27.977 ( 0.246 -1.064 0.000) 1.092 28.275 ( 1.285 2.869 -0.000) 3.143 30.166 ( -8.667 -3.404 0.000) 9.311 30.853 ( -1.179 6.727 -0.000) 6.830 31.135 ( -2.383 -5.363 0.000) 5.868 31.507 ( -3.844 2.593 -0.000) 4.637 31.622 ( 11.775 -0.832 0.000) 11.804 32.338 ( 6.008 5.517 -0.000) 8.157 ======================= Grid point 243 (101/343) ======================= q-point: ( 0.15 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 7.896 -1.300 -2.552) 8.400 1.334 ( -0.994 -0.360 -0.223) 1.081 1.565 ( 8.717 7.022 2.448) 11.458 1.817 ( 4.319 3.280 -3.099) 6.246 1.952 ( 0.471 -12.357 -0.989) 12.406 2.276 ( 6.417 -1.240 -3.513) 7.420 2.690 ( 1.110 3.238 -2.914) 4.495 2.812 ( -0.129 0.243 -0.670) 0.724 3.108 ( 0.699 3.531 1.931) 4.085 3.230 ( -6.459 4.743 0.628) 8.038 3.283 ( 2.314 7.860 -3.459) 8.894 3.459 ( -1.817 -6.341 -1.384) 6.740 3.498 ( -1.568 -4.806 -1.709) 5.337 3.782 ( 7.609 -18.171 0.002) 19.700 3.919 ( 9.738 1.209 0.565) 9.829 4.295 ( -1.906 -5.109 -5.343) 7.634 5.320 ( 0.092 2.878 6.609) 7.209 5.496 ( 8.779 3.257 3.363) 9.950 6.728 ( 4.270 -19.378 3.426) 20.136 7.067 ( 8.516 -17.680 -2.961) 19.847 10.054 ( -7.503 11.350 1.468) 13.684 10.205 ( -5.202 5.660 -0.972) 7.748 10.543 ( -8.189 4.868 -0.570) 9.544 10.565 ( -5.786 1.998 -1.226) 6.243 12.948 ( -10.994 9.415 0.920) 14.504 13.072 ( -13.175 11.454 -1.267) 17.504 15.809 ( 1.874 -5.671 1.604) 6.184 15.984 ( -0.624 -4.842 -1.566) 5.127 17.425 ( -1.487 1.691 1.500) 2.705 17.451 ( 1.349 4.666 0.589) 4.893 17.868 ( 1.915 1.805 0.841) 2.763 18.026 ( 2.321 -0.844 -2.629) 3.607 18.882 ( 0.630 -3.867 1.244) 4.111 18.902 ( 1.622 -3.555 2.089) 4.431 28.044 ( 1.998 0.756 -0.215) 2.147 28.132 ( -2.364 -2.279 0.205) 3.290 30.323 ( 5.589 7.245 -2.871) 9.590 30.571 ( 2.538 -8.399 -2.596) 9.150 31.101 ( -0.072 6.909 8.333) 10.825 31.608 ( 0.682 5.499 -3.208) 6.403 31.787 ( -5.849 -0.893 0.185) 5.920 32.045 ( 0.307 -15.128 -1.735) 15.230 ======================= Grid point 244 (102/343) ======================= q-point: ( 0.23 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 10.263 -2.028 2.951) 10.870 1.261 ( 12.479 4.216 8.417) 15.632 1.537 ( -0.300 3.984 -4.183) 5.785 1.702 ( 7.104 -7.984 -0.055) 10.687 1.809 ( 2.387 -13.421 0.899) 13.661 2.110 ( 5.659 -5.084 -7.274) 10.526 2.711 ( -1.221 4.407 -2.288) 5.114 2.802 ( -0.143 -1.961 -0.813) 2.127 3.092 ( 6.195 2.610 4.055) 7.851 3.244 ( 1.939 2.158 -1.593) 3.310 3.301 ( 7.726 -5.420 -0.589) 9.456 3.396 ( -4.494 -0.417 -3.020) 5.430 3.526 ( -2.798 2.201 0.981) 3.693 3.626 ( -0.491 -9.337 2.011) 9.563 3.806 ( 3.490 0.589 5.150) 6.249 4.347 ( -8.742 -0.009 -10.165) 13.407 5.342 ( 4.699 2.997 3.331) 6.493 5.362 ( 8.393 0.855 3.486) 9.128 6.632 ( -1.994 -8.075 2.906) 8.810 6.850 ( 4.152 -7.872 -2.413) 9.221 10.226 ( -5.394 4.142 1.092) 6.888 10.318 ( -5.233 2.098 -1.003) 5.727 10.670 ( -5.219 1.019 -0.687) 5.362 10.689 ( -5.748 1.997 -0.841) 6.143 13.212 ( -10.258 8.136 1.624) 13.193 13.360 ( -11.655 8.144 -1.945) 14.351 15.752 ( 1.527 -4.119 2.264) 4.942 15.950 ( -0.415 -3.774 -2.637) 4.623 17.443 ( 2.640 2.425 1.270) 3.803 17.475 ( -1.416 1.105 1.018) 2.065 17.841 ( 2.902 1.791 0.574) 3.458 17.959 ( 3.496 0.350 -2.944) 4.583 18.865 ( -0.342 -2.040 2.537) 3.273 18.879 ( -0.640 -3.693 2.741) 4.643 28.007 ( 2.280 -0.283 1.791) 2.913 28.171 ( -3.151 -0.660 -2.217) 3.909 30.266 ( 5.234 6.705 -1.785) 8.691 30.446 ( 3.079 -7.097 -4.181) 8.793 31.215 ( -0.760 10.438 9.404) 14.070 31.631 ( 0.448 8.216 -2.446) 8.584 31.849 ( -2.815 -10.353 -0.922) 10.768 31.920 ( -1.235 -12.232 -2.491) 12.544 ======================= Grid point 245 (103/343) ======================= q-point: ( 0.31 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 7.503 0.000 12.903) 14.926 1.081 ( 15.517 0.000 12.654) 20.023 1.504 ( 8.476 0.000 6.598) 10.741 1.516 ( 0.625 -0.000 -5.988) 6.021 1.778 ( -2.085 0.000 0.882) 2.263 1.949 ( 4.883 -0.000 -8.541) 9.839 2.739 ( 0.363 -0.000 -0.655) 0.749 2.786 ( 0.036 -0.000 -0.979) 0.980 3.009 ( 4.908 0.000 3.188) 5.852 3.068 ( 10.826 0.000 0.530) 10.839 3.274 ( -2.269 0.000 0.693) 2.373 3.475 ( -5.040 -0.000 -4.951) 7.066 3.583 ( -0.799 0.000 1.672) 1.853 3.625 ( -1.889 -0.000 0.051) 1.890 3.874 ( -6.215 0.000 11.042) 12.670 4.469 ( -10.575 -0.000 -9.679) 14.336 5.172 ( 13.330 0.000 2.530) 13.568 5.288 ( 5.745 -0.000 -1.427) 5.920 6.685 ( -4.846 0.000 1.749) 5.152 6.780 ( -0.308 -0.000 -1.127) 1.168 10.327 ( -3.796 0.000 1.034) 3.934 10.408 ( -4.678 -0.000 -1.469) 4.903 10.754 ( -4.097 -0.000 -0.102) 4.098 10.771 ( -3.468 -0.000 -0.527) 3.507 13.415 ( -7.484 0.000 2.348) 7.843 13.559 ( -8.379 -0.000 -2.446) 8.729 15.728 ( 0.940 0.000 2.918) 3.065 15.925 ( -0.331 -0.000 -3.685) 3.700 17.404 ( 3.246 0.000 2.108) 3.870 17.496 ( -0.299 -0.000 -0.773) 0.829 17.797 ( 3.214 0.000 0.318) 3.229 17.867 ( 5.552 -0.000 -2.695) 6.172 18.896 ( -1.603 0.000 2.009) 2.571 18.910 ( -3.264 0.000 3.506) 4.790 27.987 ( 1.291 0.000 3.228) 3.477 28.202 ( -2.362 -0.000 -3.967) 4.617 30.192 ( 5.569 -0.000 -0.467) 5.589 30.338 ( 2.800 -0.000 -5.322) 6.013 31.357 ( -2.341 0.000 10.293) 10.556 31.665 ( -0.797 -0.000 -1.244) 1.478 31.756 ( 1.030 0.000 -0.026) 1.030 31.914 ( -2.046 -0.000 -5.103) 5.498 ======================= Grid point 247 (104/343) ======================= q-point: ( 0.46 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 15.284 10.704) 18.660 0.983 ( 0.000 11.382 13.284) 17.493 1.382 ( -0.000 -1.139 -0.874) 1.435 1.625 ( -0.000 -5.519 -9.945) 11.373 2.041 ( 0.000 51.684 12.236) 53.113 2.241 ( 0.000 37.122 -2.079) 37.181 2.706 ( 0.000 8.644 2.225) 8.926 2.766 ( 0.000 5.687 -1.726) 5.944 2.891 ( 0.000 -0.606 2.088) 2.174 2.951 ( -0.000 -1.835 -1.448) 2.337 3.325 ( -0.000 -4.565 1.178) 4.714 3.435 ( -0.000 -7.866 -4.098) 8.870 3.664 ( 0.000 3.511 -0.404) 3.534 3.679 ( 0.000 6.775 -2.230) 7.133 4.447 ( 0.000 0.473 15.841) 15.848 4.575 ( -0.000 -14.895 5.671) 15.938 4.692 ( -0.000 -6.069 -1.757) 6.318 4.958 ( -0.000 -0.677 -14.574) 14.589 6.882 ( 0.000 9.870 0.218) 9.872 6.891 ( 0.000 7.874 -0.225) 7.877 10.376 ( -0.000 -5.147 1.869) 5.476 10.446 ( -0.000 -4.994 -2.334) 5.513 10.832 ( 0.000 -0.065 0.283) 0.290 10.838 ( -0.000 -0.072 -0.060) 0.094 13.421 ( -0.000 -21.619 2.707) 21.788 13.517 ( -0.000 -22.058 -2.996) 22.261 15.832 ( 0.000 10.647 3.416) 11.182 15.958 ( 0.000 9.250 -4.264) 10.186 17.381 ( 0.000 2.565 2.043) 3.279 17.464 ( -0.000 0.423 -2.849) 2.880 17.639 ( -0.000 -8.176 0.350) 8.183 17.645 ( -0.000 -9.547 -0.109) 9.547 19.016 ( 0.000 7.525 2.385) 7.894 19.072 ( 0.000 6.671 -0.775) 6.716 28.022 ( 0.000 1.038 4.844) 4.954 28.193 ( -0.000 0.246 -5.530) 5.535 30.077 ( 0.000 -0.180 3.774) 3.778 30.236 ( -0.000 1.801 -6.248) 6.502 31.120 ( -0.000 -28.919 13.494) 31.912 31.474 ( -0.000 -19.492 -8.922) 21.437 32.135 ( 0.000 24.900 1.211) 24.929 32.215 ( 0.000 38.788 -5.122) 39.125 ======================= Grid point 248 (105/343) ======================= q-point: ( 0.54 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.447 9.128 14.345) 17.009 1.152 ( -2.514 13.553 7.807) 15.841 1.389 ( -1.213 2.806 -7.185) 7.809 1.566 ( -3.338 -4.592 -6.596) 8.702 2.327 ( 6.994 25.785 1.604) 26.765 2.466 ( 4.607 43.063 1.702) 43.343 2.653 ( 6.901 4.608 -0.409) 8.308 2.882 ( 1.165 2.470 1.225) 2.993 2.963 ( -3.342 3.965 0.586) 5.219 3.112 ( -12.551 27.924 1.321) 30.643 3.286 ( 0.712 -2.075 1.171) 2.487 3.357 ( 0.418 -7.307 -3.091) 7.945 3.656 ( 2.762 5.677 -0.654) 6.347 3.725 ( -0.669 5.696 -1.285) 5.877 4.229 ( 13.659 -5.320 13.212) 19.734 4.473 ( 11.534 -6.124 -9.213) 15.981 4.839 ( -17.783 -8.016 7.919) 21.053 5.014 ( -11.074 -4.074 -8.490) 14.537 6.909 ( 3.185 13.416 -0.023) 13.789 6.994 ( -0.607 15.890 0.262) 15.903 10.316 ( 2.713 -8.264 1.931) 8.910 10.364 ( 2.609 -7.958 -2.189) 8.656 10.809 ( 2.798 -0.514 0.066) 2.846 10.811 ( 2.763 -0.294 -0.004) 2.779 13.217 ( 3.484 -29.909 2.281) 30.197 13.291 ( 2.445 -29.739 -2.521) 29.946 15.925 ( 1.081 12.715 2.519) 13.007 16.016 ( -0.174 12.181 -3.084) 12.567 17.388 ( 1.051 -3.070 1.515) 3.581 17.445 ( 0.287 -0.263 -1.756) 1.799 17.608 ( -4.947 -11.239 0.084) 12.280 17.668 ( -7.211 -3.742 -0.705) 8.155 19.063 ( 2.592 8.995 1.389) 9.464 19.105 ( 2.036 8.325 0.463) 8.583 28.055 ( 0.170 1.165 4.292) 4.450 28.164 ( 0.243 0.920 -4.723) 4.818 30.054 ( 2.146 -4.592 1.207) 5.210 30.301 ( -6.938 5.395 -3.457) 9.444 31.033 ( -2.502 -21.125 11.996) 24.422 31.318 ( -3.547 -17.461 -9.767) 20.319 32.286 ( 5.126 24.409 3.343) 25.164 32.383 ( 6.069 32.335 -5.435) 33.346 ======================= Grid point 249 (106/343) ======================= q-point: ( 0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 1.437 1.951 10.825) 11.093 1.331 ( -0.473 10.303 -0.871) 10.351 1.374 ( -2.437 8.336 -6.361) 10.765 1.623 ( -5.952 -0.858 -0.741) 6.059 2.338 ( 8.359 18.028 0.479) 19.878 2.543 ( 2.875 -4.033 -1.361) 5.137 2.573 ( 11.579 25.719 0.127) 28.206 2.854 ( 2.027 -2.000 0.394) 2.875 3.062 ( 0.952 3.377 0.506) 3.545 3.227 ( 0.454 -2.005 1.644) 2.632 3.286 ( 1.253 -4.629 -1.575) 5.047 3.525 ( -2.056 24.673 0.255) 24.760 3.679 ( 1.336 10.198 -0.016) 10.285 3.824 ( -5.222 17.227 -0.449) 18.006 4.076 ( 8.811 -4.049 7.600) 12.320 4.248 ( 4.136 9.824 -7.238) 12.885 5.076 ( -11.202 -9.926 2.533) 15.180 5.176 ( -14.221 -2.322 -1.831) 14.525 7.004 ( -1.002 21.172 -0.017) 21.196 7.155 ( -2.139 23.498 0.179) 23.596 10.174 ( 6.072 -13.173 1.435) 14.576 10.216 ( 4.925 -12.678 -1.492) 13.683 10.725 ( 5.740 -1.372 -0.039) 5.902 10.736 ( 5.221 -0.933 -0.037) 5.304 12.920 ( 4.532 -33.332 0.580) 33.644 13.008 ( 2.831 -32.785 -0.700) 32.915 15.994 ( 2.006 12.073 0.670) 12.256 16.093 ( 0.751 12.323 -0.860) 12.376 17.338 ( 0.010 -7.010 0.294) 7.016 17.432 ( -0.038 -2.093 -0.263) 2.110 17.660 ( -8.168 -7.915 0.160) 11.375 17.784 ( -6.893 -0.834 -0.629) 6.971 19.078 ( 3.500 9.658 0.417) 10.281 19.115 ( 3.563 7.529 0.683) 8.357 28.060 ( 1.560 0.188 1.096) 1.915 28.169 ( -1.224 2.892 -1.216) 3.368 29.993 ( -0.856 -7.805 -0.257) 7.856 30.468 ( -6.974 7.978 -1.201) 10.664 31.021 ( -4.369 -13.884 6.028) 15.754 31.265 ( -7.346 -13.544 -5.175) 16.254 32.291 ( 12.848 18.167 1.084) 22.277 32.443 ( 8.100 26.258 -1.512) 27.521 ======================= Grid point 250 (107/343) ======================= q-point: (-0.31 -0.62 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 1.221 2.872 -0.000) 3.121 1.302 ( 3.795 5.629 -0.000) 6.788 1.550 ( -6.310 9.680 -0.000) 11.555 1.699 ( -1.958 -0.016 0.000) 1.958 2.308 ( 9.823 19.205 -0.000) 21.571 2.435 ( 3.229 -6.873 0.000) 7.594 2.557 ( 7.504 17.672 -0.000) 19.199 2.798 ( 1.593 -3.953 0.000) 4.261 2.971 ( 4.010 -10.103 0.000) 10.870 3.225 ( 0.328 1.126 -0.000) 1.173 3.230 ( 1.600 -2.945 0.000) 3.351 3.583 ( 3.699 6.916 -0.000) 7.843 3.671 ( 5.202 3.556 -0.000) 6.301 3.860 ( 6.532 -5.802 0.000) 8.736 4.167 ( -6.277 27.033 -0.000) 27.753 4.437 ( -4.965 33.332 -0.000) 33.700 5.164 ( -8.046 -12.604 0.000) 14.953 5.406 ( -10.778 1.652 -0.000) 10.904 7.262 ( -7.483 30.278 -0.000) 31.189 7.425 ( -6.861 31.318 -0.000) 32.061 9.910 ( 10.915 -21.590 0.000) 24.192 9.985 ( 7.722 -20.564 0.000) 21.966 10.595 ( 7.339 -1.664 0.000) 7.525 10.620 ( 6.712 -0.870 0.000) 6.768 12.630 ( 1.626 -30.819 0.000) 30.862 12.735 ( 1.922 -30.738 0.000) 30.798 16.035 ( 2.272 9.795 -0.000) 10.055 16.140 ( 2.624 9.560 -0.000) 9.914 17.307 ( -1.440 -5.223 0.000) 5.418 17.415 ( 0.070 -2.305 0.000) 2.306 17.769 ( -8.811 -5.152 0.000) 10.206 17.870 ( -3.653 -1.195 0.000) 3.844 19.084 ( 3.474 9.123 -0.000) 9.762 19.098 ( 3.730 6.133 -0.000) 7.178 28.029 ( 1.821 -0.308 0.000) 1.846 28.217 ( -1.339 3.874 -0.000) 4.099 29.987 ( -4.862 -7.791 0.000) 9.184 30.632 ( -5.112 8.420 -0.000) 9.850 31.046 ( -5.943 -9.753 0.000) 11.422 31.317 ( -8.123 -7.978 0.000) 11.385 32.127 ( 16.857 11.064 -0.000) 20.163 32.448 ( 9.122 19.493 -0.000) 21.522 ======================= Grid point 257 (108/343) ======================= q-point: ( 0.15 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 2.505 -0.231 -2.539) 3.574 1.283 ( -1.213 -2.957 -2.161) 3.858 1.674 ( 4.152 5.537 0.467) 6.936 1.827 ( 2.568 5.453 -1.887) 6.316 1.999 ( 4.301 3.943 -0.503) 5.856 2.359 ( 4.728 3.891 -1.065) 6.215 2.694 ( 2.807 2.745 -4.030) 5.626 2.806 ( 0.847 1.193 0.068) 1.465 3.072 ( -3.610 9.340 -1.156) 10.080 3.085 ( -3.270 0.049 0.778) 3.362 3.231 ( -1.209 3.772 -0.698) 4.022 3.433 ( -4.742 -0.840 -2.473) 5.413 3.467 ( -2.377 -5.889 -2.124) 6.696 3.938 ( 4.166 -0.397 -9.009) 9.933 4.108 ( 7.508 -11.447 5.037) 14.587 4.474 ( 11.557 -15.144 -0.270) 19.052 5.333 ( 0.274 5.491 7.470) 9.275 5.599 ( 4.433 5.502 1.902) 7.317 7.070 ( 11.793 -30.819 3.691) 33.205 7.403 ( 12.673 -29.057 -3.410) 31.883 9.782 ( -11.250 22.410 1.464) 25.118 10.015 ( -8.203 15.909 -1.559) 17.967 10.370 ( -6.708 2.896 0.559) 7.328 10.448 ( -4.614 1.594 -1.462) 5.096 12.707 ( -10.535 5.221 0.692) 11.778 12.764 ( -11.915 8.639 -0.805) 14.739 15.891 ( 2.141 -4.925 1.376) 5.544 16.001 ( -0.356 -4.135 -1.140) 4.304 17.397 ( -1.404 1.581 1.097) 2.382 17.430 ( 0.765 5.778 -0.036) 5.828 17.886 ( 0.516 0.847 1.077) 1.464 18.057 ( 1.427 -1.828 -2.134) 3.151 18.933 ( 1.525 -3.212 0.887) 3.665 18.962 ( 1.860 -2.276 0.746) 3.033 28.033 ( -0.864 1.296 -0.659) 1.692 28.155 ( 1.141 -2.928 0.870) 3.260 30.352 ( 4.583 5.843 -2.745) 7.917 30.668 ( 2.887 -7.927 -1.836) 8.634 31.096 ( -1.000 4.283 7.531) 8.721 31.554 ( -3.547 -1.511 -3.983) 5.543 31.704 ( -0.782 6.058 0.822) 6.164 32.137 ( 0.846 -10.104 -0.920) 10.181 ======================= Grid point 258 (109/343) ======================= q-point: ( 0.23 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 6.321 -1.314 -0.489) 6.475 1.320 ( -3.656 0.164 -2.406) 4.379 1.594 ( 10.337 6.809 3.167) 12.777 1.785 ( 3.768 2.959 -2.963) 5.633 1.942 ( 0.554 -9.157 -0.791) 9.208 2.237 ( 7.062 -5.389 -3.798) 9.661 2.658 ( 1.202 5.236 -3.168) 6.237 2.803 ( -0.486 -1.260 -0.959) 1.656 3.130 ( -0.568 3.920 2.159) 4.511 3.235 ( -6.213 5.950 -0.041) 8.603 3.250 ( 2.318 5.904 -2.369) 6.771 3.441 ( -0.480 -5.920 -2.072) 6.290 3.487 ( -3.377 -4.181 -0.368) 5.387 3.766 ( 3.885 -14.718 -2.159) 15.374 3.945 ( 8.975 -1.208 3.694) 9.781 4.238 ( 1.999 -6.836 -5.352) 8.909 5.388 ( 1.698 3.552 6.114) 7.272 5.526 ( 8.033 2.821 2.281) 8.814 6.768 ( 4.758 -18.818 4.112) 19.841 7.032 ( 7.955 -18.305 -3.666) 20.293 10.071 ( -7.333 11.159 1.735) 13.465 10.193 ( -5.281 6.144 -1.290) 8.203 10.537 ( -7.942 4.333 -0.480) 9.060 10.552 ( -6.041 2.090 -1.109) 6.488 12.959 ( -11.027 10.017 1.137) 14.941 13.057 ( -13.025 10.983 -1.466) 17.100 15.828 ( 1.731 -5.361 1.958) 5.964 15.966 ( -0.325 -5.237 -1.909) 5.584 17.440 ( -0.730 3.000 1.160) 3.298 17.458 ( 0.447 4.071 0.674) 4.151 17.879 ( 1.886 1.235 1.206) 2.557 17.998 ( 2.515 -0.807 -2.765) 3.824 18.896 ( 0.459 -3.563 1.265) 3.809 18.922 ( 0.807 -3.571 1.658) 4.019 28.042 ( 0.939 1.507 -0.228) 1.790 28.135 ( -1.166 -3.207 0.221) 3.419 30.294 ( 5.456 7.881 -2.469) 9.898 30.546 ( 3.165 -8.851 -2.093) 9.630 31.191 ( -0.495 7.017 8.610) 11.118 31.572 ( -0.216 4.492 -3.822) 5.903 31.786 ( -5.167 -0.526 -0.312) 5.203 32.028 ( 0.918 -14.639 -1.586) 14.753 ======================= Grid point 259 (110/343) ======================= q-point: ( 0.31 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 5.908 -1.735 7.877) 9.998 1.343 ( 6.680 6.713 6.376) 11.417 1.477 ( 4.519 3.414 -6.327) 8.491 1.707 ( 4.459 -5.551 0.873) 7.174 1.820 ( 2.578 -14.628 1.265) 14.907 2.028 ( 5.808 -7.568 -8.089) 12.508 2.691 ( -1.144 6.170 -1.535) 6.461 2.792 ( -0.857 -3.578 -0.993) 3.810 3.136 ( 6.019 3.040 4.061) 7.872 3.234 ( 1.263 2.361 -0.427) 2.711 3.295 ( 6.655 -6.510 -0.495) 9.323 3.362 ( -4.308 -1.023 -3.294) 5.519 3.536 ( -2.555 3.678 0.784) 4.547 3.644 ( -0.258 -9.363 1.251) 9.450 3.868 ( 0.798 0.219 6.601) 6.653 4.239 ( -7.716 -0.253 -10.308) 12.878 5.372 ( 6.540 3.326 2.453) 7.736 5.394 ( 8.632 0.473 2.542) 9.011 6.665 ( -1.004 -7.559 3.292) 8.306 6.822 ( 3.115 -8.451 -2.897) 9.461 10.239 ( -5.217 3.956 1.348) 6.685 10.306 ( -5.086 2.253 -1.266) 5.705 10.665 ( -5.475 1.128 -0.314) 5.599 10.680 ( -5.856 1.805 -0.817) 6.182 13.231 ( -10.488 8.604 1.917) 13.701 13.338 ( -11.483 7.736 -2.184) 14.017 15.779 ( 1.361 -3.720 2.720) 4.805 15.920 ( 0.000 -4.200 -3.001) 5.162 17.456 ( 2.092 2.653 1.220) 3.592 17.483 ( -0.529 1.349 0.547) 1.549 17.849 ( 3.036 1.413 0.949) 3.481 17.929 ( 3.555 0.439 -2.753) 4.518 18.886 ( -0.884 -1.824 1.634) 2.604 18.907 ( -1.000 -3.752 2.217) 4.471 28.028 ( 1.440 0.122 2.096) 2.546 28.146 ( -2.114 -1.165 -2.449) 3.439 30.250 ( 4.996 7.987 -1.238) 9.502 30.408 ( 3.822 -8.226 -3.135) 9.597 31.313 ( -0.893 11.489 9.021) 14.635 31.604 ( -0.653 7.651 -2.741) 8.153 31.839 ( -3.076 -9.793 -1.081) 10.322 31.892 ( -0.005 -13.122 -2.547) 13.367 ======================= Grid point 260 (111/343) ======================= q-point: ( 0.38 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 5.702 0.000 14.240) 15.339 1.197 ( 16.044 0.000 8.053) 17.952 1.458 ( -2.958 -0.000 -3.916) 4.908 1.549 ( 4.180 0.000 1.586) 4.471 1.785 ( -1.452 0.000 0.459) 1.523 1.862 ( 4.615 -0.000 -7.306) 8.641 2.738 ( -0.213 0.000 0.396) 0.450 2.774 ( -0.187 -0.000 -1.361) 1.374 3.041 ( 6.532 0.000 2.786) 7.101 3.073 ( 9.916 0.000 0.413) 9.925 3.288 ( -2.556 0.000 2.017) 3.257 3.419 ( -4.201 -0.000 -5.409) 6.849 3.599 ( -0.710 0.000 1.378) 1.550 3.625 ( -1.320 -0.000 -0.223) 1.338 3.993 ( -9.013 0.000 11.622) 14.707 4.360 ( -11.804 -0.000 -10.910) 16.073 5.199 ( 13.346 0.000 2.573) 13.592 5.271 ( 8.656 -0.000 -1.808) 8.842 6.705 ( -3.966 0.000 1.944) 4.417 6.765 ( -1.221 -0.000 -1.616) 2.025 10.340 ( -3.863 0.000 1.406) 4.111 10.392 ( -4.413 -0.000 -1.672) 4.719 10.754 ( -4.210 -0.000 0.155) 4.213 10.766 ( -3.770 -0.000 -0.511) 3.805 13.441 ( -7.710 0.000 2.688) 8.166 13.531 ( -8.267 -0.000 -2.761) 8.716 15.761 ( 0.793 0.000 3.475) 3.564 15.884 ( 0.021 -0.000 -3.993) 3.994 17.427 ( 2.829 0.000 2.186) 3.575 17.485 ( 0.679 -0.000 -1.279) 1.448 17.801 ( 3.511 0.000 0.626) 3.566 17.842 ( 5.062 -0.000 -2.072) 5.469 18.916 ( -1.762 0.000 1.807) 2.524 18.935 ( -2.825 0.000 1.366) 3.138 28.024 ( 0.668 0.000 3.808) 3.867 28.158 ( -1.610 -0.000 -4.329) 4.618 30.195 ( 5.075 0.000 0.993) 5.171 30.286 ( 3.247 -0.000 -4.538) 5.580 31.463 ( -2.540 0.000 9.733) 10.059 31.651 ( -1.793 -0.000 -1.758) 2.512 31.757 ( 0.801 0.000 0.420) 0.905 31.855 ( -0.992 -0.000 -5.792) 5.877 ======================= Grid point 262 (112/343) ======================= q-point: ( 0.54 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.000 16.681 6.687) 17.972 1.069 ( -0.000 16.978 2.175) 17.117 1.409 ( -0.000 -7.005 6.729) 9.714 1.511 ( -0.000 -6.709 -11.238) 13.088 2.148 ( -0.000 45.877 8.008) 46.571 2.210 ( -0.000 40.709 -4.078) 40.913 2.728 ( -0.000 8.153 1.944) 8.382 2.748 ( 0.000 6.962 -1.784) 7.187 2.913 ( -0.000 -1.084 2.047) 2.316 2.933 ( -0.000 -1.502 -1.820) 2.360 3.347 ( -0.000 -5.220 3.071) 6.056 3.388 ( 0.000 -6.339 -4.439) 7.739 3.661 ( -0.000 3.843 -0.045) 3.843 3.664 ( -0.000 4.989 -0.741) 5.044 4.609 ( -0.000 -2.055 12.871) 13.034 4.624 ( 0.000 -11.124 3.606) 11.694 4.676 ( 0.000 -6.176 0.787) 6.226 4.798 ( -0.000 -0.296 -15.557) 15.560 6.885 ( -0.000 9.364 0.295) 9.368 6.888 ( -0.000 8.714 -0.325) 8.720 10.398 ( -0.000 -5.089 2.145) 5.523 10.421 ( -0.000 -5.034 -2.314) 5.540 10.835 ( -0.000 -0.076 0.217) 0.230 10.837 ( -0.000 -0.079 -0.137) 0.158 13.452 ( 0.000 -21.918 3.080) 22.134 13.485 ( -0.000 -22.039 -3.157) 22.264 15.871 ( -0.000 10.165 3.909) 10.890 15.913 ( -0.000 9.703 -4.208) 10.576 17.405 ( 0.000 1.606 2.573) 3.033 17.434 ( -0.000 0.936 -2.811) 2.962 17.642 ( -0.000 -8.690 0.234) 8.693 17.644 ( -0.000 -9.149 -0.157) 9.150 19.040 ( -0.000 7.522 2.098) 7.809 19.059 ( -0.000 7.307 -1.577) 7.475 28.076 ( -0.000 0.780 5.371) 5.427 28.134 ( 0.000 0.510 -5.618) 5.641 30.121 ( 0.000 0.353 4.641) 4.654 30.174 ( 0.000 1.020 -5.494) 5.588 31.254 ( -0.000 -26.189 11.950) 28.787 31.372 ( -0.000 -23.094 -10.465) 25.354 32.150 ( 0.000 29.216 1.788) 29.271 32.174 ( -0.000 33.621 -2.899) 33.746 ======================= Grid point 263 (113/343) ======================= q-point: (-0.38 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -1.845 17.279 -0.000) 17.377 1.240 ( -3.064 12.063 -0.000) 12.446 1.321 ( 4.236 -4.020 0.000) 5.839 1.524 ( -6.574 -4.684 0.000) 8.072 2.336 ( 7.535 24.606 -0.000) 25.734 2.476 ( 5.161 42.399 -0.000) 42.712 2.651 ( 7.186 4.855 -0.000) 8.672 2.889 ( 1.450 1.937 -0.000) 2.420 2.966 ( -3.993 5.538 -0.000) 6.828 3.120 ( -12.881 29.088 -0.000) 31.812 3.296 ( 1.121 -3.506 0.000) 3.681 3.335 ( -0.044 -6.640 0.000) 6.640 3.652 ( 2.749 5.919 -0.000) 6.526 3.719 ( -0.963 4.978 -0.000) 5.070 4.345 ( 11.902 -4.169 0.000) 12.611 4.379 ( 14.525 -7.481 0.000) 16.338 4.913 ( -16.272 -4.448 0.000) 16.869 4.937 ( -13.270 -6.940 0.000) 14.975 6.909 ( 3.202 13.380 -0.000) 13.758 6.996 ( -0.657 15.995 -0.000) 16.008 10.333 ( 3.038 -8.242 0.000) 8.784 10.346 ( 2.257 -7.954 0.000) 8.268 10.809 ( 2.923 -0.495 0.000) 2.964 10.811 ( 2.688 -0.321 0.000) 2.707 13.233 ( 4.102 -30.249 0.000) 30.526 13.273 ( 1.793 -29.469 0.000) 29.524 15.943 ( 1.739 11.928 -0.000) 12.054 15.996 ( -0.875 12.927 -0.000) 12.957 17.398 ( 1.316 -4.646 0.000) 4.829 17.434 ( -0.161 1.215 -0.000) 1.226 17.608 ( -4.986 -11.319 0.000) 12.369 17.664 ( -6.958 -3.792 0.000) 7.924 19.071 ( 2.968 8.926 -0.000) 9.406 19.106 ( 1.506 8.622 -0.000) 8.753 28.090 ( 1.322 0.270 -0.000) 1.349 28.127 ( -0.938 1.827 -0.000) 2.053 30.061 ( 2.983 -4.766 0.000) 5.623 30.282 ( -7.574 5.490 -0.000) 9.355 31.119 ( 0.085 -19.408 0.000) 19.409 31.243 ( -6.151 -19.817 0.000) 20.750 32.314 ( 6.536 25.807 -0.000) 26.622 32.344 ( 4.347 30.911 -0.000) 31.215 ======================= Grid point 271 (114/343) ======================= q-point: ( 0.15 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 1.636 -1.873 -1.510) 2.909 1.330 ( 2.484 -3.840 -0.303) 4.583 1.643 ( 1.166 8.965 -2.559) 9.396 1.792 ( -1.097 5.932 -0.778) 6.082 2.096 ( 10.174 7.887 2.242) 13.067 2.367 ( 2.752 11.985 -0.321) 12.301 2.696 ( 2.026 3.049 -1.725) 4.047 2.805 ( -0.236 5.069 0.872) 5.148 2.975 ( 0.839 1.857 -3.008) 3.634 3.046 ( -1.900 0.120 0.767) 2.053 3.196 ( -1.535 -0.821 0.818) 1.924 3.344 ( -3.201 0.333 -1.303) 3.472 3.464 ( -1.188 -5.510 -1.835) 5.927 3.948 ( 4.349 6.564 -5.837) 9.801 4.314 ( 3.054 -14.057 0.976) 14.418 4.788 ( 11.179 -11.819 0.779) 16.288 5.319 ( -0.204 9.490 6.086) 11.275 5.593 ( -0.250 7.421 -0.250) 7.429 7.596 ( 16.741 -38.799 2.658) 42.340 7.883 ( 16.205 -36.827 -2.619) 40.320 9.342 ( -16.051 33.635 -0.053) 37.269 9.667 ( -12.616 26.467 -0.279) 29.322 10.288 ( -1.961 0.505 0.818) 2.184 10.377 ( -1.651 0.316 -1.090) 2.003 12.499 ( -10.693 -0.796 -0.259) 10.726 12.558 ( -7.674 0.597 0.493) 7.713 15.966 ( 2.347 -2.951 0.951) 3.889 16.019 ( 0.498 -2.256 -0.783) 2.440 17.358 ( -1.826 1.756 -0.136) 2.537 17.411 ( 1.188 4.403 0.157) 4.564 17.883 ( -0.977 0.032 0.487) 1.092 18.081 ( 0.461 -2.360 -0.758) 2.521 18.986 ( 2.205 -1.073 0.464) 2.495 19.007 ( 1.806 -0.514 0.026) 1.878 28.015 ( -0.144 0.801 0.486) 0.948 28.193 ( 0.776 -1.761 -0.390) 1.964 30.369 ( 1.707 3.043 -0.761) 3.572 30.755 ( 2.427 -6.302 -3.255) 7.497 31.071 ( -2.857 3.648 5.241) 6.995 31.475 ( -4.912 -5.213 -3.200) 7.845 31.692 ( 4.396 9.002 1.675) 10.158 32.214 ( 2.039 -5.397 -0.139) 5.772 ======================= Grid point 272 (115/343) ======================= q-point: ( 0.23 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 2.464 -0.505 -1.846) 3.120 1.257 ( -0.237 -2.471 -2.820) 3.757 1.679 ( 1.343 6.178 0.423) 6.336 1.809 ( 3.093 3.517 -1.504) 4.919 1.996 ( 6.636 5.690 -0.103) 8.742 2.348 ( 4.621 1.372 -0.972) 4.917 2.652 ( 3.670 4.129 -3.737) 6.669 2.804 ( 0.906 0.076 -0.279) 0.951 3.059 ( -3.551 11.945 -1.177) 12.517 3.093 ( -3.936 -0.600 0.827) 4.067 3.224 ( -0.356 2.709 -0.510) 2.780 3.413 ( -5.033 -1.549 -1.109) 5.382 3.449 ( -2.624 -5.752 -1.526) 6.503 3.854 ( 3.171 -2.372 -6.597) 7.694 4.157 ( 7.072 -9.463 4.000) 12.473 4.466 ( 12.659 -15.399 -1.041) 19.962 5.413 ( 0.664 6.234 7.366) 9.673 5.609 ( 3.552 5.145 0.037) 6.252 7.111 ( 11.633 -30.007 4.002) 32.431 7.365 ( 12.653 -29.956 -3.777) 32.737 9.798 ( -11.714 22.774 1.413) 25.649 9.998 ( -7.976 15.903 -1.512) 17.855 10.376 ( -6.277 2.673 0.735) 6.862 10.433 ( -4.700 1.362 -1.439) 5.100 12.715 ( -10.612 5.839 0.837) 12.141 12.755 ( -11.570 8.227 -0.933) 14.227 15.906 ( 1.960 -4.718 1.536) 5.335 15.988 ( -0.176 -4.418 -1.338) 4.620 17.407 ( -1.649 2.370 0.846) 3.009 17.430 ( 0.585 5.363 -0.017) 5.394 17.898 ( 0.150 0.573 1.131) 1.277 18.035 ( 2.032 -1.890 -1.952) 3.393 18.942 ( 1.418 -2.917 0.846) 3.352 18.969 ( 1.342 -2.380 0.449) 2.769 28.027 ( -0.149 1.846 -0.486) 1.915 28.163 ( 0.408 -3.604 0.663) 3.687 30.327 ( 5.126 6.101 -2.048) 8.227 30.650 ( 2.519 -8.139 -1.472) 8.646 31.177 ( -2.061 3.875 7.535) 8.720 31.508 ( -3.509 -1.760 -4.739) 6.154 31.711 ( -0.119 6.405 0.556) 6.430 32.128 ( 1.403 -9.837 -0.747) 9.965 ======================= Grid point 273 (116/343) ======================= q-point: ( 0.31 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 3.458 -0.966 2.468) 4.357 1.283 ( -4.237 0.364 -4.653) 6.304 1.629 ( 11.307 6.548 3.187) 13.449 1.756 ( 2.579 2.839 -2.431) 4.541 1.936 ( 0.965 -5.341 -0.419) 5.444 2.200 ( 7.677 -9.985 -3.139) 12.980 2.627 ( 1.010 6.848 -2.401) 7.327 2.793 ( -0.774 -2.446 -0.861) 2.706 3.152 ( -1.847 4.092 2.054) 4.937 3.219 ( -0.914 10.193 -2.054) 10.438 3.244 ( -2.982 0.976 0.196) 3.144 3.419 ( 0.100 -6.016 -1.917) 6.315 3.487 ( -3.891 -3.233 0.136) 5.061 3.746 ( 1.084 -11.831 -1.541) 11.980 3.987 ( 8.033 -2.947 4.175) 9.521 4.184 ( 5.397 -8.311 -4.828) 11.023 5.446 ( 3.596 4.367 4.687) 7.347 5.542 ( 6.903 2.130 0.799) 7.268 6.812 ( 5.364 -17.942 4.259) 19.205 6.991 ( 7.286 -19.235 -3.937) 20.942 10.090 ( -7.208 11.042 1.695) 13.295 10.179 ( -5.343 6.520 -1.393) 8.544 10.533 ( -7.600 3.785 -0.253) 8.494 10.542 ( -6.404 2.269 -0.815) 6.843 12.971 ( -11.025 10.798 1.172) 15.476 13.042 ( -12.932 10.308 -1.406) 16.597 15.849 ( 1.576 -4.856 2.024) 5.492 15.945 ( -0.049 -5.813 -1.982) 6.142 17.449 ( 0.121 4.262 0.655) 4.314 17.465 ( -0.491 3.412 0.574) 3.495 17.893 ( 1.756 0.652 1.532) 2.421 17.969 ( 2.753 -0.693 -2.576) 3.833 18.908 ( 0.395 -3.203 0.990) 3.376 18.936 ( 0.153 -3.714 0.969) 3.842 28.040 ( 0.163 2.088 -0.174) 2.102 28.137 ( -0.270 -3.928 0.169) 3.941 30.272 ( 5.365 8.288 -1.635) 10.008 30.528 ( 3.582 -9.120 -1.353) 9.891 31.279 ( -0.618 7.438 7.941) 10.898 31.528 ( -1.262 3.565 -4.548) 5.915 31.781 ( -4.449 -0.329 -0.453) 4.485 32.013 ( 1.365 -14.349 -1.077) 14.454 ======================= Grid point 274 (117/343) ======================= q-point: ( 0.38 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 1.689 -1.187 10.940) 11.133 1.340 ( -4.653 1.193 -7.872) 9.222 1.455 ( 15.592 11.973 2.885) 19.869 1.716 ( 2.657 -4.531 0.614) 5.289 1.838 ( 3.961 -15.595 2.436) 16.274 1.945 ( 5.193 -10.491 -7.325) 13.809 2.679 ( -1.264 7.721 -0.717) 7.856 2.783 ( -1.418 -5.070 -0.703) 5.311 3.172 ( 6.440 4.338 2.562) 8.177 3.235 ( 0.599 1.778 0.576) 1.963 3.291 ( 4.874 -6.909 -0.010) 8.455 3.329 ( -3.404 -1.836 -2.995) 4.891 3.542 ( -2.442 4.404 0.432) 5.054 3.653 ( -0.202 -9.281 0.600) 9.303 3.944 ( -1.736 0.019 7.820) 8.010 4.133 ( -6.021 -0.452 -9.783) 11.496 5.392 ( 7.735 3.522 1.285) 8.595 5.414 ( 8.793 0.234 1.324) 8.895 6.700 ( 0.167 -6.539 3.143) 7.257 6.791 ( 1.934 -9.519 -2.924) 10.144 10.254 ( -5.133 3.888 1.411) 6.592 10.292 ( -4.952 2.309 -1.362) 5.631 10.663 ( -5.698 1.290 0.073) 5.843 10.672 ( -5.908 1.592 -0.664) 6.154 13.251 ( -10.730 9.436 1.875) 14.411 13.315 ( -11.283 6.945 -2.026) 13.404 15.808 ( 1.137 -2.945 2.788) 4.212 15.889 ( 0.393 -4.994 -2.938) 5.807 17.467 ( 1.438 3.006 0.862) 3.442 17.486 ( 0.354 1.322 0.096) 1.372 17.862 ( 3.204 1.075 1.412) 3.663 17.902 ( 3.476 0.565 -2.384) 4.253 18.900 ( -1.004 -1.488 0.984) 2.047 18.924 ( -1.327 -4.000 1.013) 4.335 28.050 ( 0.370 1.007 2.031) 2.297 28.121 ( -0.903 -2.114 -2.230) 3.203 30.240 ( 4.665 9.053 -0.601) 10.202 30.382 ( 4.426 -9.180 -1.688) 10.330 31.400 ( -0.604 13.391 7.143) 15.189 31.572 ( -2.017 6.678 -3.303) 7.719 31.827 ( -3.528 -8.336 -1.082) 9.116 31.871 ( 1.313 -15.413 -1.341) 15.527 ======================= Grid point 275 (118/343) ======================= q-point: ( 0.46 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 7.073 -0.000 12.345) 14.227 1.212 ( 12.293 0.000 -5.583) 13.501 1.466 ( -2.020 0.000 5.412) 5.776 1.530 ( 1.321 -0.000 -4.963) 5.136 1.790 ( 0.237 -0.000 0.601) 0.646 1.807 ( 2.854 0.000 -3.106) 4.218 2.746 ( -0.439 -0.000 1.034) 1.123 2.759 ( -0.381 0.000 -1.372) 1.424 3.065 ( 7.880 -0.000 1.600) 8.040 3.074 ( 8.947 0.000 -0.321) 8.953 3.318 ( -2.862 -0.000 3.657) 4.644 3.364 ( -3.393 0.000 -4.980) 6.026 3.612 ( -0.778 -0.000 1.009) 1.274 3.620 ( -0.975 0.000 -0.601) 1.145 4.117 ( -10.985 -0.000 11.852) 16.159 4.241 ( -11.954 0.000 -11.627) 16.676 5.226 ( 12.535 -0.000 2.427) 12.767 5.250 ( 10.955 0.000 -2.153) 11.164 6.726 ( -3.041 -0.000 2.002) 3.641 6.746 ( -2.121 0.000 -1.902) 2.848 10.356 ( -3.994 -0.000 1.648) 4.321 10.374 ( -4.180 0.000 -1.737) 4.527 10.757 ( -4.179 -0.000 0.333) 4.193 10.761 ( -4.022 0.000 -0.447) 4.047 13.471 ( -7.926 0.000 2.879) 8.433 13.501 ( -8.115 -0.000 -2.906) 8.620 15.800 ( 0.595 -0.000 3.859) 3.905 15.842 ( 0.336 0.000 -4.042) 4.056 17.450 ( 2.265 0.000 2.046) 3.053 17.470 ( 1.544 -0.000 -1.725) 2.315 17.810 ( 3.938 0.000 1.034) 4.071 17.823 ( 4.477 -0.000 -1.522) 4.729 18.933 ( -1.999 -0.000 1.219) 2.342 18.940 ( -2.353 0.000 -0.189) 2.361 28.066 ( -0.047 -0.000 4.215) 4.215 28.112 ( -0.821 0.000 -4.402) 4.478 30.213 ( 4.435 -0.000 2.330) 5.010 30.244 ( 3.803 0.000 -3.518) 5.181 31.557 ( -2.773 0.000 7.788) 8.267 31.621 ( -2.592 0.000 -4.302) 5.023 31.768 ( 0.600 -0.000 1.784) 1.882 31.799 ( 0.048 0.000 -4.361) 4.361 ======================= Grid point 285 (119/343) ======================= q-point: ( 0.15 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 3.446 -0.223 -0.365) 3.472 1.388 ( 1.211 -1.851 0.378) 2.244 1.621 ( 2.971 5.372 1.023) 6.224 1.738 ( 1.522 5.422 -1.430) 5.810 2.230 ( 8.064 7.303 2.346) 11.129 2.291 ( 3.692 20.686 -1.054) 21.039 2.691 ( 0.295 3.428 -1.745) 3.858 2.794 ( 1.024 -0.421 5.749) 5.855 3.012 ( 2.598 -0.564 -1.657) 3.133 3.022 ( 0.248 1.569 0.463) 1.654 3.190 ( -0.914 -1.734 0.117) 1.964 3.317 ( -0.472 -3.341 0.514) 3.413 3.502 ( 2.518 -5.337 -1.075) 5.998 3.931 ( 2.106 8.073 -3.318) 8.979 4.428 ( -0.020 -10.895 -1.112) 10.952 5.010 ( 7.469 -0.292 1.224) 7.574 5.248 ( -2.296 11.484 3.981) 12.370 5.498 ( -3.068 6.212 -3.453) 7.742 8.206 ( 18.075 -40.410 1.033) 44.280 8.411 ( 13.674 -28.882 -1.178) 31.978 8.764 ( -18.191 39.190 -1.480) 43.232 9.249 ( -10.789 23.326 1.375) 25.737 10.287 ( 1.721 0.628 0.317) 1.859 10.374 ( 1.559 -0.535 -0.299) 1.675 12.369 ( -7.615 -9.539 -0.340) 12.210 12.465 ( -6.003 -6.732 0.816) 9.056 16.013 ( 1.643 0.631 -0.152) 1.767 16.055 ( 2.736 -0.640 0.142) 2.814 17.313 ( -2.060 0.236 -0.693) 2.186 17.409 ( 1.619 3.614 0.102) 3.962 17.856 ( -2.536 -1.025 -0.371) 2.761 18.097 ( -0.598 -2.466 0.736) 2.642 19.027 ( 2.437 1.726 0.009) 2.986 19.034 ( 1.740 1.656 -0.272) 2.417 28.024 ( 1.034 0.543 1.539) 1.932 28.199 ( -0.272 -0.318 -1.751) 1.801 30.357 ( -2.247 0.147 2.114) 3.088 30.797 ( -0.062 -5.564 -5.648) 7.929 30.996 ( -3.731 5.140 2.083) 6.684 31.442 ( -2.009 -6.128 -1.567) 6.636 31.743 ( 7.120 8.808 2.837) 11.675 32.288 ( 3.812 -0.932 0.351) 3.940 ======================= Grid point 286 (120/343) ======================= q-point: ( 0.23 0.62 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 2.114 -1.736 -1.110) 2.952 1.325 ( 3.908 -4.584 -0.594) 6.053 1.620 ( 1.206 10.036 -1.677) 10.246 1.785 ( -1.227 4.963 -0.498) 5.136 2.117 ( 10.995 8.262 1.613) 13.847 2.364 ( 2.363 11.094 -0.231) 11.345 2.678 ( 3.984 4.991 -1.543) 6.570 2.819 ( 0.845 3.125 1.480) 3.560 2.945 ( 0.215 3.186 -2.619) 4.129 3.055 ( -2.079 -1.327 0.775) 2.586 3.202 ( -0.969 -0.011 0.231) 0.996 3.344 ( -3.450 -1.730 1.170) 4.033 3.440 ( -1.138 -5.410 -2.624) 6.119 3.883 ( 4.737 4.515 -5.660) 8.652 4.332 ( 1.995 -12.199 1.841) 12.497 4.791 ( 12.005 -11.406 -0.058) 16.560 5.390 ( -1.258 9.817 7.047) 12.150 5.578 ( -1.090 7.623 -2.604) 8.129 7.622 ( 16.017 -38.124 2.302) 41.416 7.857 ( 16.750 -37.697 -2.289) 41.314 9.342 ( -16.797 34.061 -0.056) 37.977 9.664 ( -11.811 26.072 -0.182) 28.623 10.297 ( -2.010 0.981 0.715) 2.348 10.367 ( -1.472 -0.252 -0.901) 1.744 12.497 ( -10.824 -0.499 -0.157) 10.837 12.562 ( -7.265 0.552 0.322) 7.293 15.976 ( 1.929 -2.818 1.055) 3.575 16.010 ( 0.839 -2.395 -0.936) 2.705 17.357 ( -2.186 2.013 -0.140) 2.975 17.412 ( 1.073 4.066 0.150) 4.208 17.887 ( -1.391 0.129 0.296) 1.428 18.074 ( 1.237 -2.484 -0.480) 2.816 18.991 ( 2.037 -0.862 0.421) 2.252 19.007 ( 1.563 -0.645 -0.089) 1.693 28.019 ( 0.772 1.531 0.368) 1.754 28.189 ( -0.289 -2.539 -0.301) 2.573 30.362 ( 3.207 3.429 -0.442) 4.716 30.725 ( 0.822 -6.964 -2.261) 7.368 31.123 ( -4.861 3.560 4.369) 7.442 31.441 ( -3.650 -5.234 -2.990) 7.047 31.707 ( 5.146 9.189 1.118) 10.591 32.213 ( 2.424 -5.265 -0.098) 5.797 ======================= Grid point 287 (121/343) ======================= q-point: ( 0.31 0.62 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 1.353 -0.728 -0.561) 1.636 1.228 ( 1.455 -1.935 -2.425) 3.427 1.683 ( -0.719 6.675 0.249) 6.718 1.797 ( 3.454 1.913 -0.815) 4.032 1.996 ( 8.419 7.156 0.092) 11.050 2.340 ( 4.571 -0.600 -0.623) 4.652 2.619 ( 4.346 5.162 -2.204) 7.099 2.801 ( 0.922 -0.848 -0.299) 1.288 3.049 ( -3.719 13.472 -0.659) 13.991 3.101 ( -3.974 -1.104 0.503) 4.155 3.220 ( -0.256 1.928 -0.191) 1.954 3.407 ( -4.196 -3.068 -0.137) 5.200 3.434 ( -3.407 -4.227 -1.250) 5.571 3.802 ( 2.033 -2.686 -3.238) 4.673 4.190 ( 6.687 -8.998 2.228) 11.430 4.455 ( 13.552 -15.572 -0.884) 20.662 5.483 ( 1.792 7.102 5.792) 9.338 5.600 ( 2.253 4.461 -1.752) 5.296 7.151 ( 11.399 -28.893 3.237) 31.229 7.327 ( 12.750 -31.135 -3.113) 33.788 9.810 ( -12.189 23.174 0.922) 26.201 9.985 ( -7.661 15.738 -0.985) 17.532 10.385 ( -5.919 2.722 0.768) 6.561 10.419 ( -4.830 1.012 -1.149) 5.067 12.724 ( -10.772 6.489 0.942) 12.611 12.745 ( -11.222 7.721 -0.998) 13.658 15.922 ( 1.870 -4.392 1.350) 4.960 15.974 ( -0.089 -4.800 -1.238) 4.958 17.414 ( -1.935 3.084 0.453) 3.669 17.430 ( 0.596 4.923 -0.004) 4.959 17.908 ( -0.369 0.371 0.817) 0.970 18.017 ( 2.695 -1.940 -1.259) 3.551 18.950 ( 1.382 -2.614 0.563) 3.010 18.972 ( 0.954 -2.553 0.146) 2.730 28.023 ( 0.284 2.188 -0.255) 2.221 28.169 ( -0.037 -4.033 0.356) 4.049 30.310 ( 5.478 6.258 -1.085) 8.387 30.638 ( 2.246 -8.285 -0.813) 8.623 31.250 ( -3.075 3.919 6.115) 7.888 31.457 ( -3.172 -2.148 -4.594) 5.981 31.716 ( 0.354 6.566 0.282) 6.582 32.122 ( 1.777 -9.665 -0.414) 9.836 ======================= Grid point 288 (122/343) ======================= q-point: ( 0.38 0.62 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.102 -0.379 4.859) 4.875 1.227 ( -2.801 0.153 -5.661) 6.318 1.656 ( 12.510 6.246 1.663) 14.081 1.735 ( 0.707 2.915 -1.249) 3.249 1.933 ( 1.397 -2.297 -0.101) 2.690 2.176 ( 8.039 -13.407 -1.262) 15.683 2.610 ( 0.801 7.702 -0.884) 7.794 2.786 ( -0.932 -3.095 -0.347) 3.251 3.172 ( -3.229 2.703 1.418) 4.443 3.200 ( -0.184 11.737 -1.366) 11.817 3.245 ( -3.055 0.468 0.088) 3.092 3.404 ( 0.174 -6.025 -0.761) 6.075 3.488 ( -3.951 -2.696 0.094) 4.784 3.735 ( -0.235 -10.625 -0.502) 10.640 4.026 ( 6.380 -2.658 2.501) 7.350 4.142 ( 8.286 -9.959 -2.687) 13.231 5.483 ( 5.461 5.493 2.047) 8.012 5.545 ( 5.486 1.055 -0.150) 5.589 6.852 ( 6.024 -16.464 2.646) 17.730 6.954 ( 6.589 -20.743 -2.529) 21.911 10.104 ( -7.202 11.142 0.874) 13.295 10.166 ( -5.318 6.573 -0.768) 8.490 10.532 ( -7.157 3.392 0.041) 7.920 10.535 ( -6.864 2.454 -0.415) 7.301 12.981 ( -10.923 11.694 0.638) 16.015 13.030 ( -12.980 9.472 -0.723) 16.085 15.867 ( 1.496 -4.064 1.178) 4.488 15.927 ( 0.097 -6.645 -1.162) 6.747 17.454 ( 0.532 4.877 0.207) 4.910 17.469 ( -0.942 3.144 0.223) 3.289 17.909 ( 1.253 0.201 1.320) 1.831 17.945 ( 3.309 -0.515 -1.685) 3.749 18.916 ( 0.399 -2.920 0.387) 2.973 18.943 ( -0.221 -3.882 0.298) 3.899 28.038 ( -0.237 2.399 -0.065) 2.412 28.138 ( 0.198 -4.316 0.063) 4.321 30.260 ( 5.318 8.485 -0.569) 10.030 30.518 ( 3.788 -9.241 -0.468) 9.998 31.351 ( -0.105 8.862 4.787) 10.073 31.481 ( -2.488 1.923 -3.564) 4.752 31.778 ( -3.953 -0.241 -0.204) 3.966 32.006 ( 1.581 -14.227 -0.376) 14.320 ======================= Grid point 289 (123/343) ======================= q-point: ( 0.46 0.62 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -1.626 0.033 0.000) 1.627 1.238 ( -1.819 -1.096 0.000) 2.124 1.477 ( 14.170 15.155 -0.000) 20.747 1.719 ( 2.077 -4.282 0.000) 4.760 1.869 ( 9.859 -18.851 0.000) 21.274 1.887 ( -0.196 -9.332 0.000) 9.334 2.675 ( -1.326 8.374 -0.000) 8.478 2.779 ( -1.635 -5.713 0.000) 5.943 3.186 ( 6.808 5.351 -0.000) 8.659 3.240 ( 0.643 0.995 -0.000) 1.185 3.295 ( 3.734 -6.513 0.000) 7.507 3.307 ( -3.060 -2.603 0.000) 4.017 3.545 ( -2.409 4.619 -0.000) 5.209 3.656 ( -0.195 -9.243 0.000) 9.245 4.023 ( -4.734 1.367 -0.000) 4.928 4.043 ( -3.272 -1.933 0.000) 3.800 5.399 ( 8.152 3.589 -0.000) 8.907 5.421 ( 8.843 0.151 -0.000) 8.844 6.722 ( 1.191 -4.750 0.000) 4.897 6.770 ( 0.911 -11.325 0.000) 11.362 10.265 ( -5.199 4.283 -0.000) 6.736 10.281 ( -4.810 1.910 -0.000) 5.175 10.665 ( -5.788 1.601 -0.000) 6.006 10.667 ( -5.919 1.262 -0.000) 6.052 13.264 ( -10.886 10.650 -0.000) 15.229 13.301 ( -11.142 5.746 -0.000) 12.536 15.829 ( 0.955 -1.407 0.000) 1.700 15.867 ( 0.635 -6.539 0.000) 6.570 17.472 ( 0.977 3.342 -0.000) 3.482 17.486 ( 0.894 1.102 -0.000) 1.419 17.878 ( 3.718 1.192 -0.000) 3.904 17.880 ( 2.988 0.370 -0.000) 3.011 18.906 ( -1.034 -1.279 0.000) 1.645 18.929 ( -1.426 -4.181 0.000) 4.417 28.064 ( -0.585 2.363 -0.000) 2.434 28.106 ( 0.103 -3.492 0.000) 3.494 30.237 ( 4.507 9.492 -0.000) 10.508 30.373 ( 4.666 -9.578 0.000) 10.654 31.446 ( 0.217 16.054 -0.000) 16.055 31.547 ( -3.298 4.496 -0.000) 5.576 31.820 ( -3.508 -7.856 0.000) 8.604 31.864 ( 1.673 -16.341 0.000) 16.427 ======================= Grid point 299 (124/343) ======================= q-point: ( 0.15 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 1.484 3.627 1.764) 4.298 1.408 ( 1.982 2.831 -1.770) 3.883 1.662 ( 2.292 0.924 3.930) 4.643 1.747 ( 0.346 0.757 -1.540) 1.750 2.187 ( 7.022 22.037 -1.426) 23.172 2.347 ( 7.587 7.558 1.080) 10.764 2.672 ( -0.870 -2.785 -0.878) 3.047 2.849 ( 0.788 5.146 5.117) 7.300 2.998 ( -0.229 -1.417 2.330) 2.736 3.091 ( 4.783 1.413 -0.689) 5.035 3.188 ( -0.194 -2.580 0.700) 2.680 3.374 ( 1.387 -7.885 -0.141) 8.008 3.626 ( 6.967 -4.485 2.218) 8.577 3.876 ( -0.591 6.213 -2.147) 6.600 4.458 ( -1.463 -1.949 -0.646) 2.521 4.989 ( -0.251 26.390 -1.969) 26.465 5.176 ( -2.658 -0.058 5.169) 5.812 5.390 ( -3.118 0.401 -6.568) 7.282 8.131 ( -16.337 42.520 -1.326) 45.570 8.411 ( -11.785 28.391 0.548) 30.744 8.833 ( 17.089 -39.514 -0.823) 43.059 9.300 ( 12.298 -27.702 1.406) 30.342 10.341 ( 4.874 0.710 -0.042) 4.925 10.432 ( 4.142 -1.019 0.252) 4.273 12.366 ( -3.821 -18.752 -0.044) 19.138 12.445 ( -4.717 -13.611 0.576) 14.416 16.026 ( 2.211 4.422 -0.370) 4.957 16.111 ( 3.697 1.666 0.264) 4.064 17.279 ( -2.127 -2.300 -0.650) 3.199 17.416 ( 1.905 3.420 -0.011) 3.915 17.805 ( -4.206 -2.763 -0.818) 5.098 18.098 ( -1.872 -2.071 1.408) 3.127 19.039 ( 1.367 3.921 -0.504) 4.183 19.049 ( 2.604 4.787 -0.271) 5.456 28.056 ( 1.539 0.282 2.583) 3.020 28.173 ( -0.679 1.135 -2.988) 3.268 30.310 ( -5.491 -2.015 3.859) 7.007 30.765 ( -4.818 -7.150 -6.698) 10.918 30.915 ( -1.096 7.121 1.177) 7.301 31.458 ( -0.510 -5.538 -0.892) 5.632 31.844 ( 9.339 8.682 2.630) 13.020 32.368 ( 6.091 3.711 0.606) 7.159 ======================= Grid point 300 (125/343) ======================= q-point: ( 0.23 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 4.116 -0.848 -0.268) 4.211 1.391 ( 0.372 -1.095 0.237) 1.180 1.630 ( 6.270 4.280 0.534) 7.610 1.726 ( 0.069 5.336 -0.794) 5.395 2.250 ( 8.239 8.972 1.575) 12.282 2.280 ( 3.335 20.479 -0.930) 20.770 2.676 ( 0.263 3.061 -0.921) 3.207 2.850 ( 2.829 0.934 4.547) 5.436 2.984 ( 5.351 -0.919 -2.668) 6.049 3.034 ( -1.617 0.442 0.974) 1.939 3.189 ( -0.897 -0.840 -0.174) 1.241 3.333 ( -2.095 -6.587 2.116) 7.229 3.488 ( 3.980 -5.683 -1.499) 7.098 3.889 ( 3.612 8.473 -3.789) 9.960 4.426 ( -1.420 -11.861 0.343) 11.950 5.015 ( 8.453 2.679 -0.023) 8.867 5.305 ( -4.038 9.071 6.372) 11.798 5.451 ( -3.884 7.680 -5.334) 10.125 8.215 ( 17.563 -40.411 0.652) 44.068 8.400 ( 14.000 -29.381 -0.744) 32.554 8.752 ( -18.669 39.673 -0.802) 43.854 9.261 ( -10.157 23.180 0.744) 25.319 10.290 ( 1.641 1.010 0.175) 1.935 10.372 ( 1.728 -0.982 -0.162) 1.994 12.366 ( -7.591 -9.546 -0.164) 12.197 12.471 ( -5.830 -6.508 0.433) 8.748 16.012 ( 1.341 0.806 -0.080) 1.567 16.056 ( 2.983 -0.756 0.074) 3.078 17.307 ( -2.276 0.056 -0.368) 2.306 17.409 ( 1.511 3.509 0.029) 3.821 17.852 ( -2.795 -0.855 -0.218) 2.931 18.103 ( -0.038 -2.503 0.433) 2.540 19.028 ( 2.226 1.809 0.068) 2.869 19.031 ( 1.667 1.626 -0.222) 2.339 28.038 ( 1.993 1.303 1.068) 2.609 28.183 ( -1.400 -1.104 -1.190) 2.143 30.377 ( -0.533 0.760 1.505) 1.768 30.748 ( -2.114 -6.705 -3.426) 7.821 31.015 ( -4.504 5.409 1.300) 7.158 31.429 ( -1.606 -6.313 -0.960) 6.584 31.766 ( 7.917 9.250 1.479) 12.264 32.291 ( 3.971 -1.008 0.203) 4.102 ======================= Grid point 301 (126/343) ======================= q-point: ( 0.31 0.69 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 2.393 -1.700 -0.410) 2.964 1.320 ( 4.920 -4.891 -0.308) 6.944 1.608 ( 1.063 10.512 -0.564) 10.580 1.782 ( -1.252 4.433 -0.170) 4.609 2.129 ( 11.450 8.622 0.590) 14.345 2.362 ( 2.127 10.547 -0.086) 10.759 2.667 ( 4.986 6.106 -0.567) 7.904 2.832 ( 2.310 0.928 0.837) 2.626 2.924 ( -0.749 4.743 -1.203) 4.950 3.061 ( -2.201 -2.060 0.329) 3.033 3.202 ( -0.670 0.620 -0.027) 0.913 3.364 ( -3.820 -4.249 2.274) 6.150 3.410 ( -0.760 -4.166 -2.691) 5.018 3.841 ( 4.306 3.772 -2.156) 6.117 4.346 ( 1.726 -11.411 0.755) 11.566 4.789 ( 12.404 -11.073 -0.113) 16.628 5.459 ( -1.090 10.128 5.385) 11.522 5.541 ( -2.149 7.471 -3.739) 8.627 7.641 ( 15.425 -37.563 0.981) 40.619 7.839 ( 17.239 -38.372 -0.980) 42.078 9.341 ( -17.219 34.306 -0.024) 38.385 9.663 ( -11.355 25.846 -0.063) 28.230 10.302 ( -2.077 1.429 0.311) 2.540 10.360 ( -1.333 -0.753 -0.377) 1.577 12.496 ( -10.883 -0.349 -0.052) 10.889 12.565 ( -7.048 0.544 0.112) 7.070 15.988 ( 1.405 -2.654 1.075) 3.189 15.999 ( 1.321 -2.563 -1.032) 3.062 17.355 ( -2.369 2.115 -0.057) 3.176 17.414 ( 0.995 3.920 0.060) 4.045 17.889 ( -1.658 0.183 0.095) 1.671 18.071 ( 1.702 -2.555 -0.160) 3.074 18.995 ( 1.970 -0.648 0.204) 2.084 19.005 ( 1.402 -0.815 -0.087) 1.624 28.022 ( 1.339 1.984 0.138) 2.397 28.187 ( -0.941 -3.017 -0.114) 3.162 30.359 ( 4.087 3.669 -0.140) 5.494 30.709 ( -0.118 -7.359 -0.810) 7.404 31.157 ( -6.450 3.696 1.847) 7.660 31.417 ( -2.450 -5.425 -1.362) 6.106 31.715 ( 5.541 9.290 0.391) 10.824 32.212 ( 2.639 -5.192 -0.035) 5.825 ======================= Grid point 302 (127/343) ======================= q-point: ( 0.38 0.69 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.193 -0.796 0.000) 0.819 1.213 ( 3.190 -1.718 0.000) 3.623 1.684 ( -1.471 6.869 -0.000) 7.025 1.792 ( 3.582 1.283 -0.000) 3.805 1.996 ( 9.086 7.745 -0.000) 11.939 2.336 ( 4.559 -1.369 0.000) 4.760 2.608 ( 4.601 5.540 -0.000) 7.202 2.799 ( 0.918 -1.197 0.000) 1.509 3.046 ( -3.784 13.951 -0.000) 14.455 3.103 ( -3.935 -1.308 0.000) 4.146 3.219 ( -0.323 1.690 -0.000) 1.721 3.407 ( -3.110 -4.529 0.000) 5.494 3.427 ( -4.400 -2.699 0.000) 5.162 3.785 ( 1.578 -2.734 0.000) 3.156 4.202 ( 6.477 -8.864 0.000) 10.979 4.450 ( 13.929 -15.654 0.000) 20.954 5.521 ( 3.221 8.429 -0.000) 9.024 5.584 ( 0.790 3.187 -0.000) 3.283 7.170 ( 11.209 -28.060 0.000) 30.216 7.308 ( 12.889 -31.992 0.000) 34.491 9.815 ( -12.412 23.372 -0.000) 26.463 9.979 ( -7.493 15.623 -0.000) 17.327 10.390 ( -5.775 3.058 -0.000) 6.534 10.411 ( -4.895 0.573 -0.000) 4.929 12.734 ( -12.933 6.859 -0.000) 14.639 12.735 ( -8.992 7.404 -0.000) 11.648 15.930 ( 1.955 -4.068 0.000) 4.514 15.966 ( -0.174 -5.143 0.000) 5.146 17.416 ( -2.098 3.411 -0.000) 4.004 17.430 ( 0.664 4.697 -0.000) 4.744 17.913 ( -0.673 0.304 -0.000) 0.739 18.010 ( 3.047 -1.965 0.000) 3.626 18.953 ( 1.397 -2.455 0.000) 2.825 18.972 ( 0.791 -2.666 0.000) 2.781 28.022 ( 0.429 2.304 -0.000) 2.344 28.171 ( -0.187 -4.179 0.000) 4.184 30.304 ( 5.600 6.310 -0.000) 8.437 30.633 ( 2.147 -8.337 0.000) 8.609 31.289 ( -3.764 4.538 -0.000) 5.895 31.427 ( -2.718 -2.869 0.000) 3.952 31.717 ( 0.523 6.611 -0.000) 6.632 32.120 ( 1.907 -9.607 0.000) 9.794 ======================= Grid point 313 (128/343) ======================= q-point: ( 0.15 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -1.994 7.338 1.682) 7.788 1.422 ( 2.986 2.009 -0.904) 3.710 1.611 ( -6.397 10.576 -0.078) 12.360 1.754 ( 1.122 -2.851 0.878) 3.187 2.228 ( 9.568 9.669 -0.499) 13.612 2.423 ( 7.768 9.929 0.363) 12.612 2.691 ( 0.277 -4.712 -0.485) 4.745 2.781 ( -3.695 6.577 2.137) 7.841 3.070 ( 3.024 -3.297 2.266) 5.015 3.113 ( 0.847 1.012 -1.784) 2.219 3.269 ( 3.912 -2.069 6.041) 7.488 3.444 ( 0.273 -8.666 -3.660) 9.411 3.757 ( 3.131 7.714 3.179) 8.912 3.855 ( 3.173 -2.420 -1.419) 4.235 4.379 ( -3.251 14.313 1.693) 14.775 4.717 ( -4.801 26.776 -2.730) 27.340 5.162 ( -1.225 0.171 3.011) 3.255 5.292 ( -5.728 -1.760 -5.984) 8.468 7.584 ( -10.801 39.170 -0.923) 40.643 7.917 ( -14.903 35.242 0.531) 38.267 9.377 ( 14.947 -32.981 -0.762) 36.218 9.751 ( 11.910 -27.855 0.912) 30.308 10.450 ( 7.444 -0.472 -0.062) 7.459 10.531 ( 5.671 -1.410 0.362) 5.855 12.490 ( -1.951 -23.470 1.031) 23.574 12.509 ( -0.768 -24.590 -0.624) 24.609 16.024 ( 2.757 8.390 -0.271) 8.836 16.160 ( 4.022 4.412 0.241) 5.975 17.265 ( -1.997 -4.773 -0.398) 5.189 17.427 ( 1.887 2.921 0.025) 3.477 17.742 ( -5.394 -4.905 -0.779) 7.332 18.072 ( -3.380 -1.492 1.279) 3.910 19.017 ( 0.635 6.546 -0.852) 6.632 19.051 ( 2.684 7.205 -0.323) 7.695 28.072 ( -1.718 1.038 1.689) 2.623 28.159 ( 2.813 1.151 -2.002) 3.640 30.238 ( -6.681 -3.489 3.397) 8.267 30.677 ( -7.979 -9.710 -4.914) 13.494 30.860 ( -0.104 8.055 0.964) 8.113 31.490 ( 0.507 -4.438 -0.082) 4.468 31.964 ( 9.945 9.313 0.829) 13.650 32.461 ( 9.248 9.258 0.858) 13.114 ======================= Grid point 314 (129/343) ======================= q-point: ( 0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 2.164 3.472 1.012) 4.215 1.392 ( 1.457 2.389 -1.024) 2.979 1.698 ( 1.863 0.720 2.871) 3.497 1.728 ( 0.893 0.789 -2.041) 2.363 2.177 ( 7.043 22.425 -0.529) 23.511 2.355 ( 7.698 8.211 0.365) 11.261 2.666 ( -0.834 -3.066 -0.290) 3.190 2.886 ( 0.182 6.612 1.745) 6.841 3.013 ( 0.279 -1.496 0.675) 1.665 3.086 ( 5.036 1.576 -0.282) 5.284 3.197 ( 2.057 -2.106 0.660) 3.017 3.376 ( -1.396 -10.915 0.197) 11.006 3.649 ( 8.250 -7.169 1.571) 11.042 3.847 ( 0.853 9.490 -2.198) 9.779 4.456 ( -2.401 -5.230 0.120) 5.756 4.973 ( -0.471 28.018 -0.871) 28.036 5.239 ( -2.819 4.001 6.354) 8.020 5.318 ( -3.800 -2.315 -6.738) 8.075 8.121 ( -16.448 42.648 -0.466) 45.713 8.414 ( -11.692 27.988 0.191) 30.333 8.827 ( 16.927 -39.747 -0.291) 43.202 9.310 ( 12.424 -27.269 0.494) 29.969 10.341 ( 4.867 0.871 -0.019) 4.945 10.434 ( 4.206 -1.241 0.096) 4.386 12.366 ( -3.683 -18.835 -0.011) 19.192 12.450 ( -4.759 -13.396 0.204) 14.218 16.024 ( 2.224 4.527 -0.128) 5.046 16.113 ( 3.695 1.627 0.090) 4.039 17.274 ( -2.209 -2.508 -0.222) 3.350 17.415 ( 1.908 3.442 -0.029) 3.936 17.800 ( -4.354 -2.688 -0.269) 5.124 18.108 ( -1.615 -2.041 0.495) 2.649 19.035 ( 1.221 4.007 -0.188) 4.193 19.047 ( 2.517 4.795 -0.097) 5.416 28.081 ( 2.874 0.982 1.747) 3.504 28.145 ( -2.102 0.383 -1.894) 2.855 30.341 ( -4.679 -1.308 1.742) 5.161 30.714 ( -5.516 -8.027 -2.716) 10.111 30.924 ( -1.134 7.213 0.437) 7.314 31.452 ( -0.481 -5.848 -0.331) 5.877 31.862 ( 9.413 9.259 0.889) 13.233 32.373 ( 6.153 3.466 0.228) 7.066 ======================= Grid point 315 (130/343) ======================= q-point: ( 0.31 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 4.337 -1.047 0.000) 4.461 1.392 ( 0.092 -0.858 0.000) 0.863 1.632 ( 7.735 3.955 -0.000) 8.688 1.722 ( -0.739 5.255 -0.000) 5.307 2.261 ( 9.601 7.899 -0.000) 12.433 2.273 ( 1.900 22.096 -0.000) 22.177 2.672 ( 0.283 2.912 -0.000) 2.925 2.878 ( 3.195 2.178 -0.000) 3.867 2.967 ( 5.940 -1.856 0.000) 6.223 3.040 ( -1.668 0.149 -0.000) 1.675 3.188 ( -0.784 -0.442 0.000) 0.900 3.348 ( -3.332 -8.382 0.000) 9.020 3.477 ( 5.222 -5.546 0.000) 7.617 3.867 ( 3.894 8.743 -0.000) 9.571 4.428 ( -1.796 -12.073 0.000) 12.206 5.014 ( 8.678 3.737 -0.000) 9.449 5.360 ( -4.884 5.717 -0.000) 7.519 5.403 ( -3.825 10.672 -0.000) 11.337 8.219 ( 17.362 -40.429 0.000) 44.000 8.396 ( 14.131 -29.545 0.000) 32.750 8.748 ( -18.826 39.852 -0.000) 44.075 9.265 ( -9.942 23.125 -0.000) 25.172 10.291 ( 1.609 1.161 -0.000) 1.984 10.371 ( 1.792 -1.156 0.000) 2.132 12.365 ( -7.581 -9.546 0.000) 12.190 12.474 ( -5.769 -6.429 0.000) 8.637 16.011 ( 1.238 0.865 -0.000) 1.511 16.056 ( 3.066 -0.795 0.000) 3.168 17.305 ( -2.349 -0.010 0.000) 2.349 17.409 ( 1.464 3.473 -0.000) 3.769 17.851 ( -2.873 -0.795 0.000) 2.981 18.106 ( 0.153 -2.516 0.000) 2.520 19.028 ( 2.289 2.022 -0.000) 3.054 19.029 ( 1.501 1.434 -0.000) 2.076 28.044 ( 2.482 1.684 -0.000) 2.999 28.176 ( -1.950 -1.495 0.000) 2.457 30.385 ( 0.246 1.083 -0.000) 1.111 30.729 ( -2.998 -7.192 0.000) 7.792 31.022 ( -4.808 5.496 -0.000) 7.302 31.424 ( -1.429 -6.390 0.000) 6.548 31.774 ( 8.181 9.404 -0.000) 12.464 32.292 ( 4.030 -1.035 0.000) 4.161 ======================= Grid point 326 (131/343) ======================= q-point: ( 0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -8.104 9.497 1.000) 12.525 1.349 ( -9.073 17.035 -0.721) 19.314 1.489 ( 2.990 -1.438 -0.687) 3.388 1.762 ( -2.834 -1.247 0.615) 3.157 2.333 ( 6.869 3.888 0.322) 7.899 2.477 ( 7.546 14.374 -0.207) 16.236 2.723 ( 0.104 -1.353 1.135) 1.769 2.737 ( 1.501 -3.296 -0.471) 3.652 3.065 ( -1.652 4.345 -0.117) 4.650 3.195 ( 4.345 -5.373 -0.039) 6.910 3.356 ( -1.990 -2.592 9.618) 10.158 3.458 ( 1.182 -0.553 -9.138) 9.230 3.739 ( 1.720 9.885 0.817) 10.067 3.806 ( -4.579 17.748 -0.985) 18.356 4.156 ( -4.898 29.234 1.140) 29.663 4.540 ( 0.575 3.716 -0.049) 3.761 5.092 ( -13.505 -4.645 0.193) 14.283 5.213 ( 2.469 -0.057 -1.794) 3.052 7.208 ( -2.622 32.007 -0.263) 32.115 7.446 ( -11.797 29.218 0.073) 31.509 9.808 ( 11.064 -23.549 -0.347) 26.021 10.088 ( 7.492 -18.196 0.341) 19.681 10.600 ( 7.745 -2.313 0.021) 8.083 10.648 ( 5.806 -1.554 0.203) 6.014 12.638 ( -0.424 -27.682 0.057) 27.685 12.759 ( 3.773 -33.118 0.125) 33.332 15.999 ( 2.736 12.262 -0.124) 12.564 16.190 ( 3.722 7.249 0.231) 8.152 17.271 ( -1.499 -6.045 -0.183) 6.230 17.443 ( 1.547 0.874 0.101) 1.780 17.683 ( -5.276 -6.308 -0.362) 8.231 18.014 ( -4.774 -1.508 0.817) 5.072 18.958 ( -0.434 9.079 -1.042) 9.149 19.039 ( 2.566 8.874 -0.242) 9.241 28.018 ( -2.683 2.357 -0.141) 3.574 28.218 ( 4.103 0.043 0.060) 4.104 30.167 ( -5.931 -4.895 1.763) 7.890 30.573 ( -10.966 -13.522 -2.725) 17.622 30.800 ( -0.508 9.138 1.016) 9.209 31.541 ( 1.988 -3.375 0.585) 3.960 32.062 ( 8.584 10.005 -0.507) 13.193 32.581 ( 14.529 16.871 0.986) 22.287 ======================= Grid point 327 (132/343) ======================= q-point: ( 0.23 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -2.000 7.617 -0.000) 7.876 1.416 ( 3.013 1.236 -0.000) 3.256 1.611 ( -6.869 11.157 -0.000) 13.102 1.759 ( 1.341 -3.000 0.000) 3.286 2.225 ( 9.646 9.202 -0.000) 13.331 2.425 ( 7.816 10.399 -0.000) 13.008 2.688 ( 0.262 -4.756 0.000) 4.763 2.792 ( -3.854 6.651 -0.000) 7.687 3.084 ( 4.084 -4.056 0.000) 5.756 3.101 ( -0.379 1.813 -0.000) 1.852 3.310 ( 8.061 1.705 -0.000) 8.240 3.417 ( -4.073 -12.955 0.000) 13.580 3.779 ( 0.673 9.418 -0.000) 9.442 3.841 ( 6.109 -2.859 0.000) 6.745 4.390 ( -3.421 11.866 -0.000) 12.349 4.701 ( -4.810 27.101 -0.000) 27.525 5.188 ( 0.896 5.932 -0.000) 5.999 5.250 ( -7.834 -6.387 0.000) 10.108 7.579 ( -10.730 39.198 -0.000) 40.640 7.920 ( -14.979 35.150 -0.000) 38.208 9.373 ( 14.909 -33.016 0.000) 36.227 9.756 ( 11.905 -27.758 0.000) 30.203 10.450 ( 7.469 -0.455 0.000) 7.483 10.533 ( 5.668 -1.493 0.000) 5.861 12.499 ( -3.155 -20.695 0.000) 20.934 12.502 ( 0.454 -27.312 0.000) 27.316 16.023 ( 2.788 8.466 -0.000) 8.913 16.162 ( 4.041 4.364 -0.000) 5.948 17.262 ( -2.015 -4.865 0.000) 5.266 17.427 ( 1.973 3.034 -0.000) 3.619 17.738 ( -5.452 -4.942 0.000) 7.358 18.078 ( -3.299 -1.472 0.000) 3.613 19.012 ( 0.460 6.667 -0.000) 6.683 19.049 ( 2.643 7.200 -0.000) 7.669 28.083 ( -2.966 1.522 -0.000) 3.334 28.147 ( 4.060 0.613 -0.000) 4.106 30.257 ( -6.525 -2.985 0.000) 7.176 30.650 ( -8.159 -10.414 0.000) 13.229 30.865 ( 0.166 8.320 -0.000) 8.322 31.490 ( 0.698 -4.645 0.000) 4.697 31.968 ( 9.605 9.623 -0.000) 13.596 32.465 ( 9.366 9.065 -0.000) 13.035 ======================= Grid point 339 (133/343) ======================= q-point: ( 0.15 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -14.679 10.516 -0.000) 18.057 1.021 ( -13.105 17.603 -0.000) 21.946 1.565 ( 4.999 0.867 -0.000) 5.074 1.687 ( -4.938 1.523 -0.000) 5.167 2.383 ( 3.893 14.951 -0.000) 15.450 2.504 ( 7.932 13.821 -0.000) 15.936 2.778 ( 0.885 -1.226 0.000) 1.512 2.801 ( 4.772 -4.033 0.000) 6.248 2.905 ( -8.394 21.141 -0.000) 22.747 3.297 ( 1.755 -3.545 0.000) 3.955 3.341 ( -2.180 11.623 -0.000) 11.825 3.342 ( -6.563 -10.298 0.000) 12.211 3.569 ( -9.392 27.820 -0.000) 29.362 3.667 ( 1.786 5.361 -0.000) 5.651 3.924 ( 2.398 19.464 -0.000) 19.611 4.596 ( -0.566 -9.802 0.000) 9.819 4.838 ( -17.997 -6.361 0.000) 19.088 5.278 ( 3.359 -2.220 0.000) 4.026 7.020 ( 3.129 23.987 -0.000) 24.190 7.100 ( -7.071 20.903 -0.000) 22.066 10.099 ( 6.581 -14.973 0.000) 16.355 10.299 ( 4.949 -11.451 0.000) 12.474 10.733 ( 5.048 -2.130 0.000) 5.479 10.751 ( 4.508 -1.025 0.000) 4.623 12.873 ( 3.005 -31.371 0.000) 31.515 13.082 ( 4.894 -34.145 0.000) 34.494 15.944 ( 2.227 15.413 -0.000) 15.573 16.188 ( 2.675 9.399 -0.000) 9.772 17.296 ( 0.137 -4.944 0.000) 4.946 17.475 ( 1.437 -2.833 0.000) 3.176 17.643 ( -4.096 -6.096 0.000) 7.344 17.938 ( -5.850 -3.123 0.000) 6.631 18.866 ( -1.338 11.101 -0.000) 11.182 19.014 ( 2.056 9.567 -0.000) 9.786 27.956 ( -2.065 2.656 -0.000) 3.365 28.290 ( 3.575 -0.467 0.000) 3.605 30.122 ( -4.107 -6.456 0.000) 7.652 30.445 ( -15.391 -17.529 0.000) 23.327 30.721 ( -1.030 9.934 -0.000) 9.987 31.611 ( 3.062 -2.546 0.000) 3.982 32.119 ( 6.055 9.880 -0.000) 11.588 32.768 ( 25.187 27.761 -0.000) 37.484 ======================= Grid point 352 (134/343) ======================= q-point: ( 0.15 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.000 16.289 -0.000) 16.289 0.659 ( 0.000 22.784 -0.000) 22.784 1.584 ( 0.000 3.794 -0.000) 3.794 1.718 ( -0.000 -3.215 0.000) 3.215 2.360 ( -0.000 -15.884 0.000) 15.884 2.528 ( 0.000 60.970 -0.000) 60.970 2.733 ( -0.000 -5.181 0.000) 5.181 2.867 ( 0.000 15.308 -0.000) 15.308 2.911 ( -0.000 -3.761 0.000) 3.761 3.198 ( -0.000 -4.842 0.000) 4.842 3.264 ( 0.000 57.649 -0.000) 57.649 3.313 ( 0.000 8.487 -0.000) 8.487 3.380 ( -0.000 -4.114 0.000) 4.114 3.787 ( 0.000 7.212 -0.000) 7.212 3.964 ( 0.000 3.199 -0.000) 3.199 4.002 ( 0.000 14.520 -0.000) 14.520 4.680 ( -0.000 -6.266 0.000) 6.266 5.344 ( -0.000 -3.194 0.000) 3.194 6.972 ( 0.000 16.668 -0.000) 16.668 7.101 ( 0.000 19.916 -0.000) 19.916 10.213 ( -0.000 -10.689 0.000) 10.689 10.396 ( -0.000 -11.136 0.000) 11.136 10.821 ( 0.000 0.080 -0.000) 0.080 10.841 ( 0.000 0.222 -0.000) 0.222 12.994 ( -0.000 -41.695 0.000) 41.695 13.174 ( -0.000 -38.085 0.000) 38.085 16.016 ( 0.000 19.124 -0.000) 19.124 16.242 ( 0.000 11.114 -0.000) 11.114 17.459 ( -0.000 -11.362 0.000) 11.362 17.469 ( -0.000 -13.567 0.000) 13.567 17.593 ( 0.000 1.269 -0.000) 1.269 17.650 ( -0.000 -1.045 0.000) 1.045 18.838 ( 0.000 13.349 -0.000) 13.349 19.053 ( 0.000 9.894 -0.000) 9.894 27.920 ( 0.000 3.158 -0.000) 3.158 28.361 ( -0.000 -0.934 0.000) 0.934 29.956 ( -0.000 -2.320 0.000) 2.320 30.045 ( -0.000 -7.760 0.000) 7.760 30.698 ( 0.000 11.055 -0.000) 11.055 31.682 ( -0.000 -2.956 0.000) 2.956 32.233 ( 0.000 11.448 -0.000) 11.448 33.857 ( -0.000 -4.170 0.000) 4.170 ======================= Grid point 353 (135/343) ======================= q-point: ( 0.23 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -13.565 14.712 0.604) 20.020 0.939 ( -10.939 20.283 2.868) 23.222 1.635 ( -2.581 3.500 -0.480) 4.375 1.654 ( 4.160 -2.259 0.238) 4.740 2.343 ( -6.481 -13.735 -1.925) 15.309 2.680 ( 3.746 0.015 5.505) 6.659 2.762 ( -1.657 3.159 0.142) 3.570 2.850 ( 3.209 -5.079 0.013) 6.008 3.014 ( -0.077 13.359 0.548) 13.370 3.186 ( -2.189 -6.710 1.861) 7.299 3.307 ( 1.631 -5.957 0.060) 6.176 3.547 ( -0.429 55.572 3.046) 55.657 3.699 ( -2.681 36.822 -0.497) 36.923 3.753 ( 4.754 4.844 0.119) 6.789 4.137 ( 1.348 34.277 -1.013) 34.319 4.274 ( -20.887 -5.443 2.133) 21.690 4.650 ( -3.386 -3.629 -0.592) 4.999 5.301 ( 1.549 -3.174 -1.275) 3.755 7.142 ( -4.525 20.667 0.280) 21.159 7.237 ( 1.658 23.872 0.162) 23.930 10.091 ( 4.212 -14.831 0.209) 15.419 10.280 ( 3.044 -14.026 -0.184) 14.354 10.796 ( 2.858 -0.314 0.035) 2.876 10.815 ( 2.975 -0.066 -0.070) 2.976 12.655 ( 1.957 -42.560 -0.085) 42.605 12.864 ( 1.805 -42.873 -0.350) 42.912 16.115 ( 3.228 17.843 -0.337) 18.136 16.302 ( 2.002 10.629 -0.458) 10.826 17.300 ( 4.503 -6.667 -0.105) 8.046 17.402 ( -2.810 -11.370 0.085) 11.713 17.595 ( 0.264 0.495 -0.791) 0.970 17.763 ( -9.633 -4.353 -1.881) 10.737 18.946 ( -0.146 12.303 3.544) 12.804 19.115 ( 1.202 9.824 0.437) 9.906 27.953 ( -0.900 3.561 0.472) 3.703 28.333 ( 1.968 -1.037 -0.640) 2.315 30.004 ( -3.417 -6.498 -3.283) 8.042 30.091 ( -12.231 -8.721 6.005) 16.177 30.777 ( -0.501 10.921 -1.963) 11.107 31.633 ( 1.980 -3.473 -2.708) 4.829 32.295 ( 3.759 13.140 2.118) 13.830 33.457 ( 31.011 10.933 -6.239) 33.469 ======================= Grid point 354 (136/343) ======================= q-point: ( 0.31 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -12.358 13.626 -1.135) 18.431 1.296 ( -11.244 16.938 3.249) 20.588 1.564 ( 4.742 -0.093 0.588) 4.779 1.704 ( -2.943 1.661 -0.872) 3.490 2.343 ( -3.599 -7.751 -1.768) 8.726 2.681 ( 1.478 8.000 3.017) 8.676 2.729 ( 4.877 -2.598 -1.423) 5.707 2.763 ( 2.330 -2.841 1.215) 3.870 3.060 ( -1.175 0.196 0.650) 1.357 3.170 ( -1.550 -10.028 -1.479) 10.255 3.243 ( 1.007 -4.106 0.993) 4.342 3.670 ( 8.739 7.536 1.708) 11.666 3.836 ( 2.031 10.843 -2.235) 11.255 3.954 ( 2.143 35.314 1.838) 35.427 4.383 ( 1.026 31.827 -3.539) 32.040 4.489 ( -7.798 8.137 5.105) 12.372 4.862 ( -12.768 13.900 0.070) 18.875 5.255 ( 1.125 0.803 -0.556) 1.489 7.397 ( -1.767 28.964 -1.042) 29.037 7.455 ( -9.134 27.404 1.457) 28.923 9.837 ( 10.123 -22.126 0.626) 24.340 10.078 ( 6.586 -19.156 -0.617) 20.266 10.713 ( 6.035 -0.721 -0.002) 6.078 10.738 ( 5.219 -0.648 -0.187) 5.262 12.369 ( -2.802 -38.761 0.058) 38.862 12.526 ( 0.896 -42.977 -0.434) 42.989 16.158 ( 4.459 13.930 -0.153) 14.628 16.312 ( 4.015 8.060 -0.548) 9.022 17.221 ( 0.257 -5.084 0.272) 5.097 17.411 ( -4.650 -5.349 -0.220) 7.091 17.589 ( -0.612 -1.740 -0.173) 1.852 17.879 ( -7.707 -3.504 -1.843) 8.665 19.041 ( 0.648 10.396 2.982) 10.834 19.153 ( 2.445 9.095 0.678) 9.442 28.004 ( -1.487 3.377 0.689) 3.753 28.277 ( 2.956 -0.733 -0.693) 3.124 30.016 ( -5.060 -5.578 -3.683) 8.383 30.286 ( -13.106 -10.733 6.704) 18.218 30.847 ( -0.551 10.108 -3.258) 10.635 31.550 ( 2.167 -3.595 -3.530) 5.484 32.300 ( 7.932 13.165 3.003) 15.661 33.031 ( 23.715 13.531 -3.603) 27.540 ======================= Grid point 355 (137/343) ======================= q-point: ( 0.38 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -5.397 10.967 -2.075) 12.398 1.491 ( 2.098 0.327 2.079) 2.972 1.590 ( -5.607 14.181 0.703) 15.265 1.738 ( -0.763 -0.159 -1.304) 1.519 2.355 ( -1.602 1.187 -0.516) 2.059 2.612 ( 6.184 1.118 -1.541) 6.471 2.696 ( 2.704 -2.182 0.569) 3.521 2.786 ( -2.285 13.722 -0.357) 13.916 3.066 ( 1.278 -4.075 -3.040) 5.242 3.110 ( -1.588 -4.372 0.930) 4.743 3.214 ( -0.161 -4.731 -0.932) 4.825 3.558 ( 9.426 3.548 2.933) 10.490 3.841 ( 1.678 7.049 -2.816) 7.774 3.921 ( 8.286 -3.905 -3.195) 9.701 4.553 ( 6.326 26.641 0.769) 27.392 4.758 ( -11.639 10.044 4.556) 16.035 5.128 ( -1.629 22.272 -2.649) 22.488 5.315 ( -1.856 12.375 4.177) 13.192 7.696 ( -7.302 35.382 0.649) 36.133 7.896 ( -14.725 33.277 -0.032) 36.389 9.424 ( 15.425 -31.058 1.248) 34.700 9.753 ( 11.194 -27.322 -1.371) 29.558 10.584 ( 7.680 -0.199 -0.022) 7.683 10.628 ( 6.173 -0.828 -0.297) 6.236 12.205 ( -6.768 -32.629 -1.009) 33.339 12.253 ( -3.382 -36.841 0.360) 36.998 16.157 ( 4.808 9.239 -0.010) 10.415 16.273 ( 5.066 4.757 -0.357) 6.958 17.209 ( -1.511 -2.680 0.745) 3.165 17.462 ( -1.543 2.592 -0.890) 3.146 17.606 ( -4.587 -5.603 1.337) 7.364 17.965 ( -5.767 -3.308 -2.083) 6.966 19.099 ( 1.727 8.043 1.742) 8.409 19.165 ( 3.400 7.878 0.785) 8.617 28.052 ( -1.165 2.260 -0.304) 2.561 28.222 ( 2.650 0.222 0.725) 2.757 30.064 ( -6.900 -4.345 -5.186) 9.664 30.469 ( -11.175 -9.244 8.124) 16.623 30.905 ( -0.395 8.798 -3.270) 9.394 31.480 ( 1.154 -3.559 -1.878) 4.186 32.226 ( 11.483 11.458 0.856) 16.244 32.750 ( 16.328 9.469 -1.404) 18.927 ======================= Grid point 356 (138/343) ======================= q-point: ( 0.46 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.899 5.955 -2.045) 6.361 1.482 ( 2.289 3.065 2.404) 4.518 1.694 ( 1.329 3.330 -3.025) 4.691 1.751 ( -1.412 3.338 0.283) 3.635 2.420 ( 0.054 11.625 -2.416) 11.874 2.527 ( 4.702 7.194 -0.545) 8.612 2.644 ( 1.400 -2.087 0.623) 2.589 2.899 ( 1.544 8.035 -5.114) 9.648 2.985 ( 0.654 3.437 -3.611) 5.028 3.139 ( -1.242 -4.120 -0.620) 4.348 3.169 ( 1.616 1.982 1.470) 2.950 3.426 ( 7.964 -1.801 4.061) 9.119 3.704 ( 7.683 -7.554 -2.977) 11.179 3.880 ( -2.643 6.620 -3.874) 8.112 4.536 ( 7.965 3.719 5.930) 10.604 5.011 ( -10.410 -2.774 -1.376) 10.861 5.266 ( 5.292 34.344 -1.133) 34.767 5.459 ( 1.091 14.588 5.956) 15.795 8.163 ( -13.979 39.615 1.642) 42.041 8.395 ( -13.306 30.089 -0.392) 32.902 8.881 ( 18.538 -37.595 1.598) 41.948 9.302 ( 12.717 -30.637 -2.377) 33.257 10.453 ( 6.963 0.566 -0.115) 6.987 10.514 ( 5.717 -0.600 -0.187) 5.751 12.092 ( -7.666 -28.660 -0.394) 29.670 12.173 ( -9.898 -24.512 -0.579) 26.441 16.123 ( 4.513 5.072 0.083) 6.789 16.203 ( 5.211 2.009 -0.209) 5.589 17.239 ( -2.046 0.165 1.307) 2.434 17.477 ( 1.841 4.243 -0.409) 4.643 17.686 ( -6.902 -4.376 1.447) 8.299 18.014 ( -4.032 -3.847 -2.446) 6.086 19.114 ( 2.620 5.560 0.774) 6.195 19.152 ( 4.083 6.139 0.768) 7.413 28.058 ( 0.601 0.390 -2.596) 2.693 28.208 ( 0.925 1.510 3.343) 3.783 30.141 ( -7.947 -2.995 -5.869) 10.324 30.636 ( -8.725 -6.755 9.288) 14.423 30.953 ( -0.188 7.330 -2.402) 7.716 31.437 ( 0.616 -3.687 0.682) 3.800 32.076 ( 12.134 8.952 -3.343) 15.445 32.554 ( 11.708 5.077 -0.000) 12.761 ======================= Grid point 357 (139/343) ======================= q-point: ( 0.54 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 3.122 3.203 -0.712) 4.529 1.430 ( 4.819 -2.323 0.845) 5.416 1.678 ( 1.084 6.437 -3.021) 7.193 1.793 ( -0.549 3.684 1.091) 3.881 2.396 ( 4.860 5.740 -5.948) 9.589 2.566 ( 6.587 17.337 1.328) 18.593 2.667 ( -5.963 2.051 -1.604) 6.506 2.806 ( 4.451 2.268 -5.604) 7.507 3.044 ( 1.575 11.867 -1.050) 12.017 3.087 ( 1.385 -2.501 0.096) 2.861 3.199 ( 2.406 4.233 2.917) 5.676 3.310 ( 3.199 -5.226 3.456) 7.034 3.539 ( 4.915 -4.499 -0.379) 6.674 3.981 ( -4.345 9.354 -5.222) 11.560 4.422 ( 6.609 -9.443 9.065) 14.664 5.041 ( 0.108 -7.706 -4.819) 9.090 5.411 ( 5.768 28.022 1.118) 28.631 5.553 ( 0.918 13.267 3.461) 13.742 8.257 ( 19.834 -38.672 0.139) 43.462 8.465 ( 13.878 -26.401 0.944) 29.841 8.737 ( -17.043 38.358 2.110) 42.027 9.184 ( -12.017 18.321 -2.693) 22.075 10.349 ( 4.915 0.528 -0.485) 4.967 10.423 ( 3.968 -0.219 0.331) 3.987 12.094 ( -11.667 -18.946 0.212) 22.251 12.213 ( -11.723 -17.168 -1.356) 20.833 16.074 ( 3.850 1.925 0.251) 4.312 16.119 ( 4.813 -0.037 -0.297) 4.822 17.292 ( -1.920 2.467 1.614) 3.518 17.466 ( 2.039 3.177 0.148) 3.778 17.781 ( -5.155 -1.596 0.752) 5.448 18.033 ( -2.941 -4.367 -2.157) 5.689 19.097 ( 3.124 3.329 0.416) 4.584 19.114 ( 4.561 3.795 0.443) 5.950 28.027 ( 0.886 -0.182 -2.846) 2.987 28.225 ( 0.822 1.130 3.514) 3.781 30.237 ( -7.705 -1.454 -4.913) 9.253 30.769 ( -4.575 -4.728 9.750) 11.763 30.993 ( -0.498 6.003 -1.986) 6.342 31.405 ( 0.805 -4.189 2.295) 4.844 31.917 ( 8.824 7.469 -6.175) 13.106 32.396 ( 8.824 0.946 0.253) 8.879 ======================= Grid point 358 (140/343) ======================= q-point: (-0.38 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 5.002 -2.451 0.325) 5.580 1.351 ( 2.381 -0.757 -0.384) 2.528 1.713 ( -0.171 6.478 -0.015) 6.480 1.846 ( -0.489 6.181 1.584) 6.399 2.317 ( 6.716 9.007 -4.557) 12.124 2.554 ( 5.440 10.312 1.092) 11.710 2.699 ( -1.278 -2.751 -5.405) 6.198 2.851 ( -1.175 14.606 -0.074) 14.654 3.034 ( 3.706 -0.072 2.947) 4.736 3.087 ( 3.491 7.388 1.692) 8.344 3.160 ( 0.524 0.871 -0.541) 1.152 3.313 ( -1.962 0.328 2.743) 3.388 3.460 ( 2.210 -1.680 2.218) 3.553 4.084 ( -0.866 12.240 -4.524) 13.078 4.268 ( 5.490 -17.508 8.896) 20.391 4.876 ( 8.041 -11.006 -3.237) 14.009 5.438 ( 7.135 14.673 -1.471) 16.382 5.658 ( 0.303 13.359 0.120) 13.363 7.635 ( 19.131 -35.831 -1.730) 40.655 7.937 ( 17.016 -34.454 2.133) 38.486 9.297 ( -15.829 31.819 0.970) 35.552 9.600 ( -14.754 22.870 -0.752) 27.226 10.285 ( 1.923 0.092 -0.914) 2.131 10.380 ( 1.125 0.248 1.020) 1.539 12.233 ( -14.881 -9.214 0.199) 17.504 12.331 ( -13.328 -9.628 -1.256) 16.489 16.010 ( 4.312 -0.748 -0.189) 4.380 16.041 ( 2.931 -1.007 0.111) 3.101 17.351 ( -1.255 3.322 1.019) 3.694 17.459 ( 1.198 2.842 0.447) 3.116 17.847 ( -2.786 -0.151 -0.365) 2.814 18.041 ( -2.316 -4.127 -0.570) 4.767 19.049 ( 4.660 1.317 -0.011) 4.843 19.059 ( 3.428 1.406 0.225) 3.712 28.005 ( -0.143 -0.185 -2.239) 2.251 28.222 ( 1.916 0.140 2.526) 3.174 30.336 ( -5.856 0.351 -2.534) 6.390 30.806 ( 2.736 -3.453 8.089) 9.211 31.037 ( -1.529 4.018 -2.818) 5.141 31.387 ( -1.736 -4.285 2.271) 5.151 31.822 ( 4.551 7.761 -5.095) 10.339 32.254 ( 6.429 -3.188 0.035) 7.176 ======================= Grid point 359 (141/343) ======================= q-point: (-0.31 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.002 -2.056 0.559) 2.131 1.309 ( 2.342 -0.800 1.384) 2.836 1.753 ( 0.482 3.803 0.905) 3.939 1.906 ( 0.385 6.535 2.496) 7.006 2.214 ( 10.874 8.962 -2.808) 14.368 2.533 ( 6.299 8.850 2.294) 11.102 2.715 ( -3.546 -0.428 -0.103) 3.573 2.875 ( 6.252 2.353 0.425) 6.694 3.016 ( -2.680 1.596 0.437) 3.150 3.096 ( -0.395 1.564 0.823) 1.811 3.227 ( -2.914 9.798 -1.357) 10.312 3.374 ( -2.431 0.231 1.407) 2.818 3.461 ( 0.336 2.700 6.767) 7.293 4.058 ( 8.274 -18.548 9.927) 22.606 4.136 ( 1.790 9.703 -5.959) 11.527 4.586 ( 12.406 -14.252 -1.312) 18.941 5.381 ( 5.320 6.774 -5.388) 10.159 5.703 ( 3.298 8.529 -1.582) 9.281 7.086 ( 15.307 -26.616 -3.328) 30.883 7.464 ( 13.717 -24.391 3.392) 28.189 9.726 ( -11.493 19.721 -0.967) 22.846 9.967 ( -10.619 13.915 1.298) 17.552 10.287 ( -3.160 0.903 -0.930) 3.415 10.402 ( -2.378 0.960 1.454) 2.948 12.471 ( -15.895 -2.366 -0.659) 16.084 12.546 ( -15.853 -1.157 0.007) 15.895 15.918 ( 4.297 -2.105 -0.847) 4.859 15.996 ( 1.520 -1.733 0.712) 2.413 17.385 ( -0.462 1.967 -0.729) 2.147 17.475 ( 0.135 3.611 0.865) 3.716 17.877 ( -1.201 0.267 -1.053) 1.619 18.050 ( -1.228 -2.893 1.298) 3.400 18.968 ( 4.293 -0.616 -0.588) 4.377 19.003 ( 3.559 -0.074 -0.079) 3.560 28.010 ( -1.643 -0.003 -1.354) 2.129 28.185 ( 3.076 -0.636 1.323) 3.408 30.417 ( -2.694 2.578 0.318) 3.742 30.720 ( 6.883 -4.155 4.570) 9.247 31.062 ( -1.106 2.374 -4.709) 5.389 31.446 ( -6.036 -2.991 2.665) 7.244 31.801 ( 2.750 8.885 -2.364) 9.596 32.121 ( 4.426 -7.290 0.073) 8.529 ======================= Grid point 360 (142/343) ======================= q-point: (-0.23 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.767 0.493 2.178) 2.361 1.267 ( -1.126 -1.630 1.407) 2.430 1.756 ( 3.271 5.305 0.615) 6.263 1.933 ( 2.869 3.716 3.060) 5.604 2.010 ( 13.580 -1.664 -2.482) 13.905 2.462 ( 8.896 4.806 3.559) 10.719 2.756 ( 3.307 1.743 1.515) 4.034 2.805 ( -1.146 -1.186 1.393) 2.158 3.105 ( -3.029 2.662 0.009) 4.032 3.133 ( -4.865 0.263 -0.552) 4.903 3.351 ( -4.155 7.270 -1.662) 8.537 3.396 ( -1.227 -2.868 0.478) 3.156 3.537 ( 2.571 8.573 8.473) 12.324 3.796 ( 8.794 -19.954 3.186) 22.037 4.123 ( 7.834 8.426 1.547) 11.608 4.283 ( 6.234 -11.100 -0.813) 12.757 5.309 ( 2.084 1.995 -7.135) 7.696 5.641 ( 6.978 3.079 -2.715) 8.096 6.709 ( 8.957 -12.725 -3.507) 15.952 7.146 ( 10.199 -10.989 3.247) 15.340 9.981 ( -7.768 7.529 -1.465) 10.917 10.157 ( -4.452 3.376 0.829) 5.648 10.421 ( -9.061 3.191 0.377) 9.614 10.486 ( -5.019 1.151 1.370) 5.329 12.742 ( -15.355 1.332 -0.983) 15.444 12.857 ( -17.111 3.013 0.868) 17.396 15.825 ( 3.765 -1.991 -1.149) 4.411 15.969 ( 0.661 -1.693 1.029) 2.088 17.398 ( -0.955 0.661 -1.826) 2.164 17.498 ( 0.624 2.724 0.362) 2.818 17.887 ( -0.115 0.453 -0.722) 0.860 18.053 ( 0.268 -1.249 2.135) 2.488 18.890 ( 3.060 -1.270 -0.990) 3.458 18.932 ( 3.771 -0.786 -0.844) 3.944 28.049 ( -3.047 0.425 -0.314) 3.093 28.122 ( 3.677 -1.009 0.254) 3.822 30.467 ( 1.580 6.012 2.470) 6.689 30.582 ( 5.463 -6.761 2.190) 8.964 31.069 ( -1.366 1.766 -6.128) 6.522 31.566 ( -7.050 -1.265 2.841) 7.706 31.816 ( 2.279 10.042 -0.699) 10.321 31.990 ( 3.279 -11.015 0.407) 11.500 ======================= Grid point 361 (143/343) ======================= q-point: (-0.15 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 8.860 0.000 3.150) 9.403 1.325 ( 0.927 -0.000 -1.188) 1.507 1.707 ( 11.636 -0.000 -1.729) 11.764 1.733 ( 5.219 0.000 0.143) 5.221 1.882 ( 5.660 0.000 2.505) 6.190 2.335 ( 9.039 0.000 4.281) 10.001 2.729 ( -0.090 0.000 0.635) 0.641 2.825 ( 0.449 0.000 1.525) 1.590 3.124 ( 0.983 -0.000 -1.420) 1.727 3.276 ( -8.599 0.000 0.934) 8.650 3.361 ( 4.110 0.000 3.499) 5.398 3.459 ( -4.037 -0.000 -1.110) 4.187 3.529 ( 9.338 0.000 2.866) 9.768 3.537 ( 5.067 -0.000 -2.639) 5.713 3.934 ( 12.599 0.000 1.100) 12.647 4.330 ( -8.748 0.000 5.905) 10.554 5.270 ( -0.839 -0.000 -6.294) 6.349 5.486 ( 9.413 -0.000 -3.341) 9.989 6.551 ( 2.264 -0.000 -2.655) 3.489 6.968 ( 7.570 0.000 2.313) 7.916 10.122 ( -6.451 -0.000 -0.931) 6.518 10.246 ( -4.676 0.000 0.387) 4.692 10.592 ( -7.834 0.000 0.756) 7.870 10.593 ( -5.535 0.000 1.056) 5.635 13.005 ( -13.574 -0.000 -0.886) 13.603 13.169 ( -15.448 0.000 1.093) 15.487 15.751 ( 2.946 -0.000 -1.220) 3.189 15.963 ( -0.191 0.000 1.259) 1.273 17.416 ( -1.989 -0.000 -1.924) 2.767 17.484 ( 2.186 -0.000 -0.376) 2.218 17.878 ( 1.196 -0.000 -0.248) 1.222 18.044 ( 1.585 0.000 2.173) 2.690 18.841 ( 1.138 -0.000 -1.130) 1.604 18.853 ( 3.767 -0.000 -2.043) 4.285 28.047 ( 3.993 -0.000 -0.398) 4.013 28.120 ( -4.402 0.000 0.522) 4.433 30.420 ( 6.836 0.000 1.259) 6.951 30.521 ( 0.575 0.000 3.896) 3.939 31.072 ( -1.925 -0.000 -7.036) 7.294 31.695 ( -5.415 0.000 3.424) 6.406 31.851 ( 3.894 0.000 0.429) 3.917 31.860 ( 0.011 -0.000 -0.396) 0.396 ======================= Grid point 366 (144/343) ======================= q-point: ( 0.23 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 15.274 6.720) 16.687 0.696 ( 0.000 21.877 6.700) 22.880 1.578 ( 0.000 4.054 -1.147) 4.213 1.720 ( -0.000 -3.308 0.193) 3.313 2.362 ( -0.000 -14.952 0.401) 14.957 2.544 ( 0.000 58.289 2.923) 58.362 2.808 ( 0.000 -3.615 8.843) 9.553 2.875 ( 0.000 16.166 1.783) 16.264 2.911 ( -0.000 -3.814 0.021) 3.815 3.262 ( 0.000 -5.323 6.759) 8.604 3.263 ( 0.000 57.694 -0.167) 57.694 3.368 ( 0.000 -2.095 16.053) 16.189 3.379 ( -0.000 -4.514 -0.273) 4.522 3.781 ( 0.000 7.050 -0.950) 7.114 3.954 ( 0.000 7.589 -1.869) 7.816 4.025 ( 0.000 9.986 4.233) 10.846 4.675 ( -0.000 -6.452 -0.884) 6.512 5.327 ( -0.000 -3.125 -3.288) 4.536 6.983 ( 0.000 15.997 1.895) 16.109 7.100 ( 0.000 19.837 -0.149) 19.837 10.215 ( -0.000 -10.682 0.403) 10.690 10.395 ( -0.000 -11.165 -0.274) 11.169 10.821 ( 0.000 0.073 0.115) 0.136 10.841 ( 0.000 0.221 -0.078) 0.235 12.985 ( -0.000 -40.569 -1.495) 40.597 13.170 ( -0.000 -38.077 -0.776) 38.084 16.009 ( 0.000 19.189 -1.076) 19.219 16.236 ( 0.000 11.207 -1.123) 11.263 17.458 ( -0.000 -11.267 -0.206) 11.269 17.466 ( -0.000 -13.450 -0.618) 13.464 17.590 ( 0.000 1.141 -0.564) 1.272 17.603 ( -0.000 2.315 -7.393) 7.747 18.905 ( 0.000 9.383 10.841) 14.338 19.058 ( 0.000 9.896 0.940) 9.941 27.925 ( 0.000 3.103 0.994) 3.258 28.353 ( -0.000 -0.872 -1.494) 1.729 29.960 ( -0.000 -2.261 0.824) 2.407 30.091 ( -0.000 -10.393 8.119) 13.188 30.678 ( 0.000 10.837 -3.594) 11.418 31.656 ( -0.000 -3.923 -4.900) 6.277 32.252 ( 0.000 12.439 3.295) 12.868 33.692 ( -0.000 7.696 -27.925) 28.966 ======================= Grid point 367 (145/343) ======================= q-point: ( 0.31 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -10.655 14.802 3.574) 18.585 0.994 ( -10.363 19.102 7.204) 22.895 1.626 ( -2.532 3.871 -1.324) 4.811 1.657 ( 3.914 -2.554 0.219) 4.679 2.323 ( -4.679 -11.667 -1.138) 12.622 2.751 ( 4.354 2.198 4.556) 6.674 2.767 ( 1.954 4.145 2.069) 5.028 2.850 ( 3.022 -4.783 0.083) 5.658 3.026 ( 0.106 11.978 1.865) 12.123 3.224 ( 2.256 -5.837 4.908) 7.953 3.311 ( 1.331 -5.760 0.852) 5.973 3.609 ( -2.093 47.686 8.286) 48.446 3.690 ( -2.486 35.268 -1.004) 35.370 3.756 ( 4.699 4.998 0.472) 6.876 4.118 ( 0.195 34.745 -2.521) 34.837 4.316 ( -19.706 -6.683 5.674) 21.568 4.638 ( -3.371 -2.619 -1.726) 4.604 5.275 ( 0.785 -3.053 -3.740) 4.892 7.147 ( -3.459 20.571 0.594) 20.868 7.241 ( 0.836 23.544 0.478) 23.564 10.095 ( 4.180 -14.751 0.637) 15.345 10.276 ( 3.124 -14.085 -0.628) 14.441 10.797 ( 2.903 -0.313 0.099) 2.922 10.814 ( 3.027 -0.031 -0.168) 3.032 12.654 ( 1.638 -42.188 -0.010) 42.220 12.857 ( 1.738 -42.812 -1.031) 42.859 16.110 ( 2.823 17.684 -0.648) 17.919 16.292 ( 1.895 10.825 -1.310) 11.067 17.298 ( 4.041 -6.693 -0.218) 7.822 17.403 ( -2.608 -11.257 0.223) 11.557 17.579 ( -0.414 0.631 -2.237) 2.361 17.732 ( -10.038 -2.748 -3.563) 11.000 19.010 ( 1.258 9.865 7.673) 12.561 19.124 ( 1.293 9.818 1.235) 9.980 27.963 ( -0.892 3.431 1.364) 3.799 28.320 ( 1.805 -0.882 -1.849) 2.730 29.973 ( -2.644 -5.636 -2.144) 6.584 30.176 ( -11.712 -10.830 9.536) 18.585 30.738 ( -0.684 10.663 -5.063) 11.823 31.579 ( 1.091 -4.569 -7.150) 8.555 32.335 ( 4.246 14.246 5.314) 15.787 33.341 ( 25.707 15.932 -14.622) 33.593 ======================= Grid point 368 (146/343) ======================= q-point: ( 0.38 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -10.900 13.747 -0.171) 17.545 1.341 ( -9.799 16.321 5.151) 19.722 1.570 ( 4.392 -0.504 0.390) 4.438 1.692 ( -2.806 2.016 -1.476) 3.757 2.327 ( -3.761 -6.905 -0.929) 7.918 2.709 ( 2.838 -3.042 -0.651) 4.210 2.719 ( 6.799 10.446 1.916) 12.610 2.775 ( 2.516 -2.751 1.166) 3.906 3.069 ( -0.786 0.074 0.902) 1.199 3.153 ( 1.159 -8.040 -1.427) 8.247 3.259 ( 1.589 -3.597 1.883) 4.360 3.691 ( 6.911 3.853 2.042) 8.172 3.804 ( 1.928 10.238 -3.534) 11.001 3.977 ( 3.854 27.405 2.221) 27.764 4.351 ( 1.205 34.259 -2.309) 34.358 4.544 ( -7.663 12.501 5.238) 15.570 4.864 ( -12.531 13.229 0.386) 18.226 5.246 ( -1.173 0.918 -1.101) 1.852 7.385 ( -3.180 28.741 -1.072) 28.936 7.472 ( -7.675 27.516 1.771) 28.621 9.847 ( 9.965 -21.959 1.230) 24.145 10.068 ( 6.744 -19.329 -1.242) 20.509 10.713 ( 6.083 -0.692 -0.012) 6.122 10.735 ( 5.306 -0.545 -0.290) 5.342 12.370 ( -2.549 -38.968 0.183) 39.052 12.519 ( 0.638 -42.747 -0.817) 42.760 16.156 ( 4.170 13.613 -0.135) 14.238 16.304 ( 3.821 8.345 -0.998) 9.233 17.225 ( 0.043 -5.044 0.510) 5.070 17.407 ( -4.169 -5.176 -0.440) 6.660 17.586 ( -1.862 -1.936 -0.288) 2.701 17.854 ( -7.892 -2.966 -2.801) 8.884 19.082 ( 1.825 9.102 4.518) 10.324 19.163 ( 2.618 9.172 1.233) 9.618 28.014 ( -1.181 3.099 1.211) 3.530 28.267 ( 2.396 -0.359 -1.257) 2.729 29.974 ( -4.396 -6.009 -3.880) 8.396 30.374 ( -12.689 -10.685 9.593) 19.162 30.800 ( -1.231 9.836 -5.374) 11.276 31.497 ( 0.215 -4.243 -6.481) 7.749 32.343 ( 9.465 13.561 4.912) 17.251 32.980 ( 21.219 15.281 -5.758) 26.776 ======================= Grid point 369 (147/343) ======================= q-point: ( 0.46 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -4.962 11.019 -1.870) 12.228 1.509 ( 2.682 1.709 0.932) 3.314 1.601 ( -5.004 12.369 1.498) 13.427 1.722 ( -0.648 0.036 -1.623) 1.748 2.349 ( -2.250 -0.365 -0.721) 2.391 2.593 ( 6.133 1.258 -1.834) 6.523 2.703 ( 2.617 -2.498 0.639) 3.674 2.784 ( 0.451 15.153 -0.016) 15.160 3.020 ( 3.052 -5.044 -5.386) 7.985 3.125 ( -2.312 -2.432 1.754) 3.787 3.214 ( 2.187 -1.839 0.877) 2.990 3.589 ( 7.776 0.988 2.870) 8.347 3.804 ( 1.183 6.072 -4.207) 7.481 3.881 ( 8.391 -5.741 -4.288) 11.034 4.568 ( 5.207 31.026 1.970) 31.522 4.809 ( -10.379 6.405 4.997) 13.180 5.100 ( 0.090 23.939 -2.573) 24.077 5.362 ( -4.544 11.629 4.610) 13.309 7.705 ( -8.103 35.442 0.931) 36.369 7.896 ( -14.016 33.348 -0.061) 36.174 9.442 ( 15.353 -30.900 2.008) 34.563 9.734 ( 11.399 -27.659 -2.195) 29.996 10.584 ( 7.661 -0.252 -0.048) 7.666 10.624 ( 6.250 -0.609 -0.376) 6.290 12.193 ( -6.126 -33.453 -1.194) 34.030 12.256 ( -3.938 -36.127 0.288) 36.343 16.157 ( 4.606 8.832 0.021) 9.961 16.268 ( 4.938 5.039 -0.488) 7.073 17.219 ( -1.624 -2.335 1.147) 3.067 17.450 ( -1.659 2.148 -1.372) 3.041 17.624 ( -5.103 -5.389 1.972) 7.679 17.938 ( -5.765 -3.247 -2.911) 7.229 19.120 ( 2.450 7.147 2.193) 7.867 19.175 ( 3.611 8.112 1.144) 8.953 28.047 ( -0.095 1.596 -0.517) 1.681 28.232 ( 1.386 1.039 1.085) 2.044 30.008 ( -6.627 -5.131 -5.215) 9.871 30.566 ( -10.762 -8.463 10.010) 16.960 30.865 ( -1.537 8.386 -4.257) 9.530 31.450 ( -1.152 -3.575 -3.769) 5.321 32.237 ( 13.916 10.716 1.198) 17.604 32.734 ( 15.400 10.961 -1.661) 18.975 ======================= Grid point 370 (148/343) ======================= q-point: ( 0.54 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.771 6.608 -1.647) 6.853 1.504 ( 2.040 4.182 1.535) 4.900 1.656 ( 2.598 1.993 -3.995) 5.165 1.754 ( -1.858 3.781 0.282) 4.222 2.379 ( -0.097 2.709 -5.185) 5.851 2.531 ( 3.908 11.162 1.274) 11.895 2.648 ( 1.478 -2.400 0.280) 2.833 2.840 ( 4.796 5.633 -5.574) 9.263 2.949 ( -0.656 8.991 -3.023) 9.508 3.132 ( 0.797 -3.260 -0.153) 3.359 3.200 ( 0.405 3.597 3.398) 4.965 3.464 ( 7.293 -2.654 3.277) 8.424 3.673 ( 6.537 -6.915 -2.852) 9.934 3.829 ( -2.675 5.311 -5.674) 8.219 4.604 ( 7.252 7.793 6.724) 12.591 4.994 ( -7.918 -6.378 -1.866) 10.337 5.260 ( 4.228 36.558 -0.217) 36.803 5.521 ( 0.583 12.552 5.728) 13.809 8.183 ( -14.151 39.517 2.053) 42.025 8.391 ( -13.385 31.005 -0.508) 33.775 8.901 ( 18.734 -37.507 2.267) 41.987 9.272 ( 12.874 -31.491 -3.253) 34.176 10.451 ( 6.988 0.310 -0.167) 6.997 10.512 ( 5.654 -0.224 -0.183) 5.661 12.087 ( -8.215 -28.222 -0.495) 29.397 12.166 ( -9.366 -25.171 -0.670) 26.865 16.124 ( 4.285 4.690 0.096) 6.353 16.201 ( 5.256 2.201 -0.228) 5.703 17.255 ( -2.003 0.691 1.806) 2.784 17.470 ( 1.249 4.421 -1.019) 4.705 17.707 ( -6.497 -4.843 2.395) 8.450 17.984 ( -4.234 -3.925 -3.285) 6.642 19.123 ( 2.883 5.038 0.880) 5.871 19.161 ( 4.362 6.336 0.907) 7.745 28.033 ( 1.154 0.062 -2.198) 2.483 28.242 ( 0.405 1.965 3.085) 3.680 30.082 ( -8.298 -3.665 -5.266) 10.489 30.739 ( -8.344 -5.814 10.057) 14.303 30.926 ( -1.174 6.755 -2.622) 7.340 31.441 ( -1.189 -3.014 -0.132) 3.243 32.037 ( 14.045 7.342 -4.046) 16.356 32.554 ( 11.838 6.504 0.074) 13.508 ======================= Grid point 371 (149/343) ======================= q-point: ( 0.62 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 2.451 4.119 -0.669) 4.840 1.438 ( 5.971 -4.195 0.572) 7.320 1.645 ( -0.201 8.873 -3.208) 9.437 1.803 ( -1.002 3.577 0.794) 3.798 2.326 ( 2.631 2.013 -6.964) 7.711 2.578 ( 6.496 15.945 1.017) 17.247 2.636 ( -3.585 -2.777 -3.776) 5.901 2.772 ( 2.315 7.873 -1.192) 8.293 3.035 ( 1.259 14.631 -0.645) 14.699 3.094 ( 0.938 -2.314 1.129) 2.741 3.228 ( 3.491 4.933 2.459) 6.524 3.345 ( 3.433 -5.274 3.309) 7.110 3.537 ( 3.865 -3.251 0.152) 5.052 3.911 ( -5.204 6.861 -7.916) 11.697 4.526 ( 6.758 -6.551 10.281) 13.939 4.988 ( 0.995 -5.582 -5.089) 7.619 5.426 ( 4.979 26.950 1.589) 27.452 5.585 ( 2.761 10.963 2.561) 11.592 8.259 ( 20.496 -38.249 0.079) 43.394 8.475 ( 13.829 -26.841 1.011) 30.210 8.763 ( -16.630 37.269 2.747) 40.903 9.152 ( -13.000 19.639 -3.332) 23.787 10.344 ( 5.016 0.175 -0.493) 5.043 10.427 ( 3.764 0.214 0.337) 3.785 12.097 ( -11.880 -19.050 0.378) 22.454 12.197 ( -11.677 -17.417 -1.586) 21.029 16.077 ( 3.656 1.684 0.307) 4.037 16.115 ( 4.943 0.059 -0.351) 4.956 17.312 ( -1.554 2.883 1.987) 3.831 17.466 ( 1.902 3.864 -0.273) 4.315 17.792 ( -4.622 -2.566 1.251) 5.432 18.007 ( -3.799 -4.313 -2.581) 6.301 19.101 ( 3.157 3.133 0.431) 4.469 19.119 ( 4.892 3.868 0.456) 6.253 28.000 ( 0.754 -0.426 -2.242) 2.404 28.259 ( 1.186 1.427 2.938) 3.475 30.190 ( -8.682 -1.854 -3.920) 9.704 30.872 ( -4.040 -4.088 9.760) 11.327 30.972 ( -0.612 5.557 -1.924) 5.912 31.432 ( 0.895 -3.200 2.794) 4.341 31.843 ( 8.315 5.811 -7.718) 12.747 32.398 ( 9.323 1.955 0.205) 9.528 ======================= Grid point 372 (150/343) ======================= q-point: (-0.31 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 4.774 -3.667 0.153) 6.022 1.347 ( 1.890 0.569 -0.367) 2.008 1.715 ( -1.227 6.702 0.240) 6.817 1.861 ( -0.913 6.275 1.280) 6.469 2.270 ( 4.877 8.458 -4.085) 10.583 2.563 ( 4.282 8.989 0.730) 9.983 2.649 ( -2.749 -1.002 -4.045) 4.992 2.850 ( -0.577 11.758 -0.134) 11.773 3.064 ( 3.098 0.859 2.667) 4.177 3.105 ( 3.015 10.243 1.522) 10.785 3.156 ( 2.627 -0.362 -0.215) 2.660 3.342 ( -1.801 -0.350 2.600) 3.182 3.492 ( 1.296 0.578 4.089) 4.329 4.005 ( -3.877 8.417 -9.533) 13.295 4.381 ( 7.713 -14.652 11.374) 20.089 4.838 ( 7.605 -8.178 -3.939) 11.842 5.434 ( 9.263 12.341 0.634) 15.443 5.649 ( 1.031 13.481 -1.670) 13.623 7.618 ( 19.971 -36.631 -1.485) 41.748 7.958 ( 16.393 -33.654 1.826) 37.478 9.307 ( -15.041 30.841 0.959) 34.327 9.592 ( -15.692 24.097 -0.755) 28.766 10.276 ( 2.009 -0.155 -0.743) 2.147 10.390 ( 0.897 0.575 0.850) 1.363 12.236 ( -14.805 -9.847 0.330) 17.784 12.318 ( -13.720 -9.380 -1.324) 16.673 16.008 ( 4.789 -0.962 -0.161) 4.887 16.042 ( 2.473 -0.832 0.088) 2.611 17.361 ( -0.430 3.131 0.963) 3.304 17.463 ( 1.197 3.763 0.439) 3.973 17.842 ( -2.478 -1.135 -0.463) 2.764 18.035 ( -3.396 -3.734 -0.439) 5.067 19.049 ( 5.029 1.297 0.005) 5.194 19.061 ( 3.473 1.380 0.183) 3.741 27.984 ( -0.552 -0.531 -1.712) 1.876 28.246 ( 2.574 0.506 1.975) 3.284 30.313 ( -7.280 0.058 -1.751) 7.488 30.890 ( 4.852 -2.629 7.555) 9.356 31.009 ( -0.723 3.541 -2.343) 4.307 31.411 ( -1.337 -3.766 2.103) 4.516 31.765 ( 2.021 6.737 -5.598) 8.989 32.254 ( 6.715 -2.650 -0.003) 7.219 ======================= Grid point 373 (151/343) ======================= q-point: (-0.23 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.656 -2.656 0.344) 2.757 1.321 ( 1.744 -0.088 0.899) 1.964 1.764 ( 0.250 3.290 1.009) 3.450 1.929 ( -0.004 7.111 1.879) 7.355 2.189 ( 10.431 8.496 -2.004) 13.601 2.555 ( 5.855 9.393 1.856) 11.223 2.714 ( -6.105 -0.202 -0.196) 6.112 2.875 ( 5.607 3.857 -0.295) 6.812 3.025 ( -1.251 0.269 1.056) 1.659 3.102 ( 0.047 0.644 0.285) 0.706 3.214 ( -2.587 9.075 -1.063) 9.496 3.383 ( -1.882 -0.980 0.453) 2.170 3.550 ( -0.751 5.513 10.064) 11.499 4.038 ( 1.042 1.016 -9.297) 9.410 4.181 ( 7.778 -11.304 9.520) 16.700 4.570 ( 12.425 -11.755 -1.584) 17.177 5.335 ( 7.321 5.584 -3.292) 9.779 5.681 ( 3.721 8.954 -2.457) 10.003 7.056 ( 15.657 -27.298 -2.402) 31.561 7.495 ( 13.539 -23.728 2.424) 27.426 9.717 ( -11.009 18.945 -0.744) 21.924 9.979 ( -10.914 14.607 1.010) 18.261 10.279 ( -3.384 0.982 -0.641) 3.581 10.415 ( -2.489 1.128 1.096) 2.944 12.464 ( -15.676 -3.060 -0.535) 15.981 12.546 ( -16.452 -0.707 -0.009) 16.467 15.910 ( 4.557 -2.121 -0.595) 5.061 16.003 ( 1.299 -1.679 0.483) 2.177 17.378 ( 0.208 1.475 -0.654) 1.627 17.483 ( 0.452 4.255 0.786) 4.351 17.867 ( -1.401 -0.226 -0.899) 1.680 18.063 ( -1.827 -2.514 1.085) 3.292 18.963 ( 4.561 -0.695 -0.428) 4.634 19.002 ( 3.850 -0.058 -0.149) 3.853 27.997 ( -2.219 -0.405 -0.972) 2.456 28.197 ( 3.770 -0.195 0.948) 3.892 30.422 ( -4.261 2.122 0.510) 4.787 30.765 ( 8.923 -3.601 3.825) 10.355 31.018 ( 0.087 2.562 -3.647) 4.458 31.470 ( -6.352 -2.960 1.857) 7.249 31.777 ( 1.182 8.465 -2.126) 8.807 32.122 ( 4.341 -7.153 0.047) 8.367 ======================= Grid point 374 (152/343) ======================= q-point: (-0.15 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -4.047 -0.660 0.742) 4.167 1.283 ( 2.945 -0.557 1.440) 3.325 1.762 ( 4.484 6.870 0.560) 8.223 1.960 ( 2.819 3.937 2.034) 5.252 1.990 ( 12.557 -3.782 -1.330) 13.181 2.493 ( 8.262 5.339 2.242) 10.090 2.768 ( 4.209 0.415 0.738) 4.293 2.818 ( -2.113 0.671 0.916) 2.399 3.106 ( -1.879 2.102 0.144) 2.823 3.127 ( -5.568 1.404 -0.430) 5.758 3.333 ( -4.831 6.632 -1.478) 8.337 3.401 ( -1.470 -2.444 0.408) 2.882 3.629 ( 5.142 5.927 8.769) 11.767 3.809 ( 10.494 -15.511 -0.829) 18.746 4.152 ( 3.987 5.358 3.742) 7.656 4.269 ( 5.945 -10.320 -1.893) 12.060 5.245 ( 2.855 1.684 -4.910) 5.925 5.612 ( 7.331 3.225 -2.570) 8.411 6.679 ( 8.924 -12.981 -2.202) 15.906 7.173 ( 10.343 -10.761 2.011) 15.060 9.968 ( -7.837 7.446 -0.925) 10.850 10.163 ( -4.182 3.131 0.446) 5.243 10.425 ( -9.439 3.561 0.338) 10.094 10.499 ( -4.969 1.168 0.954) 5.193 12.733 ( -15.380 1.171 -0.623) 15.437 12.865 ( -17.363 3.091 0.539) 17.644 15.816 ( 3.948 -2.011 -0.711) 4.487 15.978 ( 0.458 -1.630 0.628) 1.806 17.381 ( -0.665 0.392 -1.306) 1.518 17.501 ( 1.060 2.842 0.243) 3.043 17.880 ( -0.362 0.435 -0.443) 0.719 18.073 ( 0.031 -1.105 1.473) 1.842 18.881 ( 3.241 -1.358 -0.648) 3.573 18.923 ( 4.305 -0.782 -0.709) 4.432 28.046 ( -3.757 -0.064 -0.202) 3.763 28.124 ( 4.353 -0.470 0.164) 4.381 30.492 ( 0.830 5.688 2.031) 6.097 30.602 ( 5.873 -6.482 1.607) 8.894 31.013 ( -0.248 1.949 -4.354) 4.776 31.591 ( -7.531 -1.501 1.842) 7.897 31.809 ( 1.935 10.371 -0.617) 10.568 31.994 ( 3.008 -11.255 0.274) 11.653 ======================= Grid point 375 (153/343) ======================= q-point: (-0.08 0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 8.293 0.000 2.002) 8.532 1.312 ( 3.587 -0.000 -0.970) 3.716 1.694 ( 9.545 -0.000 -0.758) 9.575 1.734 ( 6.571 0.000 0.141) 6.572 1.904 ( 5.974 0.000 1.461) 6.150 2.369 ( 8.634 0.000 2.159) 8.900 2.733 ( -0.382 0.000 0.236) 0.449 2.837 ( 0.850 0.000 0.726) 1.118 3.113 ( 1.475 -0.000 -0.708) 1.637 3.284 ( -9.094 0.000 0.643) 9.117 3.400 ( 2.072 0.000 3.625) 4.176 3.446 ( -4.870 -0.000 -1.087) 4.990 3.505 ( 7.770 -0.000 -3.192) 8.400 3.556 ( 11.813 0.000 1.874) 11.960 3.948 ( 13.858 0.000 1.230) 13.913 4.382 ( -11.309 0.000 3.714) 11.903 5.214 ( -1.355 -0.000 -3.909) 4.137 5.455 ( 9.599 -0.000 -2.194) 9.847 6.530 ( 2.022 -0.000 -1.371) 2.443 6.986 ( 7.826 0.000 1.180) 7.915 10.114 ( -6.620 -0.000 -0.480) 6.637 10.249 ( -4.696 -0.000 0.173) 4.699 10.598 ( -7.844 0.000 0.424) 7.855 10.603 ( -5.484 0.000 0.638) 5.521 12.997 ( -13.532 -0.000 -0.451) 13.540 13.178 ( -15.579 -0.000 0.568) 15.589 15.741 ( 3.042 -0.000 -0.616) 3.104 15.974 ( -0.400 0.000 0.644) 0.758 17.399 ( -2.020 -0.000 -1.142) 2.320 17.481 ( 2.489 -0.000 -0.207) 2.497 17.876 ( 1.100 -0.000 -0.102) 1.104 18.063 ( 1.454 0.000 1.239) 1.910 18.831 ( 1.237 -0.000 -0.608) 1.378 18.835 ( 4.578 -0.000 -1.284) 4.754 28.043 ( 4.344 -0.000 -0.203) 4.349 28.125 ( -4.861 0.000 0.276) 4.869 30.431 ( 6.984 0.000 0.739) 7.023 30.557 ( -0.176 0.000 2.673) 2.678 31.011 ( -1.153 -0.000 -4.295) 4.447 31.726 ( -6.746 0.000 2.364) 7.149 31.853 ( 0.822 -0.000 -0.781) 1.134 31.855 ( 3.879 0.000 0.232) 3.886 ======================= Grid point 376 (154/343) ======================= q-point: ( 0.00 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 7.968 0.000 -0.000) 7.968 1.307 ( 4.556 0.000 -0.000) 4.556 1.690 ( 8.820 0.000 -0.000) 8.820 1.735 ( 7.126 0.000 -0.000) 7.126 1.912 ( 6.049 0.000 -0.000) 6.049 2.380 ( 8.507 0.000 -0.000) 8.507 2.734 ( -0.487 -0.000 0.000) 0.487 2.841 ( 0.997 0.000 -0.000) 0.997 3.109 ( 1.613 0.000 -0.000) 1.613 3.288 ( -9.301 -0.000 0.000) 9.301 3.425 ( -1.679 -0.000 0.000) 1.679 3.440 ( -4.914 -0.000 0.000) 4.914 3.482 ( 11.690 0.000 -0.000) 11.690 3.566 ( 12.503 0.000 -0.000) 12.503 3.955 ( 14.356 0.000 -0.000) 14.356 4.403 ( -12.275 -0.000 0.000) 12.275 5.193 ( -1.477 -0.000 0.000) 1.477 5.443 ( 9.657 0.000 -0.000) 9.657 6.523 ( 1.940 0.000 -0.000) 1.940 6.992 ( 7.913 0.000 -0.000) 7.913 10.112 ( -6.679 -0.000 0.000) 6.679 10.249 ( -4.706 -0.000 0.000) 4.706 10.600 ( -7.844 -0.000 0.000) 7.844 10.606 ( -5.476 -0.000 0.000) 5.476 12.995 ( -13.519 -0.000 0.000) 13.519 13.181 ( -15.624 -0.000 0.000) 15.624 15.738 ( 3.072 0.000 -0.000) 3.072 15.977 ( -0.472 -0.000 0.000) 0.472 17.393 ( -2.016 -0.000 0.000) 2.016 17.479 ( 2.594 0.000 -0.000) 2.594 17.875 ( 1.065 0.000 -0.000) 1.065 18.069 ( 1.394 0.000 -0.000) 1.394 18.828 ( 4.896 0.000 -0.000) 4.896 18.828 ( 1.272 0.000 -0.000) 1.272 28.042 ( 4.462 0.000 -0.000) 4.462 28.126 ( -5.018 -0.000 0.000) 5.018 30.435 ( 7.029 0.000 -0.000) 7.029 30.572 ( -0.508 -0.000 0.000) 0.508 30.987 ( -0.811 -0.000 0.000) 0.811 31.740 ( -7.719 -0.000 0.000) 7.719 31.847 ( 1.602 0.000 -0.000) 1.602 31.856 ( 3.872 0.000 -0.000) 3.872 ======================= Grid point 380 (155/343) ======================= q-point: ( 0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 12.869 12.317) 17.813 0.791 ( 0.000 19.927 10.875) 22.701 1.560 ( 0.000 4.745 -2.252) 5.252 1.719 ( -0.000 -3.499 -0.532) 3.539 2.370 ( -0.000 -12.333 1.198) 12.391 2.584 ( 0.000 50.271 4.250) 50.450 2.854 ( 0.000 2.273 1.341) 2.639 2.909 ( 0.000 18.174 3.871) 18.581 2.911 ( -0.000 -3.943 -0.036) 3.943 3.261 ( 0.000 57.740 -0.219) 57.740 3.295 ( 0.000 6.469 1.563) 6.655 3.374 ( -0.000 -5.506 -0.631) 5.542 3.643 ( 0.000 -27.053 29.834) 40.274 3.768 ( 0.000 6.702 -1.546) 6.878 3.926 ( 0.000 10.444 -3.317) 10.959 4.089 ( 0.000 6.684 7.908) 10.355 4.661 ( -0.000 -7.029 -1.772) 7.249 5.275 ( -0.000 -2.897 -6.464) 7.084 7.007 ( 0.000 14.985 2.425) 15.180 7.098 ( 0.000 19.604 -0.285) 19.606 10.221 ( -0.000 -10.663 0.807) 10.693 10.389 ( -0.000 -11.124 -0.840) 11.156 10.823 ( 0.000 0.053 0.209) 0.216 10.840 ( 0.000 0.194 -0.092) 0.215 12.970 ( -0.000 -38.777 -1.173) 38.795 13.158 ( -0.000 -38.053 -1.506) 38.083 15.998 ( 0.000 18.835 -0.756) 18.850 16.218 ( 0.000 11.479 -2.109) 11.671 17.452 ( -0.000 -10.584 -2.332) 10.838 17.455 ( -0.000 -10.955 -0.427) 10.963 17.533 ( -0.000 2.830 -4.642) 5.436 17.581 ( -0.000 0.741 -1.038) 1.276 19.024 ( 0.000 5.578 10.496) 11.886 19.073 ( 0.000 9.901 1.733) 10.051 27.940 ( 0.000 2.941 1.960) 3.534 28.330 ( -0.000 -0.697 -2.829) 2.913 29.973 ( -0.000 -2.085 1.673) 2.673 30.199 ( -0.000 -14.898 11.312) 18.706 30.631 ( 0.000 9.513 -4.738) 10.627 31.584 ( -0.000 -6.263 -8.374) 10.457 32.298 ( 0.000 14.859 5.205) 15.745 33.360 ( -0.000 24.720 -31.655) 40.163 ======================= Grid point 381 (156/343) ======================= q-point: ( 0.38 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -6.408 13.698 8.390) 17.294 1.082 ( -9.098 17.713 9.283) 21.970 1.607 ( -2.450 4.556 -2.210) 5.625 1.655 ( 3.451 -2.733 -0.764) 4.467 2.326 ( -2.477 -9.207 1.749) 9.693 2.755 ( 0.779 4.259 -1.248) 4.506 2.803 ( 7.288 5.151 2.040) 9.155 2.852 ( 2.431 -4.621 0.347) 5.233 3.053 ( 0.326 8.478 2.989) 8.995 3.266 ( 6.443 -1.870 2.026) 7.008 3.336 ( 4.057 0.731 4.305) 5.960 3.675 ( -1.404 29.107 -0.046) 29.141 3.710 ( -2.976 30.125 7.070) 31.086 3.773 ( 4.205 11.933 4.698) 13.496 4.086 ( -0.755 35.237 -3.433) 35.412 4.388 ( -17.525 -8.866 7.774) 21.123 4.615 ( -3.957 -0.471 -2.505) 4.707 5.223 ( -0.750 -2.849 -5.954) 6.643 7.153 ( -1.833 20.620 0.500) 20.708 7.247 ( -0.495 22.980 0.704) 22.996 10.104 ( 4.115 -14.625 1.075) 15.231 10.266 ( 3.223 -14.134 -1.183) 14.545 10.798 ( 2.988 -0.311 0.143) 3.007 10.812 ( 3.105 -0.007 -0.186) 3.110 12.656 ( 1.283 -41.792 0.492) 41.814 12.843 ( 1.600 -42.691 -1.646) 42.752 16.104 ( 2.329 17.207 -0.308) 17.366 16.275 ( 1.686 11.203 -1.987) 11.502 17.296 ( 3.319 -6.821 -0.138) 7.587 17.406 ( -2.264 -11.056 0.291) 11.289 17.551 ( -1.757 0.728 -2.922) 3.487 17.697 ( -9.633 -1.506 -2.933) 10.181 19.092 ( 2.492 7.833 7.399) 11.060 19.140 ( 1.476 9.814 1.830) 10.092 27.982 ( -0.822 3.183 2.141) 3.923 28.295 ( 1.488 -0.578 -2.862) 3.277 29.960 ( -0.531 -5.207 -0.461) 5.254 30.283 ( -11.937 -12.442 10.206) 20.037 30.679 ( -0.890 9.547 -5.616) 11.112 31.488 ( -0.261 -6.367 -9.981) 11.842 32.400 ( 4.980 16.046 6.764) 18.112 33.175 ( 19.096 21.383 -15.951) 32.808 ======================= Grid point 382 (157/343) ======================= q-point: ( 0.46 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -8.100 12.996 2.725) 15.554 1.400 ( -7.909 15.591 5.827) 18.428 1.567 ( 3.973 -0.491 -1.216) 4.184 1.675 ( -2.757 2.372 -1.475) 3.925 2.329 ( -2.516 -5.523 1.352) 6.218 2.687 ( 5.551 -0.261 -2.648) 6.156 2.743 ( 5.461 9.026 1.777) 10.698 2.786 ( 2.719 -2.440 0.866) 3.755 3.076 ( 1.246 -0.920 0.228) 1.565 3.146 ( 2.750 -5.475 0.290) 6.133 3.281 ( 2.930 -2.433 2.121) 4.359 3.710 ( 5.258 1.550 1.661) 5.727 3.766 ( 2.059 8.764 -3.480) 9.652 3.993 ( 6.077 14.485 0.499) 15.716 4.337 ( 0.941 41.742 -0.210) 41.753 4.594 ( -6.761 17.956 4.093) 19.618 4.872 ( -12.245 10.212 1.191) 15.989 5.232 ( -4.643 1.248 -1.587) 5.063 7.375 ( -3.941 28.579 -0.843) 28.862 7.491 ( -6.893 27.555 1.631) 28.451 9.863 ( 9.723 -21.702 1.783) 23.847 10.052 ( 6.968 -19.581 -1.840) 20.865 10.713 ( 6.157 -0.650 -0.032) 6.191 10.732 ( 5.420 -0.438 -0.282) 5.445 12.373 ( -2.084 -39.331 0.372) 39.388 12.509 ( 0.202 -42.375 -1.089) 42.389 16.156 ( 3.873 13.089 0.061) 13.650 16.292 ( 3.516 8.797 -1.269) 9.558 17.232 ( -0.256 -4.974 0.668) 5.025 17.402 ( -3.476 -4.972 -0.616) 6.098 17.583 ( -3.602 -2.266 -0.315) 4.268 17.824 ( -7.805 -2.472 -2.805) 8.654 19.131 ( 2.959 7.770 4.405) 9.409 19.178 ( 2.888 9.319 1.562) 9.880 28.028 ( -0.619 2.629 1.472) 3.076 28.252 ( 1.472 0.264 -1.588) 2.181 29.938 ( -3.119 -6.313 -2.996) 7.652 30.482 ( -12.621 -10.574 10.492) 19.524 30.741 ( -1.945 9.214 -5.472) 10.892 31.416 ( -2.176 -5.362 -8.760) 10.498 32.399 ( 11.418 14.172 5.518) 19.017 32.916 ( 18.183 17.310 -6.126) 25.842 ======================= Grid point 383 (158/343) ======================= q-point: ( 0.54 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -3.995 10.850 -0.693) 11.583 1.505 ( 3.025 3.855 -1.831) 5.231 1.621 ( -3.790 9.326 2.274) 10.320 1.707 ( -0.583 0.268 -1.175) 1.339 2.342 ( -1.554 -2.433 -0.552) 2.939 2.576 ( 6.155 3.842 -1.191) 7.353 2.709 ( 2.423 -3.402 0.531) 4.210 2.786 ( 2.467 16.285 0.309) 16.474 2.960 ( 4.715 -4.928 -5.811) 8.960 3.145 ( -1.501 -1.701 2.036) 3.048 3.228 ( 2.405 -0.440 1.546) 2.893 3.617 ( 6.757 -0.388 2.388) 7.177 3.756 ( 1.067 4.355 -4.600) 6.424 3.834 ( 8.061 -6.499 -4.384) 11.244 4.592 ( 4.599 33.793 2.424) 34.190 4.859 ( -9.594 3.195 4.292) 10.985 5.075 ( 1.252 26.108 -2.132) 26.225 5.408 ( -6.798 10.981 4.145) 13.563 7.715 ( -9.153 35.494 1.010) 36.669 7.895 ( -13.087 33.457 -0.087) 35.925 9.466 ( 15.272 -30.645 2.638) 34.341 9.707 ( 11.638 -28.128 -2.856) 30.574 10.583 ( 7.639 -0.323 -0.079) 7.646 10.620 ( 6.344 -0.359 -0.342) 6.364 12.180 ( -5.659 -34.049 -1.120) 34.534 12.258 ( -4.296 -35.665 0.171) 35.923 16.157 ( 4.399 8.296 0.062) 9.391 16.263 ( 4.779 5.421 -0.497) 7.244 17.233 ( -1.790 -1.823 1.392) 2.910 17.434 ( -1.687 1.546 -1.651) 2.822 17.647 ( -5.962 -5.120 2.292) 8.186 17.906 ( -5.525 -3.267 -3.174) 7.160 19.143 ( 3.162 6.230 2.043) 7.279 19.188 ( 3.881 8.351 1.246) 9.293 28.041 ( 0.946 0.950 -0.633) 1.482 28.244 ( 0.099 1.881 1.202) 2.235 29.957 ( -6.182 -5.648 -4.304) 9.415 30.676 ( -10.255 -7.880 10.702) 16.787 30.820 ( -2.724 8.036 -4.129) 9.437 31.400 ( -4.001 -4.005 -5.828) 8.125 32.250 ( 16.675 10.042 1.258) 19.506 32.717 ( 14.376 12.630 -1.387) 19.186 ======================= Grid point 384 (159/343) ======================= q-point: ( 0.62 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.802 7.175 -1.140) 7.309 1.508 ( 0.747 7.739 -1.214) 7.869 1.617 ( 4.264 -1.924 -2.812) 5.458 1.757 ( -1.962 3.984 0.271) 4.450 2.320 ( 0.089 -3.675 -5.612) 6.708 2.551 ( 4.048 13.700 2.291) 14.468 2.650 ( 1.900 -2.787 0.057) 3.374 2.787 ( 5.747 4.656 -4.460) 8.637 2.922 ( -1.121 13.293 -2.058) 13.499 3.135 ( 1.143 -2.351 0.580) 2.678 3.235 ( 0.514 4.087 3.085) 5.146 3.496 ( 6.794 -3.202 2.794) 8.014 3.646 ( 5.153 -6.289 -2.248) 8.436 3.765 ( -1.838 4.376 -6.239) 7.839 4.673 ( 6.283 12.441 6.109) 15.218 4.973 ( -5.776 -9.840 -2.106) 11.603 5.260 ( 3.154 36.906 0.258) 37.042 5.576 ( 0.358 11.297 4.660) 12.226 8.205 ( -14.286 39.110 2.027) 41.687 8.385 ( -13.561 32.340 -0.533) 35.072 8.928 ( 19.065 -37.244 2.698) 41.927 9.235 ( 12.961 -32.631 -3.674) 35.303 10.449 ( 7.016 0.054 -0.185) 7.019 10.510 ( 5.588 0.149 -0.132) 5.592 12.082 ( -8.831 -27.720 -0.487) 29.097 12.159 ( -8.764 -25.906 -0.602) 27.355 16.125 ( 4.033 4.261 0.082) 5.868 16.199 ( 5.327 2.428 -0.188) 5.857 17.276 ( -1.950 1.373 2.078) 3.163 17.456 ( 0.602 4.253 -1.567) 4.572 17.736 ( -6.099 -5.044 3.226) 8.547 17.946 ( -4.393 -4.078 -3.820) 7.108 19.132 ( 3.144 4.600 0.795) 5.628 19.171 ( 4.638 6.459 0.820) 7.994 28.013 ( 1.488 -0.154 -1.660) 2.234 28.272 ( 0.103 2.319 2.482) 3.398 30.033 ( -8.588 -4.051 -4.033) 10.317 30.842 ( -7.411 -4.416 9.176) 12.595 30.901 ( -2.475 5.583 -1.796) 6.366 31.432 ( -4.043 -2.493 -1.534) 4.991 31.995 ( 16.637 5.879 -3.715) 18.032 32.555 ( 12.026 7.783 0.128) 14.326 ======================= Grid point 385 (160/343) ======================= q-point: ( 0.69 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 2.066 4.761 -0.508) 5.215 1.441 ( 6.829 -5.736 0.021) 8.918 1.613 ( -2.056 11.137 -2.781) 11.662 1.810 ( -1.343 3.558 0.518) 3.839 2.256 ( 0.464 -1.443 -5.989) 6.178 2.587 ( 6.184 12.457 0.420) 13.914 2.600 ( -0.500 -0.600 -2.669) 2.780 2.769 ( 0.052 8.700 0.221) 8.703 3.031 ( 1.199 17.162 -0.111) 17.204 3.107 ( 0.693 -1.828 1.248) 2.320 3.250 ( 4.584 5.516 1.720) 7.376 3.379 ( 2.936 -6.150 3.075) 7.477 3.545 ( 2.849 -1.286 1.421) 3.434 3.820 ( -4.799 5.046 -8.927) 11.322 4.632 ( 5.967 -4.649 9.673) 12.280 4.934 ( 1.985 -4.047 -5.329) 6.980 5.443 ( 3.284 26.054 1.580) 26.307 5.607 ( 5.285 9.196 1.494) 10.711 8.259 ( 21.005 -37.832 0.021) 43.272 8.485 ( 13.828 -27.089 0.833) 30.426 8.794 ( -15.832 35.774 2.916) 39.229 9.116 ( -14.256 21.158 -3.370) 25.735 10.339 ( 5.094 -0.080 -0.395) 5.110 10.430 ( 3.589 0.543 0.272) 3.640 12.102 ( -12.153 -19.138 0.532) 22.677 12.180 ( -11.559 -17.661 -1.529) 21.163 16.081 ( 3.374 1.423 0.306) 3.674 16.112 ( 5.169 0.184 -0.340) 5.183 17.333 ( -1.078 3.308 2.025) 4.026 17.461 ( 1.497 4.446 -0.734) 4.748 17.807 ( -3.589 -3.492 1.603) 5.258 17.980 ( -4.993 -4.220 -2.573) 7.026 19.106 ( 3.211 2.983 0.352) 4.397 19.124 ( 5.170 3.912 0.365) 6.494 27.980 ( 0.685 -0.593 -1.542) 1.788 28.286 ( 1.473 1.644 2.108) 3.053 30.156 ( -9.441 -2.034 -2.673) 10.021 30.953 ( -1.341 4.905 -1.115) 5.206 30.970 ( -3.066 -3.472 7.948) 9.200 31.464 ( 0.516 -1.913 3.454) 3.982 31.757 ( 8.350 4.087 -8.397) 12.527 32.400 ( 9.736 2.732 0.132) 10.113 ======================= Grid point 386 (161/343) ======================= q-point: (-0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 4.529 -4.672 0.009) 6.507 1.344 ( 1.558 1.665 -0.254) 2.294 1.718 ( -2.066 7.049 0.282) 7.351 1.872 ( -1.326 6.229 0.819) 6.421 2.233 ( 3.143 8.233 -2.835) 9.257 2.570 ( 1.610 5.614 0.516) 5.863 2.614 ( -1.560 2.600 -2.568) 3.974 2.849 ( -0.183 9.914 -0.162) 9.917 3.089 ( 2.379 1.593 2.095) 3.548 3.118 ( 2.103 11.661 0.947) 11.887 3.154 ( 5.089 -1.188 -0.195) 5.230 3.364 ( -1.384 -1.685 1.502) 2.648 3.551 ( -0.286 3.775 7.196) 8.131 3.894 ( -4.279 6.516 -11.151) 13.606 4.493 ( 7.396 -15.728 9.517) 19.816 4.795 ( 7.804 -3.753 -4.160) 9.607 5.449 ( 10.779 9.225 1.955) 14.321 5.625 ( 1.571 14.482 -2.611) 14.799 7.605 ( 20.566 -37.210 -0.993) 42.527 7.974 ( 15.982 -33.081 1.212) 36.759 9.316 ( -14.276 29.919 0.711) 33.158 9.585 ( -16.583 25.225 -0.568) 30.193 10.270 ( 2.063 -0.305 -0.482) 2.140 10.398 ( 0.723 0.791 0.562) 1.210 12.240 ( -14.663 -10.570 0.390) 18.080 12.305 ( -14.122 -8.976 -1.094) 16.769 16.007 ( 5.132 -1.118 -0.106) 5.254 16.043 ( 2.146 -0.709 0.055) 2.260 17.370 ( 0.397 2.854 0.679) 2.961 17.468 ( 1.039 4.710 0.334) 4.834 17.838 ( -2.158 -2.039 -0.409) 2.997 18.032 ( -4.342 -3.388 -0.248) 5.513 19.049 ( 5.291 1.285 0.008) 5.445 19.063 ( 3.555 1.358 0.117) 3.808 27.969 ( -0.809 -0.747 -1.066) 1.533 28.263 ( 3.033 0.738 1.248) 3.362 30.299 ( -8.287 -0.062 -0.996) 8.346 30.958 ( 5.792 -0.839 4.752) 7.539 30.991 ( 0.827 1.965 -0.664) 2.233 31.431 ( -0.361 -3.303 1.712) 3.738 31.709 ( -0.920 5.876 -4.804) 7.646 32.254 ( 6.911 -2.274 -0.020) 7.276 ======================= Grid point 387 (162/343) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -1.046 -3.028 0.149) 3.207 1.328 ( 1.354 0.343 0.426) 1.460 1.773 ( 0.105 3.103 0.653) 3.173 1.944 ( -0.323 7.342 1.005) 7.418 2.172 ( 10.145 8.310 -1.046) 13.156 2.571 ( 5.729 9.532 1.110) 11.176 2.711 ( -7.980 0.293 -0.255) 7.989 2.872 ( 5.191 4.738 -0.341) 7.036 3.036 ( -0.108 -0.754 0.887) 1.169 3.103 ( 0.216 0.329 -0.062) 0.399 3.205 ( -2.203 8.551 -0.573) 8.849 3.386 ( -1.621 -1.317 0.104) 2.091 3.668 ( -1.442 6.487 12.029) 13.743 3.926 ( -0.552 4.738 -11.571) 12.516 4.265 ( 7.479 -18.102 5.940) 20.467 4.555 ( 13.094 -7.441 -1.233) 15.111 5.311 ( 8.898 4.285 -1.380) 9.972 5.657 ( 3.953 9.440 -1.870) 10.404 7.036 ( 15.862 -27.702 -1.258) 31.947 7.514 ( 13.451 -23.339 1.258) 26.966 9.711 ( -10.709 18.475 -0.402) 21.358 9.987 ( -11.066 15.002 0.548) 18.649 10.274 ( -3.555 1.066 -0.325) 3.725 10.424 ( -2.575 1.235 0.591) 2.916 12.460 ( -15.554 -3.512 -0.298) 15.949 12.546 ( -16.843 -0.429 -0.010) 16.848 15.906 ( 4.718 -2.129 -0.307) 5.185 16.006 ( 1.165 -1.643 0.243) 2.029 17.372 ( 0.660 1.176 -0.387) 1.403 17.490 ( 0.729 4.684 0.471) 4.763 17.859 ( -1.606 -0.548 -0.521) 1.775 18.072 ( -2.222 -2.296 0.618) 3.254 18.959 ( 4.740 -0.743 -0.225) 4.804 19.000 ( 4.079 -0.054 -0.111) 4.081 27.990 ( -2.567 -0.634 -0.505) 2.691 28.205 ( 4.198 0.063 0.491) 4.227 30.427 ( -5.344 1.864 0.380) 5.673 30.798 ( 10.416 -3.341 2.218) 11.162 30.988 ( 0.916 2.786 -2.031) 3.568 31.485 ( -6.519 -2.951 0.962) 7.220 31.758 ( -0.037 8.172 -1.285) 8.273 32.122 ( 4.272 -7.072 0.022) 8.262 ======================= Grid point 388 (163/343) ======================= q-point: (-0.08 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -4.799 -1.193 0.176) 4.948 1.294 ( 3.275 -0.073 0.544) 3.321 1.767 ( 5.336 7.890 0.212) 9.527 1.975 ( 3.196 3.631 0.772) 4.898 1.981 ( 11.356 -4.601 -0.454) 12.261 2.509 ( 7.914 5.473 0.765) 9.652 2.773 ( 4.722 -0.277 0.210) 4.735 2.824 ( -2.577 1.817 0.306) 3.168 3.107 ( -0.551 1.180 0.099) 1.306 3.124 ( -6.653 2.699 -0.177) 7.182 3.322 ( -4.998 6.132 -0.573) 7.932 3.404 ( -1.779 -2.019 0.145) 2.695 3.715 ( 8.269 0.519 7.344) 11.072 3.780 ( 9.872 -6.990 -4.576) 12.933 4.192 ( -3.975 -1.968 3.197) 5.468 4.246 ( 11.194 -6.486 -2.229) 13.128 5.209 ( 3.525 1.441 -1.750) 4.191 5.591 ( 7.494 3.321 -1.064) 8.266 6.663 ( 8.904 -13.108 -0.751) 15.864 7.188 ( 10.421 -10.648 0.680) 14.914 9.961 ( -7.873 7.411 -0.316) 10.817 10.166 ( -4.048 2.988 0.138) 5.033 10.428 ( -9.623 3.760 0.134) 10.332 10.506 ( -4.962 1.183 0.343) 5.113 12.729 ( -15.401 1.086 -0.214) 15.441 12.868 ( -17.498 3.130 0.182) 17.776 15.811 ( 4.039 -2.018 -0.240) 4.522 15.982 ( 0.354 -1.598 0.211) 1.650 17.371 ( -0.486 0.250 -0.476) 0.725 17.503 ( 1.307 2.904 0.087) 3.186 17.877 ( -0.511 0.430 -0.150) 0.684 18.083 ( -0.108 -1.033 0.528) 1.165 18.877 ( 3.340 -1.404 -0.225) 3.630 18.918 ( 4.628 -0.785 -0.277) 4.703 28.045 ( -4.125 -0.309 -0.069) 4.137 28.126 ( 4.701 -0.197 0.056) 4.705 30.507 ( 0.408 5.524 0.809) 5.598 30.614 ( 5.971 -6.358 0.597) 8.743 30.981 ( 0.508 2.064 -1.613) 2.668 31.604 ( -7.892 -1.685 0.653) 8.096 31.804 ( 1.824 10.619 -0.256) 10.778 31.996 ( 2.860 -11.397 0.096) 11.751 ======================= Grid point 394 (164/343) ======================= q-point: ( 0.38 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 10.200 16.112) 19.070 0.915 ( 0.000 17.958 12.350) 21.795 1.531 ( 0.000 5.678 -3.348) 6.592 1.704 ( -0.000 -3.499 -2.707) 4.424 2.389 ( -0.000 -8.576 2.529) 8.942 2.624 ( 0.000 37.834 2.935) 37.947 2.861 ( 0.000 1.160 0.312) 1.201 2.910 ( -0.000 -4.070 -0.188) 4.074 2.953 ( 0.000 25.321 4.773) 25.766 3.259 ( 0.000 57.638 -0.119) 57.638 3.307 ( 0.000 12.147 0.920) 12.182 3.365 ( -0.000 -6.546 -1.180) 6.652 3.749 ( 0.000 5.253 -1.768) 5.542 3.885 ( 0.000 11.347 -4.413) 12.174 3.932 ( -0.000 -29.718 23.996) 38.196 4.189 ( 0.000 4.944 11.053) 12.108 4.638 ( -0.000 -8.052 -2.700) 8.493 5.191 ( -0.000 -2.483 -9.382) 9.704 7.030 ( 0.000 14.706 2.010) 14.842 7.094 ( 0.000 19.230 -0.398) 19.234 10.232 ( -0.000 -10.634 1.207) 10.703 10.377 ( -0.000 -10.958 -1.502) 11.060 10.826 ( 0.000 0.025 0.268) 0.269 10.839 ( 0.000 0.132 -0.075) 0.151 12.964 ( -0.000 -37.823 0.145) 37.823 13.139 ( -0.000 -38.015 -2.145) 38.075 15.996 ( 0.000 17.864 0.349) 17.868 16.192 ( 0.000 11.908 -2.855) 12.246 17.423 ( -0.000 -4.386 -2.641) 5.120 17.449 ( -0.000 -10.351 -0.670) 10.373 17.507 ( -0.000 -3.028 -0.919) 3.165 17.568 ( -0.000 0.033 -1.350) 1.350 19.094 ( 0.000 9.896 2.266) 10.152 19.114 ( 0.000 5.521 6.480) 8.513 27.966 ( 0.000 2.675 2.869) 3.923 28.294 ( -0.000 -0.420 -3.899) 3.922 29.996 ( 0.000 -1.791 2.567) 3.130 30.300 ( -0.000 -13.662 6.210) 15.007 30.602 ( 0.000 3.067 0.771) 3.162 31.484 ( -0.000 -9.089 -10.547) 13.923 32.357 ( 0.000 17.858 5.916) 18.812 33.066 ( 0.000 32.220 -23.642) 39.964 ======================= Grid point 395 (165/343) ======================= q-point: ( 0.46 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -2.528 11.401 12.532) 17.130 1.183 ( -7.509 16.352 9.676) 20.430 1.579 ( -2.087 5.444 -3.292) 6.696 1.637 ( 2.473 -2.227 -2.745) 4.314 2.358 ( -0.633 -6.304 4.215) 7.610 2.730 ( 2.584 6.001 -3.525) 7.424 2.814 ( 5.452 3.000 0.512) 6.244 2.856 ( 1.850 -4.363 0.330) 4.750 3.087 ( 0.388 4.199 3.558) 5.517 3.272 ( 4.859 -3.188 -0.473) 5.831 3.383 ( 9.876 16.140 3.585) 19.258 3.676 ( -0.726 26.460 0.769) 26.481 3.741 ( 0.478 8.674 0.792) 8.724 3.876 ( 1.891 21.735 11.909) 24.856 4.049 ( -1.285 33.591 -3.311) 33.778 4.466 ( -10.090 -10.352 5.560) 15.488 4.595 ( -8.983 2.341 -0.203) 9.286 5.151 ( -3.041 -2.638 -7.767) 8.748 7.157 ( -0.332 20.837 0.255) 20.841 7.255 ( -1.803 22.411 0.732) 22.496 10.118 ( 4.018 -14.487 1.498) 15.108 10.251 ( 3.301 -14.145 -1.728) 14.628 10.800 ( 3.102 -0.305 0.160) 3.121 10.810 ( 3.167 -0.020 -0.152) 3.171 12.665 ( 1.129 -41.604 1.196) 41.636 12.823 ( 1.381 -42.518 -2.136) 42.594 16.104 ( 2.016 16.420 0.395) 16.548 16.252 ( 1.382 11.741 -2.403) 12.064 17.296 ( 2.594 -7.116 0.046) 7.575 17.409 ( -1.831 -10.782 0.286) 10.940 17.521 ( -2.979 0.569 -2.594) 3.991 17.671 ( -8.874 -0.946 -2.055) 9.158 19.158 ( 2.477 7.638 4.236) 9.079 19.162 ( 2.206 9.312 3.040) 10.041 28.008 ( -0.617 2.811 2.789) 4.007 28.261 ( 1.023 -0.130 -3.588) 3.733 29.961 ( 1.646 -5.053 0.705) 5.361 30.375 ( -12.146 -9.825 5.998) 16.734 30.640 ( -1.142 4.514 -0.410) 4.674 31.373 ( -1.694 -8.416 -11.716) 14.525 32.474 ( 5.841 18.097 7.066) 20.286 33.019 ( 13.909 24.624 -13.435) 31.310 ======================= Grid point 396 (166/343) ======================= q-point: ( 0.54 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -4.479 11.135 6.100) 13.463 1.461 ( -5.865 14.803 5.555) 16.864 1.541 ( 3.570 0.479 -3.761) 5.208 1.661 ( -3.019 2.464 -1.225) 4.085 2.355 ( -0.416 -3.827 3.631) 5.291 2.654 ( 6.057 3.145 -3.771) 7.798 2.756 ( 4.472 6.628 0.725) 8.029 2.793 ( 2.549 -3.115 0.405) 4.045 3.074 ( 5.137 -2.575 -0.513) 5.769 3.160 ( 1.976 -2.495 2.062) 3.792 3.299 ( 4.742 -0.476 1.076) 4.886 3.722 ( 4.062 3.376 -0.255) 5.288 3.740 ( 2.731 4.096 -0.454) 4.944 3.985 ( 7.671 1.759 -1.888) 8.093 4.346 ( 0.586 48.274 1.577) 48.303 4.627 ( -5.284 26.348 2.122) 26.956 4.890 ( -11.459 4.381 2.230) 12.469 5.213 ( -8.851 1.934 -1.881) 9.253 7.368 ( -4.398 28.445 -0.582) 28.789 7.506 ( -6.460 27.594 1.277) 28.369 9.884 ( 9.430 -21.374 2.242) 23.469 10.030 ( 7.221 -19.891 -2.333) 21.289 10.712 ( 6.246 -0.605 -0.050) 6.275 10.729 ( 5.524 -0.362 -0.202) 5.540 12.378 ( -1.409 -39.830 0.540) 39.859 12.497 ( -0.404 -41.885 -1.174) 41.904 16.158 ( 3.699 12.413 0.296) 12.956 16.278 ( 3.133 9.377 -1.297) 9.972 17.239 ( -0.582 -4.868 0.690) 4.951 17.395 ( -2.730 -4.828 -0.671) 5.587 17.580 ( -5.406 -2.679 -0.264) 6.039 17.797 ( -7.429 -2.117 -2.235) 8.042 19.172 ( 3.663 6.762 3.287) 8.364 19.195 ( 3.235 9.522 1.584) 10.181 28.044 ( 0.231 1.964 1.446) 2.450 28.235 ( 0.237 1.103 -1.608) 1.965 29.912 ( -1.706 -6.576 -1.984) 7.078 30.580 ( -12.749 -6.486 6.422) 15.680 30.703 ( -2.351 4.725 0.090) 5.278 31.315 ( -4.554 -6.800 -10.362) 13.204 32.456 ( 13.535 14.818 5.086) 20.703 32.856 ( 15.244 19.057 -5.258) 24.964 ======================= Grid point 397 (167/343) ======================= q-point: ( 0.62 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -2.285 9.965 1.093) 10.281 1.472 ( 3.310 5.201 -4.157) 7.435 1.646 ( -2.706 7.039 2.259) 7.872 1.698 ( -0.578 0.592 -0.595) 1.019 2.338 ( 0.645 -4.530 -0.131) 4.577 2.569 ( 5.811 8.783 -0.168) 10.533 2.714 ( 2.010 -4.599 0.558) 5.049 2.789 ( 2.828 16.182 0.196) 16.428 2.901 ( 6.585 -5.290 -5.129) 9.882 3.167 ( -0.030 -1.337 2.052) 2.449 3.242 ( 1.440 0.584 1.065) 1.883 3.639 ( 6.198 -0.361 1.752) 6.451 3.713 ( 1.624 2.162 -3.289) 4.258 3.790 ( 7.145 -6.841 -4.046) 10.687 4.616 ( 4.294 35.176 2.054) 35.496 4.898 ( -9.129 0.311 3.036) 9.626 5.055 ( 2.023 28.599 -1.521) 28.710 5.447 ( -8.513 10.556 3.080) 13.907 7.725 ( -10.247 35.518 0.857) 36.977 7.894 ( -12.120 33.584 -0.092) 35.704 9.496 ( 15.243 -30.273 3.018) 34.028 9.675 ( 11.814 -28.698 -3.212) 31.200 10.582 ( 7.618 -0.391 -0.090) 7.629 10.617 ( 6.435 -0.142 -0.237) 6.441 12.170 ( -5.329 -34.463 -0.858) 34.884 12.260 ( -4.519 -35.374 0.080) 35.662 16.158 ( 4.240 7.739 0.076) 8.825 16.258 ( 4.621 5.830 -0.393) 7.450 17.248 ( -1.999 -1.178 1.373) 2.696 17.417 ( -1.610 0.836 -1.601) 2.420 17.671 ( -7.130 -4.827 2.216) 8.891 17.873 ( -4.923 -3.382 -2.876) 6.629 19.162 ( 3.705 5.553 1.523) 6.847 19.200 ( 4.144 8.487 1.029) 9.501 28.035 ( 1.717 0.470 -0.572) 1.869 28.256 ( -0.915 2.556 1.019) 2.900 29.919 ( -5.739 -5.987 -3.013) 8.823 30.776 ( -7.360 2.964 -0.094) 7.935 30.793 ( -5.729 -2.445 7.344) 9.630 31.330 ( -6.978 -4.847 -7.272) 11.183 32.262 ( 19.067 9.615 1.033) 21.379 32.705 ( 13.506 14.057 -0.884) 19.514 ======================= Grid point 398 (168/343) ======================= q-point: ( 0.69 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 1.044 7.440 -0.566) 7.534 1.478 ( -0.576 10.369 -3.777) 11.050 1.602 ( 5.439 -5.155 -0.286) 7.499 1.760 ( -1.931 4.057 0.202) 4.498 2.268 ( 0.725 -6.772 -3.849) 7.823 2.576 ( 5.287 15.902 2.332) 16.919 2.651 ( 2.875 -3.283 0.311) 4.375 2.745 ( 3.694 2.893 -3.527) 5.870 2.905 ( -0.862 16.453 -1.142) 16.515 3.142 ( 1.252 -1.830 0.628) 2.305 3.263 ( 0.768 4.523 2.190) 5.084 3.524 ( 6.180 -4.039 2.438) 7.775 3.627 ( 3.825 -4.959 -1.155) 6.369 3.702 ( -0.472 3.290 -5.613) 6.523 4.730 ( 5.457 17.900 4.484) 19.243 4.951 ( -4.319 -13.979 -1.937) 14.759 5.264 ( 2.331 36.368 0.329) 36.444 5.617 ( 0.319 10.602 3.018) 11.028 8.224 ( -14.332 38.387 1.512) 41.003 8.380 ( -13.807 33.875 -0.430) 36.583 8.956 ( 19.569 -36.726 2.558) 41.693 9.198 ( 12.840 -33.924 -3.279) 36.421 10.447 ( 7.040 -0.137 -0.146) 7.043 10.509 ( 5.535 0.432 -0.071) 5.552 12.077 ( -9.361 -27.282 -0.357) 28.846 12.154 ( -8.245 -26.535 -0.410) 27.790 16.126 ( 3.817 3.887 0.052) 5.448 16.197 ( 5.405 2.632 -0.115) 6.013 17.297 ( -1.899 2.141 1.912) 3.442 17.439 ( 0.092 3.787 -1.651) 4.132 17.773 ( -5.907 -4.989 3.776) 8.604 17.904 ( -4.414 -4.307 -4.088) 7.399 19.139 ( 3.352 4.304 0.553) 5.483 19.178 ( 4.849 6.515 0.555) 8.140 27.998 ( 1.680 -0.283 -1.033) 1.993 28.294 ( -0.064 2.565 1.609) 3.028 29.998 ( -8.803 -4.262 -2.512) 10.098 30.875 ( -2.483 6.318 -1.241) 6.901 30.941 ( -7.216 -4.970 7.437) 11.493 31.410 ( -7.388 -2.203 -2.540) 8.118 31.962 ( 19.242 4.845 -2.493) 19.999 32.557 ( 12.211 8.691 0.118) 14.989 ======================= Grid point 399 (169/343) ======================= q-point: ( 0.77 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 1.870 5.154 -0.268) 5.489 1.439 ( 7.115 -6.400 -0.330) 9.575 1.589 ( -3.611 12.322 -1.560) 12.935 1.814 ( -1.548 3.567 0.255) 3.897 2.206 ( -0.756 -3.498 -3.307) 4.873 2.576 ( 1.497 -2.391 -1.323) 3.116 2.593 ( 5.633 14.106 0.242) 15.191 2.772 ( -0.986 8.202 0.241) 8.265 3.031 ( 1.161 18.943 0.107) 18.979 3.118 ( 0.540 -1.427 0.791) 1.719 3.264 ( 5.439 5.945 0.863) 8.104 3.407 ( 2.389 -7.610 1.912) 8.202 3.571 ( 1.775 1.895 3.535) 4.386 3.729 ( -3.871 2.967 -8.118) 9.471 4.727 ( 4.906 -3.668 8.319) 10.331 4.875 ( 2.976 -2.961 -5.904) 7.245 5.457 ( 1.463 25.466 1.009) 25.528 5.618 ( 7.633 8.038 0.618) 11.102 8.259 ( 21.308 -37.537 -0.004) 43.163 8.492 ( 13.836 -27.153 0.465) 30.479 8.821 ( -14.796 34.302 2.100) 37.416 9.085 ( -15.566 22.530 -2.342) 27.484 10.336 ( 5.144 -0.229 -0.218) 5.153 10.432 ( 3.471 0.742 0.152) 3.553 12.107 ( -12.471 -19.206 0.494) 22.905 12.166 ( -11.350 -17.826 -1.055) 21.159 16.084 ( 3.035 1.196 0.211) 3.269 16.109 ( 5.470 0.314 -0.229) 5.483 17.352 ( -0.561 3.634 1.456) 3.954 17.452 ( 0.946 4.796 -0.779) 4.951 17.823 ( -2.148 -4.201 1.339) 4.905 17.956 ( -6.464 -4.068 -1.832) 7.855 19.109 ( 3.263 2.892 0.197) 4.364 19.127 ( 5.350 3.932 0.200) 6.643 27.968 ( 0.650 -0.690 -0.785) 1.231 28.303 ( 1.663 1.777 1.101) 2.670 30.134 ( -9.926 -2.104 -1.347) 10.236 30.941 ( -0.943 5.050 -0.805) 5.200 31.041 ( -3.338 -3.838 4.999) 7.132 31.505 ( -1.453 -0.097 4.327) 4.566 31.671 ( 10.098 2.173 -7.598) 12.823 32.401 ( 10.005 3.206 0.063) 10.507 ======================= Grid point 400 (170/343) ======================= q-point: (-0.15 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 4.363 -5.208 -0.018) 6.794 1.342 ( 1.401 2.257 -0.089) 2.658 1.720 ( -2.543 7.299 0.121) 7.730 1.878 ( -1.576 6.159 0.281) 6.364 2.213 ( 2.111 8.174 -1.015) 8.503 2.575 ( -3.695 -1.169 0.350) 3.891 2.595 ( 3.113 9.430 -1.042) 9.985 2.847 ( 0.023 9.114 -0.073) 9.115 3.105 ( 1.692 2.802 0.865) 3.386 3.125 ( 0.768 10.808 0.352) 10.841 3.152 ( 7.585 -1.082 -0.197) 7.665 3.374 ( -1.010 -2.493 0.429) 2.724 3.638 ( -1.884 7.479 8.325) 11.348 3.779 ( -3.826 3.970 -9.668) 11.130 4.571 ( 6.486 -20.323 4.478) 21.798 4.756 ( 8.518 2.517 -2.550) 9.241 5.469 ( 11.950 5.972 1.325) 13.425 5.601 ( 1.453 16.444 -1.553) 16.581 7.598 ( 20.872 -37.515 -0.349) 42.931 7.983 ( 15.780 -32.784 0.423) 36.387 9.321 ( -13.787 29.344 0.264) 32.422 9.580 ( -17.142 25.917 -0.213) 31.074 10.266 ( 2.090 -0.375 -0.167) 2.130 10.402 ( 0.628 0.899 0.197) 1.114 12.243 ( -14.509 -11.188 0.202) 18.323 12.296 ( -14.422 -8.539 -0.456) 16.766 16.006 ( 5.311 -1.200 -0.037) 5.445 16.043 ( 1.976 -0.645 0.018) 2.079 17.375 ( 0.932 2.640 0.243) 2.810 17.470 ( 0.875 5.335 0.127) 5.408 17.834 ( -1.959 -2.588 -0.166) 3.250 18.030 ( -4.890 -3.188 -0.076) 5.837 19.049 ( 5.427 1.279 0.004) 5.576 19.064 ( 3.615 1.344 0.040) 3.857 27.961 ( -0.934 -0.852 -0.361) 1.315 28.272 ( 3.271 0.853 0.426) 3.407 30.292 ( -8.811 -0.100 -0.320) 8.818 30.971 ( 0.728 3.775 -0.305) 3.857 31.009 ( 7.424 -2.572 1.907) 8.085 31.445 ( 0.877 -2.980 0.762) 3.198 31.671 ( -3.425 5.366 -2.039) 6.684 32.253 ( 7.009 -2.085 -0.010) 7.312 ======================= Grid point 401 (171/343) ======================= q-point: (-0.08 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -1.174 -3.153 0.000) 3.364 1.330 ( 1.221 0.485 -0.000) 1.313 1.776 ( 0.058 3.065 -0.000) 3.065 1.950 ( -0.448 7.394 -0.000) 7.408 2.167 ( 10.047 8.267 -0.000) 13.011 2.577 ( 5.765 9.531 -0.000) 11.139 2.709 ( -8.721 0.548 -0.000) 8.738 2.870 ( 5.082 5.005 -0.000) 7.133 3.041 ( 0.324 -1.176 0.000) 1.219 3.102 ( 0.228 0.340 -0.000) 0.409 3.202 ( -2.042 8.353 -0.000) 8.599 3.386 ( -1.549 -1.384 0.000) 2.077 3.795 ( -2.513 10.274 -0.000) 10.577 3.802 ( -0.268 1.984 -0.000) 2.002 4.297 ( 7.006 -21.132 0.000) 22.263 4.547 ( 13.624 -4.688 0.000) 14.408 5.304 ( 9.501 3.684 -0.000) 10.190 5.646 ( 4.015 9.680 -0.000) 10.480 7.029 ( 15.929 -27.837 0.000) 32.072 7.521 ( 13.424 -23.210 0.000) 26.812 9.709 ( -10.608 18.319 -0.000) 21.169 9.990 ( -11.110 15.128 -0.000) 18.769 10.272 ( -3.619 1.102 -0.000) 3.783 10.428 ( -2.607 1.273 -0.000) 2.901 12.458 ( -15.516 -3.669 0.000) 15.944 12.546 ( -16.978 -0.336 0.000) 16.981 15.904 ( 4.772 -2.131 0.000) 5.226 16.008 ( 1.120 -1.631 0.000) 1.978 17.370 ( 0.820 1.076 -0.000) 1.353 17.493 ( 0.840 4.836 -0.000) 4.908 17.856 ( -1.692 -0.662 0.000) 1.817 18.075 ( -2.359 -2.225 0.000) 3.243 18.958 ( 4.803 -0.759 0.000) 4.863 18.999 ( 4.167 -0.054 -0.000) 4.167 27.987 ( -2.683 -0.708 0.000) 2.775 28.208 ( 4.343 0.148 -0.000) 4.345 30.429 ( -5.739 1.780 -0.000) 6.008 30.810 ( 10.989 -3.287 0.000) 11.470 30.977 ( 1.205 2.901 -0.000) 3.141 31.490 ( -6.571 -2.948 0.000) 7.202 31.751 ( -0.504 8.067 -0.000) 8.083 32.122 ( 4.246 -7.045 0.000) 8.226 ======================= Grid point 408 (172/343) ======================= q-point: ( 0.46 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 7.977 17.876) 19.575 1.045 ( 0.000 16.292 12.032) 20.253 1.489 ( 0.000 6.676 -4.516) 8.060 1.658 ( -0.000 -2.951 -6.103) 6.779 2.424 ( -0.000 -4.449 4.024) 5.999 2.639 ( 0.000 24.613 -0.241) 24.614 2.866 ( 0.000 -0.580 0.636) 0.861 2.907 ( -0.000 -4.098 -0.393) 4.116 3.014 ( 0.000 30.862 6.758) 31.593 3.259 ( 0.000 57.329 -0.017) 57.329 3.314 ( 0.000 17.378 0.291) 17.380 3.348 ( -0.000 -6.894 -1.978) 7.172 3.732 ( 0.000 4.621 -1.359) 4.816 3.836 ( 0.000 11.168 -4.827) 12.167 4.147 ( -0.000 -26.277 17.198) 31.404 4.319 ( 0.000 3.664 13.418) 13.909 4.604 ( -0.000 -9.620 -3.744) 10.322 5.079 ( -0.000 -1.884 -11.881) 12.030 7.048 ( 0.000 15.110 1.436) 15.178 7.090 ( 0.000 18.729 -0.486) 18.735 10.246 ( -0.000 -10.602 1.590) 10.721 10.358 ( -0.000 -10.773 -2.011) 10.960 10.829 ( 0.000 -0.003 0.284) 0.284 10.838 ( -0.000 0.062 -0.073) 0.096 12.973 ( -0.000 -37.571 1.427) 37.599 13.113 ( -0.000 -37.963 -2.647) 38.055 16.006 ( 0.000 16.709 1.463) 16.773 16.159 ( 0.000 12.467 -3.309) 12.899 17.403 ( -0.000 -2.816 -1.037) 3.001 17.441 ( -0.000 -9.369 -0.923) 9.415 17.504 ( -0.000 -5.401 0.113) 5.402 17.553 ( -0.000 -1.017 -1.456) 1.776 19.119 ( 0.000 9.859 2.473) 10.164 19.163 ( 0.000 6.835 3.051) 7.485 28.000 ( 0.000 2.317 3.683) 4.351 28.249 ( -0.000 -0.049 -4.642) 4.642 30.027 ( 0.000 -1.384 3.517) 3.780 30.309 ( -0.000 -4.323 -3.548) 5.592 30.666 ( 0.000 -9.773 10.651) 14.456 31.365 ( -0.000 -11.849 -11.964) 16.839 32.420 ( 0.000 20.948 6.068) 21.809 32.860 ( 0.000 33.163 -15.791) 36.731 ======================= Grid point 409 (173/343) ======================= q-point: ( 0.54 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.243 8.562 14.441) 16.791 1.282 ( -5.877 14.980 8.985) 18.430 1.536 ( -1.025 6.377 -4.914) 8.116 1.596 ( 0.441 -0.643 -5.018) 5.078 2.412 ( 0.820 -3.163 5.890) 6.736 2.683 ( 3.327 5.946 -5.296) 8.630 2.818 ( 4.434 0.873 0.239) 4.526 2.859 ( 1.411 -4.285 0.219) 4.517 3.126 ( 0.573 0.550 3.814) 3.896 3.261 ( 3.423 -4.143 -1.580) 5.601 3.407 ( 12.430 25.492 1.094) 28.382 3.690 ( 0.651 23.259 1.556) 23.320 3.749 ( 0.208 8.436 1.132) 8.514 3.965 ( -1.671 38.452 1.148) 38.506 4.050 ( 3.333 10.011 7.059) 12.695 4.471 ( 0.956 -2.745 -3.881) 4.849 4.641 ( -16.960 -1.822 8.334) 18.984 5.062 ( -6.019 -2.510 -9.066) 11.168 7.159 ( 0.689 21.063 0.078) 21.074 7.262 ( -2.753 22.020 0.570) 22.199 10.136 ( 3.905 -14.351 1.868) 14.990 10.230 ( 3.358 -14.152 -2.126) 14.699 10.802 ( 3.238 -0.295 0.146) 3.254 10.809 ( 3.181 -0.059 -0.107) 3.183 12.681 ( 1.257 -41.628 1.795) 41.686 12.799 ( 1.046 -42.305 -2.417) 42.387 16.112 ( 1.990 15.476 1.055) 15.639 16.225 ( 0.970 12.419 -2.477) 12.701 17.297 ( 2.039 -7.538 0.174) 7.811 17.412 ( -1.347 -10.436 0.223) 10.525 17.498 ( -3.734 0.221 -1.798) 4.151 17.653 ( -8.387 -0.691 -1.371) 8.527 19.182 ( 2.037 9.613 1.988) 10.026 19.201 ( 2.873 7.418 2.797) 8.432 28.040 ( -0.205 2.294 3.265) 3.996 28.221 ( 0.397 0.459 -3.946) 3.993 29.972 ( 3.697 -5.061 1.245) 6.390 30.393 ( -11.118 -0.931 -1.711) 11.288 30.689 ( -2.696 -6.022 9.149) 11.280 31.244 ( -3.035 -10.363 -12.732) 16.695 32.547 ( 6.885 20.064 6.807) 22.278 32.894 ( 10.376 25.806 -10.304) 29.661 ======================= Grid point 410 (174/343) ======================= q-point: ( 0.62 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.118 8.424 8.092) 11.734 1.488 ( 4.231 4.023 -5.628) 8.110 1.515 ( -4.779 12.349 4.330) 13.931 1.648 ( -3.870 2.517 -1.431) 4.834 2.402 ( 1.887 -2.564 4.998) 5.925 2.609 ( 5.617 6.312 -4.708) 9.672 2.761 ( 3.475 4.611 0.221) 5.778 2.796 ( 2.195 -4.567 0.112) 5.069 3.068 ( 8.193 -3.271 -0.512) 8.836 3.185 ( 0.690 -0.784 2.640) 2.839 3.301 ( 6.446 1.704 -0.662) 6.700 3.711 ( 3.848 5.218 -0.916) 6.548 3.753 ( 3.436 0.857 1.851) 3.995 3.958 ( 8.140 -7.000 -2.907) 11.123 4.365 ( 0.614 50.654 1.848) 50.691 4.641 ( -4.237 34.627 0.538) 34.889 4.916 ( -9.611 -1.634 2.425) 10.046 5.194 ( -13.185 3.010 -1.712) 13.632 7.363 ( -4.682 28.345 -0.337) 28.731 7.517 ( -6.229 27.637 0.806) 28.342 9.910 ( 9.147 -20.976 2.527) 23.023 10.004 ( 7.458 -20.266 -2.612) 21.752 10.712 ( 6.326 -0.568 -0.048) 6.352 10.728 ( 5.599 -0.324 -0.107) 5.610 12.384 ( -0.618 -40.388 0.542) 40.396 12.485 ( -1.114 -41.348 -0.971) 41.375 16.161 ( 3.687 11.708 0.379) 12.281 16.266 ( 2.735 9.998 -1.018) 10.415 17.246 ( -0.871 -4.739 0.531) 4.848 17.388 ( -2.101 -4.786 -0.535) 5.255 17.577 ( -6.858 -3.064 -0.168) 7.513 17.778 ( -6.978 -1.876 -1.407) 7.361 19.199 ( 3.930 6.295 1.922) 7.666 19.210 ( 3.601 9.561 1.179) 10.284 28.057 ( 1.275 1.185 1.107) 2.063 28.219 ( -1.124 2.035 -1.249) 2.640 29.896 ( -0.523 -6.789 -1.092) 6.896 30.591 ( -9.483 4.711 -1.973) 10.771 30.769 ( -5.541 -6.435 10.116) 13.208 31.201 ( -6.842 -8.370 -10.947) 15.385 32.503 ( 15.683 15.277 3.769) 22.216 32.808 ( 12.625 20.326 -3.677) 24.209 ======================= Grid point 411 (175/343) ======================= q-point: ( 0.69 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.205 8.307 2.419) 8.655 1.425 ( 3.295 6.283 -4.408) 8.353 1.667 ( -2.118 6.023 1.699) 6.607 1.692 ( -0.589 0.655 -0.577) 1.053 2.338 ( 3.040 -6.137 0.098) 6.850 2.571 ( 5.307 14.423 0.372) 15.373 2.721 ( 1.325 -5.586 0.692) 5.783 2.788 ( 0.991 12.855 -0.422) 12.900 2.857 ( 9.591 -4.062 -3.044) 10.851 3.186 ( 1.806 -1.345 1.520) 2.717 3.249 ( -0.265 1.565 0.211) 1.601 3.650 ( 5.346 2.000 0.138) 5.710 3.695 ( 3.282 -0.716 0.138) 3.363 3.750 ( 5.941 -7.824 -3.380) 10.389 4.633 ( 4.154 35.734 1.151) 35.993 4.922 ( -8.890 -2.088 1.548) 9.262 5.043 ( 2.481 30.928 -0.789) 31.037 5.472 ( -9.586 10.336 1.632) 14.191 7.732 ( -11.100 35.519 0.493) 37.216 7.893 ( -11.364 33.692 -0.061) 35.556 9.528 ( 15.440 -29.763 2.712) 33.639 9.642 ( 11.720 -29.345 -2.828) 31.726 10.581 ( 7.605 -0.437 -0.061) 7.618 10.615 ( 6.498 -0.002 -0.115) 6.499 12.163 ( -5.127 -34.714 -0.464) 35.094 12.260 ( -4.643 -35.211 0.028) 35.516 16.158 ( 4.146 7.310 0.051) 8.404 16.255 ( 4.504 6.154 -0.213) 7.629 17.260 ( -2.210 -0.537 0.925) 2.455 17.402 ( -1.474 0.154 -1.058) 1.821 17.691 ( -8.430 -4.563 1.526) 9.707 17.848 ( -4.012 -3.542 -1.875) 5.671 19.174 ( 4.035 5.181 0.814) 6.617 19.209 ( 4.324 8.525 0.564) 9.576 28.030 ( 2.163 0.190 -0.337) 2.197 28.264 ( -1.541 2.980 0.580) 3.404 29.895 ( -5.422 -6.185 -1.544) 8.369 30.753 ( -5.113 7.239 -1.710) 9.026 30.890 ( -7.062 -6.079 8.062) 12.321 31.254 ( -9.930 -5.935 -6.550) 13.294 32.271 ( 20.633 9.424 0.579) 22.691 32.699 ( 12.944 14.977 -0.402) 19.800 ======================= Grid point 412 (176/343) ======================= q-point: ( 0.77 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 1.416 7.354 -0.113) 7.489 1.445 ( -1.105 10.493 -1.910) 10.723 1.603 ( 5.593 -5.656 0.129) 7.955 1.761 ( -1.885 4.075 0.075) 4.491 2.241 ( 1.272 -7.806 -1.310) 8.016 2.595 ( 6.708 17.936 1.035) 19.177 2.657 ( 5.401 -3.306 0.655) 6.366 2.715 ( -0.556 0.509 -1.931) 2.073 2.898 ( -0.501 18.164 -0.353) 18.174 3.147 ( 1.300 -1.575 0.258) 2.058 3.279 ( 0.953 4.817 0.805) 4.976 3.545 ( 5.555 -5.875 1.264) 8.184 3.625 ( 2.944 -1.384 0.918) 3.380 3.651 ( 0.764 1.188 -3.802) 4.056 4.764 ( 5.047 23.167 1.764) 23.776 4.935 ( -3.645 -18.413 -0.898) 18.792 5.266 ( 1.891 35.857 0.139) 35.907 5.639 ( 0.336 10.299 1.042) 10.357 8.235 ( -14.313 37.735 0.566) 40.362 8.377 ( -14.005 35.003 -0.170) 37.701 8.977 ( 20.133 -36.136 1.190) 41.383 9.171 ( 12.507 -34.971 -1.456) 37.169 10.446 ( 7.053 -0.235 -0.055) 7.058 10.508 ( 5.505 0.579 -0.021) 5.536 12.075 ( -9.665 -27.029 -0.131) 28.705 12.151 ( -7.948 -26.895 -0.145) 28.045 16.126 ( 3.692 3.670 0.017) 5.206 16.196 ( 5.456 2.754 -0.038) 6.111 17.313 ( -1.873 2.781 0.879) 3.467 17.425 ( -0.174 3.283 -0.802) 3.384 17.814 ( -6.487 -4.752 3.866) 8.922 17.861 ( -3.755 -4.609 -3.961) 7.143 19.143 ( 3.468 4.157 0.198) 5.417 19.182 ( 4.960 6.534 0.194) 8.205 27.991 ( 1.767 -0.342 -0.351) 1.834 28.305 ( -0.137 2.692 0.557) 2.752 29.980 ( -8.918 -4.355 -0.852) 9.961 30.865 ( -2.826 6.292 -0.517) 6.917 31.000 ( -6.255 -4.835 3.192) 8.526 31.386 ( -9.944 -2.095 -1.454) 10.266 31.944 ( 20.861 4.332 -0.856) 21.323 32.557 ( 12.326 9.150 0.047) 15.351 ======================= Grid point 413 (177/343) ======================= q-point: (-0.15 -0.69 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 1.808 5.290 -0.000) 5.590 1.437 ( 7.053 -6.425 0.000) 9.541 1.581 ( -4.134 12.517 -0.000) 13.182 1.816 ( -1.616 3.574 -0.000) 3.922 2.189 ( -1.098 -4.130 0.000) 4.274 2.569 ( 1.801 -2.063 0.000) 2.738 2.595 ( 5.756 13.727 -0.000) 14.885 2.773 ( -1.269 7.955 -0.000) 8.055 3.032 ( 1.139 19.561 -0.000) 19.594 3.123 ( 0.484 -1.271 0.000) 1.360 3.268 ( 5.763 6.107 -0.000) 8.397 3.417 ( 2.218 -8.358 0.000) 8.647 3.604 ( 1.644 5.875 -0.000) 6.100 3.671 ( -3.811 -0.367 0.000) 3.829 4.806 ( 1.828 -20.418 0.000) 20.500 4.809 ( 6.002 14.492 -0.000) 15.686 5.462 ( 0.642 25.269 -0.000) 25.277 5.621 ( 8.634 7.621 -0.000) 11.517 8.259 ( 21.407 -37.432 0.000) 43.121 8.495 ( 13.838 -27.153 0.000) 30.476 8.833 ( -14.231 33.641 -0.000) 36.528 9.072 ( -16.217 23.130 -0.000) 28.249 10.335 ( 5.160 -0.277 0.000) 5.168 10.433 ( 3.430 0.808 -0.000) 3.524 12.110 ( -12.662 -19.244 0.000) 23.036 12.160 ( -11.198 -17.873 0.000) 21.091 16.085 ( 2.850 1.099 -0.000) 3.054 16.107 ( 5.642 0.377 -0.000) 5.655 17.360 ( -0.285 3.755 -0.000) 3.766 17.447 ( 0.643 4.910 -0.000) 4.952 17.831 ( -1.254 -4.502 0.000) 4.673 17.945 ( -7.353 -3.959 0.000) 8.351 19.110 ( 3.284 2.861 -0.000) 4.356 19.128 ( 5.411 3.938 -0.000) 6.693 27.964 ( 0.639 -0.722 0.000) 0.964 28.309 ( 1.729 1.821 -0.000) 2.511 30.127 ( -10.093 -2.121 0.000) 10.314 30.937 ( -0.947 4.991 -0.000) 5.080 31.069 ( -3.290 -3.932 0.000) 5.127 31.540 ( -7.346 1.970 -0.000) 7.605 31.618 ( 15.910 0.151 -0.000) 15.911 32.401 ( 10.098 3.365 -0.000) 10.644 ======================= Grid point 419 (178/343) ======================= q-point: ( 0.23 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 8.722 -0.000 -2.687) 9.127 1.333 ( -2.465 -0.000 0.089) 2.466 1.731 ( 14.571 0.000 2.938) 14.864 1.732 ( 3.755 0.000 0.000) 3.755 1.854 ( 4.889 -0.000 -2.684) 5.577 2.279 ( 9.747 -0.000 -6.215) 11.560 2.720 ( 0.253 -0.000 -0.994) 1.026 2.805 ( -0.090 -0.000 -2.318) 2.320 3.142 ( 0.026 0.000 1.997) 1.998 3.265 ( -7.939 -0.000 -1.028) 8.006 3.329 ( 4.799 -0.000 -2.547) 5.433 3.456 ( 1.933 -0.000 -2.452) 3.123 3.510 ( 1.361 -0.000 -0.074) 1.363 3.558 ( 3.005 0.000 1.443) 3.334 3.929 ( 11.090 0.000 0.410) 11.098 4.264 ( -5.280 -0.000 -6.553) 8.416 5.341 ( 0.201 0.000 7.009) 7.012 5.521 ( 9.056 0.000 3.157) 9.591 6.585 ( 2.654 0.000 3.770) 4.611 6.938 ( 7.157 -0.000 -3.349) 7.902 10.134 ( -6.197 0.000 1.320) 6.336 10.240 ( -4.667 -0.000 -0.663) 4.714 10.582 ( -5.685 -0.000 -1.154) 5.801 10.583 ( -7.788 -0.000 -0.926) 7.843 13.016 ( -13.653 0.000 1.287) 13.713 13.155 ( -15.245 -0.000 -1.540) 15.323 15.767 ( 2.775 0.000 1.782) 3.298 15.947 ( 0.129 -0.000 -1.812) 1.817 17.438 ( -1.848 0.000 2.179) 2.857 17.488 ( 1.727 0.000 0.459) 1.787 17.881 ( 1.333 0.000 0.476) 1.415 18.018 ( 1.706 -0.000 -2.677) 3.175 18.855 ( 0.998 0.000 1.488) 1.792 18.875 ( 2.779 0.000 2.071) 3.466 28.052 ( 3.422 0.000 0.576) 3.470 28.114 ( -3.677 -0.000 -0.717) 3.746 30.406 ( 6.553 -0.000 -1.409) 6.703 30.479 ( 1.442 -0.000 -3.917) 4.174 31.154 ( -2.806 0.000 8.370) 8.828 31.656 ( -4.751 -0.000 -3.896) 6.144 31.846 ( 3.904 -0.000 -0.550) 3.942 31.860 ( 0.068 -0.000 -0.381) 0.387 ======================= Grid point 423 (179/343) ======================= q-point: ( 0.54 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.000 6.578 17.677) 18.861 1.165 ( -0.000 14.980 10.715) 18.417 1.435 ( -0.000 7.391 -5.737) 9.357 1.574 ( 0.000 -1.893 -9.890) 10.070 2.472 ( 0.000 -0.431 5.044) 5.062 2.620 ( -0.000 14.766 -3.003) 15.068 2.874 ( 0.000 -1.721 0.971) 1.976 2.902 ( 0.000 -3.913 -0.603) 3.959 3.091 ( -0.000 31.988 7.728) 32.908 3.256 ( 0.000 55.205 -0.761) 55.210 3.313 ( 0.000 21.601 -0.335) 21.604 3.324 ( 0.000 -4.215 -2.420) 4.860 3.722 ( 0.000 4.447 -0.320) 4.458 3.787 ( 0.000 9.864 -4.306) 10.763 4.301 ( 0.000 -21.600 12.365) 24.889 4.468 ( -0.000 2.816 14.684) 14.952 4.559 ( -0.000 -12.066 -4.842) 13.001 4.943 ( -0.000 -1.125 -13.811) 13.856 7.061 ( 0.000 15.833 1.014) 15.865 7.084 ( 0.000 18.119 -0.557) 18.127 10.265 ( -0.000 -10.575 1.932) 10.750 10.335 ( -0.000 -10.644 -2.283) 10.886 10.831 ( 0.000 -0.025 0.261) 0.262 10.837 ( 0.000 0.008 -0.100) 0.100 12.993 ( -0.000 -37.605 2.338) 37.678 13.084 ( -0.000 -37.897 -2.965) 38.012 16.026 ( 0.000 15.638 2.344) 15.813 16.124 ( 0.000 13.127 -3.465) 13.576 17.399 ( 0.000 -3.433 0.229) 3.440 17.430 ( 0.000 -7.994 -1.131) 8.073 17.508 ( 0.000 -5.664 0.533) 5.689 17.538 ( 0.000 -2.363 -1.363) 2.728 19.145 ( 0.000 9.744 2.323) 10.018 19.182 ( 0.000 8.100 0.706) 8.131 28.043 ( -0.000 1.881 4.360) 4.748 28.198 ( -0.000 0.396 -5.035) 5.050 30.070 ( 0.000 -0.882 4.511) 4.597 30.253 ( 0.000 -0.491 -6.378) 6.397 30.799 ( 0.000 -15.533 13.763) 20.753 31.234 ( -0.000 -14.228 -12.962) 19.247 32.484 ( 0.000 23.925 6.164) 24.706 32.723 ( 0.000 31.630 -10.711) 33.394 ======================= Grid point 424 (180/343) ======================= q-point: ( 0.62 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 2.034 5.289 13.486) 14.629 1.370 ( -4.020 13.972 7.436) 16.330 1.471 ( 1.051 7.331 -7.471) 10.520 1.537 ( -3.373 1.815 -5.856) 6.997 2.479 ( 1.960 0.052 6.708) 6.989 2.621 ( 3.217 4.227 -6.328) 8.262 2.819 ( 4.116 -0.301 0.088) 4.128 2.861 ( 1.155 -4.323 0.123) 4.476 3.166 ( 1.098 -2.076 3.727) 4.405 3.239 ( 2.017 -4.327 -2.539) 5.408 3.411 ( 13.589 28.742 0.035) 31.793 3.702 ( 1.294 18.727 0.645) 18.782 3.767 ( 0.716 11.403 1.962) 11.593 3.943 ( -4.868 45.874 -2.789) 46.216 4.152 ( 7.601 -3.770 9.633) 12.837 4.413 ( 1.833 6.025 -6.284) 8.896 4.741 ( -14.920 -4.064 10.021) 18.426 4.962 ( -9.601 -2.431 -9.731) 13.884 7.159 ( 1.238 21.208 0.008) 21.244 7.266 ( -3.295 21.820 0.303) 22.069 10.157 ( 3.814 -14.213 2.115) 14.867 10.207 ( 3.394 -14.198 -2.282) 14.775 10.803 ( 3.384 -0.283 0.097) 3.397 10.808 ( 3.131 -0.101 -0.065) 3.134 12.701 ( 1.730 -41.795 1.917) 41.875 12.774 ( 0.485 -42.057 -2.219) 42.118 16.125 ( 2.314 14.512 1.229) 14.746 16.201 ( 0.392 13.198 -1.956) 13.348 17.299 ( 1.711 -7.930 0.150) 8.114 17.414 ( -0.913 -10.081 0.120) 10.123 17.483 ( -4.176 -0.131 -0.903) 4.274 17.642 ( -8.181 -0.562 -0.709) 8.231 19.200 ( 2.456 9.648 1.356) 10.048 19.220 ( 2.485 7.633 0.984) 8.087 28.075 ( 0.578 1.578 3.265) 3.673 28.180 ( -0.523 1.225 -3.655) 3.891 29.985 ( 5.411 -5.167 0.994) 7.547 30.366 ( -10.841 3.098 -2.501) 11.549 30.807 ( -3.214 -10.647 12.205) 16.512 31.108 ( -4.411 -11.995 -12.839) 18.116 32.615 ( 8.426 21.610 5.988) 23.955 32.800 ( 7.642 25.876 -7.436) 27.987 ======================= Grid point 425 (181/343) ======================= q-point: ( 0.69 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 1.038 5.217 5.758) 7.839 1.427 ( 3.698 5.731 -4.794) 8.337 1.552 ( -2.591 13.243 2.171) 13.668 1.633 ( -5.289 2.166 -1.079) 5.817 2.452 ( 4.108 -3.673 3.789) 6.688 2.561 ( 4.288 9.900 -3.627) 11.382 2.762 ( 2.900 3.447 0.040) 4.505 2.796 ( 2.002 -5.558 0.015) 5.908 3.064 ( 9.693 -3.384 -0.195) 10.269 3.210 ( -0.980 -0.379 1.563) 1.884 3.290 ( 8.227 3.292 -0.981) 8.915 3.705 ( 4.220 4.628 -0.207) 6.267 3.770 ( 3.843 2.070 1.123) 4.508 3.932 ( 8.007 -12.304 -1.563) 14.762 4.380 ( 0.773 50.724 0.784) 50.736 4.643 ( -3.851 39.454 0.006) 39.642 4.936 ( -7.623 -5.221 1.084) 9.303 5.180 ( -16.354 4.049 -0.744) 16.864 7.361 ( -4.822 28.291 -0.110) 28.699 7.523 ( -6.129 27.666 0.275) 28.338 9.935 ( 9.094 -20.421 2.091) 22.451 9.977 ( 7.481 -20.808 -2.125) 22.214 10.711 ( 6.374 -0.549 -0.020) 6.397 10.727 ( 5.637 -0.309 -0.032) 5.646 12.388 ( -0.001 -40.807 0.243) 40.808 12.478 ( -1.677 -40.944 -0.395) 40.981 16.164 ( 3.757 11.208 0.181) 11.822 16.258 ( 2.450 10.449 -0.399) 10.740 17.250 ( -1.048 -4.642 0.202) 4.763 17.384 ( -1.738 -4.804 -0.206) 5.113 17.576 ( -7.658 -3.297 -0.057) 8.338 17.768 ( -6.682 -1.745 -0.478) 6.923 19.213 ( 4.069 6.179 0.691) 7.431 19.218 ( 3.748 9.505 0.365) 10.224 28.066 ( 2.102 0.582 0.428) 2.222 28.210 ( -2.129 2.726 -0.485) 3.492 29.888 ( 0.151 -6.911 -0.344) 6.921 30.573 ( -8.748 6.554 -1.048) 10.981 30.872 ( -4.822 -7.405 7.642) 11.683 31.096 ( -9.482 -10.102 -7.612) 15.809 32.531 ( 17.349 15.439 1.461) 23.270 32.781 ( 10.763 21.055 -1.388) 23.687 ======================= Grid point 426 (182/343) ======================= q-point: (-0.23 -0.62 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 1.002 6.937 -0.000) 7.009 1.396 ( 2.973 7.302 -0.000) 7.884 1.679 ( -2.495 8.441 -0.000) 8.802 1.686 ( -0.041 -2.061 0.000) 2.061 2.339 ( 4.053 -6.755 0.000) 7.878 2.574 ( 5.111 17.161 -0.000) 17.906 2.726 ( 0.852 -5.716 0.000) 5.779 2.784 ( -0.624 8.244 -0.000) 8.268 2.841 ( 11.671 -1.080 0.000) 11.721 3.195 ( 2.976 -1.536 0.000) 3.349 3.249 ( -1.449 2.126 -0.000) 2.573 3.649 ( 4.679 2.980 -0.000) 5.548 3.704 ( 5.157 1.917 -0.000) 5.502 3.726 ( 4.656 -11.954 0.000) 12.829 4.639 ( 4.112 35.872 -0.000) 36.107 4.930 ( -8.817 -3.117 0.000) 9.352 5.039 ( 2.633 31.964 -0.000) 32.073 5.481 ( -9.951 10.270 -0.000) 14.300 7.735 ( -11.426 35.515 -0.000) 37.308 7.893 ( -11.073 33.735 -0.000) 35.505 9.545 ( 15.862 -29.345 0.000) 33.357 9.624 ( 11.336 -29.813 0.000) 31.896 10.581 ( 7.601 -0.452 0.000) 7.615 10.615 ( 6.521 0.046 -0.000) 6.521 12.160 ( -5.058 -34.799 0.000) 35.165 12.260 ( -4.683 -35.158 0.000) 35.468 16.159 ( 4.117 7.147 -0.000) 8.248 16.254 ( 4.461 6.278 -0.000) 7.702 17.266 ( -2.310 -0.236 0.000) 2.322 17.396 ( -1.398 -0.160 0.000) 1.407 17.700 ( -9.129 -4.444 0.000) 10.153 17.837 ( -3.450 -3.628 0.000) 5.007 19.178 ( 4.147 5.063 -0.000) 6.545 19.212 ( 4.386 8.531 -0.000) 9.592 28.028 ( 2.306 0.100 -0.000) 2.309 28.268 ( -1.750 3.123 -0.000) 3.580 29.886 ( -5.307 -6.251 0.000) 8.200 30.744 ( -5.297 7.240 -0.000) 8.970 30.939 ( -5.691 -5.528 0.000) 7.934 31.213 ( -11.821 -6.663 0.000) 13.569 32.274 ( 21.171 9.376 -0.000) 23.154 32.696 ( 12.753 15.291 -0.000) 19.911 ======================= Grid point 433 (183/343) ======================= q-point: ( 0.23 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 3.487 0.449 -2.790) 4.488 1.252 ( -3.018 -1.494 -1.734) 3.788 1.751 ( 2.238 3.898 -0.220) 4.500 1.897 ( 2.926 3.216 -3.636) 5.668 2.042 ( 14.257 1.022 3.623) 14.746 2.419 ( 9.727 3.573 -4.600) 11.338 2.736 ( 2.426 3.224 -2.256) 4.623 2.790 ( 0.061 -2.902 -1.564) 3.298 3.106 ( -3.748 2.745 0.148) 4.648 3.139 ( -4.709 -0.464 0.567) 4.766 3.362 ( -1.287 5.802 0.090) 5.944 3.395 ( -2.799 -0.853 0.533) 2.974 3.456 ( 0.665 9.210 -6.627) 11.366 3.750 ( 6.121 -19.120 -5.101) 20.714 4.120 ( 9.604 6.711 0.777) 11.742 4.286 ( 8.072 -10.700 -0.238) 13.405 5.391 ( 1.756 2.249 8.121) 8.607 5.664 ( 6.415 2.920 1.589) 7.225 6.752 ( 8.995 -12.329 4.578) 15.933 7.106 ( 10.012 -11.349 -4.314) 15.737 9.998 ( -7.672 7.693 1.884) 11.026 10.146 ( -4.837 3.625 -1.266) 6.176 10.418 ( -8.499 2.712 -0.211) 8.924 10.471 ( -5.162 1.149 -1.542) 5.508 12.753 ( -15.358 1.549 1.271) 15.488 12.846 ( -16.776 2.894 -1.154) 17.063 15.840 ( 3.495 -1.951 1.523) 4.283 15.956 ( 0.951 -1.784 -1.392) 2.455 17.418 ( -1.259 1.028 1.969) 2.553 17.494 ( 0.096 2.550 -0.456) 2.592 17.896 ( 0.145 0.515 0.983) 1.119 18.029 ( 0.551 -1.481 -2.440) 2.907 18.902 ( 2.835 -1.143 1.200) 3.284 18.940 ( 3.190 -0.815 0.654) 3.357 28.053 ( -2.060 1.144 0.380) 2.387 28.119 ( 2.730 -1.785 -0.307) 3.276 30.442 ( 2.483 6.462 -2.263) 7.283 30.558 ( 4.748 -7.185 -2.261) 8.904 31.139 ( -2.537 1.561 7.035) 7.640 31.531 ( -6.616 -1.058 -3.763) 7.684 31.823 ( 2.852 9.760 0.593) 10.185 31.986 ( 3.614 -10.754 -0.459) 11.354 ======================= Grid point 434 (184/343) ======================= q-point: ( 0.31 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 7.082 -0.000 -0.422) 7.095 1.322 ( -4.874 -0.000 -2.226) 5.359 1.733 ( 2.761 0.000 0.233) 2.771 1.764 ( 15.957 0.000 2.703) 16.185 1.834 ( 4.661 -0.000 -0.368) 4.676 2.205 ( 10.712 -0.000 -7.713) 13.200 2.709 ( 0.386 -0.000 -0.918) 0.996 2.777 ( -0.586 -0.000 -2.837) 2.897 3.165 ( -1.313 0.000 2.231) 2.588 3.254 ( -7.097 -0.000 -1.161) 7.191 3.309 ( 4.749 -0.000 -1.206) 4.900 3.416 ( 4.267 -0.000 -4.260) 6.030 3.521 ( -2.691 0.000 1.562) 3.111 3.568 ( 1.126 0.000 0.366) 1.184 3.944 ( 9.655 0.000 2.268) 9.918 4.195 ( -1.610 -0.000 -6.354) 6.555 5.413 ( 1.653 0.000 6.543) 6.749 5.549 ( 8.466 0.000 1.962) 8.690 6.630 ( 3.175 0.000 4.641) 5.623 6.898 ( 6.608 -0.000 -4.236) 7.849 10.149 ( -5.889 0.000 1.609) 6.105 10.231 ( -4.700 -0.000 -0.993) 4.804 10.570 ( -5.959 -0.000 -0.963) 6.036 10.573 ( -7.672 -0.000 -0.897) 7.724 13.031 ( -13.776 0.000 1.635) 13.873 13.137 ( -14.992 -0.000 -1.876) 15.108 15.788 ( 2.525 0.000 2.257) 3.387 15.926 ( 0.526 -0.000 -2.272) 2.332 17.460 ( -1.556 0.000 1.964) 2.506 17.493 ( 1.167 0.000 0.404) 1.235 17.888 ( 1.480 0.000 0.808) 1.686 17.989 ( 1.775 -0.000 -2.790) 3.307 18.871 ( 0.853 0.000 1.613) 1.824 18.895 ( 1.894 0.000 1.503) 2.418 28.059 ( 2.649 0.000 0.727) 2.747 28.105 ( -2.739 -0.000 -0.852) 2.869 30.392 ( 6.114 -0.000 -1.145) 6.220 30.441 ( 2.320 -0.000 -3.304) 4.037 31.245 ( -3.651 0.000 8.778) 9.507 31.612 ( -4.706 -0.000 -4.456) 6.481 31.840 ( 3.878 -0.000 -0.548) 3.916 31.852 ( 0.827 -0.000 -0.894) 1.218 ======================= Grid point 438 (185/343) ======================= q-point: ( 0.62 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.000 14.628 8.499) 16.918 1.276 ( -0.000 9.334 13.348) 16.288 1.373 ( 0.000 4.256 -4.546) 6.227 1.452 ( -0.000 -1.340 -12.862) 12.932 2.527 ( 0.000 3.611 5.240) 6.364 2.580 ( 0.000 8.302 -4.588) 9.486 2.885 ( 0.000 -2.664 0.966) 2.833 2.894 ( 0.000 -3.429 -0.804) 3.522 3.170 ( 0.000 32.160 6.996) 32.912 3.232 ( 0.000 40.923 -4.274) 41.146 3.307 ( -0.000 11.826 -0.556) 11.839 3.308 ( -0.000 22.184 -0.536) 22.191 3.727 ( -0.000 5.470 1.210) 5.602 3.748 ( 0.000 7.623 -2.931) 8.167 4.413 ( 0.000 -17.347 9.073) 19.576 4.495 ( -0.000 -13.527 -6.660) 15.078 4.630 ( -0.000 0.413 15.321) 15.326 4.791 ( -0.000 -0.259 -15.024) 15.026 7.070 ( -0.000 16.637 0.768) 16.655 7.078 ( -0.000 17.414 -0.636) 17.426 10.287 ( 0.000 -10.562 2.194) 10.787 10.311 ( 0.000 -10.578 -2.329) 10.832 10.834 ( 0.000 -0.034 0.211) 0.214 10.836 ( 0.000 -0.024 -0.151) 0.153 13.020 ( -0.000 -37.710 2.863) 37.818 13.052 ( -0.000 -37.812 -3.054) 37.935 16.054 ( 0.000 14.700 2.968) 14.997 16.087 ( 0.000 13.871 -3.344) 14.268 17.406 ( 0.000 -4.761 0.929) 4.851 17.417 ( -0.000 -6.370 -1.181) 6.479 17.515 ( -0.000 -4.998 0.846) 5.069 17.525 ( 0.000 -3.796 -1.134) 3.962 19.167 ( 0.000 9.482 1.793) 9.650 19.181 ( 0.000 8.971 -0.827) 9.009 28.092 ( -0.000 1.395 4.847) 5.044 28.144 ( 0.000 0.888 -5.090) 5.167 30.122 ( -0.000 -0.350 5.495) 5.506 30.185 ( -0.000 0.009 -6.300) 6.300 30.947 ( 0.000 -16.692 14.089) 21.843 31.093 ( 0.000 -15.966 -13.682) 21.026 32.551 ( 0.000 26.722 6.625) 27.531 32.627 ( 0.000 29.321 -7.928) 30.374 ======================= Grid point 439 (186/343) ======================= q-point: (-0.31 -0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 3.168 0.591 -0.000) 3.222 1.404 ( 1.365 10.074 -0.000) 10.166 1.423 ( -0.831 16.343 -0.000) 16.364 1.492 ( -7.407 1.157 -0.000) 7.496 2.545 ( 3.204 7.531 -0.000) 8.184 2.557 ( 2.280 -2.811 0.000) 3.619 2.820 ( 4.046 -0.670 0.000) 4.102 2.862 ( 1.074 -4.361 0.000) 4.491 3.198 ( 2.847 -3.646 0.000) 4.626 3.214 ( -0.067 -3.679 0.000) 3.679 3.411 ( 13.992 29.363 -0.000) 32.527 3.705 ( 1.217 16.768 -0.000) 16.812 3.780 ( 1.693 11.760 -0.000) 11.881 3.926 ( -6.049 48.137 -0.000) 48.516 4.216 ( 10.263 -13.203 0.000) 16.722 4.368 ( 0.196 15.121 -0.000) 15.122 4.830 ( -9.780 -6.264 0.000) 11.614 4.875 ( -14.988 -0.519 0.000) 14.997 7.159 ( 1.407 21.257 -0.000) 21.303 7.268 ( -3.469 21.762 -0.000) 22.036 10.175 ( 4.013 -13.939 0.000) 14.505 10.187 ( 3.174 -14.439 0.000) 14.784 10.804 ( 3.471 -0.277 0.000) 3.482 10.807 ( 3.078 -0.119 -0.000) 3.080 12.714 ( 2.408 -41.971 0.000) 42.040 12.759 ( -0.215 -41.859 0.000) 41.860 16.133 ( 2.731 13.929 -0.000) 14.195 16.190 ( -0.108 13.716 -0.000) 13.717 17.300 ( 1.605 -8.092 0.000) 8.250 17.414 ( -0.728 -9.916 0.000) 9.942 17.479 ( -4.338 -0.287 0.000) 4.347 17.638 ( -8.130 -0.519 0.000) 8.146 19.208 ( 2.766 9.712 -0.000) 10.098 19.225 ( 2.170 7.682 -0.000) 7.982 28.098 ( 1.749 0.791 -0.000) 1.920 28.154 ( -1.741 2.029 -0.000) 2.673 29.990 ( 6.147 -5.239 0.000) 8.077 30.352 ( -11.052 3.925 -0.000) 11.729 30.907 ( -1.143 -10.619 0.000) 10.680 31.005 ( -6.976 -13.582 0.000) 15.269 32.657 ( 10.589 22.052 -0.000) 24.462 32.751 ( 5.132 25.931 -0.000) 26.434 ======================= Grid point 447 (187/343) ======================= q-point: ( 0.23 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.897 -1.289 -0.664) 1.705 1.292 ( 3.029 -1.715 -1.693) 3.871 1.746 ( 0.777 4.824 -0.414) 4.904 1.878 ( 0.714 5.455 -2.691) 6.125 2.247 ( 11.441 9.886 3.327) 15.482 2.507 ( 6.839 7.690 -2.580) 10.610 2.717 ( -0.475 -0.048 0.445) 0.652 2.865 ( 6.393 0.703 -1.557) 6.617 3.017 ( -3.562 2.711 0.531) 4.508 3.085 ( -1.063 2.810 -1.227) 3.245 3.241 ( -2.818 10.701 1.283) 11.140 3.352 ( -2.740 1.921 -2.487) 4.169 3.409 ( 0.772 -1.404 -3.259) 3.632 3.947 ( 7.388 -13.158 -9.998) 18.102 4.197 ( 2.821 4.519 4.918) 7.250 4.597 ( 12.938 -15.014 0.770) 19.835 5.446 ( 3.518 7.507 6.899) 10.785 5.711 ( 2.758 8.249 -0.283) 8.702 7.124 ( 14.797 -25.618 3.911) 29.842 7.425 ( 14.033 -25.371 -4.010) 29.269 9.737 ( -12.116 20.755 1.005) 24.053 9.953 ( -10.175 12.949 -1.325) 16.522 10.298 ( -2.940 0.891 1.171) 3.287 10.385 ( -2.271 0.736 -1.639) 2.896 12.478 ( -16.211 -1.528 0.640) 16.296 12.546 ( -15.131 -1.738 -0.030) 15.231 15.928 ( 3.953 -2.080 1.045) 4.587 15.988 ( 1.823 -1.799 -0.916) 2.720 17.393 ( -1.231 2.616 0.609) 2.954 17.466 ( -0.102 2.829 -0.722) 2.922 17.888 ( -1.115 0.889 0.972) 1.726 18.037 ( -0.510 -3.426 -1.217) 3.672 18.975 ( 3.980 -0.508 0.683) 4.070 19.003 ( 3.297 -0.115 -0.084) 3.300 28.025 ( -0.843 0.610 1.568) 1.882 28.170 ( 2.147 -1.290 -1.537) 2.938 30.416 ( -0.828 3.279 0.068) 3.383 30.672 ( 4.585 -5.008 -4.402) 8.092 31.115 ( -2.468 2.334 5.163) 6.180 31.415 ( -5.520 -3.116 -3.327) 7.159 31.824 ( 4.274 9.348 2.072) 10.485 32.120 ( 4.500 -7.473 -0.086) 8.724 ======================= Grid point 448 (188/343) ======================= q-point: ( 0.31 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 3.583 0.235 -2.166) 4.193 1.231 ( -2.477 -1.177 -2.209) 3.522 1.752 ( 1.643 3.146 0.511) 3.586 1.858 ( 2.838 2.472 -3.637) 5.233 2.085 ( 14.540 4.107 4.415) 15.741 2.367 ( 10.615 1.393 -5.163) 11.886 2.711 ( 2.169 4.319 -2.274) 5.341 2.774 ( 0.860 -3.910 -1.433) 4.252 3.108 ( -4.168 2.604 0.210) 4.919 3.144 ( -4.837 -0.929 0.474) 4.948 3.352 ( 1.824 4.838 -1.627) 5.420 3.395 ( -2.633 -0.354 -2.915) 3.944 3.411 ( -2.563 10.140 0.284) 10.462 3.699 ( 3.621 -17.014 -4.327) 17.925 4.135 ( 9.810 4.281 1.774) 10.849 4.280 ( 10.114 -10.272 -0.953) 14.447 5.476 ( 2.034 2.439 7.905) 8.519 5.671 ( 5.646 2.759 -0.347) 6.294 6.804 ( 9.031 -11.741 5.317) 15.738 7.056 ( 9.818 -11.902 -5.108) 16.253 10.019 ( -7.562 8.030 2.093) 11.227 10.130 ( -5.261 3.684 -1.630) 6.627 10.417 ( -7.805 2.216 0.118) 8.114 10.455 ( -5.437 1.189 -1.489) 5.761 12.768 ( -15.424 1.800 1.472) 15.599 12.833 ( -16.399 2.734 -1.379) 16.683 15.857 ( 3.156 -1.872 1.796) 4.086 15.940 ( 1.306 -1.910 -1.684) 2.862 17.438 ( -1.498 1.470 1.786) 2.756 17.488 ( -0.409 2.304 -0.562) 2.406 17.907 ( 0.322 0.715 1.197) 1.431 18.003 ( 0.852 -1.858 -2.377) 3.135 18.915 ( 2.616 -0.975 1.232) 3.052 18.945 ( 2.697 -0.896 0.238) 2.852 28.057 ( -0.930 2.022 0.363) 2.255 28.116 ( 1.636 -2.716 -0.297) 3.185 30.421 ( 3.348 6.955 -1.667) 7.897 30.536 ( 3.936 -7.667 -1.838) 8.812 31.215 ( -3.636 1.394 7.268) 8.245 31.487 ( -6.213 -0.914 -4.679) 7.831 31.829 ( 3.491 9.572 0.413) 10.197 31.981 ( 3.933 -10.544 -0.401) 11.261 ======================= Grid point 449 (189/343) ======================= q-point: ( 0.38 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 3.940 0.000 2.782) 4.823 1.285 ( -5.047 -0.000 -4.713) 6.905 1.737 ( 2.533 0.000 0.535) 2.589 1.771 ( 8.825 0.000 -1.074) 8.890 1.865 ( 11.121 0.000 5.801) 12.543 2.119 ( 11.796 -0.000 -8.564) 14.577 2.703 ( 0.162 0.000 -0.237) 0.288 2.747 ( -0.833 -0.000 -2.769) 2.892 3.188 ( -2.711 -0.000 2.073) 3.413 3.241 ( -6.056 0.000 -1.364) 6.208 3.304 ( 4.244 -0.000 0.281) 4.253 3.373 ( 3.587 0.000 -3.800) 5.225 3.537 ( -2.955 -0.000 1.495) 3.311 3.568 ( -0.452 0.000 -0.324) 0.556 3.976 ( 8.224 -0.000 3.696) 9.016 4.131 ( 1.718 -0.000 -5.860) 6.106 5.476 ( 3.301 -0.000 5.331) 6.270 5.560 ( 7.586 -0.000 0.206) 7.589 6.682 ( 3.803 -0.000 5.208) 6.449 6.849 ( 5.955 0.000 -4.915) 7.721 10.167 ( -5.563 -0.000 1.765) 5.836 10.219 ( -4.804 0.000 -1.330) 4.985 10.562 ( -6.332 0.000 -0.586) 6.359 10.564 ( -7.458 -0.000 -0.679) 7.489 13.050 ( -13.949 0.000 1.909) 14.080 13.116 ( -14.711 -0.000 -2.081) 14.858 15.814 ( 2.204 -0.000 2.600) 3.409 15.900 ( 0.961 0.000 -2.603) 2.775 17.478 ( -1.132 -0.000 1.453) 1.842 17.496 ( 0.562 0.000 0.168) 0.587 17.899 ( 1.611 0.000 1.242) 2.034 17.961 ( 1.791 -0.000 -2.606) 3.162 18.888 ( 0.748 -0.000 1.456) 1.637 18.906 ( 1.255 0.000 0.629) 1.403 28.067 ( 1.706 0.000 0.844) 1.904 28.096 ( -1.658 -0.000 -0.928) 1.900 30.383 ( 5.523 0.000 -0.519) 5.547 30.411 ( 3.183 -0.000 -2.394) 3.983 31.336 ( -4.378 0.000 8.519) 9.578 31.561 ( -4.951 -0.000 -5.395) 7.322 31.835 ( 3.757 0.000 -0.376) 3.776 31.843 ( 1.888 -0.000 -0.887) 2.086 ======================= Grid point 461 (190/343) ======================= q-point: ( 0.23 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 5.172 -1.365 -0.380) 5.363 1.355 ( 2.939 -1.960 0.298) 3.545 1.715 ( 0.950 6.544 0.328) 6.620 1.829 ( -0.229 5.877 -1.589) 6.093 2.363 ( 8.161 9.985 4.205) 13.564 2.540 ( 5.818 10.320 -1.467) 11.937 2.761 ( 2.143 -2.668 6.131) 7.022 2.853 ( -2.082 17.161 0.212) 17.288 3.001 ( 4.301 -1.062 -3.301) 5.525 3.071 ( 3.351 4.237 -1.342) 5.566 3.168 ( -1.026 1.641 0.971) 2.165 3.287 ( -2.364 0.014 -2.154) 3.198 3.440 ( 2.859 -2.760 -1.658) 4.306 4.070 ( 7.448 8.010 -6.475) 12.711 4.230 ( -2.312 -12.987 1.419) 13.267 4.905 ( 8.962 -12.541 2.202) 15.571 5.465 ( 4.548 15.961 3.550) 16.972 5.646 ( -0.195 13.702 -2.128) 13.868 7.653 ( 18.144 -34.907 1.621) 39.374 7.915 ( 17.801 -35.387 -1.986) 39.662 9.287 ( -16.464 32.635 -0.772) 36.561 9.607 ( -13.978 21.819 0.590) 25.919 10.295 ( 1.803 0.461 0.940) 2.085 10.369 ( 1.379 -0.195 -1.021) 1.728 12.231 ( -14.906 -8.723 -0.091) 17.271 12.343 ( -13.002 -9.756 0.968) 16.284 16.012 ( 3.767 -0.506 0.175) 3.805 16.040 ( 3.458 -1.211 -0.111) 3.666 17.341 ( -1.894 3.393 -0.836) 3.975 17.454 ( 1.047 2.144 -0.368) 2.415 17.850 ( -2.985 0.676 0.220) 3.068 18.047 ( -1.377 -4.461 0.545) 4.701 19.049 ( 4.209 1.341 0.040) 4.418 19.057 ( 3.492 1.428 -0.229) 3.780 28.030 ( 0.466 0.339 2.521) 2.586 28.194 ( 1.069 -0.403 -2.765) 2.992 30.366 ( -4.072 0.969 3.093) 5.204 30.724 ( 0.473 -4.478 -7.324) 8.597 31.066 ( -2.353 4.557 2.670) 5.782 31.364 ( -1.719 -4.892 -2.127) 5.604 31.870 ( 6.504 8.772 3.807) 11.564 32.253 ( 6.093 -3.805 -0.067) 7.184 ======================= Grid point 462 (191/343) ======================= q-point: ( 0.31 0.62 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 1.872 -0.471 -0.522) 2.000 1.275 ( 3.609 -2.666 -1.508) 4.733 1.745 ( 1.101 6.393 0.128) 6.489 1.851 ( 0.879 3.837 -2.257) 4.538 2.282 ( 12.109 11.477 3.186) 16.986 2.479 ( 7.131 5.791 -2.538) 9.531 2.726 ( 2.995 1.013 1.134) 3.359 2.844 ( 5.403 -0.743 -2.250) 5.900 3.026 ( -3.500 3.132 1.184) 4.844 3.071 ( -1.868 3.901 -1.383) 4.541 3.252 ( -2.008 11.711 0.724) 11.904 3.330 ( -2.870 0.700 -1.445) 3.289 3.383 ( 0.212 -2.702 -1.952) 3.340 3.857 ( 6.103 -11.519 -6.755) 14.682 4.238 ( 3.432 2.704 2.900) 5.244 4.602 ( 13.614 -14.957 0.298) 20.227 5.522 ( 2.338 7.866 7.293) 10.979 5.696 ( 2.218 8.067 -2.576) 8.754 7.166 ( 14.110 -24.197 3.841) 28.273 7.382 ( 14.552 -26.778 -3.933) 30.729 9.747 ( -12.763 21.865 0.789) 25.329 9.940 ( -9.663 11.881 -1.021) 15.349 10.312 ( -2.782 1.022 1.311) 3.240 10.368 ( -2.178 0.427 -1.630) 2.753 12.484 ( -16.568 -0.717 0.470) 16.591 12.546 ( -14.437 -2.336 -0.040) 14.625 15.940 ( 3.547 -2.043 1.172) 4.258 15.977 ( 2.194 -1.869 -1.081) 3.078 17.398 ( -1.930 3.293 0.371) 3.835 17.460 ( -0.210 2.059 -0.445) 2.117 17.897 ( -1.171 1.543 0.686) 2.055 18.025 ( 0.184 -4.026 -0.865) 4.122 18.982 ( 3.685 -0.374 0.689) 3.767 19.001 ( 3.130 -0.195 -0.280) 3.149 28.042 ( 0.145 1.475 1.446) 2.071 28.154 ( 1.048 -2.187 -1.423) 2.812 30.418 ( 1.114 4.222 0.362) 4.382 30.631 ( 2.324 -6.095 -3.301) 7.311 31.168 ( -3.915 2.647 4.804) 6.739 31.378 ( -4.718 -3.536 -3.546) 6.880 31.843 ( 5.459 9.755 1.397) 11.265 32.119 ( 4.542 -7.660 -0.073) 8.906 ======================= Grid point 463 (192/343) ======================= q-point: ( 0.38 0.62 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 2.197 0.140 -0.704) 2.311 1.207 ( -0.770 -0.986 -2.042) 2.395 1.762 ( 1.446 3.345 1.207) 3.839 1.823 ( 2.644 1.354 -2.936) 4.177 2.131 ( 14.605 8.162 4.102) 17.227 2.314 ( 11.296 -2.238 -4.520) 12.371 2.691 ( 2.427 4.988 -1.386) 5.718 2.761 ( 1.113 -4.403 -0.902) 4.630 3.110 ( -4.396 2.440 0.146) 5.030 3.148 ( -5.002 -1.218 0.274) 5.156 3.334 ( 2.499 7.576 -1.469) 8.112 3.369 ( -1.788 -0.921 -1.607) 2.575 3.422 ( -3.874 8.304 0.845) 9.202 3.663 ( 1.873 -15.787 -2.286) 16.061 4.153 ( 9.156 3.142 1.490) 9.794 4.269 ( 11.915 -10.303 -0.978) 15.782 5.554 ( 2.800 2.631 6.696) 7.720 5.656 ( 4.688 2.564 -2.601) 5.942 6.862 ( 9.043 -10.669 5.435) 15.004 7.000 ( 9.685 -12.949 -5.321) 17.023 10.041 ( -7.493 8.801 1.815) 11.700 10.113 ( -5.575 3.194 -1.574) 6.615 10.421 ( -7.066 1.783 0.521) 7.306 10.440 ( -5.868 1.301 -1.261) 6.141 12.784 ( -15.591 2.066 1.580) 15.806 12.818 ( -16.013 2.533 -1.529) 16.284 15.877 ( 2.792 -1.689 1.893) 3.772 15.921 ( 1.681 -2.127 -1.829) 3.270 17.455 ( -1.657 2.014 1.352) 2.937 17.482 ( -0.757 1.908 -0.672) 2.160 17.920 ( 0.312 1.288 1.167) 1.766 17.981 ( 1.184 -2.567 -1.823) 3.363 18.927 ( 2.480 -0.724 1.020) 2.778 18.945 ( 2.354 -1.086 -0.215) 2.601 28.060 ( 0.064 2.845 0.231) 2.855 28.113 ( 0.668 -3.575 -0.191) 3.642 30.407 ( 3.984 7.352 -0.873) 8.408 30.521 ( 3.293 -8.064 -1.025) 8.770 31.290 ( -4.634 1.485 6.833) 8.389 31.433 ( -5.714 -1.026 -5.412) 7.937 31.832 ( 3.986 9.476 0.210) 10.282 31.977 ( 4.157 -10.422 -0.235) 11.223 ======================= Grid point 464 (193/343) ======================= q-point: ( 0.46 0.62 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.172 0.000 5.335) 5.338 1.227 ( -3.117 -0.000 -6.026) 6.784 1.745 ( 3.186 0.000 0.915) 3.315 1.757 ( 4.906 0.000 -1.321) 5.081 1.939 ( 13.140 0.000 7.968) 15.367 2.028 ( 12.771 -0.000 -8.677) 15.440 2.706 ( -0.296 0.000 0.875) 0.924 2.721 ( -0.711 -0.000 -2.027) 2.148 3.208 ( -3.885 -0.000 1.770) 4.269 3.225 ( -4.945 0.000 -1.554) 5.184 3.314 ( 3.562 -0.000 1.666) 3.933 3.338 ( 3.219 0.000 -2.824) 4.283 3.551 ( -2.482 -0.000 1.161) 2.740 3.562 ( -1.645 0.000 -0.776) 1.819 4.020 ( 6.561 0.000 4.632) 8.032 4.072 ( 4.442 -0.000 -5.295) 6.911 5.524 ( 4.936 -0.000 3.664) 6.147 5.552 ( 6.397 0.000 -1.752) 6.633 6.738 ( 4.504 -0.000 5.439) 7.062 6.795 ( 5.237 0.000 -5.332) 7.474 10.186 ( -5.253 -0.000 1.765) 5.541 10.204 ( -4.991 0.000 -1.608) 5.244 10.558 ( -6.748 0.000 -0.131) 6.750 10.559 ( -7.141 -0.000 -0.315) 7.148 13.071 ( -14.171 0.000 2.088) 14.324 13.094 ( -14.430 -0.000 -2.150) 14.590 15.842 ( 1.824 -0.000 2.778) 3.324 15.871 ( 1.403 0.000 -2.778) 3.112 17.490 ( -0.616 -0.000 0.834) 1.037 17.496 ( -0.042 0.000 -0.260) 0.263 17.914 ( 1.708 0.000 1.738) 2.437 17.935 ( 1.768 -0.000 -2.224) 2.841 18.901 ( 0.737 -0.000 1.000) 1.242 18.908 ( 0.884 0.000 -0.271) 0.925 28.076 ( 0.635 0.000 0.920) 1.118 28.086 ( -0.509 -0.000 -0.949) 1.077 30.382 ( 4.812 0.000 0.359) 4.825 30.391 ( 4.021 -0.000 -1.369) 4.248 31.422 ( -4.890 0.000 7.738) 9.154 31.498 ( -5.085 -0.000 -6.601) 8.333 31.833 ( 3.447 0.000 -0.010) 3.447 31.835 ( 2.833 -0.000 -0.484) 2.874 ======================= Grid point 475 (194/343) ======================= q-point: ( 0.23 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 4.132 2.024 0.602) 4.641 1.421 ( 3.501 -0.473 -0.760) 3.614 1.708 ( 1.673 4.364 2.557) 5.328 1.780 ( -0.075 4.041 -1.362) 4.265 2.449 ( 6.190 8.289 4.188) 11.161 2.551 ( 6.640 18.053 -1.504) 19.294 2.672 ( -5.507 7.035 -0.236) 8.937 2.878 ( 3.981 -1.796 6.994) 8.246 3.056 ( 2.354 9.007 1.176) 9.383 3.096 ( 3.199 -1.450 1.928) 4.007 3.168 ( 1.072 2.977 -2.790) 4.219 3.271 ( 1.667 -5.994 -3.933) 7.360 3.544 ( 6.004 -5.505 0.488) 8.160 4.016 ( -1.601 12.640 1.414) 12.819 4.345 ( 4.624 -12.881 -5.359) 14.698 5.087 ( -0.413 -10.391 3.866) 11.095 5.403 ( 5.209 29.139 -0.315) 29.602 5.515 ( 0.302 15.896 -3.564) 16.293 8.256 ( 19.174 -38.987 -0.143) 43.448 8.456 ( 13.988 -25.937 -0.655) 29.475 8.719 ( -17.185 38.974 -1.296) 42.614 9.208 ( -11.356 17.372 1.726) 20.826 10.354 ( 4.813 0.914 0.359) 4.913 10.420 ( 4.156 -0.671 -0.246) 4.217 12.092 ( -11.519 -18.850 -0.094) 22.091 12.225 ( -11.730 -16.970 0.910) 20.649 16.072 ( 3.970 2.106 -0.162) 4.497 16.121 ( 4.751 -0.099 0.198) 4.756 17.278 ( -2.163 2.142 -1.042) 3.218 17.464 ( 1.983 2.589 -0.286) 3.274 17.776 ( -5.334 -0.807 -0.350) 5.406 18.052 ( -2.379 -4.403 1.428) 5.204 19.093 ( 3.119 3.526 -0.304) 4.717 19.110 ( 4.256 3.707 -0.320) 5.653 28.060 ( 1.176 0.159 3.266) 3.475 28.186 ( 0.339 0.743 -3.746) 3.834 30.291 ( -6.573 -0.653 5.104) 8.347 30.672 ( -5.374 -5.758 -8.240) 11.398 31.012 ( -0.351 6.486 1.536) 6.675 31.384 ( 0.592 -4.973 -1.615) 5.262 31.971 ( 9.434 8.922 4.002) 13.587 32.393 ( 8.346 -0.089 -0.227) 8.349 ======================= Grid point 476 (195/343) ======================= q-point: ( 0.31 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.275 -0.644 -0.254) 5.320 1.357 ( 3.396 -2.779 0.155) 4.391 1.719 ( 1.929 6.874 0.393) 7.151 1.814 ( -0.237 5.421 -1.088) 5.535 2.402 ( 9.168 11.352 2.888) 14.875 2.524 ( 5.700 9.420 -1.411) 11.100 2.820 ( 6.084 5.379 4.269) 9.175 2.860 ( -2.726 11.833 1.763) 12.270 2.964 ( 4.289 -1.795 -3.805) 6.008 3.060 ( 2.797 1.758 -0.727) 3.383 3.179 ( -1.707 1.959 0.990) 2.781 3.269 ( -3.352 -0.969 -1.273) 3.715 3.425 ( 3.576 -3.056 -1.213) 4.858 4.000 ( 8.918 2.159 -5.411) 10.652 4.254 ( -3.691 -6.929 2.034) 8.110 4.922 ( 9.869 -13.112 1.067) 16.446 5.510 ( 2.123 16.338 4.751) 17.147 5.614 ( -0.156 14.148 -3.794) 14.649 7.668 ( 17.243 -34.071 1.031) 38.200 7.897 ( 18.560 -36.235 -1.250) 40.731 9.281 ( -16.863 33.163 -0.425) 37.206 9.612 ( -13.479 21.125 0.321) 25.061 10.304 ( 1.655 0.946 0.692) 2.028 10.360 ( 1.622 -0.732 -0.735) 1.925 12.231 ( -14.905 -8.411 -0.029) 17.115 12.351 ( -12.787 -9.812 0.525) 16.126 16.014 ( 3.292 -0.295 0.109) 3.307 16.039 ( 3.922 -1.395 -0.073) 4.163 17.334 ( -2.284 3.397 -0.467) 4.120 17.451 ( 0.870 1.727 -0.210) 1.945 17.852 ( -3.067 1.207 0.096) 3.298 18.052 ( -0.763 -4.676 0.333) 4.749 19.050 ( 3.700 1.361 0.064) 3.943 19.055 ( 3.728 1.443 -0.175) 4.001 28.055 ( 1.348 1.133 2.152) 2.780 28.166 ( 0.014 -1.209 -2.292) 2.592 30.397 ( -2.084 2.054 2.663) 3.956 30.658 ( -1.776 -5.833 -4.929) 7.841 31.090 ( -3.062 5.160 1.719) 6.242 31.345 ( -1.489 -5.536 -1.393) 5.899 31.901 ( 7.770 9.550 2.030) 12.478 32.252 ( 5.803 -4.331 -0.057) 7.241 ======================= Grid point 477 (196/343) ======================= q-point: ( 0.38 0.69 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 2.568 0.147 -0.186) 2.579 1.263 ( 3.907 -3.355 -0.627) 5.188 1.747 ( 1.365 8.000 0.200) 8.118 1.834 ( 0.878 2.198 -0.951) 2.551 2.309 ( 12.782 13.476 1.536) 18.637 2.458 ( 7.006 3.579 -1.283) 7.971 2.738 ( 6.340 2.548 0.929) 6.895 2.823 ( 3.463 -2.240 -1.372) 4.346 3.040 ( -2.668 2.459 1.326) 3.863 3.056 ( -2.940 5.181 -1.341) 6.107 3.256 ( -1.024 12.165 0.134) 12.209 3.323 ( -3.478 -0.965 -0.182) 3.614 3.367 ( -0.148 -2.379 -0.897) 2.547 3.809 ( 5.201 -10.855 -2.339) 12.262 4.258 ( 3.653 1.910 0.959) 4.232 4.604 ( 14.059 -14.773 0.059) 20.394 5.595 ( 1.888 8.121 6.431) 10.530 5.657 ( 1.791 7.855 -4.725) 9.340 7.199 ( 13.320 -22.418 2.012) 26.154 7.348 ( 15.243 -28.550 -2.050) 32.429 9.753 ( -13.207 22.649 0.306) 26.220 9.932 ( -9.289 11.117 -0.390) 14.492 10.325 ( -2.786 1.497 0.982) 3.312 10.353 ( -2.039 -0.142 -1.094) 2.319 12.487 ( -16.825 -0.193 0.174) 16.827 12.545 ( -13.990 -2.742 -0.019) 14.256 15.952 ( 3.125 -1.995 1.217) 3.903 15.965 ( 2.596 -1.936 -1.184) 3.448 17.400 ( -2.352 3.743 0.118) 4.422 17.457 ( -0.235 1.563 -0.144) 1.587 17.902 ( -1.271 2.001 0.248) 2.383 18.019 ( 0.634 -4.461 -0.314) 4.516 18.989 ( 3.517 -0.183 0.497) 3.557 18.997 ( 3.042 -0.355 -0.353) 3.083 28.053 ( 1.051 2.386 0.663) 2.691 28.142 ( 0.078 -3.115 -0.655) 3.184 30.422 ( 2.559 5.072 0.227) 5.686 30.606 ( 0.711 -7.030 -1.263) 7.178 31.210 ( -5.345 3.603 2.507) 6.916 31.346 ( -3.633 -4.544 -2.061) 6.172 31.853 ( 6.104 9.997 0.492) 11.723 32.119 ( 4.557 -7.783 -0.029) 9.019 ======================= Grid point 478 (197/343) ======================= q-point: ( 0.46 0.69 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.080 0.362 -0.000) 0.371 1.194 ( 1.428 -1.165 0.000) 1.843 1.772 ( 1.345 4.582 -0.000) 4.776 1.804 ( 2.619 -0.191 0.000) 2.626 2.157 ( 14.694 11.956 -0.000) 18.943 2.286 ( 11.464 -5.914 0.000) 12.900 2.684 ( 2.615 5.222 -0.000) 5.840 2.756 ( 1.133 -4.562 0.000) 4.700 3.111 ( -4.472 2.370 -0.000) 5.061 3.150 ( -5.069 -1.321 0.000) 5.238 3.326 ( 2.363 8.438 -0.000) 8.762 3.361 ( -1.530 -1.852 0.000) 2.402 3.426 ( -3.907 8.545 -0.000) 9.396 3.651 ( 1.251 -15.457 0.000) 15.508 4.162 ( 8.622 3.024 -0.000) 9.137 4.263 ( 12.797 -10.538 0.000) 16.577 5.609 ( 4.108 3.691 -0.000) 5.523 5.622 ( 3.337 1.500 -0.000) 3.659 6.903 ( 8.888 -8.092 0.000) 12.020 6.959 ( 9.794 -15.516 0.000) 18.349 10.052 ( -7.533 9.785 -0.000) 12.348 10.103 ( -5.628 2.311 -0.000) 6.084 10.427 ( -6.235 1.342 -0.000) 6.378 10.429 ( -6.585 1.627 -0.000) 6.783 12.800 ( -16.608 2.424 -0.000) 16.784 12.802 ( -14.916 2.198 -0.000) 15.078 15.892 ( 2.655 -0.986 0.000) 2.832 15.906 ( 1.821 -2.842 0.000) 3.375 17.464 ( -1.849 2.687 -0.000) 3.262 17.476 ( -0.743 1.289 -0.000) 1.488 17.928 ( 0.155 2.066 -0.000) 2.072 17.969 ( 1.454 -3.396 0.000) 3.694 18.934 ( 2.516 -0.320 0.000) 2.537 18.942 ( 2.150 -1.470 0.000) 2.605 28.061 ( 0.481 3.205 -0.000) 3.241 28.112 ( 0.260 -3.947 0.000) 3.956 30.403 ( 4.220 7.507 -0.000) 8.612 30.515 ( 3.047 -8.219 0.000) 8.765 31.344 ( -5.602 3.315 -0.000) 6.509 31.387 ( -4.927 -2.863 0.000) 5.699 31.833 ( 4.170 9.449 -0.000) 10.328 31.976 ( 4.236 -10.385 0.000) 11.216 ======================= Grid point 489 (198/343) ======================= q-point: ( 0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 1.107 5.490 2.248) 6.034 1.456 ( 2.138 2.890 -2.498) 4.377 1.718 ( -0.221 4.011 1.660) 4.347 1.748 ( -0.318 2.514 -0.298) 2.551 2.433 ( 0.364 17.289 0.377) 17.297 2.538 ( 5.447 5.304 1.170) 7.693 2.637 ( 1.392 -2.168 -0.612) 2.648 2.941 ( -0.846 11.489 2.842) 11.865 3.017 ( 1.628 -0.573 2.099) 2.717 3.125 ( -1.989 -0.043 -2.118) 2.906 3.195 ( -0.059 -6.782 4.837) 8.330 3.379 ( 9.764 0.264 -4.577) 10.787 3.732 ( 8.362 -8.495 2.180) 12.118 3.908 ( -1.829 8.481 1.549) 8.813 4.486 ( 8.136 0.474 -3.478) 8.861 5.023 ( -12.512 0.688 0.719) 12.552 5.284 ( 6.055 30.297 2.052) 30.964 5.400 ( 1.687 17.489 -4.884) 18.236 8.150 ( -13.841 39.571 -0.907) 41.931 8.399 ( -13.289 29.586 0.213) 32.435 8.868 ( 18.442 -37.610 -0.822) 41.896 9.321 ( 12.589 -30.117 1.246) 32.666 10.454 ( 6.947 0.753 0.055) 6.988 10.515 ( 5.761 -0.876 0.120) 5.828 12.095 ( -7.300 -28.945 0.216) 29.852 12.178 ( -10.252 -24.068 0.336) 26.163 16.123 ( 4.670 5.328 -0.047) 7.085 16.205 ( 5.192 1.886 0.125) 5.525 17.228 ( -2.074 -0.165 -0.683) 2.190 17.479 ( 2.202 3.918 0.060) 4.495 17.676 ( -7.149 -3.863 -0.629) 8.151 18.034 ( -3.866 -3.823 1.316) 5.594 19.107 ( 2.418 6.004 -0.461) 6.489 19.146 ( 3.879 5.943 -0.436) 7.110 28.086 ( -0.410 0.891 2.594) 2.773 28.174 ( 1.912 0.921 -3.020) 3.691 30.200 ( -7.539 -1.910 4.791) 9.134 30.550 ( -9.063 -7.980 -6.554) 13.739 30.974 ( 0.578 7.810 1.462) 7.967 31.429 ( 1.459 -4.299 -0.648) 4.586 32.104 ( 11.040 10.248 1.862) 15.178 32.554 ( 11.650 3.909 0.031) 12.288 ======================= Grid point 490 (199/343) ======================= q-point: ( 0.31 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 5.168 0.931 0.260) 5.257 1.415 ( 2.331 0.949 -0.324) 2.537 1.730 ( 1.933 2.419 1.521) 3.450 1.766 ( 0.154 5.110 -1.120) 5.234 2.483 ( 6.764 9.067 1.971) 11.483 2.536 ( 6.612 18.625 -1.095) 19.794 2.668 ( -5.015 8.857 -0.252) 10.181 2.933 ( 2.703 -1.953 2.734) 4.312 3.070 ( 2.447 9.220 1.306) 9.628 3.117 ( 10.674 2.086 0.866) 10.911 3.150 ( -2.087 -2.195 0.099) 3.031 3.230 ( -2.041 -7.509 -3.221) 8.422 3.548 ( 6.806 -6.232 0.232) 9.231 4.018 ( 1.394 14.703 -0.344) 14.773 4.310 ( 2.100 -14.777 -1.407) 14.991 5.117 ( -0.455 -12.695 1.569) 12.799 5.403 ( 3.592 30.038 0.204) 30.253 5.485 ( 0.955 17.907 -1.800) 18.023 8.255 ( 18.752 -39.142 -0.061) 43.403 8.452 ( 14.088 -25.651 -0.232) 29.266 8.710 ( -17.209 39.230 -0.435) 42.840 9.220 ( -11.026 16.878 0.592) 20.169 10.356 ( 4.745 1.184 0.134) 4.892 10.418 ( 4.273 -0.981 -0.092) 4.385 12.092 ( -11.442 -18.792 -0.025) 22.002 12.232 ( -11.727 -16.861 0.320) 20.540 16.071 ( 4.027 2.204 -0.056) 4.591 16.123 ( 4.728 -0.128 0.069) 4.730 17.271 ( -2.285 1.965 -0.359) 3.035 17.461 ( 1.896 2.261 -0.134) 2.954 17.773 ( -5.359 -0.373 -0.096) 5.372 18.062 ( -2.098 -4.423 0.500) 4.921 19.091 ( 3.125 3.654 -0.112) 4.809 19.108 ( 4.072 3.644 -0.117) 5.466 28.093 ( 2.095 0.723 2.794) 3.567 28.149 ( -0.690 0.153 -2.969) 3.052 30.336 ( -5.499 0.563 2.729) 6.165 30.605 ( -6.264 -7.109 -3.810) 10.213 31.024 ( -0.248 6.832 0.587) 6.861 31.372 ( 0.434 -5.455 -0.597) 5.504 31.999 ( 9.841 9.821 1.390) 13.972 32.391 ( 8.038 -0.783 -0.094) 8.077 ======================= Grid point 491 (200/343) ======================= q-point: ( 0.38 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 5.309 -0.394 0.000) 5.323 1.358 ( 3.576 -3.068 0.000) 4.711 1.722 ( 2.367 7.102 -0.000) 7.486 1.808 ( -0.327 5.158 -0.000) 5.168 2.418 ( 9.692 12.298 -0.000) 15.659 2.516 ( 5.430 8.607 -0.000) 10.177 2.838 ( 3.753 19.342 -0.000) 19.703 2.885 ( 2.734 -1.277 0.000) 3.018 2.933 ( 2.593 -1.753 0.000) 3.130 3.056 ( 2.487 0.819 -0.000) 2.618 3.185 ( -1.692 2.144 -0.000) 2.732 3.261 ( -4.114 -1.701 0.000) 4.452 3.418 ( 3.975 -3.020 0.000) 4.992 3.970 ( 8.869 1.101 -0.000) 8.937 4.265 ( -3.694 -5.756 0.000) 6.839 4.928 ( 10.239 -13.219 0.000) 16.720 5.552 ( 0.407 17.431 -0.000) 17.436 5.578 ( 0.670 13.276 -0.000) 13.293 7.673 ( 16.853 -33.708 0.000) 37.686 7.890 ( 18.900 -36.603 0.000) 41.194 9.279 ( -16.997 33.344 -0.000) 37.426 9.614 ( -13.308 20.883 -0.000) 24.763 10.308 ( 1.567 1.251 -0.000) 2.005 10.356 ( 1.744 -1.056 0.000) 2.039 12.231 ( -14.902 -8.304 0.000) 17.060 12.354 ( -12.712 -9.828 0.000) 16.068 16.014 ( 3.094 -0.207 0.000) 3.100 16.039 ( 4.116 -1.473 0.000) 4.372 17.331 ( -2.414 3.391 -0.000) 4.162 17.450 ( 0.794 1.589 -0.000) 1.776 17.852 ( -3.085 1.388 -0.000) 3.383 18.053 ( -0.552 -4.748 0.000) 4.780 19.050 ( 3.335 1.366 -0.000) 3.604 19.054 ( 3.994 1.450 -0.000) 4.249 28.069 ( 2.066 1.812 -0.000) 2.748 28.152 ( -0.766 -1.893 0.000) 2.042 30.413 ( -0.927 2.889 -0.000) 3.034 30.630 ( -3.014 -6.763 0.000) 7.404 31.100 ( -3.367 5.469 -0.000) 6.423 31.337 ( -1.344 -5.858 0.000) 6.010 31.912 ( 8.215 9.849 -0.000) 12.825 32.252 ( 5.685 -4.543 0.000) 7.277 ======================= Grid point 502 (201/343) ======================= q-point: ( 0.23 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -5.640 11.108 0.991) 12.497 1.473 ( 1.769 -0.272 -1.077) 2.089 1.585 ( -5.805 14.736 -0.208) 15.840 1.748 ( -0.849 -0.323 0.480) 1.028 2.359 ( -0.819 1.979 0.173) 2.149 2.623 ( 6.342 1.969 0.561) 6.664 2.692 ( 2.808 -2.356 -0.217) 3.671 2.790 ( -4.253 12.816 0.228) 13.506 3.081 ( -1.426 -0.909 0.212) 1.704 3.107 ( 1.544 -7.369 0.188) 7.531 3.228 ( -3.692 -8.856 1.147) 9.663 3.533 ( 11.293 6.433 -1.446) 13.077 3.862 ( 1.956 7.432 0.995) 7.749 3.944 ( 8.255 -2.090 1.153) 8.593 4.550 ( 7.792 22.259 0.053) 23.584 4.721 ( -13.189 13.337 -2.044) 18.868 5.151 ( -3.780 21.411 1.454) 21.791 5.280 ( 0.865 12.822 -2.023) 13.010 7.692 ( -6.874 35.342 -0.232) 36.005 7.896 ( -15.107 33.243 0.009) 36.515 9.416 ( 15.464 -31.134 -0.423) 34.765 9.762 ( 11.078 -27.144 0.465) 29.321 10.584 ( 7.690 -0.173 0.006) 7.692 10.630 ( 6.132 -0.957 0.113) 6.207 12.213 ( -7.481 -31.715 0.438) 32.588 12.249 ( -2.715 -37.692 -0.202) 37.791 16.157 ( 4.935 9.455 0.009) 10.665 16.276 ( 5.136 4.609 0.131) 6.902 17.204 ( -1.453 -2.852 -0.258) 3.211 17.469 ( -1.428 2.836 0.306) 3.190 17.597 ( -4.373 -5.728 -0.474) 7.222 17.980 ( -5.700 -3.376 0.763) 6.668 19.085 ( 1.258 8.598 -0.670) 8.716 19.159 ( 3.286 7.745 -0.278) 8.418 28.054 ( -1.861 2.691 0.094) 3.273 28.217 ( 3.451 -0.292 -0.250) 3.473 30.108 ( -6.862 -3.349 2.626) 8.075 30.404 ( -11.568 -10.217 -3.614) 15.851 30.930 ( 0.302 9.093 1.240) 9.183 31.492 ( 2.444 -3.704 0.527) 4.469 32.219 ( 10.062 11.953 -0.310) 15.628 32.761 ( 16.886 8.590 0.555) 18.954 ======================= Grid point 503 (202/343) ======================= q-point: ( 0.31 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.091 6.187 -0.000) 6.283 1.436 ( 2.154 2.030 -0.000) 2.960 1.727 ( -1.610 4.734 -0.000) 5.000 1.746 ( 0.914 1.651 -0.000) 1.887 2.434 ( 0.535 18.600 -0.000) 18.608 2.545 ( 5.709 5.446 -0.000) 7.889 2.633 ( 1.354 -2.391 0.000) 2.747 2.957 ( -1.421 12.984 -0.000) 13.062 3.027 ( 1.912 -1.619 0.000) 2.505 3.112 ( -1.899 -0.164 0.000) 1.906 3.232 ( -4.049 -11.632 0.000) 12.316 3.347 ( 13.161 3.758 -0.000) 13.687 3.745 ( 8.552 -9.120 0.000) 12.503 3.916 ( -1.260 9.593 -0.000) 9.676 4.467 ( 8.060 -0.858 0.000) 8.106 5.026 ( -13.342 2.232 -0.000) 13.527 5.300 ( 6.619 27.393 -0.000) 28.181 5.369 ( 1.661 19.689 -0.000) 19.759 8.145 ( -13.790 39.537 -0.000) 41.873 8.400 ( -13.291 29.430 -0.000) 32.291 8.864 ( 18.414 -37.609 0.000) 41.875 9.328 ( 12.541 -29.943 0.000) 32.463 10.454 ( 6.942 0.821 -0.000) 6.990 10.516 ( 5.777 -0.976 0.000) 5.859 12.096 ( -7.172 -29.042 0.000) 29.915 12.180 ( -10.375 -23.913 0.000) 26.067 16.123 ( 4.726 5.418 -0.000) 7.190 16.206 ( 5.187 1.845 -0.000) 5.505 17.225 ( -2.084 -0.278 0.000) 2.102 17.480 ( 2.312 3.762 -0.000) 4.416 17.672 ( -7.222 -3.642 0.000) 8.088 18.041 ( -3.801 -3.820 0.000) 5.389 19.105 ( 2.341 6.181 -0.000) 6.609 19.144 ( 3.804 5.861 -0.000) 6.987 28.104 ( -1.912 1.474 -0.000) 2.414 28.153 ( 3.405 0.307 -0.000) 3.419 30.228 ( -7.269 -1.060 0.000) 7.346 30.512 ( -9.296 -8.874 0.000) 12.852 30.982 ( 0.877 8.011 -0.000) 8.059 31.425 ( 1.681 -4.555 0.000) 4.856 32.114 ( 10.690 10.750 -0.000) 15.160 32.554 ( 11.637 3.453 -0.000) 12.139 ======================= Grid point 515 (203/343) ======================= q-point: ( 0.23 -0.08 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -12.745 13.395 -0.000) 18.489 1.278 ( -11.804 17.244 -0.000) 20.897 1.560 ( 4.880 0.119 -0.000) 4.881 1.709 ( -3.010 1.529 -0.000) 3.376 2.355 ( -3.022 -8.058 0.000) 8.606 2.663 ( -0.157 7.857 -0.000) 7.859 2.740 ( 4.926 -3.964 0.000) 6.323 2.753 ( 1.820 -2.246 0.000) 2.891 3.057 ( -1.209 0.213 -0.000) 1.228 3.179 ( -2.820 -11.079 0.000) 11.433 3.238 ( 0.881 -4.243 0.000) 4.334 3.660 ( 9.622 9.646 -0.000) 13.625 3.848 ( 2.126 10.839 -0.000) 11.046 3.943 ( 1.529 37.772 -0.000) 37.803 4.413 ( 3.608 45.085 -0.000) 45.229 4.450 ( -10.493 -6.981 0.000) 12.603 4.862 ( -12.881 13.888 -0.000) 18.942 5.257 ( 1.931 0.780 -0.000) 2.083 7.404 ( -0.269 29.183 -0.000) 29.184 7.446 ( -10.655 27.231 -0.000) 29.242 9.834 ( 10.178 -22.185 0.000) 24.408 10.082 ( 6.527 -19.094 0.000) 20.179 10.713 ( 6.018 -0.731 0.000) 6.063 10.739 ( 5.186 -0.690 0.000) 5.231 12.369 ( -2.878 -38.695 0.000) 38.802 12.528 ( 0.981 -43.055 0.000) 43.066 16.159 ( 4.581 14.034 -0.000) 14.763 16.315 ( 4.082 7.963 -0.000) 8.948 17.220 ( 0.336 -5.097 0.000) 5.108 17.412 ( -4.821 -5.416 0.000) 7.251 17.590 ( -0.160 -1.677 0.000) 1.685 17.890 ( -7.569 -3.760 0.000) 8.451 19.025 ( 0.123 10.964 -0.000) 10.965 19.149 ( 2.384 9.071 -0.000) 9.379 28.000 ( -1.583 3.469 -0.000) 3.813 28.281 ( 3.144 -0.858 0.000) 3.258 30.039 ( -4.996 -5.173 0.000) 7.192 30.247 ( -13.574 -10.978 0.000) 17.458 30.865 ( -0.289 10.200 -0.000) 10.204 31.569 ( 2.954 -3.399 0.000) 4.504 32.284 ( 7.317 13.038 -0.000) 14.951 33.051 ( 24.712 12.820 -0.000) 27.839 ======================= Grid point 528 (204/343) ======================= q-point: ( 0.23 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 16.812 -0.000) 16.812 0.974 ( 0.000 21.276 -0.000) 21.276 1.642 ( 0.000 4.155 -0.000) 4.155 1.665 ( -0.000 -3.819 0.000) 3.819 2.145 ( -0.000 -13.862 0.000) 13.862 2.645 ( -0.000 -7.510 0.000) 7.510 2.767 ( 0.000 1.100 -0.000) 1.100 2.832 ( -0.000 -6.405 0.000) 6.405 3.040 ( -0.000 -1.270 0.000) 1.270 3.132 ( -0.000 -3.658 0.000) 3.658 3.279 ( -0.000 -5.665 0.000) 5.665 3.823 ( 0.000 13.591 -0.000) 13.591 3.889 ( 0.000 17.590 -0.000) 17.590 4.016 ( 0.000 3.301 -0.000) 3.301 4.147 ( 0.000 74.964 -0.000) 74.964 4.508 ( 0.000 62.662 -0.000) 62.662 4.564 ( -0.000 -9.044 0.000) 9.044 5.290 ( -0.000 -4.425 0.000) 4.425 7.243 ( 0.000 21.076 -0.000) 21.076 7.423 ( 0.000 24.569 -0.000) 24.569 10.025 ( -0.000 -15.602 0.000) 15.602 10.203 ( -0.000 -15.843 0.000) 15.843 10.823 ( 0.000 0.218 -0.000) 0.218 10.844 ( 0.000 0.160 -0.000) 0.160 12.338 ( -0.000 -49.874 0.000) 49.874 12.552 ( -0.000 -48.822 0.000) 48.822 16.280 ( 0.000 17.415 -0.000) 17.415 16.400 ( 0.000 10.874 -0.000) 10.874 17.282 ( -0.000 -12.277 0.000) 12.277 17.297 ( -0.000 -11.040 0.000) 11.040 17.610 ( 0.000 1.103 -0.000) 1.103 17.633 ( -0.000 -1.271 0.000) 1.271 19.025 ( 0.000 12.546 -0.000) 12.546 19.192 ( 0.000 9.207 -0.000) 9.207 27.972 ( 0.000 4.191 -0.000) 4.191 28.343 ( -0.000 -1.551 0.000) 1.551 29.917 ( -0.000 -3.011 0.000) 3.011 29.944 ( -0.000 -6.406 0.000) 6.406 30.857 ( 0.000 11.174 -0.000) 11.174 31.632 ( -0.000 -4.083 0.000) 4.083 32.424 ( 0.000 15.105 -0.000) 15.105 33.781 ( -0.000 -6.475 0.000) 6.475 ======================= Grid point 529 (205/343) ======================= q-point: ( 0.31 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -12.041 15.883 0.785) 19.947 1.216 ( -8.860 17.907 2.027) 20.082 1.628 ( 2.056 -0.146 0.213) 2.072 1.685 ( -1.549 3.215 -0.221) 3.576 2.149 ( -8.767 -12.816 -0.165) 15.528 2.630 ( -2.638 -6.963 6.075) 9.610 2.759 ( 0.728 -2.188 0.269) 2.322 2.772 ( 1.621 -5.827 0.291) 6.056 3.032 ( -0.744 -1.788 0.270) 1.956 3.108 ( 0.287 -2.498 -0.494) 2.562 3.233 ( 0.952 -4.538 0.066) 4.638 3.821 ( 4.922 4.843 -0.154) 6.907 3.950 ( 1.802 7.547 -1.575) 7.917 4.176 ( -11.902 -5.214 1.975) 13.143 4.343 ( 11.579 20.442 -0.775) 23.506 4.867 ( -8.135 56.897 -1.408) 57.493 4.905 ( 5.990 54.199 1.949) 54.564 5.278 ( -1.710 5.391 -0.995) 5.743 7.465 ( -7.309 24.391 0.225) 25.464 7.599 ( -0.177 26.276 -0.030) 26.277 9.843 ( 7.111 -19.843 0.247) 21.080 10.044 ( 4.352 -18.950 -0.250) 19.445 10.795 ( 3.305 0.129 0.031) 3.307 10.814 ( 3.345 -0.138 -0.041) 3.348 12.002 ( -3.130 -48.315 0.114) 48.416 12.195 ( -0.539 -50.569 -0.277) 50.573 16.347 ( 4.777 14.345 -0.394) 15.125 16.442 ( 3.379 8.783 -0.319) 9.416 17.200 ( 1.433 -6.684 -0.070) 6.836 17.253 ( -5.508 -9.096 0.040) 10.634 17.605 ( 1.087 0.696 -0.585) 1.417 17.710 ( -8.149 -3.325 -0.831) 8.840 19.113 ( 0.352 10.935 1.931) 11.110 19.244 ( 1.222 8.139 0.429) 8.241 28.010 ( -0.607 4.288 0.360) 4.346 28.314 ( 1.674 -1.658 -0.515) 2.412 29.921 ( -2.998 -5.073 -2.363) 6.349 29.993 ( -8.820 -5.622 4.379) 11.339 30.931 ( -0.096 10.680 -2.107) 10.887 31.577 ( 1.619 -4.380 -3.178) 5.649 32.501 ( 4.675 15.638 2.569) 16.523 33.520 ( 20.130 -0.547 -2.936) 20.351 ======================= Grid point 530 (206/343) ======================= q-point: ( 0.38 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -10.337 13.883 -0.841) 17.329 1.463 ( -4.878 5.388 2.251) 7.609 1.634 ( -0.332 10.917 0.599) 10.939 1.729 ( -1.415 1.808 -0.509) 2.352 2.234 ( -9.391 -7.099 -1.573) 11.877 2.657 ( 0.270 -4.500 -0.161) 4.511 2.716 ( 1.404 -3.590 0.340) 3.870 2.757 ( -4.826 -2.714 6.031) 8.188 3.047 ( -1.595 -0.962 0.651) 1.973 3.078 ( 1.370 0.300 -1.896) 2.358 3.190 ( 0.846 -3.043 0.759) 3.249 3.749 ( 7.124 5.064 0.002) 8.740 3.938 ( 2.670 4.512 -2.816) 5.951 4.068 ( 9.062 -10.579 -2.526) 14.157 4.524 ( -12.228 6.563 2.145) 14.043 4.916 ( 13.330 14.320 1.332) 19.610 5.400 ( -1.764 56.357 0.475) 56.387 5.459 ( 2.355 36.747 -0.107) 36.822 7.822 ( -6.035 30.224 -0.955) 30.835 7.864 ( -12.614 29.431 1.277) 32.046 9.481 ( 14.860 -27.481 0.733) 31.250 9.760 ( 10.038 -25.298 -0.790) 27.228 10.710 ( 6.250 0.198 -0.008) 6.253 10.730 ( 5.563 -0.485 -0.076) 5.584 11.798 ( -9.549 -40.760 -0.223) 41.864 11.886 ( -4.423 -46.001 -0.094) 46.213 16.325 ( 6.494 9.219 -0.470) 11.286 16.405 ( 5.731 4.937 -0.244) 7.569 17.170 ( -1.060 -1.695 0.419) 2.043 17.343 ( -9.253 -3.864 -0.166) 10.028 17.580 ( 1.777 0.149 -0.222) 1.797 17.823 ( -7.884 -4.458 -1.359) 9.159 19.178 ( 1.430 8.702 1.692) 8.979 19.268 ( 2.527 6.918 0.814) 7.410 28.054 ( -0.815 3.674 0.353) 3.780 28.263 ( 2.357 -1.275 -0.295) 2.696 29.948 ( -5.609 -3.996 -4.523) 8.239 30.163 ( -11.387 -6.915 7.212) 15.149 30.988 ( 0.124 9.563 -3.625) 10.228 31.494 ( 1.730 -4.271 -3.711) 5.916 32.497 ( 9.626 14.285 2.892) 17.467 33.146 ( 20.612 3.253 -1.549) 20.924 ======================= Grid point 531 (207/343) ======================= q-point: ( 0.46 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -1.661 8.050 -1.947) 8.447 1.516 ( 0.482 3.059 2.427) 3.935 1.740 ( -0.625 6.446 -0.320) 6.484 1.758 ( -0.894 3.278 -0.197) 3.404 2.373 ( -10.149 0.874 -4.179) 11.010 2.597 ( 2.171 -1.465 -2.007) 3.300 2.676 ( 0.905 -1.273 -0.007) 1.562 2.889 ( -6.077 -3.920 3.274) 7.938 3.060 ( 0.085 3.524 -1.772) 3.945 3.086 ( -1.422 2.801 0.994) 3.295 3.177 ( -0.025 1.683 1.528) 2.273 3.634 ( 11.165 7.173 0.064) 13.271 3.794 ( 8.368 -11.124 -4.081) 14.506 3.925 ( 1.030 4.377 -3.118) 5.471 4.685 ( 3.016 -7.254 -0.630) 7.881 4.828 ( -1.689 6.340 6.337) 9.122 5.636 ( 6.818 35.420 0.982) 36.084 5.713 ( 7.475 45.297 0.491) 45.912 8.195 ( -11.229 33.834 0.897) 35.660 8.353 ( -15.468 29.226 0.067) 33.067 8.958 ( 19.454 -33.083 1.211) 38.398 9.328 ( 13.910 -31.145 -1.753) 34.155 10.588 ( 7.450 0.613 -0.143) 7.476 10.619 ( 6.314 -0.430 -0.038) 6.328 11.706 ( -10.199 -35.736 -0.886) 37.173 11.762 ( -13.388 -32.133 0.142) 34.811 16.256 ( 6.274 4.811 -0.492) 7.921 16.320 ( 6.272 2.048 -0.016) 6.598 17.205 ( -1.970 2.087 1.134) 3.086 17.500 ( -9.724 -0.623 -0.211) 9.746 17.545 ( 2.165 0.158 0.440) 2.215 17.904 ( -6.074 -5.253 -1.974) 8.270 19.201 ( 2.688 6.212 0.671) 6.802 19.262 ( 3.764 5.659 1.173) 6.897 28.082 ( 0.076 1.968 -1.243) 2.329 28.223 ( 1.621 -0.070 1.782) 2.410 30.013 ( -7.676 -2.865 -6.487) 10.450 30.361 ( -10.999 -6.004 9.411) 15.671 31.025 ( 0.352 7.904 -3.981) 8.857 31.426 ( 0.996 -3.936 -1.418) 4.300 32.389 ( 13.372 11.171 -0.577) 17.434 32.835 ( 16.566 2.809 0.757) 16.820 ======================= Grid point 532 (208/343) ======================= q-point: ( 0.54 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 2.684 4.548 -1.112) 5.397 1.501 ( 4.314 0.025 1.112) 4.455 1.752 ( 1.376 4.226 -1.295) 4.629 1.800 ( -0.741 3.467 0.617) 3.599 2.487 ( -3.372 0.289 -11.612) 12.095 2.578 ( -3.164 -0.076 -0.387) 3.189 2.672 ( -0.939 0.941 -1.189) 1.783 2.922 ( 1.514 4.908 0.049) 5.137 3.068 ( -0.523 -2.459 -0.924) 2.679 3.134 ( -1.112 1.986 2.913) 3.696 3.259 ( -0.458 11.262 2.126) 11.470 3.454 ( 13.658 8.016 0.450) 15.843 3.603 ( 5.286 -5.496 -1.034) 7.695 3.966 ( -4.844 4.056 -5.249) 8.214 4.490 ( 10.569 -7.776 4.972) 14.032 4.944 ( -4.304 -4.909 2.489) 6.987 5.742 ( 6.963 26.893 2.182) 27.865 5.808 ( 12.729 34.197 0.143) 36.490 8.349 ( 20.100 -33.525 1.567) 39.120 8.530 ( 12.070 -19.606 0.240) 23.024 8.706 ( -14.439 33.867 1.186) 36.836 9.091 ( -10.812 9.135 -2.446) 14.365 10.463 ( 6.866 0.748 -0.479) 6.923 10.508 ( 5.789 -0.221 0.282) 5.800 11.707 ( -14.331 -23.842 -0.270) 27.819 11.825 ( -15.855 -23.556 -1.012) 28.413 16.173 ( 5.492 2.091 -0.356) 5.887 16.218 ( 6.091 0.332 0.030) 6.100 17.273 ( -1.977 4.392 1.845) 5.158 17.510 ( 1.672 -1.500 1.326) 2.609 17.662 ( -7.609 2.538 -0.619) 8.045 17.944 ( -4.397 -5.934 -2.448) 7.781 19.182 ( 3.563 3.873 0.103) 5.263 19.226 ( 4.927 4.032 1.101) 6.461 28.063 ( 1.284 0.251 -3.033) 3.304 28.225 ( 0.638 0.923 3.885) 4.044 30.108 ( -8.812 -1.710 -6.970) 11.365 30.558 ( -8.985 -4.171 10.592) 14.502 31.048 ( 0.286 5.965 -3.352) 6.848 31.385 ( 1.013 -3.491 1.806) 4.059 32.196 ( 13.016 7.443 -5.772) 16.067 32.597 ( 13.301 1.297 2.297) 13.560 ======================= Grid point 533 (209/343) ======================= q-point: ( 0.62 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 6.951 -1.178 -0.404) 7.062 1.412 ( 3.990 0.805 -0.458) 4.096 1.763 ( 0.699 5.140 -0.479) 5.209 1.847 ( -1.651 2.842 1.082) 3.460 2.445 ( 0.035 1.524 -10.477) 10.587 2.619 ( -1.658 -0.327 -2.837) 3.302 2.684 ( -1.499 -2.097 -3.515) 4.359 2.950 ( 1.243 9.498 -0.040) 9.579 3.050 ( 0.226 -2.084 0.820) 2.250 3.166 ( 1.962 -2.819 4.271) 5.481 3.312 ( 2.766 11.561 2.241) 12.096 3.342 ( 8.933 16.232 1.228) 18.568 3.497 ( 3.924 -1.399 1.327) 4.372 4.063 ( -6.240 -5.304 -3.589) 8.941 4.299 ( 8.652 -0.497 4.757) 9.886 4.906 ( 3.606 -10.241 1.125) 10.916 5.738 ( 12.135 16.930 -0.161) 20.830 5.831 ( 6.834 22.218 1.082) 23.271 7.765 ( 20.603 -27.434 -0.706) 34.316 8.008 ( 18.484 -30.812 1.299) 35.954 9.222 ( -16.068 28.171 1.051) 32.448 9.467 ( -16.166 14.939 -0.874) 22.029 10.355 ( 5.093 0.346 -0.929) 5.188 10.422 ( 3.957 -0.027 0.854) 4.049 11.866 ( -17.577 -11.487 -0.338) 21.000 11.974 ( -17.193 -15.198 -1.331) 22.986 16.091 ( 4.717 0.682 -0.008) 4.766 16.112 ( 5.538 -0.699 -0.176) 5.584 17.349 ( -1.396 5.148 1.990) 5.693 17.481 ( 1.042 -1.622 1.449) 2.412 17.790 ( -4.842 3.105 -0.970) 5.833 17.959 ( -3.641 -5.855 -1.918) 7.156 19.136 ( 3.999 1.976 0.149) 4.463 19.157 ( 5.724 2.069 0.586) 6.115 28.025 ( 0.919 -0.118 -3.136) 3.270 28.237 ( 1.294 0.534 3.847) 4.094 30.223 ( -8.660 -0.591 -5.588) 10.324 30.716 ( -4.640 -2.525 10.692) 11.925 31.066 ( -0.195 4.043 -2.915) 4.988 31.352 ( 1.699 -3.015 3.637) 5.020 32.009 ( 7.940 5.117 -8.447) 12.672 32.394 ( 11.238 -0.750 1.996) 11.439 ======================= Grid point 534 (210/343) ======================= q-point: (-0.31 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 4.934 -1.299 -0.994) 5.198 1.349 ( 3.442 0.011 0.944) 3.570 1.779 ( 0.546 2.521 -0.214) 2.588 1.910 ( -2.061 2.494 2.123) 3.870 2.411 ( 2.532 3.594 -5.172) 6.788 2.622 ( -1.375 1.497 -3.331) 3.902 2.666 ( 0.510 -1.373 -1.159) 1.868 2.992 ( -0.360 3.909 -0.786) 4.004 3.020 ( 5.119 -1.128 2.990) 6.035 3.092 ( 2.207 -1.674 1.457) 3.130 3.314 ( 4.018 6.897 0.109) 7.983 3.375 ( 1.483 6.287 1.201) 6.570 3.486 ( 1.176 9.526 4.673) 10.676 3.983 ( 4.355 -18.609 8.594) 20.955 4.283 ( 0.821 12.315 -6.508) 13.953 4.699 ( 10.986 -11.619 1.738) 16.085 5.601 ( 11.019 6.852 -3.450) 13.426 5.845 ( 5.335 9.593 0.383) 10.984 7.246 ( 18.369 -16.073 -3.443) 24.650 7.551 ( 14.991 -16.248 3.708) 22.416 9.639 ( -12.898 14.368 -0.884) 19.328 9.816 ( -14.225 6.901 1.440) 15.876 10.286 ( 1.917 0.029 -1.185) 2.254 10.384 ( 0.867 0.171 1.378) 1.637 12.142 ( -18.758 -2.945 -1.033) 19.016 12.210 ( -18.679 -5.900 -0.500) 19.595 16.001 ( 5.466 -0.433 -0.396) 5.498 16.029 ( 3.268 -0.501 0.291) 3.319 17.401 ( 0.071 2.887 0.445) 2.922 17.475 ( -0.559 -0.293 1.894) 1.996 17.860 ( -2.156 1.550 -2.040) 3.349 17.983 ( -3.329 -3.196 0.357) 4.628 19.062 ( 5.823 0.524 -0.043) 5.847 19.074 ( 4.140 0.531 0.214) 4.179 28.003 ( -0.298 -0.080 -2.630) 2.648 28.223 ( 2.511 0.018 2.934) 3.862 30.341 ( -7.090 0.260 -3.002) 7.704 30.771 ( 3.305 -1.330 8.933) 9.617 31.080 ( -0.751 1.742 -3.475) 3.960 31.343 ( -1.551 -1.773 3.057) 3.859 31.912 ( 2.408 3.980 -6.662) 8.125 32.208 ( 9.421 -2.427 1.181) 9.800 ======================= Grid point 535 (211/343) ======================= q-point: (-0.23 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -0.446 0.000 0.058) 0.449 1.303 ( 2.686 0.000 1.932) 3.309 1.780 ( 0.298 0.000 0.553) 0.629 1.957 ( -0.057 0.000 3.028) 3.028 2.279 ( 11.715 -0.000 -3.369) 12.190 2.602 ( 5.897 0.000 2.422) 6.375 2.709 ( -6.265 -0.000 0.003) 6.265 2.880 ( 8.786 0.000 1.847) 8.978 3.037 ( -3.350 -0.000 -0.206) 3.356 3.094 ( -1.192 0.000 0.344) 1.241 3.316 ( -2.063 -0.000 -1.410) 2.499 3.377 ( 0.182 0.000 0.780) 0.801 3.567 ( -0.381 0.000 6.740) 6.750 3.831 ( 8.615 0.000 8.455) 12.071 4.277 ( 1.926 -0.000 -6.862) 7.127 4.421 ( 14.814 0.000 2.618) 15.044 5.434 ( 7.017 -0.000 -6.069) 9.277 5.777 ( 5.748 -0.000 -1.236) 5.879 6.881 ( 13.725 -0.000 -4.089) 14.321 7.280 ( 12.045 0.000 4.071) 12.714 9.872 ( -9.239 -0.000 -1.830) 9.419 10.062 ( -8.572 0.000 1.990) 8.800 10.298 ( -4.599 -0.000 -0.750) 4.660 10.410 ( -2.766 0.000 1.584) 3.187 12.452 ( -17.800 -0.000 -1.299) 17.848 12.535 ( -19.200 -0.000 0.448) 19.206 15.902 ( 4.880 -0.000 -0.857) 4.954 15.983 ( 2.028 0.000 0.754) 2.164 17.402 ( 0.074 -0.000 -1.209) 1.211 17.501 ( -0.638 0.000 1.484) 1.615 17.882 ( -1.152 -0.000 -1.663) 2.023 18.025 ( -1.673 0.000 1.795) 2.454 18.964 ( 4.987 -0.000 -0.653) 5.030 19.002 ( 4.081 0.000 -0.061) 4.081 28.010 ( -1.868 -0.000 -1.710) 2.532 28.181 ( 3.527 0.000 1.709) 3.919 30.438 ( -4.488 -0.000 -0.207) 4.492 30.687 ( 8.630 0.000 5.186) 10.069 31.080 ( -1.080 -0.000 -4.639) 4.763 31.424 ( -6.120 0.000 2.735) 6.703 31.887 ( 0.223 -0.000 -3.196) 3.204 32.047 ( 7.705 0.000 0.698) 7.736 ======================= Grid point 542 (212/343) ======================= q-point: ( 0.31 0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 16.420 5.029) 17.173 1.001 ( 0.000 20.742 4.989) 21.334 1.639 ( 0.000 4.367 -0.570) 4.404 1.667 ( -0.000 -3.629 0.300) 3.641 2.157 ( -0.000 -13.342 2.259) 13.532 2.729 ( 0.000 -7.731 13.563) 15.612 2.770 ( 0.000 1.013 0.928) 1.374 2.832 ( -0.000 -6.421 -0.030) 6.421 3.043 ( -0.000 -1.470 0.627) 1.598 3.142 ( -0.000 -6.853 2.741) 7.381 3.278 ( -0.000 -5.676 -0.236) 5.681 3.822 ( 0.000 12.076 -0.236) 12.078 3.875 ( 0.000 15.909 -2.336) 16.080 4.042 ( 0.000 4.920 4.540) 6.695 4.157 ( 0.000 75.584 1.823) 75.606 4.474 ( 0.000 40.597 -5.141) 40.921 4.585 ( 0.000 12.609 2.720) 12.899 5.275 ( -0.000 -4.213 -2.948) 5.142 7.249 ( 0.000 20.910 1.079) 20.937 7.421 ( 0.000 24.477 -0.387) 24.480 10.027 ( -0.000 -15.604 0.412) 15.609 10.201 ( -0.000 -15.894 -0.361) 15.898 10.823 ( 0.000 0.211 0.095) 0.231 10.844 ( 0.000 0.169 -0.074) 0.184 12.338 ( -0.000 -49.554 -0.019) 49.554 12.548 ( -0.000 -48.774 -0.703) 48.779 16.274 ( 0.000 17.466 -1.014) 17.495 16.396 ( 0.000 10.958 -0.879) 10.993 17.281 ( -0.000 -12.210 -0.327) 12.215 17.296 ( -0.000 -11.040 -0.147) 11.041 17.607 ( 0.000 1.108 -0.660) 1.290 17.615 ( -0.000 -0.091 -3.188) 3.190 19.057 ( 0.000 11.076 5.649) 12.433 19.197 ( 0.000 9.181 0.904) 9.225 27.977 ( 0.000 4.112 0.813) 4.191 28.336 ( -0.000 -1.463 -1.292) 1.952 29.923 ( -0.000 -2.951 0.986) 3.112 29.967 ( -0.000 -7.269 4.367) 8.480 30.835 ( 0.000 11.049 -4.067) 11.774 31.596 ( -0.000 -4.473 -6.617) 7.987 32.452 ( 0.000 15.501 5.062) 16.306 33.717 ( -0.000 -2.394 -11.587) 11.831 ======================= Grid point 543 (213/343) ======================= q-point: ( 0.38 0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -9.775 15.825 3.128) 18.862 1.255 ( -8.414 16.778 5.290) 19.500 1.632 ( 2.196 0.339 0.547) 2.288 1.680 ( -1.405 3.575 -0.611) 3.889 2.154 ( -6.732 -11.441 1.583) 13.369 2.718 ( 1.914 -5.693 6.154) 8.600 2.772 ( 0.764 -3.570 1.427) 3.920 2.786 ( 0.403 -4.187 5.802) 7.166 3.038 ( -0.785 -1.820 0.838) 2.152 3.102 ( 0.222 -5.931 -0.128) 5.937 3.235 ( 0.507 -4.702 0.359) 4.743 3.817 ( 4.513 4.526 -0.477) 6.409 3.921 ( 1.437 6.736 -3.653) 7.796 4.210 ( -8.377 -9.180 3.592) 12.936 4.330 ( 8.253 20.576 -1.114) 22.198 4.853 ( -3.848 62.903 -0.844) 63.026 4.930 ( 1.809 49.253 2.389) 49.344 5.257 ( -2.200 7.054 -2.875) 7.929 7.470 ( -6.690 24.369 0.575) 25.278 7.598 ( -0.764 26.043 -0.074) 26.054 9.848 ( 7.013 -19.815 0.736) 21.032 10.039 ( 4.442 -19.046 -0.770) 19.572 10.796 ( 3.333 0.119 0.089) 3.336 10.813 ( 3.366 -0.095 -0.108) 3.369 12.005 ( -3.047 -48.184 0.403) 48.282 12.189 ( -0.628 -50.408 -0.816) 50.418 16.340 ( 4.527 14.226 -0.947) 14.959 16.435 ( 3.245 9.002 -0.911) 9.613 17.199 ( 1.036 -6.513 -0.155) 6.597 17.254 ( -5.350 -9.287 0.094) 10.718 17.593 ( 0.688 1.044 -1.671) 2.087 17.695 ( -7.979 -2.567 -1.839) 8.581 19.150 ( 1.006 9.509 4.706) 10.657 19.253 ( 1.257 8.133 1.219) 8.319 28.017 ( -0.594 4.094 1.041) 4.266 28.303 ( 1.487 -1.448 -1.481) 2.550 29.898 ( -1.352 -4.852 -1.686) 5.312 30.057 ( -9.867 -6.487 7.452) 13.964 30.889 ( -0.342 10.404 -5.655) 11.846 31.514 ( 0.590 -4.677 -8.465) 9.689 32.551 ( 5.373 15.855 6.563) 17.981 33.463 ( 18.319 2.825 -7.470) 19.984 ======================= Grid point 544 (214/343) ======================= q-point: ( 0.46 0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -8.984 13.943 -0.391) 16.591 1.492 ( -4.290 3.859 3.050) 6.527 1.643 ( -0.166 11.636 1.184) 11.698 1.721 ( -1.130 2.257 -0.839) 2.660 2.223 ( -7.973 -7.377 -0.100) 10.862 2.652 ( 2.609 -4.065 -0.659) 4.874 2.720 ( 1.629 -3.936 0.366) 4.275 2.836 ( -2.361 1.191 8.169) 8.586 3.050 ( 1.410 -1.299 -3.374) 3.880 3.058 ( -1.867 -1.277 1.621) 2.783 3.202 ( 0.336 -3.544 1.583) 3.896 3.749 ( 6.696 4.414 -0.059) 8.021 3.897 ( 2.659 3.241 -4.785) 6.362 4.029 ( 9.550 -9.426 -4.765) 14.239 4.556 ( -12.134 2.865 3.762) 13.023 4.935 ( 11.983 16.026 2.109) 20.122 5.407 ( -2.198 54.713 0.783) 54.763 5.457 ( 2.207 38.787 -0.175) 38.850 7.812 ( -7.511 30.629 -0.943) 31.551 7.879 ( -11.284 28.981 1.499) 31.137 9.492 ( 14.671 -27.440 1.437) 31.149 9.748 ( 10.263 -25.476 -1.551) 27.510 10.710 ( 6.301 0.159 -0.024) 6.303 10.729 ( 5.601 -0.363 -0.117) 5.614 11.795 ( -8.933 -41.257 -0.368) 42.215 11.884 ( -4.859 -45.416 -0.179) 45.676 16.318 ( 6.223 8.815 -0.737) 10.815 16.401 ( 5.601 5.329 -0.449) 7.744 17.177 ( -1.323 -1.460 0.796) 2.125 17.340 ( -9.107 -3.855 -0.375) 9.897 17.576 ( 1.046 0.137 -0.406) 1.130 17.803 ( -7.697 -4.151 -2.209) 9.020 19.202 ( 2.186 7.569 2.655) 8.314 19.280 ( 2.615 7.140 1.490) 7.748 28.059 ( -0.395 3.210 0.560) 3.283 28.259 ( 1.634 -0.764 -0.478) 1.866 29.899 ( -4.436 -4.515 -4.384) 7.700 30.253 ( -11.797 -6.638 9.627) 16.610 30.935 ( -0.600 9.073 -6.009) 10.899 31.437 ( -0.456 -4.225 -7.126) 8.296 32.539 ( 11.603 13.762 4.864) 18.646 33.124 ( 19.280 5.473 -2.499) 20.197 ======================= Grid point 545 (215/343) ======================= q-point: ( 0.54 0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -1.523 8.556 -1.456) 8.812 1.541 ( 0.390 2.448 2.028) 3.203 1.726 ( 0.604 5.239 -2.278) 5.745 1.761 ( -1.043 5.558 0.718) 5.700 2.321 ( -8.176 -3.720 -5.249) 10.404 2.582 ( 1.998 -1.451 -0.581) 2.537 2.676 ( 0.828 -1.990 -0.045) 2.156 2.919 ( -0.869 -0.557 2.038) 2.285 3.033 ( -0.024 7.831 -3.059) 8.408 3.106 ( -2.189 1.537 2.812) 3.881 3.198 ( -0.683 0.910 2.482) 2.731 3.634 ( 10.774 5.429 -0.287) 12.068 3.745 ( 6.375 -10.082 -5.022) 12.943 3.885 ( 1.760 3.932 -4.378) 6.143 4.683 ( -1.387 -12.188 0.193) 12.268 4.899 ( 2.380 11.729 6.848) 13.789 5.647 ( 7.058 37.583 1.186) 38.258 5.720 ( 6.199 41.973 0.883) 42.438 8.207 ( -11.868 34.250 1.240) 36.269 8.354 ( -15.250 29.488 0.117) 33.198 8.975 ( 19.467 -33.422 2.021) 38.731 9.304 ( 14.272 -31.565 -2.797) 34.755 10.586 ( 7.506 0.459 -0.212) 7.523 10.618 ( 6.308 -0.192 -0.035) 6.311 11.695 ( -10.850 -35.260 -1.139) 36.909 11.763 ( -12.537 -32.681 0.099) 35.004 16.250 ( 6.002 4.368 -0.639) 7.451 16.320 ( 6.269 2.374 -0.034) 6.703 17.221 ( -2.150 2.462 1.785) 3.724 17.491 ( -8.062 2.353 -1.407) 8.516 17.556 ( -0.035 -3.007 1.678) 3.443 17.878 ( -5.926 -5.190 -2.882) 8.388 19.210 ( 3.090 5.381 0.957) 6.278 19.276 ( 4.003 5.999 1.530) 7.372 28.068 ( 1.087 1.239 -1.434) 2.185 28.244 ( 0.393 0.735 2.183) 2.337 29.946 ( -7.191 -3.553 -5.988) 10.009 30.469 ( -10.971 -5.289 10.840) 16.304 30.977 ( -0.777 7.202 -4.957) 8.778 31.400 ( -1.671 -3.463 -3.708) 5.342 32.383 ( 16.220 9.577 -0.394) 18.840 32.845 ( 16.061 5.019 1.068) 16.860 ======================= Grid point 546 (216/343) ======================= q-point: ( 0.62 0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 2.481 5.029 -0.854) 5.672 1.512 ( 4.812 -1.684 0.915) 5.180 1.732 ( 1.344 7.125 -2.770) 7.762 1.807 ( -0.679 3.629 0.652) 3.749 2.351 ( -4.223 -5.108 -13.209) 14.778 2.577 ( -1.718 -0.926 0.139) 1.957 2.663 ( -0.464 -0.686 -0.727) 1.103 2.917 ( 2.825 9.144 -0.892) 9.612 3.061 ( -0.853 -1.256 -0.281) 1.544 3.170 ( -0.234 5.995 3.949) 7.182 3.285 ( -0.968 9.439 2.833) 9.903 3.456 ( 11.285 5.007 -0.181) 12.347 3.593 ( 4.671 -3.292 -0.733) 5.762 3.902 ( -3.878 4.288 -6.810) 8.933 4.541 ( 5.847 -13.666 4.513) 15.534 4.975 ( 0.327 2.010 3.382) 3.948 5.765 ( 6.913 28.483 1.874) 29.369 5.812 ( 12.225 30.690 0.787) 33.045 8.367 ( 21.253 -33.929 1.722) 40.073 8.534 ( 12.248 -20.867 0.526) 24.202 8.722 ( -14.963 33.614 1.828) 36.840 9.060 ( -11.652 11.102 -3.436) 16.457 10.457 ( 6.989 0.493 -0.515) 7.025 10.511 ( 5.639 0.092 0.285) 5.647 11.704 ( -14.620 -24.069 -0.285) 28.163 11.813 ( -15.481 -23.637 -1.251) 28.284 16.169 ( 5.170 1.770 -0.410) 5.480 16.219 ( 6.227 0.524 0.035) 6.249 17.296 ( -1.905 4.807 2.563) 5.771 17.522 ( 2.049 0.887 0.722) 2.347 17.658 ( -8.172 -0.152 0.200) 8.176 17.913 ( -4.610 -5.899 -3.354) 8.204 19.184 ( 3.583 3.463 0.283) 4.991 19.238 ( 5.287 4.231 1.128) 6.865 28.034 ( 1.655 0.050 -2.486) 2.987 28.265 ( 0.320 1.181 3.505) 3.713 30.040 ( -9.153 -2.225 -5.858) 11.093 30.672 ( -8.699 -3.512 10.964) 14.430 31.012 ( -0.698 5.178 -3.421) 6.245 31.400 ( -1.177 -2.607 0.791) 2.968 32.131 ( 15.052 5.608 -6.280) 17.247 32.621 ( 13.874 3.074 2.142) 14.371 ======================= Grid point 547 (217/343) ======================= q-point: ( 0.69 0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 7.214 -2.710 -0.718) 7.740 1.407 ( 3.546 1.794 -0.349) 3.989 1.758 ( 0.617 6.533 -0.444) 6.577 1.858 ( -1.967 3.219 0.924) 3.884 2.323 ( -4.608 -1.941 -11.806) 12.822 2.586 ( -0.763 -1.471 -2.829) 3.279 2.666 ( -0.465 0.054 -0.900) 1.015 2.949 ( 1.483 9.650 -0.158) 9.764 3.061 ( -0.367 -1.784 1.122) 2.139 3.209 ( 3.067 -2.371 3.942) 5.528 3.339 ( 4.292 14.539 2.508) 15.366 3.354 ( 6.860 12.028 1.119) 13.892 3.514 ( 2.821 -0.011 2.080) 3.505 3.999 ( -6.908 3.931 -7.906) 11.210 4.360 ( 6.313 -13.944 6.128) 16.488 4.923 ( 6.586 -3.621 2.066) 7.794 5.740 ( 13.474 15.390 0.496) 20.461 5.839 ( 6.674 22.131 0.243) 23.117 7.757 ( 21.754 -28.956 -0.747) 36.225 8.023 ( 17.514 -29.680 1.350) 34.489 9.234 ( -15.685 26.905 1.241) 31.168 9.457 ( -16.776 16.736 -1.057) 23.720 10.346 ( 5.229 0.154 -0.804) 5.293 10.430 ( 3.711 0.210 0.731) 3.788 11.863 ( -17.671 -12.350 -0.278) 21.561 11.959 ( -17.252 -14.772 -1.487) 22.761 16.091 ( 4.391 0.486 -0.003) 4.418 16.110 ( 5.757 -0.572 -0.188) 5.788 17.373 ( -0.777 5.263 2.365) 5.822 17.496 ( 1.381 -0.355 1.411) 2.007 17.779 ( -4.844 1.349 -0.996) 5.126 17.937 ( -4.699 -5.378 -2.196) 7.472 19.138 ( 3.901 1.828 0.216) 4.313 19.163 ( 6.118 2.154 0.549) 6.510 27.996 ( 0.904 -0.240 -2.447) 2.620 28.274 ( 1.564 0.674 3.190) 3.616 30.171 ( -9.647 -0.856 -4.222) 10.565 30.828 ( -4.147 -2.133 10.273) 11.282 31.037 ( -0.448 3.365 -2.592) 4.271 31.393 ( 1.937 -2.055 4.193) 5.055 31.913 ( 7.195 3.683 -9.794) 12.699 32.413 ( 12.049 0.363 1.496) 12.147 ======================= Grid point 548 (218/343) ======================= q-point: (-0.23 0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 4.470 -1.722 -0.794) 4.856 1.356 ( 2.885 0.377 0.550) 2.962 1.780 ( 0.452 2.428 0.340) 2.493 1.930 ( -2.617 2.805 1.584) 4.151 2.361 ( -0.753 3.438 -4.322) 5.573 2.581 ( -4.027 -1.097 -3.635) 5.535 2.664 ( 1.146 0.926 0.074) 1.475 2.986 ( 0.121 4.911 -0.320) 4.923 3.048 ( 3.985 -1.270 2.458) 4.851 3.104 ( 3.867 -2.080 0.930) 4.488 3.314 ( 5.148 7.787 -0.103) 9.336 3.386 ( 1.610 4.517 0.854) 4.871 3.548 ( -0.384 8.609 7.131) 11.186 4.044 ( 0.946 -8.110 1.544) 8.310 4.222 ( 2.129 -0.819 -3.718) 4.362 4.724 ( 12.754 -6.206 2.937) 14.484 5.572 ( 12.734 5.875 -2.096) 14.180 5.842 ( 5.917 9.974 -0.953) 11.636 7.213 ( 18.952 -17.131 -2.713) 25.690 7.587 ( 14.494 -15.362 2.925) 21.322 9.631 ( -12.360 12.890 -0.734) 17.873 9.831 ( -14.725 8.561 1.258) 17.079 10.275 ( 1.985 -0.046 -0.909) 2.184 10.397 ( 0.626 0.289 1.102) 1.300 12.131 ( -18.718 -4.023 -0.965) 19.170 12.205 ( -19.113 -5.066 -0.481) 19.779 15.997 ( 5.750 -0.494 -0.312) 5.780 16.032 ( 2.957 -0.446 0.214) 2.999 17.405 ( 1.092 2.229 0.337) 2.505 17.497 ( -0.234 0.855 2.064) 2.246 17.838 ( -2.494 0.307 -2.135) 3.297 17.987 ( -4.263 -2.401 0.349) 4.905 19.062 ( 6.206 0.509 -0.016) 6.227 19.076 ( 4.169 0.531 0.166) 4.206 27.978 ( -0.555 -0.200 -1.962) 2.049 28.250 ( 3.010 0.143 2.241) 3.756 30.315 ( -8.369 0.121 -1.946) 8.593 30.862 ( 5.203 -1.072 8.140) 9.720 31.047 ( -0.208 1.462 -2.787) 3.154 31.373 ( -0.753 -1.403 2.713) 3.146 31.840 ( -0.387 3.136 -6.833) 7.528 32.218 ( 9.925 -1.759 0.754) 10.108 ======================= Grid point 549 (219/343) ======================= q-point: (-0.15 0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -1.071 -0.000 0.010) 1.071 1.320 ( 2.066 0.000 1.246) 2.413 1.789 ( -0.138 0.000 0.936) 0.947 1.984 ( -0.614 0.000 2.130) 2.216 2.249 ( 12.001 -0.000 -2.312) 12.222 2.622 ( 4.733 0.000 1.389) 4.933 2.711 ( -8.717 -0.000 0.340) 8.723 2.897 ( 9.483 0.000 1.374) 9.582 3.036 ( -3.429 -0.000 0.033) 3.429 3.097 ( -0.926 0.000 0.122) 0.934 3.300 ( -1.336 -0.000 -1.420) 1.950 3.383 ( 0.181 0.000 0.388) 0.428 3.653 ( -1.068 0.000 9.254) 9.316 3.908 ( 10.049 0.000 5.872) 11.639 4.193 ( -0.872 -0.000 -8.963) 9.005 4.455 ( 15.585 0.000 3.610) 15.998 5.380 ( 8.638 -0.000 -4.190) 9.601 5.759 ( 6.283 -0.000 -2.067) 6.614 6.844 ( 13.908 -0.000 -2.891) 14.205 7.316 ( 12.005 0.000 2.850) 12.339 9.855 ( -9.139 -0.000 -1.275) 9.228 10.080 ( -8.060 0.000 1.359) 8.174 10.291 ( -5.226 -0.000 -0.437) 5.244 10.425 ( -2.842 0.000 1.194) 3.082 12.440 ( -17.894 -0.000 -0.979) 17.921 12.539 ( -19.539 -0.000 0.268) 19.541 15.895 ( 5.135 -0.000 -0.600) 5.170 15.990 ( 1.788 0.000 0.516) 1.861 17.390 ( 0.699 -0.000 -0.963) 1.190 17.516 ( -0.023 0.000 1.238) 1.238 17.866 ( -1.711 -0.000 -1.312) 2.156 18.042 ( -2.142 0.000 1.375) 2.545 18.958 ( 5.294 -0.000 -0.473) 5.315 19.001 ( 4.365 0.000 -0.144) 4.367 27.994 ( -2.308 -0.000 -1.185) 2.594 28.196 ( 4.064 0.000 1.186) 4.234 30.439 ( -5.774 -0.000 0.216) 5.778 30.737 ( 10.464 0.000 4.155) 11.259 31.037 ( -0.070 -0.000 -3.508) 3.509 31.449 ( -6.272 0.000 1.884) 6.549 31.855 ( -1.597 -0.000 -2.676) 3.117 32.052 ( 7.829 0.000 0.414) 7.840 ======================= Grid point 556 (220/343) ======================= q-point: ( 0.38 0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 15.244 9.483) 17.952 1.073 ( 0.000 19.284 8.329) 21.006 1.630 ( 0.000 4.992 -1.156) 5.125 1.669 ( -0.000 -2.914 0.000) 2.914 2.193 ( -0.000 -11.870 4.567) 12.718 2.775 ( 0.000 0.418 0.697) 0.813 2.831 ( -0.000 -6.466 -0.100) 6.467 2.864 ( 0.000 -0.794 7.814) 7.854 3.053 ( -0.000 -2.014 1.235) 2.362 3.224 ( -0.000 -18.930 14.524) 23.860 3.274 ( -0.000 -5.697 -0.570) 5.726 3.818 ( 0.000 8.843 -0.707) 8.871 3.845 ( 0.000 13.749 -3.014) 14.076 4.105 ( 0.000 7.350 7.236) 10.314 4.186 ( 0.000 76.181 3.606) 76.266 4.412 ( 0.000 26.811 -6.369) 27.557 4.610 ( 0.000 24.721 1.829) 24.789 5.229 ( -0.000 -3.559 -5.749) 6.761 7.264 ( 0.000 20.583 1.773) 20.660 7.415 ( 0.000 24.208 -0.742) 24.219 10.033 ( -0.000 -15.608 0.821) 15.630 10.195 ( -0.000 -15.986 -0.832) 16.008 10.825 ( 0.000 0.189 0.174) 0.257 10.843 ( 0.000 0.181 -0.120) 0.217 12.339 ( -0.000 -48.841 0.314) 48.842 12.537 ( -0.000 -48.636 -1.371) 48.656 16.261 ( 0.000 17.426 -1.300) 17.474 16.382 ( 0.000 11.206 -1.635) 11.325 17.276 ( -0.000 -11.982 -0.508) 11.993 17.294 ( -0.000 -11.036 -0.287) 11.040 17.576 ( -0.000 1.889 -3.806) 4.249 17.597 ( -0.000 1.131 -1.226) 1.668 19.130 ( 0.000 8.477 7.552) 11.353 19.210 ( 0.000 9.099 1.654) 9.248 27.989 ( 0.000 3.877 1.605) 4.196 28.317 ( -0.000 -1.208 -2.447) 2.729 29.938 ( -0.000 -2.779 1.989) 3.417 30.031 ( -0.000 -9.296 7.433) 11.902 30.777 ( 0.000 10.521 -6.664) 12.454 31.501 ( -0.000 -5.517 -11.024) 12.327 32.523 ( 0.000 16.579 7.992) 18.405 33.561 ( -0.000 6.282 -16.831) 17.965 ======================= Grid point 557 (221/343) ======================= q-point: ( 0.46 0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -6.250 15.132 6.423) 17.587 1.320 ( -7.626 14.590 6.718) 17.781 1.638 ( 2.492 1.825 0.466) 3.124 1.672 ( -1.189 4.353 -0.826) 4.588 2.187 ( -4.338 -9.718 4.809) 11.679 2.737 ( 3.060 -4.317 -0.038) 5.292 2.779 ( 0.876 -4.986 0.436) 5.081 2.875 ( 2.817 3.639 5.541) 7.203 3.050 ( -0.827 -1.873 1.438) 2.502 3.127 ( 2.270 -13.738 5.609) 15.011 3.245 ( -0.566 -6.348 2.245) 6.758 3.811 ( 3.820 3.978 -0.750) 5.566 3.878 ( 1.473 5.867 -4.347) 7.449 4.221 ( 4.226 -11.324 -2.631) 12.369 4.346 ( -4.618 16.365 5.058) 17.741 4.851 ( -1.859 67.435 0.437) 67.462 4.952 ( -0.086 44.425 1.638) 44.456 5.219 ( -3.045 11.079 -4.370) 12.293 7.477 ( -5.563 24.417 0.699) 25.052 7.597 ( -1.865 25.602 -0.080) 25.670 9.858 ( 6.826 -19.767 1.206) 20.947 10.028 ( 4.599 -19.186 -1.309) 19.773 10.797 ( 3.389 0.102 0.131) 3.393 10.812 ( 3.395 -0.031 -0.142) 3.398 12.011 ( -2.841 -48.036 0.806) 48.127 12.178 ( -0.816 -50.099 -1.306) 50.123 16.329 ( 4.169 13.916 -0.997) 14.561 16.423 ( 2.992 9.403 -1.360) 9.961 17.197 ( 0.437 -6.267 -0.135) 6.283 17.255 ( -5.155 -9.587 0.097) 10.885 17.571 ( 0.002 1.615 -2.325) 2.831 17.675 ( -7.492 -1.763 -1.859) 7.918 19.205 ( 1.875 7.730 5.309) 9.564 19.269 ( 1.313 8.132 1.827) 8.437 28.031 ( -0.512 3.721 1.625) 4.092 28.283 ( 1.115 -1.038 -2.267) 2.731 29.887 ( 0.991 -4.842 -0.345) 4.954 30.145 ( -11.228 -7.430 9.000) 16.195 30.818 ( -0.797 9.749 -7.361) 12.242 31.405 ( -0.887 -5.307 -11.807) 12.975 32.632 ( 6.428 16.327 8.476) 19.486 33.373 ( 15.608 7.711 -9.275) 19.726 ======================= Grid point 558 (222/343) ======================= q-point: ( 0.54 0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -6.693 13.515 1.302) 15.138 1.521 ( -3.223 1.851 2.122) 4.280 1.657 ( 0.214 12.204 1.368) 12.282 1.714 ( -0.680 3.374 -0.493) 3.477 2.237 ( -5.175 -7.087 2.839) 9.223 2.645 ( 3.238 -3.658 -0.563) 4.918 2.722 ( 1.622 -4.384 0.008) 4.674 2.906 ( 0.959 8.971 3.711) 9.755 3.014 ( 2.353 -5.755 -2.491) 6.698 3.085 ( -2.063 -1.947 3.678) 4.645 3.224 ( 0.017 -4.243 2.496) 4.922 3.748 ( 6.125 3.573 -0.131) 7.093 3.841 ( 3.016 1.288 -5.711) 6.586 3.970 ( 9.025 -8.322 -6.117) 13.715 4.600 ( -11.238 -1.688 4.394) 12.184 4.958 ( 10.019 18.205 2.195) 20.895 5.416 ( -3.174 51.908 0.827) 52.011 5.455 ( 2.358 42.309 -0.164) 42.375 7.803 ( -8.287 30.965 -0.746) 32.063 7.894 ( -10.726 28.592 1.394) 30.570 9.511 ( 14.363 -27.360 2.081) 30.971 9.728 ( 10.615 -25.736 -2.240) 27.929 10.710 ( 6.380 0.105 -0.046) 6.381 10.728 ( 5.645 -0.203 -0.110) 5.650 11.791 ( -8.064 -41.953 -0.401) 42.723 11.882 ( -5.467 -44.609 -0.236) 44.943 16.310 ( 5.922 8.270 -0.750) 10.199 16.396 ( 5.382 5.833 -0.559) 7.956 17.187 ( -1.733 -1.080 1.083) 2.312 17.335 ( -8.768 -3.886 -0.616) 9.610 17.571 ( -0.130 0.123 -0.518) 0.548 17.779 ( -7.268 -3.890 -2.377) 8.579 19.231 ( 3.028 6.273 2.720) 7.478 19.298 ( 2.792 7.389 1.850) 8.113 28.065 ( 0.307 2.513 0.558) 2.593 28.254 ( 0.505 0.016 -0.494) 0.706 29.858 ( -2.877 -4.847 -3.392) 6.579 30.362 ( -12.284 -6.533 10.869) 17.655 30.868 ( -1.634 8.428 -6.580) 10.816 31.346 ( -3.035 -4.488 -9.921) 11.304 32.595 ( 14.121 13.160 5.556) 20.086 33.096 ( 17.443 8.364 -2.688) 19.530 ======================= Grid point 559 (223/343) ======================= q-point: ( 0.62 0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -1.232 8.974 -0.771) 9.091 1.556 ( 0.062 2.725 0.746) 2.826 1.695 ( 1.867 3.973 -3.490) 5.608 1.770 ( -0.490 6.443 0.953) 6.532 2.271 ( -3.785 -7.328 -3.903) 9.125 2.586 ( 1.213 -1.344 1.333) 2.248 2.674 ( 0.747 -2.500 -0.308) 2.627 2.921 ( 3.126 0.993 -2.074) 3.881 3.006 ( -1.634 9.722 -1.410) 9.959 3.144 ( -1.170 3.680 4.156) 5.673 3.227 ( -1.297 0.672 2.764) 3.126 3.624 ( 9.829 0.755 -1.883) 10.037 3.697 ( 4.333 -6.508 -3.540) 8.583 3.836 ( 2.541 3.255 -4.787) 6.322 4.687 ( -3.638 -15.504 0.481) 15.933 4.967 ( 4.530 15.823 6.000) 17.518 5.659 ( 7.834 40.678 0.963) 41.437 5.731 ( 4.180 37.457 1.217) 37.709 8.220 ( -12.651 34.648 1.274) 36.907 8.356 ( -14.994 29.902 0.164) 33.451 9.001 ( 19.456 -33.734 2.799) 39.043 9.270 ( 14.750 -32.167 -3.637) 35.574 10.584 ( 7.573 0.310 -0.234) 7.583 10.618 ( 6.303 0.051 -0.017) 6.303 11.683 ( -11.328 -34.901 -1.124) 36.711 11.764 ( -11.817 -33.129 0.032) 35.173 16.243 ( 5.736 3.928 -0.623) 6.980 16.319 ( 6.227 2.668 -0.038) 6.775 17.242 ( -2.401 3.013 2.265) 4.469 17.472 ( -6.326 3.294 -2.234) 7.474 17.579 ( -2.546 -4.180 2.454) 5.475 17.845 ( -5.559 -5.240 -3.323) 8.331 19.220 ( 3.508 4.638 1.031) 5.906 19.293 ( 4.296 6.210 1.477) 7.694 28.053 ( 1.846 0.714 -1.306) 2.372 28.267 ( -0.632 1.363 2.086) 2.571 29.889 ( -6.638 -3.946 -4.797) 9.091 30.587 ( -10.706 -4.771 11.446) 16.383 30.925 ( -2.028 6.637 -4.670) 8.365 31.347 ( -4.971 -3.403 -6.381) 8.775 32.381 ( 19.342 8.195 0.054) 21.007 32.857 ( 15.615 7.220 1.133) 17.241 ======================= Grid point 560 (224/343) ======================= q-point: ( 0.69 0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 2.428 5.375 -0.559) 5.924 1.519 ( 5.432 -3.370 0.541) 6.415 1.692 ( 0.154 9.910 -4.768) 10.998 1.813 ( -0.545 3.870 0.570) 3.950 2.225 ( -3.075 -9.051 -10.107) 13.911 2.581 ( -0.264 -1.735 0.697) 1.888 2.655 ( -0.441 -1.614 -0.927) 1.912 2.905 ( 2.508 11.228 -1.357) 11.585 3.061 ( -1.363 -0.518 0.229) 1.476 3.215 ( 0.906 10.354 4.539) 11.341 3.316 ( -1.114 8.763 2.768) 9.257 3.450 ( 8.644 1.405 -0.964) 8.811 3.589 ( 4.239 -1.391 0.109) 4.463 3.827 ( -2.456 4.094 -7.352) 8.766 4.582 ( 1.434 -18.965 3.109) 19.271 5.012 ( 4.557 8.735 3.505) 10.457 5.778 ( 8.286 32.603 0.584) 33.644 5.826 ( 10.409 24.637 1.785) 26.805 8.384 ( 22.100 -33.449 1.387) 40.115 8.541 ( 12.998 -23.213 0.777) 26.615 8.744 ( -15.376 32.781 2.479) 36.293 9.020 ( -12.869 13.847 -4.057) 19.334 10.452 ( 7.097 0.313 -0.444) 7.118 10.514 ( 5.501 0.330 0.234) 5.516 11.702 ( -14.999 -24.301 -0.218) 28.558 11.800 ( -15.012 -23.733 -1.219) 28.108 16.165 ( 4.875 1.492 -0.370) 5.112 16.219 ( 6.338 0.666 0.036) 6.373 17.326 ( -1.773 5.349 3.004) 6.386 17.521 ( 1.477 3.719 -0.877) 4.096 17.670 ( -7.819 -3.377 1.977) 8.744 17.874 ( -4.865 -5.900 -3.976) 8.619 19.188 ( 3.653 3.145 0.354) 4.833 19.249 ( 5.601 4.342 0.935) 7.148 28.011 ( 1.907 -0.078 -1.839) 2.651 28.298 ( 0.129 1.374 2.791) 3.113 29.986 ( -9.468 -2.489 -4.356) 10.715 30.785 ( -8.105 -3.060 10.334) 13.486 30.979 ( -1.574 4.657 -2.829) 5.672 31.399 ( -4.811 -2.022 -0.954) 5.305 32.068 ( 18.080 4.247 -5.382) 19.336 32.641 ( 14.432 4.366 1.648) 15.167 ======================= Grid point 561 (225/343) ======================= q-point: ( 0.77 0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 7.250 -3.724 -0.817) 8.191 1.404 ( 3.308 2.377 -0.236) 4.080 1.753 ( -0.150 8.140 -0.576) 8.162 1.866 ( -2.166 3.556 0.652) 4.214 2.210 ( -7.965 -4.484 -9.245) 13.001 2.562 ( 0.787 -1.145 -1.665) 2.168 2.657 ( -0.780 0.137 -0.707) 1.062 2.948 ( 1.427 9.719 -0.046) 9.823 3.072 ( -0.710 -1.605 1.022) 2.031 3.247 ( 4.381 -3.519 3.068) 6.403 3.354 ( 9.055 18.785 0.556) 20.861 3.374 ( 1.900 7.795 2.369) 8.366 3.545 ( 0.818 1.241 3.949) 4.220 3.905 ( -5.953 7.525 -9.686) 13.634 4.417 ( 3.062 -21.546 4.551) 22.233 4.948 ( 9.226 2.808 2.479) 9.957 5.747 ( 14.081 13.699 0.878) 19.665 5.837 ( 7.168 22.274 -0.465) 23.403 7.750 ( 22.711 -30.223 -0.621) 37.810 8.036 ( 16.738 -28.780 1.098) 33.312 9.247 ( -15.187 25.404 1.164) 29.620 9.445 ( -17.489 18.741 -1.014) 25.654 10.339 ( 5.330 0.038 -0.585) 5.362 10.437 ( 3.505 0.367 0.531) 3.564 11.861 ( -17.763 -13.314 -0.139) 22.199 11.944 ( -17.302 -14.224 -1.320) 22.438 16.091 ( 4.020 0.280 0.004) 4.030 16.108 ( 6.033 -0.429 -0.158) 6.050 17.398 ( 0.088 5.230 2.266) 5.701 17.509 ( 1.373 1.496 0.955) 2.244 17.770 ( -4.421 -1.084 -0.736) 4.611 17.914 ( -6.075 -4.671 -2.002) 7.920 19.140 ( 3.867 1.724 0.207) 4.239 19.168 ( 6.426 2.203 0.416) 6.806 27.974 ( 0.909 -0.322 -1.674) 1.932 28.303 ( 1.799 0.774 2.279) 3.005 30.134 ( -10.436 -0.965 -2.795) 10.847 30.928 ( -3.789 -1.965 8.448) 9.465 31.013 ( -0.616 2.952 -1.904) 3.567 31.442 ( 1.650 -1.154 5.130) 5.511 31.806 ( 7.067 2.528 -10.359) 12.792 32.426 ( 12.646 1.052 0.958) 12.725 ======================= Grid point 562 (226/343) ======================= q-point: (-0.15 0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 4.088 -1.972 -0.528) 4.570 1.361 ( 2.499 0.560 0.245) 2.572 1.785 ( 0.322 2.450 0.477) 2.517 1.943 ( -2.995 3.001 0.955) 4.346 2.323 ( -3.908 3.399 -2.858) 5.915 2.550 ( -4.591 -1.606 -2.249) 5.358 2.664 ( 0.740 1.172 -0.082) 1.389 2.984 ( 0.497 5.724 -0.036) 5.745 3.071 ( 2.440 -1.291 1.889) 3.345 3.111 ( 5.828 -2.468 0.288) 6.336 3.312 ( 5.861 7.964 -0.116) 9.889 3.393 ( 1.854 3.625 0.400) 4.092 3.635 ( -2.124 7.341 9.214) 11.971 4.000 ( -2.326 9.306 -8.549) 12.849 4.219 ( 4.214 -19.891 2.016) 20.432 4.756 ( 13.983 -1.719 3.019) 14.408 5.556 ( 13.936 4.819 -0.985) 14.779 5.828 ( 6.534 10.385 -1.350) 12.343 7.190 ( 19.343 -17.799 -1.736) 26.343 7.612 ( 14.178 -14.826 1.865) 20.598 9.624 ( -11.977 11.911 -0.479) 16.898 9.842 ( -15.076 9.691 0.850) 17.942 10.267 ( 2.027 -0.089 -0.573) 2.108 10.406 ( 0.438 0.370 0.716) 0.917 12.122 ( -18.700 -4.832 -0.681) 19.326 12.201 ( -19.457 -4.463 -0.347) 19.965 15.994 ( 5.943 -0.533 -0.199) 5.971 16.034 ( 2.743 -0.413 0.129) 2.777 17.408 ( 1.897 1.788 0.198) 2.614 17.517 ( 0.216 1.849 1.684) 2.510 17.817 ( -2.967 -0.698 -1.707) 3.493 17.990 ( -4.984 -1.914 0.258) 5.345 19.062 ( 6.485 0.500 -0.003) 6.505 19.077 ( 4.236 0.528 0.103) 4.270 27.961 ( -0.721 -0.272 -1.209) 1.433 28.269 ( 3.373 0.220 1.402) 3.659 30.299 ( -9.290 0.068 -1.065) 9.351 30.937 ( 6.817 -0.948 5.945) 9.095 31.022 ( 0.238 1.325 -1.810) 2.256 31.399 ( 0.683 -1.132 2.207) 2.573 31.773 ( -3.539 2.594 -5.646) 7.150 32.224 ( 10.230 -1.397 0.404) 10.333 ======================= Grid point 563 (227/343) ======================= q-point: (-0.08 0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -1.428 -0.000 -0.018) 1.428 1.330 ( 1.639 0.000 0.590) 1.742 1.798 ( -0.468 0.000 0.678) 0.823 2.001 ( -1.022 0.000 1.089) 1.494 2.231 ( 12.213 -0.000 -1.178) 12.270 2.632 ( 3.959 0.000 0.590) 4.003 2.714 ( -10.299 -0.000 0.255) 10.302 2.909 ( 10.017 0.000 0.775) 10.047 3.037 ( -3.473 -0.000 0.096) 3.474 3.097 ( -0.784 -0.000 0.012) 0.784 3.288 ( -0.735 -0.000 -0.858) 1.130 3.385 ( 0.132 0.000 0.143) 0.195 3.754 ( -0.921 0.000 9.162) 9.209 3.953 ( 10.951 0.000 2.795) 11.302 4.096 ( -3.489 -0.000 -8.928) 9.586 4.490 ( 15.981 0.000 2.750) 16.215 5.346 ( 9.853 -0.000 -2.093) 10.073 5.738 ( 6.651 -0.000 -1.568) 6.834 6.821 ( 14.016 -0.000 -1.499) 14.096 7.339 ( 11.994 0.000 1.466) 12.083 9.845 ( -9.073 -0.000 -0.655) 9.097 10.090 ( -7.643 0.000 0.679) 7.673 10.288 ( -5.711 -0.000 -0.187) 5.714 10.435 ( -2.909 0.000 0.645) 2.980 12.432 ( -17.972 -0.000 -0.527) 17.980 12.541 ( -19.767 -0.000 0.124) 19.767 15.890 ( 5.292 -0.000 -0.308) 5.301 15.994 ( 1.642 0.000 0.261) 1.663 17.382 ( 1.138 -0.000 -0.539) 1.259 17.526 ( 0.472 0.000 0.719) 0.860 17.855 ( -2.171 -0.000 -0.740) 2.294 18.053 ( -2.468 0.000 0.750) 2.580 18.954 ( 5.497 -0.000 -0.248) 5.503 19.000 ( 4.593 0.000 -0.111) 4.594 27.985 ( -2.578 -0.000 -0.605) 2.648 28.205 ( 4.401 0.000 0.607) 4.443 30.442 ( -6.672 -0.000 0.245) 6.676 30.772 ( 11.793 0.000 2.337) 12.022 31.008 ( 0.682 -0.000 -1.908) 2.026 31.464 ( -6.333 0.000 0.975) 6.408 31.832 ( -2.977 -0.000 -1.562) 3.362 32.055 ( 7.879 0.000 0.191) 7.881 ======================= Grid point 564 (228/343) ======================= q-point: ( 0.00 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -1.543 -0.000 0.000) 1.543 1.333 ( 1.489 0.000 -0.000) 1.489 1.802 ( -0.591 -0.000 0.000) 0.591 2.007 ( -1.173 -0.000 0.000) 1.173 2.225 ( 12.293 0.000 -0.000) 12.293 2.635 ( 3.691 0.000 -0.000) 3.691 2.716 ( -10.844 -0.000 0.000) 10.844 2.913 ( 10.221 0.000 -0.000) 10.221 3.038 ( -3.488 -0.000 0.000) 3.488 3.097 ( -0.745 -0.000 0.000) 0.745 3.283 ( -0.501 -0.000 0.000) 0.501 3.386 ( 0.106 0.000 -0.000) 0.106 3.814 ( 0.067 0.000 -0.000) 0.067 3.968 ( 11.263 0.000 -0.000) 11.263 4.037 ( -5.365 -0.000 0.000) 5.365 4.506 ( 16.092 0.000 -0.000) 16.092 5.335 ( 10.298 0.000 -0.000) 10.298 5.730 ( 6.783 0.000 -0.000) 6.783 6.813 ( 14.052 0.000 -0.000) 14.052 7.347 ( 11.993 0.000 -0.000) 11.993 9.842 ( -9.050 -0.000 0.000) 9.050 10.094 ( -7.482 -0.000 0.000) 7.482 10.287 ( -5.895 -0.000 0.000) 5.895 10.438 ( -2.936 -0.000 0.000) 2.936 12.429 ( -18.002 -0.000 0.000) 18.002 12.541 ( -19.847 -0.000 0.000) 19.847 15.888 ( 5.344 0.000 -0.000) 5.344 15.995 ( 1.593 0.000 -0.000) 1.593 17.379 ( 1.297 0.000 -0.000) 1.297 17.530 ( 0.666 0.000 -0.000) 0.666 17.851 ( -2.353 -0.000 0.000) 2.353 18.057 ( -2.586 -0.000 0.000) 2.586 18.953 ( 5.568 0.000 -0.000) 5.568 18.999 ( 4.680 0.000 -0.000) 4.680 27.982 ( -2.670 -0.000 0.000) 2.670 28.209 ( 4.516 0.000 -0.000) 4.516 30.443 ( -7.000 -0.000 0.000) 7.000 30.785 ( 12.288 0.000 -0.000) 12.288 30.998 ( 0.966 0.000 -0.000) 0.966 31.469 ( -6.345 -0.000 0.000) 6.345 31.824 ( -3.503 -0.000 0.000) 3.503 32.056 ( 7.891 0.000 -0.000) 7.891 ======================= Grid point 570 (229/343) ======================= q-point: ( 0.46 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 13.335 12.804) 18.487 1.168 ( 0.000 17.077 9.487) 19.536 1.615 ( 0.000 6.063 -1.761) 6.314 1.663 ( -0.000 -1.308 -1.214) 1.785 2.253 ( -0.000 -9.683 6.755) 11.807 2.779 ( 0.000 0.569 -0.139) 0.586 2.830 ( -0.000 -6.519 -0.186) 6.522 2.887 ( 0.000 3.131 -1.712) 3.568 3.069 ( -0.000 -2.624 1.940) 3.263 3.265 ( -0.000 -5.684 -1.089) 5.787 3.426 ( -0.000 -25.303 21.256) 33.046 3.807 ( 0.000 6.109 -1.163) 6.219 3.813 ( 0.000 11.974 -2.984) 12.340 4.188 ( 0.000 13.161 8.132) 15.470 4.232 ( 0.000 74.435 5.077) 74.607 4.344 ( 0.000 13.409 -6.158) 14.755 4.623 ( 0.000 31.818 0.782) 31.828 5.155 ( -0.000 -2.394 -8.247) 8.588 7.285 ( 0.000 20.400 2.019) 20.500 7.405 ( 0.000 23.788 -1.042) 23.810 10.044 ( -0.000 -15.620 1.220) 15.667 10.183 ( -0.000 -16.026 -1.370) 16.084 10.827 ( 0.000 0.161 0.227) 0.278 10.841 ( 0.000 0.179 -0.135) 0.225 12.345 ( -0.000 -48.159 0.984) 48.169 12.519 ( -0.000 -48.429 -1.965) 48.469 16.249 ( 0.000 17.035 -0.801) 17.054 16.362 ( 0.000 11.611 -2.177) 11.813 17.271 ( -0.000 -11.616 -0.446) 11.624 17.290 ( -0.000 -11.026 -0.408) 11.033 17.541 ( 0.000 2.916 -2.686) 3.965 17.582 ( -0.000 1.182 -1.620) 2.006 19.205 ( 0.000 6.915 6.347) 9.386 19.231 ( 0.000 8.956 2.126) 9.205 28.010 ( 0.000 3.498 2.353) 4.216 28.286 ( -0.000 -0.804 -3.359) 3.454 29.965 ( 0.000 -2.514 3.017) 3.927 30.115 ( -0.000 -11.071 8.018) 13.670 30.705 ( 0.000 9.033 -6.348) 11.041 31.371 ( -0.000 -6.866 -13.369) 15.029 32.614 ( 0.000 18.040 9.039) 20.178 33.383 ( -0.000 14.067 -16.220) 21.470 ======================= Grid point 571 (230/343) ======================= q-point: ( 0.54 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -2.756 13.468 9.260) 16.575 1.390 ( -6.722 11.114 6.180) 14.384 1.639 ( 2.734 5.003 -0.400) 5.715 1.664 ( -0.870 5.596 -0.671) 5.703 2.254 ( -2.282 -7.735 7.652) 11.117 2.732 ( 3.275 -3.840 -0.972) 5.140 2.782 ( 0.722 -5.471 0.089) 5.519 2.879 ( 2.063 6.311 -3.357) 7.440 3.067 ( -0.557 -2.225 1.885) 2.969 3.183 ( 4.174 -8.029 2.653) 9.430 3.313 ( 2.687 -14.488 11.449) 18.660 3.803 ( 3.011 3.271 -0.770) 4.512 3.833 ( 1.719 4.798 -3.981) 6.467 4.166 ( 8.721 -9.541 -7.002) 14.701 4.423 ( -9.470 7.732 8.719) 15.016 4.861 ( -0.120 69.854 1.300) 69.866 4.962 ( -2.272 36.876 0.184) 36.946 5.168 ( -3.828 19.462 -5.001) 20.456 7.484 ( -4.153 24.600 0.612) 24.955 7.597 ( -3.281 25.026 -0.052) 25.240 9.873 ( 6.567 -19.710 1.637) 20.840 10.011 ( 4.803 -19.312 -1.811) 19.982 10.799 ( 3.469 0.082 0.150) 3.473 10.810 ( 3.411 0.027 -0.143) 3.414 12.022 ( -2.470 -48.000 1.257) 48.079 12.162 ( -1.124 -49.670 -1.699) 49.711 16.320 ( 3.884 13.370 -0.635) 13.938 16.407 ( 2.639 9.953 -1.577) 10.417 17.196 ( -0.164 -6.039 -0.050) 6.042 17.255 ( -5.015 -9.901 0.069) 11.098 17.547 ( -0.516 2.119 -2.275) 3.151 17.657 ( -6.995 -1.238 -1.498) 7.260 19.256 ( 2.559 6.444 4.217) 8.115 19.291 ( 1.403 8.121 2.188) 8.527 28.051 ( -0.273 3.184 2.076) 3.811 28.257 ( 0.550 -0.446 -2.781) 2.869 29.889 ( 3.362 -4.941 0.648) 6.011 30.242 ( -12.626 -7.798 9.211) 17.466 30.744 ( -1.259 8.336 -6.278) 10.512 31.271 ( -2.286 -6.100 -13.590) 15.071 32.724 ( 7.646 16.909 8.825) 20.549 33.275 ( 12.879 12.244 -9.005) 19.922 ======================= Grid point 572 (231/343) ======================= q-point: ( 0.62 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -3.767 12.246 3.356) 13.245 1.533 ( -1.678 1.053 0.067) 1.982 1.668 ( 0.537 9.656 0.576) 9.688 1.715 ( -0.190 6.876 0.773) 6.921 2.280 ( -1.611 -6.440 5.174) 8.417 2.642 ( 2.853 -2.781 0.001) 3.984 2.720 ( 1.544 -4.918 -0.344) 5.166 2.894 ( -0.071 9.125 -4.946) 10.379 3.011 ( 4.812 -4.662 1.132) 6.795 3.135 ( -0.888 -0.791 5.358) 5.488 3.255 ( 1.248 -4.500 3.487) 5.828 3.746 ( 5.656 2.499 -0.193) 6.187 3.781 ( 3.373 -1.888 -5.436) 6.670 3.904 ( 7.410 -6.838 -6.311) 11.895 4.645 ( -9.575 -6.128 3.980) 12.044 4.979 ( 7.728 20.406 1.777) 21.892 5.424 ( -4.912 47.894 0.612) 48.149 5.454 ( 3.232 47.270 -0.052) 47.380 7.796 ( -8.769 31.219 -0.523) 32.431 7.908 ( -10.490 28.291 1.112) 30.193 9.536 ( 13.949 -27.230 2.631) 30.708 9.701 ( 11.068 -26.041 -2.800) 28.434 10.709 ( 6.471 0.053 -0.059) 6.472 10.727 ( 5.682 -0.054 -0.073) 5.682 11.787 ( -7.127 -42.697 -0.336) 43.289 11.879 ( -6.115 -43.759 -0.243) 44.185 16.303 ( 5.691 7.696 -0.589) 9.589 16.390 ( 5.111 6.340 -0.532) 8.161 17.199 ( -2.248 -0.564 1.207) 2.613 17.327 ( -8.207 -4.018 -0.805) 9.173 17.566 ( -1.575 0.101 -0.522) 1.662 17.755 ( -6.624 -3.774 -1.991) 7.880 19.257 ( 3.671 5.270 2.214) 6.794 19.317 ( 3.052 7.521 1.722) 8.297 28.070 ( 1.189 1.721 0.401) 2.129 28.249 ( -0.830 0.914 -0.372) 1.290 29.828 ( -1.335 -5.113 -2.316) 5.770 30.479 ( -12.775 -6.073 11.260) 18.080 30.804 ( -2.571 7.467 -5.206) 9.459 31.231 ( -5.388 -5.051 -11.811) 13.930 32.652 ( 16.697 12.561 5.056) 21.497 33.069 ( 15.418 11.222 -2.320) 19.210 ======================= Grid point 573 (232/343) ======================= q-point: ( 0.69 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -0.578 8.966 0.016) 8.985 1.551 ( -0.114 4.996 -1.869) 5.335 1.662 ( 3.335 0.511 -2.363) 4.119 1.780 ( 0.109 6.765 0.803) 6.813 2.242 ( 0.793 -8.833 -1.725) 9.035 2.609 ( 0.563 -2.028 2.883) 3.569 2.670 ( 0.671 -2.904 -0.242) 2.990 2.879 ( 2.776 3.996 -5.383) 7.256 3.003 ( -1.249 8.412 0.305) 8.509 3.190 ( 1.100 7.435 4.369) 8.694 3.254 ( -1.810 0.922 2.336) 3.096 3.592 ( 6.293 -7.119 -3.826) 10.243 3.676 ( 4.688 -0.555 -0.643) 4.764 3.787 ( 3.282 2.538 -4.338) 6.003 4.692 ( -4.757 -17.599 0.426) 18.236 5.022 ( 5.742 18.793 4.335) 20.123 5.667 ( 8.783 43.350 0.580) 44.235 5.744 ( 2.074 33.437 1.210) 33.523 8.232 ( -13.389 34.885 1.012) 37.380 8.358 ( -14.771 30.419 0.177) 33.816 9.034 ( 19.434 -33.831 3.440) 39.167 9.228 ( 15.226 -32.923 -4.144) 36.509 10.581 ( 7.635 0.204 -0.199) 7.640 10.618 ( 6.298 0.241 -0.001) 6.303 11.672 ( -11.624 -34.668 -0.887) 36.576 11.764 ( -11.292 -33.446 -0.010) 35.301 16.238 ( 5.530 3.580 -0.482) 6.606 16.319 ( 6.165 2.874 -0.026) 6.802 17.268 ( -2.697 3.743 2.430) 5.214 17.446 ( -5.314 3.133 -2.497) 6.655 17.606 ( -4.559 -4.279 2.622) 6.780 17.810 ( -4.860 -5.484 -3.224) 8.006 19.231 ( 3.860 4.097 0.868) 5.695 19.306 ( 4.558 6.303 1.116) 7.858 28.041 ( 2.335 0.394 -0.980) 2.563 28.287 ( -1.376 1.792 1.615) 2.777 29.846 ( -6.160 -4.191 -3.322) 8.157 30.707 ( -9.959 -4.159 11.262) 15.598 30.881 ( -3.072 6.182 -3.472) 7.727 31.268 ( -8.376 -3.789 -8.336) 12.410 32.384 ( 21.938 7.308 0.354) 23.126 32.868 ( 15.322 8.934 0.938) 17.762 ======================= Grid point 574 (233/343) ======================= q-point: ( 0.77 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 2.470 5.606 -0.297) 6.134 1.522 ( 6.226 -4.795 -0.027) 7.859 1.637 ( -2.091 11.183 -5.051) 12.447 1.819 ( -0.421 4.103 0.392) 4.143 2.145 ( -1.029 -10.557 -5.242) 11.832 2.591 ( 1.202 -2.501 1.002) 2.951 2.644 ( -0.589 -2.296 -1.062) 2.598 2.891 ( 1.361 12.342 -1.167) 12.471 3.065 ( -1.703 -0.081 0.347) 1.740 3.263 ( 2.326 15.649 4.297) 16.394 3.340 ( -1.100 8.462 1.775) 8.716 3.437 ( 5.843 -2.822 -1.336) 6.624 3.596 ( 3.545 -0.355 1.321) 3.799 3.751 ( -0.535 3.678 -6.719) 7.678 4.607 ( -1.601 -22.528 1.688) 22.648 5.046 ( 7.366 13.600 2.625) 15.688 5.780 ( 9.389 34.375 0.009) 35.634 5.845 ( 9.035 21.320 1.592) 23.210 8.396 ( 22.363 -32.239 0.815) 39.245 8.549 ( 14.091 -25.774 0.723) 29.383 8.773 ( -15.144 30.785 2.790) 34.422 8.977 ( -14.480 17.229 -3.924) 22.845 10.448 ( 7.176 0.205 -0.297) 7.185 10.516 ( 5.398 0.485 0.153) 5.422 11.700 ( -15.398 -24.487 -0.115) 28.926 11.789 ( -14.537 -23.818 -0.898) 27.918 16.161 ( 4.659 1.299 -0.254) 4.843 16.219 ( 6.411 0.747 0.028) 6.454 17.358 ( -1.545 5.998 2.921) 6.848 17.505 ( 0.220 5.044 -1.946) 5.410 17.699 ( -6.769 -5.206 3.435) 9.205 17.831 ( -5.168 -5.927 -4.318) 8.971 19.191 ( 3.732 2.928 0.285) 4.752 19.257 ( 5.824 4.398 0.607) 7.323 27.995 ( 2.065 -0.153 -1.129) 2.358 28.322 ( 0.025 1.504 1.799) 2.345 29.949 ( -9.718 -2.624 -2.673) 10.415 30.884 ( -6.974 -2.718 8.179) 11.087 30.954 ( -2.226 4.339 -1.837) 5.211 31.381 ( -9.233 -1.715 -2.287) 9.665 32.021 ( 21.310 3.375 -3.479) 21.854 32.655 ( 14.867 5.186 1.022) 15.778 ======================= Grid point 575 (234/343) ======================= q-point: ( 0.85 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 7.122 -4.178 -0.558) 8.276 1.402 ( 3.212 2.594 -0.129) 4.131 1.746 ( -1.415 9.461 -0.555) 9.582 1.871 ( -2.268 3.777 0.333) 4.418 2.135 ( -9.443 -6.095 -4.805) 12.223 2.550 ( 1.735 -0.935 -0.761) 2.112 2.651 ( -1.125 -0.038 -0.464) 1.218 2.948 ( 1.316 9.794 0.019) 9.882 3.081 ( -0.891 -1.503 0.602) 1.848 3.272 ( 5.537 -5.255 1.688) 7.818 3.357 ( 8.585 18.429 0.114) 20.331 3.394 ( 2.532 8.495 1.303) 8.960 3.599 ( -2.151 1.805 6.340) 6.934 3.802 ( -4.128 9.646 -9.557) 14.192 4.453 ( 0.832 -25.596 2.245) 25.708 4.971 ( 10.849 7.262 1.725) 13.169 5.757 ( 14.160 11.920 0.770) 18.525 5.831 ( 7.880 22.914 -0.624) 24.239 7.745 ( 23.331 -31.043 -0.352) 38.835 8.045 ( 16.254 -28.219 0.612) 32.571 9.258 ( -14.702 24.052 0.733) 28.199 9.436 ( -18.128 20.452 -0.649) 27.338 10.334 ( 5.392 -0.023 -0.308) 5.400 10.441 ( 3.368 0.458 0.279) 3.410 11.860 ( -17.834 -14.160 -0.023) 22.772 11.932 ( -17.331 -13.675 -0.799) 22.091 16.091 ( 3.702 0.116 0.005) 3.703 16.107 ( 6.286 -0.309 -0.090) 6.295 17.418 ( 1.060 4.988 1.485) 5.311 17.516 ( 0.894 3.474 0.360) 3.605 17.764 ( -3.603 -3.553 -0.334) 5.072 17.897 ( -7.454 -3.872 -1.239) 8.491 19.142 ( 3.864 1.661 0.124) 4.208 19.171 ( 6.619 2.229 0.223) 6.988 27.960 ( 0.917 -0.370 -0.849) 1.304 28.321 ( 1.962 0.834 1.186) 2.440 30.112 ( -10.948 -1.004 -1.386) 11.081 30.997 ( -1.579 1.747 0.426) 2.393 31.000 ( -2.638 -0.984 3.455) 4.457 31.503 ( -0.235 -0.143 6.545) 6.551 31.698 ( 8.615 1.463 -9.791) 13.124 32.433 ( 13.012 1.427 0.462) 13.099 ======================= Grid point 576 (235/343) ======================= q-point: (-0.08 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 3.877 -2.089 -0.187) 4.408 1.362 ( 2.302 0.631 0.064) 2.387 1.789 ( 0.236 2.493 0.213) 2.513 1.950 ( -3.180 3.095 0.316) 4.449 2.302 ( -5.803 3.407 -1.000) 6.803 2.534 ( -4.672 -1.755 -0.754) 5.047 2.663 ( 0.477 1.163 -0.063) 1.258 2.984 ( 0.703 6.183 0.021) 6.223 3.087 ( 0.078 -1.034 0.861) 1.347 3.111 ( 8.415 -2.930 -0.105) 8.911 3.312 ( 6.212 7.916 -0.045) 10.062 3.396 ( 1.989 3.305 0.106) 3.859 3.733 ( -4.326 3.376 8.217) 9.881 3.901 ( -1.568 16.386 -8.490) 18.521 4.238 ( 4.156 -24.544 1.066) 24.916 4.781 ( 14.503 0.691 1.304) 14.578 5.550 ( 14.539 4.062 -0.262) 15.099 5.817 ( 6.936 10.700 -0.631) 12.767 7.177 ( 19.540 -18.125 -0.598) 26.659 7.625 ( 14.025 -14.570 0.640) 20.233 9.621 ( -11.779 11.428 -0.166) 16.413 9.848 ( -15.256 10.259 0.300) 18.387 10.263 ( 2.047 -0.108 -0.196) 2.059 10.412 ( 0.334 0.412 0.248) 0.586 12.117 ( -18.695 -5.260 -0.245) 19.422 12.198 ( -19.645 -4.151 -0.126) 20.079 15.993 ( 6.041 -0.553 -0.068) 6.067 16.035 ( 2.633 -0.396 0.043) 2.663 17.409 ( 2.336 1.574 0.064) 2.818 17.530 ( 0.579 2.476 0.668) 2.629 17.804 ( -3.345 -1.318 -0.671) 3.657 17.992 ( -5.375 -1.688 0.096) 5.635 19.062 ( 6.632 0.496 0.000) 6.650 19.078 ( 4.286 0.525 0.035) 4.318 27.953 ( -0.803 -0.306 -0.408) 0.951 28.279 ( 3.563 0.258 0.477) 3.604 30.292 ( -9.775 0.052 -0.335) 9.781 30.982 ( 7.770 -0.951 2.244) 8.144 31.009 ( 0.509 1.306 -0.649) 1.545 31.417 ( 2.299 -0.956 0.977) 2.675 31.729 ( -6.189 2.310 -2.348) 7.011 32.227 ( 10.374 -1.236 0.126) 10.448 ======================= Grid point 584 (236/343) ======================= q-point: ( 0.54 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 10.788 14.429) 18.016 1.266 ( -0.000 14.040 8.821) 16.581 1.593 ( -0.000 7.705 -2.390) 8.068 1.640 ( -0.000 1.595 -3.260) 3.629 2.334 ( -0.000 -7.068 8.464) 11.027 2.765 ( -0.000 2.019 -3.080) 3.683 2.827 ( -0.000 -6.516 -0.195) 6.519 2.858 ( -0.000 0.365 -2.841) 2.865 3.094 ( 0.000 -3.218 2.666) 4.179 3.250 ( -0.000 -5.567 -1.815) 5.855 3.637 ( -0.000 -21.652 17.942) 28.119 3.784 ( 0.000 10.184 -2.424) 10.468 3.796 ( -0.000 4.643 -0.797) 4.711 4.229 ( 0.000 29.536 -3.843) 29.785 4.290 ( 0.000 68.962 5.919) 69.215 4.326 ( -0.000 -8.846 5.778) 10.566 4.628 ( -0.000 36.460 0.459) 36.463 5.057 ( -0.000 -0.560 -10.266) 10.282 7.306 ( -0.000 20.505 1.987) 20.601 7.393 ( -0.000 23.253 -1.277) 23.288 10.059 ( 0.000 -15.642 1.594) 15.723 10.166 ( 0.000 -15.989 -1.841) 16.095 10.829 ( 0.000 0.132 0.248) 0.281 10.840 ( 0.000 0.160 -0.140) 0.213 12.360 ( -0.000 -47.727 1.740) 47.759 12.496 ( -0.000 -48.183 -2.442) 48.244 16.245 ( 0.000 16.305 0.084) 16.305 16.338 ( 0.000 12.159 -2.458) 12.405 17.267 ( 0.000 -11.254 -0.187) 11.256 17.285 ( 0.000 -11.002 -0.497) 11.014 17.520 ( 0.000 2.963 -1.272) 3.225 17.563 ( 0.000 1.285 -1.789) 2.203 19.254 ( 0.000 8.739 2.239) 9.021 19.260 ( 0.000 6.601 4.044) 7.741 28.039 ( 0.000 2.993 3.031) 4.260 28.247 ( -0.000 -0.277 -3.970) 3.980 30.002 ( 0.000 -2.208 4.049) 4.612 30.186 ( 0.000 -10.412 4.612) 11.388 30.659 ( -0.000 5.176 -1.523) 5.396 31.224 ( 0.000 -8.107 -14.417) 16.540 32.710 ( -0.000 19.559 9.116) 21.579 33.227 ( 0.000 18.929 -13.438) 23.214 ======================= Grid point 585 (237/343) ======================= q-point: ( 0.62 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.110 10.832 10.217) 14.891 1.445 ( -5.713 6.293 3.987) 9.388 1.629 ( 2.484 9.152 -1.285) 9.570 1.658 ( -0.359 8.283 -0.599) 8.312 2.345 ( -0.520 -5.507 9.411) 10.916 2.714 ( 3.203 -1.995 -2.749) 4.669 2.781 ( 0.542 -6.037 -0.266) 6.067 2.830 ( 0.981 2.847 -4.991) 5.829 3.089 ( 0.090 -2.887 2.127) 3.587 3.191 ( 1.595 -4.075 -0.355) 4.390 3.448 ( 10.038 -13.352 12.377) 20.790 3.796 ( 2.161 2.510 -1.134) 3.501 3.800 ( 1.808 2.525 -1.436) 3.422 4.082 ( 8.359 -11.519 -8.611) 16.635 4.519 ( -9.113 3.405 9.066) 13.298 4.875 ( 2.078 70.363 1.376) 70.407 4.953 ( -6.560 23.367 -2.056) 24.358 5.119 ( -3.629 34.869 -4.007) 35.286 7.489 ( -2.793 24.870 0.415) 25.030 7.596 ( -4.683 24.448 -0.017) 24.893 9.893 ( 6.260 -19.654 2.006) 20.724 9.990 ( 5.042 -19.401 -2.193) 20.165 10.800 ( 3.573 0.063 0.141) 3.576 10.809 ( 3.394 0.067 -0.122) 3.397 12.037 ( -1.903 -48.147 1.601) 48.211 12.143 ( -1.599 -49.148 -1.908) 49.211 16.316 ( 3.800 12.632 -0.151) 13.192 16.391 ( 2.207 10.624 -1.488) 10.952 17.196 ( -0.644 -5.874 0.025) 5.910 17.256 ( -4.946 -10.162 0.037) 11.302 17.525 ( -0.659 2.389 -1.707) 3.009 17.644 ( -6.742 -0.922 -1.058) 6.886 19.292 ( 2.800 5.942 2.609) 7.068 19.313 ( 1.664 7.936 1.999) 8.352 28.074 ( 0.235 2.483 2.326) 3.411 28.226 ( -0.243 0.314 -2.925) 2.952 29.899 ( 5.546 -5.090 1.085) 7.605 30.329 ( -14.212 -6.098 6.731) 16.866 30.700 ( -1.472 4.942 -1.219) 5.299 31.123 ( -3.338 -6.727 -14.206) 16.069 32.814 ( 9.087 17.338 8.204) 21.225 33.186 ( 10.395 15.633 -7.885) 20.362 ======================= Grid point 586 (238/343) ======================= q-point: ( 0.69 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -1.124 10.149 4.396) 11.117 1.523 ( 0.255 2.452 -1.788) 3.045 1.671 ( 0.299 5.847 0.064) 5.855 1.726 ( 0.333 10.279 1.147) 10.348 2.338 ( 2.317 -6.036 5.375) 8.408 2.648 ( 1.338 -0.792 1.148) 1.933 2.716 ( 1.423 -5.297 -0.375) 5.497 2.829 ( -0.897 4.322 -6.810) 8.115 3.022 ( 5.060 -1.822 0.767) 5.432 3.185 ( -1.075 0.854 3.839) 4.077 3.295 ( 5.608 -2.014 3.801) 7.067 3.725 ( 4.284 -7.643 -3.956) 9.613 3.750 ( 4.252 1.571 0.022) 4.533 3.842 ( 5.351 -4.138 -5.276) 8.578 4.681 ( -7.699 -9.734 2.737) 12.709 4.994 ( 5.565 22.267 1.107) 22.978 5.428 ( -6.923 43.810 0.291) 44.354 5.454 ( 4.547 52.272 0.070) 52.469 7.792 ( -9.073 31.388 -0.308) 32.675 7.917 ( -10.401 28.087 0.713) 29.959 9.566 ( 13.458 -27.035 3.047) 30.353 9.669 ( 11.585 -26.370 -3.178) 28.978 10.708 ( 6.550 0.018 -0.050) 6.551 10.726 ( 5.706 0.052 -0.035) 5.706 11.784 ( -6.331 -43.327 -0.216) 43.788 11.877 ( -6.665 -43.049 -0.184) 43.563 16.298 ( 5.563 7.210 -0.357) 9.113 16.385 ( 4.858 6.756 -0.377) 8.330 17.211 ( -2.788 0.053 1.041) 2.976 17.318 ( -7.534 -4.303 -0.778) 8.711 17.561 ( -2.929 0.066 -0.394) 2.956 17.738 ( -5.959 -3.768 -1.283) 7.166 19.277 ( 4.063 4.673 1.443) 6.358 19.333 ( 3.297 7.541 1.160) 8.312 28.073 ( 2.009 1.033 0.207) 2.269 28.246 ( -2.026 1.702 -0.205) 2.654 29.809 ( -0.102 -5.314 -1.322) 5.476 30.590 ( -13.367 -3.516 8.920) 16.451 30.769 ( -2.884 4.616 -0.628) 5.479 31.102 ( -7.301 -5.712 -12.472) 15.540 32.698 ( 18.979 11.979 3.566) 22.724 33.048 ( 13.514 13.536 -1.602) 19.194 ======================= Grid point 587 (239/343) ======================= q-point: ( 0.77 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.403 8.369 0.600) 8.400 1.522 ( 0.784 7.070 -2.912) 7.687 1.647 ( 3.571 -2.408 -0.559) 4.343 1.786 ( 0.521 6.883 0.448) 6.918 2.232 ( 3.880 -8.961 -0.393) 9.773 2.639 ( 0.238 -4.298 2.036) 4.762 2.675 ( 1.206 -3.288 1.675) 3.882 2.819 ( 0.854 7.403 -5.534) 9.282 3.007 ( -0.684 7.460 0.331) 7.499 3.230 ( 3.817 11.233 3.097) 12.261 3.273 ( -2.463 1.631 1.227) 3.199 3.554 ( 3.053 -11.801 -2.825) 12.513 3.676 ( 5.014 1.323 0.399) 5.201 3.748 ( 3.950 2.010 -2.924) 5.309 4.696 ( -5.258 -18.750 0.232) 19.475 5.057 ( 6.384 20.622 2.251) 21.704 5.671 ( 9.429 44.798 0.255) 45.780 5.755 ( 0.621 31.032 0.747) 31.047 8.241 ( -13.904 34.951 0.549) 37.619 8.359 ( -14.631 30.881 0.120) 34.172 9.071 ( 19.616 -33.497 3.550) 38.980 9.185 ( 15.373 -33.855 -3.951) 37.391 10.580 ( 7.679 0.145 -0.113) 7.681 10.618 ( 6.295 0.354 0.004) 6.305 11.664 ( -11.779 -34.539 -0.487) 36.496 11.764 ( -10.975 -33.636 -0.016) 35.381 16.234 ( 5.406 3.363 -0.261) 6.372 16.319 ( 6.111 2.988 -0.011) 6.803 17.291 ( -2.979 4.631 1.891) 5.822 17.422 ( -4.730 2.494 -1.947) 5.691 17.631 ( -6.334 -3.932 1.983) 7.714 17.780 ( -3.798 -5.931 -2.296) 7.408 19.238 ( 4.095 3.771 0.497) 5.589 19.316 ( 4.729 6.338 0.588) 7.930 28.033 ( 2.601 0.229 -0.524) 2.663 28.300 ( -1.826 2.040 0.878) 2.875 29.820 ( -5.840 -4.330 -1.696) 7.466 30.815 ( -8.469 -1.898 7.895) 11.733 30.856 ( -3.532 4.424 -0.541) 5.687 31.180 ( -11.827 -4.540 -7.911) 14.936 32.387 ( 23.573 6.867 0.304) 24.555 32.876 ( 15.174 9.983 0.529) 18.171 ======================= Grid point 588 (240/343) ======================= q-point: ( 0.85 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 2.529 5.722 -0.090) 6.257 1.520 ( 6.748 -5.234 -0.328) 8.546 1.598 ( -3.729 10.829 -1.981) 11.623 1.821 ( -0.349 4.245 0.140) 4.261 2.111 ( 0.409 -10.539 -1.469) 10.649 2.600 ( 2.577 -3.136 0.643) 4.109 2.634 ( -1.102 -2.545 -0.646) 2.848 2.882 ( 0.406 12.906 -0.457) 12.921 3.068 ( -1.860 0.126 0.153) 1.870 3.300 ( 4.362 23.568 2.320) 24.081 3.350 ( -1.591 4.920 0.102) 5.172 3.426 ( 3.517 -6.368 -0.619) 7.301 3.615 ( 1.857 -0.475 1.893) 2.694 3.692 ( 1.946 3.697 -3.943) 5.744 4.618 ( -3.051 -24.209 0.523) 24.406 5.065 ( 8.659 16.043 0.969) 18.256 5.780 ( 9.760 34.703 -0.040) 36.050 5.857 ( 8.545 20.136 0.602) 21.882 8.401 ( 22.316 -31.266 0.257) 38.415 8.555 ( 14.851 -27.297 0.294) 31.076 8.798 ( -14.161 28.189 1.571) 31.586 8.944 ( -16.189 20.392 -1.978) 26.111 10.446 ( 7.218 0.156 -0.104) 7.220 10.517 ( 5.343 0.560 0.053) 5.373 11.699 ( -15.675 -24.590 -0.031) 29.161 11.782 ( -14.218 -23.868 -0.333) 27.783 16.159 ( 4.546 1.202 -0.090) 4.704 16.219 ( 6.446 0.781 0.011) 6.494 17.383 ( -1.241 6.664 1.510) 6.945 17.486 ( -0.706 5.067 -1.236) 5.264 17.739 ( -5.855 -5.850 4.147) 9.258 17.784 ( -5.618 -5.909 -4.387) 9.259 19.193 ( 3.784 2.817 0.109) 4.718 19.261 ( 5.938 4.422 0.209) 7.406 27.987 ( 2.140 -0.186 -0.381) 2.182 28.335 ( -0.019 1.570 0.622) 1.688 29.930 ( -9.858 -2.682 -0.900) 10.256 30.940 ( -2.490 4.131 -0.489) 4.848 30.948 ( -5.712 -2.456 3.232) 7.007 31.359 ( -12.702 -1.612 -1.398) 12.880 31.997 ( 23.388 2.958 -1.175) 23.604 32.662 ( 15.104 5.581 0.345) 16.106 ======================= Grid point 589 (241/343) ======================= q-point: (-0.08 -0.69 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 7.036 -4.294 0.000) 8.243 1.402 ( 3.187 2.644 -0.000) 4.141 1.743 ( -2.101 9.954 -0.000) 10.173 1.873 ( -2.298 3.851 -0.000) 4.485 2.110 ( -9.720 -6.648 0.000) 11.776 2.546 ( 2.053 -0.875 0.000) 2.232 2.649 ( -1.263 -0.117 0.000) 1.269 2.948 ( 1.268 9.830 -0.000) 9.911 3.084 ( -0.949 -1.470 0.000) 1.750 3.281 ( 6.024 -6.156 0.000) 8.613 3.357 ( 8.263 18.685 -0.000) 20.430 3.401 ( 2.921 8.500 -0.000) 8.987 3.655 ( -5.918 -2.266 0.000) 6.337 3.729 ( -0.845 14.675 -0.000) 14.700 4.465 ( 0.080 -26.861 0.000) 26.861 4.981 ( 11.359 8.812 -0.000) 14.377 5.761 ( 14.101 10.919 -0.000) 17.834 5.827 ( 8.228 23.491 -0.000) 24.891 7.743 ( 23.545 -31.326 0.000) 39.188 8.048 ( 16.090 -28.030 0.000) 32.320 9.262 ( -14.486 23.478 -0.000) 27.587 9.433 ( -18.400 21.156 -0.000) 28.039 10.332 ( 5.412 -0.043 -0.000) 5.413 10.443 ( 3.320 0.488 -0.000) 3.356 11.860 ( -17.862 -14.522 0.000) 23.020 11.928 ( -17.338 -13.421 0.000) 21.926 16.091 ( 3.572 0.051 -0.000) 3.572 16.107 ( 6.393 -0.260 -0.000) 6.399 17.426 ( 1.560 4.797 -0.000) 5.044 17.518 ( 0.526 4.405 -0.000) 4.437 17.763 ( -3.126 -4.664 0.000) 5.615 17.890 ( -8.089 -3.479 0.000) 8.805 19.142 ( 3.867 1.641 -0.000) 4.200 19.172 ( 6.685 2.237 -0.000) 7.050 27.956 ( 0.921 -0.386 0.000) 0.998 28.327 ( 2.020 0.854 -0.000) 2.193 30.105 ( -11.125 -1.013 0.000) 11.171 30.992 ( -0.781 2.680 -0.000) 2.791 31.026 ( -3.336 -2.023 0.000) 3.902 31.562 ( -10.062 1.060 -0.000) 10.118 31.622 ( 18.290 0.276 -0.000) 18.292 32.436 ( 13.136 1.546 -0.000) 13.227 ======================= Grid point 599 (242/343) ======================= q-point: ( 0.62 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 7.503 13.957) 15.846 1.349 ( 0.000 9.633 6.614) 11.685 1.565 ( 0.000 10.196 -2.936) 10.610 1.594 ( -0.000 6.300 -5.430) 8.317 2.428 ( -0.000 -4.255 9.407) 10.325 2.710 ( 0.000 2.797 -6.968) 7.509 2.826 ( 0.000 -6.334 -0.053) 6.334 2.838 ( -0.000 -3.215 -1.109) 3.401 3.125 ( -0.000 -3.810 3.221) 4.989 3.227 ( -0.000 -5.294 -2.613) 5.904 3.758 ( -0.000 -1.790 1.861) 2.582 3.764 ( -0.000 8.222 -1.424) 8.345 3.834 ( 0.000 -7.067 11.324) 13.349 4.157 ( -0.000 16.944 -8.084) 18.774 4.353 ( -0.000 59.611 5.835) 59.896 4.403 ( 0.000 4.394 6.406) 7.768 4.643 ( 0.000 34.185 3.021) 34.318 4.941 ( 0.000 2.363 -11.560) 11.799 7.326 ( -0.000 20.867 1.856) 20.950 7.378 ( -0.000 22.646 -1.452) 22.692 10.077 ( -0.000 -15.681 1.915) 15.797 10.145 ( -0.000 -15.907 -2.140) 16.050 10.832 ( -0.000 0.112 0.240) 0.265 10.838 ( -0.000 0.134 -0.154) 0.204 12.382 ( -0.000 -47.553 2.363) 47.612 12.468 ( -0.000 -47.931 -2.760) 48.011 16.251 ( 0.000 15.406 0.987) 15.437 16.311 ( 0.000 12.834 -2.471) 13.069 17.267 ( -0.000 -11.022 0.123) 11.023 17.280 ( -0.000 -10.967 -0.535) 10.980 17.513 ( -0.000 2.578 -0.104) 2.580 17.545 ( -0.000 1.463 -1.705) 2.247 19.276 ( 0.000 8.431 1.942) 8.652 19.290 ( 0.000 6.954 1.810) 7.186 28.074 ( 0.000 2.388 3.606) 4.325 28.203 ( 0.000 0.344 -4.268) 4.282 30.049 ( -0.000 -1.973 4.994) 5.369 30.201 ( -0.000 -6.409 -1.601) 6.606 30.685 ( -0.000 -1.459 6.443) 6.606 31.071 ( 0.000 -8.836 -14.583) 17.051 32.804 ( -0.000 20.879 8.897) 22.696 33.099 ( 0.000 21.301 -10.925) 23.939 ======================= Grid point 600 (243/343) ======================= q-point: ( 0.69 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 1.463 7.333 8.071) 11.002 1.469 ( -4.187 2.216 0.594) 4.775 1.617 ( 1.620 12.197 -0.898) 12.336 1.651 ( -0.185 12.425 -0.686) 12.445 2.446 ( 1.369 -3.470 9.453) 10.163 2.666 ( 1.548 1.371 -6.264) 6.596 2.777 ( 0.403 -5.765 -0.476) 5.798 2.791 ( 1.178 -3.066 -2.122) 3.910 3.110 ( 1.257 -3.914 1.750) 4.468 3.183 ( -0.463 -2.465 -0.898) 2.664 3.553 ( 15.162 -5.767 6.967) 17.655 3.781 ( 1.713 1.219 -0.780) 2.243 3.810 ( 1.823 -1.428 2.891) 3.705 3.990 ( 6.643 -14.899 -8.625) 18.452 4.605 ( -7.092 1.063 6.886) 9.942 4.886 ( 6.621 65.601 0.286) 65.934 4.923 ( -14.974 13.751 -2.963) 20.545 5.088 ( -2.381 50.858 -1.801) 50.946 7.492 ( -1.823 25.106 0.200) 25.173 7.596 ( -5.700 24.026 0.001) 24.693 9.915 ( 5.929 -19.613 2.280) 20.616 9.966 ( 5.317 -19.451 -2.400) 20.307 10.801 ( 3.691 0.046 0.095) 3.693 10.808 ( 3.335 0.091 -0.080) 3.337 12.054 ( -1.085 -48.506 1.508) 48.541 12.123 ( -2.335 -48.553 -1.661) 48.638 16.316 ( 3.935 11.858 0.126) 12.494 16.378 ( 1.744 11.323 -0.983) 11.498 17.196 ( -0.946 -5.779 0.039) 5.856 17.256 ( -4.926 -10.331 0.014) 11.446 17.512 ( -0.600 2.476 -0.897) 2.701 17.635 ( -6.674 -0.742 -0.555) 6.738 19.312 ( 2.812 5.781 1.344) 6.568 19.330 ( 1.915 7.819 1.028) 8.116 28.098 ( 1.169 1.611 2.040) 2.850 28.197 ( -1.366 1.231 -2.384) 3.011 29.910 ( 7.238 -5.240 0.829) 8.974 30.375 ( -15.171 -1.771 2.100) 15.418 30.729 ( -1.953 -0.894 6.596) 6.937 30.976 ( -3.988 -6.783 -13.589) 15.703 32.893 ( 11.120 17.282 6.439) 21.535 33.111 ( 7.795 17.954 -6.097) 20.500 ======================= Grid point 601 (244/343) ======================= q-point: ( 0.77 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.263 7.840 2.526) 8.241 1.503 ( 1.800 4.747 -1.527) 5.302 1.671 ( -0.016 4.089 0.008) 4.089 1.735 ( 0.601 11.373 0.461) 11.398 2.382 ( 5.615 -6.223 2.406) 8.720 2.665 ( -0.984 2.549 1.764) 3.252 2.715 ( 1.317 -4.023 0.381) 4.250 2.763 ( -0.972 -1.122 -4.791) 5.016 3.027 ( 4.984 -1.053 0.231) 5.099 3.212 ( -2.558 0.618 1.292) 2.931 3.327 ( 10.292 2.531 1.765) 10.744 3.695 ( 3.341 -14.214 -1.598) 14.688 3.754 ( 4.453 0.181 0.628) 4.500 3.798 ( 3.722 -0.168 -2.608) 4.548 4.701 ( -6.433 -11.801 0.972) 13.476 5.002 ( 4.197 23.374 0.370) 23.751 5.430 ( -8.084 41.669 0.071) 42.446 5.455 ( 5.327 54.981 0.052) 55.239 7.789 ( -9.223 31.473 -0.101) 32.797 7.922 ( -10.375 27.985 0.245) 29.847 9.599 ( 12.994 -26.698 3.269) 29.872 9.635 ( 12.062 -26.779 -3.318) 29.557 10.708 ( 6.596 0.003 -0.020) 6.596 10.726 ( 5.717 0.104 -0.010) 5.718 11.782 ( -5.871 -43.691 -0.073) 44.083 11.876 ( -6.983 -42.643 -0.069) 43.211 16.295 ( 5.514 6.928 -0.117) 8.855 16.382 ( 4.703 6.993 -0.136) 8.429 17.219 ( -3.179 0.575 0.438) 3.260 17.312 ( -7.029 -4.630 -0.348) 8.424 17.558 ( -3.756 0.035 -0.147) 3.759 17.729 ( -5.536 -3.790 -0.439) 6.724 19.287 ( 4.250 4.396 0.505) 6.135 19.341 ( 3.432 7.541 0.399) 8.294 28.075 ( 2.500 0.639 0.059) 2.581 28.245 ( -2.728 2.158 -0.061) 3.479 29.800 ( 0.586 -5.424 -0.426) 5.472 30.645 ( -12.248 3.160 1.696) 12.762 30.805 ( -3.690 -2.009 6.261) 7.540 30.980 ( -9.110 -6.318 -9.473) 14.583 32.724 ( 20.438 11.558 1.299) 23.516 33.036 ( 12.248 14.878 -0.586) 19.280 ======================= Grid point 602 (245/343) ======================= q-point: (-0.15 -0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.999 7.823 -0.000) 7.886 1.504 ( 1.250 7.693 -0.000) 7.794 1.645 ( 3.443 -3.117 0.000) 4.644 1.789 ( 0.664 6.913 -0.000) 6.945 2.230 ( 4.934 -8.850 0.000) 10.132 2.647 ( -0.006 -5.040 0.000) 5.040 2.695 ( 2.667 -7.062 0.000) 7.549 2.781 ( -1.007 12.030 -0.000) 12.072 3.009 ( -0.536 7.197 -0.000) 7.216 3.248 ( 5.634 13.226 -0.000) 14.376 3.279 ( -3.269 1.944 -0.000) 3.803 3.539 ( 1.757 -13.775 0.000) 13.887 3.680 ( 4.895 1.623 -0.000) 5.157 3.731 ( 4.319 1.807 -0.000) 4.682 4.697 ( -5.399 -19.116 0.000) 19.864 5.069 ( 6.588 21.242 -0.000) 22.240 5.673 ( 9.644 45.217 -0.000) 46.234 5.759 ( 0.118 30.268 -0.000) 30.269 8.244 ( -14.086 34.950 -0.000) 37.682 8.360 ( -14.587 31.069 -0.000) 34.323 9.096 ( 20.467 -32.727 0.000) 38.599 9.157 ( 14.642 -34.839 0.000) 37.791 10.579 ( 7.695 0.127 -0.000) 7.696 10.618 ( 6.294 0.392 -0.000) 6.306 11.662 ( -11.826 -34.498 0.000) 36.469 11.764 ( -10.869 -33.699 0.000) 35.408 16.232 ( 5.366 3.290 -0.000) 6.294 16.319 ( 6.090 3.024 -0.000) 6.800 17.302 ( -3.115 5.197 -0.000) 6.059 17.410 ( -4.511 2.003 -0.000) 4.936 17.643 ( -7.296 -3.632 0.000) 8.149 17.767 ( -3.065 -6.254 0.000) 6.965 19.241 ( 4.178 3.662 -0.000) 5.556 19.319 ( 4.787 6.347 -0.000) 7.950 28.030 ( 2.685 0.179 -0.000) 2.691 28.305 ( -1.977 2.121 -0.000) 2.899 29.811 ( -5.728 -4.376 0.000) 7.209 30.837 ( -5.392 5.751 -0.000) 7.883 30.882 ( -4.886 -2.648 0.000) 5.557 31.129 ( -14.382 -5.222 0.000) 15.301 32.389 ( 24.123 6.740 -0.000) 25.047 32.879 ( 15.131 10.332 -0.000) 18.321 ======================= Grid point 614 (246/343) ======================= q-point: ( 0.69 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.000 3.088 10.425) 10.873 1.392 ( -0.000 2.708 0.150) 2.712 1.535 ( -0.000 13.951 -2.338) 14.145 1.538 ( -0.000 13.743 -3.881) 14.281 2.529 ( -0.000 -1.442 9.521) 9.630 2.626 ( -0.000 1.113 -8.823) 8.893 2.827 ( -0.000 -5.831 0.198) 5.835 2.830 ( -0.000 -4.896 -0.480) 4.919 3.160 ( -0.000 -4.372 3.440) 5.563 3.196 ( -0.000 -4.879 -3.224) 5.848 3.755 ( -0.000 6.180 -0.298) 6.187 3.757 ( -0.000 4.099 -0.503) 4.130 3.959 ( -0.000 -2.083 11.123) 11.316 4.066 ( -0.000 7.264 -9.349) 11.839 4.408 ( -0.000 46.548 4.368) 46.752 4.436 ( -0.000 27.512 -0.296) 27.513 4.706 ( -0.000 18.955 8.944) 20.960 4.818 ( -0.000 7.652 -11.613) 13.907 7.345 ( 0.000 21.397 1.719) 21.466 7.362 ( -0.000 22.011 -1.590) 22.068 10.099 ( -0.000 -15.739 2.144) 15.884 10.122 ( -0.000 -15.816 -2.234) 15.973 10.834 ( 0.000 0.104 0.213) 0.238 10.837 ( 0.000 0.112 -0.180) 0.213 12.409 ( -0.000 -47.571 2.749) 47.650 12.438 ( -0.000 -47.714 -2.875) 47.800 16.265 ( 0.000 14.484 1.721) 14.586 16.286 ( 0.000 13.615 -2.221) 13.795 17.270 ( -0.000 -10.933 0.365) 10.939 17.274 ( -0.000 -10.933 -0.499) 10.944 17.517 ( -0.000 2.122 0.763) 2.255 17.528 ( -0.000 1.740 -1.363) 2.210 19.293 ( -0.000 8.017 1.196) 8.105 19.300 ( -0.000 7.501 0.043) 7.501 28.114 ( -0.000 1.718 4.037) 4.388 28.158 ( -0.000 1.022 -4.275) 4.396 30.106 ( 0.000 -2.083 5.579) 5.955 30.163 ( 0.000 -3.197 -5.030) 5.960 30.784 ( 0.000 -6.494 11.680) 13.364 30.920 ( 0.000 -8.567 -13.869) 16.301 32.898 ( 0.000 21.789 8.864) 23.523 32.993 ( 0.000 22.050 -9.426) 23.980 ======================= Grid point 615 (247/343) ======================= q-point: (-0.23 -0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 2.044 4.739 -0.000) 5.161 1.467 ( -3.098 2.060 -0.000) 3.720 1.612 ( 0.664 12.219 -0.000) 12.237 1.646 ( -0.093 15.025 -0.000) 15.025 2.516 ( 4.119 -3.206 0.000) 5.220 2.612 ( -1.470 2.938 -0.000) 3.286 2.773 ( 0.879 -4.392 0.000) 4.479 2.781 ( 1.069 -6.363 0.000) 6.452 3.121 ( 2.281 -4.761 0.000) 5.279 3.177 ( -1.764 -1.498 0.000) 2.314 3.589 ( 16.694 -0.602 -0.000) 16.705 3.777 ( 1.656 0.931 -0.000) 1.900 3.843 ( 3.421 -1.449 0.000) 3.715 3.926 ( 4.482 -20.055 0.000) 20.550 4.646 ( -5.377 0.220 -0.000) 5.382 4.882 ( 6.366 40.581 -0.000) 41.077 4.908 ( -17.187 33.904 -0.000) 38.011 5.079 ( -1.802 56.371 -0.000) 56.400 7.493 ( -1.475 25.198 -0.000) 25.241 7.596 ( -6.068 23.872 -0.000) 24.631 9.939 ( 5.432 -20.290 0.000) 21.004 9.941 ( 5.793 -18.774 0.000) 19.648 10.802 ( 3.760 0.038 -0.000) 3.760 10.807 ( 3.287 0.101 -0.000) 3.289 12.064 ( -0.362 -48.854 0.000) 48.855 12.113 ( -3.026 -48.126 0.000) 48.221 16.317 ( 4.071 11.468 -0.000) 12.169 16.372 ( 1.497 11.682 -0.000) 11.777 17.197 ( -1.048 -5.748 0.000) 5.843 17.256 ( -4.924 -10.390 0.000) 11.497 17.507 ( -0.552 2.489 -0.000) 2.550 17.632 ( -6.669 -0.681 0.000) 6.704 19.319 ( 2.846 5.627 -0.000) 6.305 19.335 ( 1.961 7.906 -0.000) 8.146 28.111 ( 2.079 0.965 -0.000) 2.292 28.183 ( -2.342 1.894 -0.000) 3.012 29.914 ( 7.909 -5.309 0.000) 9.526 30.384 ( -15.263 0.396 0.000) 15.269 30.807 ( -1.377 -4.100 0.000) 4.325 30.863 ( -5.276 -6.285 0.000) 8.206 32.933 ( 13.282 16.757 -0.000) 21.383 33.073 ( 5.457 19.221 -0.000) 19.981 ======================= Grid point 623 (248/343) ======================= q-point: ( 0.31 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.468 -0.000 0.015) 0.469 1.280 ( 3.312 0.000 -2.442) 4.115 1.779 ( 0.732 0.000 0.386) 0.827 1.922 ( 0.518 -0.000 -3.624) 3.661 2.320 ( 11.401 0.000 4.297) 12.184 2.571 ( 7.240 -0.000 -3.515) 8.048 2.713 ( -3.226 0.000 0.905) 3.350 2.858 ( 8.025 -0.000 -2.403) 8.377 3.041 ( -3.210 -0.000 0.533) 3.254 3.089 ( -1.553 0.000 -0.636) 1.678 3.327 ( -2.544 0.000 0.671) 2.631 3.366 ( 0.052 -0.000 -1.237) 1.239 3.515 ( 0.488 -0.000 -3.037) 3.076 3.736 ( 6.691 0.000 -9.207) 11.382 4.337 ( 4.701 0.000 4.385) 6.429 4.401 ( 13.716 -0.000 -1.195) 13.768 5.505 ( 5.492 -0.000 7.305) 9.139 5.781 ( 5.136 -0.000 -0.566) 5.167 6.929 ( 13.473 -0.000 5.035) 14.383 7.231 ( 12.138 0.000 -5.050) 13.146 9.894 ( -9.354 -0.000 2.296) 9.632 10.038 ( -9.024 -0.000 -2.495) 9.362 10.307 ( -3.988 -0.000 1.078) 4.131 10.392 ( -2.722 0.000 -1.796) 3.261 12.466 ( -17.736 0.000 1.461) 17.796 12.529 ( -18.806 -0.000 -0.665) 18.817 15.913 ( 4.536 -0.000 1.061) 4.659 15.974 ( 2.354 0.000 -0.964) 2.544 17.415 ( -0.606 -0.000 1.290) 1.425 17.485 ( -1.202 0.000 -1.508) 1.928 17.900 ( -0.657 0.000 1.841) 1.954 18.005 ( -1.153 -0.000 -2.006) 2.314 18.971 ( 4.622 0.000 0.767) 4.685 19.002 ( 3.841 -0.000 -0.123) 3.843 28.030 ( -1.275 0.000 2.146) 2.497 28.160 ( 2.825 -0.000 -2.142) 3.546 30.444 ( -2.958 0.000 0.991) 3.120 30.631 ( 6.587 -0.000 -5.432) 8.538 31.133 ( -2.160 -0.000 5.285) 5.709 31.391 ( -5.848 -0.000 -3.547) 6.840 31.921 ( 2.107 0.000 3.226) 3.853 32.037 ( 7.448 0.000 -1.058) 7.522 ======================= Grid point 637 (249/343) ======================= q-point: ( 0.31 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 5.338 -0.629 1.139) 5.494 1.337 ( 4.112 -0.632 -1.267) 4.349 1.786 ( 0.511 2.832 0.966) 3.035 1.886 ( -1.385 2.023 -2.433) 3.454 2.467 ( 4.788 3.877 5.268) 8.106 2.629 ( 2.995 3.864 -1.376) 5.079 2.710 ( -0.616 -3.424 6.460) 7.337 2.984 ( 5.773 -1.082 -3.920) 7.061 3.002 ( -0.664 2.886 1.244) 3.212 3.075 ( 0.798 -1.231 -1.719) 2.261 3.311 ( 2.568 5.452 -0.462) 6.044 3.363 ( 1.887 7.830 -0.988) 8.114 3.448 ( 2.209 11.553 -2.769) 12.084 3.886 ( 5.413 -20.980 -8.939) 23.439 4.343 ( 1.739 16.418 4.751) 17.179 4.687 ( 9.268 -16.333 -0.588) 18.789 5.644 ( 9.038 7.613 4.664) 12.704 5.832 ( 5.021 9.246 -2.162) 10.741 7.284 ( 17.591 -14.477 3.801) 23.097 7.510 ( 15.694 -17.671 -4.051) 23.979 9.649 ( -13.529 16.259 0.856) 21.169 9.801 ( -13.629 4.841 -1.317) 14.523 10.299 ( 1.817 0.160 1.378) 2.286 10.368 ( 1.127 0.002 -1.531) 1.901 12.152 ( -18.821 -1.791 0.866) 18.925 12.215 ( -18.242 -6.829 0.403) 19.482 16.005 ( 5.096 -0.337 0.438) 5.126 16.026 ( 3.666 -0.591 -0.350) 3.729 17.396 ( -0.942 3.638 -0.450) 3.785 17.458 ( -0.711 -1.403 -1.378) 2.091 17.879 ( -2.042 2.947 1.577) 3.917 17.980 ( -2.348 -4.276 -0.295) 4.887 19.063 ( 5.375 0.547 0.084) 5.404 19.071 ( 4.203 0.524 -0.234) 4.242 28.033 ( 0.063 0.115 3.157) 3.159 28.189 ( 1.917 -0.184 -3.415) 3.920 30.378 ( -5.526 0.611 4.151) 6.938 30.678 ( 1.320 -1.803 -8.685) 8.968 31.118 ( -1.326 2.320 3.765) 4.616 31.309 ( -1.865 -2.399 -3.293) 4.480 31.977 ( 4.789 5.318 5.630) 9.106 32.193 ( 8.664 -3.624 -1.585) 9.524 ======================= Grid point 638 (250/343) ======================= q-point: ( 0.38 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 1.604 -0.000 0.403) 1.654 1.253 ( 3.663 0.000 -2.491) 4.430 1.789 ( 1.077 0.000 1.563) 1.898 1.882 ( 0.985 -0.000 -3.770) 3.897 2.369 ( 11.033 0.000 4.981) 12.106 2.528 ( 8.547 -0.000 -4.451) 9.637 2.729 ( 0.023 0.000 2.163) 2.163 2.829 ( 7.047 -0.000 -3.085) 7.693 3.048 ( -2.996 -0.000 0.847) 3.114 3.081 ( -1.952 0.000 -0.925) 2.160 3.330 ( -2.335 0.000 -0.045) 2.335 3.351 ( -0.292 -0.000 -1.463) 1.492 3.503 ( 1.039 -0.000 0.665) 1.233 3.645 ( 4.536 0.000 -7.917) 9.125 4.371 ( 7.166 0.000 2.276) 7.519 4.394 ( 12.409 -0.000 -0.311) 12.413 5.584 ( 4.459 -0.000 7.540) 8.760 5.764 ( 4.553 -0.000 -2.815) 5.353 6.986 ( 13.169 -0.000 5.693) 14.347 7.174 ( 12.304 0.000 -5.723) 13.570 9.920 ( -9.458 -0.000 2.650) 9.822 10.010 ( -9.332 0.000 -2.815) 9.747 10.320 ( -3.483 -0.000 1.374) 3.744 10.373 ( -2.748 0.000 -1.848) 3.312 12.482 ( -17.745 0.000 1.468) 17.805 12.521 ( -18.416 -0.000 -0.907) 18.439 15.924 ( 4.124 -0.000 1.196) 4.294 15.963 ( 2.752 0.000 -1.127) 2.974 17.429 ( -1.203 -0.000 1.280) 1.756 17.470 ( -1.594 0.000 -1.417) 2.133 17.920 ( -0.329 0.000 1.925) 1.953 17.983 ( -0.683 -0.000 -2.060) 2.170 18.980 ( 4.255 0.000 0.795) 4.329 19.000 ( 3.721 -0.000 -0.355) 3.738 28.054 ( -0.554 0.000 2.460) 2.521 28.136 ( 2.009 -0.000 -2.455) 3.173 30.460 ( -1.266 0.000 2.021) 2.384 30.575 ( 4.512 -0.000 -5.042) 6.766 31.190 ( -3.188 0.000 5.499) 6.356 31.350 ( -5.430 -0.000 -4.298) 6.925 31.953 ( 3.809 -0.000 2.940) 4.812 32.024 ( 6.989 0.000 -1.493) 7.147 ======================= Grid point 651 (251/343) ======================= q-point: ( 0.31 -0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 6.659 0.175 0.141) 6.663 1.416 ( 4.459 -0.045 0.413) 4.478 1.768 ( 0.348 4.152 0.535) 4.200 1.836 ( -1.227 2.527 -0.993) 2.980 2.532 ( 2.788 3.945 6.147) 7.818 2.631 ( 0.232 2.204 -0.460) 2.264 2.755 ( -3.804 -3.834 9.369) 10.814 2.946 ( 0.370 8.685 -0.961) 8.746 3.045 ( 1.200 -2.755 -0.053) 3.005 3.121 ( 1.242 -4.810 -4.213) 6.513 3.294 ( 3.133 11.870 -1.054) 12.322 3.327 ( 9.195 18.633 -1.692) 20.847 3.485 ( 4.569 -2.939 -0.976) 5.520 4.069 ( -1.415 -18.112 -1.876) 18.264 4.272 ( 6.398 15.496 -0.408) 16.770 4.899 ( 1.145 -15.386 -0.375) 15.433 5.743 ( 10.006 18.226 0.815) 20.808 5.817 ( 7.954 22.298 -1.595) 23.728 7.772 ( 19.512 -25.989 0.504) 32.502 7.996 ( 19.435 -31.930 -0.940) 37.392 9.213 ( -16.312 29.048 -0.691) 33.322 9.475 ( -15.735 13.624 0.563) 20.822 10.365 ( 4.927 0.661 0.893) 5.051 10.413 ( 4.214 -0.379 -0.836) 4.312 11.870 ( -17.499 -10.847 0.273) 20.590 11.986 ( -17.141 -15.478 0.914) 23.113 16.091 ( 4.949 0.831 0.009) 5.018 16.114 ( 5.398 -0.790 0.125) 5.457 17.332 ( -1.782 5.005 -1.310) 5.472 17.467 ( 0.654 -2.340 -1.064) 2.653 17.799 ( -4.672 4.157 0.688) 6.291 17.976 ( -2.950 -6.133 1.294) 6.928 19.135 ( 4.178 2.168 -0.038) 4.707 19.151 ( 5.295 1.934 -0.492) 5.658 28.061 ( 0.993 0.053 3.684) 3.816 28.194 ( 1.008 0.347 -4.196) 4.329 30.288 ( -7.544 0.057 6.594) 10.019 30.607 ( -5.341 -3.299 -9.935) 11.753 31.096 ( 0.126 5.090 2.599) 5.716 31.318 ( 1.274 -4.212 -2.888) 5.263 32.087 ( 8.978 6.997 6.215) 12.969 32.372 ( 10.258 -2.428 -2.132) 10.754 ======================= Grid point 652 (252/343) ======================= q-point: ( 0.38 -0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.528 0.452 1.075) 5.650 1.323 ( 4.760 -1.708 -1.216) 5.201 1.799 ( 0.276 3.577 1.454) 3.871 1.861 ( -0.689 1.191 -2.235) 2.624 2.520 ( 5.631 4.320 4.656) 8.488 2.606 ( 4.146 3.400 -2.784) 6.041 2.786 ( 2.024 -2.654 7.739) 8.428 2.935 ( 5.973 -1.410 -5.510) 8.248 3.017 ( -1.191 2.129 1.465) 2.846 3.056 ( 0.005 -0.876 -1.664) 1.880 3.306 ( 1.474 4.992 -0.410) 5.221 3.355 ( 2.500 6.588 -0.626) 7.074 3.426 ( 2.536 15.506 -1.328) 15.768 3.808 ( 5.466 -22.616 -5.514) 23.912 4.381 ( 2.824 18.207 2.331) 18.571 4.684 ( 8.124 -19.251 -0.049) 20.895 5.697 ( 7.165 8.170 5.263) 12.074 5.800 ( 5.180 8.905 -3.842) 10.996 7.323 ( 16.601 -11.943 3.288) 20.713 7.469 ( 16.636 -20.075 -3.441) 26.298 9.656 ( -14.106 18.138 0.559) 22.985 9.790 ( -13.077 2.844 -0.820) 13.408 10.314 ( 1.671 0.440 1.421) 2.237 10.352 ( 1.385 -0.305 -1.503) 2.066 12.159 ( -18.886 -0.862 0.494) 18.912 12.219 ( -17.910 -7.600 0.222) 19.457 16.010 ( 4.633 -0.161 0.395) 4.652 16.022 ( 4.148 -0.762 -0.345) 4.231 17.392 ( -1.681 4.230 -0.292) 4.561 17.447 ( -0.757 -2.210 -0.707) 2.441 17.892 ( -2.101 4.227 0.862) 4.799 17.977 ( -1.553 -5.372 -0.173) 5.595 19.064 ( 4.899 0.587 0.124) 4.936 19.069 ( 4.407 0.496 -0.212) 4.440 28.068 ( 0.571 0.533 3.390) 3.479 28.152 ( 1.239 -0.605 -3.539) 3.798 30.427 ( -3.690 1.641 4.968) 6.403 30.592 ( -0.743 -2.922 -7.402) 7.993 31.157 ( -1.890 3.649 3.265) 5.249 31.275 ( -1.816 -3.751 -2.969) 5.118 32.027 ( 6.780 7.448 3.654) 10.714 32.176 ( 7.642 -5.665 -1.521) 9.634 ======================= Grid point 653 (253/343) ======================= q-point: ( 0.46 0.69 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 2.724 -0.000 1.147) 2.955 1.229 ( 3.484 0.000 -1.981) 4.008 1.812 ( 1.268 0.000 2.648) 2.936 1.844 ( 1.247 -0.000 -3.425) 3.645 2.423 ( 10.493 0.000 5.266) 11.740 2.478 ( 9.664 -0.000 -5.072) 10.914 2.758 ( 3.058 0.000 3.209) 4.433 2.794 ( 5.466 -0.000 -3.519) 6.501 3.059 ( -2.705 -0.000 1.062) 2.906 3.070 ( -2.347 0.000 -1.096) 2.591 3.330 ( -1.631 0.000 0.288) 1.656 3.337 ( -0.884 -0.000 -1.087) 1.401 3.525 ( 1.575 -0.000 3.364) 3.714 3.573 ( 2.701 0.000 -5.667) 6.278 4.387 ( 9.221 0.000 0.854) 9.260 4.392 ( 10.932 -0.000 -0.195) 10.933 5.660 ( 4.039 -0.000 6.706) 7.829 5.722 ( 4.131 -0.000 -5.010) 6.493 7.048 ( 12.847 -0.000 6.040) 14.196 7.112 ( 12.546 0.000 -6.055) 13.931 9.949 ( -9.515 -0.000 2.872) 9.939 9.980 ( -9.486 0.000 -2.936) 9.930 10.336 ( -3.112 -0.000 1.612) 3.504 10.354 ( -2.872 0.000 -1.776) 3.377 12.497 ( -17.858 0.000 1.350) 17.909 12.510 ( -18.087 -0.000 -1.149) 18.124 15.937 ( 3.668 -0.000 1.253) 3.876 15.951 ( 3.200 0.000 -1.228) 3.427 17.442 ( -1.603 -0.000 1.269) 2.044 17.455 ( -1.739 0.000 -1.316) 2.181 17.941 ( -0.223 0.000 1.979) 1.992 17.962 ( -0.351 -0.000 -2.031) 2.061 18.988 ( 3.949 0.000 0.729) 4.015 18.995 ( 3.758 -0.000 -0.573) 3.802 28.081 ( 0.264 0.000 2.623) 2.636 28.109 ( 1.136 -0.000 -2.621) 2.857 30.487 ( 0.556 0.000 3.150) 3.199 30.526 ( 2.488 -0.000 -4.217) 4.896 31.247 ( -4.096 0.000 5.353) 6.740 31.301 ( -4.847 -0.000 -4.927) 6.911 31.982 ( 5.207 -0.000 2.491) 5.772 32.006 ( 6.260 0.000 -1.985) 6.567 ======================= Grid point 665 (254/343) ======================= q-point: ( 0.31 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 3.030 3.864 1.252) 5.067 1.489 ( 3.872 1.595 -1.207) 4.358 1.761 ( 0.922 2.155 0.514) 2.400 1.795 ( -0.672 3.467 -0.408) 3.555 2.576 ( 0.779 3.064 4.712) 5.674 2.584 ( -5.185 0.932 0.605) 5.303 2.694 ( -2.406 6.867 3.011) 7.874 2.917 ( -1.308 -2.351 -0.734) 2.789 3.079 ( -0.945 -3.805 1.203) 4.101 3.109 ( -1.557 -1.396 -1.875) 2.809 3.243 ( 0.282 13.640 -0.934) 13.675 3.448 ( 15.723 10.311 -0.566) 18.811 3.612 ( 5.934 -7.354 0.748) 9.479 4.010 ( -5.394 3.480 2.855) 7.026 4.444 ( 14.102 -3.061 -3.420) 14.830 4.924 ( -7.803 -9.926 -1.277) 12.690 5.723 ( 7.388 27.209 -1.355) 28.227 5.807 ( 12.795 35.312 -0.008) 37.559 8.336 ( 19.184 -32.880 -0.923) 38.079 8.528 ( 12.180 -19.228 -0.071) 22.761 8.696 ( -14.099 33.985 -0.585) 36.798 9.111 ( -10.321 7.960 1.265) 13.095 10.467 ( 6.758 1.029 0.304) 6.843 10.505 ( 5.916 -0.544 -0.191) 5.944 11.710 ( -14.154 -23.676 0.163) 27.585 11.834 ( -16.091 -23.503 0.564) 28.489 16.176 ( 5.755 2.366 0.209) 6.226 16.218 ( 5.967 0.148 -0.018) 5.968 17.258 ( -2.012 4.130 -0.962) 4.693 17.498 ( 1.242 -2.640 -0.891) 3.051 17.668 ( -7.056 3.877 0.500) 8.067 17.964 ( -4.250 -5.979 1.297) 7.449 19.182 ( 3.603 4.329 0.055) 5.632 19.215 ( 4.605 3.735 -0.749) 5.976 28.097 ( 0.678 0.578 3.334) 3.450 28.184 ( 1.209 0.558 -3.818) 4.043 30.183 ( -8.427 -0.595 6.770) 10.826 30.454 ( -9.233 -5.377 -8.633) 13.736 31.079 ( 1.150 6.917 2.242) 7.361 31.366 ( 1.934 -4.526 -1.541) 5.158 32.247 ( 11.992 9.453 3.637) 15.697 32.575 ( 12.850 -0.677 -1.675) 12.976 ======================= Grid point 666 (255/343) ======================= q-point: ( 0.38 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 6.520 0.854 0.027) 6.576 1.419 ( 4.719 -0.422 0.164) 4.741 1.773 ( -0.072 3.633 0.280) 3.645 1.828 ( -0.835 2.356 -0.448) 2.539 2.580 ( 2.804 4.647 3.154) 6.277 2.617 ( 1.126 2.361 -1.710) 3.125 2.855 ( -3.286 0.667 8.491) 9.130 2.923 ( -1.096 5.174 -4.004) 6.634 3.051 ( 2.738 -4.697 1.104) 5.548 3.081 ( 0.603 -5.810 -3.055) 6.592 3.290 ( 3.578 11.854 0.227) 12.384 3.309 ( 9.243 21.266 -1.371) 23.229 3.477 ( 4.925 -4.063 -0.399) 6.397 4.045 ( 2.736 -21.945 -1.617) 22.174 4.276 ( 3.660 21.012 0.501) 21.334 4.897 ( -0.218 -18.138 -0.056) 18.139 5.753 ( 7.330 18.962 0.720) 20.342 5.802 ( 10.041 22.362 -1.026) 24.534 7.775 ( 18.825 -25.080 0.183) 31.359 7.990 ( 20.046 -32.654 -0.343) 38.318 9.208 ( -16.429 29.491 -0.240) 33.759 9.479 ( -15.515 12.935 0.193) 20.201 10.373 ( 4.768 1.103 0.460) 4.916 10.405 ( 4.424 -0.842 -0.439) 4.525 11.872 ( -17.455 -10.508 0.104) 20.374 11.993 ( -17.111 -15.616 0.325) 23.168 16.091 ( 5.068 0.911 0.004) 5.149 16.115 ( 5.332 -0.838 0.045) 5.398 17.322 ( -1.967 4.915 -0.455) 5.313 17.459 ( 0.417 -2.655 -0.389) 2.716 17.804 ( -4.538 4.640 0.247) 6.495 17.985 ( -2.612 -6.261 0.456) 6.800 19.135 ( 4.382 2.363 0.018) 4.979 19.147 ( 4.947 1.771 -0.211) 5.259 28.101 ( 1.329 0.378 3.793) 4.037 28.150 ( 0.553 0.013 -3.979) 4.017 30.354 ( -6.325 1.861 5.070) 8.317 30.516 ( -6.326 -5.178 -6.227) 10.277 31.117 ( 0.413 6.243 1.153) 6.362 31.295 ( 0.907 -5.431 -1.227) 5.641 32.135 ( 9.924 8.967 2.487) 13.604 32.354 ( 9.369 -4.298 -1.090) 10.365 ======================= Grid point 667 (256/343) ======================= q-point: ( 0.46 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 5.512 1.554 -0.000) 5.727 1.315 ( 5.095 -2.811 0.000) 5.819 1.810 ( -0.016 4.773 -0.000) 4.773 1.846 ( -0.230 -0.030 0.000) 0.232 2.556 ( 5.942 5.906 -0.000) 8.378 2.580 ( 4.351 1.824 -0.000) 4.718 2.860 ( 3.003 -1.159 0.000) 3.219 2.873 ( 6.280 -2.784 0.000) 6.870 3.029 ( -1.971 2.398 -0.000) 3.104 3.044 ( 0.361 -1.294 0.000) 1.343 3.303 ( 1.118 5.227 -0.000) 5.346 3.351 ( 2.771 5.004 -0.000) 5.720 3.420 ( 2.528 17.935 -0.000) 18.112 3.778 ( 5.350 -23.424 0.000) 24.027 4.393 ( 3.255 18.718 -0.000) 18.999 4.684 ( 7.742 -20.185 0.000) 21.618 5.747 ( 5.319 8.696 -0.000) 10.194 5.758 ( 6.392 8.442 -0.000) 10.589 7.344 ( 15.830 -9.471 0.000) 18.447 7.448 ( 17.390 -22.499 0.000) 28.436 9.659 ( -14.358 19.001 -0.000) 23.816 9.785 ( -12.834 1.938 -0.000) 12.979 10.325 ( 1.484 1.164 -0.000) 1.886 10.341 ( 1.612 -1.038 0.000) 1.917 12.162 ( -18.914 -0.497 0.000) 18.921 12.220 ( -17.785 -7.908 0.000) 19.464 16.012 ( 4.232 0.086 -0.000) 4.233 16.020 ( 4.556 -1.008 0.000) 4.666 17.390 ( -1.948 4.448 -0.000) 4.856 17.443 ( -0.767 -2.499 0.000) 2.615 17.897 ( -2.160 4.787 -0.000) 5.252 17.976 ( -1.236 -5.872 0.000) 6.001 19.065 ( 4.479 0.670 -0.000) 4.529 19.067 ( 4.730 0.417 -0.000) 4.749 28.095 ( 1.362 1.957 -0.000) 2.385 28.124 ( 0.387 -2.031 0.000) 2.067 30.466 ( -1.890 4.503 -0.000) 4.884 30.540 ( -2.614 -5.816 0.000) 6.376 31.177 ( -2.278 5.483 -0.000) 5.937 31.256 ( -1.599 -5.591 0.000) 5.815 32.048 ( 7.799 9.164 -0.000) 12.034 32.167 ( 6.945 -7.350 0.000) 10.112 ======================= Grid point 678 (257/343) ======================= q-point: ( 0.31 -0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -2.122 8.099 1.701) 8.543 1.492 ( 0.866 3.230 -1.872) 3.833 1.740 ( -1.386 6.661 -0.117) 6.805 1.761 ( -0.649 2.137 0.196) 2.242 2.403 ( -9.848 3.866 1.474) 10.682 2.616 ( 1.907 -0.925 1.183) 2.427 2.677 ( 1.223 0.140 0.220) 1.250 2.860 ( -10.304 -8.296 -1.764) 13.346 3.068 ( -1.721 -0.865 0.061) 1.927 3.084 ( 0.736 5.484 0.197) 5.537 3.167 ( 0.419 2.717 -0.408) 2.780 3.633 ( 11.446 7.992 -0.054) 13.960 3.825 ( 9.428 -11.536 1.583) 14.982 3.948 ( 0.548 4.552 1.138) 4.724 4.696 ( 11.576 -0.541 1.159) 11.646 4.774 ( -9.906 -0.510 -3.398) 10.485 5.628 ( 6.866 34.480 -0.377) 35.159 5.710 ( 8.012 46.881 -0.155) 47.561 8.189 ( -10.875 33.573 -0.327) 35.291 8.353 ( -15.592 29.103 -0.021) 33.017 8.950 ( 19.440 -32.870 -0.402) 38.190 9.340 ( 13.718 -30.929 0.596) 33.840 10.589 ( 7.417 0.712 0.050) 7.452 10.619 ( 6.317 -0.578 0.017) 6.344 11.712 ( -9.615 -36.162 0.346) 37.420 11.760 ( -14.084 -31.667 -0.076) 34.658 16.260 ( 6.455 5.106 0.187) 8.232 16.320 ( 6.255 1.817 0.003) 6.514 17.197 ( -1.877 1.896 -0.388) 2.696 17.499 ( -9.512 -3.002 -0.140) 9.976 17.544 ( 2.232 2.645 0.049) 3.461 17.918 ( -6.112 -5.325 0.705) 8.137 19.196 ( 2.425 6.817 -0.240) 7.240 19.253 ( 3.641 5.354 -0.442) 6.490 28.092 ( -0.844 2.649 0.534) 2.831 28.209 ( 2.663 -0.789 -0.730) 2.871 30.073 ( -7.824 -1.586 4.077) 8.965 30.280 ( -11.102 -7.281 -5.052) 14.205 31.055 ( 1.027 8.483 1.568) 8.688 31.434 ( 2.470 -4.453 0.248) 5.098 32.393 ( 11.676 12.295 0.273) 16.958 32.830 ( 16.920 1.366 -0.273) 16.977 ======================= Grid point 679 (258/343) ======================= q-point: ( 0.38 -0.15 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 3.419 2.904 0.000) 4.486 1.476 ( 3.473 2.882 -0.000) 4.513 1.764 ( 0.649 1.362 -0.000) 1.509 1.792 ( -0.589 3.538 -0.000) 3.587 2.587 ( -4.734 1.048 -0.000) 4.849 2.597 ( 1.543 2.664 -0.000) 3.079 2.716 ( -2.592 13.236 -0.000) 13.488 2.912 ( -3.236 -7.582 0.000) 8.243 3.092 ( -2.044 -2.750 0.000) 3.427 3.093 ( -1.017 -4.480 0.000) 4.594 3.238 ( 0.632 14.748 -0.000) 14.761 3.445 ( 16.683 11.262 -0.000) 20.128 3.617 ( 6.219 -8.117 0.000) 10.226 4.025 ( -5.571 3.126 -0.000) 6.388 4.425 ( 15.396 -1.204 0.000) 15.443 4.917 ( -9.084 -11.724 0.000) 14.832 5.716 ( 7.573 27.477 -0.000) 28.502 5.807 ( 12.810 35.577 -0.000) 37.813 8.331 ( 18.846 -32.597 0.000) 37.653 8.528 ( 12.258 -19.185 0.000) 22.766 8.693 ( -13.991 34.035 -0.000) 36.798 9.118 ( -10.159 7.569 -0.000) 12.668 10.469 ( 6.712 1.167 -0.000) 6.813 10.504 ( 5.969 -0.699 0.000) 6.010 11.711 ( -14.095 -23.616 0.000) 27.502 11.837 ( -16.171 -23.485 0.000) 28.514 16.177 ( 5.859 2.478 -0.000) 6.362 16.218 ( 5.914 0.069 -0.000) 5.915 17.253 ( -2.023 4.039 -0.000) 4.517 17.493 ( 1.090 -2.954 0.000) 3.149 17.671 ( -6.862 4.260 -0.000) 8.077 17.971 ( -4.197 -6.000 0.000) 7.322 19.182 ( 3.642 4.586 -0.000) 5.856 19.211 ( 4.462 3.537 -0.000) 5.694 28.124 ( -0.720 1.246 -0.000) 1.439 28.155 ( 2.594 -0.123 0.000) 2.597 30.228 ( -8.059 0.985 -0.000) 8.119 30.399 ( -9.538 -6.989 0.000) 11.824 31.091 ( 1.521 7.427 -0.000) 7.581 31.358 ( 2.131 -5.068 0.000) 5.498 32.267 ( 11.702 10.477 -0.000) 15.706 32.566 ( 12.673 -1.690 0.000) 12.785 ======================= Grid point 691 (259/343) ======================= q-point: ( 0.31 -0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -10.800 13.798 -0.000) 17.523 1.450 ( -5.024 5.901 -0.000) 7.750 1.630 ( -0.372 10.701 -0.000) 10.708 1.732 ( -1.501 1.647 -0.000) 2.228 2.244 ( -9.604 -6.798 0.000) 11.766 2.657 ( -2.928 -4.999 0.000) 5.794 2.716 ( 1.614 -2.879 0.000) 3.301 2.721 ( -4.122 -4.238 0.000) 5.912 3.043 ( -1.533 -0.867 0.000) 1.761 3.088 ( 1.387 0.599 -0.000) 1.511 3.186 ( 1.053 -2.849 0.000) 3.037 3.749 ( 7.282 5.317 -0.000) 9.016 3.953 ( 2.776 5.034 -0.000) 5.749 4.081 ( 8.619 -11.184 0.000) 14.120 4.513 ( -12.104 8.052 -0.000) 14.538 4.909 ( 13.818 13.653 -0.000) 19.425 5.398 ( -1.644 56.908 -0.000) 56.932 5.459 ( 2.444 36.077 -0.000) 36.160 7.828 ( -4.126 29.922 -0.000) 30.205 7.856 ( -14.473 29.750 -0.000) 33.083 9.477 ( 14.923 -27.493 0.000) 31.282 9.764 ( 9.960 -25.234 0.000) 27.128 10.710 ( 6.233 0.212 -0.000) 6.236 10.730 ( 5.548 -0.531 0.000) 5.573 11.799 ( -9.772 -40.578 0.000) 41.739 11.886 ( -4.263 -46.216 0.000) 46.412 16.327 ( 6.605 9.372 -0.000) 11.465 16.406 ( 5.771 4.785 -0.000) 7.497 17.168 ( -0.970 -1.775 0.000) 2.023 17.343 ( -9.287 -3.872 0.000) 10.062 17.581 ( 2.021 0.154 -0.000) 2.027 17.830 ( -7.925 -4.600 0.000) 9.163 19.169 ( 1.123 9.155 -0.000) 9.223 19.263 ( 2.500 6.835 -0.000) 7.278 28.052 ( -0.951 3.835 -0.000) 3.951 28.265 ( 2.602 -1.451 0.000) 2.979 29.978 ( -5.870 -3.345 0.000) 6.756 30.118 ( -11.400 -7.468 0.000) 13.628 31.007 ( 0.373 9.761 -0.000) 9.768 31.514 ( 2.619 -4.355 0.000) 5.082 32.481 ( 8.850 14.508 -0.000) 16.994 33.154 ( 21.107 2.411 -0.000) 21.244 ======================= Grid point 704 (260/343) ======================= q-point: ( 0.31 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.000 16.800 -0.000) 16.800 1.252 ( 0.000 17.418 -0.000) 17.418 1.634 ( 0.000 0.470 -0.000) 0.470 1.694 ( 0.000 2.832 -0.000) 2.832 1.967 ( -0.000 -11.539 0.000) 11.539 2.509 ( -0.000 -11.724 0.000) 11.724 2.741 ( -0.000 -6.021 0.000) 6.021 2.748 ( -0.000 -3.186 0.000) 3.186 3.014 ( -0.000 -0.756 0.000) 0.756 3.118 ( 0.000 2.224 -0.000) 2.224 3.208 ( -0.000 -4.388 0.000) 4.388 3.923 ( 0.000 5.079 -0.000) 5.079 4.009 ( -0.000 -6.393 0.000) 6.393 4.015 ( 0.000 4.563 -0.000) 4.563 4.484 ( 0.000 0.457 -0.000) 0.457 5.216 ( -0.000 -6.219 0.000) 6.219 5.307 ( 0.000 80.995 -0.000) 80.995 5.496 ( 0.000 70.991 -0.000) 70.991 7.558 ( 0.000 22.843 -0.000) 22.843 7.775 ( 0.000 24.286 -0.000) 24.286 9.778 ( -0.000 -18.573 0.000) 18.573 9.954 ( -0.000 -18.931 0.000) 18.931 10.827 ( 0.000 0.270 -0.000) 0.270 10.844 ( -0.000 -0.297 0.000) 0.297 11.603 ( -0.000 -52.651 0.000) 52.651 11.811 ( -0.000 -54.540 0.000) 54.540 16.499 ( 0.000 13.190 -0.000) 13.190 16.543 ( 0.000 9.043 -0.000) 9.043 17.129 ( -0.000 -9.101 0.000) 9.101 17.154 ( -0.000 -8.844 0.000) 8.844 17.616 ( -0.000 -1.082 0.000) 1.082 17.622 ( 0.000 0.447 -0.000) 0.447 19.187 ( 0.000 10.133 -0.000) 10.133 19.307 ( 0.000 6.788 -0.000) 6.788 28.036 ( 0.000 4.725 -0.000) 4.725 28.316 ( -0.000 -2.281 0.000) 2.281 29.866 ( -0.000 -4.541 0.000) 4.541 29.873 ( -0.000 -3.137 0.000) 3.137 31.012 ( 0.000 10.605 -0.000) 10.605 31.567 ( -0.000 -5.057 0.000) 5.057 32.654 ( 0.000 16.936 -0.000) 16.936 33.672 ( -0.000 -8.951 0.000) 8.951 ======================= Grid point 705 (261/343) ======================= q-point: ( 0.38 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -10.855 15.774 0.800) 19.165 1.419 ( -4.535 10.227 1.030) 11.235 1.687 ( -2.036 9.205 0.774) 9.459 1.720 ( -1.050 1.524 0.023) 1.851 1.977 ( -9.919 -11.717 0.737) 15.370 2.485 ( -5.669 -12.942 5.639) 15.213 2.691 ( 1.108 -5.000 0.012) 5.121 2.713 ( 0.868 -3.983 0.183) 4.081 3.022 ( -0.760 0.511 0.258) 0.952 3.132 ( 1.082 4.628 -1.068) 4.871 3.179 ( 0.045 -2.245 -0.122) 2.248 3.868 ( 4.321 -0.881 -0.431) 4.431 4.006 ( -0.465 -2.872 -3.563) 4.600 4.037 ( -0.247 -4.828 2.248) 5.332 4.498 ( 0.345 9.722 -0.353) 9.734 5.110 ( 6.122 -5.389 -0.514) 8.172 5.860 ( 1.141 70.923 0.133) 70.932 5.920 ( 7.187 61.566 0.344) 61.985 7.821 ( -10.638 25.186 0.193) 27.341 7.961 ( -2.533 23.969 -0.149) 24.103 9.541 ( 11.259 -21.914 0.236) 24.638 9.751 ( 7.134 -21.960 -0.314) 23.092 10.799 ( 3.330 0.237 0.024) 3.338 10.808 ( 3.379 -1.096 0.016) 3.553 11.316 ( -8.634 -46.612 0.125) 47.405 11.458 ( -4.091 -51.740 -0.110) 51.901 16.513 ( 6.650 8.712 -0.600) 10.976 16.546 ( 5.513 5.754 -0.039) 7.968 17.124 ( -2.391 -3.774 0.075) 4.468 17.151 ( -7.990 -5.095 -0.082) 9.476 17.612 ( 1.118 0.271 -0.355) 1.204 17.667 ( -6.039 -2.705 -0.442) 6.632 19.251 ( 0.712 8.307 1.062) 8.405 19.340 ( 1.175 5.300 0.444) 5.447 28.073 ( -0.241 4.532 0.205) 4.543 28.285 ( 1.316 -2.398 -0.353) 2.759 29.861 ( -3.133 -3.302 -2.337) 5.117 29.925 ( -7.008 -3.993 4.017) 9.011 31.077 ( 0.264 9.885 -2.336) 10.161 31.508 ( 1.280 -5.291 -3.145) 6.287 32.730 ( 5.747 16.389 2.439) 17.538 33.466 ( 14.121 -6.574 -0.873) 15.601 ======================= Grid point 706 (262/343) ======================= q-point: ( 0.46 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -7.023 11.648 -0.776) 13.623 1.522 ( -1.404 4.382 1.240) 4.765 1.753 ( -1.665 1.444 0.160) 2.210 1.781 ( 0.205 7.072 1.230) 7.181 2.156 ( -15.523 -3.125 -3.718) 16.265 2.578 ( -7.723 -8.181 4.810) 12.236 2.643 ( -0.147 -5.116 1.087) 5.232 2.687 ( -2.186 -3.597 2.892) 5.107 3.043 ( -0.850 0.464 0.345) 1.028 3.119 ( 1.281 -0.387 0.206) 1.354 3.204 ( -0.900 8.274 -1.595) 8.474 3.769 ( 3.379 -7.686 -0.914) 8.445 3.914 ( 6.671 -1.825 -2.759) 7.446 3.994 ( 2.525 1.336 -1.497) 3.225 4.593 ( -3.742 4.097 -2.074) 5.924 4.943 ( 8.633 -3.726 3.870) 10.169 6.114 ( 13.597 47.705 0.443) 49.607 6.224 ( 8.870 53.459 -0.024) 54.189 8.229 ( -8.896 25.784 -0.023) 27.275 8.263 ( -16.002 25.337 0.456) 29.971 9.090 ( 19.324 -25.472 0.569) 31.978 9.375 ( 14.300 -28.080 -0.914) 31.524 10.715 ( 6.062 0.350 -0.114) 6.073 10.722 ( 5.342 -0.694 0.120) 5.389 11.237 ( -13.897 -37.422 -1.477) 39.946 11.269 ( -12.542 -37.845 1.252) 39.889 16.417 ( 7.795 3.909 -1.053) 8.784 16.455 ( 7.325 2.317 0.351) 7.691 17.175 ( -3.225 2.122 0.581) 3.904 17.301 ( -10.514 -2.332 -0.030) 10.770 17.591 ( 1.363 1.502 -0.337) 2.056 17.755 ( -6.875 -5.018 -1.090) 8.581 19.284 ( 1.985 5.978 0.595) 6.327 19.346 ( 2.416 3.993 1.163) 4.810 28.106 ( 0.023 3.502 -0.216) 3.509 28.241 ( 1.614 -1.862 0.301) 2.482 29.903 ( -6.064 -2.311 -5.534) 8.529 30.085 ( -10.226 -4.124 8.040) 13.647 31.116 ( 0.761 8.457 -4.348) 9.540 31.428 ( 1.270 -5.000 -3.187) 6.064 32.698 ( 11.518 13.636 1.839) 17.944 33.140 ( 17.282 -3.529 0.785) 17.656 ======================= Grid point 707 (263/343) ======================= q-point: ( 0.54 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 1.032 5.090 -1.281) 5.349 1.560 ( 1.634 2.446 0.575) 2.997 1.798 ( 1.342 2.273 1.319) 2.951 1.803 ( -1.185 2.408 1.323) 2.992 2.374 ( -13.742 -0.582 -11.063) 17.651 2.585 ( 0.688 -0.205 -2.519) 2.619 2.634 ( -1.617 -4.032 -0.057) 4.344 2.848 ( -9.399 -0.420 9.025) 13.037 3.053 ( -0.113 -0.771 0.051) 0.781 3.101 ( 0.612 -1.224 1.940) 2.374 3.298 ( -2.598 9.848 -2.135) 10.406 3.635 ( 3.288 -9.195 -0.679) 9.788 3.769 ( 10.815 10.196 -1.819) 14.974 3.960 ( 0.364 0.066 -2.810) 2.834 4.557 ( 3.365 -8.645 -6.926) 11.577 4.875 ( 2.707 1.254 11.648) 12.023 6.152 ( 14.835 34.558 1.140) 37.625 6.307 ( 15.378 32.621 -0.349) 36.066 8.471 ( 12.678 -14.213 2.199) 19.173 8.592 ( 3.279 -4.476 0.256) 5.554 8.703 ( -5.070 17.868 -0.244) 18.575 8.983 ( -1.232 -8.553 -1.928) 8.854 10.598 ( 7.218 0.590 -0.371) 7.252 10.615 ( 6.333 -0.089 0.264) 6.340 11.266 ( -16.429 -23.668 -0.875) 28.825 11.349 ( -18.208 -24.335 0.025) 30.393 16.299 ( 6.822 1.540 -1.033) 7.069 16.338 ( 7.140 0.610 0.438) 7.180 17.261 ( -2.638 5.326 1.445) 6.116 17.434 ( -5.655 -5.932 1.448) 8.323 17.615 ( -2.666 6.675 -1.452) 7.333 17.818 ( -5.784 -6.650 -1.823) 9.000 19.270 ( 3.250 3.432 -0.303) 4.736 19.323 ( 3.868 2.880 1.716) 5.118 28.106 ( 1.296 1.209 -2.319) 2.918 28.221 ( 0.590 -0.201 2.908) 2.974 29.983 ( -8.233 -1.398 -7.584) 11.281 30.298 ( -10.697 -2.988 10.525) 15.301 31.125 ( 1.027 5.909 -5.366) 8.048 31.370 ( 0.686 -3.782 -0.141) 3.847 32.531 ( 15.287 8.318 -3.336) 17.720 32.842 ( 15.557 -1.337 4.019) 16.124 ======================= Grid point 708 (264/343) ======================= q-point: ( 0.62 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 4.618 1.463 -0.518) 4.872 1.499 ( 5.109 0.176 -0.839) 5.180 1.804 ( 0.593 3.222 1.354) 3.545 1.832 ( -0.350 0.075 1.363) 1.409 2.476 ( -6.255 -0.869 -18.398) 19.451 2.581 ( -2.264 0.498 -1.242) 2.630 2.645 ( -2.065 -2.087 -0.486) 2.976 3.005 ( -1.632 3.893 2.829) 5.082 3.044 ( 1.114 0.502 0.380) 1.280 3.102 ( -1.535 -4.399 5.254) 7.022 3.368 ( -1.249 3.483 -1.432) 3.967 3.554 ( 3.603 -1.093 2.169) 4.346 3.668 ( 10.273 17.002 -0.759) 19.879 3.942 ( -1.346 -8.267 0.025) 8.376 4.398 ( 2.758 -3.236 -7.056) 8.238 4.887 ( 3.698 -2.464 10.667) 11.556 6.094 ( 14.704 19.222 0.914) 24.218 6.178 ( 15.547 12.933 0.311) 20.226 8.004 ( 22.005 -10.642 0.072) 24.444 8.150 ( 19.877 -23.149 0.421) 30.514 9.110 ( -15.803 20.408 0.431) 25.815 9.243 ( -16.863 3.729 -0.447) 17.276 10.471 ( 6.887 0.344 -0.780) 6.940 10.507 ( 5.889 -0.006 0.634) 5.923 11.471 ( -19.322 -7.621 -1.129) 20.802 11.547 ( -19.219 -13.337 -0.551) 23.399 16.190 ( 5.729 0.494 -0.730) 5.797 16.219 ( 6.659 -0.084 0.305) 6.667 17.353 ( -1.725 6.398 2.200) 6.982 17.446 ( -0.893 -6.186 2.301) 6.660 17.742 ( -5.461 7.319 -1.960) 9.340 17.849 ( -4.701 -7.312 -2.312) 8.995 19.220 ( 3.993 1.395 -0.348) 4.244 19.264 ( 5.341 1.396 1.375) 5.689 28.065 ( 1.645 0.083 -3.259) 3.651 28.234 ( 0.518 0.306 4.150) 4.193 30.092 ( -9.331 -0.551 -7.683) 12.099 30.518 ( -8.983 -1.403 11.419) 14.596 31.113 ( 0.542 2.728 -4.771) 5.523 31.344 ( 1.196 -1.862 3.310) 3.981 32.275 ( 13.477 3.150 -8.324) 16.151 32.602 ( 14.023 -0.189 4.817) 14.828 ======================= Grid point 709 (265/343) ======================= q-point: ( 0.69 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 7.281 -0.000 -1.517) 7.438 1.420 ( 4.710 0.000 0.268) 4.717 1.807 ( 1.215 0.000 0.173) 1.227 1.863 ( -2.482 0.000 1.623) 2.965 2.452 ( -2.573 -0.000 -13.459) 13.703 2.618 ( -2.502 -0.000 -5.317) 5.876 2.665 ( -0.884 0.000 0.146) 0.896 3.013 ( 1.566 -0.000 -0.273) 1.589 3.032 ( -0.094 0.000 1.401) 1.404 3.125 ( 1.845 0.000 5.043) 5.370 3.390 ( 1.452 0.000 1.564) 2.134 3.467 ( 5.907 0.000 1.389) 6.068 3.597 ( 6.256 -0.000 -1.208) 6.372 3.907 ( 1.703 0.000 8.772) 8.935 4.357 ( -2.144 -0.000 -10.227) 10.449 4.810 ( 8.836 0.000 8.032) 11.941 5.879 ( 15.139 -0.000 -1.582) 15.221 6.013 ( 9.667 0.000 1.664) 9.810 7.562 ( 21.713 -0.000 -3.089) 21.931 7.749 ( 16.802 0.000 3.288) 17.120 9.464 ( -14.390 -0.000 -1.169) 14.437 9.550 ( -16.712 0.000 1.747) 16.803 10.358 ( 5.197 -0.000 -1.096) 5.311 10.422 ( 3.964 0.000 1.053) 4.102 11.796 ( -19.873 -0.000 -1.739) 19.949 11.840 ( -19.648 -0.000 -0.285) 19.650 16.097 ( 4.574 -0.000 -0.238) 4.580 16.105 ( 6.189 0.000 0.010) 6.189 17.419 ( 0.404 0.000 1.541) 1.593 17.435 ( -1.439 0.000 2.656) 3.021 17.843 ( -2.675 -0.000 -2.857) 3.914 17.889 ( -5.385 -0.000 -0.722) 5.433 19.150 ( 4.264 0.000 0.021) 4.264 19.171 ( 6.140 0.000 0.672) 6.177 28.024 ( 0.939 -0.000 -3.232) 3.366 28.240 ( 1.458 0.000 3.955) 4.215 30.219 ( -9.033 -0.000 -5.872) 10.774 30.698 ( -4.596 0.000 11.069) 11.986 31.098 ( -0.170 -0.000 -3.717) 3.721 31.328 ( 2.072 0.000 4.578) 5.025 32.048 ( 7.292 -0.000 -9.790) 12.207 32.387 ( 12.410 0.000 3.165) 12.807 ======================= Grid point 719 (266/343) ======================= q-point: ( 0.38 0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 16.635 4.309) 17.184 1.272 ( 0.000 16.747 3.491) 17.107 1.642 ( 0.000 1.276 1.572) 2.025 1.694 ( 0.000 3.049 0.015) 3.049 1.984 ( -0.000 -11.369 3.193) 11.808 2.580 ( -0.000 -13.118 12.751) 18.294 2.741 ( -0.000 -6.034 -0.075) 6.035 2.750 ( -0.000 -3.330 0.425) 3.357 3.017 ( -0.000 -0.749 0.527) 0.916 3.105 ( -0.000 1.798 -2.306) 2.924 3.207 ( -0.000 -4.351 -0.193) 4.355 3.917 ( 0.000 4.932 -1.205) 5.077 3.968 ( -0.000 -0.400 -4.147) 4.166 4.059 ( 0.000 -2.667 4.515) 5.244 4.472 ( -0.000 1.389 -2.155) 2.564 5.191 ( -0.000 0.767 -4.156) 4.226 5.325 ( 0.000 73.878 2.815) 73.932 5.498 ( 0.000 70.825 0.304) 70.825 7.562 ( 0.000 22.756 0.802) 22.770 7.772 ( 0.000 24.219 -0.610) 24.227 9.780 ( -0.000 -18.595 0.387) 18.599 9.951 ( -0.000 -18.983 -0.492) 18.990 10.827 ( 0.000 0.267 0.078) 0.278 10.844 ( -0.000 -0.261 -0.028) 0.262 11.605 ( -0.000 -52.546 0.476) 52.549 11.808 ( -0.000 -54.441 -0.509) 54.443 16.493 ( 0.000 13.208 -0.953) 13.242 16.539 ( 0.000 9.083 -0.703) 9.110 17.129 ( -0.000 -9.021 -0.133) 9.022 17.154 ( -0.000 -8.814 -0.114) 8.815 17.609 ( -0.000 -0.616 -1.362) 1.494 17.618 ( -0.000 0.473 -0.611) 0.773 19.205 ( 0.000 9.434 3.182) 9.956 19.311 ( 0.000 6.758 0.819) 6.808 28.039 ( 0.000 4.624 0.570) 4.659 28.311 ( -0.000 -2.173 -1.029) 2.404 29.879 ( -0.000 -3.082 1.139) 3.285 29.881 ( -0.000 -4.924 2.876) 5.702 30.988 ( 0.000 10.449 -4.452) 11.358 31.528 ( -0.000 -5.055 -7.102) 8.717 32.684 ( 0.000 16.882 5.501) 17.756 33.647 ( -0.000 -7.000 -4.497) 8.320 ======================= Grid point 720 (267/343) ======================= q-point: ( 0.46 0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -8.893 15.654 2.777) 18.216 1.439 ( -4.180 8.680 2.392) 9.926 1.704 ( -1.252 9.480 2.263) 9.826 1.722 ( -0.766 2.647 0.488) 2.799 1.997 ( -7.857 -10.893 3.322) 13.835 2.588 ( -3.809 -12.970 12.300) 18.277 2.693 ( 0.482 -5.785 0.948) 5.882 2.718 ( 0.459 -4.481 1.054) 4.626 3.027 ( -0.757 0.425 0.756) 1.151 3.108 ( 0.767 5.462 -3.486) 6.524 3.178 ( -0.036 -3.103 -0.045) 3.103 3.859 ( 3.876 -1.600 -1.282) 4.385 3.964 ( 0.063 -1.115 -4.367) 4.507 4.050 ( 0.737 -7.415 0.059) 7.452 4.493 ( -0.254 9.789 -0.348) 9.798 5.099 ( 4.414 -4.835 -1.579) 6.734 5.863 ( 2.251 70.420 0.418) 70.457 5.926 ( 6.513 61.766 0.895) 62.115 7.825 ( -10.267 25.139 0.537) 27.160 7.958 ( -2.997 23.871 -0.426) 24.062 9.546 ( 11.120 -22.006 0.702) 24.666 9.744 ( 7.227 -22.017 -0.926) 23.191 10.799 ( 3.371 0.223 0.068) 3.379 10.808 ( 3.405 -0.929 0.042) 3.529 11.319 ( -8.306 -46.798 0.384) 47.531 11.456 ( -4.261 -51.384 -0.332) 51.561 16.502 ( 6.538 8.214 -1.391) 10.590 16.544 ( 5.291 6.338 -0.311) 8.262 17.126 ( -2.626 -3.804 0.206) 4.627 17.150 ( -7.901 -4.997 -0.212) 9.351 17.605 ( 0.828 0.562 -1.040) 1.443 17.659 ( -5.726 -2.472 -1.082) 6.330 19.272 ( 1.166 7.415 2.709) 7.980 19.350 ( 1.098 5.369 1.266) 5.624 28.077 ( -0.185 4.275 0.592) 4.319 28.278 ( 1.084 -2.131 -1.005) 2.594 29.838 ( -1.018 -3.485 -1.755) 4.033 29.983 ( -8.756 -4.123 6.662) 11.749 31.031 ( 0.040 9.481 -6.323) 11.396 31.445 ( 0.193 -5.051 -8.570) 9.949 32.778 ( 6.582 15.920 6.364) 18.365 33.449 ( 13.457 -4.249 -2.316) 14.301 ======================= Grid point 721 (268/343) ======================= q-point: ( 0.54 0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -5.813 11.568 -0.508) 12.956 1.536 ( -1.764 3.472 1.400) 4.139 1.754 ( -1.599 2.533 0.012) 2.995 1.799 ( 0.829 7.934 2.067) 8.241 2.124 ( -11.470 -6.070 -1.560) 13.071 2.602 ( 0.737 -2.879 0.264) 2.983 2.658 ( 0.201 -4.960 0.903) 5.046 2.758 ( -8.040 -7.107 10.205) 14.809 3.049 ( -0.772 0.074 0.649) 1.011 3.117 ( 0.713 3.533 -1.084) 3.763 3.185 ( -1.519 4.326 -1.353) 4.780 3.753 ( 2.920 -9.498 -2.116) 10.159 3.875 ( 6.919 1.287 -4.273) 8.233 3.969 ( 2.967 0.737 -3.245) 4.458 4.568 ( -2.228 -0.102 -2.240) 3.161 4.994 ( 4.785 -0.692 5.492) 7.317 6.120 ( 13.256 48.133 0.836) 49.932 6.223 ( 9.243 52.841 -0.102) 53.643 8.229 ( -10.180 26.772 0.011) 28.642 8.269 ( -15.160 24.734 0.739) 29.020 9.099 ( 19.200 -25.999 1.153) 32.340 9.361 ( 14.635 -28.117 -1.763) 31.747 10.714 ( 6.119 0.193 -0.143) 6.124 10.723 ( 5.428 -0.406 0.157) 5.445 11.222 ( -13.409 -38.153 -1.472) 40.468 11.282 ( -12.733 -37.049 1.080) 39.191 16.403 ( 7.478 3.436 -1.397) 8.347 16.458 ( 7.345 2.816 0.210) 7.870 17.184 ( -3.612 2.163 1.103) 4.352 17.300 ( -10.762 -1.994 -0.138) 10.946 17.586 ( 1.272 1.248 -0.574) 1.873 17.739 ( -6.571 -4.825 -1.901) 8.371 19.293 ( 2.553 5.035 1.077) 5.747 19.362 ( 2.400 4.389 1.914) 5.356 28.102 ( 0.650 2.762 -0.419) 2.869 28.245 ( 0.663 -1.102 0.561) 1.404 29.847 ( -4.515 -2.783 -4.873) 7.203 30.180 ( -11.201 -3.772 9.845) 15.382 31.055 ( 0.097 7.584 -6.980) 10.308 31.376 ( -1.046 -4.289 -6.760) 8.074 32.725 ( 13.899 12.072 3.287) 18.700 33.152 ( 16.436 -0.974 1.352) 16.520 ======================= Grid point 722 (269/343) ======================= q-point: ( 0.62 0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.979 5.261 -0.947) 5.435 1.565 ( 1.785 0.930 0.418) 2.055 1.809 ( 0.877 5.859 0.324) 5.933 1.820 ( 0.194 2.605 1.850) 3.201 2.248 ( -10.269 -5.807 -11.963) 16.802 2.568 ( 0.789 -0.324 -0.638) 1.065 2.634 ( -0.761 -3.199 -0.197) 3.294 2.929 ( -6.217 2.024 5.890) 8.800 3.056 ( 0.206 -0.040 0.241) 0.320 3.126 ( -0.696 -1.485 3.012) 3.429 3.277 ( -4.127 6.324 -1.328) 7.667 3.625 ( 2.564 -5.637 -1.241) 6.316 3.747 ( 9.772 10.094 -2.284) 14.233 3.922 ( 0.597 0.944 -4.404) 4.544 4.496 ( 2.106 -12.531 -4.666) 13.536 4.995 ( 2.673 3.386 10.956) 11.775 6.167 ( 14.598 34.314 1.703) 37.329 6.302 ( 15.275 32.765 -0.610) 36.156 8.501 ( 13.944 -16.501 3.401) 21.870 8.595 ( 3.942 -4.224 0.388) 5.790 8.700 ( -6.663 18.513 -0.298) 19.677 8.956 ( -1.714 -7.373 -3.109) 8.183 10.593 ( 7.357 0.471 -0.403) 7.383 10.618 ( 6.266 0.088 0.257) 6.272 11.255 ( -16.851 -24.194 -1.146) 29.506 11.349 ( -17.422 -23.950 -0.045) 29.616 16.288 ( 6.521 1.265 -1.109) 6.734 16.342 ( 7.218 0.841 0.310) 7.274 17.281 ( -2.907 5.539 2.289) 6.661 17.453 ( -6.855 -5.531 2.076) 9.050 17.596 ( -1.894 6.041 -2.095) 6.669 17.794 ( -5.558 -6.494 -2.801) 8.995 19.269 ( 3.430 2.903 0.075) 4.494 19.342 ( 4.146 3.153 1.854) 5.529 28.082 ( 1.974 0.670 -2.150) 2.995 28.252 ( -0.316 0.366 2.980) 3.019 29.908 ( -7.561 -1.815 -6.526) 10.151 30.414 ( -10.951 -2.541 11.459) 16.053 31.064 ( -0.094 4.793 -5.992) 7.674 31.355 ( -2.154 -2.762 -3.014) 4.622 32.498 ( 18.162 6.092 -2.801) 19.361 32.886 ( 15.532 1.223 4.261) 16.152 ======================= Grid point 723 (270/343) ======================= q-point: ( 0.69 0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 5.231 -0.164 -0.892) 5.310 1.491 ( 4.499 1.162 -0.496) 4.673 1.819 ( 1.216 4.548 1.299) 4.884 1.847 ( 0.219 1.028 1.434) 1.778 2.275 ( -7.128 -3.915 -19.097) 20.756 2.572 ( -1.095 0.096 -0.595) 1.250 2.639 ( -1.822 -1.348 -0.759) 2.390 3.021 ( -0.202 3.375 0.668) 3.446 3.044 ( 1.237 0.543 -0.241) 1.373 3.164 ( -2.017 -3.168 6.026) 7.100 3.365 ( -3.036 2.094 0.853) 3.785 3.573 ( 4.162 0.085 1.507) 4.428 3.658 ( 9.133 15.482 -1.117) 18.010 3.932 ( -3.762 -0.667 -1.921) 4.277 4.332 ( 2.087 -11.693 -5.327) 13.017 4.999 ( 5.952 0.869 10.208) 11.848 6.105 ( 15.474 17.701 1.136) 23.539 6.181 ( 14.949 14.357 0.227) 20.728 8.005 ( 23.295 -12.964 0.023) 26.659 8.155 ( 18.889 -21.497 0.562) 28.622 9.116 ( -15.774 19.061 0.571) 24.748 9.238 ( -17.395 5.571 -0.597) 18.275 10.463 ( 7.075 0.259 -0.703) 7.115 10.513 ( 5.680 0.105 0.532) 5.706 11.458 ( -19.527 -8.846 -1.304) 21.477 11.540 ( -18.829 -12.387 -0.715) 22.550 16.182 ( 5.415 0.347 -0.700) 5.471 16.221 ( 6.791 0.026 0.209) 6.794 17.381 ( -1.607 6.611 3.064) 7.462 17.474 ( -0.509 -5.968 3.040) 6.717 17.718 ( -5.977 6.753 -2.625) 9.392 17.820 ( -5.001 -7.128 -3.207) 9.279 19.218 ( 3.896 1.237 -0.064) 4.088 19.279 ( 5.732 1.482 1.275) 6.056 28.034 ( 1.920 0.014 -2.632) 3.257 28.276 ( 0.306 0.389 3.702) 3.735 30.019 ( -9.634 -0.747 -6.196) 11.479 30.639 ( -8.756 -1.152 11.463) 14.471 31.066 ( -0.412 2.083 -4.242) 4.744 31.371 ( -1.225 -1.186 1.691) 2.401 32.188 ( 15.532 2.141 -7.989) 17.598 32.647 ( 14.869 0.809 3.803) 15.369 ======================= Grid point 724 (271/343) ======================= q-point: ( 0.77 0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 7.340 -0.000 -1.478) 7.487 1.422 ( 4.226 0.000 0.045) 4.226 1.812 ( 2.021 0.000 0.668) 2.129 1.879 ( -2.697 0.000 1.397) 3.037 2.302 ( -8.176 -0.000 -14.075) 16.277 2.578 ( -0.261 -0.000 -2.676) 2.688 2.663 ( -1.363 -0.000 -0.526) 1.461 3.011 ( 1.438 -0.000 -0.071) 1.439 3.047 ( -0.503 0.000 1.351) 1.441 3.171 ( 3.135 0.000 3.734) 4.876 3.415 ( 1.758 0.000 2.894) 3.386 3.478 ( 5.949 0.000 0.804) 6.003 3.590 ( 4.291 0.000 -0.041) 4.291 3.991 ( -0.833 0.000 6.870) 6.920 4.248 ( -1.827 -0.000 -10.401) 10.561 4.894 ( 11.095 0.000 7.778) 13.550 5.866 ( 16.315 -0.000 -0.839) 16.337 6.025 ( 9.853 0.000 0.654) 9.875 7.532 ( 22.487 -0.000 -2.546) 22.631 7.781 ( 16.014 0.000 2.739) 16.247 9.453 ( -14.065 -0.000 -0.890) 14.093 9.567 ( -17.139 0.000 1.505) 17.205 10.347 ( 5.350 -0.000 -0.900) 5.425 10.432 ( 3.696 0.000 0.861) 3.795 11.777 ( -19.976 -0.000 -1.657) 20.044 11.835 ( -19.720 -0.000 -0.493) 19.726 16.095 ( 4.258 -0.000 -0.218) 4.264 16.105 ( 6.385 0.000 -0.018) 6.385 17.436 ( 1.323 0.000 1.653) 2.117 17.467 ( -1.159 0.000 3.334) 3.530 17.809 ( -2.895 -0.000 -3.435) 4.493 17.880 ( -6.467 -0.000 -0.899) 6.529 19.151 ( 4.135 0.000 0.126) 4.136 19.178 ( 6.542 0.000 0.597) 6.569 27.994 ( 0.963 -0.000 -2.516) 2.694 28.279 ( 1.696 0.000 3.270) 3.683 30.165 ( -10.010 -0.000 -4.339) 10.910 30.813 ( -4.132 0.000 10.460) 11.246 31.062 ( -0.422 -0.000 -3.029) 3.059 31.378 ( 2.307 0.000 4.883) 5.400 31.940 ( 6.613 -0.000 -10.727) 12.602 32.414 ( 13.189 0.000 2.168) 13.366 ======================= Grid point 734 (272/343) ======================= q-point: ( 0.46 0.15 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 16.033 7.885) 17.867 1.320 ( 0.000 14.575 5.237) 15.487 1.666 ( 0.000 3.811 2.925) 4.805 1.694 ( 0.000 3.724 0.040) 3.724 2.034 ( -0.000 -10.770 6.407) 12.531 2.733 ( -0.000 -8.262 7.043) 10.857 2.739 ( -0.000 -6.084 -0.199) 6.088 2.780 ( 0.000 -10.078 13.131) 16.553 3.025 ( 0.000 -0.745 1.078) 1.310 3.071 ( -0.000 -0.625 -3.807) 3.858 3.204 ( -0.000 -4.231 -0.454) 4.255 3.899 ( 0.000 4.516 -2.102) 4.981 3.924 ( -0.000 -0.009 -4.096) 4.096 4.104 ( -0.000 -7.188 3.669) 8.070 4.444 ( 0.000 4.526 -2.807) 5.326 5.136 ( -0.000 3.756 -6.197) 7.246 5.358 ( 0.000 70.571 3.389) 70.652 5.502 ( 0.000 70.432 0.452) 70.434 7.574 ( 0.000 22.549 1.453) 22.596 7.763 ( 0.000 24.029 -1.163) 24.057 9.787 ( -0.000 -18.658 0.770) 18.674 9.943 ( -0.000 -19.109 -0.989) 19.135 10.828 ( 0.000 0.259 0.146) 0.297 10.843 ( -0.000 -0.166 -0.055) 0.175 11.613 ( -0.000 -52.293 0.998) 52.302 11.800 ( -0.000 -54.159 -1.013) 54.169 16.480 ( 0.000 13.195 -1.453) 13.275 16.529 ( 0.000 9.213 -1.278) 9.301 17.127 ( -0.000 -8.818 -0.164) 8.820 17.152 ( -0.000 -8.731 -0.225) 8.734 17.590 ( -0.000 0.384 -1.975) 2.012 17.609 ( -0.000 0.551 -1.122) 1.250 19.249 ( 0.000 7.877 4.890) 9.272 19.323 ( 0.000 6.664 1.478) 6.826 28.048 ( 0.000 4.329 1.133) 4.475 28.295 ( -0.000 -1.858 -1.942) 2.688 29.897 ( -0.000 -2.927 2.268) 3.703 29.924 ( -0.000 -5.919 5.234) 7.901 30.923 ( 0.000 9.955 -7.667) 12.565 31.426 ( -0.000 -5.152 -11.947) 13.010 32.762 ( 0.000 16.850 8.876) 19.045 33.584 ( -0.000 -2.171 -7.274) 7.591 ======================= Grid point 735 (273/343) ======================= q-point: ( 0.54 0.15 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -5.758 15.096 5.085) 16.939 1.465 ( -3.725 6.264 2.384) 7.668 1.720 ( -0.263 3.577 0.778) 3.670 1.745 ( 0.155 11.135 3.961) 11.820 2.050 ( -5.452 -9.648 6.915) 13.063 2.664 ( 2.254 -5.539 1.336) 6.128 2.708 ( 0.574 -5.296 0.368) 5.340 2.798 ( -3.299 -13.899 15.638) 21.180 3.037 ( -0.692 0.229 0.858) 1.126 3.059 ( 0.279 5.656 -5.554) 7.932 3.179 ( -0.501 -3.517 0.262) 3.562 3.841 ( 3.041 -3.345 -2.159) 5.010 3.916 ( 1.003 0.347 -4.683) 4.802 4.035 ( 2.355 -9.116 -3.086) 9.908 4.496 ( -1.137 8.954 1.091) 9.092 5.076 ( 1.389 -3.653 -2.651) 4.722 5.868 ( 3.796 69.637 0.673) 69.744 5.937 ( 5.681 61.984 1.153) 62.254 7.832 ( -9.548 25.102 0.771) 26.867 7.953 ( -3.885 23.664 -0.642) 23.990 9.555 ( 10.853 -22.182 1.147) 24.721 9.731 ( 7.409 -22.089 -1.479) 23.345 10.800 ( 3.450 0.205 0.102) 3.458 10.808 ( 3.437 -0.649 0.051) 3.498 11.325 ( -7.669 -47.183 0.645) 47.806 11.451 ( -4.612 -50.708 -0.547) 50.920 16.485 ( 6.367 7.755 -1.592) 10.160 16.539 ( 4.906 6.917 -0.646) 8.504 17.128 ( -3.142 -4.027 0.273) 5.115 17.147 ( -7.638 -4.656 -0.245) 8.949 17.591 ( 0.343 1.043 -1.569) 1.915 17.646 ( -5.171 -2.205 -1.247) 5.758 19.304 ( 1.903 6.081 3.275) 7.164 19.366 ( 0.951 5.483 1.894) 5.878 28.085 ( -0.022 3.778 0.910) 3.887 28.265 ( 0.615 -1.613 -1.502) 2.288 29.826 ( 1.471 -3.656 -0.531) 3.977 30.062 ( -10.633 -4.462 8.229) 14.167 30.951 ( -0.479 8.767 -8.525) 12.238 31.334 ( -1.302 -4.838 -12.175) 13.165 32.857 ( 7.888 15.234 8.346) 19.078 33.420 ( 12.314 -0.453 -3.126) 12.713 ======================= Grid point 736 (274/343) ======================= q-point: ( 0.62 0.15 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -4.219 11.254 0.408) 12.026 1.549 ( -1.893 2.445 0.923) 3.227 1.752 ( -0.589 3.947 -0.351) 4.006 1.823 ( 1.770 8.323 2.482) 8.864 2.129 ( -6.110 -7.917 2.502) 10.309 2.601 ( 1.958 -2.277 -0.069) 3.004 2.661 ( 0.668 -4.218 -0.282) 4.279 2.870 ( -5.372 -6.805 9.717) 13.023 3.050 ( -0.164 1.680 -1.485) 2.248 3.100 ( -2.058 5.719 -0.362) 6.089 3.184 ( -1.842 -0.448 1.097) 2.190 3.721 ( 2.583 -11.433 -4.212) 12.455 3.830 ( 6.867 4.324 -4.011) 9.052 3.927 ( 3.097 0.573 -4.437) 5.441 4.549 ( -1.143 -4.271 -1.439) 4.649 5.052 ( 0.873 1.987 5.369) 5.791 6.131 ( 12.751 48.808 1.125) 50.459 6.221 ( 9.803 51.907 -0.255) 52.825 8.230 ( -11.383 27.819 0.060) 30.058 8.278 ( -14.580 24.216 0.816) 28.278 9.114 ( 18.942 -26.767 1.744) 32.837 9.338 ( 15.189 -28.127 -2.477) 32.062 10.712 ( 6.245 0.149 -0.134) 6.249 10.725 ( 5.500 -0.178 0.156) 5.505 11.207 ( -13.061 -38.603 -1.311) 40.774 11.292 ( -12.661 -36.515 0.847) 38.657 16.389 ( 7.194 3.120 -1.345) 7.956 16.459 ( 7.235 3.153 0.006) 7.892 17.198 ( -4.262 2.183 1.516) 5.023 17.297 ( -10.921 -1.437 -0.357) 11.021 17.579 ( 0.971 0.951 -0.655) 1.509 17.716 ( -6.025 -4.710 -2.263) 7.975 19.306 ( 3.159 4.103 1.323) 5.345 19.384 ( 2.512 4.635 2.091) 5.672 28.097 ( 1.414 1.894 -0.554) 2.428 28.252 ( -0.559 -0.197 0.713) 0.928 29.802 ( -2.806 -3.041 -3.746) 5.582 30.291 ( -12.093 -3.637 11.072) 16.794 30.977 ( -1.036 6.767 -7.571) 10.207 31.287 ( -3.654 -3.879 -10.052) 11.377 32.764 ( 16.777 10.276 3.952) 20.067 33.167 ( 15.341 2.241 1.576) 15.584 ======================= Grid point 737 (275/343) ======================= q-point: ( 0.69 0.15 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 1.075 5.342 -0.491) 5.471 1.569 ( 1.795 -0.302 0.297) 1.844 1.796 ( 0.619 9.455 -3.179) 9.994 1.839 ( 1.160 3.232 1.755) 3.856 2.140 ( -4.125 -10.546 -7.677) 13.681 2.569 ( 0.583 -0.603 0.748) 1.124 2.629 ( -0.466 -3.139 -0.798) 3.272 2.968 ( -2.670 4.128 1.620) 5.176 3.050 ( 0.378 1.044 -1.505) 1.870 3.173 ( -2.739 -2.549 5.839) 6.935 3.275 ( -5.557 3.070 0.915) 6.414 3.608 ( 1.711 0.004 -2.033) 2.657 3.724 ( 8.425 8.335 -2.055) 12.028 3.870 ( 1.093 1.454 -5.231) 5.539 4.457 ( 1.194 -15.673 -2.917) 15.987 5.102 ( 2.250 4.977 9.127) 10.636 6.187 ( 14.367 34.027 2.030) 36.991 6.294 ( 15.117 32.936 -0.898) 36.251 8.541 ( 16.624 -20.515 4.116) 26.724 8.600 ( 4.529 -3.746 0.512) 5.899 8.698 ( -9.246 19.839 -0.129) 21.889 8.918 ( -2.576 -5.421 -4.116) 7.278 10.589 ( 7.502 0.416 -0.361) 7.522 10.620 ( 6.206 0.212 0.213) 6.214 11.242 ( -17.201 -24.683 -1.137) 30.107 11.348 ( -16.632 -23.632 -0.118) 28.898 16.276 ( 6.267 1.095 -0.975) 6.436 16.344 ( 7.221 0.957 0.176) 7.287 17.309 ( -3.295 5.843 2.963) 7.333 17.475 ( -9.077 -4.176 1.901) 10.171 17.574 ( -0.232 4.480 -1.947) 4.890 17.761 ( -5.170 -6.443 -3.473) 8.961 19.272 ( 3.656 2.496 0.346) 4.440 19.361 ( 4.441 3.275 1.626) 5.753 28.061 ( 2.427 0.373 -1.737) 3.008 28.282 ( -1.045 0.703 2.618) 2.905 29.846 ( -6.936 -2.031 -5.118) 8.856 30.538 ( -10.848 -2.240 12.006) 16.335 31.003 ( -1.378 4.165 -5.338) 6.909 31.305 ( -5.681 -2.373 -6.376) 8.863 32.475 ( 21.198 4.705 -1.516) 21.767 32.928 ( 15.777 3.059 3.621) 16.473 ======================= Grid point 738 (276/343) ======================= q-point: ( 0.77 0.15 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 6.138 -1.166 -0.853) 6.305 1.486 ( 3.905 1.607 -0.388) 4.240 1.827 ( 1.166 7.517 -0.222) 7.610 1.860 ( 0.336 2.257 0.954) 2.473 2.090 ( -6.720 -8.139 -15.088) 18.414 2.569 ( -0.068 -0.218 -0.017) 0.229 2.629 ( -1.878 -1.227 -1.172) 2.531 3.020 ( 0.824 4.543 -0.695) 4.669 3.045 ( -0.542 -0.875 0.427) 1.114 3.223 ( -1.052 -3.072 4.950) 5.920 3.383 ( -4.498 1.792 2.548) 5.472 3.586 ( 4.862 0.421 1.089) 5.000 3.644 ( 7.892 13.623 -1.482) 15.813 3.902 ( -4.958 7.954 -3.668) 10.065 4.287 ( 1.436 -19.175 -3.235) 19.499 5.098 ( 7.208 2.931 8.367) 11.426 6.117 ( 16.284 16.162 1.114) 22.970 6.183 ( 14.411 15.791 0.048) 21.378 8.005 ( 24.601 -15.309 -0.037) 28.975 8.161 ( 17.910 -19.870 0.579) 26.756 9.122 ( -15.675 17.278 0.608) 23.337 9.231 ( -18.036 7.893 -0.639) 19.698 10.457 ( 7.228 0.218 -0.556) 7.252 10.518 ( 5.505 0.174 0.399) 5.522 11.445 ( -19.696 -9.968 -1.183) 22.106 11.532 ( -18.462 -11.563 -0.712) 21.796 16.175 ( 5.156 0.260 -0.570) 5.194 16.223 ( 6.869 0.074 0.127) 6.871 17.416 ( -1.330 6.880 3.612) 7.884 17.508 ( 0.179 -5.250 3.245) 6.174 17.689 ( -6.698 5.542 -2.819) 9.139 17.782 ( -5.578 -6.854 -3.785) 9.613 19.218 ( 3.873 1.121 0.101) 4.033 19.291 ( 6.054 1.525 1.013) 6.325 28.010 ( 2.131 -0.029 -1.928) 2.873 28.311 ( 0.168 0.450 2.931) 2.970 29.962 ( -9.951 -0.842 -4.529) 10.966 30.757 ( -8.130 -0.987 10.698) 13.473 31.026 ( -1.239 1.768 -3.294) 3.938 31.378 ( -5.289 -0.851 -0.460) 5.377 32.111 ( 18.766 1.553 -6.488) 19.917 32.681 ( 15.635 1.383 2.704) 15.927 ======================= Grid point 739 (277/343) ======================= q-point: ( 0.85 0.15 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 7.262 -0.000 -1.226) 7.364 1.421 ( 3.928 0.000 -0.087) 3.929 1.820 ( 2.639 0.000 0.844) 2.771 1.892 ( -2.788 0.000 1.041) 2.976 2.168 ( -12.737 -0.000 -11.101) 16.896 2.556 ( 1.007 -0.000 -1.549) 1.847 2.656 ( -1.761 -0.000 -0.756) 1.916 3.012 ( 1.098 0.000 0.111) 1.104 3.060 ( -0.705 0.000 1.133) 1.334 3.204 ( 4.072 0.000 2.489) 4.772 3.447 ( 3.855 0.000 3.001) 4.886 3.484 ( 5.957 0.000 0.411) 5.971 3.596 ( 0.043 0.000 1.133) 1.134 4.050 ( -2.905 0.000 4.464) 5.326 4.143 ( -0.350 -0.000 -9.355) 9.362 4.970 ( 12.419 0.000 6.426) 13.983 5.860 ( 17.146 0.000 -0.329) 17.149 6.027 ( 10.356 0.000 -0.079) 10.357 7.509 ( 23.078 -0.000 -1.827) 23.150 7.806 ( 15.419 0.000 1.971) 15.545 9.445 ( -13.824 -0.000 -0.599) 13.837 9.581 ( -17.476 0.000 1.111) 17.512 10.339 ( 5.463 -0.000 -0.640) 5.500 10.440 ( 3.473 0.000 0.613) 3.527 11.762 ( -20.058 -0.000 -1.298) 20.100 11.830 ( -19.800 -0.000 -0.485) 19.806 16.093 ( 4.010 -0.000 -0.165) 4.013 16.104 ( 6.525 0.000 -0.025) 6.525 17.452 ( 2.234 0.000 1.383) 2.628 17.504 ( -0.623 0.000 3.512) 3.567 17.772 ( -3.408 -0.000 -3.553) 4.923 17.871 ( -7.499 -0.000 -0.804) 7.542 19.152 ( 4.076 0.000 0.148) 4.079 19.184 ( 6.853 0.000 0.443) 6.867 27.971 ( 0.992 -0.000 -1.718) 1.984 28.308 ( 1.914 0.000 2.332) 3.017 30.128 ( -10.804 -0.000 -2.840) 11.171 30.914 ( -3.756 0.000 8.497) 9.290 31.035 ( -0.589 -0.000 -2.147) 2.227 31.433 ( 2.000 0.000 5.796) 6.131 31.824 ( 6.512 -0.000 -11.116) 12.883 32.433 ( 13.778 0.000 1.339) 13.843 ======================= Grid point 749 (278/343) ======================= q-point: ( 0.54 0.23 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -0.000 14.749 10.169) 17.915 1.374 ( 0.000 10.952 4.786) 11.952 1.696 ( 0.000 4.970 0.214) 4.974 1.702 ( -0.000 7.836 3.571) 8.611 2.118 ( 0.000 -9.497 9.450) 13.397 2.737 ( 0.000 -6.185 -0.315) 6.193 2.746 ( 0.000 -4.282 -0.134) 4.284 2.942 ( 0.000 1.898 5.102) 5.443 3.040 ( 0.000 -0.975 1.868) 2.107 3.069 ( -0.000 -20.511 10.684) 23.127 3.197 ( 0.000 -4.005 -0.845) 4.093 3.874 ( -0.000 3.905 -2.459) 4.615 3.882 ( 0.000 -0.104 -3.989) 3.990 4.125 ( -0.000 -13.798 -0.475) 13.807 4.427 ( 0.000 9.419 0.353) 9.426 5.062 ( 0.000 3.391 -7.812) 8.516 5.394 ( -0.000 70.615 3.380) 70.696 5.507 ( -0.000 70.044 0.361) 70.045 7.592 ( -0.000 22.338 1.886) 22.417 7.748 ( -0.000 23.739 -1.615) 23.794 9.797 ( 0.000 -18.756 1.145) 18.791 9.930 ( 0.000 -19.239 -1.457) 19.294 10.830 ( 0.000 0.249 0.195) 0.316 10.843 ( 0.000 -0.048 -0.081) 0.094 11.626 ( -0.000 -52.018 1.545) 52.041 11.787 ( -0.000 -53.740 -1.496) 53.761 16.465 ( -0.000 13.030 -1.347) 13.099 16.513 ( -0.000 9.449 -1.635) 9.590 17.126 ( -0.000 -8.573 -0.069) 8.573 17.149 ( -0.000 -8.610 -0.325) 8.616 17.570 ( 0.000 1.257 -1.796) 2.192 17.595 ( 0.000 0.680 -1.450) 1.601 19.301 ( -0.000 6.410 4.847) 8.036 19.341 ( 0.000 6.498 1.850) 6.757 28.063 ( 0.000 3.857 1.677) 4.206 28.271 ( 0.000 -1.360 -2.647) 2.976 29.927 ( -0.000 -2.717 3.357) 4.318 29.987 ( 0.000 -7.098 6.493) 9.619 30.835 ( 0.000 8.991 -8.599) 12.441 31.286 ( 0.000 -5.349 -14.362) 15.325 32.863 ( 0.000 16.912 10.108) 19.702 33.501 ( -0.000 3.470 -8.118) 8.828 ======================= Grid point 750 (279/343) ======================= q-point: ( 0.62 0.23 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -2.631 13.725 6.605) 15.458 1.486 ( -3.336 4.190 1.635) 5.600 1.730 ( 0.450 4.489 1.250) 4.681 1.790 ( 1.526 13.149 4.218) 13.893 2.141 ( -3.100 -8.005 10.230) 13.355 2.666 ( 2.475 -4.554 -0.322) 5.193 2.706 ( 0.709 -5.166 -0.628) 5.252 2.974 ( 0.630 -15.058 15.384) 21.536 2.982 ( -0.072 5.707 -8.088) 9.899 3.059 ( -1.511 -0.742 3.281) 3.688 3.185 ( -1.574 -4.244 1.187) 4.680 3.812 ( 2.065 -6.938 -3.650) 8.107 3.869 ( 2.240 2.092 -4.006) 5.045 3.986 ( 3.464 -8.634 -5.924) 11.029 4.518 ( -1.357 6.409 3.006) 7.208 5.044 ( -2.447 -1.780 -3.502) 4.628 5.876 ( 5.206 68.793 0.779) 68.994 5.950 ( 5.041 62.114 1.125) 62.328 7.841 ( -8.521 25.155 0.859) 26.573 7.945 ( -5.125 23.338 -0.756) 23.906 9.570 ( 10.482 -22.434 1.545) 24.810 9.713 ( 7.672 -22.111 -1.917) 23.483 10.801 ( 3.562 0.190 0.117) 3.569 10.809 ( 3.451 -0.337 0.043) 3.468 11.332 ( -6.760 -47.780 0.854) 48.263 11.444 ( -5.165 -49.775 -0.722) 50.047 16.469 ( 6.198 7.359 -1.385) 9.720 16.531 ( 4.461 7.405 -0.799) 8.682 17.131 ( -4.108 -4.811 0.211) 6.330 17.145 ( -6.973 -3.727 -0.128) 7.908 17.573 ( -0.045 1.506 -1.729) 2.294 17.633 ( -4.658 -2.003 -1.095) 5.187 19.337 ( 2.620 4.875 2.866) 6.233 19.388 ( 0.839 5.543 2.137) 6.000 28.096 ( 0.331 3.073 1.122) 3.288 28.247 ( -0.094 -0.873 -1.760) 1.967 29.826 ( 3.955 -3.847 0.413) 5.533 30.154 ( -12.526 -4.743 9.196) 16.247 30.859 ( -1.206 7.745 -8.383) 11.477 31.195 ( -2.541 -4.710 -13.959) 14.950 32.948 ( 9.406 14.437 8.596) 19.256 33.385 ( 10.878 3.740 -3.436) 12.006 ======================= Grid point 751 (280/343) ======================= q-point: ( 0.69 0.23 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -2.300 10.352 1.383) 10.694 1.555 ( -1.742 1.832 0.296) 2.546 1.749 ( 1.860 5.217 -0.233) 5.543 1.848 ( 2.609 8.317 2.143) 8.977 2.172 ( -0.888 -8.831 5.147) 10.260 2.605 ( 1.642 -2.067 0.799) 2.758 2.654 ( 0.592 -4.239 -0.785) 4.352 2.931 ( -0.632 -2.395 0.080) 2.479 3.018 ( -0.621 3.918 -2.258) 4.564 3.139 ( -4.766 0.836 7.004) 8.513 3.203 ( -2.045 -2.059 2.462) 3.806 3.662 ( 2.744 -10.537 -6.931) 12.907 3.796 ( 5.790 4.202 -2.447) 7.562 3.879 ( 2.993 0.634 -4.501) 5.443 4.538 ( -0.339 -7.634 -0.674) 7.672 5.104 ( -2.442 3.984 4.299) 6.349 6.144 ( 12.126 49.726 1.250) 51.198 6.218 ( 10.495 50.726 -0.446) 51.803 8.231 ( -12.274 28.700 0.082) 31.215 8.286 ( -14.348 23.878 0.716) 27.866 9.135 ( 18.480 -27.671 2.291) 33.353 9.309 ( 15.961 -28.026 -2.976) 32.389 10.711 ( 6.390 0.165 -0.107) 6.393 10.726 ( 5.562 -0.001 0.133) 5.564 11.195 ( -12.749 -38.919 -1.029) 40.967 11.299 ( -12.527 -36.117 0.601) 38.232 16.376 ( 6.973 2.907 -1.071) 7.631 16.459 ( 7.068 3.372 -0.103) 7.832 17.215 ( -5.188 2.102 1.773) 5.872 17.292 ( -10.723 -0.679 -0.671) 10.765 17.573 ( 0.334 0.728 -0.587) 0.993 17.693 ( -5.231 -4.807 -2.118) 7.414 19.319 ( 3.659 3.397 1.263) 5.150 19.405 ( 2.708 4.710 1.775) 5.716 28.091 ( 2.087 1.165 -0.559) 2.454 28.260 ( -1.721 0.583 0.696) 1.945 29.768 ( -1.215 -3.234 -2.595) 4.321 30.412 ( -12.857 -3.439 12.010) 17.927 30.901 ( -2.340 6.067 -6.541) 9.223 31.168 ( -5.808 -3.859 -12.268) 14.111 32.805 ( 19.379 8.735 3.668) 21.571 33.183 ( 14.266 5.265 1.436) 15.275 ======================= Grid point 752 (281/343) ======================= q-point: ( 0.77 0.23 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 1.260 5.343 -0.130) 5.491 1.571 ( 1.557 -1.006 0.094) 1.857 1.742 ( 1.702 9.635 -6.517) 11.756 1.856 ( 1.772 3.809 1.321) 4.404 2.093 ( 1.512 -11.679 -1.739) 11.905 2.582 ( 0.540 -1.111 1.360) 1.837 2.619 ( -0.175 -3.388 -0.834) 3.494 2.964 ( -1.320 6.556 -2.105) 7.011 3.035 ( -1.037 -0.182 -0.785) 1.313 3.239 ( -2.486 -2.990 6.062) 7.202 3.294 ( -6.105 0.590 2.638) 6.677 3.582 ( 0.710 7.705 -2.937) 8.276 3.706 ( 6.951 5.012 -1.236) 8.658 3.816 ( 1.869 1.423 -4.944) 5.474 4.433 ( 0.602 -17.845 -1.689) 17.935 5.184 ( 1.766 6.107 6.493) 9.087 6.209 ( 14.237 33.758 2.120) 36.698 6.283 ( 14.904 33.102 -1.205) 36.323 8.583 ( 21.621 -24.842 3.307) 33.099 8.608 ( 4.375 -4.735 1.206) 6.558 8.699 ( -12.716 21.825 0.617) 25.267 8.871 ( -4.121 -2.335 -4.830) 6.766 10.586 ( 7.623 0.392 -0.269) 7.638 10.622 ( 6.166 0.300 0.151) 6.175 11.231 ( -17.437 -25.051 -0.896) 30.535 11.347 ( -15.984 -23.427 -0.137) 28.360 16.267 ( 6.081 0.989 -0.712) 6.202 16.345 ( 7.189 1.009 0.085) 7.260 17.342 ( -3.764 6.253 3.388) 8.047 17.484 ( -11.040 0.121 -0.480) 11.051 17.563 ( 1.047 0.087 0.384) 1.119 17.722 ( -4.539 -6.630 -3.747) 8.865 19.276 ( 3.875 2.198 0.402) 4.473 19.375 ( 4.685 3.326 1.176) 5.864 28.045 ( 2.718 0.210 -1.214) 2.985 28.306 ( -1.597 0.910 1.943) 2.675 29.801 ( -6.440 -2.160 -3.517) 7.649 30.665 ( -10.088 -1.905 12.059) 15.837 30.954 ( -2.539 3.831 -3.958) 6.066 31.223 ( -9.330 -2.450 -8.896) 13.122 32.465 ( 23.706 3.954 -0.481) 24.038 32.961 ( 16.099 4.267 2.579) 16.853 ======================= Grid point 753 (282/343) ======================= q-point: ( 0.85 0.23 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 6.880 -1.825 -0.776) 7.160 1.483 ( 3.623 1.894 -0.243) 4.095 1.801 ( -2.779 11.541 -4.847) 12.822 1.867 ( -0.117 2.313 0.476) 2.364 1.980 ( -2.188 -12.129 -5.451) 13.476 2.570 ( 0.900 -0.535 0.275) 1.082 2.616 ( -2.056 -1.162 -1.119) 2.614 3.011 ( 0.215 4.448 -0.922) 4.548 3.051 ( -1.230 -0.818 0.617) 1.601 3.266 ( -0.004 -3.725 3.229) 4.930 3.414 ( -5.908 2.233 2.985) 6.986 3.596 ( 5.646 0.178 0.817) 5.707 3.627 ( 6.881 10.928 -1.674) 13.021 3.861 ( -4.873 15.698 -3.680) 16.844 4.262 ( 0.584 -24.096 -1.609) 24.157 5.171 ( 7.747 4.188 5.484) 10.374 6.127 ( 17.028 14.855 0.830) 22.612 6.183 ( 13.970 17.008 -0.083) 22.010 8.004 ( 25.625 -17.136 -0.058) 30.827 8.167 ( 17.163 -18.642 0.437) 25.343 9.128 ( -15.501 15.369 0.490) 21.834 9.225 ( -18.667 10.258 -0.516) 21.306 10.452 ( 7.335 0.197 -0.355) 7.346 10.521 ( 5.379 0.216 0.247) 5.389 11.434 ( -19.809 -10.806 -0.816) 22.580 11.526 ( -18.182 -10.975 -0.524) 21.244 16.170 ( 4.973 0.209 -0.369) 4.991 16.224 ( 6.911 0.093 0.066) 6.912 17.455 ( -0.697 7.081 3.589) 7.969 17.538 ( 1.069 -2.723 2.302) 3.723 17.662 ( -7.337 2.221 -1.859) 7.888 17.742 ( -6.736 -6.221 -3.854) 9.947 19.220 ( 3.887 1.042 0.130) 4.027 19.300 ( 6.277 1.548 0.644) 6.497 27.994 ( 2.272 -0.053 -1.176) 2.559 28.337 ( 0.093 0.490 1.884) 1.948 29.924 ( -10.217 -0.889 -2.756) 10.619 30.859 ( -6.857 -0.865 8.442) 10.910 30.997 ( -1.838 1.607 -2.081) 3.208 31.363 ( -10.301 -0.693 -2.080) 10.532 32.054 ( 22.315 1.208 -4.098) 22.721 32.704 ( 16.209 1.715 1.612) 16.379 ======================= Grid point 754 (283/343) ======================= q-point: ( 0.92 0.23 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 7.108 -0.000 -0.718) 7.144 1.420 ( 3.781 0.000 -0.091) 3.782 1.828 ( 3.035 0.000 0.584) 3.091 1.901 ( -2.755 0.000 0.600) 2.820 2.076 ( -15.921 -0.000 -6.139) 17.064 2.545 ( 1.724 -0.000 -0.730) 1.872 2.649 ( -2.037 -0.000 -0.527) 2.104 3.013 ( 0.787 0.000 0.132) 0.798 3.070 ( -0.805 0.000 0.650) 1.035 3.224 ( 4.651 0.000 1.252) 4.817 3.473 ( 7.230 0.000 1.726) 7.433 3.487 ( 5.970 0.000 0.166) 5.972 3.612 ( -5.961 0.000 1.685) 6.194 4.059 ( 1.988 -0.000 -6.105) 6.421 4.085 ( -4.185 0.000 2.145) 4.703 5.024 ( 12.946 0.000 3.696) 13.463 5.858 ( 17.628 0.000 -0.082) 17.628 6.025 ( 10.875 0.000 -0.270) 10.879 7.494 ( 23.448 -0.000 -0.958) 23.467 7.821 ( 15.050 0.000 1.033) 15.086 9.440 ( -13.675 -0.000 -0.301) 13.678 9.590 ( -17.693 -0.000 0.591) 17.703 10.334 ( 5.532 -0.000 -0.333) 5.542 10.444 ( 3.324 0.000 0.320) 3.339 11.751 ( -20.109 -0.000 -0.712) 20.122 11.826 ( -19.862 -0.000 -0.295) 19.865 16.092 ( 3.851 0.000 -0.089) 3.853 16.104 ( 6.609 0.000 -0.016) 6.609 17.464 ( 2.931 0.000 0.788) 3.035 17.538 ( 0.176 0.000 2.645) 2.650 17.738 ( -4.204 -0.000 -2.657) 4.973 17.864 ( -8.268 -0.000 -0.473) 8.282 19.154 ( 4.057 0.000 0.095) 4.059 19.187 ( 7.048 0.000 0.235) 7.052 27.958 ( 1.015 -0.000 -0.870) 1.337 28.327 ( 2.067 0.000 1.213) 2.397 30.105 ( -11.324 -0.000 -1.399) 11.410 30.985 ( -3.423 0.000 4.854) 5.940 31.017 ( -0.682 -0.000 -1.115) 1.307 31.502 ( 0.139 0.000 7.308) 7.309 31.709 ( 7.999 -0.000 -10.545) 13.236 32.443 ( 14.146 0.000 0.636) 14.160 ======================= Grid point 756 (284/343) ======================= q-point: ( 0.00 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 7.025 0.000 -0.000) 7.025 1.420 ( 3.738 0.000 -0.000) 3.738 1.831 ( 3.173 0.000 -0.000) 3.173 1.904 ( -2.670 -0.000 0.000) 2.670 2.043 ( -17.130 -0.000 0.000) 17.130 2.541 ( 1.963 0.000 -0.000) 1.963 2.646 ( -2.138 -0.000 0.000) 2.138 3.014 ( 0.666 0.000 -0.000) 0.666 3.073 ( -0.837 -0.000 0.000) 0.837 3.230 ( 4.848 0.000 -0.000) 4.848 3.482 ( 8.864 0.000 -0.000) 8.864 3.488 ( 5.977 0.000 -0.000) 5.977 3.623 ( -9.110 -0.000 0.000) 9.110 4.025 ( 3.423 0.000 -0.000) 3.423 4.096 ( -4.609 -0.000 0.000) 4.609 5.044 ( 13.056 0.000 -0.000) 13.056 5.858 ( 17.785 0.000 -0.000) 17.785 6.023 ( 11.096 0.000 -0.000) 11.096 7.489 ( 23.574 0.000 -0.000) 23.574 7.827 ( 14.925 0.000 -0.000) 14.925 9.439 ( -13.625 -0.000 0.000) 13.625 9.593 ( -17.768 -0.000 0.000) 17.768 10.332 ( 5.555 0.000 -0.000) 5.555 10.446 ( 3.271 0.000 -0.000) 3.271 11.747 ( -20.127 -0.000 0.000) 20.127 11.824 ( -19.886 -0.000 0.000) 19.886 16.091 ( 3.797 0.000 -0.000) 3.797 16.104 ( 6.637 0.000 -0.000) 6.637 17.468 ( 3.195 0.000 -0.000) 3.195 17.553 ( 0.724 0.000 -0.000) 0.724 17.723 ( -4.752 -0.000 0.000) 4.752 17.861 ( -8.557 -0.000 0.000) 8.557 19.154 ( 4.054 0.000 -0.000) 4.054 19.189 ( 7.114 0.000 -0.000) 7.114 27.953 ( 1.023 0.000 -0.000) 1.023 28.333 ( 2.122 0.000 -0.000) 2.122 30.098 ( -11.505 -0.000 0.000) 11.505 31.011 ( -0.712 -0.000 0.000) 0.712 31.012 ( -3.264 -0.000 0.000) 3.264 31.570 ( -11.106 -0.000 0.000) 11.106 31.624 ( 19.068 0.000 -0.000) 19.068 32.446 ( 14.271 0.000 -0.000) 14.271 ======================= Grid point 764 (285/343) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 12.520 10.605) 16.408 1.416 ( -0.000 7.041 3.054) 7.674 1.700 ( -0.000 7.028 0.696) 7.063 1.737 ( -0.000 11.960 2.825) 12.289 2.231 ( -0.000 -7.394 11.843) 13.962 2.733 ( -0.000 -6.303 -0.237) 6.308 2.739 ( -0.000 -4.403 -1.303) 4.591 2.898 ( -0.000 4.768 -7.866) 9.198 3.061 ( -0.000 -0.957 2.278) 2.471 3.186 ( 0.000 -3.643 -1.385) 3.897 3.267 ( 0.000 -26.254 20.893) 33.553 3.841 ( -0.000 -0.651 -3.652) 3.710 3.849 ( -0.000 3.201 -2.146) 3.854 4.086 ( 0.000 -17.325 -6.644) 18.555 4.461 ( -0.000 10.831 5.896) 12.332 4.972 ( -0.000 2.918 -9.195) 9.647 5.429 ( -0.000 70.982 3.079) 71.049 5.509 ( -0.000 69.855 0.027) 69.855 7.613 ( -0.000 22.222 2.129) 22.324 7.729 ( -0.000 23.389 -1.944) 23.469 9.811 ( -0.000 -18.879 1.496) 18.938 9.913 ( 0.000 -19.316 -1.834) 19.403 10.832 ( -0.000 0.240 0.220) 0.325 10.842 ( -0.000 0.061 -0.108) 0.124 11.645 ( -0.000 -51.841 2.036) 51.881 11.769 ( 0.000 -53.246 -1.933) 53.281 16.454 ( -0.000 12.656 -0.790) 12.681 16.495 ( 0.000 9.806 -1.740) 9.960 17.126 ( -0.000 -8.365 0.102) 8.365 17.145 ( -0.000 -8.472 -0.404) 8.482 17.554 ( 0.000 1.705 -1.180) 2.073 17.579 ( -0.000 0.859 -1.537) 1.761 19.347 ( 0.000 5.532 3.670) 6.639 19.361 ( -0.000 6.258 1.855) 6.528 28.083 ( -0.000 3.237 2.188) 3.907 28.240 ( -0.000 -0.713 -3.096) 3.177 29.967 ( 0.000 -2.543 4.308) 5.003 30.054 ( 0.000 -7.746 5.820) 9.689 30.753 ( -0.000 7.208 -6.406) 9.644 31.130 ( -0.000 -5.385 -14.959) 15.899 32.970 ( -0.000 16.927 10.026) 19.674 33.416 ( -0.000 8.393 -7.958) 11.566 ======================= Grid point 765 (286/343) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -0.415 11.339 6.236) 12.947 1.499 ( -3.026 3.117 0.840) 4.425 1.748 ( 1.535 7.013 2.117) 7.485 1.827 ( 2.253 13.564 2.577) 13.989 2.260 ( -0.539 -6.249 12.059) 13.592 2.662 ( 2.197 -4.044 -0.533) 4.633 2.697 ( 0.556 -5.558 -0.992) 5.673 2.887 ( -0.680 4.006 -9.665) 10.485 3.052 ( 2.353 -2.829 2.076) 4.225 3.139 ( -0.325 -4.282 6.048) 7.417 3.232 ( -1.815 -12.349 10.625) 16.392 3.759 ( 2.293 -11.632 -6.583) 13.561 3.836 ( 2.661 2.569 -2.205) 4.306 3.918 ( 3.123 -5.451 -6.441) 8.997 4.555 ( -0.241 2.728 3.875) 4.745 5.005 ( -6.654 0.724 -3.702) 7.649 5.884 ( 6.233 68.062 0.675) 68.351 5.960 ( 4.659 62.155 0.873) 62.336 7.850 ( -7.275 25.353 0.777) 26.387 7.937 ( -6.578 22.905 -0.717) 23.841 9.588 ( 10.043 -22.784 1.844) 24.968 9.692 ( 8.005 -21.998 -2.167) 23.509 10.802 ( 3.694 0.178 0.107) 3.700 10.809 ( 3.431 -0.063 0.025) 3.431 11.342 ( -5.657 -48.578 0.903) 48.915 11.436 ( -5.924 -48.672 -0.773) 49.037 16.457 ( 6.082 6.993 -0.963) 9.318 16.523 ( 4.049 7.816 -0.709) 8.831 17.132 ( -5.496 -6.108 0.033) 8.217 17.145 ( -5.870 -2.287 0.083) 6.300 17.556 ( -0.166 1.803 -1.450) 2.320 17.623 ( -4.386 -1.860 -0.802) 4.831 19.363 ( 3.053 4.125 2.029) 5.519 19.409 ( 0.888 5.468 1.791) 5.822 28.108 ( 0.960 2.201 1.158) 2.666 28.229 ( -1.045 0.039 -1.694) 1.990 29.833 ( 6.205 -4.034 0.850) 7.449 30.251 ( -14.681 -4.575 8.934) 17.784 30.783 ( -1.750 6.096 -5.618) 8.472 31.046 ( -3.175 -4.402 -14.045) 15.058 33.034 ( 11.148 13.420 7.545) 19.008 33.348 ( 9.169 7.606 -3.462) 12.406 ======================= Grid point 766 (287/343) ======================= q-point: ( 0.77 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -0.692 8.872 1.685) 9.057 1.556 ( -1.229 1.832 -0.159) 2.212 1.748 ( 4.987 6.482 0.105) 8.179 1.866 ( 2.924 8.094 1.248) 8.696 2.228 ( 3.595 -9.496 5.022) 11.328 2.616 ( 0.979 -2.785 0.918) 3.091 2.651 ( 0.297 -3.754 0.747) 3.839 2.880 ( -1.259 3.874 -7.293) 8.354 3.016 ( 0.281 0.125 0.643) 0.713 3.204 ( -3.955 1.236 3.165) 5.214 3.257 ( -2.180 -4.137 9.077) 10.211 3.578 ( 2.337 -8.509 -8.859) 12.503 3.777 ( 4.613 2.378 -1.126) 5.310 3.837 ( 2.936 0.807 -3.419) 4.578 4.533 ( 0.272 -9.929 -0.233) 9.935 5.141 ( -4.834 5.302 2.735) 7.678 6.156 ( 11.396 50.925 1.118) 52.196 6.212 ( 11.289 49.319 -0.558) 50.598 8.231 ( -12.839 29.324 0.066) 32.011 8.292 ( -14.326 23.688 0.482) 27.687 9.162 ( 17.703 -28.697 2.644) 33.822 9.277 ( 16.990 -27.646 -3.127) 32.600 10.710 ( 6.512 0.197 -0.068) 6.515 10.728 ( 5.609 0.126 0.089) 5.611 11.186 ( -12.500 -39.128 -0.655) 41.081 11.304 ( -12.406 -35.846 0.356) 37.934 16.367 ( 6.829 2.768 -0.677) 7.399 16.457 ( 6.914 3.505 -0.107) 7.752 17.235 ( -6.409 1.797 1.838) 6.905 17.283 ( -9.979 0.256 -1.040) 10.036 17.567 ( -0.563 0.634 -0.406) 0.940 17.673 ( -4.312 -5.084 -1.501) 6.833 19.331 ( 4.005 2.937 0.905) 5.048 19.420 ( 2.890 4.713 1.154) 5.647 28.086 ( 2.553 0.686 -0.413) 2.676 28.266 ( -2.593 1.113 0.502) 2.866 29.747 ( 0.026 -3.374 -1.507) 3.695 30.541 ( -13.720 -2.848 12.274) 18.628 30.843 ( -3.374 5.109 -4.447) 7.567 31.035 ( -7.046 -3.963 -12.800) 15.139 32.838 ( 21.282 7.648 2.559) 22.758 33.196 ( 13.418 7.538 0.993) 15.422 ======================= Grid point 767 (288/343) ======================= q-point: ( 0.85 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 1.480 5.227 0.052) 5.432 1.571 ( 0.932 -0.960 -0.163) 1.348 1.678 ( 4.452 7.362 -4.759) 9.832 1.867 ( 2.135 4.178 0.704) 4.744 2.089 ( 4.409 -10.337 0.440) 11.247 2.591 ( -0.294 -2.222 0.119) 2.245 2.617 ( 1.260 -3.269 0.550) 3.546 2.936 ( -2.507 7.565 -2.566) 8.372 3.033 ( -1.548 -0.564 0.058) 1.648 3.286 ( -3.172 -0.914 2.587) 4.194 3.331 ( -4.162 -5.547 3.967) 7.989 3.549 ( -0.651 16.331 -2.959) 16.609 3.698 ( 5.656 2.051 -0.276) 6.023 3.771 ( 2.838 1.130 -3.296) 4.494 4.420 ( 0.289 -19.087 -0.777) 19.105 5.237 ( 1.405 6.792 3.363) 7.708 6.231 ( 14.261 33.543 2.017) 36.505 6.269 ( 14.650 33.248 -1.511) 36.364 8.601 ( 16.802 -13.138 0.557) 21.336 8.629 ( 12.668 -19.354 2.010) 23.219 8.715 ( -13.199 19.405 2.537) 23.605 8.818 ( -7.235 2.825 -4.943) 9.207 10.584 ( 7.703 0.384 -0.143) 7.714 10.623 ( 6.144 0.354 0.079) 6.154 11.224 ( -17.567 -25.273 -0.490) 30.783 11.346 ( -15.562 -23.320 -0.090) 28.036 16.262 ( 5.969 0.931 -0.373) 6.053 16.346 ( 7.156 1.029 0.033) 7.229 17.378 ( -4.158 6.949 3.304) 8.746 17.466 ( -9.383 3.228 -2.553) 10.245 17.580 ( -1.622 -3.015 2.272) 4.109 17.684 ( -3.497 -7.244 -3.279) 8.686 19.279 ( 4.031 2.012 0.260) 4.513 19.385 ( 4.839 3.346 0.610) 5.915 28.036 ( 2.880 0.131 -0.624) 2.950 28.322 ( -1.945 1.023 1.035) 2.430 29.773 ( -6.122 -2.232 -1.790) 6.758 30.786 ( -7.946 -1.381 10.544) 13.275 30.921 ( -3.500 3.693 -2.288) 5.579 31.126 ( -13.149 -2.939 -8.998) 16.202 32.462 ( 25.281 3.607 -0.036) 25.538 32.982 ( 16.349 4.953 1.335) 17.135 ======================= Grid point 768 (289/343) ======================= q-point: ( 0.92 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 7.265 -2.087 -0.381) 7.568 1.481 ( 3.535 2.003 -0.080) 4.064 1.751 ( -6.816 9.983 -3.045) 12.466 1.870 ( -0.067 2.121 0.199) 2.131 1.955 ( 1.798 -10.342 -0.605) 10.515 2.573 ( 1.581 -0.832 0.175) 1.795 2.607 ( -2.277 -1.029 -0.485) 2.546 3.003 ( -0.530 4.330 -0.370) 4.378 3.056 ( -1.385 -0.684 0.252) 1.565 3.289 ( 0.647 -4.305 1.119) 4.495 3.439 ( -7.230 2.905 1.485) 7.932 3.604 ( 6.111 0.594 0.560) 6.165 3.612 ( 6.717 7.237 -1.120) 9.937 3.832 ( -4.440 20.959 -1.564) 21.481 4.251 ( -0.008 -26.320 -0.480) 26.324 5.211 ( 7.902 4.794 1.910) 9.438 6.134 ( 17.536 14.037 0.313) 22.464 6.182 ( 13.668 17.774 -0.060) 22.422 8.004 ( 26.177 -18.117 -0.027) 31.835 8.170 ( 16.770 -18.001 0.162) 24.603 9.132 ( -15.341 14.019 0.193) 20.783 9.221 ( -19.088 11.869 -0.203) 22.478 10.449 ( 7.390 0.188 -0.122) 7.394 10.523 ( 5.314 0.237 0.084) 5.320 11.428 ( -19.865 -11.254 -0.291) 22.833 11.522 ( -18.031 -10.670 -0.193) 20.953 16.168 ( 4.878 0.185 -0.128) 4.883 16.225 ( 6.930 0.099 0.021) 6.930 17.486 ( 0.548 6.956 2.010) 7.262 17.551 ( 0.396 2.535 0.121) 2.569 17.655 ( -5.493 -4.737 0.400) 7.264 17.706 ( -9.309 -4.375 -2.467) 10.577 19.221 ( 3.904 1.002 0.056) 4.031 19.304 ( 6.390 1.558 0.220) 6.580 27.986 ( 2.343 -0.064 -0.395) 2.377 28.350 ( 0.062 0.510 0.650) 0.828 29.905 ( -10.368 -0.908 -0.925) 10.449 30.925 ( -5.305 -0.790 3.485) 6.396 30.982 ( -2.150 1.537 -0.712) 2.737 31.343 ( -14.291 -0.640 -1.357) 14.369 32.025 ( 24.638 1.047 -1.372) 24.698 32.715 ( 16.516 1.871 0.535) 16.630 ======================= Grid point 779 (290/343) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.000 9.257 8.824) 12.788 1.437 ( -0.000 4.372 0.884) 4.461 1.711 ( 0.000 10.078 1.536) 10.194 1.756 ( 0.000 14.676 0.757) 14.695 2.363 ( 0.000 -4.760 13.086) 13.925 2.712 ( 0.000 -3.218 -4.553) 5.575 2.733 ( 0.000 -6.296 0.220) 6.300 2.812 ( 0.000 0.883 -7.516) 7.568 3.088 ( 0.000 -1.348 2.656) 2.978 3.168 ( 0.000 -3.135 -1.995) 3.716 3.477 ( 0.000 -25.062 18.566) 31.190 3.805 ( 0.000 -2.396 -3.380) 4.143 3.832 ( 0.000 2.375 -1.019) 2.585 3.995 ( 0.000 -16.727 -10.136) 19.559 4.542 ( 0.000 8.646 9.158) 12.595 4.870 ( -0.000 3.198 -10.214) 10.703 5.458 ( 0.000 70.989 2.552) 71.035 5.507 ( -0.000 69.945 -0.506) 69.946 7.636 ( 0.000 22.247 2.244) 22.360 7.707 ( 0.000 23.020 -2.150) 23.120 9.828 ( 0.000 -19.014 1.799) 19.099 9.892 ( 0.000 -19.319 -2.062) 19.428 10.835 ( 0.000 0.231 0.221) 0.319 10.840 ( 0.000 0.141 -0.139) 0.198 11.668 ( -0.000 -51.826 2.385) 51.881 11.747 ( -0.000 -52.746 -2.282) 52.796 16.449 ( 0.000 12.114 -0.050) 12.114 16.477 ( 0.000 10.282 -1.597) 10.406 17.128 ( 0.000 -8.238 0.276) 8.243 17.141 ( -0.000 -8.342 -0.452) 8.354 17.545 ( -0.000 1.771 -0.421) 1.820 17.564 ( -0.000 1.087 -1.360) 1.741 19.377 ( -0.000 5.243 2.083) 5.642 19.379 ( -0.000 5.954 1.456) 6.130 28.109 ( -0.000 2.503 2.643) 3.640 28.206 ( -0.000 0.043 -3.284) 3.284 30.016 ( -0.000 -2.595 4.868) 5.517 30.100 ( -0.000 -6.943 2.457) 7.364 30.713 ( 0.000 4.031 -0.701) 4.091 30.976 ( 0.000 -4.855 -14.065) 14.879 33.072 ( 0.000 16.679 9.332) 19.112 33.334 ( -0.000 12.050 -7.738) 14.321 ======================= Grid point 780 (291/343) ======================= q-point: ( 0.77 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.644 8.472 3.793) 9.305 1.504 ( -2.836 2.985 0.224) 4.124 1.773 ( 3.195 10.300 2.386) 11.045 1.843 ( 1.989 12.995 0.405) 13.153 2.384 ( 2.769 -5.328 10.764) 12.325 2.651 ( 0.448 -2.894 -1.680) 3.376 2.691 ( 0.491 -5.195 0.386) 5.232 2.786 ( -1.172 2.017 -9.032) 9.328 3.066 ( 2.520 -2.317 0.806) 3.516 3.163 ( -2.167 -0.707 0.667) 2.374 3.378 ( 2.503 -15.186 14.393) 21.072 3.672 ( 2.868 -16.541 -9.750) 19.414 3.821 ( 2.344 1.554 -0.674) 2.892 3.861 ( 1.942 -1.220 -4.015) 4.624 4.593 ( 1.817 -0.850 2.870) 3.501 4.970 ( -10.553 3.391 -2.621) 11.390 5.890 ( 6.830 67.577 0.388) 67.923 5.967 ( 4.479 62.150 0.473) 62.313 7.857 ( -6.072 25.645 0.487) 26.359 7.931 ( -7.932 22.455 -0.462) 23.819 9.607 ( 9.597 -23.365 1.832) 25.325 9.669 ( 8.375 -21.573 -2.019) 23.229 10.803 ( 3.814 0.167 0.066) 3.818 10.809 ( 3.385 0.124 0.008) 3.387 11.350 ( -4.563 -49.442 0.638) 49.656 11.429 ( -6.769 -47.598 -0.557) 48.080 16.449 ( 6.032 6.710 -0.478) 9.035 16.517 ( 3.752 8.111 -0.413) 8.946 17.132 ( -6.370 -6.839 -0.040) 9.346 17.146 ( -5.204 -1.449 0.126) 5.403 17.544 ( -0.127 1.936 -0.821) 2.107 17.617 ( -4.300 -1.770 -0.425) 4.669 19.379 ( 3.236 3.755 1.060) 5.069 19.424 ( 1.005 5.372 0.979) 5.552 28.119 ( 1.823 1.291 0.842) 2.387 28.213 ( -2.130 0.981 -1.147) 2.610 29.841 ( 7.875 -4.181 0.664) 8.941 30.333 ( -17.157 -3.441 6.019) 18.505 30.752 ( -1.658 3.054 0.027) 3.475 30.907 ( -3.133 -3.334 -12.054) 12.893 33.102 ( 13.283 12.049 5.064) 18.635 33.314 ( 7.048 10.809 -2.816) 13.207 ======================= Grid point 781 (292/343) ======================= q-point: ( 0.85 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.020 7.521 0.801) 7.563 1.553 ( -0.642 2.189 -0.171) 2.288 1.750 ( 7.345 7.468 0.126) 10.475 1.875 ( 2.772 7.817 0.360) 8.301 2.267 ( 6.474 -9.955 2.094) 12.058 2.617 ( 0.551 -4.565 -0.260) 4.606 2.675 ( 0.724 -3.531 2.894) 4.623 2.808 ( -3.426 6.530 -5.132) 8.984 3.021 ( 0.649 -0.400 0.230) 0.796 3.222 ( -3.557 0.565 0.719) 3.673 3.365 ( -0.488 -1.953 10.384) 10.577 3.479 ( 0.876 -9.047 -9.767) 13.342 3.770 ( 3.945 1.158 -0.251) 4.119 3.811 ( 3.004 1.067 -1.348) 3.461 4.532 ( 0.617 -11.080 -0.048) 11.097 5.161 ( -6.087 5.958 0.935) 8.569 6.165 ( 10.684 52.220 0.516) 53.304 6.207 ( 12.040 47.910 -0.316) 49.401 8.232 ( -13.110 29.645 0.025) 32.415 8.296 ( -14.360 23.604 0.169) 27.630 9.188 ( 16.331 -30.184 1.969) 34.375 9.247 ( 18.503 -26.517 -2.143) 32.405 10.710 ( 6.581 0.220 -0.023) 6.584 10.728 ( 5.635 0.193 0.032) 5.638 11.181 ( -12.361 -39.232 -0.225) 41.134 11.307 ( -12.336 -35.709 0.118) 37.780 16.362 ( 6.759 2.699 -0.230) 7.281 16.457 ( 6.823 3.567 -0.043) 7.699 17.253 ( -8.080 0.882 1.679) 8.299 17.270 ( -8.515 1.560 -1.385) 8.767 17.564 ( -1.283 0.624 -0.147) 1.434 17.662 ( -3.633 -5.333 -0.542) 6.475 19.338 ( 4.182 2.708 0.328) 4.993 19.428 ( 2.994 4.705 0.396) 5.591 28.083 ( 2.785 0.457 -0.152) 2.826 28.270 ( -3.054 1.374 0.183) 3.354 29.736 ( 0.711 -3.449 -0.492) 3.556 30.659 ( -15.795 -0.629 8.610) 18.000 30.809 ( -3.305 1.682 -2.039) 4.232 30.914 ( -6.699 -3.039 -8.380) 11.151 32.857 ( 22.281 7.087 0.914) 23.398 33.204 ( 12.948 8.746 0.353) 15.629 ======================= Grid point 782 (293/343) ======================= q-point: (-0.08 -0.62 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 1.600 5.117 -0.000) 5.361 1.569 ( 0.447 -0.545 0.000) 0.705 1.652 ( 5.975 6.067 -0.000) 8.515 1.870 ( 2.254 4.303 -0.000) 4.858 2.093 ( 5.262 -9.680 0.000) 11.018 2.590 ( -0.818 -2.859 0.000) 2.974 2.622 ( 2.196 -3.162 0.000) 3.850 2.921 ( -3.406 7.862 -0.000) 8.568 3.033 ( -1.598 -0.529 0.000) 1.684 3.298 ( -4.062 0.179 -0.000) 4.066 3.357 ( -2.299 -10.491 0.000) 10.740 3.530 ( -1.645 21.905 -0.000) 21.966 3.698 ( 5.020 0.891 -0.000) 5.098 3.752 ( 3.432 1.038 -0.000) 3.585 4.416 ( 0.194 -19.488 0.000) 19.489 5.254 ( 1.272 7.022 -0.000) 7.136 6.250 ( 14.512 33.380 -0.000) 36.398 6.253 ( 14.319 33.388 -0.000) 36.329 8.603 ( 15.309 -10.512 0.000) 18.570 8.639 ( 13.235 -19.659 0.000) 23.699 8.741 ( -5.895 9.128 -0.000) 10.866 8.780 ( -13.658 10.718 -0.000) 17.361 10.583 ( 7.730 0.382 -0.000) 7.740 10.624 ( 6.137 0.372 -0.000) 6.148 11.221 ( -17.608 -25.347 0.000) 30.863 11.345 ( -15.416 -23.287 0.000) 27.928 16.260 ( 5.932 0.912 -0.000) 6.002 16.346 ( 7.142 1.033 -0.000) 7.217 17.402 ( -3.905 8.305 -0.000) 9.177 17.446 ( -8.930 2.629 -0.000) 9.309 17.596 ( -3.572 -2.824 0.000) 4.554 17.663 ( -2.383 -8.163 0.000) 8.503 19.281 ( 4.088 1.950 -0.000) 4.529 19.388 ( 4.892 3.352 -0.000) 5.930 28.032 ( 2.932 0.108 -0.000) 2.934 28.328 ( -2.064 1.060 -0.000) 2.321 29.763 ( -6.013 -2.256 0.000) 6.422 30.858 ( -4.187 -0.985 0.000) 4.301 30.906 ( -4.838 3.927 -0.000) 6.231 31.066 ( -16.475 -3.614 0.000) 16.867 32.462 ( 25.810 3.509 -0.000) 26.047 32.989 ( 16.441 5.176 -0.000) 17.237 ======================= Grid point 795 (294/343) ======================= q-point: ( 0.77 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 5.744 5.354) 7.852 1.433 ( -0.000 3.820 -1.819) 4.231 1.732 ( 0.000 13.425 2.174) 13.600 1.752 ( 0.000 15.261 -1.403) 15.325 2.501 ( 0.000 -2.220 12.949) 13.138 2.629 ( 0.000 -0.844 -10.813) 10.846 2.740 ( -0.000 -5.887 1.083) 5.986 2.758 ( 0.000 -4.294 -2.821) 5.138 3.116 ( 0.000 -1.891 2.747) 3.335 3.144 ( 0.000 -2.521 -2.504) 3.553 3.652 ( 0.000 -21.724 14.293) 26.004 3.761 ( 0.000 -9.785 -6.084) 11.522 3.834 ( -0.000 0.109 1.822) 1.826 3.888 ( -0.000 -10.476 -8.892) 13.741 4.647 ( 0.000 6.200 10.471) 12.169 4.759 ( 0.000 4.325 -10.704) 11.545 5.482 ( 0.000 70.682 1.883) 70.707 5.498 ( 0.000 70.267 -1.170) 70.276 7.660 ( -0.000 22.408 2.280) 22.524 7.684 ( -0.000 22.679 -2.253) 22.791 9.848 ( -0.000 -19.146 2.020) 19.252 9.870 ( -0.000 -19.255 -2.119) 19.371 10.837 ( 0.000 0.217 0.202) 0.297 10.839 ( -0.000 0.191 -0.172) 0.257 11.695 ( 0.000 -51.988 2.542) 52.051 11.721 ( 0.000 -52.308 -2.499) 52.368 16.452 ( -0.000 11.487 0.661) 11.506 16.462 ( -0.000 10.856 -1.228) 10.925 17.131 ( 0.000 -8.202 0.399) 8.211 17.136 ( 0.000 -8.243 -0.455) 8.256 17.545 ( -0.000 1.607 0.317) 1.638 17.552 ( -0.000 1.351 -0.936) 1.644 19.390 ( -0.000 5.622 0.642) 5.659 19.391 ( -0.000 5.340 0.568) 5.370 28.139 ( 0.000 1.696 3.008) 3.453 28.172 ( -0.000 0.861 -3.238) 3.351 30.066 ( -0.000 -3.230 4.432) 5.484 30.102 ( -0.000 -4.861 -1.968) 5.244 30.743 ( -0.000 -0.088 6.401) 6.402 30.840 ( -0.000 -3.248 -11.456) 11.907 33.166 ( -0.000 15.943 8.511) 18.073 33.252 ( -0.000 14.486 -7.911) 16.506 ======================= Grid point 796 (295/343) ======================= q-point: (-0.15 -0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.918 7.008 -0.000) 7.068 1.505 ( -2.798 3.183 -0.000) 4.238 1.789 ( 4.568 12.400 -0.000) 13.214 1.842 ( 1.188 12.095 -0.000) 12.153 2.454 ( 6.264 -5.977 0.000) 8.658 2.635 ( -3.078 -0.903 0.000) 3.207 2.711 ( -0.278 -1.181 0.000) 1.213 2.716 ( -0.026 -3.231 0.000) 3.231 3.070 ( 2.772 -2.465 0.000) 3.710 3.166 ( -2.832 -0.301 0.000) 2.848 3.489 ( 6.496 -10.459 0.000) 12.312 3.586 ( 0.458 -22.761 0.000) 22.765 3.819 ( 2.359 0.656 -0.000) 2.449 3.839 ( 1.308 0.805 -0.000) 1.536 4.609 ( 3.025 -2.501 0.000) 3.926 4.955 ( -12.368 4.717 -0.000) 13.237 5.892 ( 7.023 67.408 -0.000) 67.773 5.970 ( 4.428 62.142 -0.000) 62.299 7.859 ( -5.521 25.805 -0.000) 26.389 7.928 ( -8.539 22.240 -0.000) 23.823 9.620 ( 9.336 -24.213 0.000) 25.950 9.656 ( 8.607 -20.778 0.000) 22.490 10.804 ( 3.867 0.161 -0.000) 3.870 10.809 ( 3.358 0.191 -0.000) 3.363 11.354 ( -4.037 -49.880 0.000) 50.043 11.426 ( -7.205 -47.085 0.000) 47.633 16.447 ( 6.022 6.600 -0.000) 8.934 16.515 ( 3.642 8.222 -0.000) 8.992 17.132 ( -6.592 -7.005 0.000) 9.619 17.147 ( -5.059 -1.242 0.000) 5.209 17.539 ( -0.091 1.969 -0.000) 1.971 17.615 ( -4.286 -1.738 0.000) 4.625 19.385 ( 3.285 3.640 -0.000) 4.903 19.429 ( 1.056 5.340 -0.000) 5.443 28.124 ( 2.342 0.823 -0.000) 2.483 28.207 ( -2.728 1.461 -0.000) 3.094 29.845 ( 8.511 -4.240 0.000) 9.509 30.367 ( -18.489 -2.357 0.000) 18.638 30.775 ( -0.939 -0.803 0.000) 1.236 30.817 ( -3.383 -0.861 0.000) 3.491 33.131 ( 14.818 11.058 -0.000) 18.489 33.297 ( 5.517 12.425 -0.000) 13.595 ======================= Grid point 834 (296/343) ======================= q-point: ( 0.38 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 7.060 -0.000 1.388) 7.195 1.416 ( 5.354 -0.000 -0.538) 5.381 1.809 ( 0.278 -0.000 0.439) 0.520 1.846 ( -2.096 0.000 -1.645) 2.665 2.562 ( 1.604 -0.000 6.882) 7.066 2.659 ( -0.331 -0.000 -1.110) 1.158 2.706 ( -3.925 -0.000 11.597) 12.243 3.014 ( 0.895 -0.000 -2.583) 2.734 3.017 ( 1.280 0.000 0.385) 1.337 3.067 ( -0.020 -0.000 -5.546) 5.546 3.384 ( 2.291 -0.000 0.358) 2.319 3.448 ( 5.678 0.000 -2.121) 6.061 3.617 ( 6.866 0.000 2.698) 7.377 3.811 ( 4.079 -0.000 -9.168) 10.035 4.461 ( -1.341 0.000 9.458) 9.552 4.726 ( 5.951 -0.000 -7.897) 9.888 5.900 ( 13.697 0.000 2.379) 13.902 5.990 ( 9.991 0.000 -2.566) 10.315 7.597 ( 20.797 -0.000 3.460) 21.083 7.712 ( 17.733 0.000 -3.611) 18.097 9.477 ( -14.786 -0.000 1.426) 14.855 9.531 ( -16.230 0.000 -1.835) 16.334 10.370 ( 5.007 -0.000 1.221) 5.153 10.410 ( 4.249 -0.000 -1.186) 4.411 11.813 ( -19.765 0.000 1.549) 19.825 11.841 ( -19.608 -0.000 -0.114) 19.609 16.100 ( 4.930 -0.000 0.223) 4.935 16.104 ( 5.938 -0.000 -0.058) 5.939 17.405 ( -0.385 -0.000 -1.060) 1.128 17.412 ( -1.500 -0.000 -1.722) 2.284 17.869 ( -2.725 -0.000 2.060) 3.416 17.894 ( -4.400 0.000 0.281) 4.409 19.151 ( 4.489 -0.000 0.152) 4.492 19.164 ( 5.685 -0.000 -0.650) 5.722 28.061 ( 0.938 -0.000 3.825) 3.938 28.196 ( 1.243 -0.000 -4.344) 4.519 30.289 ( -7.978 -0.000 7.381) 10.868 30.583 ( -5.211 -0.000 -10.796) 11.988 31.139 ( 0.174 -0.000 4.191) 4.194 31.281 ( 1.619 -0.000 -4.548) 4.828 32.145 ( 8.251 -0.000 8.528) 11.867 32.347 ( 11.477 0.000 -4.345) 12.272 ======================= Grid point 849 (297/343) ======================= q-point: ( 0.38 -0.23 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 5.208 1.399 0.358) 5.404 1.506 ( 4.732 0.789 0.539) 4.827 1.792 ( -0.044 2.500 -0.830) 2.635 1.820 ( -0.823 -0.482 -0.843) 1.272 2.594 ( -1.267 0.925 1.611) 2.249 2.618 ( -2.632 2.694 2.982) 4.804 2.688 ( -6.914 -3.849 12.488) 14.785 2.945 ( -4.982 2.916 -8.606) 10.363 3.041 ( 0.565 -1.217 0.153) 1.350 3.064 ( 0.769 -3.261 -2.131) 3.971 3.391 ( 0.394 6.238 2.661) 6.794 3.528 ( 3.264 -3.539 -2.491) 5.421 3.674 ( 11.120 18.276 0.397) 21.397 3.936 ( 1.040 -13.202 -0.704) 13.262 4.474 ( 4.571 5.692 6.895) 10.042 4.782 ( 0.259 -8.287 -8.800) 12.091 6.086 ( 14.124 20.379 -0.506) 24.800 6.175 ( 16.052 11.844 -0.223) 19.950 8.004 ( 21.068 -8.950 -0.063) 22.891 8.147 ( 20.604 -24.368 -0.218) 31.912 9.107 ( -15.799 21.224 -0.230) 26.460 9.247 ( -16.515 2.566 0.236) 16.715 10.479 ( 6.682 0.546 0.729) 6.744 10.500 ( 6.108 -0.228 -0.645) 6.146 11.481 ( -19.136 -6.596 0.661) 20.252 11.551 ( -19.535 -14.169 0.289) 24.134 16.197 ( 6.068 0.766 0.593) 6.145 16.215 ( 6.456 -0.329 -0.346) 6.474 17.335 ( -1.772 6.272 -1.145) 6.618 17.427 ( -1.083 -6.263 -1.236) 6.475 17.758 ( -5.144 7.616 1.043) 9.249 17.867 ( -4.557 -7.445 1.209) 8.812 19.226 ( 4.186 1.646 0.645) 4.544 19.250 ( 4.931 1.198 -1.234) 5.222 28.102 ( 1.305 0.197 3.757) 3.983 28.190 ( 0.817 0.182 -4.262) 4.344 30.179 ( -9.081 -0.009 8.769) 12.624 30.401 ( -9.066 -1.980 -10.692) 14.157 31.163 ( 1.465 4.259 4.358) 6.267 31.306 ( 2.142 -3.418 -3.711) 5.481 32.358 ( 12.602 5.243 7.142) 15.405 32.548 ( 13.254 -2.277 -5.166) 14.406 ======================= Grid point 850 (298/343) ======================= q-point: ( 0.46 -0.23 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.646 -0.000 1.140) 6.743 1.409 ( 6.048 0.000 -0.837) 6.106 1.816 ( -0.671 -0.000 1.007) 1.210 1.829 ( -1.492 0.000 -1.432) 2.068 2.612 ( 1.148 -0.000 3.476) 3.661 2.641 ( 0.323 -0.000 -2.183) 2.207 2.838 ( -1.611 -0.000 12.388) 12.493 2.953 ( 0.523 -0.000 -9.052) 9.067 3.021 ( 0.566 0.000 0.538) 0.781 3.030 ( -0.458 0.000 -1.474) 1.543 3.397 ( 3.700 -0.000 2.048) 4.229 3.423 ( 4.981 0.000 -2.609) 5.623 3.656 ( 6.657 0.000 4.892) 8.261 3.722 ( 5.760 -0.000 -7.534) 9.483 4.556 ( 0.448 0.000 8.585) 8.597 4.643 ( 2.993 -0.000 -8.007) 8.548 5.928 ( 12.184 0.000 2.950) 12.536 5.960 ( 10.868 -0.000 -3.041) 11.286 7.634 ( 19.791 -0.000 3.673) 20.129 7.673 ( 18.750 0.000 -3.729) 19.117 9.493 ( -15.239 -0.000 1.642) 15.327 9.512 ( -15.729 0.000 -1.789) 15.831 10.383 ( 4.781 -0.000 1.275) 4.948 10.397 ( 4.526 -0.000 -1.261) 4.698 11.827 ( -19.673 0.000 1.145) 19.706 11.837 ( -19.616 -0.000 -0.627) 19.626 16.102 ( 5.293 0.000 0.180) 5.296 16.104 ( 5.636 -0.000 -0.120) 5.637 17.397 ( -0.976 0.000 -0.278) 1.015 17.400 ( -1.347 -0.000 -0.695) 1.516 17.886 ( -3.036 -0.000 1.196) 3.263 17.894 ( -3.602 0.000 -0.382) 3.622 19.153 ( 4.816 0.000 0.354) 4.829 19.158 ( 5.227 -0.000 -0.535) 5.255 28.104 ( 0.979 -0.000 4.243) 4.354 28.150 ( 1.079 -0.000 -4.432) 4.561 30.374 ( -6.940 -0.000 8.781) 11.192 30.473 ( -6.000 -0.000 -9.966) 11.632 31.185 ( 0.605 0.000 4.458) 4.499 31.233 ( 1.102 -0.000 -4.554) 4.685 32.227 ( 9.333 -0.000 7.113) 11.735 32.295 ( 10.433 0.000 -5.683) 11.880 ======================= Grid point 863 (299/343) ======================= q-point: ( 0.38 -0.15 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 1.293 4.636 1.123) 4.943 1.553 ( 1.340 3.887 -0.775) 4.184 1.787 ( 0.928 1.044 -0.603) 1.521 1.793 ( -1.429 1.554 -0.515) 2.173 2.460 ( -12.356 4.040 4.368) 13.714 2.611 ( 0.184 -0.192 1.087) 1.119 2.656 ( -5.376 -4.797 5.881) 9.301 2.747 ( -10.230 -3.392 -9.723) 14.516 3.056 ( -0.436 -0.520 0.369) 0.773 3.085 ( 1.121 -1.714 -1.063) 2.307 3.315 ( -1.929 12.017 0.951) 12.208 3.640 ( 3.722 -10.985 0.219) 11.600 3.783 ( 11.396 9.773 0.708) 15.030 3.980 ( 0.307 -0.625 0.938) 1.168 4.642 ( 5.898 -4.494 8.918) 11.598 4.755 ( 0.990 -1.680 -10.673) 10.850 6.144 ( 14.983 34.698 -0.402) 37.797 6.309 ( 15.429 32.539 0.113) 36.012 8.456 ( 12.157 -13.165 -0.759) 17.936 8.590 ( 2.902 -4.590 -0.090) 5.431 8.705 ( -4.311 17.613 0.091) 18.133 8.997 ( -1.012 -9.113 0.652) 9.193 10.601 ( 7.136 0.784 0.183) 7.182 10.613 ( 6.376 -0.317 -0.144) 6.385 11.272 ( -16.104 -23.293 0.333) 28.320 11.349 ( -18.740 -24.631 -0.025) 30.950 16.308 ( 7.116 1.948 0.523) 7.396 16.333 ( 6.978 0.226 -0.302) 6.988 17.251 ( -2.500 5.215 -0.494) 5.805 17.423 ( -5.124 -6.058 -0.514) 7.951 17.626 ( -2.962 6.956 0.514) 7.578 17.831 ( -5.887 -6.775 0.634) 8.998 19.275 ( 3.141 4.089 0.350) 5.168 19.308 ( 3.707 2.375 -0.869) 4.487 28.127 ( 0.324 2.185 1.476) 2.656 28.195 ( 1.691 -1.190 -1.689) 2.670 30.062 ( -8.726 -0.111 6.683) 10.992 30.198 ( -10.397 -4.282 -7.657) 13.604 31.169 ( 1.647 7.377 2.431) 7.940 31.365 ( 2.281 -5.230 -0.600) 5.738 32.560 ( 13.342 10.819 1.711) 17.262 32.808 ( 15.882 -4.011 -1.881) 16.489 ======================= Grid point 864 (300/343) ======================= q-point: ( 0.46 -0.15 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 5.429 1.425 -0.000) 5.613 1.509 ( 4.642 0.986 -0.000) 4.746 1.788 ( -0.315 2.255 -0.000) 2.277 1.815 ( -1.004 -0.673 0.000) 1.209 2.604 ( -2.592 1.744 -0.000) 3.124 2.621 ( -0.847 0.174 -0.000) 0.865 2.827 ( -7.309 2.253 -0.000) 7.648 2.836 ( -6.297 -1.910 0.000) 6.580 3.048 ( 1.050 -1.730 0.000) 2.024 3.049 ( 0.713 -2.173 0.000) 2.287 3.409 ( 1.023 9.010 -0.000) 9.068 3.512 ( 3.191 -6.176 0.000) 6.952 3.676 ( 11.447 18.828 -0.000) 22.035 3.932 ( 2.025 -14.907 0.000) 15.044 4.519 ( 7.021 13.104 -0.000) 14.866 4.727 ( -2.866 -14.729 0.000) 15.005 6.084 ( 13.904 20.817 -0.000) 25.033 6.174 ( 16.254 11.430 -0.000) 19.871 8.003 ( 20.728 -8.334 0.000) 22.340 8.145 ( 20.870 -24.814 0.000) 32.424 9.106 ( -15.794 21.496 -0.000) 26.675 9.248 ( -16.394 2.171 -0.000) 16.537 10.484 ( 6.548 0.947 -0.000) 6.617 10.495 ( 6.247 -0.635 0.000) 6.279 11.485 ( -19.057 -6.181 0.000) 20.034 11.553 ( -19.660 -14.515 0.000) 24.438 16.201 ( 6.298 1.098 -0.000) 6.392 16.213 ( 6.278 -0.651 0.000) 6.311 17.329 ( -1.784 6.232 -0.000) 6.483 17.420 ( -1.141 -6.284 0.000) 6.386 17.764 ( -5.035 7.713 -0.000) 9.211 17.874 ( -4.515 -7.496 0.000) 8.750 19.231 ( 4.388 2.160 -0.000) 4.891 19.242 ( 4.649 0.705 -0.000) 4.702 28.139 ( 0.492 0.929 -0.000) 1.051 28.150 ( 1.617 -0.553 0.000) 1.709 30.256 ( -8.771 3.033 -0.000) 9.281 30.314 ( -9.300 -5.034 0.000) 10.575 31.192 ( 1.987 6.665 -0.000) 6.955 31.280 ( 2.208 -5.835 0.000) 6.238 32.405 ( 12.475 8.816 -0.000) 15.275 32.511 ( 12.859 -5.848 0.000) 14.127 ======================= Grid point 877 (301/343) ======================= q-point: ( 0.38 -0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -7.650 11.721 -0.000) 13.997 1.514 ( -1.067 4.685 -0.000) 4.805 1.752 ( -1.627 1.047 -0.000) 1.935 1.774 ( 0.023 6.621 -0.000) 6.621 2.181 ( -16.998 -1.126 0.000) 17.035 2.542 ( -12.197 -11.878 0.000) 17.025 2.639 ( 0.906 -3.603 0.000) 3.716 2.674 ( 0.158 -2.921 0.000) 2.925 3.042 ( -0.900 0.618 -0.000) 1.092 3.118 ( 1.438 -1.258 0.000) 1.911 3.213 ( -0.682 9.121 -0.000) 9.147 3.774 ( 3.554 -7.071 0.000) 7.914 3.929 ( 6.631 -3.199 0.000) 7.363 4.001 ( 2.220 1.845 -0.000) 2.887 4.605 ( -4.719 6.172 -0.000) 7.769 4.921 ( 10.527 -5.365 0.000) 11.815 6.111 ( 13.719 47.557 -0.000) 49.496 6.224 ( 8.737 53.677 -0.000) 54.383 8.230 ( -8.264 25.336 -0.000) 26.650 8.260 ( -16.475 25.644 -0.000) 30.480 9.087 ( 19.360 -25.284 0.000) 31.845 9.380 ( 14.187 -28.062 0.000) 31.444 10.716 ( 6.074 0.513 -0.000) 6.095 10.721 ( 5.278 -0.904 0.000) 5.355 11.250 ( -15.796 -35.194 0.000) 38.576 11.258 ( -10.751 -40.097 0.000) 41.514 16.423 ( 7.997 4.303 -0.000) 9.081 16.453 ( 7.235 1.912 -0.000) 7.483 17.172 ( -3.097 2.103 -0.000) 3.743 17.301 ( -10.404 -2.445 0.000) 10.687 17.593 ( 1.376 1.601 -0.000) 2.111 17.761 ( -6.972 -5.109 0.000) 8.643 19.281 ( 1.736 6.412 -0.000) 6.643 19.339 ( 2.457 3.771 -0.000) 4.501 28.107 ( -0.222 3.797 -0.000) 3.803 28.239 ( 1.976 -2.162 0.000) 2.929 29.945 ( -6.731 -1.251 0.000) 6.846 30.030 ( -9.764 -5.137 0.000) 11.033 31.140 ( 0.945 8.885 -0.000) 8.935 31.445 ( 2.239 -5.400 0.000) 5.846 32.688 ( 10.574 14.276 -0.000) 17.766 33.136 ( 17.606 -4.519 0.000) 18.176 ======================= Grid point 891 (302/343) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.000 16.125 -0.000) 16.125 1.451 ( 0.000 10.376 -0.000) 10.376 1.686 ( 0.000 4.121 -0.000) 4.121 1.714 ( -0.000 -0.311 0.000) 0.311 1.824 ( -0.000 -6.056 0.000) 6.056 2.320 ( -0.000 -14.469 0.000) 14.469 2.669 ( -0.000 -3.887 0.000) 3.887 2.692 ( -0.000 -4.069 0.000) 4.069 3.023 ( 0.000 1.777 -0.000) 1.777 3.151 ( -0.000 -3.715 0.000) 3.715 3.198 ( 0.000 8.925 -0.000) 8.925 3.835 ( -0.000 -16.273 0.000) 16.273 3.986 ( 0.000 3.766 -0.000) 3.766 4.054 ( 0.000 1.210 -0.000) 1.210 4.583 ( 0.000 11.620 -0.000) 11.620 5.109 ( -0.000 -8.956 0.000) 8.956 6.376 ( 0.000 67.139 -0.000) 67.139 6.448 ( 0.000 60.631 -0.000) 60.631 7.879 ( 0.000 21.783 -0.000) 21.783 8.086 ( 0.000 18.318 -0.000) 18.318 9.521 ( -0.000 -16.433 0.000) 16.433 9.679 ( -0.000 -19.022 0.000) 19.022 10.788 ( -0.000 -21.478 0.000) 21.478 10.822 ( -0.000 -3.007 0.000) 3.007 10.928 ( -0.000 -26.268 0.000) 26.268 11.048 ( -0.000 -48.895 0.000) 48.895 16.649 ( 0.000 7.843 -0.000) 7.843 16.653 ( 0.000 6.293 -0.000) 6.293 17.027 ( -0.000 -5.212 0.000) 5.212 17.049 ( -0.000 -5.842 0.000) 5.842 17.605 ( -0.000 -0.412 0.000) 0.412 17.622 ( -0.000 -0.329 0.000) 0.329 19.309 ( 0.000 6.974 -0.000) 6.974 19.381 ( 0.000 3.604 -0.000) 3.604 28.104 ( 0.000 4.780 -0.000) 4.780 28.278 ( -0.000 -3.070 0.000) 3.070 29.816 ( -0.000 -2.460 0.000) 2.460 29.832 ( -0.000 -2.582 0.000) 2.582 31.156 ( 0.000 9.612 -0.000) 9.612 31.488 ( -0.000 -6.048 0.000) 6.048 32.897 ( 0.000 17.090 -0.000) 17.090 33.527 ( -0.000 -11.509 0.000) 11.509 ======================= Grid point 892 (303/343) ======================= q-point: ( 0.46 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -9.310 14.465 0.678) 17.215 1.528 ( -1.383 5.949 0.194) 6.111 1.720 ( -1.704 -1.599 0.091) 2.339 1.802 ( -4.283 -8.965 1.450) 10.041 1.871 ( -10.895 11.386 0.970) 15.789 2.284 ( -6.835 -14.591 5.277) 16.955 2.638 ( 0.876 -2.242 -0.136) 2.411 2.659 ( 0.545 -3.215 0.131) 3.263 3.042 ( -0.293 2.090 0.150) 2.116 3.120 ( 0.608 -3.065 0.164) 3.129 3.272 ( -0.440 11.754 -1.236) 11.827 3.709 ( 0.488 -16.772 -0.766) 16.797 3.995 ( 1.673 2.640 -0.903) 3.254 4.042 ( 1.541 0.108 -0.794) 1.737 4.657 ( 1.438 12.261 -0.787) 12.370 4.999 ( 4.345 -9.585 0.282) 10.528 6.708 ( 13.213 45.967 0.115) 47.829 6.741 ( 7.200 48.750 0.065) 49.278 8.154 ( -12.836 20.155 0.144) 23.896 8.248 ( -5.824 14.747 -0.106) 15.856 9.263 ( 15.644 -14.628 0.015) 21.418 9.438 ( 11.598 -21.119 -0.272) 24.095 10.666 ( -10.640 -27.464 0.183) 29.453 10.746 ( -6.182 -25.992 0.276) 26.719 10.842 ( 0.031 -12.356 -0.344) 12.360 10.855 ( -0.392 -7.754 0.182) 7.767 16.593 ( 8.203 2.937 -1.531) 8.847 16.607 ( 7.839 2.960 0.960) 8.434 17.091 ( -6.904 -1.160 -0.602) 7.027 17.107 ( -9.159 -1.441 0.640) 9.294 17.614 ( 0.452 0.077 -0.230) 0.513 17.635 ( -3.563 -1.745 -0.321) 3.980 19.346 ( 0.950 5.045 0.493) 5.158 19.392 ( 1.069 1.982 0.573) 2.323 28.136 ( 0.177 4.343 -0.007) 4.346 28.246 ( 0.917 -3.157 -0.137) 3.291 29.828 ( -3.354 -1.481 -2.979) 4.724 29.880 ( -6.087 -2.287 4.507) 7.912 31.210 ( 0.603 8.728 -2.734) 9.166 31.426 ( 0.954 -6.295 -2.768) 6.942 32.959 ( 7.026 15.576 1.847) 17.187 33.343 ( 10.622 -10.590 0.618) 15.012 ======================= Grid point 893 (304/343) ======================= q-point: ( 0.54 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -1.945 5.412 -1.140) 5.863 1.584 ( -0.919 3.402 0.192) 3.529 1.770 ( -3.238 1.399 1.641) 3.890 1.807 ( -0.380 -2.245 2.591) 3.449 2.154 ( -15.626 1.608 -9.526) 18.371 2.459 ( -14.214 -5.799 12.106) 19.551 2.609 ( 0.826 -0.644 -1.180) 1.578 2.650 ( -2.330 -1.589 2.191) 3.571 3.056 ( 0.200 0.998 -0.397) 1.093 3.096 ( 0.487 -1.549 1.497) 2.208 3.360 ( -0.702 11.870 -3.550) 12.409 3.584 ( 0.237 -13.696 -0.139) 13.699 3.957 ( 4.151 4.039 -1.642) 6.020 3.997 ( 2.317 -1.224 -1.705) 3.126 4.645 ( 5.198 2.697 -7.896) 9.831 4.883 ( 3.932 -3.246 8.882) 10.242 6.684 ( 18.051 28.278 0.362) 33.550 6.776 ( 15.702 18.774 -0.061) 24.475 8.489 ( -8.083 8.909 0.793) 12.055 8.515 ( -12.186 7.318 0.399) 14.220 8.869 ( 16.662 -1.399 -0.538) 16.730 9.015 ( 15.370 -19.604 -0.757) 24.922 10.699 ( 0.683 -2.365 0.009) 2.462 10.714 ( 3.464 -2.056 0.231) 4.035 10.828 ( -14.237 -14.315 -1.725) 20.263 10.879 ( -15.076 -15.163 1.412) 21.428 16.447 ( 8.125 0.796 -1.596) 8.319 16.476 ( 8.338 0.692 0.926) 8.417 17.218 ( -6.022 3.364 0.364) 6.907 17.267 ( -8.499 -2.640 0.502) 8.914 17.624 ( -1.367 3.220 -0.763) 3.581 17.685 ( -4.636 -4.603 -0.779) 6.580 19.344 ( 2.384 2.327 -0.501) 3.369 19.381 ( 2.182 1.092 1.896) 3.090 28.150 ( 1.118 2.343 -1.426) 2.962 28.213 ( 0.589 -1.763 1.520) 2.401 29.882 ( -6.336 -0.737 -6.339) 8.993 30.046 ( -9.662 -1.407 8.769) 13.124 31.222 ( 1.567 5.781 -6.213) 8.630 31.356 ( 0.565 -4.577 -1.369) 4.811 32.871 ( 14.003 9.795 -1.125) 17.125 33.061 ( 14.047 -6.472 4.356) 16.068 ======================= Grid point 894 (305/343) ======================= q-point: ( 0.62 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 2.039 -0.000 -1.192) 2.361 1.578 ( 2.582 -0.000 -0.669) 2.667 1.810 ( 0.092 0.000 2.135) 2.137 1.822 ( 0.136 0.000 3.121) 3.124 2.367 ( -14.758 -0.000 -15.343) 21.289 2.586 ( 0.405 -0.000 -2.597) 2.629 2.599 ( -2.055 0.000 1.486) 2.536 2.850 ( -11.797 0.000 10.667) 15.905 3.049 ( 0.382 0.000 0.213) 0.437 3.089 ( 1.342 0.000 1.835) 2.273 3.380 ( -0.467 -0.000 -6.580) 6.597 3.555 ( -0.567 0.000 3.745) 3.788 3.891 ( 5.809 -0.000 -2.506) 6.326 3.925 ( 2.891 -0.000 -0.775) 2.993 4.486 ( 5.053 -0.000 -10.365) 11.531 4.882 ( 3.354 0.000 13.329) 13.744 6.495 ( 17.304 0.000 0.343) 17.307 6.498 ( 18.782 0.000 0.570) 18.791 8.382 ( 18.027 0.000 0.352) 18.031 8.388 ( 21.189 0.000 0.669) 21.199 8.943 ( -13.289 -0.000 -0.580) 13.301 8.945 ( -14.492 -0.000 -0.393) 14.497 10.602 ( 7.011 -0.000 -0.449) 7.026 10.615 ( 6.382 0.000 0.390) 6.394 11.096 ( -20.306 -0.000 -2.069) 20.411 11.149 ( -19.174 0.000 1.090) 19.205 16.309 ( 6.877 -0.000 -1.283) 6.996 16.341 ( 7.489 0.000 0.667) 7.519 17.344 ( -3.228 0.000 1.502) 3.560 17.348 ( -4.209 0.000 1.627) 4.513 17.705 ( -5.035 -0.000 -2.387) 5.572 17.730 ( -4.581 -0.000 -1.048) 4.700 19.295 ( 3.442 -0.000 -0.761) 3.525 19.343 ( 3.872 0.000 2.027) 4.370 28.114 ( 1.880 -0.000 -2.885) 3.443 28.219 ( 0.082 0.000 3.487) 3.488 29.973 ( -8.437 -0.000 -8.032) 11.649 30.276 ( -10.572 0.000 10.984) 15.245 31.174 ( 1.502 -0.000 -7.032) 7.191 31.336 ( 0.339 0.000 1.496) 1.534 32.598 ( 16.588 -0.000 -6.118) 17.680 32.824 ( 14.506 0.000 6.976) 16.097 ======================= Grid point 906 (306/343) ======================= q-point: ( 0.46 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 16.021 3.945) 16.499 1.458 ( 0.000 9.530 1.238) 9.610 1.714 ( 0.000 5.989 5.170) 7.912 1.717 ( 0.000 -0.100 0.595) 0.604 1.838 ( -0.000 -6.710 2.759) 7.255 2.371 ( -0.000 -15.661 9.451) 18.292 2.669 ( -0.000 -3.878 -0.087) 3.879 2.693 ( -0.000 -4.117 0.120) 4.119 3.026 ( 0.000 1.732 0.471) 1.795 3.151 ( -0.000 -3.654 -0.054) 3.655 3.185 ( 0.000 9.013 -2.509) 9.355 3.827 ( -0.000 -16.172 -1.564) 16.247 3.977 ( 0.000 3.658 -1.539) 3.969 4.049 ( -0.000 0.389 -0.965) 1.041 4.581 ( 0.000 11.897 -0.340) 11.902 5.098 ( -0.000 -8.584 -2.141) 8.847 6.380 ( 0.000 66.818 0.718) 66.822 6.448 ( 0.000 60.585 0.103) 60.585 7.882 ( 0.000 21.682 0.564) 21.689 8.083 ( 0.000 18.355 -0.676) 18.367 9.522 ( -0.000 -16.542 0.241) 16.544 9.676 ( -0.000 -19.076 -0.627) 19.087 10.792 ( -0.000 -20.534 0.692) 20.545 10.823 ( -0.000 -2.863 0.150) 2.867 10.928 ( -0.000 -27.114 0.048) 27.114 11.047 ( -0.000 -48.857 -0.221) 48.857 16.644 ( 0.000 7.829 -0.959) 7.887 16.649 ( 0.000 6.259 -0.686) 6.296 17.028 ( -0.000 -5.117 0.093) 5.118 17.050 ( -0.000 -5.767 0.024) 5.767 17.602 ( -0.000 -0.250 -0.624) 0.672 17.620 ( -0.000 -0.296 -0.529) 0.606 19.319 ( 0.000 6.607 1.882) 6.870 19.385 ( 0.000 3.606 0.772) 3.688 28.106 ( 0.000 4.663 0.278) 4.671 28.274 ( -0.000 -2.949 -0.721) 3.036 29.827 ( -0.000 -2.662 2.144) 3.418 29.838 ( -0.000 -2.521 1.289) 2.832 31.130 ( 0.000 9.404 -4.938) 10.621 31.451 ( -0.000 -5.849 -6.837) 8.997 32.924 ( 0.000 16.733 4.973) 17.456 33.524 ( -0.000 -10.337 -0.600) 10.354 ======================= Grid point 907 (307/343) ======================= q-point: ( 0.54 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -7.505 14.055 2.220) 16.087 1.532 ( -1.421 5.128 0.384) 5.336 1.724 ( -1.658 -1.424 0.831) 2.338 1.832 ( -2.794 -7.185 4.036) 8.702 1.896 ( -7.276 10.038 4.073) 13.049 2.384 ( -8.205 -14.308 12.748) 20.846 2.636 ( 1.038 -2.408 -0.262) 2.635 2.662 ( 0.322 -3.196 0.275) 3.224 3.045 ( -0.177 1.818 0.397) 1.869 3.124 ( 0.294 -2.723 0.487) 2.781 3.246 ( -0.377 11.600 -3.664) 12.171 3.693 ( 0.333 -16.835 -2.317) 16.997 3.976 ( 1.746 2.735 -2.488) 4.089 4.025 ( 1.573 -0.341 -2.429) 2.914 4.642 ( 2.786 10.686 -1.865) 11.200 5.004 ( 1.954 -7.770 0.615) 8.036 6.710 ( 13.038 45.922 0.333) 47.739 6.742 ( 7.422 48.391 0.162) 48.958 8.157 ( -12.721 20.056 0.420) 23.754 8.245 ( -6.192 15.018 -0.321) 16.248 9.264 ( 15.549 -15.319 0.066) 21.828 9.432 ( 11.637 -20.804 -0.772) 23.850 10.670 ( -10.263 -28.440 0.525) 30.240 10.752 ( -5.925 -24.560 0.780) 25.277 10.836 ( 0.928 -9.559 -0.677) 9.628 10.857 ( -1.491 -10.672 0.193) 10.778 16.575 ( 8.171 2.661 -1.904) 8.802 16.614 ( 7.536 3.326 0.367) 8.246 17.083 ( -7.762 -1.997 -0.797) 8.054 17.115 ( -8.399 -0.556 0.918) 8.467 17.609 ( 0.416 0.108 -0.653) 0.781 17.628 ( -3.389 -1.606 -0.872) 3.851 19.356 ( 1.470 4.339 1.305) 4.764 19.404 ( 0.792 2.305 1.571) 2.900 28.136 ( 0.367 3.949 -0.025) 3.966 28.243 ( 0.551 -2.759 -0.373) 2.838 29.800 ( -0.973 -1.779 -2.003) 2.850 29.939 ( -8.195 -2.119 6.500) 10.672 31.156 ( 0.556 8.005 -7.287) 10.839 31.369 ( -0.295 -5.587 -7.826) 9.620 32.996 ( 8.100 14.397 4.899) 17.231 33.355 ( 10.175 -8.632 1.623) 13.441 ======================= Grid point 908 (308/343) ======================= q-point: ( 0.62 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -1.365 5.142 -0.834) 5.385 1.584 ( -0.882 2.338 -0.244) 2.510 1.792 ( -4.000 2.744 2.284) 5.362 1.844 ( 0.285 -1.047 4.279) 4.414 2.068 ( -9.794 -1.651 -6.294) 11.759 2.567 ( -5.355 -2.055 6.125) 8.392 2.600 ( 0.771 -1.939 -0.114) 2.089 2.695 ( -9.284 -1.968 7.670) 12.202 3.053 ( 0.153 0.315 -0.090) 0.361 3.115 ( 0.158 -0.786 1.993) 2.148 3.308 ( -0.385 8.618 -6.214) 10.631 3.580 ( -1.032 -10.548 -0.560) 10.613 3.933 ( 3.962 4.055 -2.987) 6.408 3.970 ( 2.220 -1.063 -3.287) 4.106 4.564 ( 7.019 -0.284 -7.135) 10.013 4.980 ( 0.508 -0.745 9.002) 9.047 6.689 ( 17.762 27.576 0.660) 32.808 6.775 ( 15.774 19.499 -0.130) 25.081 8.501 ( -9.030 9.177 1.450) 12.957 8.521 ( -12.606 7.879 0.733) 14.884 8.861 ( 16.867 -3.023 -0.987) 17.164 9.003 ( 16.306 -19.020 -1.393) 25.092 10.699 ( 0.567 -2.773 0.085) 2.832 10.718 ( 3.974 -1.458 0.371) 4.249 10.809 ( -13.669 -14.506 -1.938) 20.025 10.894 ( -15.411 -15.083 1.358) 21.606 16.429 ( 7.876 0.682 -1.679) 8.082 16.484 ( 8.362 0.828 0.537) 8.421 17.223 ( -7.150 2.625 0.581) 7.639 17.275 ( -8.404 -1.665 1.004) 8.626 17.614 ( -0.998 2.600 -1.244) 3.050 17.673 ( -4.312 -4.126 -1.527) 6.161 19.342 ( 2.801 1.779 0.080) 3.319 19.404 ( 2.181 1.458 2.320) 3.503 28.133 ( 1.820 1.301 -1.637) 2.772 28.231 ( -0.444 -0.717 1.801) 1.989 29.821 ( -4.569 -0.938 -5.180) 6.971 30.145 ( -10.942 -1.241 10.035) 14.899 31.142 ( 1.047 4.038 -8.453) 9.426 31.321 ( -1.897 -2.870 -5.503) 6.490 32.864 ( 16.710 6.408 0.023) 17.897 33.116 ( 13.245 -2.766 5.735) 14.696 ======================= Grid point 909 (309/343) ======================= q-point: ( 0.69 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 1.900 -0.000 -0.934) 2.117 1.570 ( 2.668 -0.000 -0.706) 2.760 1.836 ( 0.842 0.000 2.578) 2.712 1.861 ( 1.122 0.000 4.188) 4.335 2.196 ( -11.456 -0.000 -16.827) 20.357 2.569 ( 0.519 -0.000 -0.823) 0.973 2.607 ( -1.154 0.000 0.135) 1.162 2.948 ( -8.787 0.000 7.333) 11.445 3.064 ( -1.549 0.000 3.049) 3.420 3.102 ( 2.191 0.000 0.315) 2.214 3.318 ( -2.579 -0.000 -4.891) 5.530 3.589 ( -1.128 0.000 2.812) 3.030 3.861 ( 5.686 -0.000 -3.141) 6.495 3.908 ( 0.982 -0.000 -2.292) 2.494 4.389 ( 5.691 -0.000 -8.109) 9.907 5.017 ( 2.455 0.000 12.184) 12.429 6.499 ( 16.766 0.000 0.491) 16.773 6.505 ( 19.065 0.000 0.779) 19.081 8.387 ( 17.709 0.000 0.654) 17.721 8.396 ( 22.815 0.000 0.802) 22.829 8.935 ( -13.667 -0.000 -0.835) 13.693 8.940 ( -15.619 -0.000 -0.574) 15.629 10.597 ( 7.251 -0.000 -0.420) 7.263 10.619 ( 6.257 0.000 0.341) 6.266 11.074 ( -20.423 -0.000 -2.044) 20.525 11.158 ( -18.615 -0.000 0.669) 18.627 16.295 ( 6.614 -0.000 -1.241) 6.730 16.347 ( 7.551 0.000 0.412) 7.563 17.365 ( -3.382 0.000 2.532) 4.225 17.369 ( -5.084 0.000 2.355) 5.603 17.676 ( -4.795 -0.000 -3.030) 5.673 17.712 ( -4.234 -0.000 -2.289) 4.813 19.290 ( 3.534 -0.000 -0.244) 3.542 19.365 ( 4.176 0.000 1.980) 4.622 28.086 ( 2.307 -0.000 -2.424) 3.346 28.255 ( -0.577 0.000 3.276) 3.326 29.895 ( -7.689 -0.000 -6.720) 10.211 30.396 ( -10.936 0.000 11.689) 16.007 31.101 ( 0.321 -0.000 -6.742) 6.750 31.332 ( -2.485 -0.000 -2.369) 3.434 32.543 ( 19.078 -0.000 -4.261) 19.548 32.893 ( 15.032 0.000 5.997) 16.184 ======================= Grid point 921 (310/343) ======================= q-point: ( 0.54 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 15.537 6.812) 16.965 1.473 ( -0.000 7.636 1.409) 7.765 1.727 ( 0.000 0.640 1.370) 1.512 1.790 ( 0.000 11.706 8.733) 14.605 1.884 ( 0.000 -9.477 6.234) 11.343 2.508 ( 0.000 -18.446 15.743) 24.251 2.667 ( 0.000 -3.867 -0.256) 3.876 2.695 ( 0.000 -4.406 0.365) 4.421 3.033 ( -0.000 1.587 0.920) 1.834 3.145 ( 0.000 9.290 -4.926) 10.515 3.150 ( -0.000 -3.465 -0.158) 3.468 3.802 ( 0.000 -16.127 -3.105) 16.423 3.954 ( 0.000 3.339 -2.735) 4.316 4.031 ( -0.000 -1.459 -2.432) 2.836 4.578 ( -0.000 12.398 0.127) 12.399 5.065 ( -0.000 -7.505 -4.047) 8.526 6.390 ( -0.000 65.948 1.244) 65.960 6.450 ( -0.000 60.471 0.170) 60.471 7.891 ( -0.000 21.402 1.071) 21.429 8.072 ( -0.000 18.463 -1.283) 18.508 9.526 ( -0.000 -16.847 0.502) 16.854 9.666 ( -0.000 -19.209 -1.186) 19.246 10.802 ( -0.000 -17.631 1.195) 17.671 10.825 ( -0.000 -2.450 0.281) 2.466 10.930 ( -0.000 -29.770 0.192) 29.771 11.043 ( -0.000 -48.755 -0.486) 48.758 16.630 ( -0.000 7.779 -1.547) 7.931 16.639 ( -0.000 6.186 -1.198) 6.301 17.029 ( -0.000 -4.887 0.176) 4.890 17.050 ( -0.000 -5.566 0.017) 5.566 17.593 ( 0.000 0.130 -1.023) 1.031 17.612 ( 0.000 -0.200 -0.966) 0.987 19.346 ( -0.000 5.700 3.091) 6.484 19.397 ( -0.000 3.602 1.367) 3.853 28.110 ( -0.000 4.323 0.569) 4.360 28.263 ( -0.000 -2.596 -1.350) 2.926 29.859 ( 0.000 -2.356 2.529) 3.456 29.860 ( -0.000 -3.212 4.021) 5.146 31.057 ( -0.000 8.818 -8.634) 12.341 31.352 ( -0.000 -5.406 -11.686) 12.876 32.995 ( -0.000 15.862 8.176) 17.845 33.514 ( -0.000 -7.246 -1.113) 7.331 ======================= Grid point 922 (311/343) ======================= q-point: ( 0.62 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -4.626 12.989 3.600) 14.250 1.536 ( -1.442 4.065 0.369) 4.329 1.741 ( -0.937 -0.170 2.460) 2.638 1.883 ( -0.357 -2.835 5.357) 6.071 1.960 ( -3.745 6.257 8.065) 10.873 2.531 ( -7.334 -13.252 13.811) 20.498 2.634 ( 0.792 -3.044 0.143) 3.149 2.668 ( -0.670 -3.968 1.496) 4.293 3.050 ( 0.068 1.282 0.486) 1.372 3.130 ( -0.223 -1.790 0.661) 1.921 3.196 ( -0.400 10.918 -5.703) 12.324 3.660 ( -0.040 -16.882 -3.957) 17.340 3.944 ( 1.836 2.698 -3.526) 4.804 3.991 ( 1.627 -0.731 -3.923) 4.309 4.621 ( 4.686 8.119 -1.956) 9.576 5.010 ( -1.775 -4.957 0.549) 5.294 6.715 ( 12.705 45.787 0.512) 47.520 6.744 ( 7.834 47.823 0.175) 48.461 8.163 ( -12.492 19.865 0.661) 23.476 8.241 ( -6.862 15.513 -0.542) 16.972 9.265 ( 15.371 -16.610 0.160) 22.632 9.422 ( 11.719 -20.168 -1.144) 23.354 10.677 ( -9.639 -30.180 0.785) 31.691 10.762 ( -5.379 -22.013 1.159) 22.690 10.828 ( 1.775 -7.133 -0.789) 7.392 10.858 ( -2.755 -13.326 -0.004) 13.608 16.554 ( 8.069 2.513 -1.917) 8.666 16.615 ( 7.070 3.612 -0.139) 7.941 17.075 ( -8.108 -2.563 -0.725) 8.534 17.125 ( -8.234 0.103 0.944) 8.288 17.600 ( 0.289 0.292 -1.001) 1.082 17.617 ( -3.018 -1.535 -1.155) 3.577 19.372 ( 2.189 3.393 1.728) 4.392 19.424 ( 0.482 2.639 2.145) 3.435 28.136 ( 0.749 3.222 -0.051) 3.309 28.238 ( -0.140 -2.022 -0.511) 2.090 29.786 ( 1.572 -1.929 -0.766) 2.604 30.015 ( -10.291 -2.192 7.936) 13.179 31.064 ( 0.114 7.048 -9.722) 12.008 31.266 ( -1.853 -4.770 -11.557) 12.639 33.057 ( 9.789 12.494 6.475) 17.142 33.375 ( 9.374 -5.342 2.076) 10.987 ======================= Grid point 923 (312/343) ======================= q-point: ( 0.69 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -0.792 4.806 -0.302) 4.880 1.580 ( -0.863 1.405 -0.417) 1.701 1.814 ( -4.127 4.093 1.812) 6.089 1.893 ( 1.737 1.532 4.686) 5.227 2.027 ( -2.301 -5.199 -1.297) 5.832 2.585 ( 1.260 -0.027 0.073) 1.262 2.609 ( 0.022 -2.628 0.424) 2.662 2.805 ( -12.071 -2.092 11.702) 16.942 3.055 ( -0.415 0.010 0.414) 0.586 3.133 ( 0.574 -0.117 0.842) 1.026 3.238 ( -1.412 4.734 -6.305) 8.010 3.571 ( -2.738 -7.198 -1.195) 7.794 3.896 ( 3.661 3.895 -3.893) 6.613 3.929 ( 2.220 -0.831 -4.331) 4.937 4.498 ( 7.863 -2.219 -5.345) 9.763 5.069 ( -2.470 0.534 7.760) 8.161 6.697 ( 17.309 26.399 0.840) 31.579 6.773 ( 15.923 20.710 -0.204) 26.125 8.519 ( -10.854 9.742 1.788) 14.694 8.530 ( -13.010 8.803 0.994) 15.740 8.849 ( 17.225 -5.831 -1.260) 18.229 8.986 ( 17.857 -17.997 -1.783) 25.415 10.701 ( 0.617 -3.081 0.215) 3.150 10.722 ( 4.589 -0.792 0.403) 4.675 10.789 ( -13.247 -14.698 -1.835) 19.872 10.907 ( -15.618 -15.137 1.076) 21.777 16.412 ( 7.643 0.624 -1.518) 7.817 16.487 ( 8.293 0.913 0.218) 8.346 17.229 ( -8.811 1.536 0.581) 8.962 17.288 ( -8.262 -0.170 1.458) 8.391 17.600 ( -0.487 1.911 -1.344) 2.386 17.653 ( -3.776 -3.722 -2.111) 5.707 19.345 ( 3.240 1.429 0.552) 3.584 19.428 ( 2.303 1.572 2.230) 3.570 28.116 ( 2.315 0.731 -1.471) 2.839 28.249 ( -1.409 -0.137 1.668) 2.188 29.773 ( -2.793 -1.035 -3.953) 4.950 30.257 ( -12.034 -1.182 11.198) 16.481 31.051 ( -0.157 3.252 -8.473) 9.078 31.241 ( -4.448 -2.195 -9.601) 10.807 32.873 ( 19.263 4.359 1.444) 19.803 33.176 ( 12.970 -0.247 5.455) 14.072 ======================= Grid point 924 (313/343) ======================= q-point: ( 0.77 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 1.903 -0.000 -0.530) 1.976 1.564 ( 2.794 -0.000 -0.469) 2.833 1.862 ( 1.573 0.000 2.335) 2.815 1.908 ( 2.372 0.000 4.600) 5.175 2.021 ( -6.540 -0.000 -16.092) 17.370 2.568 ( 0.500 0.000 0.536) 0.733 2.603 ( -0.840 -0.000 -0.926) 1.250 2.998 ( -3.647 0.000 2.635) 4.499 3.089 ( 2.408 -0.000 -2.999) 3.846 3.117 ( -4.915 0.000 6.540) 8.181 3.286 ( -4.984 -0.000 -0.979) 5.079 3.616 ( -1.576 0.000 2.476) 2.935 3.825 ( 5.369 -0.000 -3.517) 6.419 3.877 ( -1.135 -0.000 -3.667) 3.839 4.316 ( 6.496 -0.000 -5.755) 8.679 5.135 ( 1.493 0.000 10.015) 10.126 6.504 ( 16.315 0.000 0.503) 16.323 6.513 ( 19.230 0.000 0.824) 19.248 8.395 ( 17.708 0.000 0.793) 17.725 8.404 ( 24.494 0.000 0.778) 24.507 8.926 ( -14.303 -0.000 -0.929) 14.333 8.933 ( -16.904 -0.000 -0.616) 16.916 10.593 ( 7.468 -0.000 -0.356) 7.476 10.622 ( 6.181 0.000 0.278) 6.187 11.054 ( -20.437 -0.000 -1.786) 20.515 11.163 ( -18.067 -0.000 0.334) 18.070 16.283 ( 6.384 -0.000 -1.055) 6.471 16.350 ( 7.555 0.000 0.222) 7.558 17.396 ( -6.313 0.000 2.806) 6.909 17.397 ( -3.762 0.000 3.402) 5.072 17.642 ( -4.162 -0.000 -3.336) 5.334 17.682 ( -3.787 -0.000 -3.332) 5.044 19.290 ( 3.695 0.000 0.105) 3.697 19.384 ( 4.469 0.000 1.678) 4.774 28.064 ( 2.629 -0.000 -1.886) 3.236 28.287 ( -1.177 0.000 2.795) 3.032 29.832 ( -7.039 -0.000 -5.230) 8.769 30.522 ( -10.894 0.000 12.209) 16.363 31.035 ( -0.982 -0.000 -5.696) 5.780 31.286 ( -6.067 -0.000 -6.233) 8.698 32.509 ( 21.899 -0.000 -2.284) 22.018 32.949 ( 15.695 0.000 4.713) 16.387 ======================= Grid point 936 (314/343) ======================= q-point: ( 0.62 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 14.222 7.862) 16.251 1.486 ( -0.000 5.911 1.063) 6.006 1.748 ( -0.000 2.216 2.653) 3.457 1.876 ( 0.000 14.516 6.753) 16.009 1.982 ( 0.000 -8.955 12.582) 15.444 2.658 ( 0.000 -12.083 6.316) 13.634 2.663 ( 0.000 -3.879 -0.430) 3.902 2.729 ( 0.000 -14.490 11.863) 18.727 3.044 ( 0.000 1.538 0.976) 1.821 3.083 ( -0.000 9.602 -6.465) 11.575 3.148 ( 0.000 -3.132 -0.361) 3.153 3.761 ( 0.000 -16.722 -4.736) 17.380 3.922 ( 0.000 2.835 -3.299) 4.349 3.996 ( 0.000 -2.829 -4.253) 5.108 4.587 ( 0.000 12.282 1.648) 12.392 5.014 ( 0.000 -5.806 -5.559) 8.038 6.405 ( 0.000 64.756 1.474) 64.773 6.452 ( -0.000 60.350 0.172) 60.351 7.904 ( 0.000 21.008 1.488) 21.060 8.056 ( 0.000 18.632 -1.767) 18.715 9.533 ( 0.000 -17.293 0.796) 17.311 9.652 ( 0.000 -19.347 -1.619) 19.414 10.816 ( 0.000 -12.787 1.341) 12.857 10.829 ( 0.000 -1.824 0.373) 1.862 10.933 ( 0.000 -34.338 0.522) 34.342 11.036 ( 0.000 -48.621 -0.814) 48.628 16.613 ( 0.000 7.673 -1.614) 7.841 16.625 ( 0.000 6.142 -1.436) 6.308 17.031 ( 0.000 -4.631 0.252) 4.638 17.050 ( 0.000 -5.291 -0.031) 5.291 17.581 ( -0.000 0.517 -1.103) 1.218 17.600 ( 0.000 -0.053 -1.231) 1.232 19.381 ( -0.000 4.665 3.349) 5.743 19.413 ( -0.000 3.568 1.656) 3.933 28.118 ( 0.000 3.783 0.878) 3.884 28.246 ( 0.000 -2.038 -1.815) 2.729 29.891 ( 0.000 -2.141 3.631) 4.215 29.910 ( 0.000 -3.940 5.289) 6.595 30.956 ( 0.000 7.900 -10.170) 12.878 31.214 ( -0.000 -4.884 -14.040) 14.865 33.089 ( 0.000 14.754 9.330) 17.456 33.500 ( 0.000 -3.191 -1.621) 3.579 ======================= Grid point 937 (315/343) ======================= q-point: ( 0.69 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -1.996 10.902 3.733) 11.695 1.539 ( -1.410 3.238 0.349) 3.549 1.778 ( 0.262 2.438 4.679) 5.283 1.938 ( 1.568 2.280 4.951) 5.672 2.062 ( 0.021 1.414 11.125) 11.214 2.611 ( 0.306 -3.750 1.468) 4.039 2.638 ( 0.154 -4.012 -0.147) 4.017 2.744 ( -6.680 -12.561 13.028) 19.291 3.053 ( 0.475 0.920 -0.025) 1.035 3.120 ( 0.317 8.244 -4.951) 9.622 3.149 ( -2.001 0.198 -0.393) 2.049 3.608 ( -0.715 -16.721 -5.840) 17.725 3.905 ( 1.942 2.362 -3.827) 4.899 3.945 ( 1.605 -0.650 -4.659) 4.970 4.603 ( 6.517 5.106 -1.368) 8.391 5.015 ( -5.762 -1.922 0.283) 6.080 6.721 ( 12.238 45.517 0.622) 47.137 6.746 ( 8.387 47.263 0.094) 48.002 8.171 ( -12.151 19.590 0.854) 23.068 8.234 ( -7.727 16.152 -0.752) 17.920 9.267 ( 15.132 -18.337 0.276) 23.776 9.409 ( 11.848 -19.212 -1.306) 22.609 10.686 ( -8.970 -32.422 0.906) 33.652 10.776 ( -4.483 -18.742 1.355) 19.318 10.820 ( 2.547 -4.737 -0.786) 5.435 10.857 ( -4.200 -16.066 -0.259) 16.608 16.535 ( 7.924 2.422 -1.640) 8.446 16.612 ( 6.572 3.835 -0.407) 7.620 17.068 ( -8.224 -2.941 -0.588) 8.754 17.135 ( -8.355 0.611 0.889) 8.424 17.588 ( 0.015 0.646 -1.249) 1.406 17.605 ( -2.440 -1.652 -1.066) 3.134 19.391 ( 2.796 2.630 1.740) 4.214 19.447 ( 0.332 2.766 2.153) 3.521 28.135 ( 1.290 2.299 -0.077) 2.637 28.233 ( -1.046 -1.082 -0.522) 1.593 29.783 ( 4.086 -2.065 0.183) 4.582 30.105 ( -12.421 -2.305 9.022) 15.524 30.959 ( -0.806 6.143 -9.835) 11.624 31.133 ( -2.878 -4.162 -13.424) 14.346 33.126 ( 11.654 10.304 6.484) 16.853 33.396 ( 8.322 -1.533 1.930) 8.679 ======================= Grid point 938 (316/343) ======================= q-point: ( 0.77 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -0.275 4.296 0.070) 4.305 1.575 ( -0.774 0.790 -0.433) 1.188 1.832 ( -0.959 5.288 1.761) 5.656 1.935 ( 4.303 4.776 2.887) 7.047 2.039 ( 2.370 -9.159 3.127) 9.964 2.589 ( 1.226 -0.075 0.600) 1.367 2.606 ( 0.554 -2.373 -0.601) 2.510 2.916 ( -7.936 0.141 8.398) 11.555 3.056 ( -0.548 2.146 -1.515) 2.683 3.120 ( -0.668 -2.924 -1.701) 3.448 3.203 ( -3.583 0.708 0.089) 3.654 3.555 ( -4.916 -3.789 -1.939) 6.503 3.852 ( 3.337 3.182 -4.259) 6.277 3.883 ( 2.468 -0.446 -4.249) 4.934 4.452 ( 8.225 -3.648 -3.508) 9.658 5.141 ( -4.937 1.330 5.895) 7.804 6.706 ( 16.736 24.768 0.859) 29.904 6.770 ( 16.179 22.380 -0.264) 27.617 8.536 ( -14.498 9.863 1.266) 17.581 8.543 ( -12.249 10.870 1.550) 16.450 8.836 ( 17.730 -9.783 -1.278) 20.290 8.967 ( 19.902 -16.546 -1.807) 25.945 10.704 ( 1.082 -3.060 0.367) 3.266 10.726 ( 5.064 -0.233 0.316) 5.079 10.771 ( -13.143 -15.051 -1.560) 20.042 10.916 ( -15.736 -15.247 0.752) 21.924 16.398 ( 7.454 0.590 -1.181) 7.570 16.489 ( 8.181 0.970 0.030) 8.238 17.235 ( -10.524 0.479 0.430) 10.544 17.305 ( -8.274 1.461 1.698) 8.572 17.586 ( -0.028 1.297 -1.127) 1.718 17.629 ( -3.000 -3.568 -2.321) 5.207 19.352 ( 3.637 1.178 0.719) 3.890 19.450 ( 2.468 1.597 1.794) 3.444 28.102 ( 2.644 0.411 -1.150) 2.913 28.265 ( -2.240 0.198 1.332) 2.613 29.737 ( -1.187 -1.106 -2.752) 3.194 30.380 ( -12.977 -1.120 12.263) 17.889 30.969 ( -1.606 2.963 -7.099) 7.858 31.124 ( -6.453 -2.098 -12.388) 14.125 32.892 ( 21.230 3.225 2.029) 21.569 33.228 ( 12.997 1.392 4.344) 13.774 ======================= Grid point 939 (317/343) ======================= q-point: ( 0.85 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 1.970 -0.000 -0.242) 1.985 1.560 ( 2.847 -0.000 -0.247) 2.858 1.866 ( -1.007 -0.000 -12.868) 12.907 1.884 ( 1.815 0.000 1.677) 2.471 1.955 ( 3.707 0.000 4.153) 5.566 2.578 ( 0.848 0.000 1.392) 1.630 2.590 ( -0.843 -0.000 -1.453) 1.680 3.016 ( -1.857 0.000 1.133) 2.175 3.047 ( 0.516 -0.000 -4.449) 4.479 3.185 ( -4.857 0.000 5.903) 7.645 3.291 ( -5.818 0.000 1.396) 5.983 3.644 ( -1.660 0.000 2.788) 3.245 3.789 ( 5.181 -0.000 -3.282) 6.133 3.833 ( -3.458 -0.000 -4.602) 5.756 4.267 ( 7.273 -0.000 -3.563) 8.099 5.225 ( 0.640 0.000 7.080) 7.109 6.509 ( 15.993 0.000 0.399) 15.998 6.522 ( 19.308 0.000 0.685) 19.321 8.403 ( 17.907 0.000 0.715) 17.922 8.412 ( 25.990 0.000 0.610) 25.997 8.916 ( -15.018 -0.000 -0.808) 15.040 8.927 ( -18.118 -0.000 -0.515) 18.126 10.590 ( 7.640 0.000 -0.259) 7.644 10.625 ( 6.142 0.000 0.200) 6.145 11.038 ( -20.397 -0.000 -1.321) 20.440 11.166 ( -17.605 -0.000 0.123) 17.606 16.273 ( 6.213 -0.000 -0.758) 6.259 16.352 ( 7.529 0.000 0.103) 7.530 17.427 ( -8.066 0.000 2.910) 8.575 17.436 ( -4.422 0.000 3.998) 5.961 17.607 ( -2.894 -0.000 -3.265) 4.364 17.643 ( -3.136 -0.000 -4.024) 5.102 19.292 ( 3.867 0.000 0.236) 3.874 19.399 ( 4.703 0.000 1.197) 4.853 28.047 ( 2.850 -0.000 -1.291) 3.129 28.313 ( -1.660 0.000 2.047) 2.636 29.785 ( -6.537 -0.000 -3.584) 7.455 30.652 ( -10.151 0.000 12.330) 15.971 30.983 ( -2.110 -0.000 -4.098) 4.609 31.205 ( -9.843 -0.000 -9.096) 13.402 32.493 ( 24.307 0.000 -0.855) 24.322 32.991 ( 16.298 0.000 3.240) 16.617 ======================= Grid point 952 (318/343) ======================= q-point: ( 0.69 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -0.000 11.685 6.756) 13.498 1.495 ( 0.000 4.845 0.643) 4.887 1.785 ( -0.000 4.915 4.549) 6.697 1.932 ( -0.000 12.270 4.056) 12.923 2.136 ( -0.000 -3.752 16.064) 16.496 2.659 ( -0.000 -3.862 -0.278) 3.872 2.666 ( -0.000 -5.771 -1.304) 5.917 2.886 ( -0.000 -19.253 9.469) 21.455 3.021 ( 0.000 5.104 0.349) 5.116 3.065 ( 0.000 1.285 1.654) 2.094 3.142 ( -0.000 -2.640 -0.691) 2.729 3.701 ( -0.000 -18.376 -6.899) 19.628 3.888 ( -0.000 2.221 -3.059) 3.780 3.945 ( -0.000 -2.490 -5.268) 5.827 4.615 ( -0.000 10.893 3.670) 11.495 4.949 ( -0.000 -3.576 -6.604) 7.510 6.420 ( -0.000 63.489 1.414) 63.504 6.453 ( -0.000 60.308 0.080) 60.308 7.922 ( -0.000 20.570 1.812) 20.650 8.036 ( -0.000 18.849 -2.096) 18.966 9.543 ( -0.000 -17.810 1.113) 17.845 9.633 ( -0.000 -19.410 -1.887) 19.502 10.829 ( -0.000 -6.935 1.068) 7.017 10.833 ( -0.000 -1.069 0.407) 1.144 10.941 ( -0.000 -40.024 1.048) 40.038 11.026 ( -0.000 -48.486 -1.189) 48.501 16.598 ( 0.000 7.486 -1.249) 7.589 16.610 ( 0.000 6.186 -1.388) 6.340 17.034 ( -0.000 -4.438 0.316) 4.450 17.049 ( -0.000 -4.996 -0.107) 4.997 17.571 ( -0.000 0.757 -0.890) 1.169 17.586 ( -0.000 0.131 -1.265) 1.272 19.414 ( -0.000 3.843 2.803) 4.757 19.430 ( 0.000 3.483 1.578) 3.824 28.129 ( -0.000 3.081 1.204) 3.308 28.226 ( -0.000 -1.314 -2.080) 2.460 29.934 ( -0.000 -1.984 4.405) 4.831 29.967 ( -0.000 -4.544 5.415) 7.069 30.852 ( -0.000 6.569 -8.998) 11.141 31.064 ( 0.000 -4.175 -14.187) 14.789 33.186 ( 0.000 13.476 9.009) 16.211 33.480 ( 0.000 0.934 -2.317) 2.498 ======================= Grid point 953 (319/343) ======================= q-point: ( 0.77 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.510 8.210 2.540) 8.609 1.543 ( -1.360 2.725 0.327) 3.063 1.838 ( 1.818 5.756 6.552) 8.909 1.981 ( 2.911 5.959 2.937) 7.253 2.185 ( 4.059 -2.814 11.672) 12.674 2.614 ( 0.458 -2.973 -0.615) 3.070 2.634 ( 0.494 -2.478 0.132) 2.530 2.863 ( -4.824 -8.460 6.035) 11.457 3.036 ( 1.536 3.008 -1.994) 3.922 3.093 ( -2.024 0.344 2.004) 2.869 3.157 ( -2.705 -1.356 1.193) 3.253 3.536 ( -1.759 -15.946 -8.060) 17.954 3.867 ( 2.086 1.687 -3.272) 4.232 3.898 ( 1.424 -0.141 -4.073) 4.317 4.593 ( 8.037 2.201 -0.679) 8.360 5.016 ( -9.236 0.792 0.051) 9.270 6.727 ( 11.660 45.073 0.641) 46.561 6.746 ( 9.039 46.943 -0.059) 47.806 8.181 ( -11.693 19.239 0.994) 22.535 8.225 ( -8.668 16.842 -0.928) 18.965 9.271 ( 14.874 -20.247 0.343) 25.126 9.395 ( 12.009 -18.008 -1.185) 21.677 10.695 ( -8.458 -34.916 0.828) 35.936 10.790 ( -3.108 -14.971 1.280) 15.344 10.812 ( 3.295 -1.998 -0.609) 3.902 10.852 ( -6.011 -19.453 -0.498) 20.367 16.520 ( 7.789 2.362 -1.168) 8.223 16.608 ( 6.142 3.992 -0.426) 7.338 17.063 ( -8.220 -3.174 -0.411) 8.821 17.143 ( -8.617 0.983 0.724) 8.703 17.575 ( -0.175 0.908 -1.195) 1.511 17.596 ( -1.944 -1.753 -0.760) 2.726 19.408 ( 3.198 2.146 1.393) 4.095 19.468 ( 0.329 2.739 1.675) 3.227 28.134 ( 1.881 1.384 -0.083) 2.337 28.228 ( -1.974 -0.147 -0.415) 2.022 29.788 ( 6.348 -2.187 0.652) 6.746 30.202 ( -14.825 -2.342 9.256) 17.633 30.864 ( -1.803 5.125 -7.932) 9.614 30.991 ( -2.991 -3.558 -13.011) 13.816 33.189 ( 13.457 8.098 5.198) 16.543 33.414 ( 7.117 2.113 1.355) 7.546 ======================= Grid point 954 (320/343) ======================= q-point: ( 0.85 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.084 3.681 0.180) 3.687 1.571 ( -0.505 0.457 -0.328) 0.756 1.853 ( 5.320 6.676 2.208) 8.818 1.952 ( 5.778 4.739 0.522) 7.491 2.081 ( 3.968 -10.111 4.231) 11.657 2.584 ( 0.464 -1.402 -1.416) 2.046 2.615 ( 1.295 -1.239 2.210) 2.845 2.960 ( -2.684 6.751 -1.370) 7.394 3.017 ( 0.164 0.252 -2.457) 2.475 3.147 ( -6.054 -9.284 5.441) 12.347 3.216 ( -3.593 0.146 1.488) 3.891 3.531 ( -7.652 0.096 -2.487) 8.047 3.810 ( 3.319 1.745 -3.543) 5.159 3.844 ( 2.798 0.127 -2.993) 4.100 4.423 ( 8.368 -4.596 -1.930) 9.740 5.191 ( -6.703 1.822 3.665) 7.854 6.715 ( 16.121 22.848 0.678) 27.972 6.768 ( 16.533 24.333 -0.259) 29.419 8.546 ( -16.252 10.112 0.710) 19.154 8.560 ( -13.479 13.208 1.440) 18.927 8.823 ( 18.303 -14.267 -0.979) 23.227 8.950 ( 22.041 -14.909 -1.376) 26.645 10.708 ( 2.436 -2.330 0.483) 3.405 10.728 ( 4.603 -0.331 0.075) 4.616 10.756 ( -13.214 -15.472 -1.079) 20.375 10.922 ( -15.797 -15.361 0.437) 22.039 16.388 ( 7.325 0.570 -0.740) 7.385 16.488 ( 8.073 1.004 -0.034) 8.136 17.238 ( -11.836 -0.243 0.242) 11.841 17.322 ( -8.553 2.857 1.469) 9.136 17.577 ( 0.111 0.770 -0.718) 1.059 17.606 ( -1.950 -3.630 -1.923) 4.547 19.359 ( 3.933 1.010 0.578) 4.102 19.465 ( 2.613 1.596 1.143) 3.268 28.092 ( 2.845 0.238 -0.730) 2.947 28.277 ( -2.858 0.386 0.858) 3.009 29.715 ( 0.051 -1.155 -1.609) 1.981 30.514 ( -14.032 -0.985 13.005) 19.157 30.904 ( -3.057 3.181 -5.186) 6.808 30.987 ( -7.206 -2.587 -13.133) 15.202 32.912 ( 22.506 2.633 1.654) 22.720 33.266 ( 13.118 2.396 2.771) 13.619 ======================= Grid point 955 (321/343) ======================= q-point: ( 0.92 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 2.033 -0.000 -0.089) 2.035 1.558 ( 2.721 -0.000 -0.120) 2.724 1.758 ( 2.905 -0.000 -7.258) 7.817 1.898 ( 2.422 0.000 0.907) 2.586 1.991 ( 4.807 0.000 2.559) 5.445 2.575 ( -1.023 -0.000 -1.118) 1.515 2.593 ( 1.513 0.000 1.245) 1.959 3.005 ( -1.715 -0.000 -3.060) 3.508 3.025 ( -1.487 0.000 0.543) 1.583 3.235 ( -3.762 0.000 3.322) 5.019 3.307 ( -6.101 0.000 1.313) 6.241 3.676 ( -0.390 0.000 3.399) 3.422 3.760 ( 5.225 -0.000 -2.069) 5.620 3.783 ( -6.559 -0.000 -4.681) 8.058 4.240 ( 7.806 -0.000 -1.670) 7.982 5.282 ( 0.055 0.000 3.657) 3.657 6.513 ( 15.806 0.000 0.218) 15.808 6.527 ( 19.336 0.000 0.388) 19.340 8.409 ( 18.141 0.000 0.424) 18.146 8.417 ( 27.036 0.000 0.334) 27.039 8.909 ( -15.588 -0.000 -0.473) 15.595 8.923 ( -18.995 -0.000 -0.292) 18.998 10.588 ( 7.750 0.000 -0.137) 7.751 10.627 ( 6.127 0.000 0.105) 6.128 11.027 ( -20.349 -0.000 -0.701) 20.361 11.166 ( -17.298 -0.000 0.027) 17.298 16.267 ( 6.109 -0.000 -0.394) 6.122 16.353 ( 7.501 0.000 0.038) 7.501 17.455 ( -10.678 0.000 2.330) 10.929 17.479 ( -5.690 0.000 3.932) 6.916 17.575 ( -0.599 -0.000 -2.506) 2.577 17.600 ( -1.901 -0.000 -3.972) 4.403 19.294 ( 3.994 0.000 0.173) 3.998 19.409 ( 4.851 0.000 0.618) 4.890 28.037 ( 2.978 -0.000 -0.656) 3.049 28.329 ( -1.974 0.000 1.084) 2.252 29.757 ( -6.220 -0.000 -1.822) 6.481 30.777 ( -7.898 0.000 10.986) 13.530 30.950 ( -2.862 -0.000 -2.138) 3.572 31.103 ( -14.050 -0.000 -9.644) 17.041 32.488 ( 25.838 0.000 -0.184) 25.839 33.017 ( 16.711 0.000 1.649) 16.792 ======================= Grid point 957 (322/343) ======================= q-point: ( 0.00 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 2.057 0.000 -0.000) 2.057 1.557 ( 2.581 0.000 -0.000) 2.581 1.719 ( 4.568 0.000 -0.000) 4.568 1.902 ( 2.548 0.000 -0.000) 2.548 2.005 ( 5.249 0.000 -0.000) 5.249 2.569 ( -1.135 -0.000 0.000) 1.135 2.601 ( 1.898 0.000 -0.000) 1.898 2.988 ( -2.686 -0.000 0.000) 2.686 3.027 ( -1.427 -0.000 0.000) 1.427 3.253 ( -3.250 -0.000 0.000) 3.250 3.314 ( -6.228 -0.000 0.000) 6.228 3.704 ( 5.055 0.000 -0.000) 5.055 3.748 ( -12.706 -0.000 0.000) 12.706 3.748 ( 5.299 0.000 -0.000) 5.299 4.231 ( 7.990 0.000 -0.000) 7.990 5.302 ( -0.154 -0.000 0.000) 0.154 6.514 ( 15.747 0.000 -0.000) 15.747 6.529 ( 19.342 0.000 -0.000) 19.342 8.412 ( 18.242 0.000 -0.000) 18.242 8.419 ( 27.414 0.000 -0.000) 27.414 8.907 ( -15.806 -0.000 0.000) 15.806 8.921 ( -19.317 -0.000 0.000) 19.317 10.587 ( 7.787 0.000 -0.000) 7.787 10.627 ( 6.124 0.000 -0.000) 6.124 11.023 ( -20.328 -0.000 0.000) 20.328 11.166 ( -17.190 -0.000 0.000) 17.190 16.265 ( 6.075 0.000 -0.000) 6.075 16.353 ( 7.490 0.000 -0.000) 7.490 17.469 ( -12.894 -0.000 0.000) 12.894 17.506 ( -7.794 -0.000 0.000) 7.794 17.560 ( 1.508 0.000 -0.000) 1.508 17.572 ( 0.188 0.000 -0.000) 0.188 19.295 ( 4.041 0.000 -0.000) 4.041 19.412 ( 4.901 0.000 -0.000) 4.901 28.033 ( 3.019 0.000 -0.000) 3.019 28.335 ( -2.083 -0.000 0.000) 2.083 29.747 ( -6.111 -0.000 0.000) 6.111 30.851 ( -3.922 -0.000 0.000) 3.922 30.938 ( -3.125 -0.000 0.000) 3.125 31.035 ( -18.691 -0.000 0.000) 18.691 32.488 ( 26.354 0.000 -0.000) 26.354 33.026 ( 16.857 0.000 -0.000) 16.857 ======================= Grid point 970 (323/343) ======================= q-point: ( 0.77 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -0.000 8.488 4.291) 9.511 1.499 ( -0.000 4.443 0.128) 4.444 1.842 ( -0.000 8.165 6.049) 10.162 1.959 ( -0.000 11.858 0.959) 11.897 2.309 ( -0.000 -1.330 16.407) 16.461 2.643 ( 0.000 -5.678 -3.173) 6.504 2.660 ( 0.000 -3.485 0.709) 3.557 2.846 ( -0.000 1.850 -9.966) 10.136 3.081 ( -0.000 0.014 2.042) 2.042 3.133 ( -0.000 -1.995 -1.113) 2.284 3.153 ( -0.000 -17.634 17.153) 24.601 3.612 ( -0.000 -20.482 -10.023) 22.803 3.860 ( 0.000 1.602 -1.994) 2.558 3.892 ( 0.000 -0.919 -4.350) 4.446 4.663 ( 0.000 8.379 5.445) 9.993 4.877 ( -0.000 -0.900 -7.154) 7.210 6.434 ( 0.000 62.338 1.148) 62.349 6.453 ( -0.000 60.430 -0.118) 60.430 7.942 ( 0.000 20.143 2.053) 20.247 8.012 ( 0.000 19.109 -2.267) 19.243 9.556 ( 0.000 -18.327 1.431) 18.383 9.612 ( 0.000 -19.346 -1.978) 19.446 10.837 ( 0.000 -0.316 0.364) 0.481 10.838 ( 0.000 -2.284 0.553) 2.350 10.955 ( 0.000 -44.722 1.582) 44.750 11.011 ( -0.000 -48.349 -1.555) 48.374 16.587 ( 0.000 7.219 -0.646) 7.248 16.597 ( 0.000 6.343 -1.097) 6.437 17.038 ( 0.000 -4.352 0.351) 4.366 17.048 ( 0.000 -4.725 -0.197) 4.729 17.563 ( -0.000 0.813 -0.462) 0.935 17.574 ( -0.000 0.337 -1.052) 1.104 19.439 ( 0.000 3.365 1.798) 3.815 19.445 ( 0.000 3.356 1.132) 3.542 28.143 ( 0.000 2.259 1.529) 2.728 28.203 ( 0.000 -0.473 -2.146) 2.198 29.981 ( 0.000 -2.079 4.442) 4.905 30.017 ( 0.000 -4.576 3.688) 5.878 30.777 ( 0.000 4.573 -4.809) 6.636 30.923 ( 0.000 -2.985 -12.292) 12.650 33.276 ( 0.000 11.950 7.839) 14.292 33.450 ( 0.000 4.602 -3.346) 5.690 ======================= Grid point 971 (324/343) ======================= q-point: ( 0.85 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.006 6.191 1.118) 6.291 1.546 ( -1.301 2.453 0.223) 2.785 1.909 ( 3.317 8.448 6.560) 11.199 1.995 ( 3.660 8.063 -0.518) 8.870 2.294 ( 8.040 -7.066 8.303) 13.546 2.599 ( -0.322 -3.617 -1.698) 4.009 2.653 ( 0.431 -0.396 3.437) 3.486 2.839 ( -2.557 5.546 -7.289) 9.509 3.041 ( 2.635 -1.254 1.051) 3.102 3.150 ( -3.331 -3.883 4.590) 6.873 3.183 ( -4.074 -8.896 6.787) 11.908 3.440 ( -3.319 -13.765 -9.981) 17.324 3.839 ( 2.204 0.887 -1.890) 3.036 3.863 ( 1.196 0.428 -2.309) 2.636 4.588 ( 9.081 0.066 -0.227) 9.084 5.016 ( -11.612 2.703 -0.034) 11.923 6.734 ( 10.987 44.240 0.544) 45.587 6.744 ( 9.760 47.245 -0.219) 48.243 8.192 ( -11.109 18.828 1.075) 21.888 8.215 ( -9.588 17.491 -1.046) 19.974 9.274 ( 14.661 -21.900 0.258) 26.356 9.385 ( 12.155 -16.843 -0.729) 20.784 10.702 ( -8.207 -37.165 0.511) 38.063 10.800 ( -0.315 -9.350 0.384) 9.363 10.809 ( 3.307 -0.164 0.213) 3.318 10.847 ( -8.490 -24.224 -0.545) 25.674 16.511 ( 7.698 2.325 -0.601) 8.064 16.604 ( 5.856 4.084 -0.260) 7.144 17.060 ( -8.178 -3.298 -0.211) 8.820 17.150 ( -8.870 1.217 0.417) 8.963 17.565 ( -0.156 1.010 -0.729) 1.256 17.590 ( -1.726 -1.778 -0.394) 2.509 19.419 ( 3.417 1.884 0.773) 3.978 19.481 ( 0.375 2.683 0.900) 2.854 28.133 ( 2.347 0.711 -0.055) 2.453 28.224 ( -2.674 0.542 -0.226) 2.738 29.795 ( 8.002 -2.276 0.542) 8.337 30.291 ( -17.740 -2.178 7.072) 19.222 30.798 ( -1.835 3.084 -4.520) 5.772 30.871 ( -2.489 -2.021 -9.106) 9.654 33.232 ( 14.939 6.241 2.916) 16.451 33.424 ( 5.991 4.933 0.639) 7.786 ======================= Grid point 972 (325/343) ======================= q-point: ( 0.92 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.239 3.245 0.085) 3.255 1.569 ( -0.247 0.331 -0.124) 0.431 1.874 ( 11.770 8.389 1.331) 14.515 1.951 ( 4.091 3.007 -0.376) 5.091 2.115 ( 4.779 -9.871 1.866) 11.125 2.571 ( 0.248 -1.768 -0.776) 1.946 2.638 ( 1.943 -1.389 1.619) 2.886 2.920 ( -2.451 8.112 -3.147) 9.040 3.014 ( 0.108 -0.463 0.297) 0.561 3.199 ( -5.980 -11.753 3.101) 13.547 3.228 ( -3.578 -0.011 0.670) 3.640 3.508 ( -10.223 3.837 -1.459) 11.017 3.783 ( 3.588 0.539 -1.380) 3.882 3.822 ( 2.954 0.437 -1.080) 3.176 4.410 ( 8.417 -5.062 -0.610) 9.841 5.217 ( -7.622 2.061 1.242) 7.993 6.720 ( 15.659 21.301 0.268) 26.439 6.765 ( 16.849 25.900 -0.117) 30.898 8.551 ( -16.954 10.468 0.254) 19.927 8.571 ( -14.807 14.810 0.562) 20.949 8.816 ( 18.726 -17.552 -0.373) 25.669 8.939 ( 23.495 -13.726 -0.520) 27.216 10.713 ( 5.420 -0.321 0.334) 5.440 10.727 ( 1.136 -2.699 -0.146) 2.932 10.749 ( -12.277 -14.986 -0.360) 19.376 10.925 ( -15.824 -15.434 0.142) 22.105 16.383 ( 7.262 0.561 -0.251) 7.288 16.488 ( 8.009 1.020 -0.020) 8.074 17.240 ( -12.524 -0.583 0.076) 12.538 17.333 ( -8.879 3.723 0.604) 9.647 17.572 ( -0.204 0.356 -0.236) 0.473 17.592 ( -0.846 -3.696 -0.778) 3.870 19.364 ( 4.091 0.924 0.219) 4.200 19.473 ( 2.696 1.591 0.391) 3.155 28.087 ( 2.939 0.162 -0.250) 2.955 28.283 ( -3.189 0.471 0.296) 3.237 29.703 ( 0.730 -1.182 -0.528) 1.486 30.647 ( -17.014 -0.601 11.246) 20.404 30.831 ( -5.119 1.052 -9.979) 11.265 30.887 ( -3.886 -0.926 -3.205) 5.121 32.924 ( 23.123 2.381 0.626) 23.254 33.286 ( 13.207 2.876 0.950) 13.549 ======================= Grid point 985 (326/343) ======================= q-point: ( 0.85 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -0.000 6.012 2.067) 6.357 1.497 ( -0.000 4.752 -0.675) 4.800 1.905 ( -0.000 10.595 5.501) 11.938 1.950 ( -0.000 11.684 -2.718) 11.996 2.473 ( -0.000 -1.438 14.117) 14.190 2.590 ( 0.000 -4.495 -7.654) 8.876 2.679 ( 0.000 -1.744 3.272) 3.708 2.741 ( -0.000 2.200 -8.713) 8.987 3.101 ( 0.000 -0.465 1.812) 1.871 3.119 ( 0.000 -1.239 -1.526) 1.966 3.332 ( -0.000 -21.201 16.202) 26.683 3.489 ( -0.000 -21.607 -13.449) 25.451 3.848 ( 0.000 1.031 -0.207) 1.052 3.858 ( 0.000 0.340 -2.095) 2.122 4.727 ( -0.000 5.300 6.626) 8.485 4.801 ( -0.000 2.114 -7.177) 7.482 6.444 ( -0.000 61.421 0.783) 61.426 6.450 ( -0.000 60.786 -0.417) 60.788 7.964 ( -0.000 19.753 2.218) 19.877 7.988 ( -0.000 19.409 -2.298) 19.545 9.573 ( -0.000 -18.784 1.710) 18.862 9.592 ( -0.000 -19.133 -1.908) 19.228 10.840 ( 0.000 0.180 0.213) 0.279 10.841 ( 0.000 -0.140 0.086) 0.165 10.974 ( 0.000 -47.178 1.859) 47.215 10.993 ( 0.000 -48.069 -1.818) 48.103 16.584 ( -0.000 6.906 0.017) 6.906 16.588 ( -0.000 6.596 -0.621) 6.625 17.042 ( -0.000 -4.379 0.339) 4.392 17.045 ( -0.000 -4.510 -0.282) 4.519 17.561 ( 0.000 0.721 0.083) 0.726 17.565 ( -0.000 0.545 -0.628) 0.831 19.451 ( -0.000 3.197 0.667) 3.266 19.453 ( -0.000 3.232 0.357) 3.252 28.161 ( -0.000 1.362 1.823) 2.276 28.181 ( -0.000 0.435 -2.046) 2.091 30.022 ( 0.000 -2.679 3.035) 4.048 30.039 ( 0.000 -3.761 0.189) 3.766 30.760 ( -0.000 1.814 1.761) 2.528 30.813 ( 0.000 -0.982 -8.130) 8.189 33.350 ( -0.000 10.047 6.293) 11.855 33.408 ( -0.000 7.633 -4.715) 8.972 ======================= Grid point 986 (327/343) ======================= q-point: (-0.08 -0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.100 5.503 -0.000) 5.504 1.547 ( -1.268 2.363 -0.000) 2.681 1.963 ( 5.391 12.105 -0.000) 13.251 1.974 ( 2.433 6.080 -0.000) 6.548 2.342 ( 10.165 -9.566 0.000) 13.959 2.589 ( -0.856 -3.449 0.000) 3.554 2.686 ( 1.418 -1.065 0.000) 1.774 2.781 ( -3.906 9.930 -0.000) 10.670 3.046 ( 2.807 -1.026 0.000) 2.988 3.164 ( -3.299 -0.278 0.000) 3.311 3.265 ( -2.029 -21.544 0.000) 21.639 3.355 ( -6.014 -7.208 0.000) 9.388 3.829 ( 2.239 0.512 -0.000) 2.296 3.851 ( 1.105 0.671 -0.000) 1.293 4.587 ( 9.460 -0.723 0.000) 9.487 5.016 ( -12.460 3.397 -0.000) 12.915 6.738 ( 10.372 42.380 -0.000) 43.630 6.742 ( 10.392 48.915 -0.000) 50.007 8.203 ( -10.160 21.051 -0.000) 23.375 8.204 ( -10.658 15.354 -0.000) 18.690 9.275 ( 14.576 -22.596 0.000) 26.890 9.381 ( 12.216 -16.322 0.000) 20.387 10.705 ( -8.152 -38.146 0.000) 39.007 10.801 ( 1.864 -4.509 0.000) 4.879 10.812 ( 3.266 0.051 -0.000) 3.266 10.843 ( -10.476 -28.143 0.000) 30.030 16.508 ( 7.667 2.312 -0.000) 8.008 16.603 ( 5.757 4.114 -0.000) 7.076 17.059 ( -8.156 -3.336 0.000) 8.812 17.152 ( -8.975 1.298 -0.000) 9.068 17.561 ( -0.116 1.034 -0.000) 1.040 17.588 ( -1.676 -1.780 0.000) 2.445 19.424 ( 3.486 1.801 -0.000) 3.924 19.486 ( 0.399 2.660 -0.000) 2.689 28.133 ( 2.524 0.464 -0.000) 2.566 28.223 ( -2.936 0.795 -0.000) 3.041 29.798 ( 8.623 -2.310 0.000) 8.927 30.333 ( -19.666 -1.970 0.000) 19.765 30.773 ( -0.459 0.152 -0.000) 0.484 30.819 ( -2.828 0.580 -0.000) 2.887 33.248 ( 15.562 5.456 -0.000) 16.491 33.428 ( 5.485 6.054 -0.000) 8.169 ======================= Grid point 1053 (328/343) ======================= q-point: ( 0.46 -0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 2.306 -0.000 0.857) 2.460 1.582 ( 2.511 -0.000 0.037) 2.511 1.794 ( -0.446 -0.000 -0.687) 0.819 1.798 ( -0.446 0.000 -1.386) 1.456 2.506 ( -12.756 -0.000 10.088) 16.263 2.574 ( -4.883 -0.000 -3.663) 6.104 2.632 ( -3.137 -0.000 6.794) 7.484 2.732 ( -10.752 -0.000 -11.264) 15.571 3.054 ( 0.793 -0.000 1.059) 1.323 3.069 ( 0.966 -0.000 -1.794) 2.038 3.449 ( 0.208 -0.000 6.253) 6.256 3.509 ( -0.022 -0.000 -5.049) 5.049 3.913 ( 5.437 0.000 1.694) 5.695 3.925 ( 4.438 -0.000 -0.608) 4.480 4.606 ( 4.572 -0.000 12.217) 13.045 4.741 ( 4.060 -0.000 -13.309) 13.914 6.492 ( 17.864 0.000 -0.075) 17.864 6.493 ( 18.374 -0.000 -0.257) 18.376 8.380 ( 18.720 -0.000 0.029) 18.720 8.382 ( 19.789 0.000 -0.395) 19.793 8.947 ( -13.278 -0.000 0.241) 13.280 8.948 ( -13.684 0.000 0.105) 13.684 10.606 ( 6.772 -0.000 0.449) 6.787 10.611 ( 6.556 -0.000 -0.427) 6.570 11.117 ( -20.058 0.000 1.877) 20.145 11.135 ( -19.672 -0.000 -1.523) 19.731 16.322 ( 7.136 -0.000 1.172) 7.232 16.333 ( 7.349 -0.000 -0.944) 7.410 17.334 ( -3.304 0.000 -0.398) 3.328 17.335 ( -3.625 -0.000 -0.680) 3.689 17.725 ( -5.022 -0.000 1.431) 5.222 17.734 ( -4.851 0.000 -0.242) 4.857 19.306 ( 3.465 0.000 1.328) 3.710 19.323 ( 3.617 -0.000 -1.792) 4.036 28.147 ( 1.352 0.000 3.243) 3.513 28.182 ( 0.741 -0.000 -3.460) 3.538 30.063 ( -9.221 -0.000 9.168) 13.003 30.165 ( -9.963 -0.000 -10.144) 14.219 31.245 ( 2.173 -0.000 6.355) 6.716 31.304 ( 1.899 0.000 -4.522) 4.904 32.669 ( 14.998 -0.000 7.242) 16.655 32.748 ( 14.388 0.000 -7.471) 16.212 ======================= Grid point 1067 (329/343) ======================= q-point: ( 0.46 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -2.705 5.819 -0.000) 6.417 1.581 ( -0.467 3.662 -0.000) 3.692 1.761 ( -2.929 0.779 -0.000) 3.031 1.793 ( -0.571 -2.630 0.000) 2.692 2.230 ( -18.551 7.478 -0.000) 20.001 2.368 ( -15.076 -11.482 0.000) 18.951 2.618 ( 0.193 0.151 -0.000) 0.245 2.637 ( -0.586 -2.224 0.000) 2.300 3.059 ( 0.029 1.701 -0.000) 1.702 3.087 ( 0.809 -2.273 0.000) 2.413 3.379 ( -0.991 13.376 -0.000) 13.413 3.584 ( 0.757 -15.171 0.000) 15.190 3.966 ( 4.212 4.015 -0.000) 5.819 4.006 ( 2.367 -1.280 0.000) 2.691 4.704 ( 2.281 7.783 -0.000) 8.110 4.820 ( 7.445 -8.159 0.000) 11.045 6.682 ( 18.151 28.510 -0.000) 33.798 6.776 ( 15.681 18.534 -0.000) 24.277 8.485 ( -7.778 8.842 -0.000) 11.776 8.513 ( -12.032 7.122 -0.000) 13.982 8.872 ( 16.597 -0.872 0.000) 16.620 9.019 ( 15.059 -19.792 0.000) 24.870 10.699 ( 0.759 -2.155 0.000) 2.285 10.713 ( 3.256 -2.326 0.000) 4.002 10.840 ( -14.666 -14.029 0.000) 20.295 10.869 ( -14.744 -15.418 0.000) 21.333 16.460 ( 8.428 1.272 -0.000) 8.523 16.467 ( 8.118 0.207 -0.000) 8.121 17.216 ( -5.636 3.611 -0.000) 6.693 17.264 ( -8.519 -2.963 0.000) 9.020 17.629 ( -1.499 3.484 -0.000) 3.793 17.689 ( -4.747 -4.826 0.000) 6.770 19.349 ( 2.095 3.143 -0.000) 3.777 19.369 ( 2.317 0.344 -0.000) 2.342 28.158 ( 0.542 3.442 -0.000) 3.484 28.203 ( 1.285 -2.864 0.000) 3.139 29.943 ( -7.605 0.928 -0.000) 7.662 29.971 ( -8.568 -3.058 0.000) 9.098 31.258 ( 1.430 7.759 -0.000) 7.890 31.360 ( 1.850 -6.553 0.000) 6.809 32.880 ( 12.510 12.493 -0.000) 17.680 33.036 ( 14.785 -9.281 0.000) 17.456 ======================= Grid point 1081 (330/343) ======================= q-point: ( 0.46 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 14.575 -0.000) 14.575 1.537 ( -0.000 -3.083 0.000) 3.083 1.629 ( -0.000 -2.063 0.000) 2.063 1.681 ( -0.000 -4.156 0.000) 4.156 1.913 ( 0.000 12.889 -0.000) 12.889 2.111 ( -0.000 -14.582 0.000) 14.582 2.635 ( -0.000 -0.833 0.000) 0.833 2.645 ( -0.000 -2.196 0.000) 2.196 3.057 ( 0.000 2.853 -0.000) 2.853 3.102 ( -0.000 -3.325 0.000) 3.325 3.364 ( 0.000 14.183 -0.000) 14.183 3.590 ( -0.000 -17.237 0.000) 17.237 4.030 ( 0.000 2.490 -0.000) 2.490 4.055 ( -0.000 -0.916 0.000) 0.916 4.771 ( 0.000 13.928 -0.000) 13.928 4.959 ( -0.000 -12.109 0.000) 12.109 7.106 ( 0.000 30.308 -0.000) 30.308 7.116 ( 0.000 28.173 -0.000) 28.173 8.150 ( 0.000 14.949 -0.000) 14.949 8.248 ( 0.000 2.667 -0.000) 2.667 9.365 ( -0.000 -3.436 0.000) 3.436 9.442 ( -0.000 -12.941 0.000) 12.941 10.337 ( -0.000 -19.592 0.000) 19.592 10.408 ( -0.000 -28.731 0.000) 28.731 10.852 ( 0.000 0.033 -0.000) 0.033 10.858 ( -0.000 -0.693 0.000) 0.693 16.717 ( 0.000 2.562 -0.000) 2.562 16.720 ( 0.000 2.288 -0.000) 2.288 16.981 ( -0.000 -1.263 0.000) 1.263 16.990 ( -0.000 -2.446 0.000) 2.446 17.605 ( 0.000 0.403 -0.000) 0.403 17.614 ( -0.000 -0.728 0.000) 0.728 19.384 ( 0.000 3.481 -0.000) 3.481 19.408 ( 0.000 0.105 -0.000) 0.105 28.170 ( 0.000 4.441 -0.000) 4.441 28.229 ( -0.000 -3.829 0.000) 3.829 29.796 ( -0.000 -0.408 0.000) 0.408 29.803 ( -0.000 -1.351 0.000) 1.351 31.284 ( 0.000 8.402 -0.000) 8.402 31.395 ( -0.000 -7.169 0.000) 7.169 33.133 ( 0.000 15.943 -0.000) 15.943 33.346 ( -0.000 -13.945 0.000) 13.945 ======================= Grid point 1082 (331/343) ======================= q-point: ( 0.54 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -5.556 -0.000 0.054) 5.557 1.545 ( -4.315 -0.000 0.114) 4.317 1.686 ( -5.005 -0.000 -0.862) 5.079 1.707 ( -5.182 0.000 3.127) 6.053 2.032 ( -4.583 -0.000 -4.408) 6.359 2.112 ( -9.784 0.000 10.477) 14.335 2.626 ( 0.752 -0.000 -0.522) 0.915 2.632 ( 0.373 0.000 0.496) 0.621 3.073 ( 0.379 -0.000 -0.719) 0.813 3.082 ( -0.070 0.000 1.042) 1.044 3.459 ( 0.465 -0.000 -3.416) 3.448 3.484 ( -0.899 0.000 1.356) 1.627 4.029 ( 1.557 -0.000 -0.930) 1.814 4.029 ( 1.522 -0.000 -0.896) 1.766 4.809 ( 4.789 -0.000 -5.813) 7.531 4.868 ( 1.612 0.000 5.397) 5.633 7.090 ( 12.841 -0.000 -0.739) 12.862 7.098 ( 12.655 0.000 0.760) 12.678 8.332 ( -10.298 -0.000 -0.438) 10.307 8.337 ( -10.296 0.000 0.607) 10.314 9.198 ( 16.011 -0.000 -2.185) 16.159 9.218 ( 15.782 0.000 1.718) 15.875 10.430 ( -14.904 -0.000 -1.830) 15.016 10.453 ( -15.291 0.000 2.387) 15.476 10.824 ( 3.213 -0.000 -0.213) 3.220 10.825 ( 3.055 0.000 0.092) 3.056 16.612 ( 8.818 -0.000 -1.754) 8.991 16.628 ( 8.712 0.000 1.223) 8.798 17.084 ( -9.190 -0.000 -1.385) 9.294 17.099 ( -9.115 0.000 1.438) 9.228 17.617 ( -1.059 -0.000 -0.532) 1.185 17.620 ( -1.278 -0.000 0.035) 1.279 19.389 ( 1.273 -0.000 -0.500) 1.368 19.400 ( 0.778 0.000 1.428) 1.627 28.190 ( 0.882 -0.000 -1.124) 1.428 28.201 ( 0.222 0.000 0.981) 1.006 29.818 ( -3.447 -0.000 -3.558) 4.954 29.863 ( -5.804 0.000 5.042) 7.688 31.314 ( 1.472 -0.000 -5.152) 5.358 31.340 ( 0.091 -0.000 -0.341) 0.353 33.152 ( 9.382 -0.000 -1.659) 9.527 33.185 ( 7.632 0.000 4.385) 8.802 ======================= Grid point 1096 (332/343) ======================= q-point: ( 0.54 0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 14.290 3.459) 14.703 1.540 ( -0.000 -1.402 0.432) 1.467 1.656 ( 0.000 -4.180 5.055) 6.559 1.688 ( 0.000 -3.715 1.400) 3.970 1.938 ( 0.000 13.796 4.770) 14.598 2.148 ( 0.000 -15.432 6.881) 16.897 2.635 ( -0.000 -0.805 -0.037) 0.806 2.646 ( -0.000 -2.220 0.036) 2.220 3.059 ( -0.000 2.787 0.313) 2.804 3.102 ( -0.000 -3.256 0.126) 3.258 3.352 ( 0.000 14.298 -2.237) 14.472 3.581 ( 0.000 -17.397 -1.874) 17.498 4.021 ( -0.000 2.433 -1.774) 3.011 4.045 ( -0.000 -0.997 -1.792) 2.051 4.769 ( 0.000 13.729 -0.398) 13.735 4.953 ( 0.000 -11.769 -1.178) 11.828 7.107 ( -0.000 30.160 0.096) 30.160 7.116 ( -0.000 28.136 -0.016) 28.136 8.152 ( 0.000 14.806 0.252) 14.808 8.247 ( 0.000 2.903 -0.298) 2.918 9.363 ( 0.000 -3.711 -0.296) 3.723 9.438 ( 0.000 -12.933 -0.733) 12.954 10.343 ( -0.000 -19.613 1.057) 19.641 10.411 ( 0.000 -28.482 0.637) 28.489 10.852 ( -0.000 0.040 -0.096) 0.104 10.857 ( -0.000 -0.665 -0.131) 0.678 16.713 ( 0.000 2.479 -0.853) 2.622 16.715 ( 0.000 2.299 -0.987) 2.502 16.983 ( -0.000 -1.220 0.294) 1.255 16.992 ( -0.000 -2.372 0.241) 2.384 17.603 ( 0.000 0.424 -0.417) 0.595 17.612 ( 0.000 -0.700 -0.442) 0.828 19.390 ( 0.000 3.295 1.187) 3.502 19.412 ( 0.000 0.178 0.860) 0.878 28.170 ( 0.000 4.315 -0.048) 4.316 28.227 ( 0.000 -3.702 -0.388) 3.722 29.805 ( -0.000 -0.529 1.730) 1.809 29.811 ( -0.000 -1.271 1.471) 1.944 31.254 ( -0.000 8.147 -5.549) 9.858 31.361 ( -0.000 -6.904 -6.230) 9.299 33.153 ( 0.000 15.361 3.755) 15.813 33.356 ( 0.000 -13.134 1.945) 13.277 ======================= Grid point 1097 (333/343) ======================= q-point: ( 0.62 0.08 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -3.781 0.000 0.354) 3.798 1.547 ( -3.615 0.000 0.341) 3.631 1.690 ( -4.265 0.000 1.884) 4.663 1.751 ( -4.849 0.000 5.346) 7.218 2.018 ( 0.634 0.000 1.483) 1.613 2.246 ( -13.312 0.000 14.612) 19.767 2.621 ( 1.133 -0.000 -0.489) 1.234 2.636 ( 0.034 0.000 0.354) 0.356 3.067 ( 0.720 -0.000 -0.471) 0.861 3.095 ( -0.630 0.000 1.387) 1.524 3.411 ( 1.833 -0.000 -5.663) 5.953 3.488 ( -2.338 -0.000 -0.509) 2.393 4.010 ( 1.471 -0.000 -2.678) 3.056 4.010 ( 1.527 -0.000 -2.532) 2.957 4.747 ( 7.442 -0.000 -5.699) 9.373 4.921 ( -1.824 0.000 4.633) 4.979 7.082 ( 12.970 -0.000 -0.689) 12.988 7.106 ( 12.417 0.000 0.748) 12.440 8.328 ( -10.458 -0.000 -0.290) 10.462 8.344 ( -10.487 0.000 0.756) 10.514 9.173 ( 16.245 -0.000 -2.475) 16.433 9.234 ( 15.516 0.000 1.182) 15.561 10.414 ( -14.223 -0.000 -1.199) 14.274 10.480 ( -15.410 0.000 2.751) 15.654 10.821 ( 3.374 -0.000 -0.292) 3.387 10.826 ( 2.933 0.000 -0.056) 2.934 16.592 ( 8.776 -0.000 -2.030) 9.008 16.637 ( 8.433 0.000 0.592) 8.454 17.070 ( -9.274 -0.000 -1.251) 9.358 17.114 ( -9.151 0.000 1.421) 9.260 17.609 ( -0.786 -0.000 -0.854) 1.160 17.617 ( -1.361 -0.000 -0.536) 1.463 19.389 ( 1.840 0.000 0.413) 1.886 19.419 ( 0.415 0.000 2.107) 2.147 28.178 ( 1.436 -0.000 -1.188) 1.864 28.210 ( -0.508 0.000 0.795) 0.943 29.788 ( -0.967 -0.000 -2.131) 2.340 29.924 ( -8.036 0.000 6.506) 10.339 31.237 ( 1.975 -0.000 -9.072) 9.285 31.306 ( -1.698 -0.000 -6.071) 6.304 33.150 ( 11.341 0.000 1.204) 11.405 33.241 ( 6.415 0.000 6.060) 8.825 ======================= Grid point 1111 (334/343) ======================= q-point: ( 0.62 0.15 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 12.903 5.072) 13.864 1.544 ( -0.000 0.710 0.328) 0.783 1.713 ( 0.000 -1.976 3.543) 4.057 1.731 ( 0.000 -7.215 8.959) 11.504 2.012 ( 0.000 15.980 9.017) 18.349 2.250 ( 0.000 -17.549 12.075) 21.302 2.634 ( 0.000 -0.731 -0.186) 0.754 2.646 ( 0.000 -2.303 -0.034) 2.303 3.064 ( 0.000 2.586 0.596) 2.653 3.104 ( 0.000 -3.043 0.215) 3.051 3.317 ( 0.000 14.599 -4.453) 15.263 3.551 ( 0.000 -17.850 -3.843) 18.259 3.994 ( 0.000 2.241 -3.212) 3.917 4.018 ( 0.000 -1.135 -3.374) 3.559 4.764 ( 0.000 13.044 -0.485) 13.053 4.935 ( 0.000 -10.738 -2.148) 10.951 7.108 ( -0.000 29.755 0.162) 29.756 7.116 ( 0.000 28.034 -0.025) 28.034 8.155 ( 0.000 14.385 0.487) 14.393 8.242 ( 0.000 3.584 -0.575) 3.630 9.359 ( 0.000 -4.485 -0.466) 4.509 9.427 ( -0.000 -12.876 -1.304) 12.942 10.358 ( 0.000 -19.706 1.880) 19.795 10.421 ( 0.000 -27.786 1.085) 27.808 10.850 ( 0.000 0.060 -0.178) 0.188 10.855 ( 0.000 -0.584 -0.242) 0.632 16.700 ( -0.000 2.287 -1.422) 2.693 16.701 ( 0.000 2.325 -1.604) 2.825 16.987 ( -0.000 -1.121 0.461) 1.213 16.995 ( -0.000 -2.184 0.371) 2.215 17.597 ( -0.000 0.468 -0.741) 0.876 17.605 ( -0.000 -0.619 -0.804) 1.015 19.407 ( -0.000 2.813 2.017) 3.462 19.425 ( -0.000 0.366 1.494) 1.538 28.169 ( 0.000 3.949 -0.057) 3.950 28.221 ( 0.000 -3.331 -0.709) 3.406 29.832 ( 0.000 -0.863 3.300) 3.411 29.833 ( 0.000 -1.051 2.843) 3.031 31.172 ( -0.000 7.478 -9.701) 12.248 31.270 ( -0.000 -6.246 -10.798) 12.475 33.207 ( -0.000 13.832 6.216) 15.164 33.384 ( 0.000 -10.958 3.165) 11.406 ======================= Grid point 1112 (335/343) ======================= q-point: ( 0.69 0.15 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -1.309 0.000 0.356) 1.356 1.553 ( -2.801 0.000 0.636) 2.872 1.728 ( -2.571 0.000 5.347) 5.933 1.819 ( -4.052 0.000 7.364) 8.405 2.056 ( 5.121 0.000 5.344) 7.401 2.409 ( -14.413 0.000 15.880) 21.446 2.616 ( 1.386 -0.000 -0.365) 1.433 2.639 ( -0.531 0.000 0.392) 0.659 3.063 ( 0.971 -0.000 -0.321) 1.022 3.111 ( -1.269 0.000 1.660) 2.089 3.339 ( 3.170 -0.000 -7.937) 8.547 3.473 ( -3.977 -0.000 -2.248) 4.568 3.974 ( 1.475 -0.000 -4.073) 4.331 3.977 ( 1.419 -0.000 -3.652) 3.918 4.691 ( 9.415 -0.000 -5.004) 10.662 4.965 ( -5.199 0.000 3.710) 6.387 7.075 ( 13.046 -0.000 -0.610) 13.060 7.113 ( 12.148 0.000 0.693) 12.168 8.325 ( -10.719 -0.000 -0.182) 10.720 8.353 ( -10.862 0.000 0.834) 10.894 9.147 ( 16.532 -0.000 -2.505) 16.721 9.244 ( 15.203 0.000 0.689) 15.218 10.405 ( -13.320 -0.000 -0.624) 13.334 10.509 ( -15.358 0.000 2.838) 15.618 10.818 ( 3.515 -0.000 -0.325) 3.530 10.824 ( 2.883 -0.000 -0.207) 2.890 16.570 ( 8.645 -0.000 -1.993) 8.871 16.640 ( 8.009 0.000 0.053) 8.009 17.058 ( -9.281 -0.000 -1.048) 9.340 17.129 ( -9.357 0.000 1.348) 9.454 17.599 ( -0.547 -0.000 -0.970) 1.114 17.609 ( -1.263 -0.000 -1.033) 1.631 19.397 ( 2.402 0.000 1.063) 2.626 19.442 ( 0.203 0.000 2.365) 2.374 28.165 ( 1.875 -0.000 -1.149) 2.199 28.218 ( -1.255 0.000 0.596) 1.390 29.772 ( 1.587 -0.000 -0.866) 1.809 29.999 ( -10.190 0.000 7.869) 12.875 31.130 ( 1.533 -0.000 -10.833) 10.941 31.216 ( -3.243 -0.000 -10.582) 11.068 33.175 ( 13.081 0.000 3.171) 13.460 33.308 ( 5.756 0.000 6.425) 8.626 ======================= Grid point 1126 (336/343) ======================= q-point: ( 0.69 0.23 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 9.665 4.150) 10.518 1.547 ( 0.000 1.664 0.227) 1.680 1.767 ( 0.000 1.536 6.645) 6.820 1.836 ( 0.000 -8.373 10.396) 13.349 2.124 ( 0.000 17.841 12.099) 21.557 2.391 ( 0.000 -19.747 14.074) 24.249 2.631 ( 0.000 -0.601 -0.317) 0.680 2.646 ( 0.000 -2.648 0.234) 2.659 3.071 ( 0.000 2.251 0.802) 2.389 3.107 ( 0.000 -2.678 0.224) 2.687 3.259 ( 0.000 14.898 -6.491) 16.251 3.499 ( 0.000 -18.480 -5.980) 19.423 3.955 ( 0.000 1.892 -3.984) 4.410 3.976 ( 0.000 -1.109 -4.397) 4.535 4.760 ( 0.000 11.681 -0.135) 11.681 4.909 ( 0.000 -9.004 -2.783) 9.424 7.110 ( 0.000 29.198 0.181) 29.198 7.116 ( 0.000 27.889 -0.024) 27.889 8.162 ( 0.000 13.703 0.694) 13.721 8.235 ( 0.000 4.637 -0.811) 4.707 9.354 ( 0.000 -5.623 -0.437) 5.640 9.411 ( 0.000 -12.694 -1.618) 12.797 10.381 ( -0.000 -19.943 2.313) 20.077 10.433 ( -0.000 -26.773 1.214) 26.800 10.848 ( 0.000 0.095 -0.227) 0.246 10.852 ( 0.000 -0.458 -0.313) 0.555 16.683 ( -0.000 2.344 -1.723) 2.909 16.684 ( 0.000 2.093 -1.590) 2.628 16.992 ( -0.000 -1.027 0.492) 1.139 16.999 ( -0.000 -1.948 0.371) 1.983 17.588 ( 0.000 0.493 -0.896) 1.023 17.595 ( 0.000 -0.494 -1.012) 1.126 19.431 ( -0.000 2.218 2.295) 3.192 19.442 ( -0.000 0.595 1.755) 1.853 28.169 ( -0.000 3.371 -0.001) 3.371 28.212 ( -0.000 -2.747 -0.915) 2.895 29.870 ( 0.000 -0.752 3.968) 4.039 29.873 ( -0.000 -1.323 4.486) 4.677 31.058 ( -0.000 6.539 -11.619) 13.332 31.142 ( -0.000 -5.390 -12.981) 14.056 33.278 ( 0.000 11.760 7.002) 13.686 33.419 ( -0.000 -7.985 3.346) 8.658 ======================= Grid point 1127 (337/343) ======================= q-point: ( 0.77 0.23 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -0.648 0.000 0.322) 0.723 1.559 ( -1.358 0.000 0.456) 1.433 1.801 ( 0.047 0.000 8.285) 8.285 1.903 ( -2.983 0.000 8.511) 9.019 2.121 ( 9.379 0.000 6.623) 11.482 2.556 ( -9.448 0.000 9.337) 13.283 2.615 ( 1.396 0.000 0.221) 1.413 2.660 ( -5.467 0.000 6.016) 8.129 3.060 ( 1.137 -0.000 -0.275) 1.170 3.129 ( -1.835 0.000 1.673) 2.483 3.245 ( 4.199 -0.000 -9.789) 10.652 3.441 ( -5.921 -0.000 -3.928) 7.106 3.927 ( 1.597 -0.000 -4.661) 4.927 3.936 ( 1.263 -0.000 -4.022) 4.215 4.644 ( 10.701 -0.000 -3.876) 11.381 4.999 ( -8.191 0.000 2.750) 8.640 7.070 ( 13.083 0.000 -0.499) 13.093 7.120 ( 11.878 0.000 0.587) 11.892 8.324 ( -11.009 -0.000 -0.113) 11.010 8.361 ( -11.358 0.000 0.799) 11.386 9.121 ( 16.879 -0.000 -2.239) 17.027 9.249 ( 14.875 0.000 0.317) 14.878 10.401 ( -12.340 -0.000 -0.203) 12.342 10.538 ( -15.259 0.000 2.599) 15.479 10.814 ( 3.622 -0.000 -0.307) 3.635 10.821 ( 2.931 -0.000 -0.322) 2.949 16.551 ( 8.483 -0.000 -1.684) 8.648 16.639 ( 7.528 0.000 -0.265) 7.532 17.048 ( -9.194 -0.000 -0.802) 9.229 17.142 ( -9.726 0.000 1.206) 9.800 17.589 ( -0.397 -0.000 -0.902) 0.986 17.596 ( -0.994 -0.000 -1.295) 1.633 19.410 ( 2.886 0.000 1.307) 3.168 19.467 ( 0.121 0.000 2.178) 2.182 28.154 ( 2.200 -0.000 -0.996) 2.415 28.223 ( -1.947 0.000 0.410) 1.990 29.768 ( 4.103 0.000 0.091) 4.104 30.088 ( -12.388 0.000 8.956) 15.287 31.016 ( 0.385 -0.000 -10.456) 10.463 31.090 ( -4.020 -0.000 -13.028) 13.634 33.212 ( 14.367 0.000 3.789) 14.859 33.372 ( 5.490 0.000 5.691) 7.907 ======================= Grid point 1142 (338/343) ======================= q-point: ( 0.77 0.31 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 6.008 2.287) 6.428 1.549 ( -0.000 1.988 0.163) 1.995 1.851 ( 0.000 5.109 8.950) 10.305 1.941 ( -0.000 -6.838 9.303) 11.546 2.259 ( 0.000 17.281 13.106) 21.689 2.521 ( 0.000 -17.385 8.358) 19.290 2.630 ( 0.000 -0.127 0.326) 0.349 2.665 ( -0.000 -6.573 4.980) 8.247 3.080 ( -0.000 1.860 0.825) 2.035 3.108 ( -0.000 -2.154 0.112) 2.157 3.183 ( 0.000 14.448 -7.622) 16.335 3.424 ( 0.000 -18.986 -8.259) 20.705 3.913 ( 0.000 1.414 -3.838) 4.091 3.929 ( 0.000 -0.811 -4.442) 4.516 4.762 ( -0.000 9.523 0.549) 9.539 4.878 ( -0.000 -6.592 -3.052) 7.264 7.112 ( 0.000 28.616 0.158) 28.616 7.115 ( 0.000 27.739 -0.018) 27.739 8.170 ( 0.000 12.783 0.867) 12.813 8.225 ( 0.000 5.955 -0.986) 6.036 9.350 ( 0.000 -6.962 -0.205) 6.965 9.394 ( 0.000 -12.310 -1.657) 12.421 10.406 ( -0.000 -20.396 2.306) 20.526 10.445 ( -0.000 -25.586 0.977) 25.605 10.846 ( 0.000 0.134 -0.222) 0.260 10.849 ( 0.000 -0.300 -0.326) 0.443 16.666 ( 0.000 2.324 -1.434) 2.731 16.668 ( -0.000 1.976 -1.401) 2.422 16.997 ( -0.000 -0.984 0.438) 1.077 17.002 ( -0.000 -1.707 0.282) 1.730 17.579 ( 0.000 0.465 -0.837) 0.957 17.585 ( 0.000 -0.333 -1.010) 1.063 19.454 ( 0.000 1.686 2.032) 2.640 19.460 ( 0.000 0.792 1.608) 1.792 28.169 ( 0.000 2.623 0.129) 2.626 28.202 ( 0.000 -1.991 -0.984) 2.221 29.915 ( 0.000 -0.494 4.564) 4.591 29.923 ( 0.000 -1.746 4.907) 5.209 30.937 ( 0.000 5.340 -10.985) 12.214 31.005 ( 0.000 -4.330 -12.735) 13.451 33.350 ( 0.000 9.423 6.417) 11.401 33.451 ( 0.000 -4.737 2.566) 5.388 ======================= Grid point 1143 (339/343) ======================= q-point: ( 0.85 0.31 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.358 0.000 0.218) 0.419 1.563 ( -0.727 0.000 0.239) 0.766 1.895 ( 2.259 0.000 9.003) 9.282 1.992 ( -1.921 0.000 7.997) 8.224 2.186 ( 13.573 0.000 5.102) 14.500 2.585 ( -1.552 -0.000 -0.773) 1.734 2.625 ( 1.368 0.000 1.906) 2.346 2.781 ( -12.274 0.000 13.699) 18.393 3.057 ( 1.213 -0.000 -0.386) 1.273 3.128 ( 4.306 -0.000 -7.819) 8.926 3.154 ( -1.940 -0.000 -1.325) 2.350 3.391 ( -8.178 -0.000 -5.349) 9.772 3.880 ( 1.840 -0.000 -4.095) 4.490 3.896 ( 1.120 -0.000 -3.462) 3.638 4.610 ( 11.426 -0.000 -2.566) 11.710 5.023 ( -10.524 0.000 1.807) 10.678 7.065 ( 13.096 0.000 -0.357) 13.101 7.126 ( 11.645 0.000 0.429) 11.653 8.323 ( -11.266 -0.000 -0.068) 11.266 8.369 ( -11.865 0.000 0.632) 11.881 9.101 ( 17.239 -0.000 -1.686) 17.321 9.251 ( 14.587 0.000 0.098) 14.588 10.400 ( -11.466 -0.000 0.019) 11.466 10.563 ( -15.214 0.000 2.016) 15.347 10.811 ( 3.691 -0.000 -0.240) 3.699 10.818 ( 3.075 -0.000 -0.345) 3.094 16.535 ( 8.337 -0.000 -1.194) 8.422 16.636 ( 7.097 -0.000 -0.335) 7.105 17.041 ( -9.054 -0.000 -0.537) 9.070 17.154 ( -10.174 0.000 0.949) 10.218 17.581 ( -0.338 -0.000 -0.688) 0.767 17.583 ( -0.630 -0.000 -1.203) 1.358 19.423 ( 3.247 0.000 1.139) 3.441 19.487 ( 0.121 0.000 1.635) 1.640 28.145 ( 2.421 -0.000 -0.735) 2.530 28.226 ( -2.508 0.000 0.250) 2.521 29.772 ( 6.364 0.000 0.576) 6.390 30.185 ( -14.868 0.000 9.267) 17.520 30.917 ( -1.060 -0.000 -8.222) 8.290 30.951 ( -3.650 -0.000 -13.000) 13.502 33.250 ( 15.193 0.000 3.203) 15.527 33.425 ( 5.433 0.000 4.186) 6.858 ======================= Grid point 1158 (340/343) ======================= q-point: ( 0.85 0.38 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 3.713 1.032) 3.854 1.550 ( 0.000 2.091 0.082) 2.093 1.946 ( 0.000 6.652 8.688) 10.942 2.023 ( -0.000 -2.771 5.702) 6.339 2.388 ( 0.000 11.867 10.622) 15.927 2.549 ( 0.000 -8.493 -1.188) 8.576 2.647 ( 0.000 2.252 3.567) 4.218 2.752 ( 0.000 -12.231 8.461) 14.872 3.085 ( -0.000 2.975 -0.328) 2.993 3.108 ( -0.000 -1.488 -0.130) 1.494 3.114 ( -0.000 8.288 -3.862) 9.144 3.326 ( -0.000 -18.699 -10.340) 21.368 3.878 ( 0.000 0.906 -2.721) 2.868 3.887 ( 0.000 -0.366 -3.334) 3.354 4.772 ( -0.000 6.647 1.353) 6.783 4.846 ( 0.000 -3.603 -2.992) 4.683 7.113 ( -0.000 28.123 0.111) 28.123 7.115 ( 0.000 27.634 -0.017) 27.634 8.180 ( 0.000 11.654 1.000) 11.697 8.214 ( -0.000 7.419 -1.091) 7.498 9.350 ( -0.000 -8.346 0.180) 8.348 9.377 ( -0.000 -11.675 -1.460) 11.766 10.428 ( 0.000 -21.097 1.901) 21.182 10.453 ( 0.000 -24.346 0.411) 24.350 10.844 ( 0.000 0.153 -0.148) 0.213 10.846 ( 0.000 -0.131 -0.267) 0.297 16.654 ( 0.000 2.251 -0.898) 2.424 16.655 ( 0.000 1.961 -0.965) 2.185 17.001 ( -0.000 -1.013 0.333) 1.066 17.005 ( -0.000 -1.478 0.142) 1.485 17.571 ( -0.000 0.370 -0.561) 0.672 17.575 ( -0.000 -0.150 -0.780) 0.795 19.472 ( -0.000 1.316 1.376) 1.904 19.475 ( -0.000 0.922 1.107) 1.441 28.172 ( 0.000 1.752 0.321) 1.782 28.192 ( -0.000 -1.112 -0.923) 1.446 29.962 ( -0.000 -0.466 4.121) 4.147 29.972 ( -0.000 -1.881 3.966) 4.389 30.836 ( -0.000 3.725 -7.647) 8.506 30.883 ( -0.000 -2.881 -10.065) 10.469 33.410 ( -0.000 6.933 4.934) 8.509 33.471 ( -0.000 -1.535 1.069) 1.871 ======================= Grid point 1159 (341/343) ======================= q-point: ( 0.92 0.38 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -0.248 0.000 0.105) 0.269 1.564 ( -0.489 0.000 0.096) 0.498 1.979 ( 3.043 0.000 6.415) 7.100 2.063 ( -1.115 0.000 5.127) 5.246 2.222 ( 16.877 0.000 1.806) 16.974 2.571 ( -0.802 -0.000 -1.455) 1.662 2.655 ( 2.067 0.000 3.552) 4.109 2.914 ( -11.509 0.000 10.648) 15.679 3.028 ( 5.183 -0.000 -8.488) 9.946 3.050 ( 1.317 -0.000 -0.949) 1.623 3.162 ( -3.427 0.000 0.855) 3.533 3.334 ( -10.512 -0.000 -5.112) 11.689 3.845 ( 2.094 -0.000 -2.384) 3.173 3.866 ( 1.033 -0.000 -2.011) 2.261 4.590 ( 11.767 -0.000 -1.259) 11.834 5.037 ( -12.000 0.000 0.894) 12.034 7.062 ( 13.098 0.000 -0.186) 13.099 7.129 ( 11.487 0.000 0.227) 11.489 8.322 ( -11.440 -0.000 -0.033) 11.440 8.374 ( -12.247 -0.000 0.350) 12.252 9.087 ( 17.518 -0.000 -0.906) 17.542 9.251 ( 14.392 0.000 0.011) 14.392 10.400 ( -10.865 -0.000 0.062) 10.865 10.580 ( -15.240 0.000 1.113) 15.280 10.809 ( 3.728 0.000 -0.132) 3.730 10.815 ( 3.250 -0.000 -0.230) 3.258 16.526 ( 8.240 -0.000 -0.614) 8.262 16.633 ( 6.806 0.000 -0.216) 6.809 17.037 ( -8.933 -0.000 -0.268) 8.937 17.162 ( -10.555 0.000 0.536) 10.569 17.572 ( -0.306 -0.000 -0.730) 0.792 17.575 ( -0.333 -0.000 -0.371) 0.499 19.433 ( 3.466 0.000 0.653) 3.527 19.500 ( 0.149 0.000 0.869) 0.881 28.139 ( 2.548 -0.000 -0.390) 2.578 28.228 ( -2.874 -0.000 0.117) 2.876 29.779 ( 8.010 0.000 0.497) 8.025 30.275 ( -17.878 0.000 7.209) 19.276 30.829 ( -1.887 -0.000 -9.385) 9.573 30.848 ( -2.284 -0.000 -4.534) 5.077 33.277 ( 15.640 0.000 1.801) 15.743 33.459 ( 5.449 0.000 2.206) 5.879 ======================= Grid point 1161 (342/343) ======================= q-point: ( 0.00 -0.54 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 343 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -0.220 -0.000 0.000) 0.220 1.565 ( -0.427 -0.000 0.000) 0.427 2.016 ( 2.872 0.000 -0.000) 2.872 2.092 ( -0.800 -0.000 0.000) 0.800 2.230 ( 18.255 0.000 -0.000) 18.255 2.562 ( -0.738 -0.000 0.000) 0.738 2.680 ( 2.898 0.000 -0.000) 2.898 2.977 ( 4.736 0.000 -0.000) 4.736 2.981 ( -11.892 -0.000 0.000) 11.892 3.039 ( 2.650 0.000 -0.000) 2.650 3.167 ( -3.584 -0.000 0.000) 3.584 3.302 ( -11.801 -0.000 0.000) 11.801 3.832 ( 2.200 0.000 -0.000) 2.200 3.856 ( 1.007 0.000 -0.000) 1.007 4.583 ( 11.864 0.000 -0.000) 11.864 5.042 ( -12.505 -0.000 0.000) 12.505 7.061 ( 13.097 0.000 -0.000) 13.097 7.130 ( 11.431 0.000 -0.000) 11.431 8.322 ( -11.502 -0.000 0.000) 11.502 8.376 ( -12.390 -0.000 0.000) 12.390 9.082 ( 17.625 0.000 -0.000) 17.625 9.251 ( 14.323 0.000 -0.000) 14.323 10.401 ( -10.652 -0.000 0.000) 10.652 10.586 ( -15.266 -0.000 0.000) 15.266 10.809 ( 3.739 0.000 -0.000) 3.739 10.813 ( 3.332 0.000 -0.000) 3.332 16.523 ( 8.206 0.000 -0.000) 8.206 16.632 ( 6.704 0.000 -0.000) 6.704 17.035 ( -8.885 -0.000 0.000) 8.885 17.164 ( -10.707 -0.000 0.000) 10.707 17.568 ( -0.174 -0.000 0.000) 0.174 17.573 ( -0.338 -0.000 0.000) 0.338 19.436 ( 3.538 0.000 -0.000) 3.538 19.505 ( 0.163 0.000 -0.000) 0.163 28.136 ( 2.590 0.000 -0.000) 2.590 28.229 ( -3.001 -0.000 0.000) 3.001 29.781 ( 8.626 0.000 -0.000) 8.626 30.318 ( -19.903 -0.000 0.000) 19.903 30.774 ( -0.271 -0.000 0.000) 0.271 30.824 ( -2.771 -0.000 0.000) 2.771 33.287 ( 15.780 0.000 -0.000) 15.780 33.470 ( 5.463 0.000 -0.000) 5.463 ======================= Grid point 1176 (343/343) ======================= q-point: ( 0.92 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.000 2.641 0.389) 2.669 1.551 ( 0.000 2.225 -0.073) 2.226 2.023 ( 0.000 5.756 5.534) 7.985 2.054 ( 0.000 2.266 0.003) 2.266 2.473 ( 0.000 1.840 5.843) 6.126 2.522 ( 0.000 -4.563 -3.643) 5.839 2.711 ( 0.000 6.114 7.944) 10.025 2.783 ( 0.000 0.179 -3.519) 3.524 3.094 ( -0.000 -1.711 2.397) 2.946 3.105 ( 0.000 -0.802 -0.512) 0.951 3.117 ( -0.000 -4.025 4.550) 6.075 3.211 ( 0.000 -15.979 -11.012) 19.406 3.859 ( 0.000 0.456 -0.839) 0.955 3.862 ( 0.000 0.058 -1.375) 1.376 4.791 ( -0.000 3.295 2.091) 3.903 4.816 ( 0.000 -0.222 -2.656) 2.666 7.114 ( 0.000 27.790 0.063) 27.790 7.115 ( -0.000 27.635 -0.030) 27.635 8.191 ( 0.000 10.348 1.088) 10.405 8.202 ( 0.000 8.914 -1.122) 8.984 9.355 ( 0.000 -9.650 0.642) 9.671 9.364 ( -0.000 -10.779 -1.096) 10.835 10.445 ( 0.000 -22.030 1.202) 22.062 10.453 ( 0.000 -23.137 -0.370) 23.140 10.843 ( 0.000 0.120 -0.013) 0.121 10.843 ( 0.000 0.020 -0.143) 0.144 16.648 ( -0.000 2.141 -0.260) 2.157 16.648 ( 0.000 2.029 -0.385) 2.065 17.004 ( -0.000 -1.115 0.190) 1.131 17.005 ( 0.000 -1.276 -0.024) 1.276 17.567 ( 0.000 0.222 -0.122) 0.253 17.569 ( 0.000 0.041 -0.368) 0.371 19.482 ( 0.000 1.109 0.521) 1.226 19.483 ( 0.000 1.006 0.356) 1.067 28.176 ( 0.000 0.808 0.547) 0.975 28.183 ( 0.000 -0.163 -0.763) 0.780 29.996 ( 0.000 -0.855 2.045) 2.216 30.001 ( 0.000 -1.511 1.283) 1.982 30.785 ( -0.000 1.557 -1.794) 2.376 30.802 ( 0.000 -0.855 -4.920) 4.994 33.452 ( -0.000 4.297 2.970) 5.224 33.472 ( 0.000 1.484 -0.870) 1.720 =================== 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 3/92274 10.0 53.431 68.287 42.221 0.000 0.000 0.000 3/92274 20.0 12.387 28.630 8.486 -0.000 0.000 0.000 3/92274 30.0 6.251 17.741 4.301 -0.000 0.000 0.000 3/92274 40.0 4.306 13.598 2.948 -0.000 0.000 0.000 3/92274 50.0 3.432 11.578 2.311 -0.000 0.000 0.000 3/92274 60.0 2.953 10.422 1.932 -0.000 0.000 0.000 3/92274 70.0 2.652 9.666 1.671 -0.000 0.000 0.000 3/92274 80.0 2.442 9.107 1.476 -0.000 0.000 0.000 3/92274 90.0 2.283 8.652 1.322 -0.000 0.000 0.000 3/92274 100.0 2.153 8.253 1.198 -0.000 0.000 0.000 3/92274 110.0 2.042 7.891 1.095 -0.000 0.000 0.000 3/92274 120.0 1.944 7.553 1.008 -0.000 0.000 0.000 3/92274 130.0 1.856 7.237 0.934 -0.000 0.000 0.000 3/92274 140.0 1.775 6.938 0.870 -0.000 0.000 0.000 3/92274 150.0 1.700 6.657 0.814 -0.000 0.000 0.000 3/92274 160.0 1.631 6.393 0.766 -0.000 0.000 0.000 3/92274 170.0 1.567 6.143 0.722 -0.000 0.000 0.000 3/92274 180.0 1.508 5.909 0.684 -0.000 0.000 0.000 3/92274 190.0 1.452 5.689 0.650 -0.000 0.000 0.000 3/92274 200.0 1.400 5.482 0.619 -0.000 0.000 0.000 3/92274 210.0 1.352 5.288 0.591 -0.000 0.000 0.000 3/92274 220.0 1.307 5.105 0.566 -0.000 0.000 0.000 3/92274 230.0 1.264 4.933 0.543 -0.000 0.000 0.000 3/92274 240.0 1.224 4.771 0.522 -0.000 0.000 0.000 3/92274 250.0 1.187 4.619 0.503 -0.000 0.000 0.000 3/92274 260.0 1.152 4.476 0.486 -0.000 0.000 0.000 3/92274 270.0 1.119 4.340 0.469 -0.000 0.000 0.000 3/92274 280.0 1.088 4.213 0.454 -0.000 0.000 0.000 3/92274 290.0 1.058 4.092 0.440 -0.000 0.000 0.000 3/92274 300.0 1.031 3.978 0.427 -0.000 0.000 0.000 3/92274 310.0 1.004 3.869 0.415 -0.000 0.000 0.000 3/92274 320.0 0.979 3.767 0.404 -0.000 0.000 0.000 3/92274 330.0 0.956 3.669 0.393 -0.000 0.000 0.000 3/92274 340.0 0.933 3.576 0.383 -0.000 0.000 0.000 3/92274 350.0 0.911 3.488 0.373 -0.000 0.000 0.000 3/92274 360.0 0.891 3.404 0.364 -0.000 0.000 0.000 3/92274 370.0 0.871 3.323 0.356 -0.000 0.000 0.000 3/92274 380.0 0.853 3.247 0.348 -0.000 0.000 0.000 3/92274 390.0 0.835 3.174 0.340 -0.000 0.000 0.000 3/92274 400.0 0.818 3.104 0.333 -0.000 0.000 0.000 3/92274 410.0 0.801 3.036 0.326 -0.000 0.000 0.000 3/92274 420.0 0.785 2.972 0.319 -0.000 0.000 0.000 3/92274 430.0 0.770 2.910 0.313 -0.000 0.000 0.000 3/92274 440.0 0.755 2.851 0.307 -0.000 0.000 0.000 3/92274 450.0 0.741 2.794 0.301 -0.000 0.000 0.000 3/92274 460.0 0.728 2.740 0.295 -0.000 0.000 0.000 3/92274 470.0 0.715 2.687 0.290 -0.000 0.000 0.000 3/92274 480.0 0.702 2.636 0.284 -0.000 0.000 0.000 3/92274 490.0 0.690 2.588 0.279 -0.000 0.000 0.000 3/92274 500.0 0.678 2.540 0.274 -0.000 0.000 0.000 3/92274 510.0 0.667 2.495 0.270 -0.000 0.000 0.000 3/92274 520.0 0.656 2.451 0.265 -0.000 0.000 0.000 3/92274 530.0 0.645 2.409 0.261 -0.000 0.000 0.000 3/92274 540.0 0.635 2.368 0.257 -0.000 0.000 0.000 3/92274 550.0 0.625 2.328 0.253 -0.000 0.000 0.000 3/92274 560.0 0.615 2.290 0.249 -0.000 0.000 0.000 3/92274 570.0 0.606 2.253 0.245 -0.000 0.000 0.000 3/92274 580.0 0.597 2.217 0.241 -0.000 0.000 0.000 3/92274 590.0 0.588 2.182 0.238 -0.000 0.000 0.000 3/92274 600.0 0.579 2.148 0.234 -0.000 0.000 0.000 3/92274 610.0 0.571 2.115 0.231 -0.000 0.000 0.000 3/92274 620.0 0.563 2.084 0.227 -0.000 0.000 0.000 3/92274 630.0 0.555 2.053 0.224 -0.000 0.000 0.000 3/92274 640.0 0.547 2.023 0.221 -0.000 0.000 0.000 3/92274 650.0 0.539 1.994 0.218 -0.000 0.000 0.000 3/92274 660.0 0.532 1.965 0.215 -0.000 0.000 0.000 3/92274 670.0 0.525 1.938 0.212 -0.000 0.000 0.000 3/92274 680.0 0.518 1.911 0.209 -0.000 0.000 0.000 3/92274 690.0 0.511 1.885 0.207 -0.000 0.000 0.000 3/92274 700.0 0.505 1.860 0.204 -0.000 0.000 0.000 3/92274 710.0 0.498 1.835 0.201 -0.000 0.000 0.000 3/92274 720.0 0.492 1.811 0.199 -0.000 0.000 0.000 3/92274 730.0 0.486 1.787 0.196 -0.000 0.000 0.000 3/92274 740.0 0.480 1.764 0.194 -0.000 0.000 0.000 3/92274 750.0 0.474 1.742 0.192 -0.000 0.000 0.000 3/92274 760.0 0.469 1.720 0.189 -0.000 0.000 0.000 3/92274 770.0 0.463 1.699 0.187 -0.000 0.000 0.000 3/92274 780.0 0.458 1.678 0.185 -0.000 0.000 0.000 3/92274 790.0 0.452 1.658 0.183 -0.000 0.000 0.000 3/92274 800.0 0.447 1.638 0.181 -0.000 0.000 0.000 3/92274 810.0 0.442 1.619 0.179 -0.000 0.000 0.000 3/92274 820.0 0.437 1.600 0.177 -0.000 0.000 0.000 3/92274 830.0 0.432 1.582 0.175 -0.000 0.000 0.000 3/92274 840.0 0.427 1.564 0.173 -0.000 0.000 0.000 3/92274 850.0 0.423 1.546 0.171 -0.000 0.000 0.000 3/92274 860.0 0.418 1.529 0.169 -0.000 0.000 0.000 3/92274 870.0 0.414 1.512 0.167 -0.000 0.000 0.000 3/92274 880.0 0.409 1.496 0.166 -0.000 0.000 0.000 3/92274 890.0 0.405 1.480 0.164 -0.000 0.000 0.000 3/92274 900.0 0.401 1.464 0.162 -0.000 0.000 0.000 3/92274 910.0 0.397 1.448 0.160 -0.000 0.000 0.000 3/92274 920.0 0.393 1.433 0.159 -0.000 0.000 0.000 3/92274 930.0 0.389 1.418 0.157 -0.000 0.000 0.000 3/92274 940.0 0.385 1.404 0.156 -0.000 0.000 0.000 3/92274 950.0 0.381 1.390 0.154 -0.000 0.000 0.000 3/92274 960.0 0.377 1.376 0.153 -0.000 0.000 0.000 3/92274 970.0 0.374 1.362 0.151 -0.000 0.000 0.000 3/92274 980.0 0.370 1.348 0.150 -0.000 0.000 0.000 3/92274 990.0 0.367 1.335 0.148 -0.000 0.000 0.000 3/92274 1000.0 0.363 1.322 0.147 -0.000 0.000 0.000 3/92274 Thermal conductivity related properties were written into "kappa-m131313.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:21:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|