----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:51:03]------------------------- Compiled with OpenMP support (max 48 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: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.580858293197252 0.000000000000000 0.000000000000000 b 0.000000000000000 3.731045830000000 0.000000000000000 c -0.842795978446517 0.000000000000000 6.119377402809355 Atomic positions (fractional): *1 H 0.17730088093775 0.46338710124092 0.12673740671646 1.008 2 H 0.82269911906225 0.96338710124092 0.87326259328354 1.008 3 H 0.17730088093775 0.03661289875908 0.12673740671646 1.008 4 H 0.82269911906225 0.53661289875908 0.87326259328354 1.008 *5 N 0.21095568996993 0.25000000000000 0.23447441984207 14.007 6 N 0.78904431003007 0.75000000000000 0.76552558015793 14.007 *7 K 0.71281707852942 0.75000000000000 0.30982121055407 39.098 8 K 0.28718292147058 0.25000000000000 0.69017878944593 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.580858293197252 0.000000000000000 0.000000000000000 b 0.000000000000000 3.731045830000000 0.000000000000000 c -0.842795978446517 0.000000000000000 6.119377402809355 Atomic positions (fractional): *1 H 0.17730088093775 0.46338710124092 0.12673740671646 1.008 > 1 2 H 0.82269911906225 0.96338710124092 0.87326259328354 1.008 > 2 3 H 0.17730088093775 0.03661289875908 0.12673740671646 1.008 > 3 4 H 0.82269911906225 0.53661289875908 0.87326259328354 1.008 > 4 *5 N 0.21095568996993 0.25000000000000 0.23447441984207 14.007 > 5 6 N 0.78904431003007 0.75000000000000 0.76552558015793 14.007 > 6 *7 K 0.71281707852942 0.75000000000000 0.30982121055407 39.098 > 7 8 K 0.28718292147058 0.25000000000000 0.69017878944593 39.098 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.742574879591757 0.000000000000000 0.000000000000000 b 0.000000000000000 11.193137490000000 0.000000000000000 c -1.685591956893034 0.000000000000000 12.238754805618710 Atomic positions (fractional): *1 H 0.05910029364592 0.15446236708031 0.06336870335823 1.008 > 1 2 H 0.39243362697925 0.15446236708031 0.06336870335823 1.008 > 1 3 H 0.72576696031258 0.15446236708031 0.06336870335823 1.008 > 1 4 H 0.05910029364592 0.48779570041364 0.06336870335823 1.008 > 1 5 H 0.39243362697925 0.48779570041364 0.06336870335823 1.008 > 1 6 H 0.72576696031258 0.48779570041364 0.06336870335823 1.008 > 1 7 H 0.05910029364592 0.82112903374697 0.06336870335823 1.008 > 1 8 H 0.39243362697925 0.82112903374697 0.06336870335823 1.008 > 1 9 H 0.72576696031258 0.82112903374697 0.06336870335823 1.008 > 1 10 H 0.05910029364592 0.15446236708031 0.56336870335823 1.008 > 1 11 H 0.39243362697925 0.15446236708031 0.56336870335823 1.008 > 1 12 H 0.72576696031258 0.15446236708031 0.56336870335823 1.008 > 1 13 H 0.05910029364592 0.48779570041364 0.56336870335823 1.008 > 1 14 H 0.39243362697925 0.48779570041364 0.56336870335823 1.008 > 1 15 H 0.72576696031258 0.48779570041364 0.56336870335823 1.008 > 1 16 H 0.05910029364592 0.82112903374697 0.56336870335823 1.008 > 1 17 H 0.39243362697925 0.82112903374697 0.56336870335823 1.008 > 1 18 H 0.72576696031258 0.82112903374697 0.56336870335823 1.008 > 1 19 H 0.27423303968742 0.32112903374697 0.43663129664177 1.008 > 2 20 H 0.60756637302075 0.32112903374697 0.43663129664177 1.008 > 2 21 H 0.94089970635408 0.32112903374697 0.43663129664177 1.008 > 2 22 H 0.27423303968742 0.65446236708031 0.43663129664177 1.008 > 2 23 H 0.60756637302075 0.65446236708031 0.43663129664177 1.008 > 2 24 H 0.94089970635408 0.65446236708031 0.43663129664177 1.008 > 2 25 H 0.27423303968742 0.98779570041364 0.43663129664177 1.008 > 2 26 H 0.60756637302075 0.98779570041364 0.43663129664177 1.008 > 2 27 H 0.94089970635408 0.98779570041364 0.43663129664177 1.008 > 2 28 H 0.27423303968742 0.32112903374697 0.93663129664177 1.008 > 2 29 H 0.60756637302075 0.32112903374697 0.93663129664177 1.008 > 2 30 H 0.94089970635408 0.32112903374697 0.93663129664177 1.008 > 2 31 H 0.27423303968742 0.65446236708031 0.93663129664177 1.008 > 2 32 H 0.60756637302075 0.65446236708031 0.93663129664177 1.008 > 2 33 H 0.94089970635408 0.65446236708031 0.93663129664177 1.008 > 2 34 H 0.27423303968742 0.98779570041364 0.93663129664177 1.008 > 2 35 H 0.60756637302075 0.98779570041364 0.93663129664177 1.008 > 2 36 H 0.94089970635408 0.98779570041364 0.93663129664177 1.008 > 2 37 H 0.05910029364592 0.01220429958636 0.06336870335823 1.008 > 3 38 H 0.39243362697925 0.01220429958636 0.06336870335823 1.008 > 3 39 H 0.72576696031258 0.01220429958636 0.06336870335823 1.008 > 3 40 H 0.05910029364592 0.34553763291969 0.06336870335823 1.008 > 3 41 H 0.39243362697925 0.34553763291969 0.06336870335823 1.008 > 3 42 H 0.72576696031258 0.34553763291969 0.06336870335823 1.008 > 3 43 H 0.05910029364592 0.67887096625303 0.06336870335823 1.008 > 3 44 H 0.39243362697925 0.67887096625303 0.06336870335823 1.008 > 3 45 H 0.72576696031258 0.67887096625303 0.06336870335823 1.008 > 3 46 H 0.05910029364592 0.01220429958636 0.56336870335823 1.008 > 3 47 H 0.39243362697925 0.01220429958636 0.56336870335823 1.008 > 3 48 H 0.72576696031258 0.01220429958636 0.56336870335823 1.008 > 3 49 H 0.05910029364592 0.34553763291969 0.56336870335823 1.008 > 3 50 H 0.39243362697925 0.34553763291969 0.56336870335823 1.008 > 3 51 H 0.72576696031258 0.34553763291969 0.56336870335823 1.008 > 3 52 H 0.05910029364592 0.67887096625303 0.56336870335823 1.008 > 3 53 H 0.39243362697925 0.67887096625303 0.56336870335823 1.008 > 3 54 H 0.72576696031258 0.67887096625303 0.56336870335823 1.008 > 3 55 H 0.27423303968742 0.17887096625303 0.43663129664177 1.008 > 4 56 H 0.60756637302075 0.17887096625303 0.43663129664177 1.008 > 4 57 H 0.94089970635408 0.17887096625303 0.43663129664177 1.008 > 4 58 H 0.27423303968742 0.51220429958636 0.43663129664177 1.008 > 4 59 H 0.60756637302075 0.51220429958636 0.43663129664177 1.008 > 4 60 H 0.94089970635408 0.51220429958636 0.43663129664177 1.008 > 4 61 H 0.27423303968742 0.84553763291969 0.43663129664177 1.008 > 4 62 H 0.60756637302075 0.84553763291969 0.43663129664177 1.008 > 4 63 H 0.94089970635408 0.84553763291969 0.43663129664177 1.008 > 4 64 H 0.27423303968742 0.17887096625303 0.93663129664177 1.008 > 4 65 H 0.60756637302075 0.17887096625303 0.93663129664177 1.008 > 4 66 H 0.94089970635408 0.17887096625303 0.93663129664177 1.008 > 4 67 H 0.27423303968742 0.51220429958636 0.93663129664177 1.008 > 4 68 H 0.60756637302075 0.51220429958636 0.93663129664177 1.008 > 4 69 H 0.94089970635408 0.51220429958636 0.93663129664177 1.008 > 4 70 H 0.27423303968742 0.84553763291969 0.93663129664177 1.008 > 4 71 H 0.60756637302075 0.84553763291969 0.93663129664177 1.008 > 4 72 H 0.94089970635408 0.84553763291969 0.93663129664177 1.008 > 4 *73 N 0.07031856332331 0.08333333333333 0.11723720992104 14.007 > 5 74 N 0.40365189665664 0.08333333333333 0.11723720992104 14.007 > 5 75 N 0.73698522998998 0.08333333333333 0.11723720992104 14.007 > 5 76 N 0.07031856332331 0.41666666666667 0.11723720992104 14.007 > 5 77 N 0.40365189665664 0.41666666666667 0.11723720992104 14.007 > 5 78 N 0.73698522998998 0.41666666666667 0.11723720992104 14.007 > 5 79 N 0.07031856332331 0.75000000000000 0.11723720992104 14.007 > 5 80 N 0.40365189665664 0.75000000000000 0.11723720992104 14.007 > 5 81 N 0.73698522998998 0.75000000000000 0.11723720992104 14.007 > 5 82 N 0.07031856332331 0.08333333333333 0.61723720992104 14.007 > 5 83 N 0.40365189665664 0.08333333333333 0.61723720992104 14.007 > 5 84 N 0.73698522998998 0.08333333333333 0.61723720992104 14.007 > 5 85 N 0.07031856332331 0.41666666666667 0.61723720992104 14.007 > 5 86 N 0.40365189665664 0.41666666666667 0.61723720992104 14.007 > 5 87 N 0.73698522998998 0.41666666666667 0.61723720992104 14.007 > 5 88 N 0.07031856332331 0.75000000000000 0.61723720992104 14.007 > 5 89 N 0.40365189665664 0.75000000000000 0.61723720992104 14.007 > 5 90 N 0.73698522998998 0.75000000000000 0.61723720992104 14.007 > 5 91 N 0.26301477001002 0.25000000000000 0.38276279007896 14.007 > 6 92 N 0.59634810334336 0.25000000000000 0.38276279007896 14.007 > 6 93 N 0.92968143667669 0.25000000000000 0.38276279007896 14.007 > 6 94 N 0.26301477001002 0.58333333333333 0.38276279007896 14.007 > 6 95 N 0.59634810334336 0.58333333333333 0.38276279007896 14.007 > 6 96 N 0.92968143667669 0.58333333333333 0.38276279007896 14.007 > 6 97 N 0.26301477001002 0.91666666666667 0.38276279007896 14.007 > 6 98 N 0.59634810334336 0.91666666666667 0.38276279007896 14.007 > 6 99 N 0.92968143667669 0.91666666666667 0.38276279007896 14.007 > 6 100 N 0.26301477001002 0.25000000000000 0.88276279007896 14.007 > 6 101 N 0.59634810334336 0.25000000000000 0.88276279007896 14.007 > 6 102 N 0.92968143667669 0.25000000000000 0.88276279007896 14.007 > 6 103 N 0.26301477001002 0.58333333333333 0.88276279007896 14.007 > 6 104 N 0.59634810334336 0.58333333333333 0.88276279007896 14.007 > 6 105 N 0.92968143667669 0.58333333333333 0.88276279007896 14.007 > 6 106 N 0.26301477001002 0.91666666666667 0.88276279007896 14.007 > 6 107 N 0.59634810334336 0.91666666666667 0.88276279007896 14.007 > 6 108 N 0.92968143667669 0.91666666666667 0.88276279007896 14.007 > 6 *109 K 0.23760569284314 0.25000000000000 0.15491060527703 39.098 > 7 110 K 0.57093902617647 0.25000000000000 0.15491060527703 39.098 > 7 111 K 0.90427235950981 0.25000000000000 0.15491060527703 39.098 > 7 112 K 0.23760569284314 0.58333333333333 0.15491060527703 39.098 > 7 113 K 0.57093902617647 0.58333333333333 0.15491060527703 39.098 > 7 114 K 0.90427235950981 0.58333333333333 0.15491060527703 39.098 > 7 115 K 0.23760569284314 0.91666666666667 0.15491060527703 39.098 > 7 116 K 0.57093902617647 0.91666666666667 0.15491060527703 39.098 > 7 117 K 0.90427235950981 0.91666666666667 0.15491060527703 39.098 > 7 118 K 0.23760569284314 0.25000000000000 0.65491060527703 39.098 > 7 119 K 0.57093902617647 0.25000000000000 0.65491060527703 39.098 > 7 120 K 0.90427235950981 0.25000000000000 0.65491060527703 39.098 > 7 121 K 0.23760569284314 0.58333333333333 0.65491060527703 39.098 > 7 122 K 0.57093902617647 0.58333333333333 0.65491060527703 39.098 > 7 123 K 0.90427235950981 0.58333333333333 0.65491060527703 39.098 > 7 124 K 0.23760569284314 0.91666666666667 0.65491060527703 39.098 > 7 125 K 0.57093902617647 0.91666666666667 0.65491060527703 39.098 > 7 126 K 0.90427235950981 0.91666666666667 0.65491060527703 39.098 > 7 127 K 0.09572764049019 0.08333333333333 0.34508939472297 39.098 > 8 128 K 0.42906097382353 0.08333333333333 0.34508939472297 39.098 > 8 129 K 0.76239430715686 0.08333333333333 0.34508939472297 39.098 > 8 130 K 0.09572764049019 0.41666666666667 0.34508939472297 39.098 > 8 131 K 0.42906097382353 0.41666666666667 0.34508939472297 39.098 > 8 132 K 0.76239430715686 0.41666666666667 0.34508939472297 39.098 > 8 133 K 0.09572764049019 0.75000000000000 0.34508939472297 39.098 > 8 134 K 0.42906097382353 0.75000000000000 0.34508939472297 39.098 > 8 135 K 0.76239430715686 0.75000000000000 0.34508939472297 39.098 > 8 136 K 0.09572764049019 0.08333333333333 0.84508939472297 39.098 > 8 137 K 0.42906097382353 0.08333333333333 0.84508939472297 39.098 > 8 138 K 0.76239430715686 0.08333333333333 0.84508939472297 39.098 > 8 139 K 0.09572764049019 0.41666666666667 0.84508939472297 39.098 > 8 140 K 0.42906097382353 0.41666666666667 0.84508939472297 39.098 > 8 141 K 0.76239430715686 0.41666666666667 0.84508939472297 39.098 > 8 142 K 0.09572764049019 0.75000000000000 0.84508939472297 39.098 > 8 143 K 0.42906097382353 0.75000000000000 0.84508939472297 39.098 > 8 144 K 0.76239430715686 0.75000000000000 0.84508939472297 39.098 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2026895 0.0000000 0.0231620 0.0000000 2.5014133 0.0000000 0.0231620 0.0000000 2.7085226 -------------------------- Born effective charges -------------------------- 1 H 0.2749807 0.0000022 0.0219679 -0.0039914 -0.0062241 0.2000908 0.0276233 0.1774084 -0.0454409 2 H 0.2749807 -0.0000022 0.0219679 0.0039914 -0.0062241 -0.2000908 0.0276233 -0.1774084 -0.0454409 3 H 0.2749807 -0.0000022 0.0219679 0.0039914 -0.0062241 -0.2000908 0.0276233 -0.1774084 -0.0454409 4 H 0.2749807 0.0000022 0.0219679 -0.0039914 -0.0062241 0.2000908 0.0276233 0.1774084 -0.0454409 5 N -1.6388918 0.0000000 -0.0237830 0.0000000 -1.0530051 0.0000000 -0.0386959 0.0000000 -1.0541525 6 N -1.6388918 0.0000000 -0.0237830 0.0000000 -1.0530051 0.0000000 -0.0386959 0.0000000 -1.0541525 7 K 1.0889304 0.0000000 -0.0201528 0.0000000 1.0654534 0.0000000 -0.0165507 0.0000000 1.1450342 8 K 1.0889304 0.0000000 -0.0201528 0.0000000 1.0654534 0.0000000 -0.0165507 0.0000000 1.1450342 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1404 Number of blocks in projector: 1404 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: 312 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1404, 1386), data: False |-- (188, 185), data: True |-- (188, 185), data: True |-- (188, 185), data: True |-- (264, 262), data: True |-- (264, 262), data: True |-- (312, 307), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 0.416 Solver_block: 200 / 240 - Time: 0.429 Solver_block: 240 / 240 - Time: 0.216 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.088 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1404 Number of blocks in projector: 1404 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: 312 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1404, 1386), data: False |-- (188, 185), data: True |-- (188, 185), data: True |-- (188, 185), data: True |-- (264, 262), data: True |-- (264, 262), data: True |-- (312, 307), 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 05:51:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:51:16]------------------------- Compiled with OpenMP support (max 48 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.580858293197252 0.000000000000000 0.000000000000000 b 0.000000000000000 3.731045830000000 0.000000000000000 c -0.842795978446517 0.000000000000000 6.119377402809355 Atomic positions (fractional): 1 H 0.17730088093775 0.46338710124092 0.12673740671646 1.008 2 H 0.82269911906225 0.96338710124092 0.87326259328354 1.008 3 H 0.17730088093775 0.03661289875908 0.12673740671646 1.008 4 H 0.82269911906225 0.53661289875908 0.87326259328354 1.008 5 N 0.21095568996993 0.25000000000000 0.23447441984207 14.007 6 N 0.78904431003007 0.75000000000000 0.76552558015793 14.007 7 K 0.71281707852942 0.75000000000000 0.30982121055407 39.098 8 K 0.28718292147058 0.25000000000000 0.69017878944593 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.742574879591757 0.000000000000000 0.000000000000000 b 0.000000000000000 11.193137490000000 0.000000000000000 c -1.685591956893034 0.000000000000000 12.238754805618710 Atomic positions (fractional): 1 H 0.05910029364592 0.15446236708031 0.06336870335823 1.008 > 1 2 H 0.39243362697925 0.15446236708031 0.06336870335823 1.008 > 1 3 H 0.72576696031258 0.15446236708031 0.06336870335823 1.008 > 1 4 H 0.05910029364592 0.48779570041364 0.06336870335823 1.008 > 1 5 H 0.39243362697925 0.48779570041364 0.06336870335823 1.008 > 1 6 H 0.72576696031258 0.48779570041364 0.06336870335823 1.008 > 1 7 H 0.05910029364592 0.82112903374697 0.06336870335823 1.008 > 1 8 H 0.39243362697925 0.82112903374697 0.06336870335823 1.008 > 1 9 H 0.72576696031258 0.82112903374697 0.06336870335823 1.008 > 1 10 H 0.05910029364592 0.15446236708031 0.56336870335823 1.008 > 1 11 H 0.39243362697925 0.15446236708031 0.56336870335823 1.008 > 1 12 H 0.72576696031258 0.15446236708031 0.56336870335823 1.008 > 1 13 H 0.05910029364592 0.48779570041364 0.56336870335823 1.008 > 1 14 H 0.39243362697925 0.48779570041364 0.56336870335823 1.008 > 1 15 H 0.72576696031258 0.48779570041364 0.56336870335823 1.008 > 1 16 H 0.05910029364592 0.82112903374697 0.56336870335823 1.008 > 1 17 H 0.39243362697925 0.82112903374697 0.56336870335823 1.008 > 1 18 H 0.72576696031258 0.82112903374697 0.56336870335823 1.008 > 1 19 H 0.27423303968742 0.32112903374697 0.43663129664177 1.008 > 19 20 H 0.60756637302075 0.32112903374697 0.43663129664177 1.008 > 19 21 H 0.94089970635408 0.32112903374697 0.43663129664177 1.008 > 19 22 H 0.27423303968742 0.65446236708031 0.43663129664177 1.008 > 19 23 H 0.60756637302075 0.65446236708031 0.43663129664177 1.008 > 19 24 H 0.94089970635408 0.65446236708031 0.43663129664177 1.008 > 19 25 H 0.27423303968742 0.98779570041364 0.43663129664177 1.008 > 19 26 H 0.60756637302075 0.98779570041364 0.43663129664177 1.008 > 19 27 H 0.94089970635408 0.98779570041364 0.43663129664177 1.008 > 19 28 H 0.27423303968742 0.32112903374697 0.93663129664177 1.008 > 19 29 H 0.60756637302075 0.32112903374697 0.93663129664177 1.008 > 19 30 H 0.94089970635408 0.32112903374697 0.93663129664177 1.008 > 19 31 H 0.27423303968742 0.65446236708031 0.93663129664177 1.008 > 19 32 H 0.60756637302075 0.65446236708031 0.93663129664177 1.008 > 19 33 H 0.94089970635408 0.65446236708031 0.93663129664177 1.008 > 19 34 H 0.27423303968742 0.98779570041364 0.93663129664177 1.008 > 19 35 H 0.60756637302075 0.98779570041364 0.93663129664177 1.008 > 19 36 H 0.94089970635408 0.98779570041364 0.93663129664177 1.008 > 19 37 H 0.05910029364592 0.01220429958636 0.06336870335823 1.008 > 37 38 H 0.39243362697925 0.01220429958636 0.06336870335823 1.008 > 37 39 H 0.72576696031258 0.01220429958636 0.06336870335823 1.008 > 37 40 H 0.05910029364592 0.34553763291969 0.06336870335823 1.008 > 37 41 H 0.39243362697925 0.34553763291969 0.06336870335823 1.008 > 37 42 H 0.72576696031258 0.34553763291969 0.06336870335823 1.008 > 37 43 H 0.05910029364592 0.67887096625303 0.06336870335823 1.008 > 37 44 H 0.39243362697925 0.67887096625303 0.06336870335823 1.008 > 37 45 H 0.72576696031258 0.67887096625303 0.06336870335823 1.008 > 37 46 H 0.05910029364592 0.01220429958636 0.56336870335823 1.008 > 37 47 H 0.39243362697925 0.01220429958636 0.56336870335823 1.008 > 37 48 H 0.72576696031258 0.01220429958636 0.56336870335823 1.008 > 37 49 H 0.05910029364592 0.34553763291969 0.56336870335823 1.008 > 37 50 H 0.39243362697925 0.34553763291969 0.56336870335823 1.008 > 37 51 H 0.72576696031258 0.34553763291969 0.56336870335823 1.008 > 37 52 H 0.05910029364592 0.67887096625303 0.56336870335823 1.008 > 37 53 H 0.39243362697925 0.67887096625303 0.56336870335823 1.008 > 37 54 H 0.72576696031258 0.67887096625303 0.56336870335823 1.008 > 37 55 H 0.27423303968742 0.17887096625303 0.43663129664177 1.008 > 55 56 H 0.60756637302075 0.17887096625303 0.43663129664177 1.008 > 55 57 H 0.94089970635408 0.17887096625303 0.43663129664177 1.008 > 55 58 H 0.27423303968742 0.51220429958636 0.43663129664177 1.008 > 55 59 H 0.60756637302075 0.51220429958636 0.43663129664177 1.008 > 55 60 H 0.94089970635408 0.51220429958636 0.43663129664177 1.008 > 55 61 H 0.27423303968742 0.84553763291969 0.43663129664177 1.008 > 55 62 H 0.60756637302075 0.84553763291969 0.43663129664177 1.008 > 55 63 H 0.94089970635408 0.84553763291969 0.43663129664177 1.008 > 55 64 H 0.27423303968742 0.17887096625303 0.93663129664177 1.008 > 55 65 H 0.60756637302075 0.17887096625303 0.93663129664177 1.008 > 55 66 H 0.94089970635408 0.17887096625303 0.93663129664177 1.008 > 55 67 H 0.27423303968742 0.51220429958636 0.93663129664177 1.008 > 55 68 H 0.60756637302075 0.51220429958636 0.93663129664177 1.008 > 55 69 H 0.94089970635408 0.51220429958636 0.93663129664177 1.008 > 55 70 H 0.27423303968742 0.84553763291969 0.93663129664177 1.008 > 55 71 H 0.60756637302075 0.84553763291969 0.93663129664177 1.008 > 55 72 H 0.94089970635408 0.84553763291969 0.93663129664177 1.008 > 55 73 N 0.07031856332331 0.08333333333333 0.11723720992104 14.007 > 73 74 N 0.40365189665664 0.08333333333333 0.11723720992104 14.007 > 73 75 N 0.73698522998998 0.08333333333333 0.11723720992104 14.007 > 73 76 N 0.07031856332331 0.41666666666667 0.11723720992104 14.007 > 73 77 N 0.40365189665664 0.41666666666667 0.11723720992104 14.007 > 73 78 N 0.73698522998998 0.41666666666667 0.11723720992104 14.007 > 73 79 N 0.07031856332331 0.75000000000000 0.11723720992104 14.007 > 73 80 N 0.40365189665664 0.75000000000000 0.11723720992104 14.007 > 73 81 N 0.73698522998998 0.75000000000000 0.11723720992104 14.007 > 73 82 N 0.07031856332331 0.08333333333333 0.61723720992104 14.007 > 73 83 N 0.40365189665664 0.08333333333333 0.61723720992104 14.007 > 73 84 N 0.73698522998998 0.08333333333333 0.61723720992104 14.007 > 73 85 N 0.07031856332331 0.41666666666667 0.61723720992104 14.007 > 73 86 N 0.40365189665664 0.41666666666667 0.61723720992104 14.007 > 73 87 N 0.73698522998998 0.41666666666667 0.61723720992104 14.007 > 73 88 N 0.07031856332331 0.75000000000000 0.61723720992104 14.007 > 73 89 N 0.40365189665664 0.75000000000000 0.61723720992104 14.007 > 73 90 N 0.73698522998998 0.75000000000000 0.61723720992104 14.007 > 73 91 N 0.26301477001002 0.25000000000000 0.38276279007896 14.007 > 91 92 N 0.59634810334336 0.25000000000000 0.38276279007896 14.007 > 91 93 N 0.92968143667669 0.25000000000000 0.38276279007896 14.007 > 91 94 N 0.26301477001002 0.58333333333333 0.38276279007896 14.007 > 91 95 N 0.59634810334336 0.58333333333333 0.38276279007896 14.007 > 91 96 N 0.92968143667669 0.58333333333333 0.38276279007896 14.007 > 91 97 N 0.26301477001002 0.91666666666667 0.38276279007896 14.007 > 91 98 N 0.59634810334336 0.91666666666667 0.38276279007896 14.007 > 91 99 N 0.92968143667669 0.91666666666667 0.38276279007896 14.007 > 91 100 N 0.26301477001002 0.25000000000000 0.88276279007896 14.007 > 91 101 N 0.59634810334336 0.25000000000000 0.88276279007896 14.007 > 91 102 N 0.92968143667669 0.25000000000000 0.88276279007896 14.007 > 91 103 N 0.26301477001002 0.58333333333333 0.88276279007896 14.007 > 91 104 N 0.59634810334336 0.58333333333333 0.88276279007896 14.007 > 91 105 N 0.92968143667669 0.58333333333333 0.88276279007896 14.007 > 91 106 N 0.26301477001002 0.91666666666667 0.88276279007896 14.007 > 91 107 N 0.59634810334336 0.91666666666667 0.88276279007896 14.007 > 91 108 N 0.92968143667669 0.91666666666667 0.88276279007896 14.007 > 91 109 K 0.23760569284314 0.25000000000000 0.15491060527703 39.098 > 109 110 K 0.57093902617647 0.25000000000000 0.15491060527703 39.098 > 109 111 K 0.90427235950981 0.25000000000000 0.15491060527703 39.098 > 109 112 K 0.23760569284314 0.58333333333333 0.15491060527703 39.098 > 109 113 K 0.57093902617647 0.58333333333333 0.15491060527703 39.098 > 109 114 K 0.90427235950981 0.58333333333333 0.15491060527703 39.098 > 109 115 K 0.23760569284314 0.91666666666667 0.15491060527703 39.098 > 109 116 K 0.57093902617647 0.91666666666667 0.15491060527703 39.098 > 109 117 K 0.90427235950981 0.91666666666667 0.15491060527703 39.098 > 109 118 K 0.23760569284314 0.25000000000000 0.65491060527703 39.098 > 109 119 K 0.57093902617647 0.25000000000000 0.65491060527703 39.098 > 109 120 K 0.90427235950981 0.25000000000000 0.65491060527703 39.098 > 109 121 K 0.23760569284314 0.58333333333333 0.65491060527703 39.098 > 109 122 K 0.57093902617647 0.58333333333333 0.65491060527703 39.098 > 109 123 K 0.90427235950981 0.58333333333333 0.65491060527703 39.098 > 109 124 K 0.23760569284314 0.91666666666667 0.65491060527703 39.098 > 109 125 K 0.57093902617647 0.91666666666667 0.65491060527703 39.098 > 109 126 K 0.90427235950981 0.91666666666667 0.65491060527703 39.098 > 109 127 K 0.09572764049019 0.08333333333333 0.34508939472297 39.098 > 127 128 K 0.42906097382353 0.08333333333333 0.34508939472297 39.098 > 127 129 K 0.76239430715686 0.08333333333333 0.34508939472297 39.098 > 127 130 K 0.09572764049019 0.41666666666667 0.34508939472297 39.098 > 127 131 K 0.42906097382353 0.41666666666667 0.34508939472297 39.098 > 127 132 K 0.76239430715686 0.41666666666667 0.34508939472297 39.098 > 127 133 K 0.09572764049019 0.75000000000000 0.34508939472297 39.098 > 127 134 K 0.42906097382353 0.75000000000000 0.34508939472297 39.098 > 127 135 K 0.76239430715686 0.75000000000000 0.34508939472297 39.098 > 127 136 K 0.09572764049019 0.08333333333333 0.84508939472297 39.098 > 127 137 K 0.42906097382353 0.08333333333333 0.84508939472297 39.098 > 127 138 K 0.76239430715686 0.08333333333333 0.84508939472297 39.098 > 127 139 K 0.09572764049019 0.41666666666667 0.84508939472297 39.098 > 127 140 K 0.42906097382353 0.41666666666667 0.84508939472297 39.098 > 127 141 K 0.76239430715686 0.41666666666667 0.84508939472297 39.098 > 127 142 K 0.09572764049019 0.75000000000000 0.84508939472297 39.098 > 127 143 K 0.42906097382353 0.75000000000000 0.84508939472297 39.098 > 127 144 K 0.76239430715686 0.75000000000000 0.84508939472297 39.098 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2026895 0.0000000 0.0231620 0.0000000 2.5014133 0.0000000 0.0231620 0.0000000 2.7085226 -------------------------- Born effective charges -------------------------- 1 H 0.2749807 0.0000022 0.0219679 -0.0039914 -0.0062241 0.2000908 0.0276233 0.1774084 -0.0454409 2 H 0.2749807 -0.0000022 0.0219679 0.0039914 -0.0062241 -0.2000908 0.0276233 -0.1774084 -0.0454409 3 H 0.2749807 -0.0000022 0.0219679 0.0039914 -0.0062241 -0.2000908 0.0276233 -0.1774084 -0.0454409 4 H 0.2749807 0.0000022 0.0219679 -0.0039914 -0.0062241 0.2000908 0.0276233 0.1774084 -0.0454409 5 N -1.6388918 0.0000000 -0.0237830 0.0000000 -1.0530051 0.0000000 -0.0386959 0.0000000 -1.0541525 6 N -1.6388918 0.0000000 -0.0237830 0.0000000 -1.0530051 0.0000000 -0.0386959 0.0000000 -1.0541525 7 K 1.0889304 0.0000000 -0.0201528 0.0000000 1.0654534 0.0000000 -0.0165507 0.0000000 1.1450342 8 K 1.0889304 0.0000000 -0.0201528 0.0000000 1.0654534 0.0000000 -0.0165507 0.0000000 1.1450342 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 73, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 109, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:51:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:51:29]------------------------- Compiled with OpenMP support (max 48 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.580858293197252 0.000000000000000 0.000000000000000 b 0.000000000000000 3.731045830000000 0.000000000000000 c -0.842795978446517 0.000000000000000 6.119377402809355 Atomic positions (fractional): 1 H 0.17730088093775 0.46338710124092 0.12673740671646 1.008 2 H 0.82269911906225 0.96338710124092 0.87326259328354 1.008 3 H 0.17730088093775 0.03661289875908 0.12673740671646 1.008 4 H 0.82269911906225 0.53661289875908 0.87326259328354 1.008 5 N 0.21095568996993 0.25000000000000 0.23447441984207 14.007 6 N 0.78904431003007 0.75000000000000 0.76552558015793 14.007 7 K 0.71281707852942 0.75000000000000 0.30982121055407 39.098 8 K 0.28718292147058 0.25000000000000 0.69017878944593 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.742574879591757 0.000000000000000 0.000000000000000 b 0.000000000000000 11.193137490000000 0.000000000000000 c -1.685591956893034 0.000000000000000 12.238754805618710 Atomic positions (fractional): 1 H 0.05910029364592 0.15446236708031 0.06336870335823 1.008 > 1 2 H 0.39243362697925 0.15446236708031 0.06336870335823 1.008 > 1 3 H 0.72576696031258 0.15446236708031 0.06336870335823 1.008 > 1 4 H 0.05910029364592 0.48779570041364 0.06336870335823 1.008 > 1 5 H 0.39243362697925 0.48779570041364 0.06336870335823 1.008 > 1 6 H 0.72576696031258 0.48779570041364 0.06336870335823 1.008 > 1 7 H 0.05910029364592 0.82112903374697 0.06336870335823 1.008 > 1 8 H 0.39243362697925 0.82112903374697 0.06336870335823 1.008 > 1 9 H 0.72576696031258 0.82112903374697 0.06336870335823 1.008 > 1 10 H 0.05910029364592 0.15446236708031 0.56336870335823 1.008 > 1 11 H 0.39243362697925 0.15446236708031 0.56336870335823 1.008 > 1 12 H 0.72576696031258 0.15446236708031 0.56336870335823 1.008 > 1 13 H 0.05910029364592 0.48779570041364 0.56336870335823 1.008 > 1 14 H 0.39243362697925 0.48779570041364 0.56336870335823 1.008 > 1 15 H 0.72576696031258 0.48779570041364 0.56336870335823 1.008 > 1 16 H 0.05910029364592 0.82112903374697 0.56336870335823 1.008 > 1 17 H 0.39243362697925 0.82112903374697 0.56336870335823 1.008 > 1 18 H 0.72576696031258 0.82112903374697 0.56336870335823 1.008 > 1 19 H 0.27423303968742 0.32112903374697 0.43663129664177 1.008 > 19 20 H 0.60756637302075 0.32112903374697 0.43663129664177 1.008 > 19 21 H 0.94089970635408 0.32112903374697 0.43663129664177 1.008 > 19 22 H 0.27423303968742 0.65446236708031 0.43663129664177 1.008 > 19 23 H 0.60756637302075 0.65446236708031 0.43663129664177 1.008 > 19 24 H 0.94089970635408 0.65446236708031 0.43663129664177 1.008 > 19 25 H 0.27423303968742 0.98779570041364 0.43663129664177 1.008 > 19 26 H 0.60756637302075 0.98779570041364 0.43663129664177 1.008 > 19 27 H 0.94089970635408 0.98779570041364 0.43663129664177 1.008 > 19 28 H 0.27423303968742 0.32112903374697 0.93663129664177 1.008 > 19 29 H 0.60756637302075 0.32112903374697 0.93663129664177 1.008 > 19 30 H 0.94089970635408 0.32112903374697 0.93663129664177 1.008 > 19 31 H 0.27423303968742 0.65446236708031 0.93663129664177 1.008 > 19 32 H 0.60756637302075 0.65446236708031 0.93663129664177 1.008 > 19 33 H 0.94089970635408 0.65446236708031 0.93663129664177 1.008 > 19 34 H 0.27423303968742 0.98779570041364 0.93663129664177 1.008 > 19 35 H 0.60756637302075 0.98779570041364 0.93663129664177 1.008 > 19 36 H 0.94089970635408 0.98779570041364 0.93663129664177 1.008 > 19 37 H 0.05910029364592 0.01220429958636 0.06336870335823 1.008 > 37 38 H 0.39243362697925 0.01220429958636 0.06336870335823 1.008 > 37 39 H 0.72576696031258 0.01220429958636 0.06336870335823 1.008 > 37 40 H 0.05910029364592 0.34553763291969 0.06336870335823 1.008 > 37 41 H 0.39243362697925 0.34553763291969 0.06336870335823 1.008 > 37 42 H 0.72576696031258 0.34553763291969 0.06336870335823 1.008 > 37 43 H 0.05910029364592 0.67887096625303 0.06336870335823 1.008 > 37 44 H 0.39243362697925 0.67887096625303 0.06336870335823 1.008 > 37 45 H 0.72576696031258 0.67887096625303 0.06336870335823 1.008 > 37 46 H 0.05910029364592 0.01220429958636 0.56336870335823 1.008 > 37 47 H 0.39243362697925 0.01220429958636 0.56336870335823 1.008 > 37 48 H 0.72576696031258 0.01220429958636 0.56336870335823 1.008 > 37 49 H 0.05910029364592 0.34553763291969 0.56336870335823 1.008 > 37 50 H 0.39243362697925 0.34553763291969 0.56336870335823 1.008 > 37 51 H 0.72576696031258 0.34553763291969 0.56336870335823 1.008 > 37 52 H 0.05910029364592 0.67887096625303 0.56336870335823 1.008 > 37 53 H 0.39243362697925 0.67887096625303 0.56336870335823 1.008 > 37 54 H 0.72576696031258 0.67887096625303 0.56336870335823 1.008 > 37 55 H 0.27423303968742 0.17887096625303 0.43663129664177 1.008 > 55 56 H 0.60756637302075 0.17887096625303 0.43663129664177 1.008 > 55 57 H 0.94089970635408 0.17887096625303 0.43663129664177 1.008 > 55 58 H 0.27423303968742 0.51220429958636 0.43663129664177 1.008 > 55 59 H 0.60756637302075 0.51220429958636 0.43663129664177 1.008 > 55 60 H 0.94089970635408 0.51220429958636 0.43663129664177 1.008 > 55 61 H 0.27423303968742 0.84553763291969 0.43663129664177 1.008 > 55 62 H 0.60756637302075 0.84553763291969 0.43663129664177 1.008 > 55 63 H 0.94089970635408 0.84553763291969 0.43663129664177 1.008 > 55 64 H 0.27423303968742 0.17887096625303 0.93663129664177 1.008 > 55 65 H 0.60756637302075 0.17887096625303 0.93663129664177 1.008 > 55 66 H 0.94089970635408 0.17887096625303 0.93663129664177 1.008 > 55 67 H 0.27423303968742 0.51220429958636 0.93663129664177 1.008 > 55 68 H 0.60756637302075 0.51220429958636 0.93663129664177 1.008 > 55 69 H 0.94089970635408 0.51220429958636 0.93663129664177 1.008 > 55 70 H 0.27423303968742 0.84553763291969 0.93663129664177 1.008 > 55 71 H 0.60756637302075 0.84553763291969 0.93663129664177 1.008 > 55 72 H 0.94089970635408 0.84553763291969 0.93663129664177 1.008 > 55 73 N 0.07031856332331 0.08333333333333 0.11723720992104 14.007 > 73 74 N 0.40365189665664 0.08333333333333 0.11723720992104 14.007 > 73 75 N 0.73698522998998 0.08333333333333 0.11723720992104 14.007 > 73 76 N 0.07031856332331 0.41666666666667 0.11723720992104 14.007 > 73 77 N 0.40365189665664 0.41666666666667 0.11723720992104 14.007 > 73 78 N 0.73698522998998 0.41666666666667 0.11723720992104 14.007 > 73 79 N 0.07031856332331 0.75000000000000 0.11723720992104 14.007 > 73 80 N 0.40365189665664 0.75000000000000 0.11723720992104 14.007 > 73 81 N 0.73698522998998 0.75000000000000 0.11723720992104 14.007 > 73 82 N 0.07031856332331 0.08333333333333 0.61723720992104 14.007 > 73 83 N 0.40365189665664 0.08333333333333 0.61723720992104 14.007 > 73 84 N 0.73698522998998 0.08333333333333 0.61723720992104 14.007 > 73 85 N 0.07031856332331 0.41666666666667 0.61723720992104 14.007 > 73 86 N 0.40365189665664 0.41666666666667 0.61723720992104 14.007 > 73 87 N 0.73698522998998 0.41666666666667 0.61723720992104 14.007 > 73 88 N 0.07031856332331 0.75000000000000 0.61723720992104 14.007 > 73 89 N 0.40365189665664 0.75000000000000 0.61723720992104 14.007 > 73 90 N 0.73698522998998 0.75000000000000 0.61723720992104 14.007 > 73 91 N 0.26301477001002 0.25000000000000 0.38276279007896 14.007 > 91 92 N 0.59634810334336 0.25000000000000 0.38276279007896 14.007 > 91 93 N 0.92968143667669 0.25000000000000 0.38276279007896 14.007 > 91 94 N 0.26301477001002 0.58333333333333 0.38276279007896 14.007 > 91 95 N 0.59634810334336 0.58333333333333 0.38276279007896 14.007 > 91 96 N 0.92968143667669 0.58333333333333 0.38276279007896 14.007 > 91 97 N 0.26301477001002 0.91666666666667 0.38276279007896 14.007 > 91 98 N 0.59634810334336 0.91666666666667 0.38276279007896 14.007 > 91 99 N 0.92968143667669 0.91666666666667 0.38276279007896 14.007 > 91 100 N 0.26301477001002 0.25000000000000 0.88276279007896 14.007 > 91 101 N 0.59634810334336 0.25000000000000 0.88276279007896 14.007 > 91 102 N 0.92968143667669 0.25000000000000 0.88276279007896 14.007 > 91 103 N 0.26301477001002 0.58333333333333 0.88276279007896 14.007 > 91 104 N 0.59634810334336 0.58333333333333 0.88276279007896 14.007 > 91 105 N 0.92968143667669 0.58333333333333 0.88276279007896 14.007 > 91 106 N 0.26301477001002 0.91666666666667 0.88276279007896 14.007 > 91 107 N 0.59634810334336 0.91666666666667 0.88276279007896 14.007 > 91 108 N 0.92968143667669 0.91666666666667 0.88276279007896 14.007 > 91 109 K 0.23760569284314 0.25000000000000 0.15491060527703 39.098 > 109 110 K 0.57093902617647 0.25000000000000 0.15491060527703 39.098 > 109 111 K 0.90427235950981 0.25000000000000 0.15491060527703 39.098 > 109 112 K 0.23760569284314 0.58333333333333 0.15491060527703 39.098 > 109 113 K 0.57093902617647 0.58333333333333 0.15491060527703 39.098 > 109 114 K 0.90427235950981 0.58333333333333 0.15491060527703 39.098 > 109 115 K 0.23760569284314 0.91666666666667 0.15491060527703 39.098 > 109 116 K 0.57093902617647 0.91666666666667 0.15491060527703 39.098 > 109 117 K 0.90427235950981 0.91666666666667 0.15491060527703 39.098 > 109 118 K 0.23760569284314 0.25000000000000 0.65491060527703 39.098 > 109 119 K 0.57093902617647 0.25000000000000 0.65491060527703 39.098 > 109 120 K 0.90427235950981 0.25000000000000 0.65491060527703 39.098 > 109 121 K 0.23760569284314 0.58333333333333 0.65491060527703 39.098 > 109 122 K 0.57093902617647 0.58333333333333 0.65491060527703 39.098 > 109 123 K 0.90427235950981 0.58333333333333 0.65491060527703 39.098 > 109 124 K 0.23760569284314 0.91666666666667 0.65491060527703 39.098 > 109 125 K 0.57093902617647 0.91666666666667 0.65491060527703 39.098 > 109 126 K 0.90427235950981 0.91666666666667 0.65491060527703 39.098 > 109 127 K 0.09572764049019 0.08333333333333 0.34508939472297 39.098 > 127 128 K 0.42906097382353 0.08333333333333 0.34508939472297 39.098 > 127 129 K 0.76239430715686 0.08333333333333 0.34508939472297 39.098 > 127 130 K 0.09572764049019 0.41666666666667 0.34508939472297 39.098 > 127 131 K 0.42906097382353 0.41666666666667 0.34508939472297 39.098 > 127 132 K 0.76239430715686 0.41666666666667 0.34508939472297 39.098 > 127 133 K 0.09572764049019 0.75000000000000 0.34508939472297 39.098 > 127 134 K 0.42906097382353 0.75000000000000 0.34508939472297 39.098 > 127 135 K 0.76239430715686 0.75000000000000 0.34508939472297 39.098 > 127 136 K 0.09572764049019 0.08333333333333 0.84508939472297 39.098 > 127 137 K 0.42906097382353 0.08333333333333 0.84508939472297 39.098 > 127 138 K 0.76239430715686 0.08333333333333 0.84508939472297 39.098 > 127 139 K 0.09572764049019 0.41666666666667 0.84508939472297 39.098 > 127 140 K 0.42906097382353 0.41666666666667 0.84508939472297 39.098 > 127 141 K 0.76239430715686 0.41666666666667 0.84508939472297 39.098 > 127 142 K 0.09572764049019 0.75000000000000 0.84508939472297 39.098 > 127 143 K 0.42906097382353 0.75000000000000 0.84508939472297 39.098 > 127 144 K 0.76239430715686 0.75000000000000 0.84508939472297 39.098 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2026895 0.0000000 0.0231620 0.0000000 2.5014133 0.0000000 0.0231620 0.0000000 2.7085226 -------------------------- Born effective charges -------------------------- 1 H 0.2749807 0.0000022 0.0219679 -0.0039914 -0.0062241 0.2000908 0.0276233 0.1774084 -0.0454409 2 H 0.2749807 -0.0000022 0.0219679 0.0039914 -0.0062241 -0.2000908 0.0276233 -0.1774084 -0.0454409 3 H 0.2749807 -0.0000022 0.0219679 0.0039914 -0.0062241 -0.2000908 0.0276233 -0.1774084 -0.0454409 4 H 0.2749807 0.0000022 0.0219679 -0.0039914 -0.0062241 0.2000908 0.0276233 0.1774084 -0.0454409 5 N -1.6388918 0.0000000 -0.0237830 0.0000000 -1.0530051 0.0000000 -0.0386959 0.0000000 -1.0541525 6 N -1.6388918 0.0000000 -0.0237830 0.0000000 -1.0530051 0.0000000 -0.0386959 0.0000000 -1.0541525 7 K 1.0889304 0.0000000 -0.0201528 0.0000000 1.0654534 0.0000000 -0.0165507 0.0000000 1.1450342 8 K 1.0889304 0.0000000 -0.0201528 0.0000000 1.0654534 0.0000000 -0.0165507 0.0000000 1.1450342 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) 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 ... [ 11 13 8 ] 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: 0.88, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/315) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 6.942 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 12.253 ( 0.000 0.000 0.000) 0.000 14.817 ( 0.000 0.000 0.000) 0.000 17.493 ( 0.000 0.000 0.000) 0.000 45.497 ( 0.000 0.000 0.000) 0.000 46.105 ( 0.000 0.000 0.000) 0.000 97.588 ( 0.000 0.000 0.000) 0.000 97.685 ( 0.000 0.000 0.000) 0.000 99.907 ( 0.000 0.000 0.000) 0.000 100.011 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/315) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 21.895 0.000 0.539) 21.902 0.593 ( 28.902 0.000 2.911) 29.048 0.946 ( 45.808 0.000 6.343) 46.245 2.417 ( 0.275 0.000 -0.790) 0.836 2.972 ( 13.320 0.000 -1.755) 13.435 3.533 ( 1.758 0.000 0.619) 1.864 4.191 ( 0.674 0.000 -0.680) 0.957 4.204 ( -0.454 0.000 -0.236) 0.511 4.550 ( 2.521 0.000 6.069) 6.572 6.105 ( 8.741 0.000 -48.064) 48.852 6.908 ( -1.531 0.000 -2.861) 3.245 6.956 ( 1.099 0.000 2.139) 2.405 7.804 ( -3.284 0.000 7.109) 7.830 10.335 ( -0.910 0.000 -0.340) 0.971 11.527 ( 1.147 0.000 -0.307) 1.188 12.225 ( -2.781 0.000 -0.385) 2.808 16.486 ( 1.460 0.000 5.111) 5.315 17.495 ( 0.688 0.000 -3.035) 3.112 45.499 ( 0.138 0.000 0.623) 0.638 46.096 ( -2.994 0.000 3.348) 4.492 97.589 ( 0.056 0.000 -0.313) 0.318 97.684 ( -0.117 0.000 -0.248) 0.274 99.908 ( 0.016 0.000 0.032) 0.036 100.011 ( -0.085 0.000 0.032) 0.091 ======================= Grid point 2 (3/315) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 24.256 0.000 -2.651) 24.401 1.151 ( 26.286 0.000 2.472) 26.402 1.833 ( 41.492 0.000 5.017) 41.794 2.419 ( 0.091 0.000 -1.180) 1.183 3.248 ( 13.172 0.000 -3.159) 13.546 3.582 ( 2.860 0.000 0.839) 2.981 4.105 ( -9.485 0.000 1.333) 9.578 4.190 ( -0.767 0.000 -0.462) 0.896 4.776 ( 18.028 0.000 10.660) 20.944 6.159 ( 6.569 0.000 -25.947) 26.766 6.852 ( -2.810 0.000 -6.120) 6.734 6.995 ( 1.996 0.000 3.729) 4.230 7.732 ( -5.851 0.000 5.973) 8.361 10.309 ( -1.556 0.000 -0.511) 1.638 11.558 ( 2.053 0.000 -0.665) 2.158 12.145 ( -4.929 0.000 -0.595) 4.965 16.541 ( 2.923 0.000 2.107) 3.603 17.507 ( 1.750 0.000 -4.791) 5.101 45.506 ( 0.420 0.000 1.173) 1.246 46.025 ( -4.630 0.000 1.146) 4.770 97.590 ( 0.066 0.000 0.073) 0.098 97.679 ( -0.257 0.000 -0.360) 0.442 99.908 ( 0.030 0.000 0.056) 0.063 100.008 ( -0.145 0.000 0.051) 0.154 ======================= Grid point 3 (4/315) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 25.781 0.000 -6.327) 26.546 1.638 ( 21.861 0.000 1.605) 21.920 2.412 ( -0.547 0.000 -0.808) 0.975 2.599 ( 34.193 0.000 2.445) 34.280 3.427 ( 4.152 0.000 -2.514) 4.854 3.643 ( 2.880 0.000 0.559) 2.933 3.876 ( -12.430 0.000 6.704) 14.122 4.172 ( -0.901 0.000 -0.587) 1.075 5.251 ( 24.718 0.000 12.018) 27.485 6.215 ( 5.051 0.000 -18.536) 19.212 6.769 ( -3.155 0.000 -9.868) 10.360 7.051 ( 2.410 0.000 4.240) 4.877 7.601 ( -9.068 0.000 5.951) 10.847 10.274 ( -1.754 0.000 -0.471) 1.816 11.603 ( 2.654 0.000 -1.033) 2.848 12.033 ( -5.963 0.000 -0.479) 5.982 16.603 ( 2.650 0.000 0.754) 2.756 17.541 ( 2.963 0.000 -4.564) 5.442 45.523 ( 0.843 0.000 1.521) 1.739 45.926 ( -5.311 0.000 0.133) 5.312 97.592 ( 0.136 0.000 0.120) 0.181 97.672 ( -0.360 0.000 -0.305) 0.472 99.909 ( 0.036 0.000 0.064) 0.073 100.005 ( -0.162 0.000 0.053) 0.170 ======================= Grid point 4 (5/315) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 25.748 0.000 -8.835) 27.222 2.015 ( 15.586 0.000 0.087) 15.586 2.392 ( -1.426 0.000 0.479) 1.505 3.172 ( 18.520 0.000 1.256) 18.562 3.317 ( -9.887 0.000 -1.444) 9.991 3.693 ( 1.879 0.000 0.075) 1.880 3.764 ( -1.710 0.000 9.961) 10.106 4.153 ( -0.774 0.000 -0.477) 0.909 5.755 ( 21.061 0.000 13.262) 24.889 6.254 ( 3.345 0.000 -13.612) 14.017 6.687 ( -1.427 0.000 -13.542) 13.617 7.108 ( 2.033 0.000 3.364) 3.931 7.408 ( -11.668 0.000 6.034) 13.136 10.241 ( -1.402 0.000 -0.301) 1.434 11.657 ( 3.113 0.000 -1.263) 3.359 11.914 ( -5.763 0.000 0.005) 5.763 16.646 ( 1.533 0.000 -0.026) 1.533 17.594 ( 3.116 0.000 -2.892) 4.251 45.548 ( 1.220 0.000 1.495) 1.929 45.824 ( -4.606 0.000 -0.449) 4.628 97.596 ( 0.157 0.000 0.049) 0.165 97.664 ( -0.331 0.000 -0.161) 0.368 99.910 ( 0.031 0.000 0.051) 0.060 100.003 ( -0.127 0.000 0.038) 0.132 ======================= Grid point 5 (6/315) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 8.314 0.000 -1.779) 8.502 2.314 ( 20.638 0.000 -7.679) 22.020 2.353 ( -3.268 0.000 2.024) 3.844 2.922 ( -18.517 0.000 5.775) 19.397 3.571 ( 13.788 0.000 -6.957) 15.444 3.716 ( 0.572 0.000 -0.085) 0.578 3.744 ( -4.635 0.000 9.422) 10.500 4.141 ( -0.307 0.000 -0.172) 0.352 6.098 ( 8.498 0.000 10.514) 13.519 6.272 ( 1.321 0.000 -7.468) 7.583 6.658 ( 1.774 0.000 -10.359) 10.509 7.143 ( 0.805 0.000 1.282) 1.514 7.208 ( -7.948 0.000 4.183) 8.981 10.220 ( -0.541 0.000 -0.099) 0.550 11.720 ( 3.464 0.000 -1.096) 3.634 11.811 ( -4.479 0.000 0.604) 4.520 16.665 ( 0.464 0.000 -0.124) 0.480 17.636 ( 1.358 0.000 -0.930) 1.646 45.574 ( 0.855 0.000 0.763) 1.146 45.752 ( -2.114 0.000 -0.402) 2.152 97.598 ( 0.072 0.000 0.002) 0.072 97.659 ( -0.137 0.000 -0.040) 0.142 99.911 ( 0.012 0.000 0.020) 0.023 100.001 ( -0.048 0.000 0.014) 0.050 ======================= Grid point 11 (7/315) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 0.000 19.426 0.000) 19.426 0.610 ( 0.000 29.204 0.000) 29.204 0.894 ( 0.000 42.647 0.000) 42.647 2.579 ( 0.000 14.640 0.000) 14.640 2.843 ( 0.000 1.773 0.000) 1.773 3.742 ( 0.000 -0.139 0.000) 0.139 4.140 ( 0.000 -2.657 0.000) 2.657 4.385 ( 0.000 16.476 0.000) 16.476 4.495 ( 0.000 -3.991 0.000) 3.991 6.198 ( 0.000 0.044 0.000) 0.044 6.511 ( 0.000 11.065 0.000) 11.065 6.912 ( 0.000 -1.309 0.000) 1.309 8.323 ( 0.000 8.755 0.000) 8.755 10.503 ( 0.000 14.779 0.000) 14.779 12.146 ( 0.000 10.963 0.000) 10.963 12.402 ( 0.000 14.072 0.000) 14.072 14.795 ( 0.000 -2.049 0.000) 2.049 17.447 ( 0.000 -4.459 0.000) 4.459 45.413 ( 0.000 -8.009 0.000) 8.009 45.958 ( 0.000 -13.980 0.000) 13.980 97.601 ( 0.000 1.231 0.000) 1.231 97.696 ( 0.000 1.033 0.000) 1.033 99.926 ( 0.000 0.234 0.000) 0.234 100.011 ( 0.000 -0.021 0.000) 0.021 ======================= Grid point 12 (8/315) ======================= q-point: ( 0.09 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 14.872 13.189 1.353) 19.924 0.687 ( 16.638 15.302 2.868) 22.786 1.355 ( 32.785 29.461 3.348) 44.204 2.579 ( -0.251 14.157 -0.670) 14.175 2.969 ( 11.283 -0.001 -1.018) 11.328 3.684 ( -1.489 7.256 3.547) 8.212 4.212 ( 2.602 0.707 -1.389) 3.033 4.367 ( -1.623 14.218 -2.216) 14.481 4.527 ( 3.711 -1.357 5.766) 6.990 6.135 ( 4.194 2.446 -35.219) 35.552 6.767 ( 10.069 -5.681 10.483) 15.606 6.891 ( -1.514 -1.418 -3.059) 3.696 8.101 ( -11.758 19.097 2.555) 22.572 10.513 ( -0.080 15.890 0.430) 15.896 11.829 ( -9.119 22.706 -2.962) 24.647 12.388 ( -1.513 15.706 -0.163) 15.780 15.786 ( 41.159 -40.454 7.824) 58.239 17.441 ( -0.016 -4.696 -1.908) 5.069 45.414 ( 0.053 -8.094 0.605) 8.117 45.943 ( -2.182 -14.212 1.693) 14.478 97.602 ( 0.039 1.212 -0.082) 1.215 97.694 ( -0.136 1.014 -0.229) 1.048 99.918 ( -0.390 0.631 -0.006) 0.742 100.010 ( -0.082 -0.020 0.025) 0.088 ======================= Grid point 13 (9/315) ======================= q-point: ( 0.18 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 21.250 5.410 -3.263) 22.169 1.146 ( 24.850 2.030 4.758) 25.382 2.040 ( 33.831 17.363 2.998) 38.144 2.564 ( -0.922 12.849 -0.922) 12.915 3.204 ( 11.219 -3.428 -2.197) 11.935 3.696 ( 0.718 6.972 3.224) 7.714 4.148 ( -8.266 4.793 -1.418) 9.660 4.333 ( -1.152 12.557 -0.289) 12.613 4.756 ( 17.130 -1.366 10.292) 20.031 6.154 ( 5.069 -0.365 -23.981) 24.513 6.825 ( -3.057 -2.619 -5.922) 7.161 6.929 ( 4.810 -4.533 4.191) 7.826 7.934 ( -7.606 18.632 5.565) 20.880 10.498 ( -1.296 17.277 0.075) 17.326 11.763 ( 0.642 18.382 -1.302) 18.439 12.343 ( -2.865 19.045 -0.349) 19.263 16.288 ( 14.497 -21.167 2.738) 25.802 17.444 ( 1.259 -5.525 -3.767) 6.805 45.420 ( 0.297 -8.305 1.099) 8.383 45.881 ( -4.141 -13.570 0.835) 14.212 97.603 ( 0.060 1.209 0.095) 1.214 97.690 ( -0.270 0.986 -0.343) 1.078 99.914 ( -0.098 0.453 0.043) 0.466 100.008 ( -0.141 -0.015 0.054) 0.152 ======================= Grid point 14 (10/315) ======================= q-point: ( 0.27 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 23.725 0.724 -7.065) 24.766 1.635 ( 22.482 0.198 4.123) 22.858 2.537 ( -1.260 11.151 -0.363) 11.227 2.675 ( 28.576 7.007 0.811) 29.433 3.360 ( 3.714 -5.422 -1.401) 6.720 3.696 ( -2.536 0.588 4.368) 5.085 3.958 ( -8.330 10.569 1.400) 13.530 4.307 ( -1.461 12.197 -0.127) 12.285 5.201 ( 22.917 -4.420 11.602) 26.064 6.189 ( 4.080 -2.203 -17.776) 18.370 6.732 ( -3.823 -3.428 -9.985) 11.228 7.016 ( 2.726 -5.168 3.831) 6.987 7.799 ( -7.825 20.766 6.092) 23.012 10.468 ( -1.637 17.855 -0.071) 17.930 11.805 ( 3.445 18.541 -1.016) 18.886 12.275 ( -3.903 22.958 -0.261) 23.289 16.497 ( 7.036 -9.679 1.216) 12.027 17.476 ( 3.106 -5.914 -4.040) 7.807 45.433 ( 0.686 -8.597 1.407) 8.738 45.791 ( -4.865 -12.775 0.063) 13.670 97.605 ( 0.131 1.198 0.116) 1.211 97.682 ( -0.371 0.965 -0.298) 1.076 99.913 ( -0.023 0.323 0.051) 0.328 100.005 ( -0.153 -0.001 0.065) 0.166 ======================= Grid point 15 (11/315) ======================= q-point: ( 0.36 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 22.499 -2.968 -8.925) 24.386 2.044 ( 17.674 1.905 2.051) 17.894 2.506 ( -1.677 9.934 0.989) 10.123 3.165 ( 19.796 -0.767 -1.864) 19.898 3.264 ( -12.774 -3.950 0.825) 13.396 3.654 ( -1.746 -6.282 6.771) 9.401 3.883 ( -0.772 13.505 1.702) 13.634 4.278 ( -1.303 11.407 -0.098) 11.482 5.670 ( 19.801 -7.358 12.547) 24.569 6.215 ( 2.778 -3.426 -13.372) 14.080 6.630 ( -2.936 -5.256 -12.932) 14.265 7.044 ( -1.448 -8.456 4.061) 9.492 7.668 ( -6.250 26.603 5.018) 27.784 10.437 ( -1.319 18.141 -0.091) 18.190 11.885 ( 4.755 21.123 -0.931) 21.672 12.189 ( -4.703 25.735 0.032) 26.161 16.595 ( 2.991 -4.731 0.398) 5.611 17.539 ( 3.795 -5.144 -2.721) 6.947 45.454 ( 1.074 -8.919 1.382) 9.089 45.698 ( -4.257 -12.024 -0.440) 12.763 97.608 ( 0.156 1.190 0.047) 1.201 97.674 ( -0.342 0.946 -0.162) 1.019 99.913 ( -0.004 0.240 0.038) 0.243 100.003 ( -0.115 0.022 0.052) 0.129 ======================= Grid point 16 (12/315) ======================= q-point: ( 0.45 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 10.805 -5.762 -4.297) 12.977 2.337 ( 9.356 3.416 -2.163) 10.192 2.506 ( 4.060 9.017 1.334) 9.979 2.931 ( -16.824 0.683 3.911) 17.286 3.480 ( 11.788 -7.703 -6.018) 15.313 3.623 ( -4.403 -7.968 6.904) 11.426 3.886 ( 0.091 12.769 0.975) 12.807 4.260 ( -0.482 10.844 -0.006) 10.854 6.004 ( 8.984 -8.137 10.113) 15.786 6.224 ( 0.946 -4.512 -7.890) 9.138 6.560 ( -0.706 -8.665 -9.026) 12.532 6.991 ( -3.361 -9.755 2.973) 10.737 7.596 ( -1.898 31.283 1.930) 31.400 10.418 ( -0.502 18.296 -0.039) 18.303 11.983 ( 5.195 24.388 -0.732) 24.946 12.091 ( -5.124 26.037 0.399) 26.540 16.630 ( 0.737 -3.263 0.045) 3.345 17.594 ( 1.734 -4.064 -0.898) 4.509 45.478 ( 0.807 -9.131 0.720) 9.195 45.631 ( -1.992 -11.564 -0.393) 11.740 97.611 ( 0.073 1.191 0.002) 1.193 97.669 ( -0.143 0.928 -0.042) 0.940 99.913 ( -0.000 0.195 0.014) 0.195 100.001 ( -0.043 0.041 0.020) 0.063 ======================= Grid point 22 (13/315) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 21.649 0.000) 21.649 1.196 ( 0.000 27.501 0.000) 27.501 1.744 ( 0.000 39.509 0.000) 39.509 2.896 ( 0.000 3.290 0.000) 3.290 2.949 ( 0.000 19.680 0.000) 19.680 3.740 ( 0.000 0.066 0.000) 0.066 4.060 ( 0.000 -5.194 0.000) 5.194 4.382 ( 0.000 -6.759 0.000) 6.759 4.845 ( 0.000 26.881 0.000) 26.881 6.201 ( 0.000 0.351 0.000) 0.351 6.730 ( 0.000 4.821 0.000) 4.821 6.928 ( 0.000 6.641 0.000) 6.641 8.609 ( 0.000 19.329 0.000) 19.329 10.917 ( 0.000 24.095 0.000) 24.095 12.469 ( 0.000 19.806 0.000) 19.806 12.810 ( 0.000 24.713 0.000) 24.713 14.738 ( 0.000 -3.195 0.000) 3.195 17.311 ( 0.000 -8.698 0.000) 8.698 45.174 ( 0.000 -14.901 0.000) 14.901 45.552 ( 0.000 -24.546 0.000) 24.546 97.638 ( 0.000 2.227 0.000) 2.227 97.726 ( 0.000 1.808 0.000) 1.808 99.933 ( 0.000 0.417 0.000) 0.417 100.010 ( 0.000 -0.070 0.000) 0.070 ======================= Grid point 23 (14/315) ======================= q-point: ( 0.09 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 8.657 18.438 1.656) 20.436 1.142 ( -0.743 25.484 0.971) 25.514 1.999 ( 20.875 31.716 1.591) 38.003 2.934 ( -1.524 17.639 -0.734) 17.720 2.982 ( 7.475 2.580 -0.238) 7.911 3.754 ( 0.494 0.466 5.160) 5.204 4.181 ( 8.954 -3.532 -3.063) 10.101 4.413 ( 3.430 -5.409 1.713) 6.630 4.831 ( -1.236 25.346 0.336) 25.378 6.175 ( 0.305 1.198 -15.665) 15.714 6.760 ( 1.540 -0.607 2.020) 2.612 6.904 ( -2.086 5.530 -0.259) 5.916 8.540 ( -5.260 24.741 2.082) 25.379 10.943 ( 1.560 24.560 1.299) 24.644 12.320 ( -8.086 24.489 -2.728) 25.934 12.853 ( 2.783 28.449 0.363) 28.587 15.197 ( 34.119 -18.663 4.952) 39.204 17.304 ( -0.417 -8.620 -1.077) 8.697 45.173 ( -0.133 -15.001 0.474) 15.009 45.537 ( -1.652 -24.379 0.521) 24.440 97.638 ( 0.008 2.215 0.043) 2.216 97.724 ( -0.174 1.796 -0.199) 1.816 99.930 ( -0.281 0.553 0.010) 0.620 100.010 ( -0.081 -0.071 0.029) 0.112 ======================= Grid point 24 (15/315) ======================= q-point: ( 0.18 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 13.157 13.001 -1.710) 18.576 1.292 ( 14.777 12.067 4.994) 19.721 2.453 ( 22.836 21.332 0.426) 31.253 2.883 ( -3.179 16.075 -0.410) 16.392 3.139 ( 7.335 -1.880 -1.341) 7.690 3.750 ( -3.466 -1.627 5.813) 6.961 4.278 ( 1.243 5.566 -3.683) 6.789 4.559 ( 8.633 2.702 3.790) 9.808 4.834 ( 3.519 14.908 4.100) 15.857 6.148 ( 1.683 -0.130 -18.089) 18.168 6.749 ( -3.024 -4.584 -5.203) 7.565 6.872 ( -0.994 -0.541 3.577) 3.751 8.463 ( -3.239 31.792 4.157) 32.226 10.962 ( -0.077 26.160 1.156) 26.185 12.239 ( 0.476 26.386 -1.247) 26.420 12.906 ( 2.309 34.318 0.067) 34.396 15.826 ( 26.100 -21.241 3.353) 33.818 17.296 ( 0.326 -8.737 -2.266) 9.032 45.173 ( -0.026 -15.314 0.855) 15.338 45.490 ( -3.101 -23.591 0.345) 23.796 97.638 ( 0.041 2.192 0.106) 2.195 97.718 ( -0.310 1.760 -0.304) 1.812 99.925 ( -0.208 0.590 0.027) 0.626 100.007 ( -0.133 -0.067 0.069) 0.164 ======================= Grid point 25 (16/315) ======================= q-point: ( 0.27 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 18.273 5.623 -6.248) 20.113 1.671 ( 20.004 3.772 6.817) 21.467 2.813 ( -3.672 13.826 0.613) 14.319 2.863 ( 17.933 10.618 -1.872) 20.924 3.241 ( 2.742 -5.012 -0.915) 5.786 3.637 ( -8.870 -4.859 6.012) 11.765 4.259 ( -1.403 15.010 -1.406) 15.141 4.625 ( -1.256 17.389 -0.322) 17.437 5.094 ( 17.931 -5.242 9.956) 21.168 6.139 ( 1.906 -2.389 -16.123) 16.411 6.632 ( -6.169 -6.142 -8.421) 12.112 6.863 ( -1.532 -7.843 4.083) 8.973 8.426 ( -1.801 37.997 4.451) 38.299 10.950 ( -1.123 27.286 0.679) 27.318 12.311 ( 6.379 29.311 -0.139) 29.998 12.935 ( 0.336 39.354 -0.051) 39.355 16.244 ( 15.516 -13.697 2.354) 20.830 17.318 ( 2.909 -9.085 -2.973) 9.991 45.178 ( 0.278 -15.786 1.073) 15.824 45.421 ( -3.717 -22.357 -0.058) 22.664 97.640 ( 0.112 2.162 0.098) 2.167 97.710 ( -0.402 1.724 -0.277) 1.792 99.921 ( -0.130 0.508 0.020) 0.525 100.005 ( -0.131 -0.048 0.096) 0.169 ======================= Grid point 26 (17/315) ======================= q-point: ( 0.36 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 18.849 0.892 -8.087) 20.530 2.078 ( 18.498 1.481 5.407) 19.329 2.741 ( -3.890 11.103 1.963) 11.927 3.113 ( 2.730 -3.921 -1.870) 5.130 3.223 ( -0.486 0.311 -1.253) 1.380 3.498 ( -5.036 -7.187 5.815) 10.527 4.235 ( -0.702 18.552 -0.054) 18.566 4.581 ( -2.351 16.903 -0.205) 17.067 5.485 ( 17.231 -10.111 10.420) 22.533 6.129 ( 1.021 -4.647 -13.741) 14.541 6.478 ( -6.628 -9.184 -8.154) 13.956 6.826 ( -3.080 -10.529 3.529) 11.524 8.411 ( -0.846 42.852 3.292) 42.986 10.928 ( -1.080 27.783 0.301) 27.806 12.470 ( 9.110 34.160 0.350) 35.356 12.910 ( -2.970 42.183 -0.163) 42.287 16.463 ( 6.449 -7.678 1.580) 10.151 17.395 ( 5.147 -8.483 -2.390) 10.206 45.190 ( 0.695 -16.316 1.057) 16.365 45.349 ( -3.325 -21.099 -0.389) 21.363 97.643 ( 0.149 2.137 0.039) 2.143 97.702 ( -0.369 1.694 -0.163) 1.742 99.919 ( -0.081 0.413 0.006) 0.421 100.003 ( -0.089 -0.016 0.086) 0.125 ======================= Grid point 27 (18/315) ======================= q-point: ( 0.45 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 10.049 -1.013 -4.548) 11.077 2.404 ( 12.052 2.505 1.155) 12.364 2.673 ( -3.249 5.888 2.361) 7.127 2.936 ( -10.665 -0.782 1.673) 10.824 3.308 ( 3.546 -7.344 -3.145) 8.741 3.457 ( -1.178 -6.146 2.962) 6.923 4.228 ( -0.093 19.165 0.213) 19.166 4.545 ( -0.963 15.626 -0.013) 15.655 5.794 ( 9.819 -11.750 8.792) 17.658 6.089 ( -1.882 -8.788 -10.191) 13.588 6.353 ( -3.343 -9.828 -3.296) 10.892 6.778 ( -1.884 -9.981 1.620) 10.286 8.408 ( -0.190 45.294 1.207) 45.310 10.913 ( -0.420 27.970 0.078) 27.973 12.655 ( 8.941 38.904 0.427) 39.921 12.814 ( -6.512 42.135 -0.313) 42.637 16.537 ( 1.409 -5.528 0.527) 5.729 17.476 ( 2.625 -7.101 -0.848) 7.618 45.209 ( 0.725 -16.630 0.608) 16.656 45.295 ( -1.706 -20.349 -0.375) 20.424 97.645 ( 0.075 2.131 0.002) 2.133 97.696 ( -0.157 1.669 -0.047) 1.677 99.918 ( -0.029 0.353 -0.000) 0.354 100.002 ( -0.030 0.009 0.035) 0.047 ======================= Grid point 33 (19/315) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 23.101 0.000) 23.101 1.737 ( 0.000 24.737 0.000) 24.737 2.508 ( 0.000 34.090 0.000) 34.090 2.974 ( 0.000 4.139 0.000) 4.139 3.339 ( 0.000 17.061 0.000) 17.061 3.752 ( 0.000 1.443 0.000) 1.443 3.925 ( 0.000 -7.971 0.000) 7.971 4.227 ( 0.000 -7.997 0.000) 7.997 5.439 ( 0.000 29.587 0.000) 29.587 6.214 ( 0.000 0.898 0.000) 0.898 6.698 ( 0.000 -4.601 0.000) 4.601 7.142 ( 0.000 10.035 0.000) 10.035 9.122 ( 0.000 29.957 0.000) 29.957 11.430 ( 0.000 23.929 0.000) 23.929 12.936 ( 0.000 24.737 0.000) 24.737 13.382 ( 0.000 29.715 0.000) 29.715 14.679 ( 0.000 -1.982 0.000) 1.982 17.090 ( 0.000 -12.605 0.000) 12.605 44.815 ( 0.000 -19.434 0.000) 19.434 44.988 ( 0.000 -29.032 0.000) 29.032 97.690 ( 0.000 2.792 0.000) 2.792 97.768 ( 0.000 2.122 0.000) 2.122 99.943 ( 0.000 0.523 0.000) 0.523 100.008 ( 0.000 -0.157 0.000) 0.157 ======================= Grid point 34 (20/315) ======================= q-point: ( 0.09 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 4.018 21.007 0.898) 21.407 1.667 ( -5.360 24.614 0.542) 25.197 2.631 ( 11.152 29.010 0.756) 31.089 3.008 ( 2.589 1.881 -0.259) 3.211 3.323 ( -1.641 16.988 0.078) 17.067 3.729 ( -2.064 -2.540 4.448) 5.522 4.088 ( 13.235 -4.896 -4.122) 14.702 4.283 ( 6.162 -6.794 2.007) 9.389 5.394 ( -4.352 28.080 -0.382) 28.418 6.193 ( -0.884 0.772 -7.512) 7.603 6.688 ( -0.969 -5.092 -1.223) 5.326 7.071 ( -6.986 7.906 0.556) 10.565 9.141 ( 1.916 33.237 1.520) 33.327 11.464 ( 2.555 24.359 1.711) 24.553 12.843 ( -5.099 26.255 -1.088) 26.768 13.512 ( 9.540 34.211 0.829) 35.526 14.924 ( 22.045 -9.094 2.734) 24.003 17.089 ( -0.098 -12.178 -0.311) 12.182 44.812 ( -0.317 -19.538 0.244) 19.542 44.978 ( -1.011 -28.700 0.139) 28.718 97.690 ( -0.015 2.779 0.045) 2.779 97.765 ( -0.200 2.117 -0.162) 2.132 99.941 ( -0.175 0.569 0.015) 0.595 100.007 ( -0.086 -0.161 0.040) 0.187 ======================= Grid point 35 (21/315) ======================= q-point: ( 0.18 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 7.772 16.577 0.150) 18.309 1.619 ( 2.156 18.629 3.105) 19.009 2.887 ( 12.931 20.152 -0.970) 23.964 3.033 ( -0.639 -0.891 0.014) 1.097 3.285 ( -1.874 14.325 -0.149) 14.448 3.669 ( -5.712 -5.226 3.832) 8.638 4.326 ( 10.522 -0.697 -3.334) 11.060 4.508 ( 15.267 -4.532 5.512) 16.853 5.276 ( -6.946 24.155 -0.696) 25.143 6.147 ( -0.830 0.046 -11.861) 11.890 6.641 ( -3.591 -5.803 -4.084) 7.953 6.894 ( -10.195 1.983 2.634) 10.715 9.205 ( 3.702 39.193 2.515) 39.448 11.512 ( 1.329 25.660 1.969) 25.770 12.818 ( 3.302 29.266 0.318) 29.454 13.695 ( 8.139 40.643 0.381) 41.451 15.452 ( 27.723 -14.968 3.489) 31.698 17.089 ( 0.456 -11.224 -0.956) 11.274 44.805 ( -0.404 -19.866 0.431) 19.875 44.949 ( -1.837 -27.707 0.095) 27.768 97.690 ( 0.007 2.743 0.073) 2.744 97.759 ( -0.352 2.098 -0.254) 2.142 99.937 ( -0.222 0.608 0.009) 0.647 100.005 ( -0.129 -0.164 0.091) 0.228 ======================= Grid point 36 (22/315) ======================= q-point: ( 0.27 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 11.063 11.910 -3.381) 16.603 1.797 ( 13.199 8.389 6.187) 16.819 2.974 ( -4.234 -0.294 0.485) 4.272 3.093 ( 5.753 10.199 -0.329) 11.715 3.255 ( -0.820 8.185 -0.858) 8.271 3.534 ( -7.688 -3.981 2.190) 8.931 4.476 ( 5.618 5.233 -1.478) 7.818 4.867 ( 17.220 -1.138 5.441) 18.095 5.133 ( -6.368 15.824 0.276) 17.059 6.099 ( -0.666 -1.407 -13.476) 13.566 6.497 ( -9.543 -6.313 -4.725) 12.380 6.732 ( -6.357 -4.817 3.604) 8.752 9.287 ( 3.535 43.964 2.529) 44.178 11.524 ( -0.413 26.788 1.376) 26.826 12.970 ( 11.094 33.674 1.686) 35.494 13.821 ( 4.102 44.766 0.018) 44.954 15.967 ( 21.704 -12.704 3.731) 25.423 17.114 ( 2.954 -10.400 -1.921) 10.981 44.800 ( -0.242 -20.414 0.509) 20.422 44.908 ( -2.194 -26.226 -0.043) 26.317 97.691 ( 0.073 2.690 0.060) 2.692 97.750 ( -0.434 2.078 -0.244) 2.137 99.933 ( -0.207 0.575 -0.015) 0.612 100.003 ( -0.112 -0.157 0.131) 0.233 ======================= Grid point 37 (23/315) ======================= q-point: ( 0.36 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 14.772 6.505 -5.623) 17.092 2.115 ( 15.990 2.435 6.340) 17.372 2.866 ( -6.921 -0.671 1.617) 7.139 3.060 ( -8.745 -1.742 4.217) 9.864 3.260 ( 0.776 4.657 -2.360) 5.278 3.432 ( -1.864 1.633 -1.924) 3.137 4.559 ( 3.290 10.886 -0.035) 11.372 4.950 ( -5.732 18.456 -1.763) 19.406 5.268 ( 15.020 -10.436 7.349) 19.711 6.030 ( -3.446 -4.737 -13.678) 14.880 6.294 ( -8.259 -7.205 -0.617) 10.978 6.645 ( -3.509 -7.109 1.547) 8.078 9.352 ( 2.351 46.892 1.817) 46.986 11.513 ( -0.853 27.281 0.734) 27.304 13.236 ( 14.286 38.795 2.093) 41.394 13.846 ( -1.694 46.795 -0.411) 46.827 16.294 ( 10.127 -8.349 3.241) 13.518 17.205 ( 6.354 -9.649 -2.144) 11.750 44.800 ( 0.138 -21.174 0.471) 21.180 44.866 ( -1.995 -24.577 -0.164) 24.658 97.693 ( 0.123 2.640 0.022) 2.643 97.741 ( -0.394 2.064 -0.158) 2.107 99.929 ( -0.155 0.511 -0.028) 0.535 100.002 ( -0.064 -0.139 0.119) 0.194 ======================= Grid point 38 (24/315) ======================= q-point: ( 0.45 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 9.471 4.333 -3.899) 11.121 2.430 ( 13.254 -0.029 3.659) 13.750 2.705 ( -9.310 -2.276 0.030) 9.584 2.873 ( -8.148 -5.326 3.680) 10.407 3.258 ( -0.111 3.363 -1.038) 3.521 3.418 ( 0.114 1.982 -1.825) 2.697 4.611 ( 1.739 16.066 0.339) 16.164 4.849 ( -3.113 12.432 -0.746) 12.838 5.548 ( 10.029 -10.989 5.888) 16.000 5.878 ( -7.095 -9.967 -8.484) 14.888 6.202 ( -1.645 -4.749 0.051) 5.026 6.598 ( -1.354 -7.396 0.406) 7.530 9.388 ( 0.833 48.241 0.659) 48.253 11.501 ( -0.380 27.404 0.226) 27.408 13.513 ( 12.076 42.691 1.604) 44.395 13.751 ( -7.237 47.096 -0.920) 47.658 16.413 ( 2.210 -6.258 1.230) 6.750 17.312 ( 3.557 -8.573 -0.855) 9.321 44.809 ( 0.703 -22.277 0.362) 22.291 44.831 ( -1.394 -22.938 -0.256) 22.982 97.695 ( 0.071 2.616 0.001) 2.617 97.735 ( -0.171 2.052 -0.051) 2.059 99.927 ( -0.059 0.464 -0.014) 0.468 100.001 ( -0.019 -0.124 0.048) 0.134 ======================= Grid point 44 (25/315) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.000 23.348 0.000) 23.348 2.210 ( 0.000 21.095 0.000) 21.095 3.020 ( 0.000 5.863 0.000) 5.863 3.170 ( 0.000 23.820 0.000) 23.820 3.596 ( 0.000 6.701 0.000) 6.701 3.728 ( 0.000 -11.045 0.000) 11.045 3.836 ( 0.000 7.611 0.000) 7.611 4.065 ( 0.000 -7.400 0.000) 7.400 6.020 ( 0.000 25.117 0.000) 25.117 6.246 ( 0.000 3.240 0.000) 3.240 6.587 ( 0.000 -5.837 0.000) 5.837 7.288 ( 0.000 3.882 0.000) 3.882 9.808 ( 0.000 35.472 0.000) 35.472 11.829 ( 0.000 13.169 0.000) 13.169 13.455 ( 0.000 24.816 0.000) 24.816 13.980 ( 0.000 26.382 0.000) 26.382 14.694 ( 0.000 4.936 0.000) 4.936 16.793 ( 0.000 -16.231 0.000) 16.231 44.398 ( 0.000 -20.283 0.000) 20.283 44.405 ( 0.000 -26.272 0.000) 26.272 97.749 ( 0.000 2.805 0.000) 2.805 97.810 ( 0.000 1.872 0.000) 1.872 99.954 ( 0.000 0.563 0.000) 0.563 100.004 ( 0.000 -0.272 0.000) 0.272 ======================= Grid point 45 (26/315) ======================= q-point: ( 0.09 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.490 21.715 0.319) 21.723 2.141 ( -6.305 21.182 0.491) 22.106 3.033 ( 0.099 1.758 0.394) 1.804 3.181 ( 2.265 22.157 -0.040) 22.273 3.530 ( -4.851 -1.797 5.903) 7.849 3.724 ( -1.242 6.022 -4.642) 7.704 4.011 ( 14.100 -1.686 -2.321) 14.388 4.146 ( 8.577 -6.036 1.548) 10.602 5.951 ( -6.677 25.026 -1.182) 25.928 6.215 ( -2.094 1.726 -4.825) 5.536 6.571 ( -1.544 -5.972 -0.620) 6.200 7.185 ( -10.052 2.869 0.657) 10.474 9.877 ( 6.376 37.180 1.158) 37.741 11.876 ( 3.797 14.037 1.907) 14.666 13.389 ( -2.979 26.120 0.632) 26.297 14.204 ( 17.430 30.844 1.267) 35.451 14.810 ( 12.016 -1.146 1.573) 12.173 16.805 ( 1.154 -15.264 0.328) 15.311 44.386 ( -0.787 -22.458 -0.503) 22.477 44.409 ( 0.026 -23.838 0.518) 23.843 97.748 ( -0.042 2.788 0.014) 2.788 97.807 ( -0.209 1.875 -0.124) 1.891 99.953 ( -0.130 0.578 0.011) 0.593 100.003 ( -0.096 -0.277 0.046) 0.296 ======================= Grid point 46 (27/315) ======================= q-point: ( 0.18 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 3.416 17.745 0.173) 18.072 2.017 ( -5.018 19.127 2.256) 19.902 2.999 ( -3.375 -2.012 -0.232) 3.936 3.247 ( 1.757 11.781 2.620) 12.196 3.454 ( -3.245 0.072 1.780) 3.702 3.659 ( -3.837 7.828 -3.892) 9.547 4.281 ( 12.948 -2.746 -2.324) 13.438 4.410 ( 16.151 -4.731 3.084) 17.110 5.767 ( -10.784 22.631 -2.352) 25.179 6.151 ( -2.277 0.397 -8.285) 8.602 6.516 ( -3.926 -6.022 -1.754) 7.399 6.925 ( -15.330 0.442 2.320) 15.511 10.035 ( 8.261 40.318 1.580) 41.186 11.955 ( 2.881 15.886 2.435) 16.328 13.425 ( 6.856 29.063 2.348) 29.953 14.524 ( 12.819 38.606 0.570) 40.683 15.197 ( 25.195 -10.258 3.757) 27.461 16.839 ( 2.181 -12.903 0.067) 13.087 44.368 ( -0.903 -22.804 -0.477) 22.827 44.407 ( -0.356 -22.788 0.470) 22.795 97.748 ( -0.043 2.738 0.019) 2.739 97.801 ( -0.365 1.885 -0.200) 1.930 99.950 ( -0.215 0.596 -0.005) 0.634 100.000 ( -0.137 -0.289 0.103) 0.336 ======================= Grid point 47 (28/315) ======================= q-point: ( 0.27 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 6.201 14.426 -1.077) 15.739 2.009 ( 4.317 11.863 4.116) 13.278 2.910 ( -5.410 -4.172 0.205) 6.835 3.185 ( -8.905 -3.349 7.410) 12.059 3.439 ( 0.764 8.925 -3.954) 9.792 3.573 ( -2.948 7.952 -4.398) 9.553 4.497 ( 9.427 -1.966 -2.126) 9.862 4.756 ( 16.564 -6.894 4.409) 18.476 5.534 ( -11.308 19.502 -3.223) 22.773 6.080 ( -2.643 -0.483 -10.589) 10.925 6.385 ( -9.358 -4.529 -0.931) 10.438 6.656 ( -10.737 -2.847 3.475) 11.638 10.189 ( 6.477 42.532 1.363) 43.044 11.993 ( 0.450 17.377 1.890) 17.485 13.665 ( 15.622 32.935 3.689) 36.639 14.712 ( 6.319 40.184 -0.070) 40.678 15.731 ( 24.787 -10.001 5.167) 27.223 16.897 ( 4.167 -10.493 -1.076) 11.342 44.349 ( -0.802 -22.746 -0.422) 22.764 44.399 ( -0.545 -21.909 0.381) 21.919 97.747 ( 0.007 2.663 0.011) 2.663 97.792 ( -0.437 1.903 -0.203) 1.963 99.945 ( -0.244 0.588 -0.036) 0.638 99.998 ( -0.113 -0.303 0.144) 0.354 ======================= Grid point 48 (29/315) ======================= q-point: ( 0.36 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 9.655 10.111 -2.499) 14.201 2.187 ( 10.848 4.622 4.555) 12.641 2.787 ( -7.156 -5.164 0.471) 8.837 2.984 ( -12.439 -5.176 6.940) 15.155 3.417 ( -1.623 8.733 -2.443) 9.213 3.528 ( -0.741 6.433 -5.729) 8.646 4.656 ( 7.501 -0.544 -0.878) 7.572 5.028 ( 6.684 -10.568 3.301) 12.933 5.348 ( -3.725 17.028 -2.308) 17.583 5.954 ( -7.996 -2.285 -9.948) 12.967 6.205 ( -6.360 -1.607 2.323) 6.959 6.523 ( -4.351 -4.948 1.207) 6.699 10.295 ( 3.875 43.577 0.902) 43.758 11.993 ( -0.583 18.113 1.124) 18.157 14.023 ( 18.245 36.543 3.677) 41.010 14.771 ( -0.441 41.463 -0.648) 41.471 16.130 ( 13.055 -7.344 4.957) 15.777 17.008 ( 7.209 -9.271 -1.979) 11.910 44.335 ( -0.542 -22.558 -0.311) 22.566 44.389 ( -0.473 -21.225 0.261) 21.232 97.748 ( 0.068 2.582 -0.002) 2.583 97.784 ( -0.390 1.931 -0.143) 1.975 99.940 ( -0.198 0.565 -0.046) 0.600 99.997 ( -0.061 -0.315 0.129) 0.346 ======================= Grid point 49 (30/315) ======================= q-point: ( 0.45 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 8.762 6.796 -2.875) 11.455 2.416 ( 10.118 -0.597 3.917) 10.866 2.623 ( -9.043 -4.919 -0.908) 10.335 2.772 ( -8.535 -3.519 3.809) 9.987 3.388 ( -0.611 7.689 -0.693) 7.745 3.499 ( -0.680 5.094 -2.927) 5.914 4.802 ( 7.177 1.315 0.194) 7.299 4.979 ( -7.234 -2.004 -0.334) 7.514 5.432 ( 7.134 2.367 1.369) 7.640 5.753 ( -8.087 -1.578 -4.064) 9.187 6.147 ( -1.027 -0.716 0.445) 1.329 6.469 ( -1.382 -5.261 0.191) 5.443 10.348 ( 1.300 43.951 0.319) 43.971 11.985 ( -0.343 18.361 0.374) 18.368 14.357 ( 12.729 38.040 2.269) 40.177 14.696 ( -5.897 43.215 -1.102) 43.630 16.289 ( 3.039 -5.560 1.981) 6.639 17.131 ( 4.096 -8.897 -0.901) 9.836 44.327 ( -0.190 -22.403 -0.117) 22.404 44.383 ( -0.186 -20.857 0.095) 20.858 97.749 ( 0.052 2.530 -0.003) 2.531 97.777 ( -0.171 1.951 -0.050) 1.959 99.937 ( -0.077 0.547 -0.021) 0.553 99.996 ( -0.017 -0.323 0.052) 0.328 ======================= Grid point 55 (31/315) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.000 22.259 0.000) 22.259 2.602 ( 0.000 16.810 0.000) 16.810 3.062 ( 0.000 -0.516 0.000) 0.516 3.444 ( 0.000 -12.014 0.000) 12.014 3.627 ( 0.000 12.983 0.000) 12.983 3.663 ( 0.000 1.483 0.000) 1.483 3.945 ( 0.000 -2.839 0.000) 2.839 4.008 ( 0.000 7.069 0.000) 7.069 6.242 ( 0.000 2.383 0.000) 2.383 6.467 ( 0.000 -5.594 0.000) 5.594 6.562 ( 0.000 21.130 0.000) 21.130 7.303 ( 0.000 -2.381 0.000) 2.381 10.540 ( 0.000 34.668 0.000) 34.668 11.931 ( 0.000 -3.542 0.000) 3.542 13.927 ( 0.000 20.196 0.000) 20.196 14.358 ( 0.000 9.084 0.000) 9.084 14.966 ( 0.000 21.579 0.000) 21.579 16.422 ( 0.000 -19.739 0.000) 19.739 43.948 ( 0.000 -17.166 0.000) 17.166 44.011 ( 0.000 -16.393 0.000) 16.393 97.802 ( 0.000 2.255 0.000) 2.255 97.841 ( 0.000 1.091 0.000) 1.091 99.966 ( 0.000 0.562 0.000) 0.562 99.997 ( 0.000 -0.388 0.000) 0.388 ======================= Grid point 56 (32/315) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -2.445 20.796 -0.055) 20.940 2.534 ( -6.472 16.869 0.761) 18.084 3.032 ( -3.167 -2.052 -0.296) 3.785 3.345 ( -8.715 -10.872 7.420) 15.786 3.569 ( 1.576 12.028 -3.109) 12.523 3.828 ( 5.007 1.507 -7.326) 9.000 4.020 ( 8.521 1.004 1.436) 8.700 4.083 ( 8.561 1.847 0.497) 8.772 6.222 ( -1.512 2.303 -3.624) 4.552 6.423 ( -5.031 5.030 -15.798) 17.326 6.480 ( -6.706 9.449 13.948) 18.134 7.185 ( -11.360 -2.811 0.883) 11.735 10.634 ( 8.406 35.317 1.238) 36.325 12.000 ( 5.791 -2.401 1.962) 6.569 13.895 ( -0.407 22.377 1.975) 22.468 14.572 ( 18.317 2.780 2.348) 18.675 15.042 ( 7.380 24.530 0.372) 25.619 16.461 ( 3.638 -18.148 0.654) 18.520 43.946 ( -0.152 -16.969 -0.297) 16.973 44.010 ( -0.100 -16.392 0.076) 16.392 97.801 ( -0.077 2.234 -0.018) 2.235 97.839 ( -0.196 1.105 -0.091) 1.126 99.965 ( -0.116 0.565 0.010) 0.577 99.996 ( -0.105 -0.392 0.042) 0.408 ======================= Grid point 57 (33/315) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -0.786 17.415 -0.427) 17.438 2.385 ( -7.914 16.182 2.254) 18.154 2.939 ( -5.665 -4.153 -0.451) 7.038 3.193 ( -8.836 -10.253 7.923) 15.683 3.610 ( 2.774 10.277 -5.422) 11.946 3.814 ( -2.786 4.892 -4.311) 7.091 4.242 ( 11.760 -0.625 -1.420) 11.862 4.327 ( 14.375 -2.997 0.738) 14.702 6.166 ( -2.878 1.169 -6.698) 7.383 6.179 ( -13.403 15.538 -8.269) 22.124 6.412 ( -4.371 -2.479 5.239) 7.259 6.898 ( -16.760 -3.299 2.529) 17.267 10.832 ( 9.994 36.238 1.471) 37.620 12.125 ( 5.163 0.049 2.553) 5.760 13.994 ( 10.013 25.531 4.055) 27.722 15.005 ( 21.792 -9.011 4.439) 23.996 15.253 ( 14.256 31.585 0.515) 34.657 16.558 ( 5.696 -14.381 0.605) 15.480 43.942 ( -0.204 -16.483 -0.462) 16.491 44.008 ( -0.199 -16.347 0.082) 16.349 97.799 ( -0.111 2.172 -0.031) 2.175 97.833 ( -0.338 1.144 -0.150) 1.202 99.962 ( -0.208 0.573 -0.004) 0.610 99.993 ( -0.156 -0.408 0.090) 0.446 ======================= Grid point 58 (34/315) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.675 13.680 -0.567) 14.176 2.271 ( -3.568 12.998 3.030) 13.815 2.816 ( -6.567 -5.128 -0.129) 8.333 3.031 ( -9.602 -9.835 7.156) 15.496 3.624 ( -0.156 8.175 -5.660) 9.944 3.733 ( -3.660 6.033 -3.980) 8.101 4.446 ( 9.189 -2.019 -2.353) 9.698 4.612 ( 13.077 -6.682 1.304) 14.743 5.882 ( -13.379 13.258 -5.598) 19.649 6.078 ( -4.494 0.344 -9.132) 10.184 6.319 ( -6.305 -1.213 3.881) 7.503 6.597 ( -12.720 -3.306 3.635) 13.636 11.008 ( 7.095 36.305 1.077) 37.007 12.201 ( 1.897 2.215 2.072) 3.578 14.301 ( 18.644 28.242 5.292) 34.252 15.335 ( 10.575 8.733 1.780) 13.830 15.645 ( 22.140 12.027 4.342) 25.567 16.681 ( 6.626 -10.699 -0.496) 12.594 43.937 ( -0.160 -15.911 -0.466) 15.919 44.003 ( -0.251 -16.224 0.043) 16.226 97.797 ( -0.085 2.077 -0.037) 2.079 97.825 ( -0.394 1.205 -0.158) 1.278 99.957 ( -0.247 0.586 -0.029) 0.636 99.991 ( -0.139 -0.441 0.123) 0.478 ======================= Grid point 59 (35/315) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 2.761 9.953 1.268) 10.406 2.308 ( 6.798 7.315 0.833) 10.020 2.678 ( -7.458 -5.336 0.470) 9.182 2.860 ( -9.025 -6.875 5.149) 12.459 3.581 ( -2.237 6.922 -3.488) 8.068 3.657 ( -2.835 5.272 -4.511) 7.495 4.600 ( 7.170 -3.303 -1.540) 8.043 4.812 ( 5.830 -9.808 0.728) 11.433 5.652 ( -7.670 11.761 -3.226) 14.407 5.924 ( -8.334 -1.089 -6.566) 10.665 6.214 ( -4.243 2.140 3.205) 5.732 6.436 ( -5.027 -3.669 1.644) 6.437 11.119 ( 3.914 35.786 0.637) 36.005 12.222 ( 0.101 3.555 1.305) 3.788 14.710 ( 19.780 29.590 4.814) 35.916 15.474 ( 3.259 22.662 -0.238) 22.897 16.028 ( 13.543 0.540 5.479) 14.619 16.819 ( 7.454 -9.359 -1.666) 12.080 43.933 ( -0.085 -15.428 -0.339) 15.432 43.999 ( -0.212 -16.067 0.010) 16.068 97.796 ( -0.019 1.970 -0.029) 1.970 97.817 ( -0.340 1.280 -0.118) 1.330 99.952 ( -0.203 0.602 -0.036) 0.636 99.989 ( -0.085 -0.483 0.107) 0.502 ======================= Grid point 60 (36/315) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 6.540 3.380 -0.417) 7.374 2.444 ( 3.861 4.064 2.206) 6.025 2.528 ( -6.137 -3.897 -0.760) 7.310 2.716 ( -5.708 -2.501 2.066) 6.566 3.539 ( -1.044 6.501 -1.090) 6.674 3.602 ( -1.348 4.426 -2.189) 5.119 4.731 ( 6.297 -5.588 -0.353) 8.426 4.833 ( -3.149 -8.898 -0.052) 9.439 5.575 ( -0.342 8.126 -0.775) 8.170 5.764 ( -5.153 1.071 -1.973) 5.621 6.171 ( -1.039 2.793 0.828) 3.093 6.378 ( -1.392 -3.662 0.339) 3.933 11.171 ( 1.260 35.347 0.215) 35.370 12.222 ( -0.147 4.185 0.450) 4.212 15.048 ( 11.079 28.516 2.488) 30.694 15.471 ( -2.240 29.730 -0.889) 29.827 16.202 ( 3.530 -1.537 2.385) 4.529 16.939 ( 3.861 -10.057 -0.874) 10.808 43.931 ( -0.024 -15.156 -0.123) 15.157 43.995 ( -0.083 -15.956 -0.000) 15.957 97.796 ( 0.015 1.890 -0.010) 1.890 97.812 ( -0.148 1.340 -0.044) 1.349 99.949 ( -0.079 0.614 -0.016) 0.619 99.988 ( -0.027 -0.514 0.042) 0.516 ======================= Grid point 66 (37/315) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 0.000 19.347 0.000) 19.347 2.903 ( 0.000 12.487 0.000) 12.487 2.973 ( 0.000 -9.488 0.000) 9.488 3.154 ( 0.000 -13.584 0.000) 13.584 3.691 ( 0.000 1.533 0.000) 1.533 3.728 ( 0.000 -1.446 0.000) 1.446 4.016 ( 0.000 6.599 0.000) 6.599 4.088 ( 0.000 0.281 0.000) 0.281 6.291 ( 0.000 2.767 0.000) 2.767 6.363 ( 0.000 -4.301 0.000) 4.301 6.941 ( 0.000 15.303 0.000) 15.303 7.189 ( 0.000 -8.730 0.000) 8.730 11.202 ( 0.000 28.792 0.000) 28.792 11.697 ( 0.000 -18.451 0.000) 18.451 14.264 ( 0.000 12.067 0.000) 12.067 14.415 ( 0.000 -2.524 0.000) 2.524 15.474 ( 0.000 25.549 0.000) 25.549 15.979 ( 0.000 -23.132 0.000) 23.132 43.721 ( 0.000 -4.605 0.000) 4.605 43.756 ( 0.000 -7.617 0.000) 7.617 97.839 ( 0.000 1.257 0.000) 1.257 97.852 ( 0.000 -0.044 0.000) 0.044 99.977 ( 0.000 0.534 0.000) 0.534 99.988 ( 0.000 -0.479 0.000) 0.479 ======================= Grid point 67 (38/315) ======================= q-point: ( 0.09 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -5.080 17.832 -0.597) 18.551 2.821 ( -7.395 7.787 -0.036) 10.739 2.932 ( -4.143 -5.355 1.124) 6.863 3.095 ( -5.978 -11.849 5.363) 14.314 3.725 ( 3.495 4.294 -3.503) 6.552 3.798 ( 5.303 -3.167 -4.562) 7.678 4.085 ( 6.643 4.270 -0.040) 7.897 4.130 ( 4.729 0.512 0.148) 4.759 6.268 ( -1.820 2.709 -3.318) 4.654 6.340 ( -1.921 -4.271 -3.710) 5.975 6.824 ( -11.175 14.827 1.925) 18.667 7.067 ( -11.665 -8.729 1.180) 14.617 11.301 ( 8.726 28.671 1.547) 30.009 11.786 ( 7.738 -17.684 1.834) 19.390 14.288 ( 3.526 15.266 2.608) 15.884 14.516 ( 9.294 -6.911 2.586) 11.867 15.576 ( 9.611 25.074 0.437) 26.857 16.055 ( 7.048 -21.343 0.623) 22.485 43.721 ( 0.046 -4.574 -0.225) 4.580 43.756 ( 0.001 -7.575 -0.115) 7.576 97.837 ( -0.120 1.234 -0.043) 1.241 97.850 ( -0.163 -0.023 -0.065) 0.177 99.976 ( -0.113 0.535 0.017) 0.547 99.987 ( -0.111 -0.480 0.030) 0.494 ======================= Grid point 68 (39/315) ======================= q-point: ( 0.18 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -4.331 14.850 -1.211) 15.516 2.655 ( -8.477 6.745 1.031) 10.882 2.827 ( -6.428 -3.950 1.418) 7.677 2.965 ( -8.467 -10.982 6.577) 15.348 3.772 ( 1.753 5.438 -5.135) 7.682 3.844 ( 0.284 -1.485 -4.736) 4.972 4.255 ( 9.779 1.495 -1.192) 9.964 4.286 ( 10.381 -1.397 -0.686) 10.497 6.199 ( -3.992 2.230 -6.303) 7.787 6.257 ( -5.366 -2.947 -8.565) 10.528 6.567 ( -13.840 12.400 5.974) 19.519 6.782 ( -16.164 -8.037 3.264) 18.344 11.501 ( 9.604 27.976 1.849) 29.637 11.958 ( 7.755 -15.752 2.311) 17.709 14.460 ( 13.066 19.381 4.983) 23.900 14.789 ( 16.886 -12.722 4.995) 21.724 15.819 ( 13.693 23.460 0.577) 27.170 16.235 ( 10.196 -17.387 0.670) 20.167 43.722 ( 0.097 -4.505 -0.369) 4.521 43.755 ( -0.001 -7.448 -0.205) 7.451 97.834 ( -0.194 1.167 -0.072) 1.185 97.846 ( -0.276 0.037 -0.108) 0.299 99.973 ( -0.196 0.544 0.020) 0.579 99.984 ( -0.178 -0.495 0.057) 0.529 ======================= Grid point 69 (40/315) ======================= q-point: ( 0.27 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -0.321 11.098 -1.630) 11.222 2.515 ( -5.732 8.838 2.467) 10.819 2.699 ( -6.530 -4.723 0.831) 8.102 2.811 ( -8.207 -10.874 6.143) 14.944 3.757 ( -1.717 4.442 -5.160) 7.021 3.800 ( -2.890 0.429 -4.409) 5.289 4.436 ( 8.399 1.208 -2.028) 8.724 4.495 ( 9.849 -4.445 -0.913) 10.844 6.046 ( -10.495 3.443 -7.268) 13.222 6.083 ( -8.026 -0.522 -8.627) 11.795 6.372 ( -7.416 6.122 6.410) 11.557 6.506 ( -11.446 -5.745 4.474) 13.565 11.662 ( 5.986 26.567 1.384) 27.268 12.081 ( 3.965 -13.546 1.845) 14.234 14.814 ( 19.973 21.381 6.143) 29.897 15.181 ( 19.816 -14.194 5.901) 25.079 16.085 ( 12.096 20.742 0.634) 24.020 16.436 ( 9.476 -13.763 -0.036) 16.710 43.723 ( 0.133 -4.443 -0.390) 4.462 43.755 ( -0.002 -7.254 -0.238) 7.258 97.830 ( -0.196 1.064 -0.078) 1.085 97.840 ( -0.307 0.129 -0.117) 0.353 99.969 ( -0.222 0.575 0.011) 0.616 99.980 ( -0.181 -0.534 0.071) 0.568 ======================= Grid point 70 (41/315) ======================= q-point: ( 0.36 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -2.712 6.820 1.751) 7.545 2.487 ( 2.694 7.301 -0.609) 7.806 2.572 ( -6.549 -3.386 1.902) 7.614 2.700 ( -3.955 -8.532 2.943) 9.854 3.693 ( -2.877 3.663 -3.661) 5.925 3.723 ( -3.348 0.902 -3.725) 5.089 4.568 ( 5.388 0.826 -1.549) 5.667 4.642 ( 4.841 -6.240 -0.894) 7.949 5.825 ( -8.626 5.357 -3.782) 10.836 5.895 ( -8.287 -2.006 -4.700) 9.736 6.281 ( -3.516 3.958 3.074) 6.121 6.362 ( -4.620 -3.708 2.306) 6.357 11.750 ( 2.866 25.072 0.841) 25.249 12.135 ( 1.371 -11.802 1.171) 11.939 15.229 ( 18.682 20.566 5.315) 28.288 15.551 ( 14.723 -9.916 4.432) 18.296 16.278 ( 6.712 17.923 0.800) 19.155 16.599 ( 6.850 -12.737 -0.919) 14.491 43.725 ( 0.119 -4.410 -0.291) 4.422 43.754 ( -0.002 -7.052 -0.190) 7.054 97.826 ( -0.132 0.944 -0.058) 0.955 97.834 ( -0.247 0.239 -0.089) 0.355 99.965 ( -0.175 0.620 0.003) 0.644 99.977 ( -0.129 -0.589 0.058) 0.606 ======================= Grid point 71 (42/315) ======================= q-point: ( 0.45 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.572 2.255 0.962) 2.517 2.451 ( -4.557 -2.901 0.797) 5.460 2.560 ( 2.788 5.259 -0.140) 5.954 2.654 ( -1.622 -3.717 0.646) 4.107 3.642 ( -1.247 3.202 -1.283) 3.668 3.664 ( -1.522 1.150 -1.514) 2.436 4.646 ( 2.928 -1.620 -0.475) 3.380 4.682 ( -0.308 -5.004 -0.496) 5.038 5.708 ( -2.594 4.500 -1.047) 5.299 5.765 ( -3.459 -1.235 -1.344) 3.911 6.242 ( -1.044 3.637 0.832) 3.874 6.311 ( -1.249 -3.097 0.580) 3.390 11.788 ( 0.846 24.149 0.289) 24.165 12.152 ( 0.293 -10.840 0.409) 10.852 15.524 ( 8.404 17.551 2.371) 19.603 15.754 ( 4.713 -2.876 1.343) 5.682 16.357 ( 1.551 16.472 0.445) 16.551 16.694 ( 2.681 -14.254 -0.607) 14.516 43.726 ( 0.048 -4.401 -0.107) 4.403 43.754 ( -0.001 -6.921 -0.072) 6.921 97.824 ( -0.040 0.849 -0.021) 0.850 97.830 ( -0.100 0.328 -0.034) 0.344 99.962 ( -0.067 0.654 0.000) 0.658 99.976 ( -0.047 -0.630 0.022) 0.632 ======================= Grid point 143 (43/315) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 1.403 0.000 20.538) 20.586 0.466 ( 3.497 0.000 22.270) 22.543 0.849 ( -0.370 0.000 40.295) 40.297 2.360 ( -0.112 0.000 -5.325) 5.326 2.784 ( -1.837 0.000 -3.875) 4.289 3.542 ( 0.304 0.000 2.651) 2.668 3.771 ( -38.071 0.000 -0.486) 38.074 4.188 ( 0.036 0.000 -2.006) 2.006 4.192 ( -2.143 0.000 2.221) 3.087 4.550 ( 11.434 0.000 0.949) 11.473 6.876 ( -3.833 0.000 -4.698) 6.064 6.979 ( 1.588 0.000 3.460) 3.807 8.588 ( -14.259 0.000 1.004) 14.295 10.331 ( -0.171 0.000 -1.266) 1.277 11.538 ( -0.567 0.000 1.997) 2.076 12.238 ( -0.173 0.000 -1.472) 1.483 14.882 ( 32.413 0.000 -0.181) 32.413 17.475 ( -1.312 0.000 -1.680) 2.131 45.506 ( 0.510 0.000 0.887) 1.024 46.188 ( 2.843 0.000 -1.903) 3.420 97.633 ( -0.955 0.000 -0.301) 1.001 97.693 ( -0.424 0.000 0.670) 0.793 99.909 ( 0.018 0.000 0.095) 0.097 100.011 ( 0.041 0.000 -0.070) 0.081 ======================= Grid point 144 (44/315) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 22.097 0.000 12.575) 25.424 0.800 ( 10.588 0.000 24.359) 26.560 1.248 ( 31.653 0.000 21.997) 38.546 2.351 ( 0.749 0.000 -5.568) 5.619 2.914 ( 12.785 0.000 -3.955) 13.383 3.570 ( 1.675 0.000 2.940) 3.384 4.134 ( 2.222 0.000 -9.354) 9.614 4.178 ( -0.388 0.000 -2.207) 2.241 4.453 ( 29.304 0.000 -17.349) 34.055 5.024 ( 37.374 0.000 -17.414) 41.232 6.796 ( -2.900 0.000 -7.198) 7.760 7.028 ( 2.143 0.000 4.564) 5.042 8.177 ( -18.631 0.000 14.710) 23.738 10.316 ( -0.961 0.000 -1.454) 1.743 11.542 ( 0.469 0.000 1.649) 1.714 12.204 ( -2.710 0.000 -1.524) 3.109 15.889 ( 41.065 0.000 -33.862) 53.225 17.436 ( -1.931 0.000 -2.690) 3.311 45.519 ( 0.526 0.000 1.306) 1.408 46.140 ( -4.817 0.000 -0.259) 4.823 97.606 ( -0.921 0.000 0.982) 1.347 97.686 ( -0.436 0.000 0.440) 0.620 99.909 ( 0.019 0.000 0.104) 0.106 100.010 ( -0.048 0.000 -0.047) 0.067 ======================= Grid point 145 (45/315) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 11.121 0.000 17.874) 21.052 1.252 ( 22.969 0.000 7.022) 24.019 1.989 ( 35.563 0.000 8.576) 36.583 2.358 ( 1.303 0.000 -4.684) 4.862 3.201 ( 15.102 0.000 -0.901) 15.129 3.619 ( 2.294 0.000 2.655) 3.509 4.069 ( -5.054 0.000 -5.268) 7.300 4.162 ( -0.604 0.000 -2.283) 2.361 4.921 ( 24.297 0.000 1.419) 24.339 5.548 ( 20.955 0.000 -23.720) 31.650 6.706 ( -4.438 0.000 -7.647) 8.841 7.084 ( 2.142 0.000 4.535) 5.015 7.929 ( -11.527 0.000 9.846) 15.159 10.288 ( -1.420 0.000 -1.463) 2.039 11.564 ( 1.314 0.000 1.152) 1.747 12.127 ( -4.536 0.000 -1.087) 4.665 16.340 ( 16.494 0.000 -17.566) 24.097 17.402 ( 0.021 0.000 -4.455) 4.455 45.534 ( 0.640 0.000 1.467) 1.601 46.034 ( -5.691 0.000 -0.549) 5.717 97.600 ( -0.167 0.000 0.686) 0.706 97.678 ( -0.403 0.000 0.283) 0.492 99.910 ( 0.017 0.000 0.084) 0.086 100.009 ( -0.123 0.000 -0.032) 0.127 ======================= Grid point 146 (46/315) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 16.488 0.000 6.483) 17.716 1.689 ( 19.140 0.000 3.246) 19.413 2.376 ( 1.444 0.000 -2.689) 3.052 2.653 ( 29.353 0.000 1.733) 29.404 3.426 ( 4.458 0.000 2.296) 5.015 3.670 ( 2.073 0.000 2.016) 2.891 3.960 ( -3.201 0.000 1.502) 3.536 4.144 ( -0.529 0.000 -2.100) 2.165 5.440 ( 26.320 0.000 4.818) 26.757 5.806 ( 12.180 0.000 -17.997) 21.731 6.578 ( -6.097 0.000 -7.693) 9.816 7.132 ( 1.458 0.000 3.264) 3.574 7.733 ( -10.898 0.000 5.945) 12.414 10.254 ( -1.489 0.000 -1.350) 2.010 11.600 ( 2.017 0.000 0.667) 2.124 12.026 ( -5.267 0.000 -0.201) 5.271 16.540 ( 7.724 0.000 -6.288) 9.959 17.425 ( 3.760 0.000 -5.841) 6.946 45.552 ( 0.780 0.000 1.290) 1.508 45.916 ( -5.816 0.000 -1.125) 5.924 97.600 ( -0.016 0.000 0.544) 0.544 97.671 ( -0.353 0.000 0.259) 0.438 99.910 ( 0.010 0.000 0.040) 0.041 100.006 ( -0.156 0.000 -0.028) 0.158 ======================= Grid point 147 (47/315) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 21.384 0.000 -0.984) 21.407 2.014 ( 12.952 0.000 -0.149) 12.953 2.397 ( 0.859 0.000 -0.086) 0.863 3.150 ( 20.539 0.000 -2.353) 20.674 3.328 ( -12.790 0.000 1.336) 12.860 3.709 ( 1.325 0.000 1.499) 2.000 3.982 ( 1.181 0.000 10.336) 10.403 4.131 ( -0.218 0.000 -1.643) 1.657 5.931 ( 12.923 0.000 -4.019) 13.533 5.993 ( 19.528 0.000 -5.290) 20.232 6.439 ( -5.053 0.000 -7.606) 9.132 7.155 ( 0.149 0.000 1.036) 1.047 7.522 ( -11.752 0.000 4.697) 12.656 10.224 ( -1.101 0.000 -1.223) 1.645 11.648 ( 2.790 0.000 0.424) 2.822 11.924 ( -4.976 0.000 0.875) 5.052 16.633 ( 3.148 0.000 -1.034) 3.314 17.507 ( 5.417 0.000 -5.140) 7.468 45.570 ( 0.665 0.000 0.618) 0.908 45.807 ( -4.568 0.000 -1.187) 4.719 97.601 ( 0.033 0.000 0.485) 0.486 97.666 ( -0.278 0.000 0.314) 0.419 99.910 ( -0.003 0.000 -0.016) 0.017 100.003 ( -0.134 0.000 -0.034) 0.138 ======================= Grid point 148 (48/315) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 23.600 0.000 -3.293) 23.828 2.206 ( 7.072 0.000 -2.268) 7.427 2.390 ( -2.406 0.000 1.449) 2.809 2.999 ( -18.923 0.000 1.836) 19.012 3.466 ( 11.696 0.000 -3.432) 12.189 3.731 ( 0.489 0.000 1.435) 1.516 3.963 ( -7.238 0.000 11.225) 13.356 4.127 ( 0.232 0.000 -1.134) 1.157 5.980 ( -1.549 0.000 -13.148) 13.239 6.368 ( 0.729 0.000 2.706) 2.802 6.458 ( 21.319 0.000 -2.969) 21.524 7.142 ( -1.407 0.000 -1.430) 2.006 7.308 ( -10.452 0.000 5.139) 11.647 10.207 ( -0.231 0.000 -1.119) 1.143 11.714 ( 3.736 0.000 0.565) 3.779 11.836 ( -4.128 0.000 1.710) 4.468 16.672 ( 0.928 0.000 0.818) 1.237 17.589 ( 3.602 0.000 -3.488) 5.014 45.574 ( -0.505 0.000 -0.756) 0.909 45.743 ( -1.247 0.000 -0.464) 1.331 97.603 ( 0.003 0.000 0.479) 0.479 97.663 ( -0.119 0.000 0.368) 0.387 99.910 ( -0.019 0.000 -0.068) 0.070 100.000 ( -0.063 0.000 -0.048) 0.079 ======================= Grid point 149 (49/315) ======================= q-point: (-0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -6.419 0.000 -1.658) 6.629 2.331 ( 1.206 0.000 0.522) 1.314 2.477 ( -12.913 0.000 7.818) 15.095 2.779 ( 14.479 0.000 -7.591) 16.348 3.598 ( 1.625 0.000 -4.672) 4.947 3.733 ( -0.793 0.000 1.422) 1.628 3.750 ( -15.640 0.000 10.234) 18.691 4.135 ( 0.740 0.000 -0.778) 1.074 5.812 ( -11.117 0.000 -14.971) 18.647 6.409 ( 2.006 0.000 2.352) 3.092 6.816 ( 12.224 0.000 4.607) 13.063 7.095 ( -2.534 0.000 -3.225) 4.101 7.186 ( -0.869 0.000 3.479) 3.586 10.211 ( 0.877 0.000 -1.000) 1.330 11.756 ( -2.920 0.000 2.293) 3.713 11.813 ( 4.337 0.000 0.667) 4.388 16.675 ( -0.911 0.000 0.877) 1.265 17.623 ( 0.685 0.000 -2.149) 2.255 45.547 ( -1.546 0.000 -1.695) 2.294 45.757 ( 2.385 0.000 -0.027) 2.385 97.603 ( -0.158 0.000 0.479) 0.504 97.664 ( 0.176 0.000 0.425) 0.460 99.909 ( -0.028 0.000 -0.095) 0.099 100.000 ( 0.030 0.000 -0.067) 0.073 ======================= Grid point 150 (50/315) ======================= q-point: (-0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -16.291 0.000 -0.263) 16.293 2.052 ( -25.684 0.000 8.863) 27.170 2.379 ( 2.243 0.000 -0.744) 2.363 3.133 ( 1.873 0.000 -1.458) 2.374 3.348 ( -6.270 0.000 0.002) 6.270 3.643 ( -1.972 0.000 -0.063) 1.973 3.704 ( -2.454 0.000 1.112) 2.694 4.151 ( 1.003 0.000 -0.717) 1.233 5.466 ( -19.395 0.000 -14.147) 24.006 6.427 ( -0.974 0.000 0.759) 1.234 6.941 ( 0.913 0.000 10.399) 10.439 7.032 ( -2.669 0.000 -3.678) 4.544 7.326 ( 11.610 0.000 -0.029) 11.610 10.235 ( 1.746 0.000 -0.851) 1.942 11.697 ( -3.326 0.000 2.436) 4.122 11.922 ( 5.910 0.000 0.638) 5.945 16.632 ( -3.721 0.000 -1.353) 3.959 17.612 ( -1.040 0.000 -1.137) 1.540 45.515 ( -1.152 0.000 -1.594) 1.966 45.824 ( 4.248 0.000 -0.395) 4.267 97.600 ( -0.289 0.000 0.433) 0.521 97.672 ( 0.430 0.000 0.534) 0.685 99.908 ( -0.025 0.000 -0.089) 0.092 100.001 ( 0.112 0.000 -0.088) 0.142 ======================= Grid point 151 (51/315) ======================= q-point: (-0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -25.989 0.000 10.976) 28.211 1.629 ( -21.930 0.000 0.780) 21.943 2.407 ( 0.773 0.000 -1.326) 1.535 2.609 ( -36.202 0.000 4.318) 36.459 3.513 ( -5.071 0.000 5.345) 7.368 3.647 ( -3.328 0.000 0.924) 3.454 3.708 ( 17.903 0.000 -9.003) 20.039 4.168 ( 0.906 0.000 -0.999) 1.348 4.996 ( -23.028 0.000 -12.041) 25.986 6.368 ( -4.602 0.000 -5.930) 7.506 6.977 ( -1.846 0.000 -2.687) 3.259 6.978 ( 0.227 0.000 9.544) 9.546 7.566 ( 11.800 0.000 4.144) 12.506 10.271 ( 2.012 0.000 -0.738) 2.144 11.639 ( -3.058 0.000 2.378) 3.874 12.042 ( 5.858 0.000 0.265) 5.864 16.508 ( -7.908 0.000 -7.896) 11.175 17.584 ( -1.459 0.000 -0.397) 1.512 45.495 ( -0.455 0.000 -1.057) 1.151 45.914 ( 4.802 0.000 -0.852) 4.877 97.596 ( -0.172 0.000 0.433) 0.466 97.682 ( 0.437 0.000 0.659) 0.791 99.908 ( -0.012 0.000 -0.050) 0.052 100.004 ( 0.160 0.000 -0.102) 0.190 ======================= Grid point 152 (52/315) ======================= q-point: (-0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -22.601 0.000 15.907) 27.638 1.160 ( -25.340 0.000 3.383) 25.565 1.841 ( -41.685 0.000 6.615) 42.207 2.404 ( -0.407 0.000 -2.624) 2.656 3.310 ( -15.039 0.000 2.438) 15.235 3.586 ( -2.879 0.000 1.222) 3.128 4.041 ( 15.344 0.000 -4.490) 15.987 4.181 ( 0.716 0.000 -1.403) 1.575 4.556 ( -16.455 0.000 -9.430) 18.966 6.181 ( -12.228 0.000 -21.304) 24.564 6.947 ( -0.583 0.000 -0.711) 0.919 6.995 ( -0.858 0.000 5.706) 5.771 7.837 ( 14.159 0.000 14.267) 20.101 10.306 ( 1.627 0.000 -0.771) 1.801 11.590 ( -2.523 0.000 2.286) 3.404 12.148 ( 4.646 0.000 -0.373) 4.661 16.243 ( -16.253 0.000 -22.757) 27.965 17.552 ( -1.810 0.000 -0.378) 1.849 45.490 ( 0.102 0.000 -0.361) 0.375 46.003 ( 4.286 0.000 -0.807) 4.361 97.598 ( 0.284 0.000 0.667) 0.725 97.691 ( 0.224 0.000 0.745) 0.777 99.908 ( 0.002 0.000 0.005) 0.006 100.007 ( 0.162 0.000 -0.104) 0.192 ======================= Grid point 153 (53/315) ======================= q-point: (-0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -24.045 0.000 9.860) 25.989 0.760 ( -19.428 0.000 19.113) 27.254 1.066 ( -34.890 0.000 20.256) 40.343 2.382 ( -0.700 0.000 -4.178) 4.236 2.985 ( -15.469 0.000 -0.647) 15.483 3.547 ( -1.432 0.000 1.934) 2.406 4.188 ( 0.449 0.000 -1.745) 1.802 4.218 ( -0.944 0.000 2.180) 2.375 4.381 ( 4.784 0.000 -9.289) 10.449 5.565 ( -51.379 0.000 -53.521) 74.191 6.949 ( 0.638 0.000 1.547) 1.674 6.963 ( -3.359 0.000 -0.331) 3.375 8.272 ( 25.589 0.000 22.129) 33.830 10.328 ( 0.792 0.000 -0.981) 1.261 11.554 ( -1.645 0.000 2.182) 2.733 12.218 ( 2.479 0.000 -1.030) 2.685 15.586 ( -46.348 0.000 -43.617) 63.644 17.510 ( -2.029 0.000 -0.903) 2.221 45.495 ( 0.383 0.000 0.303) 0.488 46.085 ( 4.497 0.000 0.798) 4.568 97.615 ( 1.349 0.000 0.979) 1.667 97.695 ( -0.042 0.000 0.781) 0.783 99.908 ( 0.013 0.000 0.059) 0.060 100.009 ( 0.118 0.000 -0.092) 0.150 ======================= Grid point 154 (54/315) ======================= q-point: ( 0.00 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -4.827 21.551 14.078) 26.191 0.791 ( 2.637 15.968 21.114) 26.604 1.102 ( 2.869 29.951 22.223) 37.405 2.526 ( 0.060 14.820 -5.035) 15.652 2.802 ( -0.198 2.030 -3.834) 4.343 3.698 ( 8.642 0.097 -4.270) 9.640 4.086 ( -6.690 -0.583 -5.675) 8.792 4.334 ( 0.090 12.252 -3.912) 12.862 4.450 ( -5.981 6.254 -6.589) 10.877 5.025 ( -5.537 50.786 -33.627) 61.161 6.851 ( -2.147 -0.167 -3.071) 3.751 7.036 ( -2.301 2.815 10.072) 10.709 8.458 ( -4.096 -2.866 6.859) 8.488 10.502 ( 0.767 15.773 -0.278) 15.794 11.893 ( -3.721 23.223 -10.502) 25.757 12.390 ( 0.163 14.370 -1.268) 14.427 14.830 ( 17.536 -3.730 1.327) 17.977 17.430 ( -1.199 -4.319 -1.540) 4.739 45.420 ( 0.504 -8.222 0.681) 8.265 45.991 ( 1.439 -16.519 0.613) 16.593 97.624 ( -0.408 0.107 0.963) 1.051 97.702 ( -0.315 0.941 0.572) 1.145 99.919 ( 0.022 0.652 -0.288) 0.713 100.011 ( 0.023 0.028 -0.023) 0.043 ======================= Grid point 155 (55/315) ======================= q-point: ( 0.09 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 10.158 13.571 14.665) 22.415 0.950 ( 8.387 8.354 23.951) 26.716 1.521 ( 27.769 23.450 12.662) 38.488 2.517 ( 0.232 14.485 -5.256) 15.411 2.920 ( 11.270 0.656 -3.654) 11.866 3.761 ( -1.080 9.744 3.966) 10.576 4.098 ( 3.984 -2.864 -11.587) 12.583 4.329 ( 0.086 12.206 -1.884) 12.351 4.518 ( 15.458 4.770 -8.002) 18.049 5.245 ( 23.280 19.968 -25.716) 40.025 6.787 ( -3.214 -0.560 -6.687) 7.441 7.035 ( -0.407 0.529 9.592) 9.615 8.264 ( -12.122 9.274 8.924) 17.680 10.509 ( -0.262 17.467 -0.761) 17.486 11.768 ( -3.317 19.440 -1.762) 19.800 12.373 ( -1.434 16.133 -1.279) 16.247 15.603 ( 40.640 -21.246 -16.641) 48.784 17.394 ( -1.760 -3.976 -2.465) 4.998 45.432 ( 0.446 -8.368 1.079) 8.449 45.970 ( -3.182 -15.570 0.017) 15.892 97.615 ( -0.484 0.925 0.870) 1.359 97.696 ( -0.403 0.980 0.383) 1.127 99.917 ( -0.153 0.581 -0.035) 0.602 100.011 ( -0.058 0.021 -0.004) 0.062 ======================= Grid point 156 (56/315) ======================= q-point: ( 0.18 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 9.975 4.193 16.020) 19.332 1.311 ( 20.441 5.118 10.656) 23.613 2.133 ( 29.698 12.932 5.040) 32.781 2.509 ( 0.418 13.351 -4.386) 14.059 3.169 ( 13.069 -2.667 -0.718) 13.357 3.762 ( -0.067 9.806 3.158) 10.302 4.063 ( -3.627 1.524 -6.924) 7.964 4.319 ( -0.752 12.845 -1.317) 12.934 4.902 ( 22.634 -1.599 1.999) 22.778 5.584 ( 16.543 3.789 -22.672) 28.321 6.680 ( -5.509 -2.241 -7.729) 9.753 7.072 ( 1.547 -1.384 7.539) 7.820 8.078 ( -9.329 14.907 6.838) 18.868 10.490 ( -1.269 18.520 -0.808) 18.581 11.752 ( 1.133 17.245 0.255) 17.284 12.330 ( -2.545 19.367 -0.933) 19.555 16.160 ( 21.522 -15.578 -12.673) 29.436 17.360 ( -0.390 -3.975 -3.797) 5.511 45.444 ( 0.514 -8.621 1.239) 8.724 45.886 ( -4.922 -14.010 -0.661) 14.864 97.611 ( -0.119 1.140 0.629) 1.307 97.689 ( -0.403 0.982 0.262) 1.093 99.915 ( -0.075 0.420 0.052) 0.430 100.009 ( -0.123 0.025 0.003) 0.125 ======================= Grid point 157 (57/315) ======================= q-point: ( 0.27 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 14.940 0.712 6.516) 16.314 1.735 ( 19.123 3.787 5.223) 20.182 2.506 ( 0.880 11.604 -2.641) 11.933 2.691 ( 24.675 3.945 0.109) 24.988 3.366 ( 4.121 -5.299 1.838) 6.959 3.765 ( -0.355 4.492 2.671) 5.238 3.974 ( -2.752 5.410 -0.012) 6.069 4.294 ( -1.268 12.836 -1.255) 12.960 5.388 ( 24.480 -4.747 5.093) 25.451 5.792 ( 10.534 -1.059 -17.528) 20.477 6.533 ( -6.758 -3.659 -8.339) 11.341 7.124 ( 1.497 -3.053 5.806) 6.729 7.911 ( -9.193 19.067 4.214) 21.582 10.459 ( -1.537 18.811 -0.747) 18.888 11.798 ( 3.283 18.506 0.386) 18.799 12.268 ( -3.413 22.937 -0.328) 23.192 16.451 ( 11.080 -8.088 -5.169) 14.659 17.374 ( 3.292 -4.706 -5.147) 7.712 45.459 ( 0.645 -8.926 1.085) 9.015 45.780 ( -5.271 -12.909 -1.186) 13.994 97.612 ( -0.008 1.163 0.518) 1.273 97.682 ( -0.363 0.964 0.250) 1.061 99.914 ( -0.043 0.305 0.034) 0.310 100.006 ( -0.152 0.037 -0.003) 0.156 ======================= Grid point 158 (58/315) ======================= q-point: ( 0.36 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 19.005 -2.230 -0.376) 19.139 2.073 ( 13.811 4.584 0.732) 14.570 2.517 ( 0.638 10.453 0.021) 10.472 3.111 ( 17.429 -3.053 -2.638) 17.890 3.284 ( -11.156 -3.842 0.489) 11.809 3.781 ( 0.643 0.909 4.843) 4.969 3.964 ( -0.570 4.366 5.892) 7.355 4.268 ( -0.956 12.001 -0.925) 12.075 5.858 ( 16.890 -7.169 2.476) 18.515 5.934 ( 12.092 -4.726 -11.567) 17.388 6.387 ( -4.911 -4.022 -8.166) 10.343 7.146 ( -1.244 -5.759 5.390) 7.985 7.741 ( -8.431 24.731 1.790) 26.190 10.429 ( -1.184 18.853 -0.671) 18.902 11.879 ( 4.626 21.506 0.323) 22.000 12.193 ( -4.190 25.172 0.354) 25.521 16.591 ( 4.320 -3.972 -0.717) 5.912 17.455 ( 5.681 -4.843 -4.998) 8.984 45.474 ( 0.591 -9.177 0.483) 9.209 45.680 ( -4.201 -12.066 -1.241) 12.837 97.614 ( 0.039 1.170 0.467) 1.260 97.676 ( -0.289 0.941 0.310) 1.032 99.913 ( -0.031 0.236 -0.007) 0.239 100.003 ( -0.133 0.047 -0.024) 0.143 ======================= Grid point 159 (59/315) ======================= q-point: ( 0.45 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 15.970 -5.533 -1.914) 17.009 2.292 ( 8.829 5.286 -2.315) 10.547 2.529 ( 0.949 9.458 0.767) 9.536 2.980 ( -16.997 -1.511 0.922) 17.089 3.388 ( 10.285 -6.486 -2.791) 12.476 3.791 ( -2.410 -3.220 7.904) 8.869 3.931 ( -4.111 6.338 3.903) 8.504 4.253 ( -0.346 11.159 -0.646) 11.183 5.905 ( -2.606 -6.487 -13.130) 14.875 6.311 ( 7.233 -6.291 9.421) 13.440 6.345 ( 13.286 -8.409 -10.220) 18.753 7.100 ( -4.604 -7.968 6.784) 11.433 7.603 ( -5.202 30.526 -1.253) 30.991 10.412 ( -0.345 18.836 -0.592) 18.848 11.979 ( 5.281 24.641 0.339) 25.202 12.105 ( -4.778 25.028 0.936) 25.497 16.639 ( 0.896 -3.081 0.830) 3.314 17.544 ( 3.877 -4.232 -3.683) 6.819 45.478 ( -0.462 -9.216 -0.797) 9.262 45.620 ( -1.134 -11.642 -0.547) 11.710 97.616 ( 0.007 1.175 0.463) 1.263 97.672 ( -0.121 0.927 0.370) 1.006 99.912 ( -0.023 0.213 -0.043) 0.219 100.001 ( -0.071 0.041 -0.056) 0.099 ======================= Grid point 160 (60/315) ======================= q-point: (-0.45 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -4.082 -3.824 0.496) 5.615 2.374 ( -2.869 2.649 0.885) 4.004 2.501 ( -10.310 2.826 1.840) 10.847 2.834 ( 12.846 4.410 -4.986) 14.469 3.506 ( 0.937 -7.755 -2.568) 8.223 3.660 ( -12.081 -7.197 9.372) 16.900 3.884 ( -0.802 13.268 0.750) 13.313 4.252 ( 0.591 10.820 -0.710) 10.860 5.729 ( -10.989 -7.000 -14.482) 19.481 6.358 ( 1.837 -4.077 1.233) 4.638 6.671 ( 12.599 -12.717 3.066) 18.162 7.039 ( -2.352 -7.084 7.774) 10.778 7.533 ( -0.974 32.403 -3.914) 32.653 10.413 ( 0.643 18.669 -0.526) 18.688 12.007 ( -4.964 23.124 1.485) 23.697 12.089 ( 5.220 25.963 0.219) 26.483 16.636 ( -1.454 -3.685 0.639) 4.013 17.578 ( 0.347 -4.309 -2.358) 4.924 45.452 ( -1.421 -9.064 -1.673) 9.326 45.634 ( 2.259 -11.674 -0.125) 11.892 97.616 ( -0.157 1.174 0.463) 1.272 97.674 ( 0.182 0.933 0.429) 1.043 99.912 ( -0.013 0.233 -0.063) 0.242 100.000 ( 0.018 0.019 -0.084) 0.088 ======================= Grid point 161 (61/315) ======================= q-point: (-0.36 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -16.330 -2.429 -0.006) 16.510 2.035 ( -23.888 -1.189 7.958) 25.207 2.482 ( 2.604 8.985 -1.257) 9.439 3.158 ( 5.388 2.492 -2.408) 6.407 3.272 ( -9.719 -5.991 1.295) 11.490 3.572 ( -1.568 -6.249 0.125) 6.444 3.881 ( 0.374 15.266 1.137) 15.313 4.272 ( 1.442 11.219 -0.716) 11.334 5.397 ( -18.279 -5.828 -13.383) 23.392 6.375 ( -0.611 -4.218 -0.220) 4.268 6.832 ( 3.444 -9.203 4.828) 10.948 7.059 ( 0.783 -4.926 8.126) 9.535 7.562 ( 5.405 27.730 -4.574) 28.620 10.433 ( 1.396 18.261 -0.515) 18.321 11.914 ( -4.703 20.022 1.724) 20.639 12.190 ( 4.773 25.295 0.125) 25.742 16.574 ( -5.159 -5.446 -1.618) 7.675 17.555 ( -1.712 -5.328 -1.151) 5.713 45.423 ( -0.997 -8.783 -1.574) 8.978 45.697 ( 3.956 -12.110 -0.467) 12.748 97.612 ( -0.285 1.177 0.418) 1.281 97.682 ( 0.432 0.944 0.531) 1.166 99.911 ( 0.003 0.282 -0.060) 0.288 100.001 ( 0.106 -0.002 -0.098) 0.144 ======================= Grid point 162 (62/315) ======================= q-point: (-0.27 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -23.837 -0.051 4.187) 24.202 1.610 ( -22.447 -0.746 7.878) 23.800 2.522 ( 1.270 10.386 -1.767) 10.611 2.695 ( -30.263 8.040 3.405) 31.497 3.411 ( -2.397 -6.979 3.144) 8.021 3.583 ( 5.859 -3.915 -6.256) 9.423 3.940 ( 6.816 16.486 -0.010) 17.840 4.300 ( 1.520 12.105 -0.863) 12.230 4.959 ( -21.336 -3.156 -11.254) 24.328 6.323 ( -3.972 -3.549 -6.424) 8.345 6.882 ( 1.177 -5.667 2.007) 6.126 7.077 ( -1.541 0.659 11.682) 11.801 7.709 ( 9.645 18.608 -1.472) 21.010 10.462 ( 1.610 17.646 -0.591) 17.729 11.836 ( -3.457 17.907 1.853) 18.331 12.277 ( 3.873 22.392 -0.151) 22.725 16.403 ( -11.335 -9.537 -7.265) 16.499 17.517 ( -1.769 -6.174 -0.145) 6.424 45.406 ( -0.328 -8.516 -1.092) 8.592 45.780 ( 4.462 -12.734 -0.877) 13.521 97.608 ( -0.186 1.173 0.405) 1.255 97.692 ( 0.433 0.941 0.642) 1.219 99.912 ( 0.034 0.349 -0.038) 0.352 100.004 ( 0.163 -0.005 -0.095) 0.189 ======================= Grid point 163 (63/315) ======================= q-point: (-0.18 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -21.659 2.348 5.726) 22.526 1.182 ( -22.092 3.459 14.790) 26.810 2.045 ( -34.215 17.528 4.022) 38.653 2.546 ( 0.681 12.656 -2.660) 12.950 3.246 ( -12.873 -4.646 1.725) 13.794 3.633 ( 0.255 1.675 -2.878) 3.339 4.137 ( 10.518 8.890 -2.071) 13.927 4.330 ( 2.189 12.229 -0.977) 12.462 4.551 ( -15.356 0.752 -8.190) 17.420 6.156 ( -10.500 -1.575 -19.736) 22.411 6.898 ( 0.232 -2.939 -0.332) 2.967 7.073 ( -2.251 2.909 13.896) 14.375 7.930 ( 12.417 12.029 5.717) 18.208 10.488 ( 1.115 16.810 -0.761) 16.865 11.796 ( -0.679 18.284 1.686) 18.375 12.341 ( 2.704 18.598 -0.577) 18.803 16.049 ( -22.432 -16.441 -17.534) 32.877 17.485 ( -1.497 -5.973 0.099) 6.159 45.403 ( 0.186 -8.333 -0.463) 8.348 45.863 ( 3.967 -13.359 -0.875) 13.963 97.609 ( 0.147 1.076 0.572) 1.228 97.701 ( 0.217 0.931 0.706) 1.189 99.913 ( 0.105 0.450 -0.015) 0.463 100.007 ( 0.171 0.010 -0.076) 0.187 ======================= Grid point 164 (64/315) ======================= q-point: (-0.09 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -11.718 14.978 10.771) 21.856 0.880 ( -13.037 7.877 23.176) 27.733 1.404 ( -30.022 27.461 8.939) 41.658 2.543 ( -0.070 14.235 -4.145) 14.826 2.964 ( -13.451 -0.895 -1.349) 13.549 3.624 ( 0.575 3.435 -2.074) 4.053 4.209 ( -3.536 0.913 -1.155) 3.831 4.355 ( -1.875 6.375 -7.094) 9.720 4.430 ( 6.586 9.199 0.817) 11.343 5.706 ( -29.389 11.664 -42.205) 52.735 6.889 ( -1.083 -1.178 -0.505) 1.678 7.060 ( -2.694 3.480 11.667) 12.470 8.251 ( 16.665 3.086 12.116) 20.833 10.498 ( 0.089 15.742 -0.770) 15.761 11.839 ( 5.418 22.141 -1.471) 22.842 12.379 ( 1.277 15.390 -1.039) 15.478 15.344 ( -42.606 -16.877 -22.982) 51.267 17.457 ( -1.330 -4.977 -0.514) 5.177 45.409 ( 0.446 -8.228 0.155) 8.241 45.933 ( 3.347 -14.234 0.183) 14.623 97.618 ( 0.516 0.577 0.924) 1.205 97.704 ( -0.080 0.921 0.692) 1.155 99.916 ( 0.245 0.600 -0.091) 0.655 100.010 ( 0.124 0.028 -0.049) 0.136 ======================= Grid point 165 (65/315) ======================= q-point: ( 0.00 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.937 14.501 20.030) 24.746 1.270 ( -1.177 25.271 6.875) 26.216 1.842 ( 1.817 37.310 9.356) 38.508 2.854 ( 0.768 5.769 -4.080) 7.107 2.909 ( -0.487 17.714 -3.736) 18.110 3.693 ( 6.886 -0.281 -4.639) 8.307 4.022 ( -5.011 -4.584 -3.022) 7.433 4.349 ( 1.480 -4.685 -2.100) 5.343 4.831 ( -0.475 25.840 -2.319) 25.948 5.735 ( -4.153 20.443 -25.874) 33.236 6.864 ( -2.342 -0.184 -2.758) 3.623 7.094 ( -3.419 4.379 16.628) 17.532 8.609 ( 1.416 16.789 0.385) 16.853 10.939 ( 1.216 25.230 1.882) 25.329 12.371 ( -3.078 23.897 -7.038) 25.101 12.804 ( 1.101 24.961 -0.706) 24.995 14.749 ( 6.727 -3.995 0.659) 7.851 17.298 ( -0.754 -8.431 -1.143) 8.541 45.175 ( 0.450 -15.262 0.117) 15.269 45.553 ( 0.544 -25.423 -0.284) 25.430 97.646 ( -0.078 1.868 0.656) 1.982 97.730 ( -0.256 1.759 0.419) 1.827 99.931 ( 0.025 0.548 -0.125) 0.562 100.011 ( 0.012 -0.012 0.087) 0.089 ======================= Grid point 166 (66/315) ======================= q-point: ( 0.09 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 5.017 12.161 19.930) 23.880 1.250 ( 0.336 23.127 9.295) 24.928 2.084 ( 17.091 29.286 6.425) 34.512 2.879 ( -0.706 18.715 -4.576) 19.279 2.946 ( 7.630 2.417 -3.056) 8.567 3.856 ( 3.192 0.464 4.816) 5.797 4.019 ( 9.208 -4.436 -12.482) 16.133 4.433 ( 7.526 -2.608 0.763) 8.001 4.815 ( 0.392 23.662 -3.276) 23.891 5.663 ( 3.048 17.057 -21.957) 27.970 6.774 ( -5.542 -1.115 -4.659) 7.326 7.065 ( -3.305 3.088 12.694) 13.476 8.586 ( -2.712 22.076 2.236) 22.354 10.975 ( 1.269 26.301 1.642) 26.383 12.247 ( -4.501 25.804 -3.321) 26.403 12.846 ( 2.692 28.872 -0.908) 29.011 15.206 ( 31.800 -15.923 -3.413) 35.727 17.273 ( -1.324 -7.745 -1.760) 8.052 45.182 ( 0.247 -15.512 0.443) 15.520 45.540 ( -1.783 -25.277 -0.523) 25.345 97.646 ( -0.128 2.022 0.592) 2.111 97.725 ( -0.386 1.777 0.290) 1.841 99.929 ( -0.191 0.603 -0.040) 0.634 100.011 ( -0.072 -0.006 0.098) 0.122 ======================= Grid point 167 (67/315) ======================= q-point: ( 0.18 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 3.728 12.941 14.453) 19.755 1.462 ( 15.301 9.944 10.866) 21.239 2.468 ( 19.155 18.454 0.530) 26.604 2.843 ( -1.543 17.476 -3.574) 17.904 3.112 ( 8.578 -2.226 -0.759) 8.894 3.828 ( -4.319 -3.139 0.624) 5.375 4.186 ( 6.162 7.247 -4.031) 10.332 4.591 ( 4.677 9.411 -0.146) 10.510 4.907 ( 12.140 5.961 0.935) 13.557 5.705 ( 6.062 7.383 -18.623) 20.930 6.627 ( -7.537 -2.686 -6.621) 10.385 7.036 ( -2.786 -1.607 9.774) 10.290 8.542 ( -2.424 29.383 3.072) 29.642 10.985 ( -0.585 27.809 1.011) 27.833 12.221 ( 2.172 27.035 -0.379) 27.125 12.896 ( 2.343 34.372 -0.951) 34.465 15.798 ( 27.343 -17.665 -5.363) 32.991 17.243 ( -0.844 -7.297 -2.583) 7.786 45.188 ( 0.199 -15.913 0.595) 15.925 45.484 ( -3.411 -24.050 -0.997) 24.311 97.645 ( -0.054 2.096 0.505) 2.156 97.717 ( -0.418 1.762 0.217) 1.824 99.925 ( -0.188 0.579 0.026) 0.610 100.009 ( -0.124 -0.001 0.093) 0.155 ======================= Grid point 168 (68/315) ======================= q-point: ( 0.27 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 10.436 7.332 7.342) 14.716 1.826 ( 17.631 4.944 7.604) 19.827 2.792 ( 3.905 14.030 -3.689) 15.023 2.825 ( 10.091 9.587 -0.982) 13.954 3.239 ( 2.890 -6.040 0.685) 6.731 3.724 ( -5.725 -5.863 2.320) 8.517 4.242 ( 1.027 15.494 0.095) 15.529 4.606 ( -1.214 16.383 -1.643) 16.510 5.260 ( 19.723 -7.185 4.902) 21.556 5.779 ( 5.638 0.213 -15.790) 16.768 6.451 ( -7.718 -3.919 -7.921) 11.734 7.003 ( -3.157 -7.278 7.993) 11.262 8.503 ( -2.360 36.325 2.533) 36.490 10.965 ( -1.494 28.502 0.663) 28.549 12.316 ( 6.912 30.437 0.551) 31.217 12.923 ( 0.407 38.967 -0.981) 38.981 16.238 ( 17.830 -11.707 -2.815) 21.515 17.243 ( 2.200 -7.805 -3.862) 8.982 45.194 ( 0.302 -16.400 0.509) 16.410 45.406 ( -3.903 -22.511 -1.350) 22.887 97.646 ( 0.006 2.101 0.452) 2.150 97.710 ( -0.395 1.727 0.229) 1.787 99.922 ( -0.144 0.491 0.028) 0.512 100.007 ( -0.145 0.011 0.063) 0.159 ======================= Grid point 169 (69/315) ======================= q-point: ( 0.36 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 15.288 3.009 1.458) 15.650 2.166 ( 14.552 3.881 2.794) 15.317 2.762 ( -2.356 11.545 -0.233) 11.786 3.061 ( 8.409 -1.155 -2.479) 8.842 3.198 ( -5.466 -3.339 -1.132) 6.504 3.645 ( -3.495 -9.681 7.837) 12.936 4.249 ( -0.315 18.171 1.383) 18.227 4.568 ( -1.736 15.910 -1.095) 16.042 5.653 ( 17.099 -11.978 5.216) 21.519 5.830 ( 3.901 -4.907 -14.571) 15.863 6.300 ( -4.706 -4.132 -6.866) 9.294 6.951 ( -4.168 -10.946 7.370) 13.839 8.461 ( -2.332 42.083 1.311) 42.168 10.937 ( -1.318 28.658 0.516) 28.693 12.480 ( 9.067 35.276 0.541) 36.427 12.898 ( -2.892 41.290 -0.968) 41.403 16.480 ( 7.153 -6.441 0.048) 9.626 17.317 ( 6.118 -8.250 -4.799) 11.336 45.203 ( 0.424 -16.795 0.108) 16.800 45.330 ( -3.243 -21.146 -1.396) 21.439 97.648 ( 0.051 2.102 0.422) 2.144 97.703 ( -0.318 1.689 0.300) 1.744 99.920 ( -0.093 0.411 0.018) 0.422 100.004 ( -0.133 0.021 0.003) 0.135 ======================= Grid point 170 (70/315) ======================= q-point: ( 0.45 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 13.762 0.209 -0.402) 13.769 2.405 ( 9.168 4.916 -1.065) 10.458 2.678 ( -6.678 3.151 -1.833) 7.608 2.965 ( -9.846 0.703 1.141) 9.937 3.254 ( 6.112 -4.846 -1.124) 7.881 3.604 ( -3.863 -9.870 9.690) 14.361 4.241 ( -0.715 19.072 0.931) 19.108 4.541 ( -0.716 15.445 -0.512) 15.470 5.743 ( -4.181 -8.744 -11.496) 15.037 6.043 ( 16.122 -15.587 1.177) 22.456 6.246 ( 0.354 -3.897 -3.013) 4.938 6.887 ( -3.862 -11.209 7.666) 14.118 8.418 ( -2.177 45.696 -0.252) 45.748 10.919 ( -0.599 28.579 0.448) 28.589 12.661 ( 8.651 39.532 0.089) 40.468 12.802 ( -6.373 40.759 -0.813) 41.262 16.551 ( 0.712 -5.220 0.841) 5.335 17.421 ( 4.592 -7.457 -4.255) 9.736 45.206 ( -0.312 -16.750 -0.908) 16.777 45.282 ( -0.858 -20.525 -0.788) 20.558 97.650 ( 0.015 2.105 0.422) 2.147 97.700 ( -0.126 1.667 0.372) 1.713 99.918 ( -0.031 0.380 0.017) 0.382 100.002 ( -0.088 0.012 -0.069) 0.113 ======================= Grid point 171 (71/315) ======================= q-point: (-0.45 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -2.587 -0.281 1.949) 3.251 2.381 ( -14.940 -1.406 0.087) 15.006 2.607 ( 4.329 5.783 -3.399) 7.984 2.902 ( 5.924 0.749 -1.397) 6.132 3.336 ( 1.501 -6.874 0.703) 7.070 3.523 ( -6.700 -4.441 7.400) 10.926 4.235 ( 0.075 19.400 0.919) 19.422 4.542 ( 1.095 16.152 -0.322) 16.192 5.559 ( -10.687 -8.930 -12.458) 18.686 6.266 ( 1.629 -4.786 -2.076) 5.465 6.343 ( 12.942 -17.534 4.106) 22.176 6.858 ( -0.901 -9.608 8.295) 12.725 8.376 ( -1.725 46.800 -1.680) 46.862 10.916 ( 0.187 28.328 0.346) 28.331 12.646 ( -8.719 37.159 -0.485) 38.171 12.813 ( 6.253 42.165 -0.454) 42.628 16.531 ( -2.903 -6.336 -0.071) 6.970 17.454 ( -0.392 -7.471 -2.915) 8.029 45.185 ( -1.098 -16.517 -1.615) 16.632 45.295 ( 1.930 -20.552 -0.405) 20.647 97.650 ( -0.151 2.106 0.421) 2.153 97.701 ( 0.198 1.675 0.437) 1.742 99.918 ( 0.026 0.409 0.019) 0.410 100.000 ( -0.009 -0.017 -0.120) 0.121 ======================= Grid point 172 (72/315) ======================= q-point: (-0.36 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -16.771 -1.248 -1.772) 16.910 2.026 ( -20.104 0.804 8.478) 21.834 2.696 ( 4.942 10.232 -2.200) 11.574 3.107 ( 9.385 -6.952 -2.560) 11.957 3.258 ( -8.705 3.508 2.353) 9.676 3.440 ( -1.119 -4.038 0.553) 4.226 4.251 ( 1.210 18.700 1.448) 18.795 4.581 ( 2.599 17.915 -0.160) 18.103 5.257 ( -16.172 -7.369 -11.222) 21.019 6.279 ( 0.081 -4.743 -2.447) 5.338 6.574 ( 9.163 -14.800 3.494) 17.754 6.899 ( 2.164 -8.726 10.196) 13.593 8.346 ( -0.516 44.989 -2.588) 45.067 10.926 ( 0.706 27.890 0.137) 27.899 12.467 ( -8.719 32.324 0.028) 33.479 12.902 ( 2.865 41.776 -0.902) 41.884 16.420 ( -8.571 -9.059 -2.466) 12.713 17.406 ( -3.096 -8.757 -1.273) 9.375 45.163 ( -0.586 -16.050 -1.514) 16.132 45.345 ( 3.161 -21.303 -0.688) 21.548 97.647 ( -0.264 2.123 0.381) 2.173 97.709 ( 0.438 1.686 0.521) 1.818 99.919 ( 0.067 0.477 0.013) 0.482 100.001 ( 0.090 -0.047 -0.121) 0.158 ======================= Grid point 173 (73/315) ======================= q-point: (-0.27 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -17.889 2.473 -2.252) 18.199 1.649 ( -20.527 4.421 13.607) 25.021 2.780 ( 3.162 12.884 -2.521) 13.504 2.910 ( -18.406 11.728 3.028) 22.034 3.268 ( -1.646 -6.040 1.523) 6.442 3.501 ( 8.063 -3.356 -6.548) 10.916 4.288 ( 1.980 15.323 1.309) 15.506 4.617 ( -0.669 16.260 -1.306) 16.326 4.898 ( -14.556 -0.836 -8.175) 16.715 6.247 ( -2.224 -3.445 -6.918) 8.042 6.730 ( 6.063 -8.696 1.645) 10.728 6.982 ( 2.324 -7.289 14.858) 16.712 8.346 ( 1.447 39.825 -2.827) 39.951 10.941 ( 0.647 27.172 -0.137) 27.180 12.319 ( -5.744 27.793 0.582) 28.386 12.924 ( -0.305 38.737 -1.135) 38.755 16.152 ( -17.729 -13.908 -6.151) 23.358 17.349 ( -2.125 -9.694 0.002) 9.924 45.154 ( 0.010 -15.610 -1.180) 15.654 45.411 ( 3.533 -22.391 -0.985) 22.689 97.643 ( -0.192 2.147 0.349) 2.183 97.720 ( 0.433 1.682 0.598) 1.837 99.921 ( 0.112 0.554 0.002) 0.566 100.003 ( 0.168 -0.055 -0.075) 0.192 ======================= Grid point 174 (74/315) ======================= q-point: (-0.18 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -11.189 12.322 3.611) 17.031 1.315 ( -15.919 9.513 14.489) 23.534 2.468 ( -23.302 21.828 2.055) 31.995 2.864 ( 3.217 16.507 -2.102) 16.948 3.157 ( -8.823 -3.158 0.525) 9.385 3.620 ( 4.391 -2.353 -6.450) 8.150 4.322 ( -0.130 6.835 0.807) 6.884 4.438 ( -11.250 -1.600 -6.925) 13.307 4.790 ( 1.573 21.344 -0.581) 21.410 6.143 ( -5.532 0.378 -15.071) 16.059 6.830 ( 3.867 -3.749 -0.211) 5.390 7.059 ( 0.437 -3.016 19.583) 19.819 8.396 ( 4.436 31.750 -1.947) 32.118 10.946 ( -0.196 26.092 -0.198) 26.093 12.261 ( 0.056 25.378 0.657) 25.387 12.892 ( -2.343 33.671 -1.272) 33.777 15.676 ( -27.843 -17.869 -9.824) 34.511 17.322 ( -0.788 -9.600 0.184) 9.634 45.156 ( 0.419 -15.315 -0.738) 15.339 45.475 ( 3.113 -23.483 -1.039) 23.712 97.642 ( -0.005 2.106 0.406) 2.145 97.728 ( 0.234 1.686 0.620) 1.811 99.924 ( 0.191 0.611 -0.015) 0.640 100.007 ( 0.183 -0.039 -0.008) 0.187 ======================= Grid point 175 (75/315) ======================= q-point: (-0.09 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -8.783 13.203 17.690) 23.757 1.211 ( 1.701 24.122 7.206) 25.233 2.030 ( -19.722 31.399 4.677) 37.373 2.903 ( 0.803 19.148 -3.929) 19.564 2.964 ( -8.397 0.925 -1.562) 8.591 3.647 ( 1.000 -0.568 -5.112) 5.240 4.181 ( -9.274 -3.024 -2.017) 9.961 4.354 ( -0.389 -3.141 -3.459) 4.688 4.827 ( 1.411 24.652 -0.410) 24.696 5.945 ( -8.415 9.861 -24.149) 27.409 6.880 ( 1.227 -0.990 -1.336) 2.067 7.099 ( -1.944 1.859 20.114) 20.293 8.512 ( 6.945 21.889 -0.297) 22.966 10.934 ( -0.780 25.171 0.585) 25.190 12.327 ( 5.886 24.361 -1.947) 25.138 12.833 ( -2.868 27.870 -1.403) 28.052 15.045 ( -29.439 -11.611 -7.803) 32.593 17.311 ( -0.445 -9.033 -0.410) 9.053 45.165 ( 0.569 -15.189 -0.287) 15.203 45.526 ( 2.161 -24.491 -0.659) 24.595 97.644 ( 0.087 1.942 0.563) 2.024 97.732 ( -0.031 1.718 0.555) 1.805 99.929 ( 0.243 0.595 -0.070) 0.646 100.010 ( 0.120 -0.022 0.051) 0.132 ======================= Grid point 176 (76/315) ======================= q-point: ( 0.00 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -0.489 18.363 11.445) 21.643 1.777 ( -0.773 23.559 3.818) 23.879 2.576 ( 1.033 32.995 6.146) 33.578 2.947 ( 0.285 4.707 -2.553) 5.363 3.285 ( 0.491 15.776 -4.832) 16.506 3.697 ( 7.433 1.191 -5.172) 9.134 3.910 ( -6.966 -6.053 -1.087) 9.293 4.228 ( 1.617 -6.642 0.272) 6.842 5.398 ( 0.016 27.696 -4.155) 28.006 6.000 ( -2.707 7.507 -14.328) 16.401 6.819 ( -3.077 -3.429 5.640) 7.282 7.225 ( -1.569 7.034 8.184) 10.905 9.104 ( 1.733 30.026 -1.431) 30.110 11.473 ( 1.256 24.756 3.885) 25.090 12.891 ( -1.537 26.299 -3.753) 26.610 13.379 ( 1.827 29.755 -0.325) 29.813 14.678 ( 2.863 -2.290 -0.125) 3.668 17.084 ( -0.138 -12.263 -0.550) 12.276 44.807 ( 0.337 -19.878 -0.663) 19.892 44.977 ( 0.283 -29.380 -1.086) 29.402 97.695 ( -0.013 2.675 0.381) 2.702 97.771 ( -0.206 2.086 0.325) 2.122 99.943 ( 0.018 0.569 -0.009) 0.569 100.010 ( 0.006 -0.101 0.205) 0.228 ======================= Grid point 177 (77/315) ======================= q-point: ( 0.09 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 2.823 16.059 11.881) 20.175 1.737 ( -3.375 23.235 6.131) 24.266 2.680 ( 7.299 27.730 3.655) 28.906 2.986 ( 3.478 2.295 -1.823) 4.548 3.272 ( -0.725 17.362 -4.956) 18.070 3.799 ( -3.541 -5.983 1.229) 7.061 3.948 ( 16.734 -1.627 -7.456) 18.392 4.333 ( 8.943 -6.280 2.461) 11.202 5.346 ( -3.848 26.203 -4.565) 26.875 5.914 ( -1.908 7.948 -14.137) 16.330 6.732 ( -6.594 -2.709 2.054) 7.419 7.159 ( -6.832 5.203 7.435) 11.359 9.158 ( 3.844 32.625 0.187) 32.851 11.527 ( 2.392 25.515 4.023) 25.941 12.809 ( -2.858 28.317 -1.868) 28.522 13.513 ( 9.146 34.472 -0.690) 35.671 14.949 ( 22.446 -9.235 -0.415) 24.275 17.077 ( -0.451 -11.238 -0.749) 11.272 44.809 ( -0.009 -20.228 -0.469) 20.233 44.968 ( -0.903 -29.076 -1.162) 29.113 97.695 ( -0.047 2.669 0.389) 2.698 97.766 ( -0.369 2.115 0.224) 2.158 99.941 ( -0.155 0.597 0.015) 0.617 100.010 ( -0.087 -0.098 0.216) 0.253 ======================= Grid point 178 (78/315) ======================= q-point: ( 0.18 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 3.495 14.115 11.071) 18.276 1.740 ( 3.944 16.949 8.436) 19.339 2.857 ( 9.358 18.256 -1.964) 20.608 3.041 ( 1.414 -0.116 0.598) 1.540 3.237 ( -0.938 15.848 -4.347) 16.460 3.708 ( -5.687 -7.671 -0.360) 9.556 4.259 ( 13.702 0.189 -2.527) 13.934 4.602 ( 16.709 -4.885 3.310) 17.721 5.234 ( -5.774 21.328 -4.034) 22.461 5.851 ( -0.733 5.948 -13.171) 14.471 6.576 ( -8.743 -2.111 -2.495) 9.334 7.017 ( -9.030 -0.276 7.799) 11.935 9.248 ( 4.579 37.957 1.380) 38.257 11.567 ( 0.391 26.949 3.066) 27.125 12.828 ( 5.190 31.108 0.629) 31.545 13.685 ( 7.880 40.608 -1.286) 41.386 15.472 ( 28.394 -13.599 -1.558) 31.521 17.064 ( -0.480 -9.963 -1.326) 10.062 44.805 ( -0.196 -20.733 -0.361) 20.737 44.936 ( -1.813 -27.877 -1.348) 27.969 97.695 ( -0.040 2.651 0.382) 2.679 97.758 ( -0.437 2.115 0.180) 2.167 99.938 ( -0.231 0.608 0.032) 0.651 100.008 ( -0.135 -0.102 0.199) 0.261 ======================= Grid point 179 (79/315) ======================= q-point: ( 0.27 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 5.463 13.181 7.583) 16.159 1.947 ( 12.677 7.064 7.834) 16.491 2.984 ( -0.130 1.594 0.408) 1.650 3.051 ( 3.238 10.055 -3.772) 11.217 3.223 ( 0.172 8.892 -2.127) 9.144 3.575 ( -7.498 -8.185 1.852) 11.253 4.462 ( 7.517 4.573 0.129) 8.800 4.923 ( 9.627 8.452 -0.071) 12.811 5.149 ( 2.301 2.324 0.345) 3.289 5.809 ( -0.240 2.485 -12.298) 12.549 6.386 ( -8.868 -2.126 -4.857) 10.332 6.864 ( -8.164 -5.857 7.531) 12.556 9.333 ( 3.419 42.776 1.701) 42.946 11.563 ( -1.268 27.860 2.225) 27.977 13.005 ( 11.724 35.404 1.598) 37.329 13.801 ( 3.879 44.416 -1.822) 44.622 15.997 ( 23.328 -11.182 -0.913) 25.886 17.063 ( 1.488 -9.395 -2.760) 9.905 44.801 ( -0.160 -21.386 -0.385) 21.390 44.892 ( -2.123 -26.116 -1.486) 26.245 97.696 ( 0.003 2.622 0.372) 2.648 97.750 ( -0.431 2.091 0.209) 2.145 99.933 ( -0.223 0.568 0.037) 0.611 100.006 ( -0.148 -0.104 0.141) 0.229 ======================= Grid point 180 (80/315) ======================= q-point: ( 0.36 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 11.029 9.077 3.636) 14.740 2.228 ( 13.136 2.457 4.112) 13.982 2.877 ( -8.572 -2.247 -1.053) 8.924 3.099 ( -1.459 5.099 -0.883) 5.377 3.222 ( 0.463 6.253 -0.481) 6.289 3.459 ( -3.649 -7.255 4.620) 9.343 4.576 ( 4.061 10.647 1.691) 11.520 4.903 ( -4.437 16.814 -3.123) 17.668 5.388 ( 14.204 -13.284 3.906) 19.836 5.756 ( -2.049 -1.664 -12.205) 12.487 6.229 ( -4.963 -2.442 -3.874) 6.753 6.743 ( -5.855 -8.826 6.546) 12.451 9.388 ( 1.592 46.258 1.454) 46.308 11.539 ( -1.512 28.064 1.717) 28.157 13.271 ( 13.895 40.079 1.198) 42.437 13.817 ( -1.917 46.098 -2.311) 46.196 16.338 ( 10.338 -7.035 0.859) 12.534 17.129 ( 6.337 -9.620 -4.817) 12.486 44.799 ( 0.130 -22.165 -0.531) 22.172 44.848 ( -1.860 -24.212 -1.516) 24.331 97.697 ( 0.053 2.599 0.365) 2.625 97.743 ( -0.349 2.062 0.287) 2.111 99.929 ( -0.153 0.515 0.053) 0.540 100.003 ( -0.138 -0.105 0.041) 0.179 ======================= Grid point 181 (81/315) ======================= q-point: ( 0.45 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 11.514 5.926 1.651) 13.055 2.468 ( 9.831 0.985 0.119) 9.881 2.655 ( -12.220 -3.835 -4.540) 13.589 2.965 ( -10.041 -2.027 4.366) 11.135 3.253 ( 2.034 4.609 1.027) 5.141 3.468 ( 1.776 -2.245 6.041) 6.685 4.633 ( 0.910 17.019 1.769) 17.135 4.831 ( -1.221 11.343 -1.244) 11.476 5.558 ( -2.631 -9.141 -5.578) 11.027 5.747 ( 9.289 -11.008 -3.583) 14.843 6.175 ( -0.218 -2.768 -1.521) 3.166 6.672 ( -2.860 -9.337 5.944) 11.432 9.404 ( -0.314 48.404 0.858) 48.413 11.518 ( -0.967 27.873 1.344) 27.922 13.531 ( 10.873 43.144 0.057) 44.493 13.714 ( -7.003 46.176 -2.519) 46.772 16.434 ( 0.298 -5.929 0.790) 5.989 17.248 ( 5.481 -9.012 -5.071) 11.704 44.805 ( 0.671 -23.306 -0.731) 23.327 44.813 ( -1.244 -22.278 -1.484) 22.362 97.699 ( 0.021 2.588 0.370) 2.614 97.739 ( -0.132 2.048 0.370) 2.085 99.928 ( -0.042 0.489 0.084) 0.498 100.001 ( -0.107 -0.113 -0.071) 0.171 ======================= Grid point 182 (82/315) ======================= q-point: (-0.45 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -4.269 4.481 2.972) 6.865 2.348 ( -13.838 -1.307 -2.255) 14.081 2.672 ( 8.688 -0.190 -2.498) 9.042 2.845 ( 0.443 -5.038 1.026) 5.160 3.291 ( 1.137 2.903 2.200) 3.816 3.511 ( 0.014 2.736 5.960) 6.558 4.619 ( -2.077 16.048 1.044) 16.215 4.865 ( 4.354 13.565 0.869) 14.273 5.384 ( -10.629 -7.032 -9.161) 15.695 5.987 ( 13.306 -14.830 -1.051) 19.952 6.187 ( 1.128 -3.407 1.232) 3.794 6.665 ( 0.517 -8.803 6.313) 10.845 9.381 ( -2.073 49.185 0.119) 49.229 11.509 ( -0.236 27.571 0.981) 27.590 13.472 ( -12.490 41.406 -2.300) 43.310 13.749 ( 6.990 46.928 -1.164) 47.460 16.387 ( -4.851 -7.321 -1.191) 8.863 17.282 ( -1.048 -8.902 -3.610) 9.663 44.790 ( -0.607 -21.476 -1.418) 21.532 44.823 ( 1.423 -23.871 -0.945) 23.933 97.699 ( -0.132 2.593 0.372) 2.622 97.740 ( 0.210 2.051 0.439) 2.108 99.928 ( 0.066 0.511 0.109) 0.526 99.999 ( -0.037 -0.131 -0.144) 0.198 ======================= Grid point 183 (83/315) ======================= q-point: (-0.36 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -14.733 3.377 -2.817) 15.375 2.078 ( -15.863 4.322 9.036) 18.761 2.826 ( 7.559 0.889 -2.043) 7.880 2.977 ( 9.560 -5.424 -3.032) 11.402 3.304 ( -0.570 4.317 1.848) 4.730 3.491 ( -2.652 6.677 3.113) 7.830 4.576 ( -2.562 11.354 1.602) 11.750 4.981 ( 5.787 20.128 1.306) 20.984 5.103 ( -14.445 -7.364 -8.472) 18.294 6.182 ( 3.389 -5.012 -7.587) 9.704 6.287 ( 11.575 -11.152 7.140) 17.588 6.722 ( 3.063 -8.232 8.272) 12.066 9.325 ( -3.432 48.364 -0.605) 48.489 11.511 ( 0.156 27.243 0.619) 27.250 13.194 ( -13.962 36.964 -1.828) 39.556 13.831 ( 1.486 46.536 -1.824) 46.595 16.218 ( -12.220 -10.157 -3.915) 16.366 17.210 ( -4.448 -9.929 -1.559) 10.991 44.780 ( -0.022 -20.580 -1.357) 20.625 44.855 ( 2.035 -25.137 -1.112) 25.243 97.697 ( -0.213 2.635 0.345) 2.666 97.749 ( 0.434 2.045 0.501) 2.150 99.930 ( 0.131 0.568 0.101) 0.591 99.999 ( 0.071 -0.151 -0.135) 0.215 ======================= Grid point 184 (84/315) ======================= q-point: (-0.27 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -9.158 10.202 -1.224) 13.764 1.784 ( -15.628 8.492 11.047) 20.937 2.954 ( 5.259 1.761 -1.868) 5.852 3.086 ( -0.663 2.048 -0.184) 2.161 3.267 ( -2.550 9.285 0.557) 9.645 3.486 ( 3.281 3.158 -2.449) 5.171 4.516 ( -4.518 6.184 2.280) 7.991 4.729 ( -18.046 -2.732 -7.303) 19.659 5.138 ( 7.304 20.724 0.377) 21.976 6.192 ( 0.277 -1.810 -6.115) 6.383 6.550 ( 11.935 -8.240 1.801) 14.614 6.832 ( 5.337 -6.852 12.331) 15.083 9.245 ( -4.286 45.532 -1.330) 45.752 11.513 ( -0.263 26.708 0.397) 26.713 12.942 ( -10.165 31.793 -0.940) 33.391 13.799 ( -4.078 44.374 -2.118) 44.611 15.863 ( -22.019 -13.591 -5.854) 26.529 17.132 ( -2.782 -11.126 -0.293) 11.472 44.781 ( 0.425 -20.029 -1.244) 20.072 44.895 ( 2.247 -26.517 -1.243) 26.642 97.694 ( -0.153 2.700 0.309) 2.722 97.759 ( 0.432 2.025 0.539) 2.140 99.934 ( 0.163 0.624 0.061) 0.648 100.001 ( 0.172 -0.154 -0.047) 0.236 ======================= Grid point 185 (85/315) ======================= q-point: (-0.18 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -10.569 13.587 9.361) 19.595 1.622 ( 0.347 18.960 3.791) 19.339 2.893 ( -11.780 17.605 -0.603) 21.191 3.051 ( -0.467 0.403 2.070) 2.160 3.251 ( 0.938 12.618 -2.869) 12.974 3.571 ( 4.877 -0.753 -5.372) 7.294 4.356 ( -13.783 -2.990 -2.493) 14.322 4.419 ( -8.847 0.149 -0.720) 8.878 5.274 ( 6.175 24.213 -1.050) 25.010 6.161 ( -1.294 1.082 -9.232) 9.385 6.736 ( 6.174 -5.434 2.231) 8.522 7.004 ( 7.750 -1.780 13.756) 15.889 9.156 ( -3.780 40.334 -2.010) 40.560 11.498 ( -1.424 25.806 0.763) 25.857 12.812 ( -2.347 27.709 -0.305) 27.809 13.668 ( -8.145 40.091 -2.191) 40.968 15.348 ( -26.708 -13.783 -5.932) 30.635 17.097 ( -0.858 -12.069 -0.178) 12.100 44.789 ( 0.665 -19.744 -1.073) 19.785 44.934 ( 1.966 -27.832 -1.283) 27.931 97.693 ( -0.039 2.730 0.305) 2.747 97.767 ( 0.265 2.022 0.524) 2.106 99.937 ( 0.190 0.640 0.019) 0.668 100.005 ( 0.195 -0.137 0.068) 0.248 ======================= Grid point 186 (86/315) ======================= q-point: (-0.09 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -4.881 17.341 10.396) 20.799 1.711 ( 5.448 23.654 4.601) 24.706 2.653 ( -10.119 28.116 2.653) 29.999 2.997 ( -4.030 2.446 -1.204) 4.865 3.277 ( 1.796 15.210 -3.851) 15.793 3.627 ( 2.703 -0.136 -5.435) 6.072 4.104 ( -11.140 -4.128 -1.682) 11.999 4.265 ( -5.621 -5.044 0.118) 7.553 5.369 ( 3.728 26.638 -2.864) 27.049 6.092 ( -2.537 4.682 -12.693) 13.765 6.820 ( 1.361 -4.351 5.586) 7.210 7.169 ( 4.562 4.266 10.833) 12.505 9.100 ( -1.025 33.677 -2.201) 33.765 11.469 ( -1.449 24.953 2.212) 25.093 12.842 ( 4.528 25.548 -1.273) 25.977 13.482 ( -9.193 33.731 -1.982) 35.018 14.856 ( -18.897 -6.889 -3.365) 20.393 17.088 ( -0.162 -12.535 -0.388) 12.542 44.800 ( 0.631 -19.701 -0.872) 19.731 44.964 ( 1.285 -28.858 -1.188) 28.911 97.693 ( 0.018 2.704 0.342) 2.726 97.772 ( 0.027 2.048 0.444) 2.096 99.941 ( 0.168 0.602 -0.006) 0.625 100.008 ( 0.122 -0.115 0.158) 0.230 ======================= Grid point 187 (87/315) ======================= q-point: ( 0.00 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -0.203 20.192 4.584) 20.706 2.231 ( -0.358 20.277 1.933) 20.372 3.013 ( 0.951 4.325 -0.978) 4.535 3.210 ( -0.028 24.986 3.355) 25.210 3.458 ( 6.121 -0.527 -9.190) 11.055 3.775 ( -4.588 0.738 0.684) 4.697 3.817 ( -1.738 4.099 -1.134) 4.594 4.086 ( 1.023 -6.941 1.836) 7.252 5.919 ( 0.290 21.378 -8.747) 23.100 6.102 ( -2.152 3.190 -9.439) 10.193 6.763 ( -2.939 -0.806 12.081) 12.459 7.341 ( -0.643 3.648 4.703) 5.987 9.796 ( 1.406 35.937 -0.978) 35.978 11.883 ( 1.289 13.314 4.911) 14.250 13.433 ( 0.363 25.524 -2.039) 25.608 13.974 ( 2.100 25.956 -0.627) 26.048 14.695 ( 1.166 5.453 0.076) 5.577 16.794 ( 0.396 -15.887 0.117) 15.892 44.374 ( -0.231 -22.998 -1.918) 23.079 44.397 ( 0.663 -24.149 -1.098) 24.183 97.752 ( -0.024 2.766 0.269) 2.779 97.813 ( -0.159 1.849 0.264) 1.875 99.955 ( 0.008 0.592 0.053) 0.595 100.007 ( -0.001 -0.239 0.294) 0.379 ======================= Grid point 188 (88/315) ======================= q-point: ( 0.09 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.199 18.175 4.947) 18.837 2.190 ( -4.074 20.423 4.040) 21.214 3.025 ( -0.250 1.193 -1.258) 1.752 3.198 ( 0.221 21.619 1.533) 21.675 3.557 ( 3.269 7.809 -8.787) 12.201 3.641 ( -6.141 -6.858 2.568) 9.557 3.959 ( 13.012 2.756 -2.591) 13.551 4.194 ( 9.499 -6.706 2.680) 11.933 5.841 ( -5.599 20.525 -8.343) 22.852 6.026 ( -2.736 3.574 -10.187) 11.137 6.688 ( -7.105 -0.549 8.959) 11.447 7.246 ( -9.705 2.635 4.511) 11.022 9.891 ( 7.583 37.399 0.161) 38.160 11.955 ( 3.801 14.418 5.365) 15.847 13.395 ( -0.672 27.859 -0.038) 27.867 14.208 ( 17.199 30.930 -0.874) 35.401 14.831 ( 13.225 -1.154 0.419) 13.282 16.811 ( 1.155 -14.534 0.254) 14.582 44.361 ( -0.546 -23.657 -1.850) 23.736 44.402 ( 0.203 -23.448 -1.161) 23.478 97.752 ( -0.067 2.724 0.279) 2.739 97.808 ( -0.339 1.885 0.189) 1.925 99.954 ( -0.136 0.601 0.062) 0.619 100.006 ( -0.107 -0.244 0.305) 0.405 ======================= Grid point 189 (89/315) ======================= q-point: ( 0.18 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 2.935 14.498 5.435) 15.759 2.116 ( -3.808 18.455 7.253) 20.191 2.992 ( -2.677 -1.828 -0.422) 3.269 3.240 ( 3.397 15.893 -2.516) 16.445 3.525 ( -6.747 -8.920 2.720) 11.510 3.539 ( -2.066 11.303 -5.999) 12.962 4.233 ( 13.505 -1.771 -2.181) 13.794 4.474 ( 17.074 -6.758 2.818) 18.578 5.665 ( -9.563 19.028 -6.966) 22.406 5.943 ( -2.767 3.195 -9.785) 10.658 6.545 ( -8.823 -0.567 3.892) 9.660 7.014 ( -13.937 -0.386 5.286) 14.911 10.062 ( 8.688 40.087 0.958) 41.029 12.030 ( 1.829 16.479 4.458) 17.169 13.474 ( 8.704 30.856 2.178) 32.134 14.513 ( 12.398 38.604 -1.533) 40.575 15.237 ( 26.477 -9.429 -0.039) 28.106 16.836 ( 1.266 -12.059 -0.289) 12.129 44.344 ( -0.656 -23.695 -1.762) 23.769 44.399 ( -0.198 -22.760 -1.232) 22.794 97.751 ( -0.076 2.667 0.290) 2.684 97.801 ( -0.434 1.912 0.165) 1.968 99.950 ( -0.242 0.610 0.059) 0.659 100.005 ( -0.159 -0.261 0.277) 0.412 ======================= Grid point 190 (90/315) ======================= q-point: ( 0.27 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 4.371 13.653 5.723) 15.435 2.127 ( 3.737 10.664 7.355) 13.482 2.914 ( -5.304 -4.866 -0.001) 7.198 3.283 ( -0.471 9.926 -1.121) 10.000 3.389 ( -6.121 -6.513 1.939) 9.146 3.474 ( -2.378 10.147 -4.430) 11.324 4.465 ( 10.498 -2.650 -1.097) 10.883 4.831 ( 16.810 -9.310 2.695) 19.404 5.445 ( -10.306 17.515 -5.282) 20.997 5.862 ( -2.974 2.268 -9.082) 9.822 6.368 ( -9.124 0.404 -0.020) 9.133 6.764 ( -11.918 -3.941 5.793) 13.825 10.218 ( 6.403 42.094 1.328) 42.598 12.050 ( -0.679 17.977 3.375) 18.304 13.735 ( 15.988 34.471 2.816) 38.102 14.688 ( 5.863 40.103 -2.234) 40.591 15.788 ( 26.488 -8.955 0.065) 27.961 16.863 ( 2.120 -9.861 -2.023) 10.287 44.327 ( -0.532 -23.379 -1.662) 23.444 44.389 ( -0.396 -22.047 -1.284) 22.088 97.751 ( -0.035 2.603 0.301) 2.621 97.792 ( -0.442 1.926 0.200) 1.986 99.945 ( -0.264 0.600 0.061) 0.658 100.002 ( -0.167 -0.283 0.199) 0.384 ======================= Grid point 191 (91/315) ======================= q-point: ( 0.36 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 6.807 12.182 5.013) 14.828 2.282 ( 8.894 3.023 4.161) 10.274 2.777 ( -8.405 -5.605 -1.548) 10.220 3.135 ( -12.374 -3.939 6.888) 14.699 3.367 ( 1.117 6.432 -1.810) 6.774 3.446 ( 0.990 7.055 -1.753) 7.337 4.653 ( 8.797 -1.676 0.380) 8.964 5.081 ( 2.949 -11.230 1.795) 11.749 5.289 ( 0.489 14.600 -3.425) 15.004 5.763 ( -4.815 1.624 -7.951) 9.436 6.211 ( -5.771 0.844 -1.021) 5.921 6.590 ( -6.984 -6.031 4.603) 10.312 10.320 ( 3.492 43.261 1.442) 43.426 12.033 ( -1.572 18.576 2.561) 18.817 14.082 ( 17.304 37.553 1.878) 41.390 14.731 ( -0.906 41.081 -3.160) 41.213 16.199 ( 13.062 -6.367 1.402) 14.598 16.933 ( 6.378 -9.238 -4.965) 12.275 44.315 ( -0.213 -22.938 -1.531) 22.990 44.377 ( -0.365 -21.431 -1.340) 21.476 97.751 ( 0.026 2.545 0.313) 2.564 97.785 ( -0.356 1.936 0.275) 1.987 99.941 ( -0.192 0.577 0.085) 0.615 99.999 ( -0.151 -0.300 0.080) 0.345 ======================= Grid point 192 (92/315) ======================= q-point: ( 0.45 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 8.626 8.225 3.458) 12.410 2.465 ( 8.366 -0.482 0.689) 8.408 2.570 ( -11.515 -3.779 -3.756) 12.688 2.897 ( -12.518 -3.983 7.427) 15.090 3.385 ( 1.028 7.276 0.709) 7.382 3.503 ( 4.086 4.415 2.774) 6.624 4.823 ( 7.920 0.035 1.692) 8.099 4.976 ( -7.738 0.728 0.064) 7.773 5.412 ( 5.192 -0.882 -2.958) 6.040 5.661 ( -0.992 1.519 -4.535) 4.884 6.143 ( -1.239 -0.093 -0.938) 1.557 6.508 ( -2.564 -6.607 3.396) 7.859 10.365 ( 0.672 43.955 1.321) 43.979 12.009 ( -1.290 18.598 1.875) 18.737 14.381 ( 9.975 38.135 -0.055) 39.418 14.646 ( -4.885 42.829 -3.591) 43.256 16.316 ( -0.134 -5.363 0.611) 5.399 17.060 ( 6.117 -9.150 -5.774) 12.429 44.311 ( 0.200 -22.616 -1.362) 22.658 44.368 ( -0.140 -21.004 -1.436) 21.053 97.753 ( 0.016 2.509 0.326) 2.530 97.781 ( -0.130 1.945 0.360) 1.982 99.938 ( -0.054 0.560 0.128) 0.578 99.996 ( -0.117 -0.305 -0.047) 0.330 ======================= Grid point 193 (93/315) ======================= q-point: (-0.45 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -11.553 3.096 -1.190) 12.020 2.357 ( -3.252 3.941 3.231) 6.046 2.616 ( 7.057 -4.132 -1.022) 8.241 2.760 ( 0.295 -2.653 2.537) 3.683 3.415 ( 1.655 7.744 1.768) 8.114 3.594 ( 3.161 4.514 5.214) 7.587 4.818 ( -6.890 2.155 1.798) 7.439 4.985 ( 5.580 -3.507 -0.054) 6.591 5.374 ( -4.385 7.585 -3.396) 9.396 5.785 ( 12.039 -4.062 -1.776) 12.829 6.138 ( 0.610 -1.112 -0.164) 1.279 6.503 ( 1.063 -6.827 3.497) 7.744 10.354 ( -2.066 44.326 0.992) 44.385 11.995 ( -0.582 18.369 1.264) 18.421 14.296 ( -14.420 37.387 -3.458) 40.220 14.688 ( 6.373 42.886 -1.848) 43.397 16.240 ( -6.896 -6.635 -2.532) 9.899 17.096 ( -1.361 -9.060 -4.138) 10.053 44.315 ( 0.584 -22.535 -1.178) 22.573 44.365 ( 0.199 -20.873 -1.588) 20.935 97.753 ( -0.095 2.519 0.335) 2.543 97.783 ( 0.203 1.939 0.427) 1.996 99.939 ( 0.089 0.563 0.166) 0.594 99.995 ( -0.047 -0.300 -0.128) 0.329 ======================= Grid point 194 (94/315) ======================= q-point: (-0.36 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -9.076 7.237 -1.960) 11.772 2.200 ( -12.097 7.267 8.441) 16.444 2.767 ( 8.012 -4.843 -1.163) 9.434 2.881 ( 9.021 -4.009 -2.647) 10.221 3.463 ( 2.699 9.354 1.717) 9.886 3.636 ( -0.299 6.752 4.291) 8.005 4.693 ( -6.561 0.421 2.753) 7.128 4.947 ( -9.766 -7.355 -4.642) 13.077 5.387 ( 6.878 18.088 1.537) 19.412 6.063 ( 15.442 -5.013 -5.158) 17.035 6.163 ( 2.152 -2.245 3.301) 4.536 6.566 ( 4.047 -6.837 5.370) 9.590 10.289 ( -4.699 44.233 0.462) 44.484 11.990 ( -0.290 17.992 0.812) 18.013 13.946 ( -18.336 35.056 -3.443) 39.712 14.755 ( 0.375 41.597 -2.217) 41.657 16.015 ( -15.216 -9.153 -5.733) 18.659 17.008 ( -5.583 -9.584 -1.944) 11.261 44.327 ( 0.866 -22.599 -1.029) 22.639 44.367 ( 0.514 -21.186 -1.768) 21.266 97.751 ( -0.128 2.590 0.325) 2.614 97.790 ( 0.404 1.900 0.469) 1.998 99.942 ( 0.173 0.587 0.164) 0.634 99.994 ( 0.066 -0.290 -0.116) 0.320 ======================= Grid point 195 (95/315) ======================= q-point: (-0.27 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -1.325 14.056 -0.251) 14.121 1.990 ( -10.295 11.276 8.322) 17.389 2.909 ( 6.162 -3.871 0.048) 7.277 3.045 ( 7.914 -4.930 -5.400) 10.775 3.512 ( 0.259 11.963 2.813) 12.292 3.626 ( 0.204 8.820 0.805) 8.859 4.550 ( -9.579 -1.757 2.790) 10.131 4.663 ( -15.350 -3.272 -4.280) 16.268 5.570 ( 9.855 19.982 0.110) 22.280 6.171 ( 1.706 -0.317 -3.987) 4.348 6.398 ( 14.161 -6.541 1.637) 15.685 6.708 ( 9.149 -5.160 8.667) 13.618 10.170 ( -7.305 43.259 -0.336) 43.873 11.980 ( -1.149 17.269 0.712) 17.322 13.598 ( -14.728 31.151 -2.489) 34.547 14.688 ( -6.358 40.523 -2.418) 41.090 15.602 ( -23.828 -11.490 -6.643) 27.275 16.900 ( -4.385 -11.154 -0.811) 12.012 44.343 ( 1.044 -22.598 -0.958) 22.643 44.374 ( 0.642 -22.021 -1.918) 22.114 97.750 ( -0.072 2.689 0.298) 2.707 97.800 ( 0.410 1.849 0.477) 1.953 99.946 ( 0.187 0.616 0.116) 0.654 99.997 ( 0.179 -0.278 -0.008) 0.331 ======================= Grid point 196 (96/315) ======================= q-point: (-0.18 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -5.572 15.726 5.758) 17.650 2.023 ( 6.114 19.051 2.627) 20.180 3.000 ( 2.741 -1.483 -0.192) 3.123 3.146 ( 3.487 0.588 -5.890) 6.870 3.470 ( -3.480 11.264 2.612) 12.076 3.681 ( 4.089 10.000 -1.704) 10.937 4.288 ( -14.765 -2.886 -2.275) 15.215 4.393 ( -12.543 -2.356 2.132) 12.940 5.752 ( 8.624 21.478 -3.610) 23.425 6.180 ( 0.441 0.794 -5.228) 5.307 6.615 ( 7.072 -5.822 6.102) 11.007 6.978 ( 14.183 -1.213 7.913) 16.286 10.004 ( -8.709 40.908 -1.253) 41.844 11.943 ( -2.845 15.877 1.379) 16.189 13.386 ( -5.592 27.425 -1.390) 28.023 14.487 ( -13.411 38.142 -2.971) 40.540 15.105 ( -22.205 -9.910 -4.502) 24.729 16.832 ( -2.404 -13.509 -0.574) 13.734 44.362 ( 1.098 -22.274 -0.968) 22.322 44.381 ( 0.515 -23.380 -1.991) 23.470 97.750 ( -0.007 2.761 0.274) 2.775 97.808 ( 0.277 1.819 0.440) 1.891 99.950 ( 0.171 0.624 0.064) 0.650 100.001 ( 0.208 -0.261 0.134) 0.359 ======================= Grid point 197 (97/315) ======================= q-point: (-0.09 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -1.427 19.164 4.587) 19.757 2.168 ( 6.050 20.378 2.872) 21.450 3.015 ( -0.469 3.115 -1.329) 3.419 3.173 ( 1.755 14.284 -2.200) 14.558 3.431 ( -0.515 3.250 -2.056) 3.880 3.746 ( 2.835 10.869 -2.077) 11.423 4.026 ( -11.777 -2.969 -1.057) 12.192 4.159 ( -9.672 -5.001 2.605) 11.196 5.881 ( 5.501 21.870 -7.120) 23.649 6.158 ( -0.986 2.146 -7.577) 7.936 6.734 ( 2.489 -3.065 11.130) 11.810 7.241 ( 9.044 2.083 5.920) 11.008 9.847 ( -5.807 37.645 -1.619) 38.125 11.888 ( -2.616 14.110 3.089) 14.679 13.369 ( 3.470 25.127 -1.285) 25.398 14.160 ( -16.411 29.621 -2.896) 33.987 14.777 ( -9.656 0.778 -1.322) 9.777 16.799 ( -0.889 -15.446 -0.282) 15.474 44.378 ( 0.545 -20.455 -1.477) 20.516 44.385 ( 0.618 -26.136 -1.530) 26.188 97.751 ( 0.010 2.783 0.265) 2.796 97.813 ( 0.067 1.821 0.361) 1.858 99.953 ( 0.121 0.607 0.046) 0.621 100.005 ( 0.128 -0.246 0.240) 0.367 ======================= Grid point 198 (98/315) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.062 20.077 -0.328) 20.080 2.606 ( 0.174 16.019 0.437) 16.026 3.051 ( -0.087 -0.663 -1.148) 1.329 3.325 ( 7.866 -10.343 -8.794) 15.691 3.625 ( 0.995 12.185 2.232) 12.428 3.766 ( -12.402 3.411 4.359) 13.581 3.956 ( 2.321 -4.190 1.243) 4.949 3.992 ( 0.728 6.913 -1.598) 7.133 6.152 ( -1.590 2.093 -8.506) 8.903 6.211 ( -0.302 6.169 -11.637) 13.175 6.845 ( -2.109 9.325 15.217) 17.971 7.365 ( -0.485 -1.454 5.174) 5.397 10.540 ( 1.407 35.320 0.036) 35.348 11.980 ( 1.454 -4.138 4.443) 6.242 13.914 ( 1.952 20.529 -1.156) 20.654 14.345 ( 2.202 9.171 -1.234) 9.512 14.979 ( 0.339 21.881 1.254) 21.920 16.430 ( 0.643 -19.465 0.717) 19.488 43.925 ( 0.002 -17.263 -2.129) 17.394 43.992 ( 0.326 -16.685 -1.823) 16.787 97.804 ( -0.049 2.243 0.230) 2.255 97.844 ( -0.121 1.081 0.231) 1.112 99.967 ( -0.002 0.600 0.117) 0.612 100.000 ( -0.008 -0.392 0.322) 0.507 ======================= Grid point 199 (99/315) ======================= q-point: ( 0.09 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -2.310 18.369 -0.175) 18.514 2.570 ( -4.030 16.254 2.408) 16.918 3.016 ( -3.056 -2.507 -1.249) 4.146 3.376 ( -0.464 -9.531 -4.599) 10.593 3.582 ( -6.111 9.682 3.866) 12.084 3.711 ( 4.255 4.231 -3.205) 6.803 4.040 ( 6.162 2.794 -0.258) 6.771 4.088 ( 9.745 -1.621 0.377) 9.886 6.083 ( -2.903 2.328 -8.693) 9.456 6.132 ( -4.564 6.870 -11.799) 14.396 6.760 ( -9.487 8.150 13.137) 18.138 7.255 ( -11.272 -1.886 4.820) 12.403 10.658 ( 9.253 36.072 1.024) 37.253 12.078 ( 6.077 -2.870 5.228) 8.515 13.930 ( 2.230 23.338 1.199) 23.475 14.591 ( 20.389 3.919 -0.675) 20.773 15.057 ( 6.806 24.095 1.087) 25.062 16.478 ( 3.687 -17.858 0.928) 18.258 43.919 ( -0.036 -17.030 -2.255) 17.179 43.992 ( 0.186 -16.858 -1.799) 16.954 97.803 ( -0.119 2.198 0.223) 2.212 97.840 ( -0.294 1.120 0.179) 1.172 99.966 ( -0.134 0.604 0.121) 0.630 100.000 ( -0.127 -0.403 0.329) 0.536 ======================= Grid point 200 (100/315) ======================= q-point: ( 0.18 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -0.281 14.889 0.745) 14.910 2.471 ( -6.388 15.317 5.656) 17.533 2.930 ( -5.263 -4.225 -0.550) 6.772 3.307 ( -5.680 -10.669 1.607) 12.193 3.526 ( -0.665 10.905 -1.525) 11.031 3.721 ( -1.654 5.369 -3.942) 6.863 4.211 ( 10.250 -0.118 -1.806) 10.408 4.345 ( 14.904 -5.332 0.897) 15.855 5.966 ( -8.765 9.026 -9.988) 16.064 5.995 ( -3.603 2.334 -8.301) 9.346 6.581 ( -10.702 4.820 9.140) 14.876 6.985 ( -16.069 -2.738 4.841) 17.005 10.863 ( 9.991 36.778 1.431) 38.137 12.203 ( 4.270 -0.216 4.658) 6.323 14.072 ( 11.853 26.570 3.227) 29.273 15.064 ( 24.095 -7.900 0.911) 25.373 15.244 ( 13.130 31.665 -1.242) 34.302 16.566 ( 4.716 -14.204 0.173) 14.968 43.913 ( 0.049 -16.561 -2.227) 16.711 43.989 ( 0.053 -16.846 -1.783) 16.940 97.801 ( -0.145 2.124 0.231) 2.141 97.833 ( -0.394 1.173 0.168) 1.249 99.963 ( -0.243 0.613 0.109) 0.668 99.997 ( -0.190 -0.428 0.296) 0.554 ======================= Grid point 201 (101/315) ======================= q-point: ( 0.27 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 4.316 11.262 2.003) 12.226 2.377 ( -4.296 12.613 7.083) 15.090 2.810 ( -6.529 -5.118 -0.467) 8.309 3.171 ( -8.831 -10.357 5.976) 14.865 3.517 ( 0.292 9.192 -4.132) 10.082 3.657 ( -3.270 6.274 -3.130) 7.737 4.407 ( 9.675 -2.111 -1.607) 10.032 4.637 ( 13.100 -8.976 1.026) 15.913 5.749 ( -9.921 11.088 -6.611) 16.281 5.898 ( -4.070 1.347 -7.524) 8.660 6.403 ( -8.961 3.097 4.323) 10.420 6.691 ( -13.795 -3.449 4.600) 14.945 11.036 ( 6.816 36.589 1.521) 37.250 12.262 ( 0.779 2.114 3.675) 4.311 14.396 ( 18.766 29.106 3.556) 34.813 15.351 ( 7.770 16.341 -0.253) 18.096 15.681 ( 25.817 5.419 -1.066) 26.401 16.656 ( 4.488 -10.487 -1.807) 11.549 43.909 ( 0.199 -16.008 -2.083) 16.144 43.985 ( -0.001 -16.660 -1.749) 16.752 97.799 ( -0.111 2.033 0.251) 2.052 97.826 ( -0.405 1.231 0.201) 1.312 99.958 ( -0.275 0.623 0.100) 0.688 99.994 ( -0.199 -0.463 0.218) 0.549 ======================= Grid point 202 (102/315) ======================= q-point: ( 0.36 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 4.723 11.412 4.300) 13.078 2.358 ( 2.184 4.632 4.090) 6.554 2.671 ( -7.324 -4.450 -0.865) 8.614 2.995 ( -10.501 -8.222 7.624) 15.362 3.516 ( 0.621 7.198 -2.396) 7.611 3.597 ( -1.613 5.976 -1.463) 6.360 4.584 ( 8.437 -3.508 -0.181) 9.139 4.831 ( 5.348 -11.375 1.123) 12.619 5.574 ( -5.278 11.217 -4.185) 13.084 5.793 ( -4.552 0.903 -5.574) 7.253 6.258 ( -6.058 3.355 1.122) 7.015 6.488 ( -7.605 -4.028 3.055) 9.132 11.142 ( 3.532 35.909 1.530) 36.115 12.266 ( -0.987 3.524 2.794) 4.604 14.786 ( 18.384 30.132 2.262) 35.370 15.442 ( 1.726 25.125 -2.829) 25.343 16.097 ( 14.114 -1.732 0.939) 14.250 16.748 ( 6.293 -8.993 -4.944) 12.038 43.909 ( 0.342 -15.532 -1.875) 15.649 43.980 ( 0.043 -16.379 -1.694) 16.466 97.798 ( -0.039 1.941 0.278) 1.962 97.819 ( -0.320 1.291 0.266) 1.356 99.953 ( -0.209 0.625 0.110) 0.668 99.991 ( -0.171 -0.491 0.109) 0.531 ======================= Grid point 203 (103/315) ======================= q-point: ( 0.45 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 3.176 4.572 3.783) 6.731 2.472 ( 2.784 0.616 -1.272) 3.122 2.522 ( -4.993 0.718 1.718) 5.329 2.813 ( -9.260 -4.060 7.198) 12.411 3.531 ( 1.233 6.484 0.447) 6.616 3.601 ( 2.190 4.319 1.569) 5.091 4.740 ( 6.966 -5.555 1.024) 8.969 4.848 ( -3.169 -9.202 1.537) 9.853 5.530 ( 1.173 8.151 -3.225) 8.844 5.713 ( -1.208 2.011 -2.772) 3.631 6.176 ( -2.390 3.090 -0.561) 3.946 6.396 ( -2.598 -4.307 1.432) 5.230 11.188 ( 0.755 35.385 1.426) 35.421 12.249 ( -1.249 4.146 1.979) 4.761 15.071 ( 7.310 28.430 -0.246) 29.355 15.420 ( -1.073 30.309 -3.965) 30.586 16.226 ( -0.179 -2.358 0.012) 2.365 16.867 ( 5.869 -9.864 -5.910) 12.911 43.912 ( 0.429 -15.270 -1.657) 15.366 43.978 ( 0.158 -16.107 -1.649) 16.191 97.799 ( -0.006 1.879 0.303) 1.903 97.815 ( -0.114 1.333 0.341) 1.381 99.951 ( -0.068 0.615 0.137) 0.633 99.988 ( -0.115 -0.493 0.001) 0.506 ======================= Grid point 204 (104/315) ======================= q-point: (-0.45 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -7.037 1.979 -1.674) 7.500 2.468 ( 1.180 3.684 4.476) 5.916 2.546 ( 0.240 -0.999 1.612) 1.912 2.725 ( 0.680 -1.230 3.009) 3.321 3.571 ( 2.583 6.872 1.802) 7.559 3.677 ( 3.896 3.205 4.189) 6.557 4.759 ( -5.568 -5.349 2.392) 8.083 4.843 ( 2.243 -7.860 0.644) 8.199 5.568 ( 3.566 8.840 -0.933) 9.577 5.772 ( 7.899 0.744 -1.639) 8.101 6.151 ( -0.099 2.377 -1.106) 2.624 6.385 ( 0.958 -4.738 1.097) 4.957 11.181 ( -1.862 35.360 1.188) 35.429 12.231 ( -0.904 4.120 1.261) 4.402 14.978 ( -13.945 28.314 -4.012) 31.816 15.455 ( 3.376 29.062 -2.384) 29.355 16.135 ( -7.942 -1.958 -3.823) 9.029 16.902 ( -1.257 -10.080 -4.277) 11.022 43.917 ( 0.454 -15.292 -1.478) 15.370 43.978 ( 0.291 -15.939 -1.653) 16.027 97.799 ( -0.039 1.895 0.321) 1.922 97.817 ( 0.169 1.318 0.400) 1.388 99.951 ( 0.086 0.594 0.167) 0.623 99.987 ( -0.030 -0.464 -0.066) 0.470 ======================= Grid point 205 (105/315) ======================= q-point: (-0.36 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -2.433 8.332 -0.465) 8.693 2.366 ( -8.513 8.521 6.652) 13.760 2.660 ( 8.182 -5.420 -0.751) 9.844 2.799 ( 5.060 -4.270 -0.694) 6.657 3.644 ( 4.057 7.685 2.292) 8.987 3.754 ( 2.309 4.331 4.140) 6.421 4.649 ( -6.466 -3.091 3.190) 7.844 4.797 ( -7.024 -7.090 -0.928) 10.023 5.703 ( 9.870 12.026 1.570) 15.637 5.993 ( 14.026 -2.367 -1.953) 14.358 6.160 ( 1.105 1.864 -0.585) 2.245 6.442 ( 4.582 -5.275 2.590) 7.452 11.120 ( -4.625 35.825 0.770) 36.131 12.217 ( -1.017 3.491 0.778) 3.718 14.608 ( -20.422 28.578 -4.717) 35.440 15.454 ( -3.640 20.350 -1.996) 20.769 15.892 ( -15.078 2.198 -7.287) 16.890 16.811 ( -6.232 -9.869 -2.394) 11.915 43.922 ( 0.441 -15.596 -1.384) 15.663 43.980 ( 0.386 -15.920 -1.719) 16.017 97.800 ( -0.017 1.991 0.325) 2.017 97.823 ( 0.335 1.242 0.427) 1.356 99.954 ( 0.183 0.578 0.174) 0.630 99.987 ( 0.084 -0.422 -0.055) 0.433 ======================= Grid point 206 (106/315) ======================= q-point: (-0.27 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -5.667 12.214 4.751) 14.278 2.251 ( 3.934 13.349 1.126) 13.962 2.820 ( 7.548 -4.868 0.319) 8.988 2.909 ( 6.609 -7.967 -4.061) 11.120 3.726 ( 2.063 8.417 3.741) 9.440 3.793 ( 1.816 6.484 1.397) 6.877 4.501 ( -9.997 -2.123 2.484) 10.517 4.588 ( -12.477 -3.858 -0.662) 13.077 5.930 ( 11.745 13.978 -1.879) 18.354 6.181 ( 2.047 1.483 -3.628) 4.422 6.282 ( 12.889 -4.265 4.216) 14.215 6.610 ( 12.141 -4.750 5.598) 14.188 10.997 ( -7.942 36.393 0.066) 37.249 12.186 ( -2.603 2.144 0.669) 3.438 14.201 ( -17.913 26.858 -3.943) 32.523 15.284 ( -13.624 -1.096 -2.979) 13.989 15.527 ( -17.692 21.467 -6.583) 28.587 16.671 ( -6.841 -11.317 -1.441) 13.302 43.926 ( 0.404 -16.114 -1.414) 16.181 43.983 ( 0.419 -16.021 -1.815) 16.129 97.801 ( 0.035 2.110 0.309) 2.133 97.832 ( 0.353 1.155 0.419) 1.278 99.959 ( 0.199 0.578 0.144) 0.628 99.990 ( 0.190 -0.392 0.042) 0.438 ======================= Grid point 207 (107/315) ======================= q-point: (-0.18 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -1.088 15.963 2.361) 16.173 2.385 ( 8.254 15.721 1.921) 17.860 2.950 ( 5.352 -3.815 0.582) 6.598 3.034 ( 7.300 -8.652 -6.794) 13.202 3.713 ( -3.280 10.370 4.184) 11.653 3.861 ( 3.879 6.157 -0.122) 7.278 4.255 ( -13.642 -0.120 -0.809) 13.667 4.340 ( -13.123 -2.410 2.534) 13.581 6.115 ( 7.975 11.532 -9.600) 16.993 6.203 ( 1.218 2.170 -3.643) 4.412 6.531 ( 10.507 -0.665 11.842) 15.845 6.934 ( 16.913 -3.510 6.091) 18.315 10.808 ( -10.539 36.387 -0.727) 37.889 12.110 ( -5.201 -0.169 1.206) 5.341 13.923 ( -8.479 24.201 -2.549) 25.770 14.899 ( -21.299 -8.270 -5.489) 23.498 15.229 ( -11.645 30.813 -1.577) 32.977 16.542 ( -5.620 -14.687 -0.903) 15.751 43.930 ( 0.312 -16.707 -1.588) 16.785 43.986 ( 0.416 -16.192 -1.879) 16.306 97.802 ( 0.055 2.203 0.280) 2.222 97.839 ( 0.256 1.092 0.376) 1.183 99.963 ( 0.167 0.590 0.110) 0.623 99.994 ( 0.212 -0.384 0.173) 0.471 ======================= Grid point 208 (108/315) ======================= q-point: (-0.09 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 1.613 18.968 0.318) 19.039 2.544 ( 6.061 15.996 1.535) 17.175 3.030 ( 2.515 -1.534 -0.484) 2.986 3.168 ( 8.758 -8.648 -8.577) 15.002 3.652 ( -3.528 11.913 4.166) 13.104 3.922 ( 2.155 2.980 -0.248) 3.685 4.011 ( -11.081 2.794 0.621) 11.445 4.082 ( -11.526 -1.166 1.640) 11.701 6.185 ( 1.449 3.111 -10.092) 10.659 6.215 ( 2.060 6.691 -8.051) 10.669 6.751 ( 6.793 6.154 15.530) 18.033 7.241 ( 11.031 -2.223 5.711) 12.619 10.611 ( -7.809 35.651 -0.836) 36.505 12.008 ( -4.663 -2.892 2.661) 6.098 13.856 ( 1.710 21.600 -1.690) 21.733 14.507 ( -15.340 3.269 -3.651) 16.104 15.042 ( -6.727 24.483 0.379) 25.393 16.453 ( -3.012 -18.107 -0.090) 18.356 43.930 ( 0.151 -17.153 -1.868) 17.255 43.989 ( 0.398 -16.422 -1.868) 16.533 97.804 ( 0.022 2.248 0.251) 2.262 97.843 ( 0.081 1.068 0.306) 1.114 99.966 ( 0.104 0.599 0.105) 0.617 99.998 ( 0.128 -0.387 0.272) 0.490 ======================= Grid point 209 (109/315) ======================= q-point: ( 0.00 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.113 17.944 -3.732) 18.328 2.869 ( -0.760 4.767 -3.076) 5.724 2.961 ( 2.001 -4.640 -1.330) 5.225 3.105 ( 5.442 -9.462 -3.196) 11.373 3.726 ( -3.285 2.718 2.976) 5.199 3.792 ( -5.532 -3.341 4.787) 8.042 4.005 ( 0.362 6.640 -1.233) 6.763 4.075 ( 0.339 0.406 -1.451) 1.545 6.195 ( -1.322 2.204 -7.884) 8.293 6.238 ( -0.951 -1.506 -8.996) 9.171 7.082 ( -1.137 11.602 10.799) 15.890 7.278 ( -0.679 -7.008 7.309) 10.149 11.218 ( 1.550 29.597 1.397) 29.670 11.730 ( 1.589 -19.311 2.982) 19.605 14.256 ( 2.529 12.188 -0.710) 12.468 14.406 ( 2.355 -2.332 -0.747) 3.398 15.488 ( 0.331 25.490 1.346) 25.528 15.992 ( 0.551 -22.971 1.135) 23.005 43.697 ( 0.091 -4.631 -2.268) 5.157 43.732 ( 0.191 -7.729 -2.193) 8.036 97.841 ( -0.072 1.255 0.219) 1.276 97.855 ( -0.094 -0.046 0.219) 0.243 99.979 ( -0.009 0.581 0.200) 0.615 99.991 ( -0.011 -0.515 0.282) 0.587 ======================= Grid point 210 (110/315) ======================= q-point: ( 0.09 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -4.597 16.142 -3.445) 17.134 2.789 ( -5.881 -2.006 -3.014) 6.906 2.963 ( -1.830 4.055 1.524) 4.702 3.155 ( -0.698 -10.625 0.314) 10.653 3.702 ( -0.744 3.202 1.336) 3.548 3.750 ( 0.910 -1.027 0.059) 1.373 4.074 ( 6.425 3.068 -1.186) 7.219 4.114 ( 4.506 0.188 -1.875) 4.884 6.130 ( -2.974 2.313 -8.297) 9.113 6.171 ( -3.298 -1.183 -9.455) 10.083 6.975 ( -11.445 10.916 9.902) 18.660 7.164 ( -11.845 -6.946 6.752) 15.302 11.343 ( 9.420 29.660 2.399) 31.213 11.849 ( 8.286 -18.615 3.963) 20.757 14.332 ( 6.314 15.300 1.495) 16.619 14.553 ( 11.923 -6.228 0.833) 13.477 15.591 ( 9.012 25.250 0.918) 26.826 16.073 ( 6.823 -21.473 1.088) 22.557 43.693 ( 0.213 -4.537 -2.375) 5.125 43.730 ( 0.226 -7.797 -2.246) 8.117 97.839 ( -0.179 1.212 0.197) 1.241 97.852 ( -0.240 -0.006 0.183) 0.302 99.979 ( -0.138 0.588 0.202) 0.637 99.990 ( -0.138 -0.525 0.286) 0.614 ======================= Grid point 211 (111/315) ======================= q-point: ( 0.18 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -3.569 13.408 -2.252) 14.056 2.655 ( -6.265 -2.748 -1.253) 6.955 2.891 ( -6.125 5.574 4.442) 9.398 3.087 ( -6.278 -10.581 4.701) 13.171 3.693 ( -0.373 5.557 -2.051) 5.935 3.763 ( -0.376 -1.047 -2.829) 3.040 4.226 ( 8.738 1.373 -1.839) 9.035 4.265 ( 10.680 -2.562 -1.323) 11.062 6.034 ( -4.413 1.791 -8.049) 9.352 6.055 ( -5.857 0.460 -9.074) 10.810 6.733 ( -14.227 8.622 8.474) 18.670 6.893 ( -16.015 -6.303 6.149) 18.276 11.548 ( 9.275 28.887 2.504) 30.442 12.024 ( 7.146 -16.588 3.777) 18.452 14.549 ( 14.980 19.378 3.284) 24.712 14.869 ( 18.886 -11.863 2.364) 22.428 15.816 ( 12.822 23.858 -0.827) 27.098 16.241 ( 9.208 -17.743 -0.120) 19.991 43.693 ( 0.371 -4.449 -2.352) 5.046 43.729 ( 0.277 -7.708 -2.221) 8.026 97.835 ( -0.233 1.135 0.198) 1.175 97.847 ( -0.323 0.065 0.180) 0.375 99.975 ( -0.236 0.603 0.182) 0.673 99.987 ( -0.218 -0.548 0.255) 0.643 ======================= Grid point 212 (112/315) ======================= q-point: ( 0.27 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.420 9.642 -0.789) 9.683 2.552 ( -3.872 -0.396 0.591) 3.937 2.761 ( -7.715 4.721 5.444) 10.557 2.953 ( -8.416 -10.708 7.165) 15.389 3.668 ( -1.339 5.153 -3.184) 6.203 3.722 ( -2.443 0.099 -2.955) 3.836 4.401 ( 8.821 1.730 -1.431) 9.102 4.480 ( 10.168 -5.901 -0.519) 11.767 5.892 ( -7.623 3.280 -6.899) 10.792 5.917 ( -5.499 0.253 -6.986) 8.894 6.497 ( -10.938 5.584 5.531) 13.469 6.608 ( -13.239 -4.804 4.788) 14.875 11.701 ( 5.406 27.259 2.223) 27.878 12.134 ( 3.079 -14.179 3.121) 14.841 14.919 ( 20.079 21.351 3.522) 29.520 15.274 ( 19.783 -13.039 2.744) 23.852 16.064 ( 11.957 20.344 -2.659) 23.747 16.412 ( 7.965 -13.743 -2.136) 16.027 43.695 ( 0.504 -4.403 -2.216) 4.955 43.729 ( 0.335 -7.485 -2.116) 7.785 97.831 ( -0.215 1.033 0.223) 1.078 97.841 ( -0.323 0.156 0.208) 0.415 99.971 ( -0.263 0.629 0.150) 0.698 99.983 ( -0.235 -0.584 0.197) 0.660 ======================= Grid point 213 (113/315) ======================= q-point: ( 0.36 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.999 4.346 0.601) 4.500 2.500 ( -1.658 1.624 0.889) 2.485 2.638 ( -5.476 4.843 5.575) 9.194 2.813 ( -7.052 -9.318 7.537) 13.905 3.636 ( -0.802 4.034 -1.726) 4.460 3.670 ( -1.722 0.947 -1.500) 2.472 4.552 ( 6.474 1.058 -0.002) 6.560 4.637 ( 5.272 -7.035 0.382) 8.800 5.738 ( -5.615 4.856 -4.412) 8.636 5.793 ( -4.840 -1.009 -4.714) 6.831 6.336 ( -6.360 3.957 2.111) 7.782 6.414 ( -7.318 -3.526 2.387) 8.467 11.780 ( 2.240 25.504 1.898) 25.672 12.174 ( 0.447 -12.214 2.445) 12.464 15.309 ( 17.029 20.401 2.203) 26.665 15.609 ( 12.309 -7.277 1.073) 14.340 16.254 ( 7.379 14.895 -3.098) 16.909 16.540 ( 6.045 -11.785 -4.511) 13.992 43.700 ( 0.553 -4.400 -2.015) 4.871 43.731 ( 0.381 -7.212 -1.957) 7.483 97.828 ( -0.136 0.924 0.262) 0.970 97.835 ( -0.240 0.254 0.260) 0.435 99.966 ( -0.207 0.650 0.123) 0.693 99.979 ( -0.192 -0.614 0.124) 0.655 ======================= Grid point 214 (114/315) ======================= q-point: ( 0.45 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -1.265 1.299 1.805) 2.559 2.453 ( -3.779 -1.294 -0.513) 4.027 2.616 ( 0.950 5.804 5.532) 8.074 2.725 ( -3.996 -4.673 6.374) 8.856 3.636 ( 1.050 3.317 0.542) 3.521 3.660 ( 1.038 1.017 0.842) 1.680 4.657 ( 3.876 -1.619 1.423) 4.435 4.692 ( 0.381 -5.045 1.466) 5.268 5.666 ( -0.448 4.611 -2.728) 5.376 5.723 ( -0.691 -1.086 -2.508) 2.819 6.251 ( -2.698 3.700 -0.160) 4.582 6.321 ( -2.678 -3.273 0.361) 4.244 11.807 ( 0.149 24.309 1.524) 24.357 12.176 ( -0.687 -11.040 1.763) 11.201 15.543 ( 4.511 17.165 -0.503) 17.755 15.750 ( 2.372 -0.408 -1.731) 2.965 16.327 ( 1.226 13.575 -3.175) 13.995 16.632 ( 4.207 -13.456 -5.254) 15.045 43.705 ( 0.498 -4.426 -1.809) 4.807 43.734 ( 0.389 -6.994 -1.797) 7.231 97.828 ( -0.043 0.847 0.302) 0.901 97.833 ( -0.083 0.323 0.318) 0.461 99.964 ( -0.086 0.644 0.110) 0.659 99.977 ( -0.103 -0.612 0.059) 0.624 ======================= Grid point 215 (115/315) ======================= q-point: (-0.45 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -1.629 2.734 -0.094) 3.184 2.446 ( 2.770 -2.815 0.553) 3.988 2.616 ( -3.556 4.511 5.262) 7.790 2.690 ( -0.820 -2.530 4.170) 4.945 3.682 ( 3.157 3.586 2.167) 5.246 3.715 ( 3.697 0.297 2.952) 4.741 4.677 ( -2.191 -1.564 2.470) 3.654 4.709 ( 0.500 -4.511 1.993) 4.957 5.707 ( 5.282 4.654 -0.865) 7.092 5.768 ( 5.930 -1.435 -1.116) 6.202 6.221 ( -0.192 3.910 -1.187) 4.091 6.300 ( 0.438 -3.742 -0.428) 3.792 11.797 ( -1.566 24.074 1.128) 24.151 12.160 ( -1.236 -10.851 1.144) 10.981 15.454 ( -11.797 17.835 -4.081) 21.770 15.702 ( -7.136 -4.636 -3.444) 9.180 16.309 ( -1.767 17.654 -4.048) 18.198 16.656 ( -0.836 -14.375 -4.110) 14.974 43.709 ( 0.368 -4.466 -1.655) 4.777 43.736 ( 0.351 -6.902 -1.695) 7.115 97.828 ( 0.033 0.868 0.333) 0.930 97.834 ( 0.108 0.302 0.364) 0.485 99.964 ( 0.055 0.606 0.113) 0.619 99.976 ( 0.010 -0.571 0.025) 0.571 ======================= Grid point 216 (116/315) ======================= q-point: (-0.36 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 2.830 7.447 0.181) 7.969 2.527 ( -0.860 0.736 2.157) 2.436 2.554 ( 2.993 1.219 2.020) 3.811 2.693 ( 0.299 -6.255 1.871) 6.535 3.767 ( 4.364 3.998 2.938) 6.608 3.804 ( 3.892 0.386 3.505) 5.252 4.614 ( -5.086 0.345 2.862) 5.846 4.670 ( -5.201 -4.802 1.602) 7.257 5.876 ( 11.354 5.158 0.699) 12.490 5.947 ( 11.726 -2.413 -0.606) 11.987 6.234 ( 1.823 4.895 -0.811) 5.286 6.339 ( 3.832 -4.981 0.510) 6.305 11.749 ( -3.606 24.873 0.721) 25.143 12.130 ( -2.215 -11.692 0.690) 11.920 15.112 ( -19.885 20.315 -5.501) 28.954 15.446 ( -16.683 -11.849 -5.219) 21.118 16.224 ( -6.062 20.325 -4.174) 21.616 16.576 ( -6.078 -13.678 -3.021) 15.269 43.711 ( 0.222 -4.521 -1.599) 4.801 43.738 ( 0.283 -6.952 -1.690) 7.160 97.831 ( 0.109 0.976 0.347) 1.041 97.839 ( 0.232 0.201 0.383) 0.491 99.966 ( 0.162 0.556 0.124) 0.593 99.977 ( 0.122 -0.511 0.036) 0.527 ======================= Grid point 217 (117/315) ======================= q-point: (-0.27 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -1.543 10.803 2.293) 11.151 2.495 ( 6.441 9.682 0.881) 11.663 2.702 ( 7.951 -6.428 0.525) 10.237 2.727 ( 3.630 -9.222 -1.365) 10.004 3.852 ( 2.608 3.702 3.415) 5.672 3.876 ( 2.584 1.435 2.347) 3.774 4.482 ( -9.076 0.448 2.245) 9.360 4.517 ( -10.059 -2.786 1.265) 10.515 6.104 ( 9.497 3.875 -3.430) 10.816 6.168 ( 8.152 -3.026 -4.529) 9.804 6.329 ( 9.909 8.324 6.517) 14.490 6.494 ( 12.279 -6.818 4.551) 14.764 11.649 ( -6.796 26.412 0.221) 27.273 12.066 ( -4.714 -13.468 0.420) 14.275 14.693 ( -19.420 20.688 -5.118) 28.833 15.057 ( -19.735 -14.773 -5.633) 25.288 16.043 ( -10.951 21.944 -3.293) 24.744 16.412 ( -9.250 -14.513 -2.245) 17.356 43.710 ( 0.108 -4.591 -1.661) 4.884 43.738 ( 0.214 -7.110 -1.780) 7.333 97.834 ( 0.151 1.101 0.335) 1.161 97.845 ( 0.263 0.086 0.371) 0.463 99.970 ( 0.203 0.532 0.135) 0.586 99.981 ( 0.200 -0.476 0.096) 0.525 ======================= Grid point 218 (118/315) ======================= q-point: (-0.18 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 2.718 14.394 -0.338) 14.652 2.652 ( 8.782 8.285 1.030) 12.117 2.800 ( 4.795 -8.864 -2.294) 10.336 2.871 ( 7.836 -7.061 -1.205) 10.616 3.869 ( -1.627 4.788 3.491) 6.145 3.920 ( 0.673 -0.159 1.861) 1.985 4.275 ( -11.076 1.559 0.424) 11.193 4.303 ( -11.389 -1.257 1.460) 11.551 6.206 ( 3.190 1.914 -6.102) 7.146 6.242 ( 2.856 -0.910 -7.459) 8.039 6.642 ( 16.055 9.433 11.032) 21.644 6.824 ( 17.254 -7.276 7.072) 20.016 11.479 ( -10.060 28.041 -0.208) 29.791 11.939 ( -8.006 -15.941 0.494) 17.845 14.367 ( -11.255 18.614 -3.615) 22.051 14.687 ( -15.023 -12.525 -4.476) 20.065 15.795 ( -12.517 23.646 -1.679) 26.807 16.215 ( -9.641 -17.574 -1.256) 20.084 43.706 ( 0.045 -4.658 -1.832) 5.006 43.737 ( 0.172 -7.324 -1.928) 7.575 97.838 ( 0.130 1.199 0.301) 1.244 97.850 ( 0.203 -0.001 0.332) 0.389 99.975 ( 0.182 0.546 0.151) 0.595 99.985 ( 0.202 -0.481 0.177) 0.551 ======================= Grid point 219 (119/315) ======================= q-point: (-0.09 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 4.324 17.142 -2.748) 17.892 2.822 ( 6.603 10.370 0.515) 12.305 2.887 ( 4.948 -12.477 -4.386) 14.121 3.000 ( 5.732 -6.638 -2.162) 9.033 3.812 ( -5.015 4.620 4.011) 7.911 3.892 ( -4.342 -3.475 3.247) 6.440 4.088 ( -8.242 3.510 0.550) 8.975 4.115 ( -5.028 1.355 -1.320) 5.372 6.224 ( 0.594 1.876 -7.013) 7.284 6.260 ( 1.095 -1.132 -8.328) 8.475 6.952 ( 10.623 10.953 11.379) 19.034 7.144 ( 11.525 -7.191 7.629) 15.580 11.286 ( -7.933 29.095 0.146) 30.158 11.782 ( -6.746 -18.273 1.404) 19.529 14.237 ( -1.504 14.904 -2.096) 15.126 14.460 ( -6.787 -6.647 -2.595) 9.847 15.573 ( -8.600 24.959 0.164) 26.400 16.049 ( -6.195 -21.196 0.089) 22.083 43.702 ( 0.036 -4.680 -2.061) 5.114 43.735 ( 0.169 -7.548 -2.078) 7.831 97.841 ( 0.046 1.252 0.258) 1.279 97.854 ( 0.071 -0.046 0.275) 0.288 99.978 ( 0.107 0.569 0.178) 0.606 99.989 ( 0.119 -0.501 0.244) 0.570 ======================= Grid point 286 (120/315) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 1.127 0.000 19.232) 19.265 0.896 ( 2.881 0.000 19.415) 19.627 1.616 ( 1.400 0.000 33.904) 33.933 2.206 ( -0.202 0.000 -9.528) 9.530 2.675 ( -3.337 0.000 -6.520) 7.324 3.616 ( 0.468 0.000 4.429) 4.454 3.766 ( -19.480 0.000 0.013) 19.480 4.130 ( 0.024 0.000 -3.594) 3.595 4.251 ( -5.295 0.000 3.400) 6.293 4.559 ( 17.184 0.000 -0.516) 17.191 6.757 ( -5.375 0.000 -6.356) 8.324 7.069 ( 2.249 0.000 4.869) 5.363 8.607 ( -5.836 0.000 0.650) 5.872 10.300 ( -0.261 0.000 -1.637) 1.658 11.589 ( -0.862 0.000 2.751) 2.883 12.198 ( -0.192 0.000 -2.204) 2.212 14.878 ( 13.008 0.000 -0.131) 13.009 17.431 ( -1.890 0.000 -2.404) 3.058 45.531 ( 0.754 0.000 1.494) 1.674 46.137 ( 1.229 0.000 -2.930) 3.177 97.628 ( -0.246 0.000 -0.246) 0.348 97.709 ( -0.442 0.000 0.767) 0.885 99.911 ( 0.024 0.000 0.140) 0.142 100.009 ( 0.059 0.000 -0.104) 0.119 ======================= Grid point 287 (121/315) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 14.567 0.000 14.915) 20.848 1.236 ( 18.692 0.000 18.074) 26.001 1.755 ( 5.848 0.000 24.413) 25.104 2.198 ( 2.051 0.000 -9.162) 9.389 2.822 ( 17.243 0.000 -4.274) 17.765 3.647 ( 1.269 0.000 4.326) 4.508 3.848 ( 13.512 0.000 -10.002) 16.811 4.117 ( -0.286 0.000 -3.726) 3.737 4.318 ( 15.007 0.000 -0.636) 15.021 4.939 ( 20.154 0.000 -1.327) 20.197 6.658 ( -3.107 0.000 -5.561) 6.370 7.123 ( 1.874 0.000 4.290) 4.681 8.374 ( -15.364 0.000 5.959) 16.479 10.283 ( -0.926 0.000 -1.563) 1.817 11.587 ( -0.061 0.000 2.550) 2.551 12.168 ( -2.214 0.000 -1.852) 2.887 15.412 ( 34.154 0.000 -14.910) 37.267 17.383 ( -2.299 0.000 -2.240) 3.210 45.548 ( 0.576 0.000 1.439) 1.550 46.103 ( -3.470 0.000 -2.770) 4.440 97.618 ( -0.518 0.000 0.256) 0.578 97.700 ( -0.621 0.000 0.828) 1.035 99.912 ( -0.008 0.000 0.120) 0.120 100.009 ( -0.029 0.000 -0.102) 0.106 ======================= Grid point 288 (122/315) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 17.477 0.000 8.897) 19.611 1.484 ( 1.888 0.000 21.777) 21.858 2.122 ( 26.004 0.000 3.504) 26.239 2.236 ( 3.877 0.000 -7.028) 8.026 3.230 ( 20.787 0.000 3.880) 21.146 3.686 ( 1.471 0.000 3.718) 3.999 3.914 ( -0.220 0.000 -8.400) 8.403 4.100 ( -0.249 0.000 -3.594) 3.603 4.818 ( 30.247 0.000 -8.363) 31.382 5.301 ( 16.570 0.000 -4.898) 17.279 6.588 ( -3.140 0.000 -2.947) 4.307 7.162 ( 0.923 0.000 2.654) 2.809 8.091 ( -14.494 0.000 6.060) 15.710 10.257 ( -1.308 0.000 -1.410) 1.923 11.600 ( 0.689 0.000 2.211) 2.316 12.105 ( -3.595 0.000 -0.970) 3.724 15.984 ( 26.792 0.000 -15.288) 30.847 17.336 ( -1.456 0.000 -1.999) 2.473 45.562 ( 0.426 0.000 1.080) 1.161 46.003 ( -5.540 0.000 -2.213) 5.966 97.612 ( -0.195 0.000 0.457) 0.497 97.690 ( -0.568 0.000 0.784) 0.968 99.911 ( -0.034 0.000 0.066) 0.074 100.007 ( -0.106 0.000 -0.099) 0.145 ======================= Grid point 289 (123/315) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 5.797 0.000 13.816) 14.983 1.762 ( 14.667 0.000 3.634) 15.110 2.308 ( 4.744 0.000 -3.648) 5.985 2.663 ( 26.113 0.000 -0.136) 26.113 3.488 ( 0.241 0.000 2.736) 2.747 3.722 ( 1.236 0.000 2.952) 3.201 3.962 ( 9.092 0.000 -0.589) 9.111 4.090 ( 0.146 0.000 -3.059) 3.063 5.359 ( 25.987 0.000 -12.220) 28.717 5.578 ( 13.520 0.000 -4.744) 14.328 6.512 ( -4.085 0.000 1.751) 4.445 7.171 ( -0.448 0.000 0.361) 0.575 7.833 ( -12.889 0.000 3.988) 13.492 10.225 ( -1.404 0.000 -1.323) 1.930 11.627 ( 1.528 0.000 1.946) 2.474 12.026 ( -4.132 0.000 0.168) 4.135 16.385 ( 16.777 0.000 -7.825) 18.512 17.333 ( 2.224 0.000 -2.798) 3.574 45.570 ( 0.211 0.000 0.349) 0.408 45.884 ( -5.641 0.000 -1.808) 5.924 97.611 ( -0.023 0.000 0.525) 0.525 97.682 ( -0.450 0.000 0.698) 0.830 99.911 ( -0.052 0.000 -0.007) 0.053 100.004 ( -0.144 0.000 -0.093) 0.172 ======================= Grid point 290 (124/315) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 14.715 0.000 7.471) 16.503 2.010 ( 9.896 0.000 -0.199) 9.898 2.388 ( 3.299 0.000 -0.717) 3.376 3.116 ( 18.549 0.000 -0.515) 18.557 3.338 ( -12.055 0.000 -0.268) 12.058 3.751 ( 0.898 0.000 2.444) 2.604 4.090 ( 0.560 0.000 -2.262) 2.330 4.149 ( 5.492 0.000 5.211) 7.571 5.685 ( 9.180 0.000 -14.441) 17.112 5.893 ( 19.924 0.000 -6.725) 21.029 6.470 ( -0.066 0.000 7.855) 7.856 7.146 ( -1.856 0.000 -1.880) 2.642 7.601 ( -11.335 0.000 3.272) 11.798 10.196 ( -1.064 0.000 -1.365) 1.731 11.673 ( 2.573 0.000 1.878) 3.186 11.946 ( -4.019 0.000 1.165) 4.184 16.609 ( 7.402 0.000 -1.232) 7.504 17.408 ( 5.757 0.000 -3.941) 6.977 45.569 ( -0.414 0.000 -0.809) 0.909 45.782 ( -3.868 0.000 -1.043) 4.006 97.613 ( 0.044 0.000 0.606) 0.608 97.676 ( -0.325 0.000 0.614) 0.695 99.909 ( -0.058 0.000 -0.074) 0.094 100.001 ( -0.129 0.000 -0.086) 0.155 ======================= Grid point 291 (125/315) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 5.845 0.000 -1.892) 6.143 2.196 ( 21.024 0.000 3.319) 21.285 2.410 ( -1.504 0.000 0.508) 1.587 3.013 ( -17.905 0.000 -0.020) 17.905 3.429 ( 10.643 0.000 -0.194) 10.645 3.770 ( 0.317 0.000 2.224) 2.247 4.098 ( 0.806 0.000 -1.580) 1.774 4.159 ( -6.224 0.000 6.873) 9.272 5.703 ( -2.775 0.000 -13.035) 13.327 6.206 ( 12.207 0.000 -9.316) 15.356 6.604 ( 11.252 0.000 8.061) 13.842 7.091 ( -2.785 0.000 -3.263) 4.290 7.413 ( -8.329 0.000 5.041) 9.735 10.179 ( -0.168 0.000 -1.450) 1.459 11.741 ( 3.746 0.000 1.882) 4.192 11.874 ( -3.670 0.000 1.749) 4.066 16.696 ( 1.865 0.000 1.491) 2.387 17.508 ( 4.641 0.000 -4.038) 6.152 45.546 ( -1.428 0.000 -1.806) 2.303 45.735 ( -0.585 0.000 -0.275) 0.647 97.616 ( 0.003 0.000 0.671) 0.671 97.673 ( -0.136 0.000 0.561) 0.577 99.908 ( -0.047 0.000 -0.115) 0.124 99.999 ( -0.066 0.000 -0.082) 0.105 ======================= Grid point 292 (126/315) ======================= q-point: (-0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -3.222 0.000 -2.789) 4.261 2.356 ( -1.845 0.000 1.441) 2.341 2.622 ( -20.414 0.000 -0.169) 20.414 2.650 ( 22.686 0.000 2.120) 22.785 3.549 ( 0.674 0.000 -0.609) 0.908 3.769 ( -1.143 0.000 1.959) 2.268 3.957 ( -15.089 0.000 8.979) 17.559 4.112 ( 0.934 0.000 -1.341) 1.634 5.530 ( -10.952 0.000 -11.698) 16.025 6.328 ( 2.994 0.000 -8.976) 9.462 6.881 ( 12.882 0.000 2.201) 13.069 7.025 ( -2.757 0.000 -3.241) 4.255 7.325 ( -1.392 0.000 8.284) 8.400 10.184 ( 1.023 0.000 -1.475) 1.795 11.807 ( -2.993 0.000 2.388) 3.829 11.833 ( 4.366 0.000 1.224) 4.534 16.698 ( -2.239 0.000 1.284) 2.581 17.558 ( 1.510 0.000 -3.952) 4.231 45.511 ( -1.377 0.000 -1.653) 2.151 45.752 ( 2.130 0.000 -0.416) 2.170 97.616 ( -0.214 0.000 0.674) 0.707 97.675 ( 0.215 0.000 0.561) 0.600 99.907 ( -0.020 0.000 -0.115) 0.117 99.998 ( 0.019 0.000 -0.082) 0.084 ======================= Grid point 293 (127/315) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -14.456 0.000 -0.177) 14.457 2.189 ( -22.689 0.000 4.425) 23.117 2.364 ( 0.898 0.000 -0.701) 1.139 3.111 ( 21.349 0.000 -0.759) 21.363 3.350 ( -21.093 0.000 1.304) 21.134 3.735 ( -2.708 0.000 1.840) 3.274 3.739 ( -7.120 0.000 7.527) 10.361 4.125 ( 0.769 0.000 -1.701) 1.867 5.211 ( -17.915 0.000 -9.913) 20.475 6.284 ( -4.412 0.000 -12.532) 13.286 6.972 ( -1.688 0.000 -1.819) 2.481 7.054 ( 3.826 0.000 0.684) 3.887 7.440 ( 10.374 0.000 9.201) 13.867 10.210 ( 1.934 0.000 -1.430) 2.405 11.747 ( -3.275 0.000 2.242) 3.969 11.937 ( 5.339 0.000 0.788) 5.397 16.597 ( -8.464 0.000 -1.754) 8.644 17.557 ( -0.144 0.000 -3.940) 3.943 45.488 ( -0.579 0.000 -0.887) 1.060 45.810 ( 3.831 0.000 -0.891) 3.933 97.611 ( -0.362 0.000 0.630) 0.726 97.684 ( 0.513 0.000 0.601) 0.790 99.907 ( 0.017 0.000 -0.074) 0.076 99.999 ( 0.098 0.000 -0.086) 0.131 ======================= Grid point 294 (128/315) ======================= q-point: (-0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -19.302 0.000 3.098) 19.549 1.767 ( -20.990 0.000 9.104) 22.880 2.361 ( -0.856 0.000 -3.078) 3.195 2.757 ( -34.656 0.000 8.243) 35.623 3.536 ( 14.059 0.000 -6.169) 15.353 3.633 ( -2.470 0.000 5.319) 5.864 3.680 ( -3.157 0.000 2.220) 3.860 4.133 ( 0.537 0.000 -2.372) 2.432 4.795 ( -20.339 0.000 -6.910) 21.481 6.079 ( -12.433 0.000 -18.414) 22.219 6.952 ( -0.110 0.000 0.432) 0.446 7.074 ( -1.134 0.000 -0.367) 1.192 7.735 ( 15.855 0.000 9.748) 18.612 10.248 ( 2.130 0.000 -1.395) 2.546 11.691 ( -3.019 0.000 2.350) 3.825 12.043 ( 5.060 0.000 -0.190) 5.063 16.328 ( -17.853 0.000 -8.379) 19.721 17.539 ( -0.530 0.000 -3.576) 3.615 45.483 ( 0.204 0.000 0.003) 0.204 45.893 ( 4.674 0.000 -1.184) 4.821 97.607 ( -0.158 0.000 0.595) 0.616 97.696 ( 0.522 0.000 0.645) 0.830 99.907 ( 0.049 0.000 -0.007) 0.049 100.002 ( 0.150 0.000 -0.093) 0.176 ======================= Grid point 295 (129/315) ======================= q-point: (-0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -20.653 0.000 7.947) 22.129 1.424 ( -17.094 0.000 14.499) 22.415 2.072 ( -35.068 0.000 13.509) 37.580 2.316 ( -2.186 0.000 -5.798) 6.197 3.341 ( -18.137 0.000 0.882) 18.159 3.631 ( -2.335 0.000 3.042) 3.835 3.927 ( 17.137 0.000 -6.634) 18.376 4.135 ( 0.474 0.000 -2.951) 2.988 4.432 ( -13.665 0.000 -2.344) 13.865 5.649 ( -26.573 0.000 -24.939) 36.443 6.969 ( 1.256 0.000 2.692) 2.970 7.016 ( -4.206 0.000 -3.152) 5.256 8.111 ( 18.996 0.000 10.026) 21.480 10.282 ( 1.597 0.000 -1.448) 2.156 11.642 ( -2.499 0.000 2.538) 3.562 12.131 ( 3.891 0.000 -1.208) 4.074 15.822 ( -30.073 0.000 -15.489) 33.827 17.514 ( -1.241 0.000 -2.983) 3.231 45.494 ( 0.662 0.000 0.758) 1.006 45.986 ( 4.876 0.000 -1.097) 4.998 97.610 ( 0.371 0.000 0.506) 0.628 97.707 ( 0.293 0.000 0.692) 0.752 99.908 ( 0.062 0.000 0.065) 0.090 100.004 ( 0.161 0.000 -0.099) 0.189 ======================= Grid point 296 (130/315) ======================= q-point: (-0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -15.262 0.000 14.913) 21.339 1.095 ( -21.395 0.000 15.832) 26.616 1.607 ( -13.130 0.000 26.915) 29.947 2.253 ( -1.934 0.000 -8.220) 8.444 2.945 ( -19.071 0.000 -2.991) 19.304 3.608 ( -0.872 0.000 3.927) 4.023 4.135 ( 0.351 0.000 -3.337) 3.355 4.166 ( 0.363 0.000 -10.987) 10.993 4.279 ( 5.314 0.000 2.392) 5.827 4.832 ( -47.811 0.000 -18.082) 51.116 6.896 ( -6.363 0.000 -5.621) 8.490 7.012 ( 2.050 0.000 4.294) 4.758 8.497 ( 15.279 0.000 4.106) 15.821 10.301 ( 0.661 0.000 -1.569) 1.703 11.607 ( -1.725 0.000 2.721) 3.221 12.186 ( 2.011 0.000 -1.955) 2.805 15.120 ( -31.560 0.000 -8.567) 32.702 17.474 ( -1.842 0.000 -2.481) 3.090 45.511 ( 0.797 0.000 1.262) 1.493 46.078 ( 4.570 0.000 -1.401) 4.780 97.623 ( 0.646 0.000 0.046) 0.648 97.711 ( -0.033 0.000 0.728) 0.729 99.910 ( 0.051 0.000 0.120) 0.130 100.007 ( 0.129 0.000 -0.102) 0.164 ======================= Grid point 297 (131/315) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -3.579 15.592 15.717) 22.427 1.150 ( 4.798 21.963 15.689) 27.414 1.688 ( 1.996 9.071 29.560) 30.985 2.384 ( 0.258 15.683 -8.452) 17.817 2.698 ( -2.042 2.527 -6.075) 6.889 3.613 ( 3.829 -1.637 -2.407) 4.810 3.978 ( -11.661 7.025 -3.140) 13.971 4.218 ( 0.585 14.066 -6.461) 15.490 4.366 ( -4.510 4.605 -0.348) 6.455 4.789 ( 8.024 26.102 -2.416) 27.414 6.747 ( -4.222 -0.198 -6.039) 7.371 7.177 ( -0.554 8.925 5.275) 10.382 8.553 ( -2.771 -2.599 2.922) 4.793 10.491 ( 0.366 17.784 -0.678) 17.800 11.797 ( -1.832 18.186 -0.896) 18.300 12.355 ( 0.097 14.827 -1.960) 14.956 14.842 ( 10.401 -3.299 0.118) 10.912 17.390 ( -1.669 -3.960 -2.192) 4.824 45.440 ( 0.731 -8.732 1.200) 8.844 45.969 ( 0.956 -15.596 -2.177) 15.776 97.633 ( -0.155 0.632 0.099) 0.658 97.717 ( -0.409 0.808 0.768) 1.188 99.917 ( 0.028 0.528 0.015) 0.529 100.010 ( 0.046 0.130 -0.052) 0.147 ======================= Grid point 298 (132/315) ======================= q-point: ( 0.09 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 9.944 10.798 15.535) 21.373 1.405 ( 10.385 11.609 18.209) 23.963 1.855 ( 9.018 11.240 18.384) 23.359 2.373 ( 1.094 15.298 -8.535) 17.552 2.834 ( 15.443 1.276 -3.965) 15.994 3.807 ( 10.792 -2.583 -11.925) 16.289 3.842 ( -1.358 11.722 3.736) 12.378 4.254 ( 4.319 12.446 -5.083) 14.121 4.404 ( 10.352 6.987 -1.600) 12.591 5.043 ( 15.592 11.505 -3.287) 19.654 6.651 ( -3.800 -0.262 -5.685) 6.843 7.189 ( 0.034 5.415 5.988) 8.073 8.403 ( -11.154 4.265 4.770) 12.859 10.489 ( -0.400 19.007 -0.991) 19.037 11.765 ( -0.901 16.246 1.041) 16.304 12.341 ( -0.974 16.472 -1.686) 16.587 15.313 ( 31.760 -8.576 -10.914) 34.660 17.346 ( -2.126 -3.535 -2.041) 4.602 45.455 ( 0.512 -8.893 1.154) 8.982 45.942 ( -2.907 -15.137 -2.349) 15.591 97.627 ( -0.358 0.921 0.336) 1.044 97.709 ( -0.568 0.874 0.787) 1.306 99.917 ( -0.061 0.470 0.047) 0.476 100.010 ( -0.046 0.117 -0.049) 0.135 ======================= Grid point 299 (133/315) ======================= q-point: ( 0.18 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 10.458 4.339 15.700) 19.357 1.572 ( 5.637 6.066 15.584) 17.647 2.203 ( 21.579 8.300 1.008) 23.142 2.395 ( 3.660 13.918 -6.363) 15.735 3.192 ( 17.782 -3.159 3.081) 18.321 3.800 ( -0.957 3.115 -1.541) 3.605 3.917 ( 2.168 7.844 -3.929) 9.037 4.275 ( -0.231 13.339 -2.860) 13.644 4.818 ( 27.420 0.170 -7.713) 28.484 5.332 ( 14.071 3.520 -5.344) 15.457 6.556 ( -4.727 -2.442 -3.474) 6.354 7.210 ( 0.477 3.094 5.760) 6.556 8.185 ( -11.671 10.597 3.580) 16.166 10.470 ( -1.161 19.685 -0.973) 19.743 11.772 ( 1.222 16.090 1.603) 16.216 12.309 ( -1.845 19.380 -1.007) 19.494 15.884 ( 27.608 -9.014 -12.559) 31.641 17.301 ( -1.553 -3.341 -1.846) 4.121 45.467 ( 0.338 -9.105 0.838) 9.150 45.855 ( -4.923 -14.040 -2.135) 15.031 97.623 ( -0.146 1.082 0.451) 1.181 97.700 ( -0.545 0.921 0.747) 1.305 99.916 ( -0.085 0.378 0.042) 0.390 100.008 ( -0.120 0.103 -0.056) 0.168 ======================= Grid point 300 (134/315) ======================= q-point: ( 0.27 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 5.035 1.360 14.195) 15.122 1.832 ( 13.763 5.565 3.923) 15.355 2.435 ( 4.506 11.072 -3.929) 12.583 2.680 ( 22.240 2.454 -0.699) 22.386 3.410 ( 0.580 -6.457 1.794) 6.726 3.809 ( 2.414 2.723 1.708) 4.019 3.973 ( 5.100 6.537 0.317) 8.297 4.255 ( -0.746 13.412 -2.443) 13.653 5.323 ( 24.633 -3.359 -11.286) 27.303 5.569 ( 11.563 -0.711 -4.623) 12.473 6.446 ( -5.448 -4.903 0.448) 7.343 7.237 ( 0.673 1.882 5.094) 5.472 7.962 ( -11.386 15.845 0.916) 19.533 10.441 ( -1.423 19.860 -0.873) 19.930 11.819 ( 3.000 18.006 1.520) 18.317 12.263 ( -2.660 22.313 -0.242) 22.472 16.318 ( 18.457 -6.255 -7.031) 20.718 17.292 ( 1.667 -3.900 -2.566) 4.957 45.473 ( 0.144 -9.309 0.182) 9.312 45.747 ( -5.125 -12.998 -1.836) 14.092 97.623 ( -0.010 1.122 0.510) 1.232 97.692 ( -0.445 0.935 0.678) 1.238 99.914 ( -0.085 0.307 -0.002) 0.318 100.005 ( -0.159 0.085 -0.070) 0.194 ======================= Grid point 301 (135/315) ======================= q-point: ( 0.36 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 12.561 -0.989 7.920) 14.883 2.075 ( 10.069 5.285 -0.453) 11.381 2.507 ( 3.049 10.004 -0.870) 10.494 3.076 ( 16.571 -3.086 -0.546) 16.865 3.279 ( -10.894 -4.847 -0.696) 11.944 3.862 ( 1.749 7.489 3.454) 8.431 4.074 ( 2.100 -2.625 3.680) 4.984 4.242 ( 0.036 11.997 -1.555) 12.098 5.634 ( 8.007 -4.383 -14.838) 17.421 5.836 ( 17.857 -5.381 -5.266) 19.379 6.383 ( -0.435 -6.365 5.979) 8.743 7.257 ( -0.326 0.219 5.403) 5.417 7.741 ( -10.523 21.645 -1.471) 24.112 10.413 ( -1.087 19.925 -0.793) 19.970 11.897 ( 4.364 21.001 1.340) 21.491 12.201 ( -3.536 23.902 0.413) 24.166 16.570 ( 8.261 -3.698 -1.262) 9.138 17.358 ( 5.532 -4.741 -3.942) 8.284 45.471 ( -0.395 -9.387 -0.881) 9.436 45.653 ( -3.541 -12.219 -1.135) 12.773 97.625 ( 0.051 1.133 0.587) 1.277 97.686 ( -0.326 0.932 0.609) 1.161 99.912 ( -0.069 0.273 -0.048) 0.285 100.002 ( -0.148 0.056 -0.087) 0.181 ======================= Grid point 302 (136/315) ======================= q-point: ( 0.45 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 13.248 -4.146 3.451) 14.304 2.244 ( 8.168 5.201 -2.321) 9.958 2.541 ( 1.049 8.205 0.646) 8.297 2.981 ( -16.066 -2.259 -0.475) 16.231 3.364 ( 10.049 -5.357 0.332) 11.393 3.900 ( 1.051 10.361 3.311) 10.928 4.042 ( -6.475 -7.058 5.307) 10.950 4.236 ( -0.443 10.888 -0.928) 10.936 5.627 ( -3.464 -6.089 -13.113) 14.866 6.128 ( 11.784 -6.850 -9.674) 16.714 6.502 ( 10.152 -8.585 7.949) 15.490 7.250 ( -2.104 -3.662 7.497) 8.604 7.553 ( -7.253 29.442 -3.381) 30.510 10.397 ( -0.261 19.970 -0.741) 19.985 11.995 ( 5.065 23.733 1.089) 24.292 12.125 ( -4.319 23.476 0.901) 23.887 16.662 ( 1.675 -3.219 1.349) 3.871 17.458 ( 4.771 -4.773 -4.364) 8.037 45.449 ( -1.332 -9.277 -1.823) 9.548 45.610 ( -0.486 -11.853 -0.399) 11.870 97.628 ( 0.007 1.136 0.649) 1.308 97.682 ( -0.133 0.932 0.565) 1.098 99.911 ( -0.042 0.278 -0.075) 0.291 99.999 ( -0.086 0.017 -0.099) 0.132 ======================= Grid point 303 (137/315) ======================= q-point: (-0.45 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -4.932 -2.692 -1.566) 5.833 2.367 ( 2.297 3.534 -1.246) 4.396 2.588 ( -10.617 -3.463 5.988) 12.672 2.747 ( 9.593 7.647 -3.048) 12.641 3.483 ( 0.939 -5.699 0.048) 5.776 3.854 ( -13.396 -7.708 7.997) 17.402 3.915 ( -0.293 12.588 2.617) 12.860 4.232 ( 0.600 11.041 -1.220) 11.124 5.454 ( -10.372 -6.023 -11.573) 16.668 6.249 ( 3.505 -6.583 -9.699) 12.235 6.744 ( 10.082 -11.111 3.174) 15.335 7.235 ( -0.703 -5.974 9.737) 11.446 7.455 ( -1.325 34.266 -3.216) 34.442 10.400 ( 0.693 19.775 -0.727) 19.801 12.037 ( -4.725 21.379 1.261) 21.931 12.098 ( 4.993 24.961 0.673) 25.464 16.655 ( -2.888 -4.111 1.117) 5.147 17.507 ( 1.374 -4.798 -4.226) 6.540 45.417 ( -1.248 -9.061 -1.670) 9.297 45.626 ( 2.019 -11.905 -0.541) 12.087 97.628 ( -0.211 1.136 0.651) 1.326 97.685 ( 0.218 0.940 0.564) 1.118 99.910 ( -0.008 0.306 -0.075) 0.316 99.998 ( 0.012 -0.014 -0.099) 0.100 ======================= Grid point 304 (138/315) ======================= q-point: (-0.36 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -15.854 -4.483 -0.874) 16.499 2.199 ( -18.530 1.585 5.892) 19.509 2.461 ( 0.828 8.120 -0.586) 8.183 3.096 ( 19.085 -1.085 -2.571) 19.288 3.309 ( -19.550 -2.721 1.926) 19.832 3.655 ( -7.331 -7.065 6.871) 12.283 3.917 ( 0.272 15.464 2.080) 15.605 4.250 ( 1.321 11.585 -1.389) 11.743 5.156 ( -16.540 -4.495 -9.399) 19.548 6.221 ( -3.264 -5.307 -12.375) 13.855 6.861 ( 1.880 -8.943 -1.021) 9.196 7.285 ( 1.142 1.389 10.494) 10.647 7.508 ( 8.169 24.008 -0.227) 25.361 10.419 ( 1.391 19.207 -0.755) 19.272 11.949 ( -4.474 18.678 1.497) 19.265 12.193 ( 4.332 24.131 0.115) 24.517 16.537 ( -9.554 -5.726 -1.748) 11.275 17.501 ( -0.455 -5.273 -3.858) 6.549 45.396 ( -0.473 -8.845 -0.966) 8.910 45.681 ( 3.580 -12.285 -0.988) 12.834 97.623 ( -0.359 1.141 0.610) 1.342 97.694 ( 0.505 0.936 0.596) 1.219 99.910 ( 0.030 0.338 -0.047) 0.342 99.999 ( 0.110 -0.013 -0.087) 0.141 ======================= Grid point 305 (139/315) ======================= q-point: (-0.27 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -18.367 -3.860 3.612) 19.113 1.834 ( -19.507 4.661 10.024) 22.421 2.470 ( -0.110 9.879 -3.163) 10.374 2.805 ( -29.663 5.257 5.990) 30.715 3.424 ( 12.689 -6.673 -3.555) 14.771 3.523 ( -8.507 -6.118 2.963) 10.889 3.955 ( 3.664 17.319 1.246) 17.746 4.271 ( 1.251 12.552 -1.941) 12.763 4.774 ( -18.449 -1.476 -6.092) 19.485 6.045 ( -10.734 -2.774 -17.314) 20.560 6.867 ( 0.185 -5.937 -2.393) 6.404 7.297 ( -2.085 12.142 6.907) 14.124 7.757 ( 14.774 8.509 5.462) 17.903 10.447 ( 1.549 18.411 -0.802) 18.493 11.873 ( -3.402 16.764 1.621) 17.183 12.269 ( 3.357 21.564 -0.554) 21.831 16.243 ( -19.305 -7.943 -7.384) 22.142 17.480 ( -0.600 -5.588 -3.164) 6.450 45.392 ( 0.272 -8.713 -0.155) 8.719 45.758 ( 4.340 -12.862 -1.271) 13.634 97.619 ( -0.189 1.124 0.575) 1.277 97.706 ( 0.504 0.909 0.630) 1.215 99.911 ( 0.071 0.369 -0.001) 0.375 100.002 ( 0.175 0.024 -0.071) 0.191 ======================= Grid point 306 (140/315) ======================= q-point: (-0.18 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -16.257 1.617 9.916) 19.111 1.512 ( -15.540 6.387 15.081) 22.577 2.193 ( -30.276 11.905 8.929) 33.736 2.462 ( -1.636 13.062 -5.309) 14.194 3.274 ( -16.316 -5.119 1.226) 17.144 3.583 ( 3.610 -3.757 -1.850) 5.529 4.074 ( 7.669 12.026 -3.715) 14.739 4.280 ( -0.792 8.647 -3.470) 9.351 4.466 ( -9.171 6.311 -0.566) 11.146 5.675 ( -21.962 2.802 -22.814) 31.791 6.864 ( 0.016 -4.432 -2.847) 5.268 7.252 ( -3.691 14.179 4.311) 15.272 8.095 ( 17.003 1.757 8.085) 18.909 10.472 ( 1.079 17.624 -0.801) 17.675 11.827 ( -1.537 16.705 1.320) 16.828 12.322 ( 2.196 18.274 -1.240) 18.447 15.721 ( -30.226 -9.045 -12.351) 33.881 17.457 ( -0.957 -5.293 -2.537) 5.947 45.403 ( 0.707 -8.662 0.538) 8.707 45.842 ( 4.416 -13.597 -1.222) 14.348 97.621 ( 0.231 0.996 0.515) 1.145 97.716 ( 0.266 0.869 0.669) 1.128 99.913 ( 0.111 0.419 0.039) 0.435 100.005 ( 0.186 0.079 -0.059) 0.211 ======================= Grid point 307 (141/315) ======================= q-point: (-0.09 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -7.305 12.243 15.331) 20.935 1.291 ( -13.132 12.988 16.355) 24.670 1.724 ( -16.506 13.586 20.000) 29.275 2.417 ( -1.124 14.614 -7.870) 16.637 2.922 ( -16.783 -1.066 -2.446) 16.994 3.606 ( -0.266 -1.454 0.370) 1.524 4.173 ( -3.714 1.008 -2.268) 4.467 4.195 ( 1.720 5.608 -7.893) 9.834 4.445 ( 2.723 11.232 -0.392) 11.564 5.052 ( -31.184 20.570 -19.199) 42.003 6.834 ( -2.474 -2.580 -4.514) 5.758 7.194 ( -2.666 12.756 4.025) 13.639 8.433 ( 13.054 -3.215 5.415) 14.493 10.484 ( 0.461 17.181 -0.618) 17.199 11.817 ( -0.095 18.262 -0.294) 18.264 12.349 ( 1.009 15.520 -1.753) 15.652 15.062 ( -28.344 -5.140 -6.113) 29.448 17.427 ( -1.446 -4.576 -2.213) 5.285 45.421 ( 0.825 -8.660 0.998) 8.756 45.922 ( 3.789 -14.652 -1.324) 15.192 97.629 ( 0.417 0.705 0.261) 0.860 97.719 ( -0.075 0.818 0.718) 1.091 99.916 ( 0.120 0.493 0.033) 0.508 100.009 ( 0.138 0.121 -0.055) 0.191 ======================= Grid point 308 (142/315) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -2.981 19.377 11.484) 22.721 1.494 ( 1.783 11.995 18.951) 22.499 2.098 ( 2.540 28.832 14.192) 32.236 2.739 ( 1.938 11.149 -6.619) 13.110 2.812 ( -2.717 14.200 -5.316) 15.404 3.577 ( 5.189 -1.523 -5.426) 7.661 3.974 ( -5.728 -3.217 -1.188) 6.676 4.323 ( 3.838 -2.720 -0.544) 4.735 4.725 ( -2.123 26.316 -7.414) 27.423 5.380 ( -0.979 25.035 -9.655) 26.850 6.775 ( -3.155 3.213 -4.981) 6.715 7.351 ( -4.167 6.192 8.834) 11.565 8.631 ( 1.730 12.504 1.620) 12.726 10.980 ( 1.115 28.043 1.951) 28.133 12.258 ( -2.237 25.329 -3.515) 25.669 12.782 ( 1.036 25.645 -1.324) 25.700 14.756 ( 6.170 -4.637 0.013) 7.719 17.269 ( -1.030 -7.777 -1.604) 8.007 45.180 ( 0.653 -16.145 0.396) 16.164 45.531 ( 0.546 -25.934 -1.772) 26.000 97.657 ( -0.038 1.756 0.374) 1.795 97.742 ( -0.352 1.606 0.645) 1.766 99.930 ( 0.031 0.635 -0.040) 0.637 100.013 ( 0.026 0.145 0.097) 0.177 ======================= Grid point 309 (143/315) ======================= q-point: ( 0.09 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 4.019 17.621 12.255) 21.836 1.603 ( 2.066 8.559 20.446) 22.261 2.239 ( 7.672 23.951 7.726) 26.310 2.752 ( -0.382 19.903 -7.530) 21.283 2.877 ( 11.304 2.843 -2.973) 12.029 3.750 ( 8.238 -2.848 -11.688) 14.580 3.949 ( 6.398 0.039 4.219) 7.664 4.445 ( 8.074 -0.463 0.182) 8.089 4.688 ( 1.335 24.400 -7.719) 25.627 5.389 ( 3.543 18.460 -7.111) 20.097 6.670 ( -5.965 2.517 -4.520) 7.896 7.292 ( -4.275 3.587 9.337) 10.878 8.624 ( -2.118 18.284 1.256) 18.449 11.004 ( 0.489 29.112 1.099) 29.137 12.206 ( -1.227 25.443 -0.749) 25.484 12.820 ( 2.753 29.023 -1.541) 29.194 15.108 ( 26.330 -10.374 -5.275) 28.787 17.238 ( -1.605 -6.935 -1.508) 7.277 45.191 ( 0.346 -16.426 0.382) 16.434 45.512 ( -1.907 -25.584 -2.029) 25.735 97.656 ( -0.133 1.903 0.397) 1.949 97.735 ( -0.495 1.648 0.659) 1.842 99.929 ( -0.118 0.625 -0.007) 0.636 100.013 ( -0.080 0.141 0.090) 0.186 ======================= Grid point 310 (144/315) ======================= q-point: ( 0.18 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 1.791 11.885 17.603) 21.314 1.701 ( 8.119 6.830 11.915) 15.955 2.459 ( 13.387 15.719 -1.560) 20.706 2.742 ( 1.338 18.359 -5.976) 19.353 3.122 ( 11.413 -3.306 1.740) 12.009 3.755 ( -1.075 -4.020 -6.326) 7.572 4.166 ( 8.415 9.089 1.812) 12.518 4.560 ( 1.849 12.761 -2.958) 13.229 4.841 ( 17.549 3.638 -6.041) 18.913 5.467 ( 5.801 9.258 -6.218) 12.571 6.520 ( -7.879 -0.423 -3.046) 8.458 7.233 ( -4.270 -1.099 9.295) 10.288 8.576 ( -2.696 27.133 0.168) 27.267 11.001 ( -0.923 29.937 0.531) 29.955 12.226 ( 3.233 26.892 0.752) 27.096 12.870 ( 2.433 33.845 -1.490) 33.965 15.653 ( 28.525 -12.430 -7.751) 32.067 17.200 ( -1.643 -6.413 -1.447) 6.777 45.196 ( 0.122 -16.765 0.181) 16.766 45.451 ( -3.498 -24.278 -2.111) 24.619 97.655 ( -0.065 2.009 0.425) 2.055 97.727 ( -0.506 1.678 0.652) 1.870 99.926 ( -0.168 0.574 0.020) 0.599 100.011 ( -0.156 0.121 0.053) 0.204 ======================= Grid point 311 (145/315) ======================= q-point: ( 0.27 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 2.537 7.225 14.202) 16.134 1.956 ( 12.586 6.213 4.838) 14.846 2.692 ( 7.136 12.224 -5.082) 15.039 2.809 ( 9.229 10.656 -0.848) 14.122 3.258 ( 0.653 -7.631 0.872) 7.708 3.744 ( 1.437 -5.978 0.024) 6.148 4.266 ( 2.146 16.367 2.057) 16.635 4.555 ( -0.610 14.606 -3.300) 14.986 5.230 ( 20.913 -5.522 -7.881) 23.021 5.569 ( 5.531 1.370 -4.924) 7.530 6.356 ( -7.388 -3.194 -0.754) 8.084 7.173 ( -4.262 -6.618 8.555) 11.625 8.520 ( -2.777 35.936 -0.802) 36.052 10.976 ( -1.547 30.156 0.430) 30.198 12.331 ( 6.874 30.521 0.847) 31.297 12.898 ( 0.480 37.751 -1.466) 37.783 16.147 ( 22.092 -9.779 -5.534) 24.786 17.178 ( 0.414 -6.935 -2.114) 7.262 45.197 ( -0.009 -17.071 -0.263) 17.073 45.370 ( -3.798 -22.714 -1.974) 23.114 97.656 ( 0.013 2.038 0.472) 2.092 97.719 ( -0.440 1.682 0.626) 1.848 99.922 ( -0.150 0.509 0.021) 0.531 100.007 ( -0.200 0.089 -0.011) 0.219 ======================= Grid point 312 (146/315) ======================= q-point: ( 0.36 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 9.430 4.665 8.836) 13.739 2.191 ( 10.201 5.280 0.097) 11.487 2.728 ( -0.946 9.731 -2.581) 10.111 3.031 ( 8.938 -0.679 -0.517) 8.978 3.183 ( -5.076 -2.803 -0.094) 5.799 3.790 ( 1.364 -10.138 5.686) 11.703 4.284 ( -0.701 18.289 1.791) 18.390 4.534 ( -0.500 14.526 -2.128) 14.690 5.534 ( 7.909 -4.718 -14.294) 17.004 5.683 ( 10.719 -8.898 -1.740) 14.039 6.259 ( -1.787 -5.098 2.708) 6.043 7.110 ( -4.246 -10.658 8.045) 14.012 8.462 ( -2.843 43.180 -1.167) 43.289 10.948 ( -1.296 30.063 0.523) 30.095 12.490 ( 8.567 35.036 0.317) 36.069 12.873 ( -2.687 39.519 -1.354) 39.634 16.465 ( 10.483 -6.217 -1.509) 12.281 17.221 ( 4.798 -8.285 -4.018) 10.383 45.193 ( -0.298 -17.130 -1.060) 17.165 45.299 ( -2.699 -21.477 -1.430) 21.693 97.658 ( 0.063 2.043 0.539) 2.114 97.713 ( -0.332 1.672 0.595) 1.806 99.920 ( -0.094 0.470 0.021) 0.480 100.003 ( -0.197 0.044 -0.084) 0.219 ======================= Grid point 313 (147/315) ======================= q-point: ( 0.45 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 10.926 2.133 4.907) 12.166 2.368 ( 8.258 5.860 -2.249) 10.372 2.630 ( -8.081 -0.605 -1.737) 8.287 2.975 ( -7.714 2.143 -0.313) 8.012 3.265 ( 7.078 -2.490 1.867) 7.733 3.796 ( -3.377 -10.863 7.934) 13.869 4.264 ( -1.056 19.360 1.304) 19.432 4.524 ( -0.059 15.450 -0.993) 15.482 5.496 ( -4.750 -5.932 -11.599) 13.867 5.931 ( 12.200 -12.248 -8.712) 19.359 6.311 ( 5.497 -8.562 5.940) 11.782 7.056 ( -3.159 -11.745 8.196) 14.666 8.403 ( -2.720 47.809 -1.018) 47.897 10.930 ( -0.626 29.795 0.612) 29.808 12.657 ( 7.956 38.718 -0.452) 39.530 12.783 ( -5.887 38.733 -0.955) 39.189 16.570 ( 1.077 -5.516 0.930) 5.696 17.319 ( 5.165 -8.444 -5.282) 11.219 45.175 ( -1.070 -16.872 -1.884) 17.011 45.266 ( -0.211 -20.909 -0.743) 20.923 97.661 ( 0.014 2.043 0.591) 2.127 97.710 ( -0.127 1.671 0.573) 1.771 99.919 ( -0.028 0.478 0.028) 0.479 99.999 ( -0.132 -0.012 -0.136) 0.190 ======================= Grid point 314 (148/315) ======================= q-point: (-0.45 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -7.198 -0.213 -1.711) 7.401 2.441 ( -5.857 0.032 4.874) 7.620 2.552 ( 6.051 2.804 -1.368) 6.808 2.877 ( 1.045 3.549 -1.243) 3.903 3.362 ( 1.565 -4.525 1.608) 5.051 3.686 ( -9.445 -6.467 7.645) 13.765 4.263 ( 0.491 19.261 1.651) 19.338 4.533 ( 1.384 17.158 -0.475) 17.221 5.321 ( -9.808 -6.450 -10.112) 15.493 6.078 ( 5.347 -9.990 -11.412) 16.082 6.476 ( 8.374 -13.278 4.881) 16.440 7.048 ( 0.500 -10.736 9.064) 14.059 8.351 ( -2.141 49.217 -0.475) 49.266 10.927 ( 0.052 29.391 0.620) 29.397 12.636 ( -8.088 35.261 -0.381) 36.179 12.796 ( 5.676 40.829 -1.109) 41.237 16.536 ( -4.683 -7.184 0.612) 8.598 17.369 ( 1.163 -8.316 -4.998) 9.772 45.149 ( -0.900 -16.513 -1.724) 16.627 45.280 ( 1.719 -20.984 -0.896) 21.073 97.661 ( -0.197 2.045 0.594) 2.139 97.712 ( 0.224 1.681 0.571) 1.789 99.919 ( 0.023 0.521 0.030) 0.523 99.998 ( -0.008 -0.057 -0.138) 0.149 ======================= Grid point 315 (149/315) ======================= q-point: (-0.36 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -15.856 -2.094 -1.804) 16.095 2.245 ( -15.494 2.734 10.032) 18.660 2.657 ( 4.525 9.727 -1.542) 10.838 3.038 ( 11.852 -4.743 -3.340) 13.196 3.301 ( -8.806 1.465 1.265) 9.017 3.513 ( -7.993 -4.188 6.022) 10.849 4.285 ( 1.103 18.439 1.621) 18.543 4.573 ( 2.307 18.902 -0.639) 19.053 5.055 ( -14.126 -4.991 -7.772) 16.878 6.091 ( -0.510 -6.842 -12.746) 14.475 6.629 ( 5.849 -12.565 0.599) 13.872 7.137 ( 5.427 -10.057 11.176) 15.984 8.319 ( -0.947 47.029 0.011) 47.038 10.934 ( 0.493 28.893 0.586) 28.903 12.471 ( -8.140 30.786 0.316) 31.846 12.875 ( 2.586 40.248 -1.624) 40.364 16.373 ( -12.176 -9.798 -1.874) 15.740 17.351 ( -1.123 -8.882 -3.800) 9.726 45.134 ( -0.189 -16.153 -1.186) 16.197 45.324 ( 2.894 -21.649 -1.266) 21.878 97.657 ( -0.335 2.070 0.559) 2.170 97.721 ( 0.482 1.668 0.581) 1.831 99.920 ( 0.058 0.569 0.025) 0.573 99.999 ( 0.136 -0.058 -0.087) 0.172 ======================= Grid point 316 (150/315) ======================= q-point: (-0.27 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -13.117 2.093 3.036) 13.625 1.934 ( -17.858 5.080 13.118) 22.733 2.718 ( 1.503 12.591 -3.297) 13.103 2.972 ( -16.830 10.045 1.874) 19.689 3.288 ( 4.285 -6.711 -0.210) 7.965 3.414 ( -1.325 -2.784 -0.371) 3.105 4.310 ( 0.896 15.776 0.894) 15.826 4.559 ( -6.755 9.898 -4.132) 12.676 4.794 ( -6.420 7.697 -1.978) 10.216 5.989 ( -5.994 -2.213 -15.350) 16.627 6.721 ( 4.101 -7.929 -2.496) 9.269 7.292 ( 5.823 -7.986 12.959) 16.298 8.321 ( 1.349 40.403 0.230) 40.426 10.947 ( 0.519 28.308 0.647) 28.320 12.333 ( -5.534 26.692 0.660) 27.268 12.892 ( -0.336 37.348 -1.823) 37.394 16.025 ( -21.920 -12.453 -5.451) 25.793 17.322 ( -0.804 -9.412 -2.475) 9.765 45.134 ( 0.447 -15.948 -0.595) 15.966 45.384 ( 3.441 -22.648 -1.512) 22.958 97.652 ( -0.227 2.084 0.523) 2.161 97.733 ( 0.467 1.628 0.589) 1.793 99.922 ( 0.102 0.602 0.023) 0.611 100.002 ( 0.233 -0.006 -0.014) 0.233 ======================= Grid point 317 (151/315) ======================= q-point: (-0.18 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -5.266 11.148 9.222) 15.397 1.650 ( -13.926 7.226 16.551) 22.805 2.521 ( -19.740 18.074 2.164) 26.852 2.802 ( -0.041 18.776 -3.889) 19.175 3.170 ( -11.585 -4.474 1.142) 12.471 3.504 ( 5.603 -3.547 -4.534) 8.033 4.310 ( -4.239 4.977 -3.075) 7.224 4.333 ( -7.466 3.335 -1.374) 8.292 4.781 ( 1.589 20.437 -0.870) 20.517 5.773 ( -10.744 6.462 -17.951) 21.896 6.785 ( 3.153 -3.266 -3.754) 5.891 7.402 ( 1.148 -1.361 12.137) 12.266 8.389 ( 5.609 28.255 1.193) 28.831 10.956 ( 0.150 27.725 1.040) 27.745 12.266 ( -1.176 24.578 -0.023) 24.606 12.858 ( -2.316 32.684 -1.813) 32.816 15.491 ( -28.973 -12.306 -7.112) 32.272 17.304 ( -0.462 -9.316 -1.776) 9.495 45.146 ( 0.807 -15.898 -0.088) 15.919 45.448 ( 3.335 -23.821 -1.540) 24.102 97.652 ( 0.025 2.000 0.489) 2.059 97.741 ( 0.236 1.590 0.599) 1.716 99.924 ( 0.161 0.623 0.018) 0.644 100.007 ( 0.238 0.068 0.048) 0.252 ======================= Grid point 318 (152/315) ======================= q-point: (-0.09 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 1.304 20.019 11.248) 22.999 1.499 ( -6.206 8.500 19.920) 22.529 2.172 ( -13.968 26.608 8.094) 31.122 2.782 ( -1.380 18.376 -7.408) 19.861 2.932 ( -10.007 3.053 -1.185) 10.530 3.556 ( 0.989 -2.876 -3.595) 4.709 4.128 ( -8.233 -3.149 -2.726) 9.227 4.299 ( -0.664 1.127 -1.566) 2.041 4.784 ( -1.165 22.042 -4.333) 22.494 5.512 ( -8.982 20.271 -15.752) 27.198 6.814 ( 0.558 0.711 -4.486) 4.577 7.404 ( -3.282 5.122 9.603) 11.368 8.532 ( 7.136 15.861 2.004) 17.507 10.961 ( 0.217 27.527 1.816) 27.588 12.273 ( 1.291 24.630 -2.536) 24.794 12.802 ( -2.393 27.558 -1.532) 27.704 14.933 ( -21.979 -6.755 -2.954) 23.183 17.289 ( -0.653 -8.645 -1.603) 8.817 45.164 ( 0.858 -15.963 0.246) 15.988 45.504 ( 2.495 -25.076 -1.527) 25.246 97.655 ( 0.138 1.812 0.423) 1.865 97.745 ( -0.081 1.581 0.620) 1.700 99.928 ( 0.165 0.634 -0.015) 0.655 100.011 ( 0.153 0.123 0.083) 0.214 ======================= Grid point 319 (153/315) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -0.707 10.795 16.569) 19.788 1.882 ( -0.531 20.564 6.047) 21.441 2.718 ( 2.752 28.925 6.197) 29.709 2.874 ( 0.220 5.939 -4.336) 7.356 3.177 ( -1.866 14.994 -4.574) 15.787 3.567 ( 6.320 1.762 -6.625) 9.324 3.893 ( -5.606 -4.268 -0.445) 7.060 4.240 ( 2.706 -4.924 0.814) 5.677 5.273 ( -0.465 25.437 -7.577) 26.546 5.755 ( -2.165 11.997 -9.150) 15.243 6.872 ( -2.813 5.597 0.682) 6.301 7.421 ( -3.714 1.571 9.235) 10.078 9.078 ( 2.486 29.423 -0.852) 29.540 11.569 ( 1.365 26.966 4.934) 27.447 12.813 ( -1.122 27.908 -3.392) 28.136 13.367 ( 2.139 29.963 -0.757) 30.049 14.673 ( 3.270 -2.637 -0.409) 4.220 17.070 ( -0.165 -11.437 -0.752) 11.463 44.792 ( 0.494 -20.949 -0.712) 20.967 44.944 ( 0.341 -29.886 -2.062) 29.959 97.703 ( -0.008 2.559 0.377) 2.587 97.780 ( -0.288 1.977 0.496) 2.058 99.943 ( 0.024 0.644 0.008) 0.644 100.015 ( 0.012 0.043 0.275) 0.279 ======================= Grid point 320 (154/315) ======================= q-point: ( 0.09 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 1.362 9.510 14.997) 17.810 1.900 ( 0.259 19.245 9.277) 21.365 2.752 ( 0.223 23.819 2.195) 23.921 2.948 ( 6.747 4.466 -1.091) 8.165 3.140 ( -0.431 16.282 -7.212) 17.813 3.690 ( 2.942 -2.764 -8.492) 9.403 3.920 ( 11.687 -1.767 2.250) 12.032 4.374 ( 10.159 -5.414 1.400) 11.596 5.213 ( -3.316 24.771 -7.620) 26.127 5.696 ( -1.387 10.747 -7.444) 13.147 6.756 ( -8.641 5.470 0.938) 10.269 7.332 ( -7.488 0.784 8.593) 11.424 9.152 ( 4.922 31.896 -0.727) 32.281 11.611 ( 1.247 27.865 3.852) 28.157 12.778 ( -0.017 29.375 -1.067) 29.395 13.487 ( 8.452 34.327 -1.728) 35.395 14.915 ( 20.365 -7.664 -2.517) 21.904 17.061 ( -0.642 -10.266 -0.761) 10.314 44.796 ( 0.111 -21.367 -0.675) 21.378 44.932 ( -0.929 -29.462 -2.209) 29.560 97.703 ( -0.047 2.568 0.373) 2.595 97.774 ( -0.437 2.020 0.515) 2.130 99.942 ( -0.132 0.648 0.019) 0.661 100.015 ( -0.118 0.039 0.255) 0.284 ======================= Grid point 321 (155/315) ======================= q-point: ( 0.18 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 1.523 7.745 12.732) 14.980 1.946 ( 3.074 16.323 11.331) 20.107 2.811 ( 6.077 17.282 -2.205) 18.451 3.053 ( 1.267 0.216 0.573) 1.407 3.122 ( 2.090 14.342 -6.469) 15.871 3.661 ( -2.188 -4.880 -3.551) 6.420 4.233 ( 15.249 -0.978 -0.418) 15.286 4.642 ( 15.910 -3.592 0.696) 16.325 5.113 ( -4.175 20.051 -6.844) 21.594 5.660 ( -0.409 8.184 -6.002) 10.157 6.554 ( -11.401 3.683 0.515) 11.992 7.183 ( -9.412 -3.141 8.244) 12.900 9.256 ( 5.372 37.496 -0.551) 37.883 11.627 ( -0.581 28.953 2.635) 29.078 12.841 ( 6.534 31.896 0.530) 32.563 13.646 ( 7.461 39.975 -2.401) 40.736 15.403 ( 28.007 -11.325 -4.680) 30.571 17.040 ( -1.222 -9.074 -0.937) 9.204 44.794 ( -0.164 -21.849 -0.713) 21.861 44.897 ( -1.808 -28.096 -2.303) 28.248 97.703 ( -0.033 2.574 0.388) 2.604 97.766 ( -0.477 2.045 0.541) 2.169 99.938 ( -0.216 0.637 0.038) 0.673 100.012 ( -0.206 0.013 0.183) 0.276 ======================= Grid point 322 (156/315) ======================= q-point: ( 0.27 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 1.656 10.586 11.183) 15.488 2.099 ( 8.361 8.133 7.153) 13.683 2.944 ( 5.436 12.632 -4.530) 14.479 3.004 ( -3.115 0.980 0.258) 3.276 3.178 ( 3.357 5.854 -2.051) 7.053 3.606 ( -2.750 -7.012 1.043) 7.604 4.474 ( 9.335 2.539 0.689) 9.699 4.882 ( 2.170 15.232 -3.453) 15.768 5.109 ( 10.861 -3.892 -3.963) 12.198 5.637 ( -0.933 4.735 -4.910) 6.885 6.332 ( -10.207 1.067 -0.076) 10.263 7.020 ( -8.862 -7.529 7.695) 13.944 9.350 ( 3.942 42.873 -0.116) 43.054 11.608 ( -1.754 29.389 2.045) 29.512 13.028 ( 11.615 35.934 0.475) 37.768 13.751 ( 3.500 43.427 -2.900) 43.665 15.936 ( 25.441 -10.279 -4.691) 27.837 17.014 ( -0.570 -8.757 -1.750) 8.948 44.787 ( -0.234 -22.383 -0.839) 22.400 44.852 ( -2.021 -26.204 -2.288) 26.381 97.704 ( 0.016 2.560 0.430) 2.596 97.758 ( -0.438 2.048 0.560) 2.168 99.934 ( -0.205 0.603 0.065) 0.641 100.008 ( -0.253 -0.025 0.066) 0.262 ======================= Grid point 323 (157/315) ======================= q-point: ( 0.36 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 7.013 9.746 8.790) 14.880 2.281 ( 8.529 3.731 1.876) 9.496 2.822 ( -10.461 -1.719 -3.429) 11.142 3.070 ( 2.400 5.762 -1.214) 6.359 3.239 ( 2.863 7.636 1.581) 8.307 3.575 ( -0.634 -9.928 5.563) 11.398 4.623 ( 5.326 9.721 2.747) 11.419 4.821 ( -3.243 15.687 -4.512) 16.642 5.392 ( 15.085 -10.993 -4.663) 19.239 5.569 ( -5.112 0.645 -5.004) 7.182 6.186 ( -3.911 -1.807 0.126) 4.310 6.886 ( -6.462 -10.495 7.175) 14.262 9.408 ( 1.791 46.948 0.483) 46.985 11.577 ( -1.826 29.188 1.799) 29.300 13.279 ( 13.048 40.146 -0.462) 42.216 13.759 ( -2.058 44.712 -3.151) 44.870 16.325 ( 13.344 -7.140 -2.209) 15.295 17.031 ( 3.635 -9.829 -4.221) 11.298 44.781 ( -0.028 -22.870 -1.060) 22.895 44.809 ( -1.665 -24.348 -2.141) 24.499 97.706 ( 0.064 2.541 0.483) 2.587 97.752 ( -0.337 2.040 0.571) 2.145 99.931 ( -0.123 0.574 0.105) 0.596 100.003 ( -0.251 -0.067 -0.065) 0.268 ======================= Grid point 324 (158/315) ======================= q-point: ( 0.45 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 9.023 7.868 6.457) 13.601 2.451 ( 8.646 1.792 -1.184) 8.909 2.566 ( -13.565 -3.947 -2.914) 14.425 3.019 ( -6.726 1.615 0.548) 6.939 3.304 ( 2.620 5.286 3.558) 6.890 3.611 ( 1.511 -6.036 6.731) 9.167 4.678 ( -0.984 19.362 2.172) 19.508 4.798 ( 2.759 9.177 -1.439) 9.691 5.412 ( -8.339 -1.751 -7.196) 11.153 5.651 ( 12.361 -13.190 -6.468) 19.199 6.174 ( 1.921 -4.733 1.468) 5.315 6.811 ( -2.880 -11.540 7.015) 13.809 9.423 ( -0.459 49.567 1.019) 49.580 11.550 ( -1.272 28.660 1.637) 28.735 13.515 ( 9.698 42.731 -1.552) 43.845 13.656 ( -6.523 44.482 -2.917) 45.052 16.445 ( 0.102 -6.382 0.274) 6.388 17.123 ( 5.785 -10.130 -6.560) 13.383 44.775 ( -0.935 -21.611 -2.033) 21.726 44.783 ( 0.407 -24.625 -1.203) 24.658 97.709 ( 0.018 2.527 0.522) 2.580 97.749 ( -0.120 2.041 0.573) 2.123 99.930 ( -0.016 0.574 0.144) 0.592 99.998 ( -0.181 -0.109 -0.160) 0.265 ======================= Grid point 325 (159/315) ======================= q-point: (-0.45 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -12.736 3.174 -2.328) 13.331 2.423 ( 0.054 0.686 7.681) 7.712 2.626 ( 9.390 1.579 -1.664) 9.667 2.881 ( -4.529 -1.889 1.297) 5.076 3.343 ( 0.186 2.676 2.753) 3.843 3.628 ( -2.085 0.727 5.017) 5.482 4.646 ( -1.811 16.287 1.272) 16.436 4.887 ( 5.444 14.960 1.364) 15.978 5.205 ( -10.693 -3.576 -7.764) 13.690 5.846 ( 9.381 -11.412 -10.099) 17.895 6.250 ( 4.892 -8.210 2.912) 9.991 6.817 ( 1.662 -11.245 7.597) 13.672 9.396 ( -2.510 50.550 1.353) 50.630 11.536 ( -0.529 28.155 1.555) 28.203 13.428 ( -11.964 40.039 -1.723) 41.824 13.706 ( 6.457 45.812 -2.801) 46.350 16.371 ( -7.210 -8.505 -0.219) 11.152 17.178 ( 1.149 -9.783 -6.045) 11.557 44.756 ( -0.399 -21.098 -1.745) 21.174 44.797 ( 1.275 -24.807 -1.488) 24.884 97.709 ( -0.166 2.534 0.526) 2.594 97.751 ( 0.223 2.045 0.569) 2.134 99.931 ( 0.060 0.610 0.153) 0.632 99.996 ( -0.031 -0.141 -0.168) 0.221 ======================= Grid point 326 (160/315) ======================= q-point: (-0.36 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -12.730 4.632 -1.094) 13.590 2.317 ( -13.185 4.356 12.147) 18.449 2.795 ( 7.438 2.066 -0.721) 7.753 2.938 ( 8.571 -4.186 -1.313) 9.628 3.327 ( -2.062 3.327 0.363) 3.931 3.554 ( -5.913 6.389 3.114) 9.246 4.616 ( -1.933 12.540 2.077) 12.857 4.930 ( -14.280 0.058 -6.961) 15.886 5.013 ( 5.914 15.607 0.833) 16.711 5.957 ( 4.725 -5.593 -12.402) 14.403 6.384 ( 7.902 -10.387 1.687) 13.159 6.919 ( 6.153 -10.679 9.491) 15.556 9.333 ( -4.223 49.606 1.277) 49.801 11.536 ( -0.026 27.854 1.685) 27.905 13.168 ( -13.117 35.660 -0.558) 38.000 13.777 ( 1.274 45.471 -3.302) 45.608 16.150 ( -15.100 -11.392 -2.370) 19.063 17.150 ( -1.895 -10.271 -3.982) 11.177 44.750 ( 0.179 -20.556 -1.469) 20.609 44.825 ( 1.938 -25.744 -1.716) 25.874 97.706 ( -0.272 2.589 0.499) 2.651 97.760 ( 0.445 2.016 0.557) 2.138 99.933 ( 0.088 0.658 0.118) 0.674 99.997 ( 0.162 -0.141 -0.077) 0.228 ======================= Grid point 327 (161/315) ======================= q-point: (-0.27 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -5.412 10.839 2.835) 12.443 2.055 ( -15.288 6.820 13.989) 21.816 2.905 ( 3.198 3.933 -2.361) 5.592 3.094 ( 5.113 -3.598 0.442) 6.268 3.262 ( -4.182 9.986 -1.833) 10.980 3.453 ( -3.063 6.566 0.102) 7.246 4.564 ( -4.762 8.123 1.583) 9.548 4.595 ( -16.260 -1.879 -4.564) 16.993 5.134 ( 5.680 20.111 -1.027) 20.923 5.970 ( 0.286 0.511 -12.893) 12.906 6.560 ( 9.379 -7.151 -1.037) 11.840 7.100 ( 8.651 -9.608 11.714) 17.446 9.238 ( -5.455 46.412 0.601) 46.735 11.541 ( -0.094 27.641 2.203) 27.729 12.935 ( -9.636 30.877 0.268) 32.347 13.740 ( -3.890 43.333 -3.319) 43.634 15.755 ( -23.393 -13.303 -4.170) 27.232 17.105 ( -1.456 -11.241 -2.076) 11.523 44.754 ( 0.630 -20.347 -1.197) 20.392 44.862 ( 2.234 -26.942 -1.877) 27.100 97.702 ( -0.205 2.655 0.463) 2.703 97.770 ( 0.427 1.964 0.535) 2.080 99.935 ( 0.113 0.684 0.069) 0.697 100.001 ( 0.293 -0.097 0.062) 0.315 ======================= Grid point 328 (162/315) ======================= q-point: (-0.18 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 1.883 16.138 7.158) 17.755 1.831 ( -9.923 10.986 14.523) 20.738 2.857 ( -7.091 12.398 -2.672) 14.531 3.100 ( -5.031 -2.018 1.182) 5.548 3.197 ( -0.238 18.468 -1.655) 18.544 3.463 ( 3.435 0.863 -4.553) 5.768 4.276 ( -13.055 -2.554 -3.602) 13.781 4.447 ( -8.408 2.684 2.194) 9.095 5.225 ( 4.089 21.670 -3.872) 22.390 5.912 ( -2.149 6.271 -12.761) 14.380 6.735 ( 8.165 -1.525 -1.463) 8.434 7.297 ( 7.052 -6.500 12.221) 15.535 9.131 ( -4.813 40.653 -0.339) 40.938 11.542 ( -0.533 27.303 3.257) 27.502 12.807 ( -3.035 27.368 -0.091) 27.536 13.613 ( -7.754 39.068 -2.918) 39.936 15.242 ( -25.512 -11.445 -3.906) 28.233 17.083 ( -0.507 -11.998 -1.149) 12.064 44.767 ( 0.857 -20.390 -0.965) 20.430 44.900 ( 2.075 -28.223 -1.942) 28.365 97.701 ( -0.060 2.662 0.429) 2.697 97.779 ( 0.230 1.931 0.511) 2.010 99.938 ( 0.155 0.681 0.038) 0.699 100.008 ( 0.290 -0.032 0.181) 0.343 ======================= Grid point 329 (163/315) ======================= q-point: (-0.09 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -4.208 10.779 15.683) 19.490 1.838 ( 3.724 20.852 7.356) 22.423 2.709 ( -4.865 23.228 1.790) 23.799 2.958 ( -6.889 4.082 -2.892) 8.513 3.207 ( 0.253 16.746 -1.879) 16.853 3.512 ( 2.556 0.017 -5.479) 6.045 4.056 ( -9.202 -3.619 -2.525) 10.205 4.279 ( -6.948 -2.322 1.250) 7.432 5.274 ( 2.157 23.753 -6.317) 24.673 5.830 ( -2.562 10.730 -11.262) 15.764 6.858 ( 3.974 3.154 -0.354) 5.086 7.418 ( 1.553 -1.734 10.833) 11.081 9.066 ( -1.233 33.357 -0.846) 33.390 11.543 ( -0.151 26.919 4.564) 27.303 12.803 ( 1.919 26.337 -2.139) 26.493 13.440 ( -7.782 33.099 -1.829) 34.050 14.804 ( -15.665 -5.194 -1.535) 16.574 17.075 ( -0.117 -12.084 -0.834) 12.113 44.781 ( 0.799 -20.608 -0.804) 20.639 44.931 ( 1.444 -29.336 -1.967) 29.437 97.702 ( 0.021 2.603 0.398) 2.633 97.782 ( -0.042 1.938 0.495) 2.001 99.941 ( 0.145 0.658 0.018) 0.674 100.013 ( 0.171 0.019 0.251) 0.305 ======================= Grid point 330 (164/315) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -0.752 13.446 9.604) 16.541 2.284 ( -0.299 18.157 3.097) 18.422 2.977 ( 0.624 4.119 -2.402) 4.809 3.212 ( 9.516 11.048 -5.758) 15.677 3.354 ( -6.169 9.763 1.382) 11.631 3.717 ( 2.574 11.174 -4.730) 12.404 3.817 ( -5.231 -2.494 0.131) 5.796 4.128 ( 0.885 -5.847 2.031) 6.253 5.725 ( 0.271 17.292 -9.022) 19.506 5.928 ( -2.515 6.082 -7.304) 9.832 6.987 ( -2.913 5.716 9.206) 11.221 7.451 ( -1.951 1.556 5.414) 5.961 9.776 ( 2.036 36.745 -0.876) 36.812 12.008 ( 1.544 13.764 6.652) 15.365 13.382 ( 0.975 26.667 -2.587) 26.810 13.955 ( 2.790 24.935 -1.197) 25.119 14.698 ( 1.421 6.914 0.290) 7.065 16.797 ( 0.596 -15.063 0.189) 15.076 44.329 ( -0.097 -24.793 -2.330) 24.903 44.363 ( 0.697 -23.710 -2.004) 23.804 97.758 ( -0.033 2.711 0.335) 2.732 97.820 ( -0.224 1.784 0.390) 1.840 99.956 ( 0.011 0.664 0.080) 0.669 100.014 ( 0.000 -0.160 0.405) 0.436 ======================= Grid point 331 (165/315) ======================= q-point: ( 0.09 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -0.390 11.574 9.242) 14.816 2.290 ( -0.276 17.941 5.288) 18.707 2.986 ( 0.575 2.247 -2.391) 3.332 3.230 ( -4.547 16.385 1.455) 17.067 3.361 ( 4.893 5.616 -9.344) 11.950 3.667 ( -3.887 1.320 -0.522) 4.138 3.915 ( 12.207 2.107 -1.397) 12.466 4.245 ( 9.972 -6.717 2.099) 12.205 5.662 ( -4.317 17.852 -8.124) 20.083 5.854 ( -2.772 5.421 -6.463) 8.879 6.875 ( -10.264 5.891 8.587) 14.622 7.344 ( -9.747 0.585 4.822) 10.890 9.886 ( 8.465 38.003 -0.648) 38.940 12.073 ( 2.690 15.180 5.625) 16.410 13.387 ( 2.007 28.914 -0.724) 28.993 14.171 ( 16.241 29.703 -2.668) 33.958 14.828 ( 12.262 0.871 -0.621) 12.309 16.814 ( 0.934 -13.683 0.029) 13.714 44.317 ( -0.390 -25.065 -2.212) 25.166 44.367 ( 0.253 -23.406 -2.111) 23.503 97.758 ( -0.064 2.668 0.338) 2.690 97.814 ( -0.380 1.833 0.410) 1.916 99.955 ( -0.136 0.665 0.080) 0.683 100.014 ( -0.154 -0.169 0.376) 0.440 ======================= Grid point 332 (166/315) ======================= q-point: ( 0.18 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 2.087 9.241 8.040) 12.426 2.291 ( -1.392 16.395 9.144) 18.824 2.982 ( -1.110 -1.954 -0.461) 2.294 3.179 ( -0.094 13.362 -2.481) 13.591 3.380 ( 0.370 7.157 -7.973) 10.721 3.589 ( -4.550 0.178 1.917) 4.940 4.189 ( 14.196 -2.292 -2.239) 14.553 4.520 ( 16.466 -7.275 1.636) 18.076 5.518 ( -7.782 17.667 -6.534) 20.380 5.788 ( -2.259 4.458 -5.401) 7.359 6.653 ( -13.556 5.322 6.007) 15.754 7.120 ( -13.287 -2.713 5.057) 14.473 10.071 ( 9.461 40.443 -0.180) 41.535 12.121 ( 0.555 17.375 4.138) 17.870 13.504 ( 9.965 31.582 0.582) 33.122 14.463 ( 12.292 38.143 -3.246) 40.206 15.200 ( 25.201 -8.105 -3.144) 26.658 16.828 ( 0.343 -11.470 -0.508) 11.487 44.302 ( -0.500 -24.822 -2.091) 24.915 44.362 ( -0.110 -22.874 -2.158) 22.976 97.758 ( -0.063 2.616 0.360) 2.642 97.807 ( -0.444 1.872 0.452) 1.976 99.952 ( -0.238 0.662 0.088) 0.709 100.011 ( -0.255 -0.196 0.284) 0.429 ======================= Grid point 333 (167/315) ======================= q-point: ( 0.27 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 4.331 9.388 6.335) 12.126 2.305 ( 0.517 11.569 9.802) 15.172 2.907 ( -6.388 -5.770 -0.446) 8.619 3.218 ( 3.618 12.790 -2.497) 13.524 3.367 ( 0.899 3.905 -4.784) 6.240 3.488 ( -6.285 -0.373 4.089) 7.508 4.443 ( 11.954 -3.619 -1.279) 12.555 4.861 ( 16.456 -9.437 0.270) 18.972 5.337 ( -8.432 17.136 -4.607) 19.646 5.728 ( -2.730 3.567 -4.304) 6.221 6.394 ( -12.867 4.459 2.449) 13.836 6.877 ( -11.987 -6.106 5.312) 14.464 10.238 ( 7.052 42.346 0.541) 42.932 12.119 ( -1.524 18.732 3.153) 19.057 13.768 ( 15.666 34.835 0.213) 38.196 14.626 ( 5.219 40.128 -3.589) 40.625 15.736 ( 27.533 -8.907 -4.760) 29.327 16.824 ( -0.248 -9.617 -1.630) 9.757 44.288 ( -0.369 -24.206 -1.973) 24.289 44.352 ( -0.291 -22.261 -2.157) 22.367 97.758 ( -0.020 2.559 0.398) 2.590 97.800 ( -0.426 1.895 0.498) 2.005 99.947 ( -0.243 0.644 0.118) 0.698 100.006 ( -0.301 -0.229 0.139) 0.402 ======================= Grid point 334 (168/315) ======================= q-point: ( 0.36 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 6.322 10.617 6.185) 13.818 2.365 ( 3.240 4.852 5.328) 7.901 2.739 ( -10.054 -4.601 -1.451) 11.152 3.210 ( -6.137 4.253 0.053) 7.467 3.406 ( -0.763 0.064 5.646) 5.698 3.431 ( 5.462 5.412 -0.353) 7.698 4.661 ( 10.297 -2.861 0.176) 10.689 5.100 ( 0.895 -7.037 0.384) 7.104 5.216 ( 3.748 10.931 -3.666) 12.123 5.641 ( -4.956 4.300 -4.104) 7.739 6.191 ( -7.061 2.380 -0.467) 7.466 6.691 ( -7.979 -8.262 4.988) 12.522 10.349 ( 3.881 43.529 1.323) 43.721 12.088 ( -2.217 19.095 2.541) 19.390 14.092 ( 16.208 37.581 -0.995) 40.939 14.652 ( -1.554 40.534 -4.202) 40.781 16.179 ( 16.136 -6.804 -3.289) 17.818 16.830 ( 2.584 -9.440 -4.475) 10.761 44.278 ( -0.036 -23.514 -1.869) 23.588 44.340 ( -0.283 -21.683 -2.139) 21.790 97.759 ( 0.036 2.505 0.440) 2.543 97.794 ( -0.329 1.910 0.536) 2.011 99.943 ( -0.155 0.617 0.169) 0.658 100.000 ( -0.287 -0.251 -0.021) 0.382 ======================= Grid point 335 (169/315) ======================= q-point: ( 0.45 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 7.467 8.676 6.632) 13.229 2.456 ( 3.605 -0.246 0.300) 3.626 2.512 ( -10.372 -0.559 -1.195) 10.456 3.030 ( -10.969 -1.093 4.520) 11.914 3.427 ( 0.998 6.144 3.328) 7.058 3.572 ( 6.759 1.889 3.185) 7.707 4.849 ( 8.117 -2.370 -0.001) 8.456 4.994 ( -6.470 6.137 2.435) 9.245 5.344 ( 2.907 -2.521 -3.175) 4.989 5.558 ( 1.157 4.533 -5.730) 7.397 6.117 ( -0.736 -0.720 -1.249) 1.619 6.593 ( -3.054 -9.318 4.562) 10.815 10.399 ( 0.700 44.296 1.906) 44.342 12.053 ( -1.850 18.895 2.114) 19.102 14.358 ( 8.026 37.862 -2.009) 38.756 14.560 ( -4.126 41.760 -4.529) 42.207 16.316 ( -0.923 -5.981 -0.536) 6.075 16.915 ( 6.370 -9.840 -7.708) 14.029 44.277 ( 0.388 -23.051 -1.795) 23.124 44.330 ( -0.118 -21.226 -2.137) 21.334 97.761 ( 0.012 2.469 0.467) 2.513 97.791 ( -0.110 1.924 0.556) 2.005 99.942 ( -0.020 0.597 0.221) 0.637 99.995 ( -0.205 -0.258 -0.137) 0.357 ======================= Grid point 336 (170/315) ======================= q-point: (-0.45 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -12.069 3.227 -1.453) 12.577 2.500 ( 2.682 6.385 8.176) 10.714 2.600 ( 7.516 -3.055 0.176) 8.115 2.849 ( -6.569 -0.971 4.981) 8.301 3.450 ( 0.681 6.955 1.565) 7.162 3.682 ( 2.903 3.508 2.982) 5.443 4.866 ( -5.234 3.766 2.064) 6.771 4.969 ( 0.356 -5.084 -0.813) 5.160 5.323 ( 0.117 12.629 -1.306) 12.697 5.681 ( 10.636 -3.018 -7.736) 13.494 6.134 ( 2.424 -3.179 -0.431) 4.021 6.598 ( 2.181 -9.793 5.095) 11.253 10.387 ( -2.436 44.741 2.122) 44.857 12.030 ( -0.977 18.538 1.955) 18.667 14.231 ( -14.543 36.652 -2.501) 39.512 14.625 ( 6.480 42.037 -4.047) 42.725 16.198 ( -9.924 -7.954 -1.281) 12.783 16.977 ( 1.293 -9.557 -6.926) 11.873 44.284 ( 0.775 -22.976 -1.758) 23.056 44.324 ( 0.147 -21.002 -2.173) 21.114 97.762 ( -0.116 2.483 0.471) 2.530 97.793 ( 0.205 1.915 0.552) 2.004 99.944 ( 0.087 0.604 0.238) 0.655 99.992 ( -0.042 -0.254 -0.153) 0.300 ======================= Grid point 337 (171/315) ======================= q-point: (-0.36 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -7.096 9.169 0.520) 11.606 2.424 ( -11.366 5.873 12.002) 17.542 2.759 ( 8.016 -3.853 0.934) 8.942 2.869 ( 5.745 -2.715 0.766) 6.400 3.471 ( 1.725 9.244 -1.023) 9.459 3.698 ( -1.778 6.613 1.713) 7.059 4.767 ( -6.031 1.557 4.347) 7.595 4.842 ( -10.931 -4.145 -5.331) 12.849 5.402 ( 6.517 17.559 -0.408) 18.733 5.883 ( 10.720 -1.367 -10.030) 14.744 6.220 ( 7.075 -5.259 1.279) 8.907 6.707 ( 7.124 -9.662 7.203) 13.999 10.314 ( -5.546 44.672 1.807) 45.051 12.023 ( -0.373 18.182 2.252) 18.324 13.896 ( -17.499 33.975 -1.193) 38.235 14.687 ( 0.494 41.467 -4.162) 41.678 15.919 ( -17.712 -10.686 -3.233) 20.937 16.939 ( -2.817 -10.005 -4.343) 11.265 44.297 ( 1.041 -23.231 -1.747) 23.319 44.324 ( 0.421 -21.146 -2.256) 21.270 97.760 ( -0.172 2.566 0.452) 2.611 97.801 ( 0.390 1.862 0.524) 1.973 99.946 ( 0.118 0.636 0.193) 0.675 99.993 ( 0.177 -0.244 -0.043) 0.304 ======================= Grid point 338 (172/315) ======================= q-point: (-0.27 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.480 14.693 2.798) 14.964 2.215 ( -11.653 8.534 12.722) 19.248 2.904 ( 6.007 -2.557 -0.214) 6.532 2.988 ( 5.185 -5.266 -0.473) 7.405 3.518 ( 3.419 12.392 -3.031) 13.207 3.634 ( -4.438 9.523 0.680) 10.529 4.544 ( -15.693 -2.441 -3.787) 16.327 4.650 ( -8.420 0.478 3.337) 9.069 5.531 ( 6.604 17.463 -3.963) 19.086 6.000 ( 3.965 1.966 -10.148) 11.071 6.443 ( 13.851 -3.871 2.172) 14.545 6.914 ( 11.110 -8.285 9.410) 16.751 10.177 ( -8.572 43.706 0.918) 44.548 12.021 ( -0.713 17.586 3.145) 17.879 13.572 ( -13.958 30.226 0.070) 33.293 14.619 ( -6.259 40.678 -4.078) 41.358 15.490 ( -23.488 -12.192 -3.813) 26.737 16.869 ( -2.978 -11.537 -2.049) 12.090 44.314 ( 1.174 -23.622 -1.762) 23.717 44.328 ( 0.574 -21.724 -2.350) 21.858 97.758 ( -0.124 2.671 0.417) 2.706 97.810 ( 0.377 1.792 0.482) 1.894 99.949 ( 0.121 0.666 0.122) 0.688 99.998 ( 0.332 -0.221 0.135) 0.421 ======================= Grid point 339 (173/315) ======================= q-point: (-0.18 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -4.481 12.978 8.134) 15.958 2.125 ( 3.294 16.520 7.963) 18.633 2.979 ( 1.736 0.874 -1.897) 2.716 3.056 ( 2.075 -3.556 -2.398) 4.764 3.531 ( -4.227 13.115 2.881) 14.077 3.598 ( 3.885 11.597 -6.141) 13.686 4.229 ( -13.999 -1.702 -2.980) 14.414 4.453 ( -12.216 -1.552 3.131) 12.706 5.637 ( 5.564 17.419 -7.030) 19.591 6.014 ( 0.650 3.666 -9.324) 10.039 6.723 ( 12.371 0.360 4.368) 13.125 7.175 ( 11.717 -5.035 9.191) 15.720 9.989 ( -9.816 41.456 -0.133) 42.602 12.008 ( -1.694 16.296 4.615) 17.022 13.373 ( -5.765 26.975 0.215) 27.585 14.411 ( -13.664 36.672 -4.108) 39.350 15.036 ( -19.317 -7.878 -1.991) 20.957 16.818 ( -1.760 -13.557 -0.734) 13.690 44.332 ( 0.652 -24.742 -2.564) 24.883 44.333 ( 1.048 -21.863 -1.653) 21.950 97.757 ( -0.049 2.736 0.379) 2.763 97.817 ( 0.222 1.748 0.437) 1.816 99.952 ( 0.138 0.678 0.085) 0.697 100.005 ( 0.324 -0.191 0.286) 0.473 ======================= Grid point 340 (174/315) ======================= q-point: (-0.09 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -2.628 13.436 9.714) 16.787 2.246 ( 4.123 18.391 4.487) 19.374 2.982 ( -0.245 4.070 -1.794) 4.455 3.085 ( 3.555 3.859 -5.152) 7.354 3.454 ( -4.406 11.044 2.720) 12.198 3.662 ( 3.795 12.625 -5.560) 14.308 3.990 ( -9.861 -2.410 -2.170) 10.380 4.218 ( -10.397 -3.432 2.734) 11.286 5.709 ( 3.627 17.300 -8.708) 19.705 5.985 ( -1.069 5.292 -8.318) 9.916 6.930 ( 6.201 3.815 7.522) 10.468 7.387 ( 6.481 -0.912 7.156) 9.697 9.821 ( -6.054 38.392 -0.767) 38.874 11.989 ( -1.273 14.500 6.152) 15.802 13.341 ( 1.972 25.447 -1.241) 25.554 14.098 ( -14.237 28.020 -2.832) 31.557 14.762 ( -8.075 3.205 -0.109) 8.688 16.795 ( -0.456 -14.988 -0.054) 14.995 44.334 ( 0.254 -24.081 -2.427) 24.204 44.351 ( 1.039 -23.706 -1.866) 23.802 97.758 ( -0.014 2.742 0.350) 2.765 97.821 ( -0.003 1.748 0.402) 1.794 99.955 ( 0.117 0.672 0.079) 0.687 100.011 ( 0.184 -0.169 0.376) 0.451 ======================= Grid point 341 (175/315) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -0.758 15.019 3.206) 15.376 2.620 ( 0.064 14.131 0.883) 14.158 3.010 ( -0.187 -1.973 -2.821) 3.447 3.169 ( 7.629 -6.004 -5.617) 11.216 3.662 ( -1.994 11.283 0.268) 11.461 3.806 ( -7.370 3.713 0.140) 8.254 3.933 ( 2.064 7.644 -3.608) 8.701 4.005 ( -0.537 -5.858 2.616) 6.438 5.954 ( -0.109 5.813 -8.198) 10.050 6.042 ( -2.006 4.584 -6.382) 8.110 7.127 ( -2.550 8.047 12.102) 14.755 7.472 ( -1.315 -0.094 4.491) 4.681 10.543 ( 2.040 36.719 0.242) 36.777 12.092 ( 1.947 -5.588 5.997) 8.425 13.884 ( 2.889 21.302 -1.703) 21.565 14.313 ( 2.863 9.593 -1.733) 10.160 15.013 ( 0.564 22.501 1.886) 22.587 16.448 ( 0.960 -18.813 1.023) 18.865 43.870 ( 0.027 -17.544 -2.991) 17.798 43.944 ( 0.436 -17.327 -2.612) 17.529 97.810 ( -0.070 2.224 0.313) 2.247 97.850 ( -0.172 1.051 0.334) 1.116 99.970 ( -0.003 0.694 0.173) 0.716 100.009 ( -0.010 -0.402 0.444) 0.599 ======================= Grid point 342 (176/315) ======================= q-point: ( 0.09 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -2.123 13.422 3.331) 13.991 2.620 ( -0.739 13.425 2.334) 13.646 2.981 ( -1.936 -2.691 -2.034) 3.890 3.263 ( 2.849 -5.281 -5.044) 7.839 3.611 ( -4.157 12.556 -1.955) 13.370 3.706 ( -1.723 1.776 2.094) 3.241 3.997 ( 6.103 4.406 -3.317) 8.226 4.112 ( 9.656 -5.601 1.717) 11.295 5.910 ( -2.285 5.822 -6.683) 9.153 5.958 ( -4.606 5.354 -6.027) 9.284 7.010 ( -11.595 7.485 11.250) 17.805 7.347 ( -11.646 -0.733 3.727) 12.250 10.673 ( 9.818 37.355 0.340) 38.625 12.191 ( 5.457 -3.943 5.321) 8.582 13.938 ( 4.656 23.792 -0.446) 24.247 14.548 ( 19.956 5.896 -3.242) 21.060 15.083 ( 5.606 23.625 1.290) 24.315 16.495 ( 3.196 -17.388 0.650) 17.691 43.863 ( 0.110 -17.339 -2.901) 17.580 43.944 ( 0.313 -17.491 -2.621) 17.689 97.809 ( -0.122 2.173 0.321) 2.200 97.846 ( -0.319 1.100 0.352) 1.198 99.969 ( -0.149 0.693 0.166) 0.728 100.008 ( -0.178 -0.413 0.414) 0.612 ======================= Grid point 343 (177/315) ======================= q-point: ( 0.18 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.337 10.803 4.028) 11.534 2.589 ( -3.301 11.101 5.415) 12.785 2.920 ( -4.217 -2.800 -0.143) 5.064 3.278 ( 0.440 -4.103 -2.428) 4.788 3.519 ( -3.983 9.453 -1.582) 10.379 3.675 ( -2.612 4.634 -0.150) 5.322 4.162 ( 10.620 -0.108 -2.821) 10.988 4.366 ( 14.599 -7.154 1.235) 16.304 5.802 ( -7.018 9.434 -5.819) 13.120 5.860 ( -3.318 2.847 -4.759) 6.462 6.766 ( -14.882 5.867 8.780) 18.248 7.071 ( -16.042 -2.390 3.380) 16.568 10.885 ( 10.404 37.708 0.590) 39.121 12.297 ( 3.244 -0.783 4.173) 5.343 14.111 ( 12.929 26.597 0.338) 29.575 15.027 ( 27.839 -2.903 -4.442) 28.341 15.220 ( 7.741 28.358 -0.841) 29.407 16.564 ( 3.399 -14.229 -0.394) 14.635 43.859 ( 0.281 -16.884 -2.716) 17.103 43.942 ( 0.211 -17.399 -2.581) 17.590 97.807 ( -0.135 2.098 0.347) 2.131 97.839 ( -0.391 1.156 0.395) 1.283 99.966 ( -0.258 0.686 0.158) 0.750 100.004 ( -0.288 -0.431 0.325) 0.612 ======================= Grid point 344 (178/315) ======================= q-point: ( 0.27 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 4.282 8.361 3.879) 10.163 2.535 ( -3.690 8.819 7.532) 12.171 2.810 ( -6.729 -2.388 1.108) 7.226 3.258 ( -3.424 -7.873 2.237) 8.872 3.463 ( -0.520 9.963 -1.701) 10.121 3.612 ( -2.857 6.004 -0.928) 6.714 4.377 ( 11.182 -1.976 -1.237) 11.422 4.655 ( 13.166 -9.819 0.837) 16.446 5.635 ( -7.829 10.958 -4.253) 14.123 5.783 ( -3.388 1.917 -3.873) 5.491 6.495 ( -13.740 5.004 4.573) 15.321 6.772 ( -14.161 -4.250 3.265) 15.141 11.064 ( 7.191 37.146 1.078) 37.851 12.337 ( -0.059 1.838 3.270) 3.752 14.431 ( 18.351 28.908 -0.329) 34.242 15.329 ( 4.929 21.627 -1.717) 22.248 15.602 ( 28.091 1.284 -6.346) 28.828 16.616 ( 1.973 -10.849 -1.942) 11.197 43.860 ( 0.468 -16.322 -2.502) 16.519 43.939 ( 0.183 -17.097 -2.494) 17.279 97.806 ( -0.095 2.012 0.385) 2.050 97.833 ( -0.382 1.212 0.449) 1.347 99.961 ( -0.275 0.668 0.165) 0.742 99.999 ( -0.328 -0.446 0.189) 0.585 ======================= Grid point 345 (179/315) ======================= q-point: ( 0.36 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 5.546 5.735 1.619) 8.141 2.492 ( -2.491 6.087 7.469) 9.951 2.675 ( -6.838 -0.064 2.404) 7.248 3.143 ( -8.616 -7.317 5.862) 12.733 3.493 ( 3.147 7.201 0.092) 7.860 3.582 ( 0.344 5.783 -0.192) 5.796 4.588 ( 9.919 -3.093 0.493) 10.402 4.856 ( 6.094 -11.576 1.326) 13.149 5.496 ( -4.341 11.302 -3.037) 12.482 5.705 ( -3.342 1.726 -3.122) 4.888 6.270 ( -9.048 4.667 0.265) 10.185 6.548 ( -8.968 -5.620 2.633) 10.906 11.176 ( 3.752 36.139 1.619) 36.370 12.325 ( -1.710 3.355 2.612) 4.583 14.794 ( 17.320 29.925 -1.548) 34.610 15.368 ( -0.300 26.748 -3.944) 27.039 16.059 ( 17.468 -3.617 -4.567) 18.414 16.642 ( 2.412 -9.060 -4.771) 10.520 43.864 ( 0.603 -15.832 -2.321) 16.012 43.936 ( 0.219 -16.689 -2.397) 16.862 97.806 ( -0.028 1.926 0.421) 1.971 97.827 ( -0.290 1.265 0.496) 1.389 99.956 ( -0.193 0.636 0.193) 0.692 99.993 ( -0.294 -0.442 0.045) 0.533 ======================= Grid point 346 (180/315) ======================= q-point: ( 0.45 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -2.371 0.497 -1.717) 2.969 2.471 ( -0.281 0.110 3.597) 3.610 2.607 ( 0.345 8.554 7.032) 11.079 2.978 ( -9.334 -3.501 7.900) 12.720 3.554 ( 2.145 5.869 1.554) 6.439 3.637 ( 4.899 3.227 1.305) 6.010 4.762 ( 7.063 -4.599 0.973) 8.484 4.895 ( -2.175 -9.309 2.957) 10.006 5.467 ( 2.125 9.043 -2.505) 9.621 5.653 ( -0.346 2.952 -3.096) 4.292 6.147 ( -3.237 3.363 -2.064) 5.103 6.431 ( -3.462 -6.447 1.725) 7.518 11.225 ( 0.732 35.381 2.012) 35.446 12.293 ( -1.883 4.018 2.137) 4.925 15.044 ( 5.027 28.227 -2.212) 28.757 15.320 ( -0.595 30.369 -5.419) 30.855 16.208 ( -1.279 -3.854 -1.628) 4.375 16.717 ( 6.240 -9.656 -8.104) 14.066 43.870 ( 0.650 -15.566 -2.215) 15.736 43.935 ( 0.283 -16.304 -2.335) 16.472 97.807 ( -0.007 1.869 0.442) 1.921 97.825 ( -0.093 1.301 0.523) 1.405 99.954 ( -0.047 0.593 0.228) 0.637 99.988 ( -0.194 -0.412 -0.059) 0.459 ======================= Grid point 347 (181/315) ======================= q-point: (-0.45 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -5.784 3.696 0.063) 6.864 2.532 ( 4.893 -3.265 1.286) 6.022 2.647 ( -1.033 6.956 8.184) 10.790 2.837 ( -5.852 -0.360 7.320) 9.379 3.598 ( 2.363 6.760 0.495) 7.178 3.744 ( 4.521 2.116 1.922) 5.349 4.826 ( -4.996 -5.435 4.071) 8.431 4.847 ( 0.551 -5.417 -0.544) 5.472 5.555 ( 6.710 8.856 -0.192) 11.113 5.698 ( 6.549 2.438 -5.235) 8.732 6.119 ( 0.781 1.742 -1.972) 2.744 6.421 ( 1.980 -7.299 2.118) 7.853 11.216 ( -2.174 35.272 2.137) 35.403 12.267 ( -1.326 4.017 1.982) 4.672 14.903 ( -14.930 28.015 -2.866) 31.874 15.381 ( 4.631 28.939 -4.653) 29.674 16.064 ( -11.478 -3.562 -2.622) 12.301 16.780 ( 1.328 -9.983 -7.189) 12.374 43.877 ( 0.610 -15.605 -2.207) 15.772 43.935 ( 0.342 -16.059 -2.342) 16.232 97.808 ( -0.051 1.890 0.446) 1.942 97.827 ( 0.164 1.281 0.519) 1.392 99.956 ( 0.088 0.561 0.245) 0.618 99.985 ( -0.028 -0.367 -0.076) 0.376 ======================= Grid point 348 (182/315) ======================= q-point: (-0.36 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -1.132 9.494 1.684) 9.708 2.548 ( -8.875 5.698 9.703) 14.331 2.672 ( 7.229 -4.147 2.819) 8.798 2.822 ( 1.723 -2.082 2.561) 3.723 3.658 ( 3.858 8.178 -1.147) 9.115 3.807 ( 1.367 3.757 0.958) 4.111 4.718 ( -7.597 -3.582 2.443) 8.747 4.775 ( -6.886 -3.592 -0.434) 7.779 5.700 ( 7.410 10.737 -2.398) 13.264 5.883 ( 12.073 0.507 -6.662) 13.798 6.174 ( 5.898 0.941 1.284) 6.109 6.527 ( 7.911 -7.823 4.730) 12.089 11.148 ( -5.329 35.833 1.864) 36.275 12.250 ( -1.111 3.362 2.302) 4.224 14.537 ( -19.889 27.687 -1.809) 34.138 15.400 ( -2.168 21.209 -3.112) 21.546 15.758 ( -17.914 0.782 -5.096) 18.641 16.734 ( -3.759 -10.307 -4.715) 11.941 43.882 ( 0.510 -15.939 -2.304) 16.113 43.935 ( 0.384 -16.022 -2.410) 16.207 97.808 ( -0.049 1.991 0.429) 2.037 97.833 ( 0.310 1.200 0.487) 1.332 99.959 ( 0.146 0.563 0.217) 0.621 99.987 ( 0.182 -0.339 0.021) 0.386 ======================= Grid point 349 (183/315) ======================= q-point: (-0.27 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 3.616 13.616 2.572) 14.320 2.397 ( -7.368 8.872 10.152) 15.364 2.831 ( 7.507 -4.298 1.316) 8.750 2.878 ( 3.106 -5.654 0.437) 6.465 3.739 ( 4.577 8.681 -2.900) 10.233 3.806 ( -1.474 6.561 0.238) 6.729 4.505 ( -13.392 -1.078 -1.977) 13.580 4.615 ( -9.506 -3.060 2.872) 10.391 5.824 ( 6.418 10.461 -7.213) 14.235 6.033 ( 4.827 0.932 -8.366) 9.704 6.414 ( 16.022 1.372 6.849) 17.478 6.761 ( 13.802 -6.652 7.302) 16.972 11.011 ( -8.981 36.674 1.189) 37.777 12.226 ( -2.282 1.812 3.129) 4.276 14.155 ( -17.047 25.840 -0.348) 30.959 15.230 ( -17.295 -8.865 -1.798) 19.517 15.397 ( -12.628 29.765 -5.673) 32.827 16.629 ( -5.303 -11.961 -2.398) 13.302 43.884 ( 0.371 -16.476 -2.500) 16.669 43.937 ( 0.425 -16.193 -2.491) 16.389 97.808 ( -0.012 2.114 0.395) 2.150 97.841 ( 0.308 1.109 0.440) 1.232 99.962 ( 0.152 0.604 0.168) 0.645 99.992 ( 0.330 -0.344 0.187) 0.512 ======================= Grid point 350 (184/315) ======================= q-point: (-0.18 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -3.982 12.660 6.009) 14.568 2.451 ( 7.333 14.305 4.561) 16.710 2.938 ( 3.556 -7.348 -2.090) 8.427 2.961 ( 4.719 -2.409 0.113) 5.299 3.760 ( -2.557 9.057 -0.563) 9.428 3.818 ( 3.782 7.973 -3.124) 9.361 4.219 ( -13.733 0.976 -2.391) 13.973 4.401 ( -12.769 -3.174 2.659) 13.424 5.913 ( 4.703 9.020 -9.326) 13.801 6.072 ( 1.918 2.006 -7.659) 8.147 6.760 ( 15.179 3.613 9.756) 18.402 7.086 ( 15.721 -4.028 7.146) 17.732 10.806 ( -11.323 37.070 0.505) 38.764 12.170 ( -4.347 -0.975 4.355) 6.230 13.898 ( -8.230 23.516 0.260) 24.916 14.801 ( -21.277 -4.924 -3.680) 22.147 15.198 ( -8.454 28.662 -1.225) 29.908 16.525 ( -4.485 -14.937 -0.666) 15.610 43.883 ( 0.206 -17.042 -2.746) 17.263 43.939 ( 0.478 -16.532 -2.543) 16.733 97.809 ( 0.008 2.204 0.356) 2.233 97.847 ( 0.196 1.046 0.389) 1.133 99.966 ( 0.151 0.654 0.153) 0.689 100.000 ( 0.320 -0.369 0.330) 0.589 ======================= Grid point 351 (185/315) ======================= q-point: (-0.09 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -0.657 14.577 4.315) 15.217 2.586 ( 4.005 14.449 2.368) 15.180 2.999 ( 2.540 -5.269 -3.277) 6.705 3.040 ( 5.200 -2.561 -2.722) 6.404 3.709 ( -2.554 10.965 0.647) 11.277 3.869 ( 1.941 5.204 -3.673) 6.659 3.987 ( -8.026 3.377 -2.348) 9.019 4.146 ( -12.567 -3.249 2.925) 13.305 5.957 ( 2.315 7.131 -9.438) 12.053 6.075 ( 0.320 3.343 -6.776) 7.563 7.033 ( 8.454 6.492 11.652) 15.792 7.369 ( 9.816 -1.390 5.698) 11.434 10.605 ( -7.756 36.780 0.230) 37.589 12.097 ( -3.554 -4.222 5.560) 7.834 13.832 ( 0.978 21.612 -0.608) 21.643 14.438 ( -13.249 4.977 -2.751) 14.418 15.057 ( -5.250 24.109 1.042) 24.696 16.457 ( -2.114 -17.774 0.536) 17.908 43.878 ( 0.067 -17.438 -2.937) 17.684 43.942 ( 0.500 -16.959 -2.579) 17.162 97.810 ( -0.015 2.240 0.325) 2.263 97.850 ( 0.018 1.028 0.349) 1.086 99.969 ( 0.109 0.686 0.165) 0.714 100.006 ( 0.179 -0.390 0.416) 0.597 ======================= Grid point 352 (186/315) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -0.626 14.572 -1.512) 14.663 2.796 ( -1.662 -4.776 -3.122) 5.943 2.929 ( 3.665 2.983 -1.557) 4.976 3.058 ( 4.450 -5.613 -1.619) 7.343 3.782 ( -3.612 4.103 1.966) 5.810 3.879 ( -5.006 -4.996 3.221) 7.771 3.958 ( 0.077 6.187 -3.446) 7.083 4.022 ( 0.248 0.501 -3.722) 3.764 6.038 ( -0.891 3.056 -6.223) 6.990 6.080 ( -1.266 -0.654 -5.934) 6.103 7.301 ( -1.935 7.978 9.738) 12.736 7.430 ( -1.466 -4.196 6.633) 7.984 11.253 ( 2.237 31.379 1.920) 31.517 11.805 ( 2.253 -21.293 3.963) 21.776 14.238 ( 3.502 12.566 -0.979) 13.082 14.388 ( 3.148 -1.886 -0.930) 3.786 15.524 ( 0.578 25.319 1.932) 25.399 16.021 ( 0.859 -22.578 1.606) 22.651 43.638 ( 0.133 -4.696 -3.208) 5.689 43.675 ( 0.266 -7.994 -3.104) 8.579 97.847 ( -0.102 1.251 0.307) 1.292 97.860 ( -0.133 -0.055 0.311) 0.343 99.985 ( -0.013 0.689 0.287) 0.747 99.998 ( -0.016 -0.596 0.393) 0.714 ======================= Grid point 353 (187/315) ======================= q-point: ( 0.09 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -3.699 13.323 -0.955) 13.860 2.725 ( -4.435 -6.593 -2.405) 8.302 2.981 ( 1.748 6.567 0.186) 6.798 3.137 ( 3.013 -6.916 -1.471) 7.686 3.747 ( -1.242 2.268 2.033) 3.289 3.768 ( -5.045 2.080 0.676) 5.499 4.042 ( 6.857 0.048 -1.575) 7.036 4.054 ( 5.198 0.102 -3.591) 6.319 5.986 ( -2.686 2.632 -5.032) 6.282 6.017 ( -3.529 0.143 -5.344) 6.406 7.172 ( -12.629 7.560 8.878) 17.189 7.298 ( -12.652 -4.291 5.760) 14.548 11.389 ( 9.686 31.335 1.821) 32.848 11.931 ( 8.200 -20.392 3.627) 22.276 14.342 ( 8.106 14.971 -0.558) 17.034 14.547 ( 12.880 -4.939 -1.364) 13.862 15.611 ( 7.288 25.299 0.979) 26.346 16.095 ( 5.761 -21.455 0.939) 22.235 43.634 ( 0.365 -4.592 -3.139) 5.575 43.673 ( 0.378 -8.078 -3.061) 8.647 97.845 ( -0.190 1.204 0.318) 1.260 97.857 ( -0.255 -0.008 0.326) 0.414 99.984 ( -0.169 0.691 0.272) 0.761 99.997 ( -0.182 -0.603 0.369) 0.730 ======================= Grid point 354 (188/315) ======================= q-point: ( 0.18 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -2.173 11.041 0.812) 11.282 2.629 ( -4.320 -6.873 -0.416) 8.129 2.979 ( -2.904 8.216 3.544) 9.407 3.150 ( -1.719 -7.540 1.550) 7.887 3.676 ( -3.566 5.067 -0.565) 6.222 3.726 ( -1.957 0.159 -0.850) 2.140 4.181 ( 9.350 1.805 -2.271) 9.789 4.243 ( 11.760 -4.483 -0.516) 12.596 5.906 ( -4.058 1.789 -4.221) 6.122 5.913 ( -5.457 1.641 -4.778) 7.437 6.894 ( -16.424 6.225 7.242) 18.999 7.005 ( -17.036 -4.254 4.670) 18.169 11.593 ( 9.259 30.195 1.689) 31.628 12.097 ( 6.651 -17.917 3.038) 19.352 14.580 ( 15.891 18.555 -0.454) 24.434 14.875 ( 19.929 -10.399 -1.758) 22.548 15.791 ( 10.221 24.597 -1.505) 26.678 16.231 ( 7.318 -18.408 -0.785) 19.825 43.635 ( 0.614 -4.517 -2.966) 5.438 43.674 ( 0.500 -7.956 -2.931) 8.493 97.841 ( -0.226 1.127 0.350) 1.201 97.852 ( -0.316 0.062 0.365) 0.486 99.980 ( -0.281 0.684 0.237) 0.776 99.993 ( -0.295 -0.606 0.302) 0.739 ======================= Grid point 355 (189/315) ======================= q-point: ( 0.27 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 1.156 7.653 2.121) 8.025 2.562 ( -2.589 -4.877 1.227) 5.656 2.893 ( -6.535 8.868 6.398) 12.739 3.083 ( -5.638 -8.992 5.041) 11.750 3.624 ( -1.343 5.376 -1.387) 5.712 3.678 ( -2.056 0.252 -1.404) 2.502 4.380 ( 10.341 2.422 -0.467) 10.631 4.478 ( 11.058 -6.959 0.415) 13.072 5.781 ( -6.283 3.604 -3.835) 8.195 5.808 ( -4.602 0.364 -3.619) 5.866 6.597 ( -14.406 4.871 4.352) 15.817 6.690 ( -14.974 -4.038 3.167) 15.829 11.743 ( 5.356 28.123 1.736) 28.681 12.196 ( 2.581 -15.059 2.584) 15.496 14.943 ( 19.859 20.611 -1.220) 28.648 15.282 ( 20.034 -12.346 -1.990) 23.616 15.987 ( 10.078 21.612 -4.370) 24.243 16.359 ( 5.625 -14.677 -2.856) 15.975 43.642 ( 0.791 -4.485 -2.750) 5.320 43.677 ( 0.601 -7.677 -2.750) 8.176 97.838 ( -0.197 1.031 0.391) 1.120 97.847 ( -0.301 0.146 0.413) 0.532 99.974 ( -0.306 0.668 0.198) 0.761 99.988 ( -0.328 -0.602 0.209) 0.716 ======================= Grid point 356 (190/315) ======================= q-point: ( 0.36 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 1.012 3.396 1.492) 3.845 2.519 ( -2.666 -1.962 1.591) 3.672 2.791 ( -4.628 8.975 8.435) 13.158 2.976 ( -6.167 -8.653 7.636) 13.086 3.617 ( 0.843 4.162 -0.430) 4.268 3.652 ( -0.075 0.872 -0.475) 0.996 4.566 ( 8.007 1.487 1.321) 8.250 4.657 ( 6.390 -7.300 1.590) 9.831 5.661 ( -4.371 4.874 -2.805) 7.122 5.715 ( -3.544 -0.799 -2.841) 4.612 6.366 ( -9.397 4.400 0.804) 10.407 6.451 ( -9.447 -4.105 1.225) 10.373 11.820 ( 2.099 25.935 1.836) 26.084 12.224 ( -0.065 -12.736 2.226) 12.929 15.310 ( 16.230 19.942 -2.126) 25.799 15.593 ( 10.659 -5.545 -2.493) 12.271 16.159 ( 8.178 13.383 -5.783) 16.716 16.435 ( 3.493 -11.657 -5.220) 13.241 43.651 ( 0.830 -4.491 -2.559) 5.236 43.682 ( 0.640 -7.346 -2.575) 7.811 97.836 ( -0.120 0.931 0.428) 1.031 97.843 ( -0.216 0.233 0.456) 0.556 99.969 ( -0.235 0.633 0.171) 0.697 99.982 ( -0.274 -0.577 0.116) 0.649 ======================= Grid point 357 (191/315) ======================= q-point: ( 0.45 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -2.956 0.971 -0.070) 3.112 2.464 ( -2.153 -0.697 1.697) 2.828 2.772 ( -0.591 7.005 9.158) 11.545 2.893 ( -4.801 -4.821 9.222) 11.460 3.651 ( 2.340 3.198 0.567) 4.002 3.678 ( 2.874 0.498 0.543) 2.967 4.698 ( 4.612 -1.014 2.403) 5.299 4.738 ( 1.376 -5.058 2.909) 5.994 5.613 ( 0.628 4.829 -2.063) 5.288 5.671 ( 0.291 -0.976 -2.340) 2.552 6.232 ( -4.062 4.371 -1.642) 6.189 6.321 ( -3.876 -4.503 -0.457) 5.959 11.844 ( -0.094 24.386 1.897) 24.460 12.216 ( -1.184 -11.289 1.951) 11.517 15.510 ( 2.418 16.754 -2.441) 17.102 15.691 ( 1.332 2.420 -3.795) 4.694 16.241 ( 1.006 9.493 -4.863) 10.714 16.496 ( 4.609 -12.202 -7.412) 15.003 43.660 ( 0.720 -4.526 -2.448) 5.195 43.688 ( 0.588 -7.077 -2.469) 7.518 97.836 ( -0.036 0.864 0.450) 0.975 97.842 ( -0.068 0.291 0.482) 0.567 99.966 ( -0.095 0.576 0.163) 0.606 99.978 ( -0.151 -0.523 0.054) 0.547 ======================= Grid point 358 (192/315) ======================= q-point: (-0.45 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -1.097 3.656 0.868) 3.915 2.466 ( 2.143 -3.230 1.240) 4.069 2.766 ( -3.522 4.263 8.827) 10.416 2.823 ( -4.588 -1.432 8.414) 9.690 3.711 ( 3.658 4.016 0.331) 5.442 3.760 ( 4.540 -0.713 0.948) 4.692 4.740 ( -1.948 -1.976 3.353) 4.352 4.754 ( -0.009 -3.089 2.175) 3.778 5.683 ( 6.849 3.834 -1.271) 7.952 5.724 ( 5.824 -0.288 -2.931) 6.526 6.191 ( 0.371 4.571 -1.802) 4.927 6.293 ( 1.207 -5.354 -0.375) 5.501 11.829 ( -1.886 23.972 1.923) 24.123 12.193 ( -1.614 -10.946 1.874) 11.222 15.377 ( -13.318 17.921 -3.001) 22.529 15.630 ( -7.826 -4.923 -3.225) 9.792 16.206 ( -2.214 16.779 -5.529) 17.805 16.541 ( 0.947 -13.885 -6.738) 15.462 43.665 ( 0.508 -4.586 -2.445) 5.222 43.691 ( 0.457 -6.944 -2.470) 7.384 97.837 ( 0.025 0.890 0.452) 0.999 97.843 ( 0.101 0.264 0.480) 0.558 99.967 ( 0.059 0.512 0.171) 0.543 99.977 ( 0.012 -0.454 0.047) 0.456 ======================= Grid point 359 (193/315) ======================= q-point: (-0.36 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 3.504 7.485 1.943) 8.490 2.554 ( 5.577 -5.117 1.631) 7.743 2.683 ( -5.818 4.790 8.826) 11.606 2.769 ( -2.727 -3.327 5.460) 6.951 3.792 ( 4.326 4.633 -0.665) 6.374 3.844 ( 3.473 -0.329 0.123) 3.491 4.672 ( -5.955 -0.463 2.205) 6.368 4.700 ( -5.747 -2.957 1.419) 6.617 5.841 ( 8.333 3.657 -4.012) 9.946 5.882 ( 10.217 -0.774 -4.487) 11.186 6.251 ( 6.614 5.720 2.026) 8.976 6.380 ( 7.815 -6.599 2.889) 10.629 11.777 ( -4.072 24.870 1.863) 25.270 12.160 ( -2.454 -11.854 2.051) 12.278 15.027 ( -19.905 19.846 -2.384) 28.209 15.361 ( -17.426 -12.602 -2.602) 21.662 16.121 ( -5.236 21.526 -5.497) 22.826 16.489 ( -4.355 -14.247 -5.052) 15.731 43.666 ( 0.268 -4.670 -2.553) 5.329 43.692 ( 0.298 -6.970 -2.577) 7.438 97.839 ( 0.081 0.998 0.431) 1.090 97.848 ( 0.204 0.164 0.453) 0.524 99.969 ( 0.168 0.486 0.182) 0.545 99.979 ( 0.180 -0.416 0.106) 0.465 ======================= Grid point 360 (194/315) ======================= q-point: (-0.27 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 5.334 9.675 2.119) 11.249 2.567 ( -2.996 6.926 6.534) 9.982 2.729 ( 7.385 -5.310 2.703) 9.489 2.751 ( -0.067 -6.445 2.924) 7.077 3.868 ( 3.402 3.741 -2.029) 5.449 3.891 ( 1.322 1.539 -0.811) 2.185 4.505 ( -10.925 1.122 -0.232) 10.985 4.549 ( -9.669 -2.963 1.491) 10.222 5.968 ( 5.825 4.278 -7.810) 10.641 6.027 ( 5.554 -1.644 -7.533) 9.502 6.498 ( 16.153 6.026 7.971) 18.993 6.630 ( 15.556 -6.368 6.825) 18.141 11.670 ( -7.413 26.816 1.673) 27.872 12.096 ( -4.826 -14.023 2.430) 15.028 14.626 ( -18.676 19.735 -1.106) 27.194 14.974 ( -19.585 -14.362 -2.002) 24.369 15.964 ( -9.061 23.051 -4.022) 25.092 16.354 ( -7.606 -15.413 -3.106) 17.466 43.662 ( 0.072 -4.756 -2.746) 5.492 43.689 ( 0.178 -7.143 -2.750) 7.656 97.842 ( 0.107 1.121 0.394) 1.193 97.853 ( 0.217 0.052 0.410) 0.467 99.974 ( 0.214 0.530 0.199) 0.605 99.984 ( 0.285 -0.447 0.208) 0.569 ======================= Grid point 361 (195/315) ======================= q-point: (-0.18 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -0.941 11.607 3.044) 12.036 2.683 ( 7.096 4.372 1.981) 8.566 2.778 ( 2.154 -4.224 0.952) 4.836 2.881 ( 6.560 -5.580 1.187) 8.693 3.892 ( -0.485 3.653 -1.565) 4.004 3.913 ( 1.274 1.578 -2.041) 2.877 4.265 ( -12.017 3.100 -1.417) 12.491 4.333 ( -11.989 -3.335 0.725) 12.465 6.034 ( 3.253 3.723 -8.425) 9.769 6.084 ( 2.739 -1.065 -7.532) 8.085 6.869 ( 17.249 6.319 9.868) 20.853 6.993 ( 17.562 -5.303 7.821) 19.943 11.493 ( -10.375 29.024 1.562) 30.862 11.976 ( -7.757 -17.152 2.994) 19.061 14.326 ( -10.601 17.689 -0.230) 20.624 14.624 ( -14.246 -11.340 -1.370) 18.260 15.759 ( -10.143 24.089 -1.631) 26.188 16.189 ( -7.897 -18.080 -1.043) 19.757 43.655 ( -0.030 -4.805 -2.969) 5.648 43.685 ( 0.139 -7.422 -2.926) 7.979 97.845 ( 0.080 1.214 0.352) 1.267 97.858 ( 0.146 -0.029 0.363) 0.392 99.979 ( 0.204 0.608 0.235) 0.683 99.990 ( 0.272 -0.516 0.305) 0.658 ======================= Grid point 362 (196/315) ======================= q-point: (-0.09 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 1.516 13.982 0.179) 14.065 2.801 ( 2.834 -11.491 -2.722) 12.144 2.837 ( 4.723 9.409 0.754) 10.555 2.984 ( 3.880 -4.636 -0.264) 6.051 3.860 ( -3.038 4.153 0.444) 5.165 3.907 ( -0.938 -0.333 -1.390) 1.710 4.071 ( -5.623 2.801 -2.893) 6.916 4.101 ( -10.686 -0.950 0.075) 10.729 6.055 ( 1.107 3.300 -7.549) 8.313 6.101 ( 0.881 -0.870 -6.712) 6.825 7.184 ( 10.499 7.404 10.159) 16.379 7.311 ( 11.034 -4.538 7.393) 14.036 11.306 ( -7.504 30.606 1.745) 31.561 11.837 ( -5.971 -20.059 3.655) 21.245 14.210 ( -1.396 14.625 -0.428) 14.698 14.421 ( -5.849 -5.684 -1.032) 8.221 15.583 ( -6.653 24.923 0.782) 25.808 16.058 ( -4.750 -21.097 0.784) 21.639 43.646 ( -0.011 -4.782 -3.145) 5.723 43.679 ( 0.179 -7.741 -3.054) 8.323 97.847 ( 0.001 1.258 0.319) 1.298 97.861 ( 0.016 -0.065 0.325) 0.332 99.983 ( 0.125 0.666 0.272) 0.730 99.996 ( 0.155 -0.571 0.370) 0.698 ======================= Grid point 429 (197/315) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.750 0.000 16.036) 16.054 1.235 ( 1.752 0.000 12.866) 12.985 1.986 ( -0.270 0.000 -11.340) 11.343 2.190 ( 4.684 0.000 20.965) 21.481 2.537 ( -5.683 0.000 -6.266) 8.459 3.711 ( 0.400 0.000 4.483) 4.501 3.770 ( -9.136 0.000 0.234) 9.139 4.049 ( -0.046 0.000 -3.931) 3.932 4.328 ( -9.221 0.000 4.139) 10.107 4.517 ( 16.999 0.000 -3.563) 17.368 6.643 ( -3.784 0.000 -4.255) 5.694 7.158 ( 1.595 0.000 3.432) 3.784 8.612 ( -2.450 0.000 -0.058) 2.450 10.271 ( -0.198 0.000 -1.068) 1.086 11.639 ( -0.673 0.000 1.942) 2.055 12.156 ( -0.081 0.000 -1.677) 1.679 14.877 ( 5.212 0.000 -0.001) 5.212 17.386 ( -1.362 0.000 -1.721) 2.195 45.562 ( 0.567 0.000 1.312) 1.429 46.080 ( 0.501 0.000 -2.328) 2.381 97.624 ( -0.072 0.000 -0.113) 0.134 97.722 ( -0.261 0.000 0.482) 0.548 99.914 ( 0.016 0.000 0.103) 0.104 100.007 ( 0.042 0.000 -0.077) 0.088 ======================= Grid point 430 (198/315) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 9.159 0.000 12.464) 15.467 1.532 ( 22.111 0.000 10.091) 24.304 1.995 ( 4.149 0.000 -9.859) 10.696 2.120 ( -11.150 0.000 9.344) 14.547 2.796 ( 25.527 0.000 2.772) 25.677 3.735 ( 0.717 0.000 3.821) 3.888 3.753 ( 3.665 0.000 -0.768) 3.744 4.036 ( -0.147 0.000 -3.702) 3.705 4.316 ( 8.745 0.000 0.015) 8.745 4.876 ( 18.979 0.000 -4.789) 19.574 6.593 ( -0.716 0.000 -0.508) 0.878 7.186 ( 0.442 0.000 1.506) 1.570 8.458 ( -12.219 0.000 2.822) 12.540 10.258 ( -0.805 0.000 -0.777) 1.118 11.637 ( -0.111 0.000 2.118) 2.121 12.135 ( -1.586 0.000 -1.192) 1.984 15.201 ( 25.424 0.000 -6.926) 26.351 17.354 ( -1.618 0.000 -0.445) 1.678 45.572 ( 0.191 0.000 0.692) 0.718 46.047 ( -3.015 0.000 -2.287) 3.784 97.621 ( -0.195 0.000 0.067) 0.206 97.716 ( -0.507 0.000 0.651) 0.825 99.914 ( -0.048 0.000 0.066) 0.082 100.007 ( -0.037 0.000 -0.098) 0.105 ======================= Grid point 431 (199/315) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 11.738 0.000 6.568) 13.450 1.884 ( -4.670 0.000 15.393) 16.085 2.092 ( 7.529 0.000 -6.054) 9.661 2.128 ( 25.335 0.000 -1.528) 25.381 3.342 ( 24.085 0.000 6.099) 24.845 3.758 ( 0.712 0.000 2.874) 2.961 3.767 ( -0.019 0.000 -5.868) 5.868 4.027 ( 0.246 0.000 -3.090) 3.100 4.655 ( 22.906 0.000 -7.365) 24.061 5.217 ( 16.376 0.000 -3.798) 16.811 6.599 ( 0.532 0.000 3.860) 3.897 7.182 ( -0.936 0.000 -0.760) 1.205 8.187 ( -15.123 0.000 3.639) 15.555 10.235 ( -1.289 0.000 -0.570) 1.409 11.647 ( 0.566 0.000 2.233) 2.303 12.090 ( -2.667 0.000 -0.465) 2.708 15.741 ( 29.076 0.000 -8.625) 30.329 17.323 ( -1.363 0.000 0.765) 1.563 45.573 ( -0.190 0.000 -0.133) 0.232 45.959 ( -4.998 0.000 -1.734) 5.290 97.618 ( -0.049 0.000 0.194) 0.200 97.706 ( -0.592 0.000 0.730) 0.940 99.912 ( -0.096 0.000 0.009) 0.097 100.005 ( -0.103 0.000 -0.108) 0.149 ======================= Grid point 432 (200/315) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 10.376 0.000 1.804) 10.532 1.856 ( 1.279 0.000 10.865) 10.940 2.242 ( 8.069 0.000 -2.357) 8.407 2.679 ( 26.420 0.000 2.400) 26.529 3.521 ( -6.031 0.000 0.583) 6.059 3.779 ( 0.662 0.000 2.086) 2.189 3.935 ( 16.354 0.000 -2.709) 16.576 4.031 ( 0.929 0.000 -2.186) 2.376 5.079 ( 21.322 0.000 -13.531) 25.253 5.514 ( 14.746 0.000 -1.587) 14.831 6.624 ( 0.222 0.000 8.209) 8.212 7.146 ( -2.168 0.000 -2.704) 3.466 7.901 ( -14.116 0.000 2.689) 14.369 10.205 ( -1.564 0.000 -0.584) 1.669 11.673 ( 1.457 0.000 2.371) 2.783 12.030 ( -3.231 0.000 0.195) 3.236 16.248 ( 22.778 0.000 -5.269) 23.379 17.315 ( 0.655 0.000 0.958) 1.160 45.563 ( -0.661 0.000 -1.103) 1.286 45.853 ( -4.945 0.000 -0.929) 5.031 97.620 ( 0.117 0.000 0.282) 0.306 97.697 ( -0.557 0.000 0.676) 0.876 99.910 ( -0.115 0.000 -0.049) 0.125 100.002 ( -0.133 0.000 -0.103) 0.169 ======================= Grid point 433 (201/315) ======================= q-point: ( 0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 7.942 0.000 -0.114) 7.943 2.007 ( 10.690 0.000 9.567) 14.346 2.371 ( 4.748 0.000 -0.916) 4.836 3.133 ( 16.247 0.000 1.831) 16.349 3.330 ( -10.091 0.000 -0.241) 10.094 3.797 ( 0.680 0.000 1.729) 1.858 4.049 ( 1.268 0.000 -1.361) 1.860 4.173 ( 7.443 0.000 -2.876) 7.980 5.386 ( 12.457 0.000 -13.448) 18.331 5.803 ( 14.634 0.000 -1.770) 14.740 6.659 ( 1.228 0.000 9.841) 9.917 7.086 ( -2.805 0.000 -3.648) 4.601 7.658 ( -10.692 0.000 2.126) 10.901 10.174 ( -1.310 0.000 -0.760) 1.515 11.719 ( 2.476 0.000 2.427) 3.467 11.965 ( -3.383 0.000 0.573) 3.431 16.585 ( 11.835 0.000 -1.086) 11.885 17.362 ( 3.833 0.000 -0.460) 3.860 45.540 ( -1.213 0.000 -1.845) 2.209 45.769 ( -3.135 0.000 -0.154) 3.139 97.624 ( 0.183 0.000 0.393) 0.433 97.688 ( -0.434 0.000 0.543) 0.695 99.908 ( -0.100 0.000 -0.089) 0.134 99.999 ( -0.115 0.000 -0.088) 0.145 ======================= Grid point 434 (202/315) ======================= q-point: ( 0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 4.554 0.000 -0.895) 4.641 2.303 ( 15.857 0.000 6.249) 17.044 2.412 ( -0.299 0.000 -0.219) 0.371 3.008 ( -15.292 0.000 -0.692) 15.308 3.455 ( 9.218 0.000 2.486) 9.547 3.812 ( 0.167 0.000 1.581) 1.590 4.070 ( 1.077 0.000 -0.988) 1.462 4.217 ( -2.307 0.000 -1.119) 2.564 5.483 ( 0.328 0.000 -8.076) 8.083 6.047 ( 9.645 0.000 -5.625) 11.166 6.745 ( 5.515 0.000 5.850) 8.040 7.022 ( -2.539 0.000 -3.171) 4.062 7.503 ( -5.413 0.000 3.368) 6.376 10.154 ( -0.363 0.000 -0.949) 1.016 11.784 ( 3.390 0.000 2.142) 4.010 11.900 ( -3.289 0.000 0.707) 3.364 16.726 ( 2.974 0.000 1.179) 3.199 17.440 ( 3.677 0.000 -2.199) 4.284 45.509 ( -1.282 0.000 -1.676) 2.110 45.732 ( -0.624 0.000 -0.039) 0.625 97.628 ( 0.074 0.000 0.472) 0.477 97.683 ( -0.181 0.000 0.424) 0.461 99.906 ( -0.056 0.000 -0.095) 0.110 99.997 ( -0.056 0.000 -0.067) 0.088 ======================= Grid point 435 (203/315) ======================= q-point: (-0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -2.924 0.000 -1.956) 3.518 2.383 ( -1.813 0.000 1.160) 2.152 2.522 ( -4.925 0.000 -4.774) 6.858 2.815 ( 5.694 0.000 8.611) 10.323 3.547 ( -0.939 0.000 -0.333) 0.997 3.807 ( -1.183 0.000 1.566) 1.963 4.084 ( 0.566 0.000 -1.316) 1.433 4.089 ( -10.150 0.000 3.990) 10.906 5.369 ( -9.714 0.000 -3.575) 10.351 6.125 ( 0.192 0.000 -9.131) 9.133 6.895 ( 7.836 0.000 -0.976) 7.896 6.975 ( -1.361 0.000 -1.376) 1.935 7.473 ( 1.529 0.000 5.445) 5.655 10.156 ( 0.930 0.000 -1.068) 1.416 11.833 ( -2.465 0.000 0.160) 2.470 11.869 ( 3.384 0.000 2.004) 3.933 16.724 ( -3.583 0.000 1.111) 3.751 17.477 ( 0.814 0.000 -3.529) 3.622 45.486 ( -0.601 0.000 -0.734) 0.948 45.742 ( 1.634 0.000 -0.480) 1.703 97.628 ( -0.217 0.000 0.472) 0.520 97.685 ( 0.235 0.000 0.367) 0.436 99.905 ( 0.008 0.000 -0.067) 0.068 99.997 ( 0.022 0.000 -0.048) 0.053 ======================= Grid point 436 (204/315) ======================= q-point: (-0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -11.070 0.000 0.000) 11.070 2.233 ( -16.796 0.000 -0.259) 16.798 2.354 ( -1.895 0.000 -0.259) 1.913 3.121 ( 15.725 0.000 1.862) 15.835 3.371 ( -16.304 0.000 -0.299) 16.307 3.775 ( -2.301 0.000 2.000) 3.049 3.902 ( -9.002 0.000 7.956) 12.014 4.084 ( 0.014 0.000 -2.171) 2.171 5.095 ( -16.756 0.000 -0.945) 16.782 6.013 ( -8.375 0.000 -12.170) 14.773 6.964 ( 0.317 0.000 1.066) 1.113 7.001 ( 3.050 0.000 -5.335) 6.146 7.607 ( 10.341 0.000 6.005) 11.958 10.183 ( 1.895 0.000 -1.133) 2.208 11.776 ( -2.894 0.000 0.410) 2.923 11.954 ( 4.272 0.000 0.816) 4.349 16.570 ( -12.651 0.000 -0.764) 12.674 17.467 ( -0.255 0.000 -4.471) 4.478 45.482 ( 0.273 0.000 0.374) 0.463 45.791 ( 3.413 0.000 -0.953) 3.543 97.623 ( -0.379 0.000 0.444) 0.584 97.694 ( 0.548 0.000 0.323) 0.636 99.906 ( 0.071 0.000 -0.016) 0.073 99.998 ( 0.093 0.000 -0.034) 0.099 ======================= Grid point 437 (205/315) ======================= q-point: (-0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -14.836 0.000 4.123) 15.398 1.927 ( -14.177 0.000 6.045) 15.412 2.290 ( -4.094 0.000 -3.572) 5.433 2.852 ( -29.072 0.000 -0.337) 29.074 3.475 ( 13.800 0.000 0.534) 13.810 3.734 ( -2.348 0.000 2.919) 3.746 3.739 ( -10.522 0.000 5.009) 11.654 4.075 ( -0.116 0.000 -3.028) 3.030 4.737 ( -17.966 0.000 1.450) 18.025 5.730 ( -16.564 0.000 -14.031) 21.708 6.991 ( -2.019 0.000 -7.079) 7.362 6.992 ( 1.767 0.000 3.247) 3.696 7.890 ( 15.931 0.000 4.842) 16.650 10.220 ( 2.067 0.000 -1.196) 2.388 11.724 ( -2.514 0.000 0.669) 2.601 12.037 ( 3.941 0.000 -0.280) 3.951 16.201 ( -23.856 0.000 -3.671) 24.136 17.453 ( 0.077 0.000 -4.576) 4.576 45.497 ( 0.857 0.000 1.248) 1.514 45.868 ( 4.551 0.000 -1.197) 4.706 97.618 ( -0.207 0.000 0.392) 0.444 97.706 ( 0.578 0.000 0.279) 0.642 99.908 ( 0.112 0.000 0.041) 0.119 100.000 ( 0.137 0.000 -0.029) 0.140 ======================= Grid point 438 (206/315) ======================= q-point: (-0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -14.787 0.000 9.330) 17.485 1.702 ( -12.506 0.000 12.693) 17.819 2.179 ( -5.231 0.000 -7.232) 8.925 2.279 ( -25.508 0.000 4.596) 25.919 3.372 ( -21.894 0.000 2.750) 22.066 3.704 ( -1.477 0.000 3.935) 4.203 3.785 ( 12.453 0.000 -6.683) 14.133 4.066 ( 0.086 0.000 -3.597) 3.598 4.443 ( -11.628 0.000 2.689) 11.934 5.273 ( -25.923 0.000 -11.215) 28.245 6.896 ( -5.151 0.000 -7.861) 9.398 7.046 ( 2.452 0.000 4.486) 5.112 8.235 ( 16.874 0.000 2.630) 17.078 10.253 ( 1.495 0.000 -1.263) 1.957 11.682 ( -1.934 0.000 1.110) 2.230 12.104 ( 2.993 0.000 -1.189) 3.220 15.630 ( -31.099 0.000 -4.073) 31.364 17.440 ( -0.324 0.000 -3.948) 3.961 45.520 ( 0.999 0.000 1.675) 1.950 45.959 ( 4.811 0.000 -1.294) 4.982 97.618 ( 0.137 0.000 0.228) 0.266 97.717 ( 0.388 0.000 0.279) 0.478 99.910 ( 0.115 0.000 0.088) 0.144 100.003 ( 0.143 0.000 -0.035) 0.147 ======================= Grid point 439 (207/315) ======================= q-point: (-0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -9.414 0.000 14.409) 17.211 1.405 ( -19.069 0.000 13.639) 23.445 2.045 ( -0.428 0.000 14.252) 14.258 2.060 ( -3.886 0.000 -10.187) 10.903 2.891 ( -24.021 0.000 -1.453) 24.065 3.698 ( -0.374 0.000 4.546) 4.562 3.943 ( 1.496 0.000 -9.728) 9.842 4.058 ( 0.151 0.000 -3.882) 3.885 4.311 ( 0.556 0.000 0.573) 0.799 4.691 ( -27.753 0.000 0.726) 27.762 6.760 ( -5.991 0.000 -6.997) 9.211 7.107 ( 2.326 0.000 4.523) 5.086 8.527 ( 10.769 0.000 -0.328) 10.774 10.270 ( 0.604 0.000 -1.250) 1.388 11.654 ( -1.275 0.000 1.592) 2.040 12.146 ( 1.561 0.000 -1.693) 2.303 15.056 ( -22.291 0.000 0.380) 22.294 17.417 ( -1.033 0.000 -2.891) 3.070 45.543 ( 0.856 0.000 1.669) 1.876 46.042 ( 3.615 0.000 -1.721) 4.003 97.622 ( 0.224 0.000 -0.045) 0.229 97.723 ( 0.081 0.000 0.343) 0.353 99.912 ( 0.078 0.000 0.111) 0.136 100.005 ( 0.108 0.000 -0.053) 0.121 ======================= Grid point 440 (208/315) ======================= q-point: ( 0.00 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -1.115 10.935 11.467) 15.884 1.456 ( 2.193 20.864 13.899) 25.165 2.098 ( 1.650 6.934 -0.823) 7.175 2.292 ( 3.654 12.707 9.648) 16.368 2.571 ( -5.368 3.429 -5.736) 8.572 3.608 ( -0.825 -6.327 1.104) 6.475 3.954 ( -5.042 10.559 0.367) 11.707 4.098 ( 1.478 7.875 -5.183) 9.542 4.382 ( -2.200 1.135 1.281) 2.787 4.750 ( 6.359 22.806 -1.944) 23.756 6.636 ( -3.211 0.059 -4.205) 5.291 7.265 ( 0.172 9.509 3.202) 10.035 8.590 ( -1.287 -0.903 0.939) 1.831 10.478 ( 0.096 19.340 -0.493) 19.347 11.804 ( -0.909 15.157 0.848) 15.208 12.317 ( 0.091 15.250 -1.499) 15.324 14.842 ( 4.558 -3.248 -0.011) 5.597 17.349 ( -1.191 -3.584 -1.566) 4.088 45.465 ( 0.547 -9.254 1.096) 9.334 45.922 ( 0.426 -14.978 -2.090) 15.129 97.633 ( -0.048 0.922 -0.015) 0.924 97.730 ( -0.254 0.784 0.486) 0.957 99.918 ( 0.018 0.424 0.059) 0.428 100.009 ( 0.036 0.223 -0.040) 0.230 ======================= Grid point 441 (209/315) ======================= q-point: ( 0.09 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 7.883 9.111 11.663) 16.769 1.695 ( 15.973 14.032 10.360) 23.651 2.116 ( -1.394 5.871 0.482) 6.053 2.212 ( -5.439 13.890 -2.308) 15.094 2.810 ( 22.893 1.518 2.495) 23.079 3.660 ( 4.337 -5.139 -3.377) 7.525 3.916 ( -0.167 13.161 3.295) 13.568 4.155 ( 5.780 8.167 -4.214) 10.856 4.394 ( 5.070 6.568 0.010) 8.297 4.971 ( 14.401 10.427 -4.173) 18.263 6.580 ( -1.761 -0.523 -0.941) 2.064 7.281 ( 0.452 8.192 2.892) 8.699 8.470 ( -10.234 2.333 2.073) 10.699 10.473 ( -0.521 19.935 -0.560) 19.950 11.795 ( -0.180 14.704 1.597) 14.792 12.310 ( -0.480 16.582 -1.191) 16.632 15.146 ( 24.319 -5.057 -5.923) 25.536 17.319 ( -1.541 -3.321 -0.437) 3.687 45.474 ( 0.156 -9.356 0.523) 9.372 45.892 ( -2.705 -14.690 -2.097) 15.083 97.631 ( -0.143 1.012 0.100) 1.027 97.724 ( -0.478 0.817 0.638) 1.141 99.918 ( -0.069 0.398 0.036) 0.406 100.009 ( -0.057 0.208 -0.062) 0.224 ======================= Grid point 442 (210/315) ======================= q-point: ( 0.18 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 10.949 7.223 6.896) 14.819 1.905 ( -5.878 2.009 13.810) 15.143 2.171 ( 16.463 7.699 -2.542) 18.351 2.275 ( 11.429 13.608 -4.726) 18.389 3.280 ( 19.478 -4.840 4.783) 20.632 3.695 ( 2.086 -3.953 -6.006) 7.486 3.934 ( 0.988 14.902 2.630) 15.165 4.212 ( 0.652 12.763 -2.903) 13.105 4.664 ( 20.731 1.383 -6.876) 21.885 5.249 ( 14.178 3.564 -3.356) 14.999 6.552 ( -1.643 -3.391 2.803) 4.696 7.299 ( 0.651 8.646 2.822) 9.119 8.233 ( -13.474 6.366 1.372) 14.965 10.455 ( -1.142 20.275 -0.516) 20.314 11.810 ( 1.236 15.260 1.871) 15.424 12.291 ( -1.190 19.053 -0.670) 19.102 15.676 ( 28.914 -6.051 -7.714) 30.531 17.288 ( -1.465 -3.320 0.637) 3.685 45.474 ( -0.223 -9.457 -0.236) 9.462 45.812 ( -4.530 -13.915 -1.662) 14.727 97.630 ( -0.023 1.082 0.195) 1.099 97.715 ( -0.564 0.863 0.709) 1.251 99.916 ( -0.120 0.355 0.001) 0.375 100.007 ( -0.132 0.171 -0.083) 0.231 ======================= Grid point 443 (211/315) ======================= q-point: ( 0.27 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 1.488 0.420 5.442) 5.658 1.900 ( 8.324 6.483 6.409) 12.345 2.367 ( 7.684 10.635 -2.187) 13.301 2.686 ( 23.015 1.662 1.807) 23.146 3.429 ( -4.158 -7.005 0.135) 8.147 3.824 ( 9.045 -2.070 -1.043) 9.337 3.985 ( 4.649 10.834 0.711) 11.811 4.204 ( -0.202 13.685 -2.126) 13.851 5.057 ( 19.887 -1.784 -12.904) 23.774 5.510 ( 12.864 -0.321 -1.412) 12.945 6.528 ( -1.817 -6.732 6.394) 9.461 7.324 ( 1.082 9.979 3.225) 10.543 7.961 ( -13.683 10.452 -0.704) 17.233 10.427 ( -1.408 20.486 -0.456) 20.539 11.855 ( 2.803 17.136 1.846) 17.461 12.258 ( -2.072 21.431 -0.231) 21.532 16.190 ( 23.419 -5.461 -5.116) 24.585 17.275 ( 0.209 -3.830 0.847) 3.928 45.463 ( -0.657 -9.503 -1.130) 9.592 45.716 ( -4.513 -13.053 -0.945) 13.843 97.631 ( 0.123 1.105 0.277) 1.145 97.706 ( -0.538 0.900 0.662) 1.240 99.913 ( -0.125 0.327 -0.036) 0.352 100.003 ( -0.169 0.114 -0.097) 0.226 ======================= Grid point 444 (212/315) ======================= q-point: ( 0.36 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 9.014 -1.909 6.226) 11.120 2.073 ( 7.388 5.857 1.933) 9.624 2.490 ( 4.765 9.401 -0.616) 10.557 3.088 ( 14.353 -3.542 1.402) 14.850 3.269 ( -8.532 -4.592 -0.040) 9.690 3.923 ( 2.154 8.966 2.251) 9.492 4.090 ( 3.437 -3.015 -2.254) 5.097 4.206 ( 1.028 11.661 -1.697) 11.828 5.334 ( 10.748 -4.168 -13.356) 17.643 5.758 ( 12.450 -4.195 -1.721) 13.250 6.537 ( 1.420 -8.401 8.024) 11.704 7.357 ( 1.141 10.444 4.064) 11.265 7.696 ( -12.271 14.899 -2.600) 19.476 10.400 ( -1.098 20.797 -0.430) 20.830 11.929 ( 4.056 19.764 1.654) 20.243 12.207 ( -3.061 22.653 0.051) 22.859 16.542 ( 12.515 -4.124 -1.431) 13.254 17.311 ( 3.346 -4.823 -0.525) 5.894 45.441 ( -1.152 -9.435 -1.821) 9.678 45.639 ( -2.859 -12.394 -0.229) 12.721 97.635 ( 0.182 1.104 0.382) 1.182 97.698 ( -0.423 0.925 0.540) 1.152 99.911 ( -0.096 0.328 -0.060) 0.347 100.000 ( -0.152 0.045 -0.099) 0.187 ======================= Grid point 445 (213/315) ======================= q-point: ( 0.45 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 5.284 -1.431 4.767) 7.259 2.200 ( 8.767 2.384 -1.773) 9.257 2.568 ( 4.489 8.027 2.062) 9.425 2.966 ( -14.469 -2.981 -1.190) 14.821 3.396 ( 9.003 -4.787 2.565) 10.514 3.949 ( -0.055 12.535 1.625) 12.640 4.098 ( -1.774 -7.259 0.056) 7.473 4.212 ( -0.413 9.935 -1.432) 10.046 5.401 ( -0.511 -6.014 -8.533) 10.452 5.967 ( 8.599 -7.123 -5.530) 12.460 6.638 ( 6.484 -8.829 5.476) 12.247 7.386 ( 0.245 4.322 5.270) 6.820 7.480 ( -7.703 24.546 -3.304) 25.938 10.384 ( -0.306 21.072 -0.450) 21.079 12.020 ( 4.538 22.129 1.235) 22.623 12.138 ( -3.864 22.255 0.266) 22.589 16.688 ( 2.918 -3.594 0.953) 4.727 17.384 ( 3.639 -5.356 -2.430) 6.917 45.412 ( -1.193 -9.277 -1.657) 9.500 45.605 ( -0.540 -12.079 -0.134) 12.091 97.639 ( 0.074 1.098 0.456) 1.191 97.693 ( -0.175 0.940 0.429) 1.048 99.909 ( -0.046 0.351 -0.062) 0.360 99.997 ( -0.079 -0.016 -0.084) 0.116 ======================= Grid point 446 (214/315) ======================= q-point: (-0.45 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -6.750 -1.367 -0.420) 6.900 2.330 ( 2.683 1.672 -2.336) 3.930 2.657 ( -12.579 6.090 -1.098) 14.019 2.777 ( 12.210 -1.559 6.886) 14.105 3.487 ( -1.064 -5.088 -0.308) 5.207 3.935 ( -1.745 8.004 1.953) 8.422 4.005 ( -7.650 -3.312 3.869) 9.190 4.207 ( 0.589 11.483 -1.098) 11.550 5.289 ( -8.654 -5.903 -4.054) 11.233 6.044 ( 0.995 -7.181 -8.926) 11.499 6.772 ( 4.634 -9.748 -0.548) 10.807 7.392 ( 2.126 -3.083 4.055) 5.520 7.419 ( -0.075 33.102 0.764) 33.111 10.386 ( 0.618 20.961 -0.515) 20.976 12.051 ( -4.048 20.460 0.041) 20.857 12.117 ( 4.049 23.273 1.029) 23.646 16.679 ( -4.143 -4.266 1.134) 6.054 17.421 ( 0.910 -5.301 -3.745) 6.554 45.390 ( -0.532 -9.126 -0.778) 9.175 45.614 ( 1.541 -12.115 -0.560) 12.226 97.639 ( -0.212 1.098 0.457) 1.208 97.695 ( 0.232 0.945 0.369) 1.041 99.909 ( 0.011 0.372 -0.043) 0.375 99.997 ( 0.026 -0.038 -0.056) 0.073 ======================= Grid point 447 (215/315) ======================= q-point: (-0.36 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -12.603 -4.553 1.007) 13.438 2.253 ( -10.951 4.540 -0.713) 11.877 2.466 ( -4.312 7.974 0.917) 9.111 3.080 ( 13.511 -3.461 0.952) 13.979 3.324 ( -14.070 -2.825 -0.818) 14.374 3.810 ( -9.882 -7.216 7.612) 14.410 3.957 ( 0.672 14.653 1.750) 14.773 4.218 ( 0.688 12.289 -1.622) 12.414 5.046 ( -14.825 -3.831 -0.876) 15.337 5.958 ( -6.682 -4.857 -11.720) 14.339 6.804 ( 0.301 -8.794 -4.308) 9.797 7.408 ( -1.497 21.347 1.829) 21.477 7.564 ( 12.686 5.485 4.652) 14.583 10.405 ( 1.316 20.369 -0.586) 20.420 11.968 ( -4.116 17.963 0.253) 18.430 12.196 ( 3.586 22.854 0.280) 23.135 16.512 ( -13.375 -5.499 -0.526) 14.471 17.413 ( -0.165 -5.130 -4.379) 6.746 45.388 ( 0.302 -9.059 0.245) 9.067 45.660 ( 3.178 -12.446 -1.011) 12.885 97.634 ( -0.373 1.108 0.432) 1.247 97.704 ( 0.531 0.927 0.319) 1.115 99.910 ( 0.068 0.375 -0.007) 0.381 99.998 ( 0.124 -0.005 -0.025) 0.127 ======================= Grid point 448 (216/315) ======================= q-point: (-0.27 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -12.645 -3.115 5.709) 14.219 1.998 ( -13.444 6.637 5.636) 16.017 2.401 ( -3.282 9.900 -3.261) 10.927 2.861 ( -25.161 1.647 -1.685) 25.271 3.385 ( 11.141 -5.604 0.641) 12.487 3.620 ( -12.243 -6.634 5.865) 15.109 3.981 ( 1.089 15.842 1.133) 15.920 4.224 ( 0.520 12.926 -2.446) 13.165 4.729 ( -15.876 -0.209 1.710) 15.969 5.717 ( -14.256 -1.103 -13.288) 19.520 6.794 ( 0.204 -7.811 -4.828) 9.185 7.366 ( -3.005 20.163 1.035) 20.412 7.873 ( 16.332 2.612 4.737) 17.205 10.432 ( 1.512 19.593 -0.613) 19.661 11.895 ( -3.172 15.978 0.383) 16.294 12.258 ( 2.595 20.932 -0.412) 21.097 16.133 ( -24.193 -6.444 -3.032) 25.219 17.401 ( 0.188 -4.900 -4.205) 6.460 45.402 ( 0.863 -9.075 1.051) 9.177 45.731 ( 4.203 -13.010 -1.253) 13.730 97.629 ( -0.227 1.101 0.389) 1.190 97.716 ( 0.554 0.887 0.272) 1.080 99.912 ( 0.115 0.371 0.036) 0.390 100.001 ( 0.180 0.070 -0.005) 0.193 ======================= Grid point 449 (217/315) ======================= q-point: (-0.18 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -10.627 3.134 11.064) 15.657 1.788 ( -10.109 7.679 11.937) 17.425 2.288 ( -11.431 8.506 -3.162) 14.595 2.373 ( -16.363 10.919 -1.480) 19.727 3.313 ( -20.055 -4.677 2.879) 20.794 3.558 ( 6.028 -6.854 -0.549) 9.145 4.010 ( 2.129 14.924 -2.158) 15.229 4.213 ( -1.663 8.494 -2.792) 9.095 4.487 ( -7.884 6.359 2.077) 10.340 5.322 ( -21.721 4.989 -10.931) 24.822 6.778 ( -0.849 -5.907 -5.614) 8.193 7.304 ( -3.161 17.487 1.624) 17.844 8.213 ( 16.164 0.171 3.381) 16.514 10.457 ( 1.144 19.024 -0.562) 19.067 11.846 ( -1.840 15.194 0.416) 15.311 12.297 ( 1.538 18.283 -1.031) 18.376 15.567 ( -30.372 -5.890 -3.200) 31.102 17.393 ( -0.123 -4.537 -3.532) 5.751 45.424 ( 1.007 -9.124 1.447) 9.293 45.815 ( 4.374 -13.757 -1.338) 14.497 97.628 ( 0.072 1.033 0.260) 1.068 97.726 ( 0.360 0.839 0.273) 0.953 99.914 ( 0.133 0.383 0.068) 0.411 100.005 ( 0.178 0.151 -0.004) 0.234 ======================= Grid point 450 (218/315) ======================= q-point: (-0.09 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -5.512 10.030 13.505) 17.702 1.589 ( -14.315 15.853 13.079) 25.046 2.061 ( -2.900 4.043 8.990) 10.275 2.247 ( -1.580 15.431 -6.836) 16.951 2.886 ( -21.236 0.173 -0.524) 21.243 3.625 ( 0.736 -6.391 0.850) 6.489 4.047 ( 1.374 13.303 -5.713) 14.543 4.125 ( -5.456 0.510 -2.230) 5.916 4.420 ( -0.796 7.728 -1.453) 7.903 4.866 ( -18.402 17.853 -1.987) 25.716 6.720 ( -3.227 -2.312 -6.080) 7.261 7.265 ( -1.253 13.048 2.953) 13.436 8.495 ( 10.326 -1.582 1.183) 10.514 10.473 ( 0.565 18.912 -0.462) 18.926 11.821 ( -0.984 15.337 0.360) 15.373 12.314 ( 0.644 15.959 -1.423) 16.035 15.016 ( -21.202 -3.756 0.478) 21.537 17.375 ( -0.788 -4.034 -2.592) 4.860 45.447 ( 0.859 -9.176 1.434) 9.327 45.889 ( 3.209 -14.550 -1.638) 14.990 97.632 ( 0.166 0.931 0.050) 0.947 97.731 ( 0.059 0.796 0.346) 0.870 99.917 ( 0.101 0.411 0.073) 0.429 100.008 ( 0.123 0.206 -0.019) 0.241 ======================= Grid point 451 (219/315) ======================= q-point: ( 0.00 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -0.771 16.437 8.023) 18.307 1.863 ( -0.009 13.687 16.282) 21.270 2.300 ( 3.073 16.775 1.338) 17.107 2.634 ( 6.017 11.400 -2.187) 13.074 2.723 ( -7.949 17.272 -1.765) 19.095 3.502 ( 1.373 -3.935 -1.993) 4.620 3.971 ( -2.360 -3.156 0.524) 3.975 4.314 ( 3.756 -0.523 -0.548) 3.832 4.582 ( -2.111 25.036 -5.494) 25.719 5.259 ( 0.367 22.680 -3.540) 22.958 6.686 ( -2.283 5.693 -3.251) 6.942 7.478 ( -2.350 8.769 3.935) 9.895 8.662 ( 1.037 10.362 1.162) 10.478 11.012 ( 0.534 30.659 1.090) 30.683 12.219 ( -0.980 24.096 -0.707) 24.127 12.756 ( 0.633 26.275 -1.057) 26.304 14.753 ( 3.201 -4.956 -0.160) 5.902 17.239 ( -0.722 -7.104 -1.136) 7.230 45.190 ( 0.488 -17.038 0.516) 17.052 45.491 ( 0.281 -25.853 -1.809) 25.918 97.662 ( -0.012 1.879 0.132) 1.884 97.754 ( -0.233 1.490 0.446) 1.573 99.930 ( 0.020 0.626 0.009) 0.626 100.015 ( 0.023 0.304 0.063) 0.311 ======================= Grid point 452 (220/315) ======================= q-point: ( 0.09 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 4.728 14.465 8.809) 17.584 1.958 ( 3.263 8.230 14.116) 16.662 2.326 ( 0.129 17.415 -1.132) 17.453 2.597 ( -2.051 19.921 -6.601) 21.086 2.870 ( 15.600 4.767 2.857) 16.561 3.577 ( 5.019 -2.954 -5.528) 8.030 4.024 ( 7.660 -1.378 2.896) 8.304 4.423 ( 6.012 4.349 -2.976) 7.995 4.564 ( 2.608 20.551 -3.092) 20.945 5.290 ( 3.639 17.486 -3.286) 18.161 6.613 ( -4.423 4.612 -0.832) 6.444 7.448 ( -2.332 5.889 5.845) 8.619 8.634 ( -3.386 15.520 -0.244) 15.887 11.019 ( -0.163 31.186 0.369) 31.189 12.207 ( 0.252 24.351 0.582) 24.359 12.789 ( 2.668 28.843 -1.372) 28.999 15.010 ( 21.550 -7.598 -4.063) 23.209 17.217 ( -1.261 -6.571 -0.421) 6.704 45.196 ( 0.072 -17.206 0.076) 17.206 45.469 ( -1.954 -25.462 -1.836) 25.602 97.662 ( -0.054 1.947 0.155) 1.954 97.748 ( -0.419 1.525 0.577) 1.684 99.929 ( -0.103 0.610 0.001) 0.619 100.014 ( -0.106 0.285 0.033) 0.306 ======================= Grid point 453 (221/315) ======================= q-point: ( 0.18 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 6.690 8.966 4.243) 11.964 1.978 ( -3.402 5.876 13.413) 15.034 2.421 ( 10.430 15.955 -1.085) 19.093 2.620 ( 5.522 18.328 -5.255) 19.850 3.175 ( 11.668 -5.009 3.049) 13.058 3.628 ( 3.017 -2.721 -5.845) 7.118 4.218 ( 8.107 6.796 2.588) 10.891 4.471 ( 1.190 14.627 -5.331) 15.614 4.732 ( 14.125 5.246 -3.692) 15.513 5.383 ( 6.364 9.301 -2.505) 11.545 6.511 ( -5.818 0.402 1.946) 6.148 7.408 ( -3.633 0.468 7.606) 8.442 8.553 ( -3.923 25.538 -2.177) 25.929 11.007 ( -1.058 31.418 0.021) 31.436 12.245 ( 3.418 26.028 0.943) 26.268 12.839 ( 2.457 32.926 -1.394) 33.047 15.509 ( 28.242 -9.604 -5.952) 30.419 17.188 ( -1.618 -6.381 0.296) 6.590 45.194 ( -0.290 -17.341 -0.497) 17.351 45.410 ( -3.338 -24.304 -1.577) 24.583 97.662 ( 0.021 2.004 0.199) 2.014 97.741 ( -0.503 1.576 0.646) 1.776 99.926 ( -0.161 0.577 -0.001) 0.599 100.011 ( -0.207 0.228 -0.019) 0.308 ======================= Grid point 454 (222/315) ======================= q-point: ( 0.27 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.505 3.739 2.268) 4.402 2.070 ( 6.814 9.410 8.966) 14.675 2.614 ( 7.029 12.396 -2.174) 14.415 2.797 ( 12.764 9.431 0.052) 15.870 3.272 ( -1.895 -7.725 0.617) 7.978 3.723 ( 7.337 -5.920 -2.539) 9.763 4.316 ( 1.532 17.386 2.604) 17.646 4.480 ( 1.143 11.753 -3.627) 12.353 5.030 ( 16.010 -0.301 -9.736) 18.740 5.513 ( 6.801 1.203 -1.087) 6.991 6.407 ( -5.073 -4.325 4.801) 8.215 7.344 ( -4.865 -6.151 7.801) 11.061 8.478 ( -2.824 36.718 -3.050) 36.953 10.982 ( -1.384 31.364 0.072) 31.395 12.346 ( 6.411 29.446 0.538) 30.140 12.867 ( 0.529 36.284 -1.350) 36.313 16.035 ( 24.863 -9.193 -4.982) 26.973 17.162 ( -0.817 -6.949 0.514) 7.016 45.182 ( -0.616 -17.362 -1.187) 17.413 45.337 ( -3.378 -22.931 -1.042) 23.202 97.664 ( 0.127 2.015 0.268) 2.037 97.733 ( -0.494 1.621 0.621) 1.805 99.923 ( -0.145 0.552 0.003) 0.571 100.006 ( -0.261 0.140 -0.080) 0.306 ======================= Grid point 455 (223/315) ======================= q-point: ( 0.36 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 7.550 2.936 2.638) 8.520 2.223 ( 6.406 7.988 5.002) 11.395 2.682 ( 0.328 7.863 -1.668) 8.045 3.025 ( 5.559 -2.023 -0.458) 5.934 3.200 ( -0.996 -0.590 1.754) 2.101 3.850 ( 4.976 -9.807 -0.283) 11.001 4.316 ( -1.512 19.314 1.222) 19.412 4.496 ( 1.028 13.644 -1.041) 13.722 5.256 ( 8.638 -2.465 -12.316) 15.244 5.642 ( 6.771 -6.609 -1.061) 9.521 6.362 ( -0.407 -8.019 6.320) 10.219 7.264 ( -4.907 -10.818 6.477) 13.530 8.423 ( -1.999 45.510 -2.296) 45.612 10.957 ( -1.095 31.158 0.263) 31.178 12.492 ( 7.896 33.546 -0.095) 34.463 12.846 ( -2.411 37.823 -1.138) 37.917 16.422 ( 14.367 -7.212 -2.484) 16.267 17.171 ( 1.985 -8.465 -0.693) 8.722 45.163 ( -0.962 -17.187 -1.758) 17.303 45.279 ( -2.119 -21.849 -0.449) 21.956 97.668 ( 0.174 2.001 0.357) 2.040 97.725 ( -0.396 1.654 0.530) 1.782 99.920 ( -0.084 0.559 0.014) 0.565 100.001 ( -0.243 0.036 -0.124) 0.275 ======================= Grid point 456 (224/315) ======================= q-point: ( 0.45 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 7.865 2.105 2.615) 8.551 2.340 ( 4.528 7.445 0.526) 8.730 2.634 ( -3.317 -1.858 2.125) 4.356 2.949 ( -6.940 1.540 -2.311) 7.475 3.317 ( 6.449 -1.124 2.949) 7.180 3.894 ( -1.234 -10.290 1.479) 10.469 4.289 ( -0.891 19.192 0.936) 19.235 4.510 ( 0.523 16.501 -0.161) 16.510 5.291 ( -1.675 -4.017 -8.199) 9.283 5.775 ( 6.869 -11.086 -5.500) 14.154 6.423 ( 4.413 -11.021 4.730) 12.779 7.197 ( -2.985 -12.012 5.114) 13.392 8.384 ( -1.572 50.268 -0.721) 50.298 10.941 ( -0.507 30.846 0.419) 30.853 12.645 ( 7.195 36.922 -0.702) 37.623 12.766 ( -5.238 37.191 -0.638) 37.564 16.584 ( 2.759 -6.224 0.302) 6.815 17.228 ( 3.544 -9.478 -3.063) 10.573 45.138 ( -0.947 -16.895 -1.614) 16.998 45.253 ( -0.310 -21.311 -0.401) 21.317 97.672 ( 0.071 1.984 0.416) 2.028 97.721 ( -0.159 1.677 0.436) 1.741 99.919 ( -0.022 0.594 0.024) 0.595 99.997 ( -0.136 -0.055 -0.125) 0.193 ======================= Grid point 457 (225/315) ======================= q-point: (-0.45 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -10.674 -0.236 0.437) 10.686 2.461 ( 5.709 8.672 -2.484) 10.675 2.624 ( -1.162 -4.353 6.407) 7.832 2.853 ( 1.073 3.854 -0.734) 4.068 3.387 ( -0.437 -2.966 0.534) 3.045 3.810 ( -7.444 -7.636 4.322) 11.507 4.291 ( 0.592 18.473 0.846) 18.502 4.526 ( 1.344 18.505 -0.253) 18.556 5.174 ( -7.962 -4.966 -3.756) 10.107 5.857 ( 2.980 -10.390 -9.173) 14.177 6.528 ( 4.531 -12.855 0.332) 13.634 7.198 ( 2.155 -11.351 5.172) 12.658 8.356 ( -1.275 51.010 0.716) 51.031 10.939 ( 0.105 30.520 0.520) 30.525 12.631 ( -7.326 34.400 -0.125) 35.171 12.773 ( 5.067 38.753 -1.000) 39.096 16.555 ( -5.748 -7.509 1.194) 9.531 17.268 ( 1.292 -9.242 -4.383) 10.310 45.121 ( -0.349 -16.634 -0.905) 16.662 45.262 ( 1.288 -21.373 -0.786) 21.426 97.672 ( -0.194 1.986 0.417) 2.038 97.722 ( 0.224 1.683 0.372) 1.738 99.920 ( 0.020 0.628 0.022) 0.628 99.995 ( 0.036 -0.089 -0.074) 0.122 ======================= Grid point 458 (226/315) ======================= q-point: (-0.36 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -12.680 -1.539 2.144) 12.952 2.392 ( -10.995 7.524 3.246) 13.713 2.639 ( 2.094 8.528 0.073) 8.781 2.993 ( 8.605 -4.616 -0.740) 9.793 3.300 ( -7.212 0.488 -1.418) 7.366 3.653 ( -9.232 -6.166 7.041) 13.146 4.311 ( 1.090 18.194 0.952) 18.251 4.549 ( 0.420 18.232 -1.855) 18.330 4.971 ( -11.219 -2.797 0.035) 11.563 5.835 ( -2.488 -6.493 -11.071) 13.074 6.593 ( 2.891 -11.136 -3.720) 12.091 7.311 ( 7.152 -10.964 5.405) 14.162 8.338 ( -0.697 48.051 1.594) 48.083 10.948 ( 0.574 30.266 0.642) 30.279 12.479 ( -7.637 30.473 0.419) 31.419 12.844 ( 2.293 38.370 -1.207) 38.458 16.353 ( -15.194 -9.619 0.039) 17.983 17.265 ( 0.084 -8.856 -4.230) 9.814 45.120 ( 0.371 -16.532 -0.115) 16.537 45.298 ( 2.538 -21.949 -1.177) 22.126 97.667 ( -0.346 2.018 0.398) 2.086 97.731 ( 0.489 1.651 0.309) 1.749 99.920 ( 0.057 0.633 0.020) 0.636 99.998 ( 0.201 -0.040 -0.000) 0.204 ======================= Grid point 459 (227/315) ======================= q-point: (-0.27 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -7.672 1.936 6.682) 10.357 2.156 ( -13.014 7.867 8.011) 17.188 2.652 ( -1.009 13.181 -3.073) 13.572 2.942 ( -13.196 6.041 -4.656) 15.241 3.280 ( 5.395 -5.023 0.062) 7.372 3.489 ( -9.055 -4.389 6.366) 11.907 4.330 ( 0.207 16.734 1.223) 16.780 4.478 ( -7.810 7.443 -3.326) 11.289 4.796 ( -5.034 9.531 1.835) 10.933 5.700 ( -7.840 -0.073 -11.678) 14.065 6.640 ( 3.217 -7.134 -5.139) 9.362 7.469 ( 6.250 -7.334 4.122) 10.481 8.348 ( 1.658 39.738 2.318) 39.840 10.963 ( 0.769 30.087 0.873) 30.110 12.345 ( -5.659 26.657 0.507) 27.255 12.858 ( -0.418 35.944 -1.197) 35.966 15.950 ( -24.715 -10.815 -1.656) 27.029 17.259 ( 0.363 -8.644 -3.359) 9.281 45.133 ( 0.861 -16.592 0.505) 16.622 45.353 ( 3.276 -22.912 -1.408) 23.188 97.662 ( -0.251 2.038 0.369) 2.087 97.742 ( 0.496 1.590 0.253) 1.684 99.922 ( 0.109 0.620 0.029) 0.630 100.003 ( 0.284 0.071 0.058) 0.299 ======================= Grid point 460 (228/315) ======================= q-point: (-0.18 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -1.495 9.108 10.943) 14.316 1.956 ( -9.209 7.849 12.781) 17.600 2.517 ( -13.089 13.787 -2.636) 19.192 2.703 ( -5.395 18.912 -6.021) 20.567 3.213 ( -13.199 -4.558 2.487) 14.183 3.452 ( 3.969 -3.439 -0.047) 5.252 4.266 ( -9.695 -0.524 -0.779) 9.740 4.330 ( -1.953 12.871 0.693) 13.037 4.744 ( -2.059 16.350 -2.550) 16.675 5.484 ( -9.900 10.176 -9.666) 17.176 6.690 ( 2.967 -2.354 -5.279) 6.497 7.547 ( 0.479 2.070 2.584) 3.345 8.434 ( 6.189 24.918 2.872) 25.835 10.981 ( 0.673 30.014 1.235) 30.047 12.264 ( -2.499 24.304 -0.111) 24.432 12.827 ( -2.250 32.006 -1.075) 32.103 15.403 ( -28.252 -9.449 -1.549) 29.831 17.258 ( 0.254 -8.342 -2.515) 8.717 45.154 ( 0.999 -16.727 0.809) 16.776 45.416 ( 3.289 -24.114 -1.489) 24.382 97.660 ( -0.039 1.991 0.298) 2.013 97.751 ( 0.309 1.529 0.248) 1.580 99.925 ( 0.152 0.613 0.039) 0.633 100.008 ( 0.263 0.191 0.082) 0.335 ======================= Grid point 461 (229/315) ======================= q-point: (-0.09 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.727 15.773 10.147) 18.769 1.874 ( -4.103 8.923 16.530) 19.228 2.288 ( -5.882 18.689 1.493) 19.650 2.624 ( -1.743 18.544 -7.169) 19.958 2.932 ( -13.481 5.560 1.145) 14.627 3.505 ( 0.872 -4.870 -1.378) 5.136 4.084 ( -7.970 -3.108 -1.395) 8.668 4.295 ( -1.435 5.377 1.155) 5.684 4.666 ( -4.180 19.502 -6.171) 20.878 5.309 ( -4.770 21.104 -5.300) 22.276 6.715 ( 0.662 2.608 -4.820) 5.520 7.522 ( -2.778 8.537 2.660) 9.363 8.579 ( 6.465 13.063 2.216) 14.743 10.997 ( 0.589 30.185 1.475) 30.227 12.236 ( -0.580 23.840 -1.078) 23.871 12.776 ( -2.148 27.824 -0.884) 27.921 14.912 ( -18.482 -5.981 0.502) 19.432 17.253 ( -0.243 -7.770 -1.798) 7.979 45.175 ( 0.840 -16.875 0.787) 16.914 45.469 ( 2.298 -25.271 -1.610) 25.426 97.661 ( 0.062 1.899 0.188) 1.909 97.755 ( 0.033 1.492 0.317) 1.525 99.928 ( 0.129 0.621 0.029) 0.635 100.013 ( 0.160 0.274 0.079) 0.327 ======================= Grid point 462 (230/315) ======================= q-point: ( 0.00 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -1.520 15.895 6.272) 17.155 2.035 ( 0.547 7.264 13.565) 15.397 2.732 ( 1.136 19.415 -5.306) 20.159 2.809 ( 3.546 9.967 -1.536) 10.690 3.151 ( -5.377 19.093 2.126) 19.950 3.452 ( 4.123 0.140 -4.382) 6.018 3.891 ( -2.228 -4.137 0.169) 4.702 4.256 ( 2.031 -3.980 0.589) 4.507 5.126 ( -0.522 25.389 -5.802) 26.048 5.619 ( -1.045 12.412 -4.442) 13.225 6.876 ( -1.552 11.931 0.022) 12.032 7.568 ( -2.851 0.301 4.873) 5.654 9.069 ( 1.729 28.364 -0.145) 28.417 11.656 ( 0.722 29.424 3.195) 29.605 12.762 ( -0.305 27.821 -1.534) 27.865 13.351 ( 1.362 30.139 -0.693) 30.178 14.664 ( 1.921 -2.676 -0.333) 3.311 17.057 ( -0.102 -10.605 -0.524) 10.618 44.782 ( 0.376 -21.966 -0.233) 21.971 44.901 ( 0.193 -30.174 -1.865) 30.233 97.709 ( -0.005 2.565 0.198) 2.573 97.789 ( -0.197 1.862 0.360) 1.906 99.943 ( 0.016 0.689 0.015) 0.689 100.020 ( 0.011 0.190 0.189) 0.269 ======================= Grid point 463 (231/315) ======================= q-point: ( 0.09 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -0.211 11.425 8.263) 14.102 2.100 ( 2.296 9.627 9.651) 13.824 2.738 ( 0.948 18.439 -2.757) 18.668 2.911 ( 5.687 10.507 -5.318) 13.077 3.063 ( -2.146 13.277 2.382) 13.659 3.545 ( 4.524 0.491 -5.581) 7.201 3.962 ( 9.574 -3.661 1.548) 10.367 4.386 ( 10.383 -4.334 -0.207) 11.253 5.079 ( -2.718 24.949 -4.626) 25.519 5.591 ( -0.597 11.043 -3.010) 11.462 6.780 ( -7.954 10.930 1.358) 13.586 7.489 ( -6.645 -1.300 6.404) 9.319 9.129 ( 4.427 31.427 -1.447) 31.771 11.673 ( 0.121 30.022 1.945) 30.086 12.764 ( 1.593 28.859 -0.449) 28.906 13.448 ( 7.489 33.715 -1.912) 34.590 14.860 ( 17.558 -6.124 -2.616) 18.778 17.049 ( -0.631 -9.809 -0.381) 9.837 44.785 ( -0.032 -22.202 -0.450) 22.206 44.887 ( -1.032 -29.722 -1.873) 29.799 97.709 ( -0.013 2.572 0.191) 2.579 97.785 ( -0.360 1.896 0.477) 1.988 99.942 ( -0.121 0.685 0.008) 0.695 100.019 ( -0.163 0.173 0.144) 0.278 ======================= Grid point 464 (232/315) ======================= q-point: ( 0.18 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -1.086 6.390 4.310) 7.784 2.179 ( 3.228 12.818 10.032) 16.594 2.785 ( 4.697 18.105 0.058) 18.705 2.978 ( 3.139 15.154 -6.199) 16.671 3.084 ( 2.185 -3.400 1.849) 4.444 3.585 ( 1.655 -1.093 -3.794) 4.281 4.222 ( 14.260 -3.302 -0.851) 14.662 4.634 ( 13.586 -1.161 -1.508) 13.719 5.005 ( -3.068 20.648 -2.793) 21.060 5.581 ( 0.256 8.554 -1.852) 8.755 6.588 ( -11.314 6.902 2.420) 13.472 7.345 ( -9.427 -5.416 7.224) 13.053 9.228 ( 5.719 38.001 -2.012) 38.482 11.667 ( -1.113 30.549 1.068) 30.588 12.844 ( 6.734 31.199 -0.298) 31.919 13.594 ( 7.010 38.909 -2.478) 39.614 15.303 ( 26.585 -9.853 -4.662) 28.733 17.028 ( -1.376 -9.055 -0.158) 9.160 44.779 ( -0.339 -22.360 -0.712) 22.374 44.853 ( -1.820 -28.463 -1.756) 28.575 97.710 ( 0.031 2.572 0.213) 2.581 97.778 ( -0.443 1.938 0.553) 2.064 99.939 ( -0.189 0.673 0.021) 0.699 100.015 ( -0.296 0.117 0.060) 0.324 ======================= Grid point 465 (233/315) ======================= q-point: ( 0.27 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 1.252 6.933 0.564) 7.067 2.278 ( 3.756 10.659 10.019) 15.103 2.878 ( 1.724 12.689 -1.405) 12.883 3.000 ( 0.808 5.959 -1.024) 6.100 3.152 ( 5.228 -0.363 -0.233) 5.246 3.609 ( 1.676 -4.652 -0.984) 5.041 4.477 ( 11.397 -0.754 -0.459) 11.431 4.804 ( 0.872 16.808 -3.825) 17.259 5.031 ( 9.341 1.017 -2.551) 9.736 5.579 ( -0.712 4.839 -1.125) 5.019 6.371 ( -10.461 1.256 3.296) 11.040 7.172 ( -9.477 -9.410 6.805) 14.989 9.332 ( 4.960 44.078 -1.421) 44.379 11.639 ( -1.819 30.486 0.772) 30.550 13.022 ( 10.972 34.970 -1.050) 36.666 13.692 ( 3.253 42.238 -2.591) 42.442 15.828 ( 26.186 -10.462 -5.323) 28.697 16.996 ( -1.627 -8.931 -0.009) 9.079 44.768 ( -0.475 -22.340 -1.049) 22.370 44.810 ( -1.909 -26.936 -1.464) 27.043 97.712 ( 0.105 2.545 0.267) 2.561 97.770 ( -0.447 1.977 0.559) 2.102 99.935 ( -0.162 0.659 0.057) 0.681 100.008 ( -0.367 0.036 -0.049) 0.371 ======================= Grid point 466 (234/315) ======================= q-point: ( 0.36 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 7.087 6.919 -0.658) 9.926 2.384 ( 4.385 7.551 8.983) 12.527 2.771 ( -9.989 0.284 -1.285) 10.075 3.036 ( 0.928 4.261 -2.565) 5.060 3.274 ( 6.097 6.820 1.741) 9.313 3.654 ( 2.740 -8.437 1.822) 9.056 4.672 ( 8.154 3.761 1.036) 9.040 4.749 ( -3.330 20.349 -1.176) 20.654 5.239 ( 10.167 -1.438 -8.268) 13.183 5.527 ( -4.073 -2.245 -0.197) 4.654 6.229 ( -4.199 -4.385 3.569) 7.042 7.022 ( -7.023 -12.025 5.689) 15.043 9.409 ( 2.908 48.415 -0.256) 48.503 11.604 ( -1.759 29.896 0.748) 29.957 13.254 ( 12.237 38.967 -1.911) 40.888 13.700 ( -1.890 43.433 -2.270) 43.534 16.256 ( 16.909 -8.651 -4.161) 19.444 16.976 ( 0.188 -10.065 -0.919) 10.108 44.755 ( -0.582 -21.780 -1.603) 21.847 44.774 ( -1.195 -26.007 -0.866) 26.049 97.715 ( 0.146 2.503 0.332) 2.530 97.764 ( -0.363 2.009 0.508) 2.104 99.933 ( -0.077 0.658 0.104) 0.671 100.001 ( -0.342 -0.052 -0.141) 0.374 ======================= Grid point 467 (235/315) ======================= q-point: ( 0.45 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 9.459 6.650 0.212) 11.565 2.459 ( -3.801 3.219 2.362) 5.513 2.578 ( -2.763 -1.357 4.735) 5.648 2.986 ( -4.748 2.328 -3.677) 6.441 3.378 ( 3.075 5.961 3.239) 7.449 3.710 ( 1.459 -7.087 2.640) 7.702 4.685 ( -2.042 16.802 -1.376) 16.981 4.818 ( 5.594 12.394 3.530) 14.049 5.273 ( -5.654 3.689 -6.809) 9.588 5.521 ( 5.800 -13.199 -4.727) 15.173 6.219 ( 1.668 -8.176 2.514) 8.715 6.935 ( -2.845 -12.980 4.696) 14.093 9.443 ( 0.394 50.919 0.870) 50.928 11.577 ( -1.130 29.161 0.886) 29.196 13.473 ( 9.540 41.790 -2.368) 42.930 13.608 ( -6.338 42.961 -1.541) 43.453 16.442 ( 2.564 -7.304 -0.678) 7.771 17.009 ( 3.428 -11.304 -3.907) 12.442 44.737 ( -0.622 -21.411 -1.552) 21.476 44.762 ( 0.037 -25.381 -0.808) 25.393 97.718 ( 0.061 2.471 0.371) 2.499 97.760 ( -0.140 2.034 0.437) 2.086 99.933 ( 0.004 0.680 0.129) 0.692 99.995 ( -0.200 -0.125 -0.163) 0.287 ======================= Grid point 468 (236/315) ======================= q-point: (-0.45 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -13.869 3.744 1.235) 14.419 2.544 ( 10.947 -0.527 0.648) 10.978 2.654 ( 2.580 6.463 6.648) 9.624 2.869 ( -3.960 -0.595 -2.373) 4.655 3.398 ( -1.913 3.285 2.320) 4.454 3.703 ( -2.961 -2.301 2.291) 4.395 4.659 ( -0.534 15.581 0.013) 15.590 4.924 ( 4.165 18.559 1.686) 19.095 5.090 ( -10.013 -2.536 -2.674) 10.669 5.637 ( 6.663 -10.201 -9.344) 15.355 6.282 ( 3.849 -10.288 0.230) 10.986 6.945 ( 2.789 -12.752 4.454) 13.792 9.429 ( -2.156 51.509 1.612) 51.579 11.566 ( -0.231 28.730 1.246) 28.758 13.409 ( -10.923 39.599 -0.019) 41.077 13.645 ( 6.050 44.220 -2.887) 44.725 16.382 ( -8.145 -9.002 1.257) 12.204 17.057 ( 2.034 -10.837 -5.323) 12.243 44.726 ( -0.099 -21.074 -1.066) 21.101 44.769 ( 0.934 -25.486 -1.145) 25.528 97.719 ( -0.160 2.476 0.369) 2.509 97.761 ( 0.208 2.036 0.369) 2.080 99.934 ( 0.035 0.712 0.104) 0.721 99.993 ( 0.044 -0.154 -0.091) 0.184 ======================= Grid point 469 (237/315) ======================= q-point: (-0.36 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -10.188 5.739 3.203) 12.124 2.530 ( -10.837 5.704 7.404) 14.311 2.794 ( 8.389 5.354 -0.131) 9.953 2.910 ( 6.996 -3.021 -0.667) 7.650 3.325 ( -5.223 2.349 -0.475) 5.746 3.613 ( -6.262 2.394 2.513) 7.160 4.649 ( -1.339 12.634 0.888) 12.736 4.823 ( -12.708 3.299 -3.220) 13.518 5.035 ( 3.273 13.620 1.553) 14.094 5.717 ( 3.860 -4.162 -10.246) 11.713 6.374 ( 6.024 -9.443 -2.194) 11.414 7.068 ( 8.015 -12.205 4.561) 15.297 9.367 ( -4.553 50.062 1.802) 50.301 11.574 ( 0.511 28.803 1.843) 28.866 13.174 ( -12.264 35.718 1.114) 37.781 13.711 ( 1.201 44.095 -2.755) 44.197 16.131 ( -17.380 -11.474 0.629) 20.836 17.063 ( 0.272 -10.447 -4.193) 11.260 44.727 ( 0.428 -20.955 -0.616) 20.968 44.791 ( 1.664 -26.193 -1.431) 26.285 97.715 ( -0.281 2.535 0.351) 2.575 97.769 ( 0.431 1.993 0.294) 2.060 99.935 ( 0.046 0.725 0.056) 0.729 99.996 ( 0.285 -0.112 0.035) 0.308 ======================= Grid point 470 (238/315) ======================= q-point: (-0.27 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -2.118 10.122 6.057) 11.985 2.313 ( -12.334 7.437 10.138) 17.613 2.875 ( -0.059 6.719 -0.409) 6.732 3.070 ( 7.929 1.966 -3.553) 8.909 3.201 ( -6.479 2.519 -2.768) 7.482 3.495 ( -5.715 4.810 3.293) 8.163 4.499 ( -14.012 -0.879 -2.848) 14.326 4.637 ( -5.253 9.644 3.773) 11.612 5.091 ( 2.398 16.361 -3.035) 16.812 5.730 ( 0.378 3.172 -9.558) 10.078 6.516 ( 8.892 -4.309 -3.001) 10.327 7.267 ( 10.097 -10.816 4.235) 15.390 9.262 ( -6.277 46.388 1.609) 46.839 11.593 ( 0.741 29.161 2.602) 29.287 12.953 ( -9.728 31.403 1.485) 32.908 13.679 ( -3.603 42.155 -2.292) 42.371 15.707 ( -24.670 -12.340 -0.391) 27.587 17.056 ( 0.159 -10.728 -2.473) 11.010 44.738 ( 0.791 -21.099 -0.264) 21.116 44.825 ( 2.058 -27.290 -1.632) 27.417 97.711 ( -0.224 2.603 0.329) 2.633 97.779 ( 0.430 1.925 0.230) 1.985 99.936 ( 0.092 0.717 0.033) 0.723 100.003 ( 0.399 -0.015 0.138) 0.423 ======================= Grid point 471 (239/315) ======================= q-point: (-0.18 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 4.571 13.459 7.940) 16.281 2.124 ( -9.343 9.026 12.738) 18.194 2.800 ( -5.918 11.905 -2.351) 13.501 3.048 ( -7.401 7.250 -5.495) 11.727 3.178 ( 2.946 7.378 -1.557) 8.095 3.431 ( -1.266 2.259 1.867) 3.193 4.222 ( -12.262 -2.694 -1.662) 12.664 4.505 ( -9.511 3.679 3.453) 10.767 5.119 ( 1.838 19.291 -5.992) 20.284 5.695 ( -1.091 9.172 -7.959) 12.193 6.693 ( 9.087 2.797 -2.407) 9.808 7.461 ( 7.665 -7.401 3.706) 11.280 9.143 ( -5.614 40.121 1.380) 40.535 11.615 ( 0.526 29.383 3.377) 29.581 12.812 ( -4.590 28.117 0.626) 28.496 13.564 ( -7.097 38.151 -1.566) 38.837 15.199 ( -24.778 -9.859 -0.294) 26.669 17.056 ( 0.256 -11.115 -1.312) 11.195 44.755 ( 0.896 -21.378 -0.084) 21.397 44.861 ( 1.980 -28.570 -1.735) 28.691 97.708 ( -0.089 2.620 0.289) 2.638 97.786 ( 0.267 1.869 0.211) 1.900 99.939 ( 0.145 0.703 0.034) 0.719 100.012 ( 0.356 0.088 0.190) 0.413 ======================= Grid point 472 (240/315) ======================= q-point: (-0.09 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 2.842 14.187 7.811) 16.443 2.025 ( -3.982 9.575 13.067) 16.682 2.708 ( -0.966 18.880 -1.453) 18.960 2.876 ( -7.415 6.567 -4.541) 10.896 3.201 ( -0.191 18.816 -0.197) 18.818 3.429 ( 0.322 -2.077 -1.745) 2.732 4.011 ( -8.626 -3.670 -1.718) 9.530 4.317 ( -8.204 -1.426 2.367) 8.657 5.134 ( 1.238 23.152 -6.443) 24.064 5.654 ( -1.075 12.189 -6.091) 13.668 6.838 ( 5.345 8.867 -1.330) 10.439 7.569 ( 1.930 -2.481 3.787) 4.922 9.068 ( -1.937 32.342 0.915) 32.413 11.634 ( 0.477 29.323 3.774) 29.569 12.768 ( -0.375 27.032 -1.074) 27.056 13.414 ( -6.596 32.760 -0.630) 33.423 14.793 ( -14.521 -4.768 0.363) 15.288 17.058 ( 0.150 -11.099 -0.747) 11.126 44.771 ( 0.734 -21.683 -0.091) 21.696 44.890 ( 1.334 -29.687 -1.798) 29.771 97.708 ( -0.003 2.589 0.237) 2.599 97.790 ( 0.030 1.848 0.258) 1.866 99.942 ( 0.129 0.694 0.030) 0.706 100.018 ( 0.202 0.161 0.203) 0.329 ======================= Grid point 473 (241/315) ======================= q-point: ( 0.00 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -1.219 7.346 10.010) 12.476 2.346 ( 0.021 15.794 2.623) 16.011 2.924 ( -0.122 5.105 -2.467) 5.671 3.084 ( 6.613 6.823 -5.435) 10.947 3.394 ( -5.768 9.080 1.247) 10.830 3.624 ( 2.792 13.828 -3.687) 14.581 3.817 ( -2.199 -2.573 -0.034) 3.385 4.161 ( 0.425 -5.128 1.104) 5.263 5.582 ( 0.274 18.103 -4.571) 18.673 5.809 ( -1.584 7.072 -4.189) 8.371 7.129 ( -1.382 11.549 4.642) 12.524 7.542 ( -2.005 -1.540 3.203) 4.081 9.763 ( 1.453 37.248 -0.375) 37.278 12.128 ( 0.900 14.339 4.615) 15.090 13.336 ( 0.996 27.146 -1.727) 27.219 13.930 ( 1.859 23.954 -1.061) 24.050 14.706 ( 0.879 8.584 0.364) 8.637 16.801 ( 0.442 -14.247 0.142) 14.254 44.287 ( -0.046 -26.590 -1.545) 26.634 44.324 ( 0.465 -23.188 -1.559) 23.245 97.764 ( -0.024 2.699 0.211) 2.708 97.827 ( -0.157 1.710 0.285) 1.741 99.958 ( 0.008 0.736 0.059) 0.738 100.022 ( 0.002 -0.082 0.281) 0.292 ======================= Grid point 474 (242/315) ======================= q-point: ( 0.09 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -1.938 6.829 8.556) 11.117 2.386 ( 2.963 14.967 3.686) 15.696 2.940 ( 2.029 3.501 -1.708) 4.392 3.176 ( 4.045 7.146 -8.820) 12.050 3.269 ( -6.579 11.423 2.752) 13.466 3.634 ( -0.517 7.217 -2.198) 7.562 3.902 ( 9.876 -1.317 -0.016) 9.963 4.276 ( 10.282 -6.036 0.962) 11.962 5.537 ( -3.722 18.781 -3.909) 19.541 5.762 ( -2.043 6.218 -2.460) 6.992 7.017 ( -10.639 11.017 4.983) 16.106 7.437 ( -9.255 -2.752 4.098) 10.489 9.866 ( 8.445 38.576 -1.211) 39.509 12.166 ( 1.369 15.789 3.034) 16.136 13.365 ( 3.415 28.655 -1.391) 28.891 14.109 ( 14.597 27.919 -3.054) 31.652 14.811 ( 10.246 3.533 -0.928) 10.877 16.812 ( 0.555 -13.218 -0.277) 13.233 44.279 ( -0.358 -26.442 -1.356) 26.479 44.325 ( 0.107 -23.136 -1.720) 23.200 97.764 ( -0.033 2.669 0.214) 2.678 97.823 ( -0.306 1.746 0.382) 1.814 99.957 ( -0.132 0.732 0.050) 0.745 100.020 ( -0.208 -0.095 0.228) 0.323 ======================= Grid point 475 (243/315) ======================= q-point: ( 0.18 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -0.648 7.225 5.401) 9.044 2.457 ( 2.208 13.277 6.178) 14.810 2.979 ( 0.875 -2.482 0.223) 2.641 3.173 ( -2.722 13.784 2.167) 14.216 3.206 ( 2.255 6.804 -8.795) 11.346 3.607 ( -1.932 3.601 0.029) 4.087 4.147 ( 13.825 -3.112 -1.508) 14.251 4.542 ( 15.353 -6.439 0.613) 16.660 5.422 ( -6.563 18.275 -2.658) 19.599 5.719 ( -1.802 5.059 -1.282) 5.522 6.762 ( -15.594 8.916 4.142) 18.434 7.222 ( -12.846 -5.789 4.845) 14.900 10.056 ( 10.186 41.115 -1.185) 42.375 12.185 ( -0.279 17.917 1.748) 18.004 13.493 ( 10.050 30.880 -1.622) 32.514 14.389 ( 12.483 36.897 -3.622) 39.120 15.127 ( 22.134 -6.521 -3.664) 23.364 16.816 ( -0.133 -11.512 -0.597) 11.528 44.267 ( -0.490 -25.808 -1.202) 25.841 44.320 ( -0.179 -22.785 -1.788) 22.856 97.764 ( -0.010 2.623 0.238) 2.634 97.817 ( -0.388 1.788 0.460) 1.886 99.953 ( -0.210 0.719 0.063) 0.752 100.015 ( -0.366 -0.129 0.127) 0.408 ======================= Grid point 476 (244/315) ======================= q-point: ( 0.27 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 2.127 8.479 1.519) 8.873 2.501 ( 0.413 10.512 8.229) 13.356 2.916 ( -7.044 -4.925 1.626) 8.748 3.187 ( 1.510 12.414 -2.398) 12.733 3.262 ( 6.460 4.656 -3.868) 8.852 3.560 ( -2.770 0.929 3.023) 4.204 4.417 ( 13.359 -3.575 -0.931) 13.860 4.849 ( 14.821 -7.085 -1.311) 16.480 5.279 ( -6.999 17.195 -0.789) 18.581 5.676 ( -2.663 3.937 -0.843) 4.827 6.452 ( -15.713 5.822 2.624) 16.961 6.982 ( -12.126 -8.620 4.772) 15.624 10.240 ( 8.181 43.014 -0.327) 43.786 12.166 ( -1.861 19.090 1.099) 19.212 13.742 ( 14.973 33.856 -2.611) 37.111 14.553 ( 5.030 40.117 -3.176) 40.555 15.618 ( 26.722 -9.611 -6.099) 29.045 16.800 ( -1.269 -9.995 -0.644) 10.096 44.255 ( -0.392 -24.885 -1.099) 24.912 44.310 ( -0.311 -22.289 -1.782) 22.362 97.765 ( 0.046 2.558 0.279) 2.573 97.811 ( -0.399 1.828 0.490) 1.935 99.949 ( -0.188 0.693 0.108) 0.726 100.007 ( -0.440 -0.169 -0.005) 0.472 ======================= Grid point 477 (245/315) ======================= q-point: ( 0.36 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 5.582 7.815 -1.604) 9.737 2.536 ( 1.149 6.859 9.420) 11.709 2.740 ( -10.794 -1.595 1.787) 11.056 3.163 ( -3.105 5.629 -4.578) 7.892 3.417 ( 8.296 5.304 -0.903) 9.888 3.539 ( -0.100 -0.988 6.342) 6.419 4.660 ( 10.894 -2.805 -0.011) 11.249 5.102 ( 10.714 -9.785 -2.861) 14.789 5.156 ( -4.708 17.318 0.895) 17.969 5.587 ( -6.447 5.171 -1.277) 8.363 6.198 ( -9.230 1.478 0.946) 9.395 6.785 ( -8.518 -10.619 4.010) 14.191 10.371 ( 4.913 44.072 0.756) 44.351 12.125 ( -2.328 19.267 0.831) 19.425 14.045 ( 15.592 36.606 -3.428) 39.936 14.577 ( -1.775 40.244 -2.750) 40.377 16.077 ( 19.441 -8.387 -6.066) 22.025 16.770 ( -1.097 -9.753 -1.221) 9.890 44.246 ( -0.107 -24.009 -1.075) 24.033 44.299 ( -0.287 -21.775 -1.719) 21.845 97.768 ( 0.091 2.486 0.319) 2.508 97.805 ( -0.325 1.868 0.473) 1.954 99.947 ( -0.094 0.661 0.168) 0.689 99.998 ( -0.403 -0.200 -0.123) 0.466 ======================= Grid point 478 (246/315) ======================= q-point: ( 0.45 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 7.013 2.516 -2.435) 7.838 2.510 ( -10.902 2.426 1.085) 11.221 2.612 ( 3.288 5.223 10.499) 12.179 3.052 ( -6.478 3.346 -2.381) 7.670 3.509 ( 0.160 5.847 3.869) 7.013 3.618 ( 5.977 -1.511 1.528) 6.351 4.824 ( 5.079 -0.779 -1.530) 5.361 5.089 ( -2.519 8.132 6.490) 10.705 5.275 ( 6.414 -5.438 -4.308) 9.448 5.440 ( -4.857 9.695 -5.002) 11.942 6.102 ( -1.171 -2.892 -0.095) 3.121 6.677 ( -3.175 -11.806 3.215) 12.641 10.437 ( 1.336 44.654 1.577) 44.702 12.085 ( -1.705 18.982 0.942) 19.081 14.305 ( 9.450 37.638 -3.057) 38.927 14.481 ( -5.442 40.491 -2.538) 40.934 16.293 ( 2.506 -6.974 -1.801) 7.627 16.780 ( 3.280 -10.652 -4.661) 12.081 44.245 ( 0.265 -23.491 -1.151) 23.520 44.290 ( -0.134 -21.356 -1.611) 21.417 97.770 ( 0.042 2.435 0.337) 2.459 97.801 ( -0.120 1.899 0.424) 1.949 99.947 ( 0.010 0.643 0.203) 0.674 99.991 ( -0.237 -0.216 -0.165) 0.360 ======================= Grid point 479 (247/315) ======================= q-point: (-0.45 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -10.888 4.284 1.921) 11.857 2.563 ( 8.642 1.246 -0.533) 8.747 2.725 ( 4.853 2.239 9.477) 10.881 2.911 ( -6.866 4.066 0.347) 7.987 3.486 ( -2.790 4.990 2.284) 6.156 3.707 ( 2.214 1.887 -0.579) 2.967 4.851 ( -1.231 1.990 -2.547) 3.459 5.021 ( -7.598 -2.565 5.464) 9.704 5.309 ( 1.444 15.433 -0.773) 15.520 5.501 ( 10.276 -0.967 -8.959) 13.667 6.122 ( 2.915 -4.968 -0.670) 5.799 6.686 ( 3.318 -12.127 3.073) 12.943 10.432 ( -2.361 44.906 1.910) 45.009 12.067 ( -0.456 18.699 1.549) 18.768 14.206 ( -13.521 36.521 0.277) 38.945 14.537 ( 6.583 40.982 -4.210) 41.720 16.197 ( -10.834 -8.602 1.251) 13.890 16.837 ( 2.832 -10.229 -6.205) 12.295 44.250 ( 0.613 -23.506 -1.332) 23.552 44.285 ( 0.101 -21.129 -1.462) 21.179 97.770 ( -0.110 2.445 0.329) 2.469 97.803 ( 0.182 1.893 0.356) 1.935 99.948 ( 0.053 0.653 0.167) 0.677 99.989 ( 0.047 -0.219 -0.086) 0.240 ======================= Grid point 480 (248/315) ======================= q-point: (-0.36 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -5.511 9.911 3.524) 11.875 2.628 ( -6.056 3.635 6.087) 9.324 2.834 ( 4.662 -0.347 6.970) 8.393 2.878 ( 5.051 -0.413 -0.490) 5.091 3.432 ( -2.066 7.767 -2.183) 8.328 3.704 ( -1.951 5.086 -1.205) 5.579 4.740 ( -10.206 -1.621 -4.240) 11.170 4.871 ( -7.215 1.190 5.628) 9.227 5.357 ( 3.480 14.650 -4.188) 15.629 5.696 ( 9.867 2.155 -7.519) 12.591 6.229 ( 8.834 -4.153 -0.141) 9.763 6.821 ( 9.105 -11.536 3.401) 15.085 10.353 ( -6.085 44.712 1.737) 45.158 12.075 ( 0.550 18.542 2.573) 18.728 13.903 ( -16.361 34.000 1.893) 37.779 14.602 ( 0.747 41.035 -3.687) 41.207 15.896 ( -19.482 -11.009 1.079) 22.404 16.847 ( -0.029 -10.257 -4.256) 11.105 44.261 ( 0.847 -24.076 -1.605) 24.144 44.286 ( 0.360 -21.132 -1.263) 21.172 97.768 ( -0.182 2.527 0.307) 2.552 97.809 ( 0.363 1.836 0.280) 1.892 99.949 ( 0.054 0.680 0.090) 0.688 99.993 ( 0.338 -0.200 0.073) 0.400 ======================= Grid point 481 (249/315) ======================= q-point: (-0.27 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 1.401 13.680 4.346) 14.422 2.467 ( -10.020 7.532 10.659) 16.454 2.933 ( 2.728 -0.105 3.550) 4.478 2.988 ( 4.482 -5.278 -0.288) 6.930 3.411 ( 1.306 12.263 -6.574) 13.975 3.641 ( -3.659 7.989 -0.463) 8.799 4.466 ( -14.850 -1.584 -3.287) 15.292 4.730 ( -9.385 -0.258 4.087) 10.240 5.421 ( 4.419 14.886 -6.173) 16.710 5.812 ( 4.135 3.934 -7.672) 9.562 6.479 ( 15.249 0.784 1.200) 15.316 7.049 ( 12.416 -9.955 3.455) 16.285 10.201 ( -9.451 43.789 1.336) 44.817 12.096 ( 0.544 18.164 3.762) 18.557 13.602 ( -13.824 30.656 2.691) 33.736 14.541 ( -6.026 40.377 -2.973) 40.932 15.457 ( -23.724 -11.623 0.587) 26.425 16.827 ( -0.944 -11.411 -1.849) 11.599 44.274 ( 0.878 -25.025 -1.904) 25.112 44.292 ( 0.605 -21.369 -1.049) 21.403 97.765 ( -0.142 2.630 0.281) 2.648 97.818 ( 0.362 1.762 0.214) 1.811 99.951 ( 0.092 0.708 0.053) 0.716 100.002 ( 0.471 -0.163 0.202) 0.538 ======================= Grid point 482 (250/315) ======================= q-point: (-0.18 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 2.637 12.410 4.778) 13.557 2.340 ( -4.680 11.784 11.282) 16.972 2.957 ( -0.389 3.302 0.533) 3.367 3.024 ( -0.477 -3.650 -1.286) 3.899 3.444 ( 3.542 12.107 -8.416) 15.164 3.577 ( -2.400 10.869 1.549) 11.238 4.173 ( -13.179 -1.734 -2.372) 13.502 4.511 ( -13.170 -2.299 2.331) 13.571 5.495 ( 4.563 16.184 -6.096) 17.885 5.842 ( 1.476 5.331 -6.996) 8.919 6.791 ( 14.725 6.047 2.270) 16.080 7.305 ( 11.617 -7.092 3.059) 13.950 9.999 ( -10.625 41.740 1.025) 43.083 12.110 ( -0.345 16.990 4.832) 17.668 13.395 ( -7.227 27.778 1.936) 28.768 14.342 ( -13.222 35.481 -2.149) 37.926 15.025 ( -18.249 -5.908 0.771) 19.197 16.806 ( -0.748 -13.016 -0.313) 13.041 44.284 ( 0.664 -25.798 -1.957) 25.881 44.304 ( 0.786 -22.047 -1.068) 22.087 97.764 ( -0.067 2.698 0.253) 2.711 97.824 ( 0.232 1.708 0.185) 1.733 99.953 ( 0.139 0.729 0.058) 0.744 100.011 ( 0.415 -0.123 0.270) 0.510 ======================= Grid point 483 (251/315) ======================= q-point: (-0.09 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -1.444 8.342 9.288) 12.567 2.341 ( 0.398 15.792 4.606) 16.455 2.950 ( -0.651 4.363 -1.020) 4.528 2.999 ( 1.006 4.188 -2.738) 5.104 3.465 ( -0.708 6.760 -3.788) 7.781 3.573 ( 2.022 15.610 -0.962) 15.770 3.946 ( -9.108 -2.320 -2.003) 9.610 4.264 ( -10.591 -3.508 1.677) 11.282 5.559 ( 3.197 17.187 -5.322) 18.274 5.839 ( -0.026 6.745 -5.735) 8.854 7.041 ( 8.775 9.829 3.471) 13.626 7.494 ( 5.968 -3.573 2.820) 7.506 9.819 ( -6.793 38.851 0.561) 39.444 12.113 ( -0.563 15.144 5.322) 16.062 13.325 ( -0.541 26.446 -0.154) 26.452 14.056 ( -12.683 26.952 -1.034) 29.805 14.771 ( -7.779 4.845 0.821) 9.202 16.797 ( -0.156 -14.156 0.258) 14.159 44.289 ( 0.329 -26.301 -1.763) 26.362 44.316 ( 0.738 -22.816 -1.317) 22.866 97.764 ( -0.023 2.715 0.227) 2.725 97.827 ( 0.038 1.692 0.210) 1.705 99.956 ( 0.119 0.737 0.066) 0.749 100.019 ( 0.230 -0.093 0.293) 0.384 ======================= Grid point 484 (252/315) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -1.420 9.874 5.277) 11.285 2.641 ( 0.001 12.552 1.092) 12.600 2.951 ( 0.354 -3.500 -2.467) 4.296 3.094 ( 4.669 -2.008 -2.290) 5.574 3.624 ( -2.181 10.594 -3.136) 11.262 3.803 ( -3.506 2.119 -0.112) 4.098 3.858 ( 1.789 7.472 -3.164) 8.309 4.047 ( -0.849 -5.777 1.371) 5.997 5.851 ( 0.621 8.085 -2.017) 8.356 5.936 ( -1.729 5.178 -4.139) 6.851 7.330 ( -1.520 7.897 7.536) 11.021 7.531 ( -1.382 0.354 1.230) 1.884 10.549 ( 1.468 37.916 0.258) 37.945 12.201 ( 1.309 -7.131 4.103) 8.331 13.851 ( 2.140 22.083 -1.292) 22.224 14.281 ( 1.845 10.289 -1.191) 10.521 15.048 ( 0.460 22.983 1.413) 23.031 16.467 ( 0.711 -18.173 0.725) 18.201 43.815 ( 0.030 -17.868 -2.107) 17.992 43.896 ( 0.295 -17.909 -1.865) 18.008 97.816 ( -0.050 2.219 0.213) 2.230 97.856 ( -0.121 1.016 0.240) 1.051 99.974 ( -0.002 0.789 0.125) 0.799 100.017 ( -0.006 -0.410 0.308) 0.513 ======================= Grid point 485 (253/315) ======================= q-point: ( 0.09 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -2.027 9.090 5.458) 10.795 2.663 ( 1.475 10.883 1.747) 11.121 2.943 ( -0.429 -2.618 -1.507) 3.052 3.173 ( 3.766 -2.610 -4.364) 6.328 3.553 ( -4.177 12.287 -2.261) 13.173 3.744 ( -2.120 3.027 1.349) 3.934 3.931 ( 6.575 3.364 -2.502) 7.798 4.147 ( 9.496 -6.247 1.538) 11.470 5.830 ( -2.730 9.176 -1.753) 9.732 5.868 ( -3.482 4.554 -2.592) 6.291 7.208 ( -12.149 7.345 7.630) 16.117 7.401 ( -11.429 -0.622 1.690) 11.570 10.670 ( 9.746 38.346 -0.646) 39.571 12.275 ( 4.471 -5.211 2.513) 7.312 13.912 ( 5.413 23.639 -1.984) 24.332 14.474 ( 17.391 7.517 -3.534) 19.272 15.103 ( 4.410 23.454 0.553) 23.872 16.501 ( 2.384 -17.027 -0.092) 17.193 43.812 ( 0.185 -17.685 -1.869) 17.785 43.896 ( 0.224 -17.946 -1.882) 18.046 97.815 ( -0.085 2.180 0.235) 2.194 97.853 ( -0.253 1.052 0.316) 1.127 99.972 ( -0.154 0.780 0.112) 0.803 100.015 ( -0.228 -0.415 0.259) 0.540 ======================= Grid point 486 (254/315) ======================= q-point: ( 0.18 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -0.136 8.493 5.151) 9.934 2.684 ( -0.537 6.642 3.729) 7.636 2.923 ( -1.843 -0.855 -0.085) 2.033 3.218 ( 2.272 -2.124 -4.591) 5.546 3.471 ( -3.006 11.971 -0.921) 12.377 3.696 ( -3.405 3.624 1.546) 5.208 4.115 ( 11.836 0.173 -1.325) 11.911 4.394 ( 13.999 -7.517 1.442) 15.955 5.723 ( -6.576 10.412 -2.297) 12.527 5.804 ( -3.031 3.463 -0.602) 4.641 6.923 ( -17.565 6.313 5.879) 19.569 7.127 ( -15.660 -3.185 2.452) 16.168 10.884 ( 11.017 38.426 -0.658) 39.980 12.357 ( 2.653 -1.560 1.392) 3.378 14.084 ( 12.705 25.742 -2.826) 28.845 14.910 ( 26.696 2.076 -6.191) 27.483 15.206 ( 5.409 24.644 -0.676) 25.240 16.550 ( 2.428 -14.433 -0.929) 14.665 43.813 ( 0.363 -17.228 -1.627) 17.309 43.895 ( 0.180 -17.717 -1.848) 17.814 97.814 ( -0.087 2.113 0.267) 2.132 97.848 ( -0.330 1.101 0.386) 1.212 99.968 ( -0.248 0.751 0.111) 0.798 100.009 ( -0.390 -0.415 0.167) 0.593 ======================= Grid point 487 (255/315) ======================= q-point: ( 0.27 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 2.155 8.190 3.116) 9.024 2.663 ( -2.625 2.748 4.934) 6.228 2.859 ( -4.616 1.922 2.799) 5.730 3.236 ( 0.309 -3.832 -5.102) 6.389 3.447 ( 0.853 10.303 0.976) 10.385 3.631 ( -3.068 4.003 2.770) 5.754 4.364 ( 12.845 -1.002 0.230) 12.886 4.672 ( 12.820 -9.158 0.793) 15.775 5.580 ( -6.908 11.248 -1.112) 13.247 5.738 ( -3.449 2.305 -0.423) 4.171 6.576 ( -17.752 5.578 2.865) 18.827 6.830 ( -14.278 -5.830 2.630) 15.645 11.076 ( 8.103 37.543 0.071) 38.407 12.382 ( -0.310 1.414 0.871) 1.690 14.384 ( 17.674 27.813 -4.052) 33.202 15.291 ( 2.988 25.897 -1.702) 26.124 15.449 ( 28.146 -2.269 -7.899) 29.322 16.581 ( 0.783 -11.537 -1.327) 11.639 43.817 ( 0.501 -16.653 -1.453) 16.723 43.893 ( 0.182 -17.298 -1.777) 17.390 97.813 ( -0.045 2.025 0.301) 2.048 97.842 ( -0.339 1.158 0.426) 1.279 99.964 ( -0.242 0.697 0.135) 0.750 100.001 ( -0.453 -0.399 0.048) 0.606 ======================= Grid point 488 (256/315) ======================= q-point: ( 0.36 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 2.002 6.292 -0.375) 6.614 2.608 ( -4.318 -0.603 3.899) 5.849 2.785 ( -3.294 6.585 6.910) 10.097 3.188 ( -3.861 -2.989 -2.215) 5.362 3.511 ( 4.974 5.580 1.010) 7.542 3.606 ( -0.508 4.207 3.408) 5.439 4.605 ( 10.686 -1.875 1.237) 10.920 4.880 ( 7.411 -10.462 0.765) 12.844 5.462 ( -4.226 11.636 -0.103) 12.380 5.665 ( -3.773 2.219 -0.642) 4.424 6.271 ( -12.416 4.805 -0.229) 13.315 6.594 ( -9.851 -7.794 1.812) 12.692 11.203 ( 4.540 36.187 0.929) 36.483 12.360 ( -1.787 3.134 0.679) 3.671 14.727 ( 17.185 29.045 -4.673) 34.071 15.300 ( -1.777 27.711 -2.291) 27.862 15.928 ( 20.786 -4.896 -7.621) 22.674 16.573 ( -0.880 -9.626 -1.743) 9.822 43.824 ( 0.553 -16.149 -1.397) 16.219 43.892 ( 0.205 -16.819 -1.702) 16.906 97.814 ( 0.009 1.931 0.324) 1.958 97.837 ( -0.269 1.219 0.428) 1.320 99.960 ( -0.150 0.624 0.177) 0.666 99.992 ( -0.397 -0.362 -0.060) 0.541 ======================= Grid point 489 (257/315) ======================= q-point: ( 0.45 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -0.628 1.814 -1.054) 2.190 2.523 ( -3.382 -0.688 1.818) 3.901 2.782 ( 0.423 9.395 8.650) 12.777 3.093 ( -5.447 0.234 2.388) 5.952 3.599 ( 0.293 3.254 3.152) 4.539 3.642 ( 5.759 2.571 -0.854) 6.365 4.776 ( 5.896 -2.625 0.525) 6.475 4.957 ( -0.038 -9.819 2.627) 10.164 5.439 ( 2.470 10.240 -0.130) 10.534 5.595 ( -2.410 4.633 -2.300) 5.706 6.104 ( -4.163 2.778 -1.847) 5.334 6.459 ( -3.833 -9.095 0.937) 9.914 11.263 ( 1.208 35.182 1.547) 35.236 12.326 ( -1.683 3.918 0.875) 4.353 14.988 ( 7.308 28.131 -3.178) 29.238 15.223 ( -2.887 30.002 -3.319) 30.323 16.163 ( 2.736 -5.221 -2.883) 6.562 16.573 ( 2.952 -9.652 -5.013) 11.270 43.831 ( 0.509 -15.876 -1.470) 15.952 43.892 ( 0.218 -16.426 -1.657) 16.511 97.815 ( 0.011 1.865 0.325) 1.893 97.835 ( -0.095 1.263 0.396) 1.327 99.959 ( -0.020 0.556 0.206) 0.593 99.986 ( -0.225 -0.311 -0.105) 0.398 ======================= Grid point 490 (258/315) ======================= q-point: (-0.45 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -4.202 4.033 1.758) 6.084 2.549 ( 4.703 -2.220 0.490) 5.224 2.825 ( 1.180 6.574 7.946) 10.380 2.981 ( -7.078 2.289 5.801) 9.434 3.596 ( -0.233 5.340 -0.160) 5.347 3.746 ( 4.182 1.293 -1.710) 4.699 4.822 ( -1.674 -2.734 -1.611) 3.588 4.915 ( -4.311 -6.442 4.214) 8.822 5.557 ( 6.281 8.187 0.160) 10.320 5.577 ( 4.485 5.704 -6.017) 9.427 6.083 ( 2.335 1.250 -1.164) 2.894 6.457 ( 3.486 -9.831 1.210) 10.500 11.259 ( -2.115 35.039 1.788) 35.149 12.305 ( -0.736 3.953 1.588) 4.323 14.877 ( -14.152 27.921 0.464) 31.306 15.280 ( 5.760 29.258 -4.778) 30.200 16.044 ( -12.568 -5.245 0.826) 13.644 16.633 ( 3.073 -9.870 -6.516) 12.220 43.835 ( 0.390 -15.910 -1.649) 16.000 43.892 ( 0.216 -16.246 -1.654) 16.332 97.816 ( -0.049 1.878 0.307) 1.904 97.836 ( 0.142 1.250 0.336) 1.302 99.960 ( 0.067 0.530 0.179) 0.563 99.984 ( 0.051 -0.277 -0.041) 0.284 ======================= Grid point 491 (259/315) ======================= q-point: (-0.36 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -0.205 9.477 3.077) 9.966 2.657 ( 3.718 -1.285 1.772) 4.315 2.840 ( -4.689 1.533 11.349) 12.375 2.883 ( 0.059 0.788 2.826) 2.934 3.604 ( 1.698 8.025 -3.633) 8.971 3.790 ( 0.981 2.814 -2.653) 3.990 4.697 ( -9.714 -1.800 -2.744) 10.253 4.824 ( -6.356 -4.554 3.420) 8.534 5.605 ( 3.832 9.220 -5.940) 11.618 5.762 ( 9.088 2.945 -4.963) 10.766 6.212 ( 11.400 2.324 2.274) 11.855 6.602 ( 10.415 -9.467 2.279) 14.258 11.187 ( -5.695 35.820 1.691) 36.310 12.303 ( -0.183 3.191 2.690) 4.178 14.542 ( -18.718 27.458 2.313) 33.311 15.333 ( 0.356 25.444 -3.188) 25.645 15.709 ( -20.758 -3.441 0.672) 21.052 16.637 ( -0.997 -10.490 -4.299) 11.380 43.837 ( 0.233 -16.234 -1.889) 16.345 43.891 ( 0.224 -16.338 -1.677) 16.425 97.815 ( -0.061 1.974 0.276) 1.994 97.841 ( 0.281 1.176 0.267) 1.238 99.962 ( 0.100 0.568 0.113) 0.588 99.988 ( 0.335 -0.285 0.104) 0.452 ======================= Grid point 492 (260/315) ======================= q-point: (-0.27 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 2.946 12.555 2.471) 13.130 2.615 ( -6.336 6.500 9.794) 13.354 2.871 ( 4.316 -4.652 1.070) 6.435 2.919 ( 1.655 -2.247 5.003) 5.729 3.638 ( 2.807 9.394 -6.207) 11.604 3.783 ( -0.528 5.165 -2.592) 5.803 4.449 ( -13.765 0.122 -3.113) 14.113 4.667 ( -10.286 -4.915 1.747) 11.533 5.679 ( 5.022 9.796 -6.183) 12.626 5.875 ( 4.523 2.041 -6.754) 8.381 6.535 ( 18.580 4.091 4.658) 19.587 6.867 ( 15.045 -7.553 2.721) 17.053 11.040 ( -9.518 37.070 1.524) 38.303 12.302 ( -1.163 1.348 3.876) 4.265 14.189 ( -16.694 25.751 3.448) 30.881 15.227 ( -20.843 -10.826 1.718) 23.549 15.306 ( -8.254 32.990 -3.081) 34.146 16.585 ( -3.067 -12.293 -1.687) 12.781 43.834 ( 0.080 -16.749 -2.122) 16.883 43.892 ( 0.263 -16.674 -1.711) 16.764 97.815 ( -0.029 2.092 0.243) 2.106 97.848 ( 0.287 1.089 0.208) 1.145 99.965 ( 0.146 0.650 0.092) 0.672 99.997 ( 0.465 -0.326 0.224) 0.610 ======================= Grid point 493 (261/315) ======================= q-point: (-0.18 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -1.311 10.858 3.130) 11.376 2.583 ( 1.171 10.965 8.154) 13.714 2.927 ( 1.392 -5.606 -0.450) 5.793 2.974 ( 2.241 -1.085 2.556) 3.568 3.665 ( 1.406 9.258 -6.957) 11.666 3.777 ( 0.963 7.063 -1.833) 7.360 4.164 ( -13.289 1.121 -2.773) 13.621 4.432 ( -13.165 -4.939 0.328) 14.065 5.761 ( 4.514 9.432 -5.177) 11.668 5.928 ( 2.868 3.021 -6.031) 7.330 6.917 ( 17.423 5.747 5.490) 19.150 7.185 ( 15.351 -4.473 2.166) 16.135 10.827 ( -11.750 37.915 1.499) 39.722 12.269 ( -3.306 -1.881 4.845) 6.160 13.933 ( -9.440 23.775 2.947) 25.750 14.761 ( -22.118 -0.638 -0.003) 22.127 15.184 ( -5.973 26.145 -0.125) 26.819 16.519 ( -3.073 -14.957 0.145) 15.270 43.829 ( -0.027 -17.302 -2.264) 17.449 43.893 ( 0.318 -17.150 -1.755) 17.242 97.815 ( -0.003 2.183 0.218) 2.193 97.853 ( 0.193 1.027 0.178) 1.060 99.968 ( 0.173 0.729 0.110) 0.757 100.006 ( 0.411 -0.371 0.290) 0.625 ======================= Grid point 494 (262/315) ======================= q-point: (-0.09 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -1.612 10.188 5.265) 11.581 2.636 ( 1.112 12.577 2.418) 12.856 2.943 ( 0.791 -5.471 -1.591) 5.753 3.021 ( 2.656 0.104 0.502) 2.705 3.660 ( -0.236 9.924 -4.937) 11.087 3.805 ( 1.932 6.194 -2.317) 6.890 3.938 ( -8.093 2.294 -2.122) 8.676 4.179 ( -11.290 -4.575 0.418) 12.189 5.823 ( 2.859 8.642 -3.589) 9.785 5.954 ( 1.052 4.239 -4.961) 6.610 7.219 ( 10.382 7.294 6.489) 14.251 7.445 ( 9.308 -1.271 1.412) 9.500 10.620 ( -8.274 37.941 1.211) 38.851 12.211 ( -3.193 -5.578 5.084) 8.195 13.834 ( -1.359 22.319 0.904) 22.378 14.403 ( -12.959 6.880 -0.556) 14.683 15.081 ( -3.995 23.727 1.261) 24.094 16.473 ( -1.538 -17.324 0.926) 17.417 43.822 ( -0.048 -17.721 -2.257) 17.864 43.894 ( 0.338 -17.612 -1.813) 17.708 97.816 ( -0.012 2.224 0.207) 2.233 97.856 ( 0.042 1.004 0.189) 1.022 99.972 ( 0.126 0.775 0.128) 0.796 100.014 ( 0.229 -0.398 0.317) 0.558 ======================= Grid point 495 (263/315) ======================= q-point: ( 0.00 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -1.391 11.110 1.669) 11.320 2.767 ( -2.181 -7.338 0.200) 7.658 2.896 ( 3.354 6.426 -1.683) 7.442 3.029 ( 2.957 -4.845 -1.218) 5.806 3.790 ( -2.161 6.271 -1.386) 6.776 3.888 ( -1.037 4.843 -2.193) 5.416 3.910 ( -1.735 -4.503 -1.272) 4.990 3.950 ( 0.059 -1.446 -1.414) 2.024 5.960 ( -0.184 3.398 -1.584) 3.754 5.995 ( -0.879 0.317 -2.665) 2.824 7.462 ( -1.461 4.973 5.909) 7.860 7.529 ( -1.287 -1.359 2.826) 3.390 11.288 ( 1.612 32.969 1.302) 33.034 11.876 ( 1.602 -23.179 2.636) 23.384 14.220 ( 2.424 13.081 -0.677) 13.321 14.372 ( 2.104 -1.475 -0.562) 2.631 15.560 ( 0.480 25.102 1.389) 25.145 16.051 ( 0.658 -22.178 1.137) 22.217 43.579 ( 0.096 -4.762 -2.270) 5.276 43.618 ( 0.186 -8.254 -2.197) 8.543 97.852 ( -0.073 1.253 0.215) 1.274 97.866 ( -0.094 -0.067 0.221) 0.250 99.990 ( -0.009 0.791 0.204) 0.817 100.005 ( -0.011 -0.670 0.275) 0.724 ======================= Grid point 496 (264/315) ======================= q-point: ( 0.09 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -2.642 10.386 2.720) 11.057 2.712 ( -3.193 -7.041 1.171) 7.819 2.967 ( 3.770 6.559 -1.775) 7.771 3.097 ( 3.799 -5.080 -2.696) 6.892 3.742 ( -3.481 5.768 -1.386) 6.878 3.788 ( -3.603 0.933 0.927) 3.836 3.986 ( 5.612 1.655 -2.158) 6.236 4.035 ( 8.529 -4.063 0.557) 9.464 5.930 ( -2.562 2.511 -0.889) 3.696 5.946 ( -3.397 1.441 -1.924) 4.161 7.328 ( -12.953 4.420 6.129) 14.996 7.388 ( -12.843 -1.419 2.947) 13.253 11.410 ( 9.382 32.664 0.115) 33.985 11.983 ( 7.615 -22.029 1.199) 23.339 14.312 ( 7.821 14.695 -2.200) 16.791 14.505 ( 11.574 -3.916 -2.506) 12.473 15.625 ( 5.533 25.145 0.317) 25.749 16.106 ( 4.456 -21.281 0.126) 21.743 43.578 ( 0.410 -4.699 -2.067) 5.150 43.618 ( 0.371 -8.263 -2.079) 8.529 97.851 ( -0.145 1.216 0.254) 1.251 97.864 ( -0.201 -0.032 0.277) 0.344 99.989 ( -0.187 0.781 0.181) 0.823 100.004 ( -0.218 -0.666 0.238) 0.740 ======================= Grid point 497 (265/315) ======================= q-point: ( 0.18 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -1.179 8.989 4.110) 9.954 2.656 ( -2.862 -6.853 2.956) 7.993 3.012 ( 0.597 7.099 -0.798) 7.169 3.142 ( 1.176 -5.095 -2.802) 5.933 3.660 ( -3.598 6.226 -0.060) 7.191 3.729 ( -3.242 -0.653 1.074) 3.477 4.152 ( 10.962 3.296 -0.252) 11.449 4.250 ( 12.248 -6.128 1.104) 13.740 5.850 ( -5.144 2.674 -1.556) 6.003 5.862 ( -4.399 1.572 -0.416) 4.690 7.023 ( -18.191 3.640 5.103) 19.241 7.080 ( -17.769 -2.035 2.637) 18.079 11.609 ( 9.576 31.130 -0.199) 32.570 12.136 ( 6.566 -19.082 0.499) 20.187 14.534 ( 15.241 17.566 -3.774) 23.560 14.806 ( 19.179 -9.092 -4.566) 21.711 15.760 ( 7.671 24.953 -1.396) 26.142 16.210 ( 5.651 -18.863 -1.185) 19.727 43.584 ( 0.684 -4.657 -1.844) 5.055 43.622 ( 0.537 -8.060 -1.921) 8.303 97.848 ( -0.175 1.149 0.298) 1.200 97.860 ( -0.259 0.028 0.334) 0.424 99.984 ( -0.306 0.741 0.152) 0.816 99.998 ( -0.363 -0.636 0.174) 0.753 ======================= Grid point 498 (266/315) ======================= q-point: ( 0.27 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 0.404 6.834 3.894) 7.876 2.615 ( -2.400 -4.978 3.707) 6.655 2.984 ( -2.964 7.519 1.631) 8.245 3.128 ( -1.706 -6.264 -1.398) 6.641 3.614 ( -1.124 5.611 0.934) 5.798 3.674 ( -2.202 -0.277 1.495) 2.676 4.387 ( 11.829 3.297 1.231) 12.341 4.498 ( 11.661 -7.255 1.492) 13.815 5.735 ( -5.804 4.067 -0.800) 7.133 5.769 ( -4.700 0.325 -0.269) 4.719 6.671 ( -17.571 3.684 2.563) 18.135 6.739 ( -16.351 -3.375 1.748) 16.787 11.764 ( 5.903 28.603 0.190) 29.206 12.229 ( 2.708 -15.718 0.437) 15.955 14.874 ( 19.344 19.648 -5.179) 28.054 15.200 ( 20.448 -12.330 -5.625) 24.531 15.906 ( 7.430 23.404 -3.182) 24.760 16.306 ( 4.015 -15.791 -2.114) 16.430 43.594 ( 0.827 -4.636 -1.671) 4.997 43.628 ( 0.637 -7.723 -1.773) 7.950 97.846 ( -0.153 1.057 0.332) 1.119 97.856 ( -0.256 0.106 0.373) 0.465 99.978 ( -0.323 0.670 0.131) 0.755 99.991 ( -0.406 -0.577 0.098) 0.712 ======================= Grid point 499 (267/315) ======================= q-point: ( 0.36 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -1.515 4.245 1.270) 4.683 2.566 ( -3.709 -2.832 2.533) 5.310 2.943 ( -1.281 7.775 5.514) 9.617 3.088 ( -1.935 -6.121 2.304) 6.821 3.617 ( 1.190 3.926 0.744) 4.169 3.656 ( -0.163 0.339 1.393) 1.443 4.603 ( 9.050 2.072 2.178) 9.536 4.696 ( 7.469 -6.937 2.019) 10.391 5.631 ( -4.080 4.942 -0.046) 6.409 5.683 ( -3.617 -0.538 -0.151) 3.660 6.370 ( -12.442 4.517 -0.412) 13.243 6.464 ( -11.261 -5.028 0.088) 12.332 11.848 ( 2.570 25.972 0.718) 26.109 12.255 ( 0.092 -12.979 0.579) 12.992 15.229 ( 16.731 19.519 -5.444) 26.279 15.518 ( 11.380 -6.886 -4.554) 14.059 16.041 ( 7.530 15.677 -4.975) 18.089 16.350 ( 1.148 -12.711 -2.717) 13.048 43.606 ( 0.790 -4.631 -1.601) 4.963 43.636 ( 0.621 -7.374 -1.687) 7.590 97.844 ( -0.091 0.957 0.346) 1.022 97.852 ( -0.189 0.192 0.383) 0.469 99.973 ( -0.239 0.572 0.125) 0.633 99.984 ( -0.333 -0.491 0.034) 0.594 ======================= Grid point 500 (268/315) ======================= q-point: ( 0.45 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -2.527 2.399 0.152) 3.488 2.495 ( -2.977 -1.937 1.179) 3.743 2.955 ( -0.253 6.977 7.715) 10.405 3.061 ( -2.517 -3.274 6.135) 7.395 3.657 ( 1.851 2.107 0.273) 2.818 3.676 ( 2.645 0.393 -0.561) 2.732 4.746 ( 4.484 0.173 2.106) 4.957 4.799 ( 2.260 -5.176 2.677) 6.250 5.592 ( 0.543 4.574 0.028) 4.606 5.637 ( -0.522 -0.124 -0.776) 0.944 6.190 ( -5.153 4.962 -2.189) 7.481 6.303 ( -4.615 -6.230 -1.191) 7.844 11.877 ( 0.270 24.154 1.189) 24.185 12.247 ( -0.903 -11.293 0.916) 11.366 15.452 ( 4.635 16.486 -3.195) 17.421 15.613 ( 0.957 4.333 -3.280) 5.518 16.146 ( 2.349 6.343 -4.140) 7.931 16.362 ( 2.286 -11.244 -4.866) 12.463 43.615 ( 0.585 -4.647 -1.651) 4.966 43.643 ( 0.480 -7.119 -1.695) 7.334 97.844 ( -0.026 0.886 0.335) 0.948 97.851 ( -0.064 0.254 0.362) 0.447 99.970 ( -0.087 0.472 0.130) 0.497 99.979 ( -0.166 -0.396 0.008) 0.429 ======================= Grid point 501 (269/315) ======================= q-point: (-0.45 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 0.074 3.760 1.391) 4.010 2.492 ( 2.565 -3.168 1.153) 4.237 2.946 ( -2.988 4.515 7.925) 9.598 2.999 ( -5.843 -0.684 7.857) 9.815 3.693 ( 2.434 3.812 -1.780) 4.861 3.747 ( 4.040 -1.315 -2.077) 4.729 4.780 ( -1.729 -0.709 0.711) 1.999 4.807 ( -1.957 -3.429 2.490) 4.668 5.659 ( 5.944 2.316 -1.635) 6.585 5.663 ( 3.483 1.932 -2.348) 4.623 6.157 ( 2.502 5.220 -1.144) 5.901 6.283 ( 3.152 -7.096 -0.435) 7.777 11.867 ( -1.647 23.786 1.587) 23.895 12.229 ( -1.147 -10.978 1.533) 11.143 15.347 ( -12.587 17.658 0.285) 21.687 15.581 ( -5.602 -2.500 -1.437) 6.301 16.108 ( -3.405 13.270 -3.399) 14.116 16.405 ( 2.148 -12.924 -5.909) 14.372 43.619 ( 0.286 -4.691 -1.804) 5.035 43.645 ( 0.258 -7.022 -1.797) 7.253 97.845 ( 0.019 0.903 0.304) 0.953 97.852 ( 0.086 0.237 0.316) 0.404 99.970 ( 0.069 0.414 0.129) 0.439 99.978 ( 0.060 -0.334 0.041) 0.342 ======================= Grid point 502 (270/315) ======================= q-point: (-0.36 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 4.119 7.050 2.255) 8.470 2.590 ( 6.255 -4.707 1.539) 7.978 2.880 ( -7.163 1.727 9.522) 12.039 2.897 ( -4.098 0.165 6.451) 7.644 3.742 ( 3.122 5.123 -3.856) 7.132 3.808 ( 2.758 -1.159 -3.442) 4.560 4.683 ( -7.810 0.711 -0.891) 7.892 4.730 ( -6.444 -3.806 1.009) 7.552 5.740 ( 5.119 4.215 -4.969) 8.286 5.789 ( 6.746 -0.523 -4.493) 8.122 6.301 ( 12.116 5.666 2.599) 13.626 6.432 ( 11.561 -7.129 1.920) 13.717 11.818 ( -4.003 25.071 1.896) 25.459 12.206 ( -1.882 -12.225 2.332) 12.587 15.026 ( -18.985 19.470 2.272) 27.289 15.352 ( -16.654 -12.136 1.696) 20.676 16.020 ( -4.689 21.474 -3.860) 22.316 16.389 ( -2.335 -14.351 -4.215) 15.139 43.617 ( -0.013 -4.762 -2.017) 5.171 43.643 ( 0.042 -7.103 -1.953) 7.367 97.846 ( 0.064 1.001 0.262) 1.037 97.855 ( 0.181 0.147 0.260) 0.349 99.973 ( 0.183 0.454 0.125) 0.506 99.981 ( 0.275 -0.364 0.122) 0.472 ======================= Grid point 503 (271/315) ======================= q-point: (-0.27 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 3.917 9.140 1.015) 9.996 2.696 ( 1.823 -1.446 3.387) 4.110 2.801 ( -0.794 0.324 5.960) 6.022 2.861 ( -0.719 -3.369 7.447) 8.206 3.788 ( 2.567 4.962 -5.295) 7.697 3.839 ( 1.514 0.122 -4.076) 4.349 4.478 ( -11.970 2.747 -2.205) 12.477 4.559 ( -10.610 -4.958 -0.544) 11.724 5.827 ( 4.859 4.834 -5.549) 8.819 5.887 ( 4.792 -1.074 -5.840) 7.630 6.630 ( 18.792 4.900 4.757) 19.995 6.735 ( 17.514 -5.475 3.213) 18.629 11.711 ( -7.424 27.589 2.193) 28.655 12.156 ( -4.243 -14.950 3.139) 15.855 14.652 ( -18.343 19.092 3.463) 26.702 14.983 ( -19.751 -13.407 2.764) 24.031 15.893 ( -7.146 23.819 -2.565) 25.000 16.299 ( -5.488 -16.099 -2.001) 17.126 43.609 ( -0.220 -4.829 -2.226) 5.322 43.637 ( -0.084 -7.346 -2.108) 7.643 97.849 ( 0.089 1.118 0.221) 1.143 97.860 ( 0.196 0.043 0.210) 0.291 99.978 ( 0.254 0.571 0.146) 0.642 99.988 ( 0.380 -0.467 0.199) 0.634 ======================= Grid point 504 (272/315) ======================= q-point: (-0.18 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -1.490 9.550 1.854) 9.842 2.737 ( 2.278 -1.297 2.488) 3.614 2.829 ( 1.155 1.150 3.814) 4.148 2.922 ( 3.558 -4.012 3.668) 6.496 3.812 ( 1.382 4.694 -5.380) 7.273 3.854 ( 1.217 0.653 -3.733) 3.980 4.221 ( -12.448 4.140 -2.666) 13.386 4.322 ( -12.408 -5.420 -1.583) 13.633 5.899 ( 3.758 4.523 -4.559) 7.441 5.955 ( 3.509 -0.742 -4.956) 6.118 7.024 ( 18.425 4.643 5.171) 19.692 7.107 ( 17.987 -3.556 3.097) 18.595 11.537 ( -10.363 30.306 2.513) 32.127 12.049 ( -7.276 -18.629 3.783) 20.354 14.357 ( -11.505 17.126 3.125) 20.867 14.634 ( -15.049 -9.832 2.273) 18.119 15.736 ( -7.816 24.525 -0.542) 25.746 16.178 ( -6.028 -18.598 -0.048) 19.550 43.597 ( -0.274 -4.855 -2.364) 5.407 43.629 ( -0.084 -7.690 -2.214) 8.003 97.851 ( 0.072 1.208 0.195) 1.225 97.864 ( 0.140 -0.034 0.182) 0.232 99.983 ( 0.252 0.690 0.182) 0.757 99.996 ( 0.346 -0.574 0.253) 0.717 ======================= Grid point 505 (273/315) ======================= q-point: (-0.09 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -0.678 10.806 2.081) 11.025 2.778 ( 1.283 -9.250 -0.297) 9.343 2.856 ( 0.822 8.193 1.547) 8.378 2.985 ( 2.199 -3.967 0.641) 4.581 3.821 ( 0.711 5.102 -3.970) 6.504 3.862 ( 0.424 0.632 -2.554) 2.665 4.009 ( -7.008 3.358 -2.693) 8.225 4.085 ( -10.548 -4.290 -1.424) 11.476 5.947 ( 2.041 4.062 -2.977) 5.434 5.995 ( 1.656 -0.375 -3.659) 4.034 7.345 ( 11.272 4.932 5.412) 13.442 7.417 ( 11.212 -2.092 2.750) 11.733 11.351 ( -7.786 32.182 2.367) 33.194 11.916 ( -5.999 -21.879 3.758) 22.996 14.221 ( -3.139 14.605 1.393) 15.003 14.420 ( -6.801 -4.562 0.920) 8.241 15.603 ( -5.020 24.916 1.072) 25.439 16.079 ( -3.655 -21.056 1.126) 21.400 43.586 ( -0.157 -4.826 -2.381) 5.384 43.622 ( 0.021 -8.034 -2.246) 8.342 97.852 ( 0.011 1.253 0.193) 1.268 97.866 ( 0.032 -0.070 0.186) 0.201 99.988 ( 0.157 0.765 0.206) 0.807 100.003 ( 0.199 -0.643 0.279) 0.729 ======================= Grid point 572 (274/315) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 0.000 0.000) 0.000 1.408 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 -0.000) 0.000 2.424 ( -0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 3.768 ( -0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.408 ( -0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 -0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 8.611 ( -0.000 0.000 0.000) 0.000 10.260 ( -0.000 0.000 0.000) 0.000 11.660 ( -0.000 0.000 0.000) 0.000 12.138 ( 0.000 0.000 0.000) 0.000 14.877 ( 0.000 0.000 0.000) 0.000 17.368 ( 0.000 0.000 0.000) 0.000 45.576 ( 0.000 0.000 0.000) 0.000 46.054 ( 0.000 0.000 0.000) 0.000 97.623 ( -0.000 0.000 0.000) 0.000 97.727 ( 0.000 0.000 0.000) 0.000 99.915 ( 0.000 0.000 0.000) 0.000 100.006 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 574 (275/315) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 6.246 0.000 -4.011) 7.424 1.601 ( 20.739 0.000 -3.965) 21.114 1.892 ( 5.997 0.000 3.131) 6.765 2.183 ( -9.462 0.000 -1.104) 9.526 2.871 ( 26.565 0.000 2.162) 26.653 3.768 ( 0.242 0.000 -1.337) 1.359 3.792 ( -1.772 0.000 4.721) 5.043 3.999 ( 0.013 0.000 0.946) 0.946 4.315 ( 3.919 0.000 -0.069) 3.920 4.766 ( 20.609 0.000 -5.343) 21.291 6.636 ( 3.040 0.000 4.508) 5.438 7.179 ( -1.301 0.000 -2.135) 2.501 8.503 ( -10.456 0.000 1.752) 10.602 10.254 ( -0.664 0.000 0.333) 0.743 11.665 ( 0.463 0.000 0.484) 0.670 12.125 ( -1.325 0.000 0.275) 1.354 15.099 ( 21.467 0.000 -3.475) 21.747 17.367 ( -0.303 0.000 1.713) 1.740 45.571 ( -0.443 0.000 -0.827) 0.938 46.022 ( -3.073 0.000 -0.034) 3.073 97.622 ( -0.106 0.000 0.042) 0.114 97.724 ( -0.285 0.000 0.182) 0.338 99.914 ( -0.078 0.000 -0.032) 0.084 100.005 ( -0.069 0.000 -0.032) 0.076 ======================= Grid point 575 (276/315) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 9.939 0.000 -4.375) 10.859 1.925 ( 4.463 0.000 -8.305) 9.428 2.055 ( 8.799 0.000 3.368) 9.422 2.232 ( 21.293 0.000 8.133) 22.794 3.423 ( 26.117 0.000 0.133) 26.118 3.696 ( -7.456 0.000 0.422) 7.468 3.772 ( 0.652 0.000 -1.914) 2.023 4.006 ( 0.374 0.000 1.505) 1.551 4.525 ( 15.321 0.000 -5.225) 16.188 5.169 ( 19.943 0.000 0.174) 19.944 6.727 ( 3.826 0.000 7.967) 8.838 7.134 ( -2.326 0.000 -3.691) 4.363 8.241 ( -15.411 0.000 1.497) 15.483 10.235 ( -1.370 0.000 0.471) 1.448 11.683 ( 1.087 0.000 1.003) 1.479 12.088 ( -2.420 0.000 0.347) 2.444 15.624 ( 29.820 0.000 -2.928) 29.963 17.365 ( -0.610 0.000 3.142) 3.201 45.555 ( -0.840 0.000 -1.516) 1.733 45.942 ( -4.681 0.000 0.152) 4.683 97.620 ( -0.003 0.000 -0.008) 0.009 97.717 ( -0.500 0.000 0.278) 0.572 99.912 ( -0.130 0.000 -0.056) 0.141 100.003 ( -0.118 0.000 -0.051) 0.129 ======================= Grid point 576 (277/315) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 10.431 0.000 -2.289) 10.680 1.984 ( 5.760 0.000 1.287) 5.902 2.232 ( 7.800 0.000 1.525) 7.948 2.770 ( 26.041 0.000 5.796) 26.679 3.512 ( -10.251 0.000 -1.610) 10.376 3.785 ( 1.146 0.000 -1.557) 1.933 3.846 ( 16.133 0.000 -5.380) 17.006 4.023 ( 0.893 0.000 1.539) 1.780 4.845 ( 18.333 0.000 -8.769) 20.322 5.539 ( 16.338 0.000 4.740) 17.011 6.813 ( 2.112 0.000 9.624) 9.853 7.072 ( -2.704 0.000 -4.169) 4.969 7.934 ( -14.991 0.000 0.167) 14.992 10.203 ( -1.844 0.000 0.399) 1.887 11.715 ( 1.836 0.000 1.446) 2.337 12.033 ( -3.132 0.000 0.112) 3.134 16.179 ( 25.044 0.000 -1.319) 25.079 17.365 ( -0.076 0.000 3.696) 3.697 45.530 ( -1.128 0.000 -1.863) 2.178 45.849 ( -4.498 0.000 0.497) 4.525 97.622 ( 0.217 0.000 -0.049) 0.222 97.707 ( -0.596 0.000 0.255) 0.648 99.909 ( -0.140 0.000 -0.064) 0.154 100.001 ( -0.130 0.000 -0.053) 0.140 ======================= Grid point 577 (278/315) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 8.311 0.000 -0.064) 8.312 2.171 ( 11.455 0.000 5.810) 12.844 2.356 ( 4.290 0.000 -0.464) 4.315 3.157 ( 2.091 0.000 -0.473) 2.144 3.341 ( 2.407 0.000 1.586) 2.882 3.807 ( 1.291 0.000 -0.795) 1.516 4.047 ( 1.000 0.000 1.155) 1.528 4.059 ( 8.128 0.000 -7.274) 10.907 5.168 ( 15.260 0.000 -7.572) 17.036 5.833 ( 11.551 0.000 5.026) 12.597 6.853 ( -0.691 0.000 8.769) 8.796 7.011 ( -2.168 0.000 -3.303) 3.951 7.675 ( -10.402 0.000 -0.879) 10.440 10.168 ( -1.652 0.000 0.235) 1.669 11.763 ( 2.519 0.000 1.621) 2.995 11.967 ( -3.415 0.000 -0.376) 3.435 16.568 ( 13.954 0.000 -0.494) 13.963 17.389 ( 1.528 0.000 2.885) 3.264 45.503 ( -1.047 0.000 -1.565) 1.883 45.774 ( -3.069 0.000 0.594) 3.126 97.628 ( 0.321 0.000 -0.025) 0.322 97.696 ( -0.521 0.000 0.149) 0.542 99.906 ( -0.106 0.000 -0.051) 0.117 99.998 ( -0.100 0.000 -0.038) 0.107 ======================= Grid point 578 (279/315) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 3.488 0.000 0.530) 3.528 2.402 ( 0.929 0.000 -0.739) 1.187 2.423 ( 10.069 0.000 5.256) 11.358 2.959 ( -10.082 0.000 -4.738) 11.140 3.514 ( 5.273 0.000 2.768) 5.955 3.826 ( 0.608 0.000 -0.208) 0.642 4.064 ( 0.430 0.000 0.439) 0.615 4.156 ( 3.151 0.000 -3.481) 4.695 5.371 ( 5.943 0.000 -3.059) 6.684 6.005 ( 4.359 0.000 1.983) 4.789 6.844 ( -1.308 0.000 3.821) 4.038 6.974 ( -0.828 0.000 -1.261) 1.508 7.535 ( -3.424 0.000 -0.572) 3.472 10.144 ( -0.670 0.000 0.074) 0.674 11.821 ( 2.709 0.000 1.312) 3.010 11.899 ( -3.024 0.000 -0.837) 3.138 16.738 ( 3.843 0.000 -0.091) 3.844 17.428 ( 1.277 0.000 1.024) 1.637 45.484 ( -0.432 0.000 -0.607) 0.745 45.734 ( -1.073 0.000 0.259) 1.103 97.633 ( 0.164 0.000 0.001) 0.164 97.688 ( -0.223 0.000 0.040) 0.226 99.905 ( -0.039 0.000 -0.020) 0.044 99.997 ( -0.038 0.000 -0.014) 0.040 ======================= Grid point 584 (280/315) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 9.288 0.000) 9.288 1.644 ( 0.000 20.588 0.000) 20.588 1.985 ( 0.000 12.320 -0.000) 12.320 2.469 ( -0.000 5.820 0.000) 5.820 2.493 ( 0.000 3.853 0.000) 3.853 3.624 ( 0.000 -8.561 0.000) 8.561 3.972 ( 0.000 18.368 0.000) 18.368 4.029 ( 0.000 -0.542 0.000) 0.542 4.399 ( -0.000 -0.663 0.000) 0.663 4.724 ( 0.000 23.395 0.000) 23.395 6.591 ( 0.000 0.171 0.000) 0.171 7.299 ( 0.000 9.397 0.000) 9.397 8.599 ( -0.000 -0.218 0.000) 0.218 10.473 ( -0.000 19.910 0.000) 19.910 11.815 ( -0.000 14.343 0.000) 14.343 12.301 ( 0.000 15.430 0.000) 15.430 14.842 ( 0.000 -3.288 0.000) 3.288 17.332 ( 0.000 -3.424 0.000) 3.424 45.477 ( 0.000 -9.475 0.000) 9.475 45.898 ( 0.000 -14.801 0.000) 14.801 97.633 ( -0.000 0.997 0.000) 0.997 97.735 ( 0.000 0.782 0.000) 0.782 99.919 ( 0.000 0.390 0.000) 0.390 100.009 ( 0.000 0.262 0.000) 0.262 ======================= Grid point 586 (281/315) ======================= q-point: ( 0.09 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 6.604 7.744 -2.931) 10.591 1.790 ( 14.822 17.243 -3.833) 23.058 2.038 ( 4.520 10.188 1.703) 11.275 2.228 ( -9.225 6.667 -0.276) 11.386 2.878 ( 23.591 1.022 1.856) 23.686 3.630 ( -0.675 -7.849 -0.159) 7.879 3.973 ( -0.216 16.238 2.377) 16.413 4.101 ( 6.089 2.816 -0.563) 6.732 4.399 ( 2.112 6.590 0.562) 6.943 4.888 ( 14.731 13.187 -3.237) 20.034 6.612 ( 1.338 -1.313 3.840) 4.273 7.304 ( 0.619 10.797 -0.577) 10.831 8.497 ( -9.791 0.567 0.686) 9.832 10.467 ( -0.566 19.932 0.029) 19.940 11.820 ( 0.468 14.349 0.658) 14.371 12.298 ( -0.361 16.390 0.103) 16.395 15.056 ( 20.745 -4.025 -3.162) 21.367 17.331 ( -0.384 -3.523 1.508) 3.852 45.472 ( -0.450 -9.474 -0.774) 9.516 45.869 ( -2.782 -14.514 -0.004) 14.778 97.632 ( -0.076 1.022 0.020) 1.025 97.733 ( -0.267 0.798 0.177) 0.860 99.918 ( -0.091 0.379 -0.028) 0.390 100.008 ( -0.089 0.244 -0.032) 0.262 ======================= Grid point 587 (282/315) ======================= q-point: ( 0.18 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 7.537 5.108 -5.720) 10.753 1.982 ( 0.835 5.812 -5.735) 8.208 2.189 ( 9.137 10.863 3.428) 14.602 2.291 ( 19.207 7.604 6.593) 21.684 3.350 ( 20.258 -5.703 0.950) 21.067 3.586 ( -1.941 -5.138 -3.971) 6.778 3.979 ( 0.373 15.789 1.490) 15.863 4.179 ( 1.331 10.558 0.109) 10.642 4.549 ( 12.938 3.522 -4.240) 14.063 5.213 ( 17.015 4.613 0.742) 17.645 6.650 ( 0.741 -4.958 6.210) 7.980 7.325 ( 1.621 14.381 -0.148) 14.473 8.246 ( -14.785 2.469 -0.179) 14.991 10.450 ( -1.161 20.050 0.097) 20.084 11.841 ( 1.516 14.801 0.996) 14.911 12.285 ( -1.066 18.600 0.111) 18.631 15.568 ( 29.313 -5.270 -2.874) 29.922 17.325 ( -0.761 -3.793 2.798) 4.774 45.456 ( -0.839 -9.460 -1.419) 9.603 45.797 ( -4.267 -13.826 0.187) 14.470 97.631 ( 0.025 1.072 -0.023) 1.072 97.726 ( -0.474 0.837 0.273) 1.000 99.916 ( -0.141 0.358 -0.048) 0.388 100.005 ( -0.156 0.190 -0.057) 0.252 ======================= Grid point 588 (283/315) ======================= q-point: ( 0.27 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 7.640 -0.823 -4.399) 8.854 2.036 ( 5.781 6.525 2.687) 9.122 2.355 ( 7.315 10.331 0.919) 12.692 2.767 ( 22.988 0.632 5.701) 23.693 3.416 ( -7.347 -6.496 -1.376) 9.903 3.748 ( 13.236 -5.218 -5.904) 15.404 3.995 ( 0.917 14.100 -0.057) 14.130 4.187 ( 0.003 13.397 0.704) 13.416 4.835 ( 16.549 -0.511 -8.334) 18.536 5.534 ( 14.116 -0.295 4.551) 14.834 6.671 ( -0.304 -8.203 6.989) 10.781 7.366 ( 2.264 18.207 0.915) 18.370 7.937 ( -15.466 4.638 -1.807) 16.247 10.424 ( -1.460 20.410 0.142) 20.462 11.887 ( 2.867 16.219 1.120) 16.508 12.254 ( -2.029 20.855 -0.056) 20.953 16.120 ( 25.242 -5.624 -1.582) 25.909 17.321 ( -0.364 -4.254 3.392) 5.453 45.432 ( -1.101 -9.403 -1.740) 9.626 45.712 ( -4.127 -13.069 0.505) 13.714 97.634 ( 0.224 1.099 -0.051) 1.123 97.716 ( -0.571 0.883 0.252) 1.081 99.913 ( -0.138 0.354 -0.051) 0.383 100.002 ( -0.177 0.107 -0.066) 0.217 ======================= Grid point 589 (284/315) ======================= q-point: ( 0.36 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 9.926 -2.896 -1.495) 10.447 2.183 ( 6.606 5.070 5.657) 10.067 2.481 ( 5.723 8.934 -0.456) 10.620 3.105 ( 1.296 -4.497 -0.468) 4.704 3.288 ( 2.966 -3.460 1.931) 4.950 3.932 ( 6.707 1.473 -2.566) 7.331 4.005 ( 0.832 4.852 -4.198) 6.470 4.193 ( 0.318 12.673 0.528) 12.688 5.118 ( 13.075 -3.867 -7.470) 15.547 5.785 ( 9.549 -4.320 4.818) 11.535 6.690 ( 0.635 -9.199 6.725) 11.413 7.411 ( 1.802 21.953 1.159) 22.057 7.642 ( -13.042 5.441 -2.873) 14.420 10.397 ( -1.198 21.006 0.129) 21.041 11.958 ( 3.906 18.460 1.088) 18.900 12.203 ( -3.038 22.200 -0.329) 22.409 16.516 ( 14.556 -4.886 -0.879) 15.379 17.336 ( 1.129 -4.968 2.797) 5.812 45.406 ( -1.006 -9.301 -1.457) 9.468 45.643 ( -2.828 -12.489 0.578) 12.818 97.639 ( 0.314 1.095 -0.024) 1.140 97.705 ( -0.503 0.922 0.149) 1.061 99.910 ( -0.095 0.371 -0.037) 0.385 99.998 ( -0.141 0.019 -0.052) 0.152 ======================= Grid point 590 (285/315) ======================= q-point: ( 0.45 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 7.482 1.232 -1.079) 7.660 2.271 ( -0.036 -0.839 3.469) 3.569 2.617 ( 8.119 8.509 2.422) 12.007 2.910 ( -11.318 -3.733 -4.828) 12.859 3.455 ( 5.403 -4.839 2.701) 7.740 3.962 ( -0.825 11.780 -0.462) 11.818 4.063 ( 3.728 -7.063 -2.564) 8.388 4.194 ( -0.272 11.661 -0.032) 11.664 5.284 ( 4.715 -6.253 -3.003) 8.387 5.927 ( 3.471 -7.125 1.976) 8.168 6.729 ( 1.246 -9.116 3.399) 9.809 7.419 ( -3.374 35.722 -1.504) 35.912 7.456 ( -1.874 -5.332 0.165) 5.654 10.380 ( -0.456 21.497 0.053) 21.502 12.042 ( 3.967 20.806 0.856) 21.198 12.134 ( -3.595 22.093 -0.580) 22.391 16.695 ( 4.129 -4.033 -0.287) 5.779 17.369 ( 1.110 -5.562 1.045) 5.768 45.388 ( -0.412 -9.216 -0.564) 9.242 45.606 ( -0.991 -12.187 0.248) 12.230 97.644 ( 0.159 1.082 0.001) 1.094 97.698 ( -0.216 0.946 0.042) 0.971 99.909 ( -0.033 0.391 -0.014) 0.392 99.996 ( -0.054 -0.039 -0.020) 0.070 ======================= Grid point 596 (286/315) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 14.632 0.000) 14.632 2.147 ( -0.000 25.921 0.000) 25.921 2.166 ( 0.000 4.191 -0.000) 4.191 2.610 ( -0.000 7.291 0.000) 7.291 2.741 ( 0.000 20.016 0.000) 20.016 3.484 ( 0.000 -5.212 0.000) 5.212 3.980 ( 0.000 -3.642 0.000) 3.642 4.305 ( -0.000 2.055 0.000) 2.055 4.525 ( 0.000 22.712 0.000) 22.712 5.222 ( 0.000 21.877 0.000) 21.877 6.652 ( 0.000 6.771 0.000) 6.771 7.518 ( -0.000 9.453 0.000) 9.453 8.674 ( -0.000 9.897 0.000) 9.897 11.024 ( -0.000 31.664 0.000) 31.664 12.214 ( 0.000 23.464 0.000) 23.464 12.744 ( 0.000 26.532 0.000) 26.532 14.752 ( 0.000 -5.081 0.000) 5.081 17.227 ( 0.000 -6.820 0.000) 6.820 45.196 ( 0.000 -17.405 0.000) 17.405 45.470 ( 0.000 -25.784 0.000) 25.784 97.664 ( 0.000 1.936 0.000) 1.936 97.758 ( 0.000 1.456 0.000) 1.456 99.930 ( 0.000 0.613 0.000) 0.613 100.016 ( -0.000 0.369 0.000) 0.369 ======================= Grid point 598 (287/315) ======================= q-point: ( 0.09 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 3.806 13.171 -2.036) 13.860 2.143 ( -1.795 2.956 -4.520) 5.692 2.230 ( 7.832 22.751 1.460) 24.105 2.533 ( -2.201 18.412 0.942) 18.567 2.938 ( 14.626 5.681 1.824) 15.796 3.505 ( 1.131 -4.397 -1.656) 4.832 4.063 ( 7.942 -3.028 1.104) 8.571 4.344 ( 3.070 8.969 -3.583) 10.135 4.568 ( 4.386 16.709 2.877) 17.513 5.256 ( 3.638 18.904 0.232) 19.252 6.634 ( -2.190 4.472 2.735) 5.681 7.528 ( 0.485 8.045 1.945) 8.291 8.616 ( -5.125 13.619 -1.407) 14.619 11.018 ( -0.517 31.616 -0.533) 31.625 12.221 ( 0.781 23.625 0.656) 23.647 12.770 ( 2.363 28.373 -0.363) 28.474 14.944 ( 18.757 -6.450 -2.456) 19.986 17.223 ( -0.523 -6.911 0.955) 6.996 45.191 ( -0.453 -17.387 -0.628) 17.404 45.449 ( -2.051 -25.343 0.072) 25.426 97.663 ( -0.020 1.962 -0.013) 1.962 97.756 ( -0.228 1.475 0.165) 1.501 99.928 ( -0.112 0.604 -0.021) 0.615 100.014 ( -0.139 0.340 -0.036) 0.369 ======================= Grid point 599 (288/315) ======================= q-point: ( 0.18 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.753 7.614 -6.904) 10.305 2.123 ( 2.335 6.896 -1.378) 7.410 2.445 ( 11.397 15.251 3.250) 19.314 2.585 ( 7.138 17.958 3.324) 19.609 3.227 ( 10.906 -5.776 1.441) 12.424 3.512 ( 2.071 -2.139 -5.220) 6.009 4.256 ( 9.668 0.909 0.917) 9.753 4.373 ( 1.026 16.320 -3.682) 16.761 4.702 ( 7.769 10.400 0.739) 13.002 5.372 ( 7.493 10.395 1.863) 12.949 6.584 ( -3.759 -0.700 4.748) 6.096 7.529 ( -1.705 2.257 3.844) 4.773 8.497 ( -5.405 24.450 -3.101) 25.232 11.001 ( -0.983 31.503 -0.643) 31.525 12.259 ( 3.161 24.902 0.454) 25.106 12.819 ( 2.340 32.125 -0.390) 32.213 15.418 ( 27.836 -8.800 -2.771) 29.325 17.211 ( -1.043 -7.166 1.893) 7.485 45.176 ( -0.812 -17.320 -1.151) 17.378 45.396 ( -3.193 -24.254 0.271) 24.465 97.663 ( 0.073 2.006 -0.043) 2.008 97.751 ( -0.415 1.523 0.256) 1.599 99.926 ( -0.157 0.592 -0.029) 0.613 100.010 ( -0.250 0.257 -0.074) 0.366 ======================= Grid point 600 (289/315) ======================= q-point: ( 0.27 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 3.564 2.438 -6.279) 7.620 2.221 ( 6.399 9.915 2.694) 12.104 2.604 ( 4.607 13.143 1.141) 13.973 2.836 ( 13.948 6.421 4.181) 15.914 3.281 ( -3.483 -6.545 0.156) 7.416 3.629 ( 9.514 -5.247 -6.396) 12.608 4.352 ( -0.547 19.314 0.019) 19.322 4.434 ( 5.635 7.302 0.191) 9.225 4.870 ( 9.921 5.211 -5.644) 12.547 5.538 ( 7.602 1.112 4.133) 8.724 6.522 ( -3.496 -5.918 6.050) 9.156 7.468 ( -5.435 -6.333 3.687) 9.123 8.409 ( -2.377 38.212 -3.411) 38.437 10.978 ( -1.106 31.375 -0.462) 31.397 12.351 ( 5.939 27.810 -0.047) 28.437 12.849 ( 0.509 35.477 -0.307) 35.482 15.958 ( 25.608 -9.687 -2.281) 27.474 17.196 ( -0.997 -7.678 2.603) 8.168 45.154 ( -1.006 -17.172 -1.401) 17.258 45.332 ( -3.135 -23.012 0.518) 23.231 97.666 ( 0.226 2.018 -0.048) 2.032 97.742 ( -0.511 1.586 0.241) 1.683 99.923 ( -0.128 0.598 -0.018) 0.612 100.004 ( -0.295 0.132 -0.099) 0.338 ======================= Grid point 601 (290/315) ======================= q-point: ( 0.36 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 9.790 0.153 -3.577) 10.424 2.359 ( 5.293 10.326 5.735) 12.943 2.656 ( 0.934 7.272 -1.127) 7.418 3.005 ( -1.439 -4.346 -1.311) 4.762 3.251 ( 4.292 0.508 2.921) 5.217 3.785 ( 7.327 -8.280 -5.444) 12.324 4.325 ( -1.696 18.862 -0.319) 18.941 4.506 ( 1.457 15.482 1.813) 15.656 5.051 ( 9.357 -1.546 -7.384) 12.020 5.672 ( 4.438 -6.102 4.553) 8.812 6.491 ( -1.143 -9.805 5.950) 11.526 7.351 ( -6.440 -11.166 1.462) 12.973 8.377 ( -0.390 47.587 -2.123) 47.636 10.957 ( -0.824 31.234 -0.238) 31.246 12.487 ( 7.501 31.639 -0.349) 32.518 12.832 ( -2.216 37.306 -0.109) 37.372 16.374 ( 16.155 -8.632 -1.936) 18.419 17.192 ( 0.070 -8.682 2.597) 9.062 45.131 ( -0.879 -16.959 -1.162) 17.021 45.280 ( -2.172 -22.028 0.532) 22.141 97.672 ( 0.289 1.992 -0.019) 2.013 97.732 ( -0.458 1.645 0.149) 1.714 99.921 ( -0.068 0.628 -0.001) 0.632 99.999 ( -0.245 -0.001 -0.089) 0.260 ======================= Grid point 602 (291/315) ======================= q-point: ( 0.45 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 10.498 0.664 -1.895) 10.689 2.394 ( -4.009 8.668 3.660) 10.228 2.684 ( 2.942 -1.699 1.216) 3.609 2.883 ( -6.045 1.117 -3.610) 7.129 3.372 ( 3.917 -1.551 2.035) 4.679 3.876 ( 2.669 -8.654 -2.437) 9.379 4.298 ( -0.709 18.310 0.033) 18.324 4.518 ( -0.158 18.445 0.628) 18.456 5.171 ( 3.699 -4.174 -3.198) 6.429 5.737 ( 1.248 -10.728 2.090) 11.000 6.501 ( 0.313 -12.131 2.729) 12.438 7.251 ( -3.030 -11.753 0.014) 12.138 8.371 ( 0.031 51.444 -0.654) 51.448 10.945 ( -0.299 31.118 -0.070) 31.119 12.633 ( 6.902 35.139 -0.354) 35.812 12.761 ( -4.851 37.162 0.156) 37.477 16.578 ( 4.997 -7.062 -0.865) 8.695 17.208 ( 0.565 -9.785 1.153) 9.869 45.116 ( -0.353 -16.795 -0.446) 16.804 45.251 ( -0.765 -21.505 0.220) 21.520 97.676 ( 0.145 1.961 0.001) 1.966 97.726 ( -0.199 1.682 0.045) 1.694 99.920 ( -0.019 0.659 0.003) 0.659 99.995 ( -0.096 -0.090 -0.037) 0.137 ======================= Grid point 608 (292/315) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 0.000 15.860 0.000) 15.860 2.218 ( -0.000 2.194 0.000) 2.194 2.641 ( 0.000 20.100 -0.000) 20.100 2.786 ( 0.000 10.102 0.000) 10.102 3.192 ( 0.000 21.666 0.000) 21.666 3.401 ( -0.000 -2.725 0.000) 2.725 3.894 ( 0.000 -4.356 0.000) 4.356 4.262 ( -0.000 -3.678 0.000) 3.678 5.063 ( -0.000 25.840 0.000) 25.840 5.572 ( 0.000 12.344 0.000) 12.344 6.877 ( -0.000 14.056 0.000) 14.056 7.617 ( 0.000 0.223 -0.000) 0.223 9.068 ( -0.000 27.896 0.000) 27.896 11.689 ( -0.000 30.512 0.000) 30.512 12.747 ( 0.000 27.482 0.000) 27.482 13.344 ( 0.000 30.186 0.000) 30.186 14.661 ( 0.000 -2.634 0.000) 2.634 17.051 ( 0.000 -10.258 0.000) 10.258 44.781 ( 0.000 -22.297 0.000) 22.297 44.879 ( 0.000 -30.341 0.000) 30.341 97.711 ( 0.000 2.585 0.000) 2.585 97.793 ( 0.000 1.817 0.000) 1.817 99.943 ( 0.000 0.703 0.000) 0.703 100.022 ( -0.000 0.251 0.000) 0.251 ======================= Grid point 610 (293/315) ======================= q-point: ( 0.09 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.178 13.802 -0.939) 13.835 2.206 ( 0.683 4.622 -1.783) 5.001 2.690 ( 4.005 20.306 -0.835) 20.714 2.823 ( 4.321 8.808 -0.796) 9.843 3.152 ( -2.576 13.577 4.371) 14.494 3.453 ( 3.511 0.318 -3.366) 4.875 3.985 ( 8.637 -4.084 0.974) 9.603 4.364 ( 9.721 -2.659 -1.910) 10.257 5.046 ( -1.808 24.447 1.571) 24.565 5.576 ( 0.169 11.648 1.572) 11.754 6.809 ( -6.659 11.828 1.438) 13.649 7.581 ( -4.218 -2.077 2.287) 5.229 9.096 ( 3.135 31.565 -1.663) 31.764 11.684 ( -0.459 30.670 -0.980) 30.689 12.758 ( 1.617 27.779 -0.015) 27.826 13.417 ( 6.613 33.025 -0.939) 33.693 14.815 ( 15.365 -5.138 -1.722) 16.292 17.047 ( -0.447 -10.155 0.234) 10.167 44.776 ( -0.407 -22.241 -0.419) 22.249 44.868 ( -1.159 -29.892 0.154) 29.914 97.711 ( 0.012 2.593 -0.020) 2.593 97.791 ( -0.193 1.831 0.144) 1.846 99.942 ( -0.121 0.701 -0.016) 0.712 100.020 ( -0.198 0.225 -0.043) 0.302 ======================= Grid point 611 (294/315) ======================= q-point: ( 0.18 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -4.347 9.581 -4.331) 11.377 2.284 ( 6.287 9.263 -1.311) 11.272 2.786 ( 5.904 16.135 -0.835) 17.202 2.934 ( 5.318 13.344 3.536) 14.794 3.132 ( -0.837 -2.024 2.582) 3.386 3.503 ( 3.014 1.705 -4.216) 5.455 4.207 ( 12.821 -3.586 -0.176) 13.314 4.580 ( 11.030 2.256 -3.536) 11.800 5.014 ( -1.569 19.512 3.459) 19.878 5.588 ( 0.463 9.267 2.659) 9.652 6.641 ( -10.196 6.218 2.621) 12.226 7.459 ( -8.602 -6.811 3.434) 11.497 9.182 ( 5.809 39.068 -2.302) 39.564 11.665 ( -1.108 30.771 -1.341) 30.820 12.830 ( 5.989 29.601 -0.949) 30.215 13.557 ( 6.783 38.074 -0.891) 38.684 15.225 ( 25.196 -9.382 -2.722) 27.024 17.034 ( -0.991 -9.905 0.738) 9.982 44.763 ( -0.696 -22.070 -0.767) 22.094 44.838 ( -1.833 -28.757 0.352) 28.817 97.712 ( 0.085 2.596 -0.034) 2.598 97.786 ( -0.354 1.870 0.226) 1.916 99.939 ( -0.160 0.699 -0.010) 0.718 100.015 ( -0.357 0.149 -0.094) 0.398 ======================= Grid point 612 (295/315) ======================= q-point: ( 0.27 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.652 8.397 -5.590) 10.108 2.414 ( 6.727 8.828 1.289) 11.174 2.877 ( 1.138 12.494 0.156) 12.547 2.991 ( -1.330 5.804 1.843) 6.233 3.165 ( 5.302 -2.769 1.208) 6.102 3.565 ( 4.364 -0.456 -3.162) 5.408 4.469 ( 12.931 -1.791 0.231) 13.056 4.722 ( 3.808 13.309 -4.276) 14.488 5.030 ( 2.642 9.839 2.203) 10.423 5.598 ( -0.730 4.673 3.424) 5.839 6.446 ( -9.578 -1.000 3.713) 10.321 7.277 ( -10.061 -10.674 2.875) 14.948 9.298 ( 6.005 45.519 -1.814) 45.949 11.635 ( -1.493 30.399 -1.216) 30.459 12.990 ( 10.245 33.084 -1.895) 34.686 13.659 ( 3.321 41.655 -0.434) 41.790 15.737 ( 25.670 -11.290 -3.218) 28.227 17.013 ( -1.362 -9.783 1.598) 10.006 44.746 ( -0.803 -21.786 -0.931) 21.821 44.801 ( -1.830 -27.412 0.518) 27.478 97.714 ( 0.191 2.564 -0.027) 2.571 97.779 ( -0.441 1.928 0.220) 1.990 99.936 ( -0.114 0.705 0.019) 0.715 100.006 ( -0.427 0.041 -0.135) 0.450 ======================= Grid point 613 (296/315) ======================= q-point: ( 0.36 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 8.221 6.131 -4.794) 11.321 2.557 ( 6.641 7.887 5.288) 11.588 2.768 ( -10.635 3.417 1.024) 11.217 2.960 ( -1.847 0.761 -4.479) 4.904 3.307 ( 7.172 4.234 1.339) 8.435 3.654 ( 4.889 -3.569 -1.354) 6.203 4.661 ( 3.369 7.274 -0.747) 8.051 4.776 ( 5.643 14.600 2.108) 15.794 5.098 ( 3.655 5.590 -5.041) 8.368 5.565 ( -3.675 -3.014 4.443) 6.506 6.309 ( -4.908 -7.215 3.863) 9.543 7.099 ( -7.924 -12.707 1.437) 15.044 9.397 ( 4.118 49.651 -1.023) 49.832 11.603 ( -1.287 29.682 -0.849) 29.722 13.209 ( 11.906 37.127 -2.190) 39.050 13.678 ( -1.468 43.185 0.262) 43.211 16.174 ( 18.243 -10.425 -3.387) 21.283 16.993 ( -1.149 -10.326 2.367) 10.656 44.728 ( -0.662 -21.455 -0.758) 21.479 44.771 ( -1.283 -26.306 0.467) 26.341 97.719 ( 0.235 2.502 -0.006) 2.513 97.771 ( -0.401 1.989 0.144) 2.034 99.935 ( -0.040 0.723 0.042) 0.725 99.998 ( -0.360 -0.073 -0.131) 0.390 ======================= Grid point 614 (297/315) ======================= q-point: ( 0.45 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 12.694 4.666 -3.135) 13.883 2.513 ( -13.522 1.541 2.496) 13.836 2.707 ( 5.553 5.722 5.080) 9.454 2.880 ( -4.099 -0.600 -5.655) 7.010 3.420 ( 3.229 5.212 0.515) 6.153 3.728 ( 2.223 -5.304 -0.350) 5.762 4.661 ( -0.623 14.694 -0.566) 14.718 4.901 ( 3.455 17.283 3.669) 18.002 5.134 ( 1.568 1.847 -6.000) 6.471 5.502 ( -2.669 -11.458 3.142) 12.177 6.265 ( -0.921 -10.034 1.716) 10.222 6.988 ( -3.065 -13.354 0.310) 13.704 9.451 ( 1.429 51.661 -0.323) 51.681 11.583 ( -0.510 29.112 -0.310) 29.118 13.428 ( 10.035 40.449 -1.783) 41.714 13.602 ( -6.111 42.926 1.045) 43.371 16.416 ( 6.450 -8.422 -1.769) 10.755 16.983 ( -0.382 -11.557 1.415) 11.650 44.717 ( -0.257 -21.221 -0.283) 21.225 44.755 ( -0.456 -25.705 0.179) 25.709 97.723 ( 0.119 2.451 0.003) 2.453 97.765 ( -0.176 2.032 0.047) 2.040 99.935 ( -0.003 0.744 0.024) 0.744 99.992 ( -0.144 -0.150 -0.057) 0.216 ======================= Grid point 620 (298/315) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.000 4.637 0.000) 4.637 2.377 ( 0.000 14.513 0.000) 14.513 2.893 ( -0.000 6.229 0.000) 6.229 3.021 ( 0.000 7.978 -0.000) 7.978 3.404 ( 0.000 4.740 -0.000) 4.740 3.584 ( -0.000 15.672 0.000) 15.672 3.816 ( 0.000 -2.690 0.000) 2.690 4.172 ( -0.000 -4.949 0.000) 4.949 5.538 ( -0.000 19.493 0.000) 19.493 5.764 ( 0.000 7.049 0.000) 7.049 7.177 ( -0.000 13.869 0.000) 13.869 7.575 ( 0.000 -2.943 -0.000) 2.943 9.759 ( -0.000 37.397 0.000) 37.397 12.178 ( -0.000 14.617 0.000) 14.617 13.318 ( 0.000 27.169 0.000) 27.169 13.918 ( 0.000 23.577 0.000) 23.577 14.710 ( 0.000 9.313 0.000) 9.313 16.802 ( 0.000 -13.910 0.000) 13.910 44.271 ( 0.000 -27.460 0.000) 27.460 44.307 ( 0.000 -22.827 0.000) 22.827 97.766 ( 0.000 2.703 0.000) 2.703 97.830 ( 0.000 1.678 0.000) 1.678 99.958 ( 0.000 0.766 0.000) 0.766 100.025 ( -0.000 -0.050 0.000) 0.050 ======================= Grid point 622 (299/315) ======================= q-point: ( 0.09 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -2.473 6.070 0.509) 6.574 2.414 ( 3.825 13.566 -1.518) 14.176 2.930 ( 2.992 3.342 0.776) 4.552 3.020 ( 0.936 8.383 -5.276) 9.949 3.353 ( -4.854 7.833 5.373) 10.668 3.592 ( 0.709 11.149 -1.737) 11.306 3.913 ( 8.766 -2.411 1.099) 9.158 4.284 ( 10.563 -4.849 -0.272) 11.626 5.501 ( -3.531 18.918 0.404) 19.249 5.758 ( -0.956 6.739 2.064) 7.113 7.072 ( -10.057 12.517 0.460) 16.064 7.501 ( -7.529 -4.407 1.809) 8.909 9.839 ( 7.727 38.893 -1.284) 39.674 12.184 ( 0.590 15.749 -1.368) 15.819 13.337 ( 2.764 27.599 -1.160) 27.761 14.060 ( 12.967 26.867 -1.434) 29.867 14.791 ( 8.564 5.058 -1.054) 10.002 16.804 ( 0.210 -13.420 -0.412) 13.428 44.267 ( -0.371 -27.115 0.263) 27.118 44.304 ( -0.261 -22.724 -0.247) 22.727 97.766 ( 0.004 2.694 -0.002) 2.694 97.828 ( -0.165 1.689 0.117) 1.701 99.957 ( -0.126 0.761 -0.012) 0.772 100.022 ( -0.239 -0.063 -0.046) 0.252 ======================= Grid point 623 (300/315) ======================= q-point: ( 0.18 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -3.212 9.287 -0.435) 9.836 2.501 ( 5.022 11.229 -2.890) 12.636 2.989 ( 2.125 -3.040 0.347) 3.725 3.037 ( 2.013 6.374 -5.930) 8.936 3.277 ( -3.646 12.307 7.239) 14.736 3.599 ( 0.395 7.055 -0.701) 7.101 4.139 ( 13.159 -2.589 0.772) 13.433 4.543 ( 14.329 -4.572 -0.703) 15.057 5.412 ( -5.424 17.609 1.773) 18.510 5.738 ( -1.760 5.559 3.117) 6.612 6.810 ( -15.682 9.111 0.573) 18.145 7.304 ( -12.253 -7.397 2.625) 14.552 10.027 ( 10.671 41.633 -1.534) 43.006 12.183 ( -0.393 17.706 -1.951) 17.818 13.446 ( 8.991 29.315 -2.725) 30.784 14.334 ( 12.748 35.659 -1.397) 37.895 15.061 ( 19.337 -5.484 -2.633) 20.271 16.806 ( 0.005 -12.166 -0.295) 12.169 44.259 ( -0.584 -26.229 0.447) 26.239 44.296 ( -0.431 -22.426 -0.408) 22.434 97.767 ( 0.045 2.659 -0.000) 2.659 97.824 ( -0.301 1.721 0.186) 1.757 99.954 ( -0.170 0.746 0.002) 0.765 100.015 ( -0.430 -0.098 -0.100) 0.453 ======================= Grid point 624 (301/315) ======================= q-point: ( 0.27 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.520 11.111 -2.896) 11.494 2.590 ( 4.398 8.127 -0.507) 9.254 2.962 ( -5.701 -4.890 2.171) 7.818 3.056 ( 1.158 3.943 -7.866) 8.875 3.286 ( 3.251 11.183 4.659) 12.544 3.613 ( 1.081 4.556 2.090) 5.128 4.418 ( 14.131 -2.388 1.261) 14.387 4.805 ( 11.978 -3.220 -3.030) 12.767 5.311 ( -5.155 15.524 3.876) 16.810 5.699 ( -3.417 4.332 3.279) 6.418 6.486 ( -16.177 4.438 0.618) 16.786 7.058 ( -12.546 -10.102 2.181) 16.254 10.226 ( 9.237 43.571 -0.989) 44.550 12.158 ( -1.574 18.805 -1.898) 18.966 13.672 ( 14.268 32.136 -3.834) 35.369 14.513 ( 5.478 40.147 -0.401) 40.521 15.509 ( 24.958 -10.597 -4.241) 27.445 16.800 ( -0.719 -10.772 0.664) 10.817 44.248 ( -0.584 -25.147 0.504) 25.159 44.286 ( -0.461 -21.998 -0.446) 22.007 97.768 ( 0.113 2.587 0.008) 2.590 97.818 ( -0.373 1.774 0.187) 1.822 99.951 ( -0.124 0.719 0.041) 0.730 100.005 ( -0.512 -0.141 -0.148) 0.551 ======================= Grid point 625 (302/315) ======================= q-point: ( 0.36 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 4.810 9.086 -4.071) 11.057 2.663 ( 1.294 2.270 2.156) 3.387 2.814 ( -8.126 2.322 4.668) 9.655 3.022 ( -2.003 3.525 -8.927) 9.805 3.406 ( 7.177 5.548 0.201) 9.074 3.648 ( 1.155 2.345 4.151) 4.906 4.677 ( 10.509 -1.835 1.888) 10.834 4.993 ( 8.630 -0.162 -6.151) 10.599 5.245 ( -2.542 11.647 5.933) 13.316 5.595 ( -8.444 4.863 2.383) 10.031 6.219 ( -9.835 -1.172 0.848) 9.941 6.842 ( -9.228 -11.933 1.169) 15.130 10.376 ( 5.887 44.500 -0.416) 44.889 12.118 ( -1.736 18.988 -1.420) 19.120 13.966 ( 15.635 35.112 -3.875) 38.631 14.554 ( -1.311 40.500 0.693) 40.527 15.959 ( 20.294 -10.073 -4.889) 23.178 16.780 ( -1.709 -10.128 2.097) 10.483 44.239 ( -0.412 -24.226 0.406) 24.233 44.276 ( -0.350 -21.563 -0.351) 21.569 97.771 ( 0.151 2.495 0.014) 2.500 97.811 ( -0.338 1.838 0.131) 1.873 99.950 ( -0.043 0.688 0.070) 0.693 99.995 ( -0.432 -0.180 -0.152) 0.492 ======================= Grid point 626 (303/315) ======================= q-point: ( 0.45 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 9.159 3.738 -3.095) 10.365 2.540 ( -10.599 1.691 1.528) 10.842 2.795 ( 1.717 2.936 5.831) 6.751 2.951 ( -2.235 6.819 -6.397) 9.613 3.534 ( 4.754 4.930 -1.548) 7.021 3.665 ( -0.540 -0.765 3.007) 3.150 4.813 ( 2.830 0.861 0.716) 3.043 5.153 ( 9.697 -1.934 -6.867) 12.038 5.238 ( -0.227 9.070 6.894) 11.395 5.389 ( -11.436 7.083 0.621) 13.466 6.109 ( -2.201 -4.720 0.568) 5.239 6.714 ( -3.478 -12.918 0.301) 13.381 10.454 ( 2.002 44.854 -0.099) 44.899 12.089 ( -0.746 18.853 -0.538) 18.875 14.241 ( 11.979 37.105 -2.829) 39.093 14.472 ( -6.692 40.200 1.654) 40.787 16.243 ( 8.313 -8.104 -2.817) 11.947 16.749 ( -1.497 -10.772 1.774) 11.019 44.234 ( -0.146 -23.713 0.158) 23.714 44.271 ( -0.131 -21.282 -0.135) 21.282 97.774 ( 0.081 2.425 0.008) 2.427 97.806 ( -0.149 1.886 0.046) 1.892 99.949 ( 0.000 0.672 0.039) 0.673 99.989 ( -0.175 -0.206 -0.070) 0.279 ======================= Grid point 632 (304/315) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.000 7.531 0.000) 7.531 2.655 ( 0.000 12.180 0.000) 12.180 2.924 ( -0.000 -3.718 0.000) 3.718 3.069 ( 0.000 -0.760 -0.000) 0.760 3.583 ( 0.000 9.986 0.000) 9.986 3.803 ( 0.000 1.658 0.000) 1.658 3.821 ( -0.000 7.225 0.000) 7.225 4.061 ( -0.000 -5.724 0.000) 5.724 5.846 ( -0.000 10.126 -0.000) 10.126 5.881 ( 0.000 4.528 0.000) 4.528 7.416 ( -0.000 8.853 0.000) 8.853 7.535 ( 0.000 -0.506 -0.000) 0.506 10.552 ( -0.000 38.362 0.000) 38.362 12.245 ( -0.000 -7.820 0.000) 7.820 13.837 ( 0.000 22.429 0.000) 22.429 14.268 ( 0.000 10.649 0.000) 10.649 15.064 ( -0.000 23.148 0.000) 23.148 16.475 ( 0.000 -17.910 0.000) 17.910 43.793 ( 0.000 -18.010 0.000) 18.010 43.876 ( 0.000 -18.137 0.000) 18.137 97.818 ( 0.000 2.221 0.000) 2.221 97.858 ( -0.000 1.000 0.000) 1.000 99.975 ( 0.000 0.828 0.000) 0.828 100.020 ( -0.000 -0.413 0.000) 0.413 ======================= Grid point 634 (305/315) ======================= q-point: ( 0.09 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -0.821 7.880 1.338) 8.035 2.676 ( 2.005 11.066 -0.927) 11.284 2.926 ( -0.052 -3.684 0.036) 3.685 3.075 ( 1.124 -0.568 -4.584) 4.753 3.562 ( -2.378 10.761 3.304) 11.505 3.768 ( -1.744 4.723 1.327) 5.207 3.910 ( 7.344 2.396 0.402) 7.735 4.172 ( 10.132 -5.790 0.871) 11.702 5.800 ( -3.826 9.693 -0.845) 10.456 5.874 ( -1.550 4.848 2.665) 5.745 7.291 ( -11.916 8.200 -0.102) 14.465 7.434 ( -10.008 -1.703 1.749) 10.301 10.648 ( 9.099 38.556 -1.352) 39.639 12.284 ( 3.605 -5.986 -1.719) 7.196 13.867 ( 4.019 23.118 -2.138) 23.562 14.417 ( 14.547 7.927 -1.855) 16.670 15.102 ( 3.713 23.501 -0.620) 23.800 16.491 ( 1.673 -17.005 -0.769) 17.105 43.795 ( 0.152 -17.839 0.260) 17.842 43.875 ( -0.037 -17.999 -0.032) 17.999 97.818 ( -0.029 2.203 0.022) 2.204 97.857 ( -0.139 1.012 0.088) 1.025 99.973 ( -0.145 0.814 -0.012) 0.827 100.017 ( -0.248 -0.408 -0.040) 0.480 ======================= Grid point 635 (306/315) ======================= q-point: ( 0.18 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -0.789 9.172 2.024) 9.426 2.713 ( 1.803 8.119 -2.422) 8.662 2.912 ( -1.356 -3.514 -0.076) 3.767 3.083 ( 1.140 -0.688 -7.282) 7.403 3.526 ( -2.118 10.886 5.725) 12.480 3.733 ( -2.082 4.764 2.142) 5.623 4.117 ( 12.666 0.765 1.479) 12.775 4.421 ( 13.625 -6.712 1.129) 15.231 5.704 ( -5.615 10.269 0.617) 11.720 5.833 ( -3.257 3.794 3.198) 5.935 6.980 ( -18.379 6.743 -0.457) 19.582 7.179 ( -15.291 -4.415 2.191) 16.066 10.861 ( 11.576 38.489 -1.557) 40.223 12.347 ( 2.676 -2.120 -2.370) 4.156 14.009 ( 11.309 24.647 -4.136) 27.432 14.802 ( 24.086 2.311 -3.894) 24.508 15.191 ( 4.911 24.457 -0.678) 24.954 16.530 ( 2.261 -14.735 -0.879) 14.933 43.800 ( 0.257 -17.389 0.435) 17.396 43.874 ( -0.038 -17.627 -0.046) 17.627 97.817 ( -0.029 2.149 0.040) 2.149 97.854 ( -0.248 1.047 0.144) 1.086 99.970 ( -0.214 0.769 -0.001) 0.798 100.010 ( -0.439 -0.389 -0.085) 0.593 ======================= Grid point 636 (307/315) ======================= q-point: ( 0.27 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -0.772 10.329 -0.023) 10.357 2.724 ( -0.775 3.263 -0.060) 3.354 2.883 ( -0.909 -1.077 -0.424) 1.472 3.075 ( 0.490 -1.213 -9.172) 9.264 3.514 ( -0.616 9.901 5.263) 11.230 3.709 ( -1.099 3.737 4.240) 5.758 4.391 ( 13.608 0.019 2.283) 13.798 4.683 ( 11.859 -7.411 0.076) 13.984 5.591 ( -5.841 10.801 2.325) 12.497 5.769 ( -4.069 2.516 3.419) 5.880 6.595 ( -19.215 5.346 -1.098) 19.975 6.876 ( -14.938 -7.258 1.431) 16.670 11.067 ( 9.108 37.469 -0.967) 38.573 12.368 ( 0.115 1.153 -2.213) 2.498 14.283 ( 17.006 26.539 -5.311) 31.965 15.272 ( 2.820 26.745 -0.020) 26.893 15.306 ( 26.658 -3.393 -5.516) 27.433 16.567 ( 1.277 -12.126 0.046) 12.193 43.807 ( 0.279 -16.818 0.469) 16.827 43.874 ( -0.008 -17.135 -0.039) 17.135 97.817 ( 0.006 2.058 0.046) 2.059 97.848 ( -0.300 1.107 0.150) 1.157 99.966 ( -0.188 0.689 0.031) 0.715 100.000 ( -0.511 -0.350 -0.125) 0.631 ======================= Grid point 637 (308/315) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.252 8.162 -2.384) 8.507 2.662 ( -5.489 -1.806 1.274) 5.917 2.889 ( 0.726 4.620 2.350) 5.234 3.064 ( 1.203 0.547 -9.158) 9.253 3.538 ( 2.216 6.754 2.272) 7.463 3.706 ( -0.974 2.297 5.235) 5.799 4.641 ( 10.360 -1.023 2.379) 10.679 4.876 ( 7.625 -7.798 -1.379) 10.993 5.499 ( -3.873 10.686 3.774) 11.977 5.684 ( -5.624 2.921 2.508) 6.816 6.254 ( -13.608 3.865 -1.561) 14.232 6.619 ( -10.748 -9.444 0.457) 14.315 11.209 ( 5.399 35.983 -0.389) 36.388 12.350 ( -1.077 3.068 -1.619) 3.633 14.622 ( 17.706 28.013 -5.067) 33.525 15.286 ( -1.772 27.725 1.005) 27.799 15.781 ( 21.728 -5.295 -5.942) 23.139 16.573 ( -1.008 -10.249 1.715) 10.440 43.813 ( 0.212 -16.312 0.354) 16.318 43.874 ( 0.016 -16.677 -0.022) 16.677 97.818 ( 0.046 1.950 0.037) 1.951 97.843 ( -0.266 1.183 0.110) 1.217 99.963 ( -0.102 0.595 0.060) 0.606 99.990 ( -0.424 -0.295 -0.131) 0.533 ======================= Grid point 638 (309/315) ======================= q-point: ( 0.45 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 1.977 3.142 -1.675) 4.073 2.548 ( -4.784 -1.131 0.617) 4.955 2.903 ( 0.070 7.100 1.704) 7.302 3.071 ( 0.920 4.050 -3.511) 5.438 3.610 ( 4.466 2.849 -1.541) 5.517 3.681 ( -3.045 1.408 4.186) 5.365 4.792 ( 3.860 -1.569 1.129) 4.317 4.976 ( 2.804 -8.961 -1.202) 9.466 5.472 ( 0.220 9.734 3.592) 10.378 5.565 ( -5.444 6.499 -0.667) 8.504 6.078 ( -3.916 1.639 -0.600) 4.288 6.469 ( -4.044 -10.624 -0.007) 11.368 11.280 ( 1.776 34.965 -0.087) 35.010 12.328 ( -0.591 3.919 -0.610) 4.010 14.919 ( 11.826 28.045 -3.263) 30.611 15.207 ( -5.778 29.583 1.775) 30.194 16.093 ( 9.696 -5.839 -3.504) 11.848 16.541 ( -2.123 -9.758 1.917) 10.169 43.816 ( 0.079 -16.020 0.131) 16.021 43.874 ( 0.011 -16.400 -0.007) 16.400 97.819 ( 0.034 1.868 0.014) 1.869 97.839 ( -0.115 1.243 0.040) 1.248 99.962 ( -0.023 0.527 0.037) 0.529 99.984 ( -0.171 -0.252 -0.063) 0.311 ======================= Grid point 644 (310/315) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -0.000 9.583 0.000) 9.583 2.779 ( 0.000 -9.109 -0.000) 9.109 2.873 ( -0.000 8.828 0.000) 8.828 3.014 ( 0.000 -4.780 -0.000) 4.780 3.762 ( 0.000 7.356 0.000) 7.356 3.872 ( 0.000 4.116 0.000) 4.116 3.877 ( -0.000 -2.268 0.000) 2.268 3.949 ( -0.000 -4.264 0.000) 4.264 5.953 ( -0.000 2.335 -0.000) 2.335 5.964 ( 0.000 1.912 0.000) 1.912 7.534 ( -0.000 2.744 0.000) 2.744 7.546 ( 0.000 0.830 -0.000) 0.830 11.302 ( -0.000 33.579 0.000) 33.579 11.904 ( -0.000 -23.941 0.000) 23.941 14.213 ( 0.000 13.338 0.000) 13.338 14.366 ( 0.000 -1.319 0.000) 1.319 15.575 ( -0.000 24.998 0.000) 24.998 16.063 ( 0.000 -22.009 0.000) 22.009 43.554 ( 0.000 -4.791 0.000) 4.791 43.595 ( 0.000 -8.360 0.000) 8.360 97.855 ( 0.000 1.256 0.000) 1.256 97.868 ( -0.000 -0.073 0.000) 0.073 99.992 ( 0.000 0.832 0.000) 0.832 100.008 ( -0.000 -0.699 0.000) 0.699 ======================= Grid point 646 (311/315) ======================= q-point: ( 0.09 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -0.775 9.290 1.775) 9.490 2.754 ( -1.888 -6.911 2.163) 7.484 2.910 ( 2.960 6.339 -3.339) 7.752 3.028 ( 1.471 -4.101 -3.473) 5.572 3.746 ( -2.301 6.455 2.331) 7.239 3.812 ( -2.167 -0.074 1.881) 2.871 3.973 ( 6.830 3.112 0.734) 7.542 4.056 ( 9.251 -5.128 1.282) 10.655 5.921 ( -2.963 3.144 -0.013) 4.320 5.944 ( -2.345 1.168 1.507) 3.022 7.403 ( -12.514 2.810 0.016) 12.826 7.424 ( -11.902 0.076 1.470) 11.992 11.394 ( 8.604 32.989 -1.624) 34.131 11.976 ( 6.738 -22.662 -1.805) 23.711 14.262 ( 5.748 14.644 -2.477) 15.925 14.454 ( 9.065 -3.820 -2.256) 10.093 15.622 ( 4.611 24.975 -0.632) 25.405 16.099 ( 3.572 -21.110 -0.778) 21.424 43.558 ( 0.322 -4.793 0.219) 4.809 43.597 ( 0.207 -8.248 0.121) 8.251 97.854 ( -0.071 1.238 0.044) 1.240 97.867 ( -0.108 -0.058 0.064) 0.138 99.990 ( -0.182 0.811 -0.018) 0.832 100.006 ( -0.224 -0.681 -0.029) 0.718 ======================= Grid point 647 (312/315) ======================= q-point: ( 0.18 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.486 8.691 3.098) 9.239 2.727 ( -1.731 -6.050 3.037) 6.987 2.940 ( 1.099 5.397 -5.758) 7.968 3.037 ( 0.642 -3.557 -6.601) 7.526 3.704 ( -2.402 6.142 4.334) 7.892 3.775 ( -2.366 -0.722 3.450) 4.246 4.171 ( 12.020 4.217 1.933) 12.884 4.283 ( 12.485 -6.394 1.984) 14.167 5.844 ( -4.704 4.003 1.026) 6.262 5.882 ( -4.260 0.421 2.265) 4.843 7.079 ( -19.002 3.007 -0.159) 19.239 7.121 ( -17.934 -1.714 1.345) 18.066 11.585 ( 10.035 31.168 -1.976) 32.803 12.116 ( 6.832 -19.420 -2.354) 20.720 14.442 ( 13.424 17.061 -4.760) 22.225 14.708 ( 17.079 -8.861 -4.608) 19.785 15.738 ( 6.761 24.847 -0.701) 25.760 16.187 ( 5.117 -18.904 -0.929) 19.606 43.568 ( 0.544 -4.793 0.366) 4.837 43.603 ( 0.366 -7.954 0.210) 7.966 97.852 ( -0.111 1.183 0.074) 1.190 97.865 ( -0.186 -0.012 0.106) 0.215 99.985 ( -0.294 0.744 -0.022) 0.800 100.000 ( -0.383 -0.623 -0.055) 0.733 ======================= Grid point 648 (313/315) ======================= q-point: ( 0.27 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -1.732 7.795 2.015) 8.235 2.689 ( -3.339 -4.863 2.774) 6.518 2.941 ( 1.450 4.561 -5.511) 7.299 3.026 ( 0.815 -3.400 -7.695) 8.453 3.676 ( -1.778 5.664 4.918) 7.709 3.743 ( -1.941 -0.725 4.702) 5.138 4.427 ( 12.373 3.527 2.483) 13.103 4.533 ( 11.556 -6.571 1.757) 13.409 5.748 ( -5.220 4.688 2.164) 7.342 5.796 ( -4.837 -0.215 2.951) 5.670 6.689 ( -19.222 3.698 -0.984) 19.599 6.762 ( -17.508 -4.015 0.280) 17.965 11.751 ( 6.775 28.357 -1.448) 29.191 12.212 ( 3.372 -15.688 -1.999) 16.170 14.754 ( 18.678 19.054 -6.027) 27.355 15.076 ( 20.258 -12.631 -5.900) 24.592 15.869 ( 6.275 24.095 -0.303) 24.901 16.280 ( 4.009 -16.299 -0.209) 16.786 43.580 ( 0.593 -4.776 0.394) 4.828 43.612 ( 0.422 -7.590 0.238) 7.605 97.850 ( -0.108 1.093 0.081) 1.101 97.861 ( -0.213 0.064 0.114) 0.249 99.979 ( -0.301 0.631 -0.011) 0.699 99.991 ( -0.427 -0.522 -0.071) 0.678 ======================= Grid point 649 (314/315) ======================= q-point: ( 0.36 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -3.592 5.859 -0.680) 6.906 2.602 ( -5.533 -3.897 0.623) 6.796 2.984 ( 3.495 4.232 -1.685) 5.741 3.050 ( 3.474 -1.943 -5.764) 7.005 3.660 ( -0.956 4.676 3.497) 5.917 3.720 ( -1.752 -1.087 4.485) 4.936 4.649 ( 8.915 2.021 2.153) 9.392 4.730 ( 7.567 -5.773 1.008) 9.571 5.659 ( -4.114 4.898 2.772) 6.971 5.711 ( -4.521 -0.380 2.819) 5.341 6.347 ( -13.904 4.837 -1.774) 14.828 6.458 ( -12.493 -6.262 -0.684) 13.992 11.847 ( 3.384 25.544 -0.813) 25.780 12.246 ( 0.875 -12.718 -1.348) 12.819 15.110 ( 17.794 19.353 -5.561) 26.872 15.421 ( 14.305 -10.146 -4.582) 18.127 15.982 ( 5.473 19.573 -0.476) 20.329 16.332 ( 0.905 -13.857 1.078) 13.928 43.592 ( 0.452 -4.744 0.297) 4.774 43.620 ( 0.338 -7.273 0.188) 7.284 97.849 ( -0.067 0.985 0.061) 0.989 97.857 ( -0.175 0.158 0.086) 0.251 99.974 ( -0.213 0.495 0.007) 0.539 99.983 ( -0.338 -0.399 -0.068) 0.528 ======================= Grid point 650 (315/315) ======================= q-point: ( 0.45 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.64e-04 1.64e-04 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -1.487 3.255 -0.742) 3.655 2.506 ( -3.154 -2.709 -0.129) 4.160 3.041 ( 1.858 5.415 -0.271) 5.732 3.106 ( 2.315 -0.729 -1.946) 3.111 3.663 ( 0.742 2.178 0.639) 2.388 3.693 ( -1.947 -0.534 2.494) 3.209 4.778 ( 3.314 0.642 0.920) 3.499 4.832 ( 2.495 -4.808 0.262) 5.423 5.612 ( -1.082 3.877 1.817) 4.416 5.639 ( -2.748 1.027 0.796) 3.040 6.155 ( -4.784 5.172 -0.975) 7.113 6.283 ( -4.567 -7.424 -0.529) 8.732 11.887 ( 0.995 23.814 -0.261) 23.837 12.251 ( 0.068 -11.084 -0.488) 11.094 15.385 ( 9.579 16.957 -3.027) 19.710 15.572 ( 1.924 2.206 -0.645) 2.997 16.086 ( 4.317 8.067 -1.242) 9.233 16.325 ( -1.423 -11.705 1.381) 11.872 43.599 ( 0.169 -4.717 0.110) 4.721 43.625 ( 0.130 -7.094 0.071) 7.096 97.848 ( -0.019 0.901 0.023) 0.902 97.855 ( -0.071 0.232 0.032) 0.245 99.971 ( -0.073 0.392 0.009) 0.398 99.978 ( -0.131 -0.304 -0.032) 0.333 =================== 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 3/27456 10.0 160.363 173.622 126.812 0.000 0.347 0.000 3/27456 20.0 51.032 49.804 37.814 0.000 -1.186 0.000 3/27456 30.0 21.292 22.929 15.068 0.000 -0.857 0.000 3/27456 40.0 12.362 13.824 8.301 0.000 -0.613 0.000 3/27456 50.0 8.453 9.592 5.474 0.000 -0.453 0.000 3/27456 60.0 6.353 7.270 4.018 0.000 -0.349 0.000 3/27456 70.0 5.070 5.850 3.159 0.000 -0.279 0.000 3/27456 80.0 4.213 4.910 2.599 0.000 -0.230 0.000 3/27456 90.0 3.602 4.248 2.209 0.000 -0.194 0.000 3/27456 100.0 3.146 3.758 1.920 0.000 -0.167 0.000 3/27456 110.0 2.792 3.382 1.699 0.000 -0.146 0.000 3/27456 120.0 2.510 3.083 1.523 0.000 -0.129 0.000 3/27456 130.0 2.280 2.839 1.380 0.000 -0.116 0.000 3/27456 140.0 2.089 2.635 1.262 0.000 -0.105 0.000 3/27456 150.0 1.928 2.462 1.163 0.000 -0.096 0.000 3/27456 160.0 1.791 2.313 1.078 0.000 -0.088 0.000 3/27456 170.0 1.673 2.183 1.004 0.000 -0.081 0.000 3/27456 180.0 1.569 2.069 0.941 0.000 -0.075 0.000 3/27456 190.0 1.479 1.968 0.884 0.000 -0.070 0.000 3/27456 200.0 1.398 1.877 0.835 0.000 -0.066 0.000 3/27456 210.0 1.326 1.796 0.790 0.000 -0.062 0.000 3/27456 220.0 1.261 1.724 0.750 0.000 -0.059 0.000 3/27456 230.0 1.203 1.659 0.714 0.000 -0.056 0.000 3/27456 240.0 1.150 1.600 0.682 0.000 -0.053 0.000 3/27456 250.0 1.101 1.548 0.652 0.000 -0.050 0.000 3/27456 260.0 1.057 1.501 0.625 0.000 -0.048 0.000 3/27456 270.0 1.016 1.460 0.600 0.000 -0.046 0.000 3/27456 280.0 0.978 1.423 0.577 0.000 -0.044 0.000 3/27456 290.0 0.944 1.391 0.556 0.000 -0.042 0.000 3/27456 300.0 0.911 1.362 0.536 0.000 -0.041 0.000 3/27456 310.0 0.881 1.338 0.518 0.000 -0.039 0.000 3/27456 320.0 0.853 1.317 0.501 0.000 -0.038 0.000 3/27456 330.0 0.826 1.299 0.485 0.000 -0.037 0.000 3/27456 340.0 0.802 1.285 0.470 0.000 -0.036 0.000 3/27456 350.0 0.779 1.273 0.456 0.000 -0.034 0.000 3/27456 360.0 0.757 1.263 0.443 0.000 -0.033 0.000 3/27456 370.0 0.736 1.256 0.430 0.000 -0.032 0.000 3/27456 380.0 0.717 1.250 0.419 0.000 -0.031 0.000 3/27456 390.0 0.698 1.247 0.408 0.000 -0.031 0.000 3/27456 400.0 0.681 1.246 0.397 0.000 -0.030 0.000 3/27456 410.0 0.664 1.245 0.387 0.000 -0.029 0.000 3/27456 420.0 0.648 1.247 0.378 0.000 -0.028 0.000 3/27456 430.0 0.633 1.249 0.369 0.000 -0.028 0.000 3/27456 440.0 0.619 1.253 0.361 0.000 -0.027 0.000 3/27456 450.0 0.605 1.258 0.353 0.000 -0.026 0.000 3/27456 460.0 0.592 1.263 0.345 0.000 -0.026 0.000 3/27456 470.0 0.580 1.269 0.337 0.000 -0.025 0.000 3/27456 480.0 0.568 1.276 0.330 0.000 -0.025 0.000 3/27456 490.0 0.556 1.283 0.324 0.000 -0.024 0.000 3/27456 500.0 0.546 1.291 0.317 0.000 -0.023 0.000 3/27456 510.0 0.535 1.299 0.311 0.000 -0.023 0.000 3/27456 520.0 0.525 1.308 0.305 0.000 -0.023 0.000 3/27456 530.0 0.515 1.317 0.299 0.000 -0.022 0.000 3/27456 540.0 0.506 1.326 0.294 0.000 -0.022 0.000 3/27456 550.0 0.497 1.335 0.289 0.000 -0.021 0.000 3/27456 560.0 0.488 1.344 0.284 0.000 -0.021 0.000 3/27456 570.0 0.480 1.353 0.279 0.000 -0.021 0.000 3/27456 580.0 0.472 1.363 0.274 0.000 -0.020 0.000 3/27456 590.0 0.464 1.372 0.269 0.000 -0.020 0.000 3/27456 600.0 0.457 1.381 0.265 0.000 -0.019 0.000 3/27456 610.0 0.449 1.390 0.261 0.000 -0.019 0.000 3/27456 620.0 0.442 1.400 0.257 0.000 -0.019 0.000 3/27456 630.0 0.435 1.409 0.253 0.000 -0.019 0.000 3/27456 640.0 0.429 1.418 0.249 0.000 -0.018 0.000 3/27456 650.0 0.423 1.426 0.245 0.000 -0.018 0.000 3/27456 660.0 0.416 1.435 0.242 0.000 -0.018 0.000 3/27456 670.0 0.410 1.444 0.238 0.000 -0.017 0.000 3/27456 680.0 0.405 1.452 0.235 0.000 -0.017 0.000 3/27456 690.0 0.399 1.460 0.231 0.000 -0.017 0.000 3/27456 700.0 0.393 1.468 0.228 0.000 -0.017 0.000 3/27456 710.0 0.388 1.476 0.225 0.000 -0.016 0.000 3/27456 720.0 0.383 1.484 0.222 0.000 -0.016 0.000 3/27456 730.0 0.378 1.491 0.219 0.000 -0.016 0.000 3/27456 740.0 0.373 1.498 0.216 0.000 -0.016 0.000 3/27456 750.0 0.368 1.505 0.214 0.000 -0.016 0.000 3/27456 760.0 0.364 1.512 0.211 0.000 -0.015 0.000 3/27456 770.0 0.359 1.519 0.208 0.000 -0.015 0.000 3/27456 780.0 0.355 1.525 0.206 0.000 -0.015 0.000 3/27456 790.0 0.350 1.531 0.203 0.000 -0.015 0.000 3/27456 800.0 0.346 1.537 0.201 0.000 -0.015 0.000 3/27456 810.0 0.342 1.543 0.199 0.000 -0.014 0.000 3/27456 820.0 0.338 1.549 0.196 0.000 -0.014 0.000 3/27456 830.0 0.334 1.554 0.194 0.000 -0.014 0.000 3/27456 840.0 0.330 1.560 0.192 0.000 -0.014 0.000 3/27456 850.0 0.327 1.565 0.190 0.000 -0.014 0.000 3/27456 860.0 0.323 1.570 0.188 0.000 -0.014 0.000 3/27456 870.0 0.320 1.574 0.186 0.000 -0.013 0.000 3/27456 880.0 0.316 1.579 0.184 0.000 -0.013 0.000 3/27456 890.0 0.313 1.583 0.182 0.000 -0.013 0.000 3/27456 900.0 0.309 1.588 0.180 0.000 -0.013 0.000 3/27456 910.0 0.306 1.592 0.178 0.000 -0.013 0.000 3/27456 920.0 0.303 1.595 0.176 0.000 -0.013 0.000 3/27456 930.0 0.300 1.599 0.174 0.000 -0.013 0.000 3/27456 940.0 0.297 1.603 0.172 0.000 -0.012 0.000 3/27456 950.0 0.294 1.606 0.171 0.000 -0.012 0.000 3/27456 960.0 0.291 1.610 0.169 0.000 -0.012 0.000 3/27456 970.0 0.288 1.613 0.167 0.000 -0.012 0.000 3/27456 980.0 0.285 1.616 0.166 0.000 -0.012 0.000 3/27456 990.0 0.283 1.619 0.164 0.000 -0.012 0.000 3/27456 1000.0 0.280 1.621 0.163 0.000 -0.012 0.000 3/27456 Thermal conductivity related properties were written into "kappa-m11138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:53:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|