----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:18:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.510901050000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.506152250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.871827509999999 Atomic positions (fractional): *1 Li 0.89619462596254 0.75000000000000 0.00133350580016 6.941 2 Li 0.60380537403746 0.25000000000000 0.50133350580016 6.941 3 Li 0.39619462596254 0.75000000000000 0.49866649419984 6.941 4 Li 0.10380537403746 0.25000000000000 0.99866649419984 6.941 *5 O 0.81251521027142 0.25000000000000 0.04871202181385 15.999 6 O 0.68748478972858 0.75000000000000 0.54871202181385 15.999 7 O 0.31251521027142 0.25000000000000 0.45128797818615 15.999 8 O 0.18748478972858 0.75000000000000 0.95128797818615 15.999 *9 Rb 0.99795539283638 0.25000000000000 0.67932120703187 85.468 10 Rb 0.00204460716362 0.75000000000000 0.32067879296813 85.468 11 Rb 0.49795539283638 0.25000000000000 0.82067879296813 85.468 12 Rb 0.50204460716362 0.75000000000000 0.17932120703187 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.510901050000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.506152250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.871827509999999 Atomic positions (fractional): *1 Li 0.89619462596254 0.75000000000000 0.00133350580016 6.941 > 1 2 Li 0.60380537403746 0.25000000000000 0.50133350580016 6.941 > 2 3 Li 0.39619462596254 0.75000000000000 0.49866649419984 6.941 > 3 4 Li 0.10380537403746 0.25000000000000 0.99866649419984 6.941 > 4 *5 O 0.81251521027142 0.25000000000000 0.04871202181385 15.999 > 5 6 O 0.68748478972858 0.75000000000000 0.54871202181385 15.999 > 6 7 O 0.31251521027142 0.25000000000000 0.45128797818615 15.999 > 7 8 O 0.18748478972858 0.75000000000000 0.95128797818615 15.999 > 8 *9 Rb 0.99795539283638 0.25000000000000 0.67932120703187 85.468 > 9 10 Rb 0.00204460716362 0.75000000000000 0.32067879296813 85.468 > 10 11 Rb 0.49795539283638 0.25000000000000 0.82067879296813 85.468 > 11 12 Rb 0.50204460716362 0.75000000000000 0.17932120703187 85.468 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.021802100000004 0.000000000000000 0.000000000000000 b 0.000000000000000 10.518456750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.743655019999999 Atomic positions (fractional): *1 Li 0.44809731298127 0.25000000000000 0.00066675290008 6.941 > 1 2 Li 0.94809731298127 0.25000000000000 0.00066675290008 6.941 > 1 3 Li 0.44809731298127 0.58333333333333 0.00066675290008 6.941 > 1 4 Li 0.94809731298127 0.58333333333333 0.00066675290008 6.941 > 1 5 Li 0.44809731298127 0.91666666666667 0.00066675290008 6.941 > 1 6 Li 0.94809731298127 0.91666666666667 0.00066675290008 6.941 > 1 7 Li 0.44809731298127 0.25000000000000 0.50066675290008 6.941 > 1 8 Li 0.94809731298127 0.25000000000000 0.50066675290008 6.941 > 1 9 Li 0.44809731298127 0.58333333333333 0.50066675290008 6.941 > 1 10 Li 0.94809731298127 0.58333333333333 0.50066675290008 6.941 > 1 11 Li 0.44809731298127 0.91666666666667 0.50066675290008 6.941 > 1 12 Li 0.94809731298127 0.91666666666667 0.50066675290008 6.941 > 1 13 Li 0.30190268701873 0.08333333333333 0.25066675290008 6.941 > 2 14 Li 0.80190268701873 0.08333333333333 0.25066675290008 6.941 > 2 15 Li 0.30190268701873 0.41666666666667 0.25066675290008 6.941 > 2 16 Li 0.80190268701873 0.41666666666667 0.25066675290008 6.941 > 2 17 Li 0.30190268701873 0.75000000000000 0.25066675290008 6.941 > 2 18 Li 0.80190268701873 0.75000000000000 0.25066675290008 6.941 > 2 19 Li 0.30190268701873 0.08333333333333 0.75066675290008 6.941 > 2 20 Li 0.80190268701873 0.08333333333333 0.75066675290008 6.941 > 2 21 Li 0.30190268701873 0.41666666666667 0.75066675290008 6.941 > 2 22 Li 0.80190268701873 0.41666666666667 0.75066675290008 6.941 > 2 23 Li 0.30190268701873 0.75000000000000 0.75066675290008 6.941 > 2 24 Li 0.80190268701873 0.75000000000000 0.75066675290008 6.941 > 2 25 Li 0.19809731298127 0.25000000000000 0.24933324709992 6.941 > 3 26 Li 0.69809731298127 0.25000000000000 0.24933324709992 6.941 > 3 27 Li 0.19809731298127 0.58333333333333 0.24933324709992 6.941 > 3 28 Li 0.69809731298127 0.58333333333333 0.24933324709992 6.941 > 3 29 Li 0.19809731298127 0.91666666666667 0.24933324709992 6.941 > 3 30 Li 0.69809731298127 0.91666666666667 0.24933324709992 6.941 > 3 31 Li 0.19809731298127 0.25000000000000 0.74933324709992 6.941 > 3 32 Li 0.69809731298127 0.25000000000000 0.74933324709992 6.941 > 3 33 Li 0.19809731298127 0.58333333333333 0.74933324709992 6.941 > 3 34 Li 0.69809731298127 0.58333333333333 0.74933324709992 6.941 > 3 35 Li 0.19809731298127 0.91666666666667 0.74933324709992 6.941 > 3 36 Li 0.69809731298127 0.91666666666667 0.74933324709992 6.941 > 3 37 Li 0.05190268701873 0.08333333333333 0.49933324709992 6.941 > 4 38 Li 0.55190268701873 0.08333333333333 0.49933324709992 6.941 > 4 39 Li 0.05190268701873 0.41666666666667 0.49933324709992 6.941 > 4 40 Li 0.55190268701873 0.41666666666667 0.49933324709992 6.941 > 4 41 Li 0.05190268701873 0.75000000000000 0.49933324709992 6.941 > 4 42 Li 0.55190268701873 0.75000000000000 0.49933324709992 6.941 > 4 43 Li 0.05190268701873 0.08333333333333 0.99933324709992 6.941 > 4 44 Li 0.55190268701873 0.08333333333333 0.99933324709992 6.941 > 4 45 Li 0.05190268701873 0.41666666666667 0.99933324709992 6.941 > 4 46 Li 0.55190268701873 0.41666666666667 0.99933324709992 6.941 > 4 47 Li 0.05190268701873 0.75000000000000 0.99933324709992 6.941 > 4 48 Li 0.55190268701873 0.75000000000000 0.99933324709992 6.941 > 4 *49 O 0.40625760513571 0.08333333333333 0.02435601090693 15.999 > 5 50 O 0.90625760513571 0.08333333333333 0.02435601090693 15.999 > 5 51 O 0.40625760513571 0.41666666666667 0.02435601090693 15.999 > 5 52 O 0.90625760513571 0.41666666666667 0.02435601090693 15.999 > 5 53 O 0.40625760513571 0.75000000000000 0.02435601090693 15.999 > 5 54 O 0.90625760513571 0.75000000000000 0.02435601090693 15.999 > 5 55 O 0.40625760513571 0.08333333333333 0.52435601090693 15.999 > 5 56 O 0.90625760513571 0.08333333333333 0.52435601090693 15.999 > 5 57 O 0.40625760513571 0.41666666666667 0.52435601090693 15.999 > 5 58 O 0.90625760513571 0.41666666666667 0.52435601090693 15.999 > 5 59 O 0.40625760513571 0.75000000000000 0.52435601090693 15.999 > 5 60 O 0.90625760513571 0.75000000000000 0.52435601090693 15.999 > 5 61 O 0.34374239486429 0.25000000000000 0.27435601090693 15.999 > 6 62 O 0.84374239486429 0.25000000000000 0.27435601090693 15.999 > 6 63 O 0.34374239486429 0.58333333333333 0.27435601090693 15.999 > 6 64 O 0.84374239486429 0.58333333333333 0.27435601090693 15.999 > 6 65 O 0.34374239486429 0.91666666666667 0.27435601090693 15.999 > 6 66 O 0.84374239486429 0.91666666666667 0.27435601090693 15.999 > 6 67 O 0.34374239486429 0.25000000000000 0.77435601090693 15.999 > 6 68 O 0.84374239486429 0.25000000000000 0.77435601090693 15.999 > 6 69 O 0.34374239486429 0.58333333333333 0.77435601090693 15.999 > 6 70 O 0.84374239486429 0.58333333333333 0.77435601090693 15.999 > 6 71 O 0.34374239486429 0.91666666666667 0.77435601090693 15.999 > 6 72 O 0.84374239486429 0.91666666666667 0.77435601090693 15.999 > 6 73 O 0.15625760513571 0.08333333333333 0.22564398909307 15.999 > 7 74 O 0.65625760513571 0.08333333333333 0.22564398909307 15.999 > 7 75 O 0.15625760513571 0.41666666666667 0.22564398909307 15.999 > 7 76 O 0.65625760513571 0.41666666666667 0.22564398909307 15.999 > 7 77 O 0.15625760513571 0.75000000000000 0.22564398909307 15.999 > 7 78 O 0.65625760513571 0.75000000000000 0.22564398909307 15.999 > 7 79 O 0.15625760513571 0.08333333333333 0.72564398909307 15.999 > 7 80 O 0.65625760513571 0.08333333333333 0.72564398909307 15.999 > 7 81 O 0.15625760513571 0.41666666666667 0.72564398909307 15.999 > 7 82 O 0.65625760513571 0.41666666666667 0.72564398909307 15.999 > 7 83 O 0.15625760513571 0.75000000000000 0.72564398909307 15.999 > 7 84 O 0.65625760513571 0.75000000000000 0.72564398909307 15.999 > 7 85 O 0.09374239486429 0.25000000000000 0.47564398909307 15.999 > 8 86 O 0.59374239486429 0.25000000000000 0.47564398909307 15.999 > 8 87 O 0.09374239486429 0.58333333333333 0.47564398909307 15.999 > 8 88 O 0.59374239486429 0.58333333333333 0.47564398909307 15.999 > 8 89 O 0.09374239486429 0.91666666666667 0.47564398909307 15.999 > 8 90 O 0.59374239486429 0.91666666666667 0.47564398909307 15.999 > 8 91 O 0.09374239486429 0.25000000000000 0.97564398909307 15.999 > 8 92 O 0.59374239486429 0.25000000000000 0.97564398909307 15.999 > 8 93 O 0.09374239486429 0.58333333333333 0.97564398909307 15.999 > 8 94 O 0.59374239486429 0.58333333333333 0.97564398909307 15.999 > 8 95 O 0.09374239486429 0.91666666666667 0.97564398909307 15.999 > 8 96 O 0.59374239486429 0.91666666666667 0.97564398909307 15.999 > 8 *97 Rb 0.49897769641819 0.08333333333333 0.33966060351594 85.468 > 9 98 Rb 0.99897769641819 0.08333333333333 0.33966060351594 85.468 > 9 99 Rb 0.49897769641819 0.41666666666667 0.33966060351594 85.468 > 9 100 Rb 0.99897769641819 0.41666666666667 0.33966060351594 85.468 > 9 101 Rb 0.49897769641819 0.75000000000000 0.33966060351594 85.468 > 9 102 Rb 0.99897769641819 0.75000000000000 0.33966060351594 85.468 > 9 103 Rb 0.49897769641819 0.08333333333333 0.83966060351594 85.468 > 9 104 Rb 0.99897769641819 0.08333333333333 0.83966060351594 85.468 > 9 105 Rb 0.49897769641819 0.41666666666667 0.83966060351594 85.468 > 9 106 Rb 0.99897769641819 0.41666666666667 0.83966060351594 85.468 > 9 107 Rb 0.49897769641819 0.75000000000000 0.83966060351594 85.468 > 9 108 Rb 0.99897769641819 0.75000000000000 0.83966060351594 85.468 > 9 109 Rb 0.00102230358181 0.25000000000000 0.16033939648406 85.468 > 10 110 Rb 0.50102230358181 0.25000000000000 0.16033939648406 85.468 > 10 111 Rb 0.00102230358181 0.58333333333333 0.16033939648406 85.468 > 10 112 Rb 0.50102230358181 0.58333333333333 0.16033939648406 85.468 > 10 113 Rb 0.00102230358181 0.91666666666667 0.16033939648406 85.468 > 10 114 Rb 0.50102230358181 0.91666666666667 0.16033939648406 85.468 > 10 115 Rb 0.00102230358181 0.25000000000000 0.66033939648406 85.468 > 10 116 Rb 0.50102230358181 0.25000000000000 0.66033939648406 85.468 > 10 117 Rb 0.00102230358181 0.58333333333333 0.66033939648406 85.468 > 10 118 Rb 0.50102230358181 0.58333333333333 0.66033939648406 85.468 > 10 119 Rb 0.00102230358181 0.91666666666667 0.66033939648406 85.468 > 10 120 Rb 0.50102230358181 0.91666666666667 0.66033939648406 85.468 > 10 121 Rb 0.24897769641819 0.08333333333333 0.41033939648406 85.468 > 11 122 Rb 0.74897769641819 0.08333333333333 0.41033939648406 85.468 > 11 123 Rb 0.24897769641819 0.41666666666667 0.41033939648406 85.468 > 11 124 Rb 0.74897769641819 0.41666666666667 0.41033939648406 85.468 > 11 125 Rb 0.24897769641819 0.75000000000000 0.41033939648406 85.468 > 11 126 Rb 0.74897769641819 0.75000000000000 0.41033939648406 85.468 > 11 127 Rb 0.24897769641819 0.08333333333333 0.91033939648406 85.468 > 11 128 Rb 0.74897769641819 0.08333333333333 0.91033939648406 85.468 > 11 129 Rb 0.24897769641819 0.41666666666667 0.91033939648406 85.468 > 11 130 Rb 0.74897769641819 0.41666666666667 0.91033939648406 85.468 > 11 131 Rb 0.24897769641819 0.75000000000000 0.91033939648406 85.468 > 11 132 Rb 0.74897769641819 0.75000000000000 0.91033939648406 85.468 > 11 133 Rb 0.25102230358181 0.25000000000000 0.08966060351594 85.468 > 12 134 Rb 0.75102230358181 0.25000000000000 0.08966060351594 85.468 > 12 135 Rb 0.25102230358181 0.58333333333333 0.08966060351594 85.468 > 12 136 Rb 0.75102230358181 0.58333333333333 0.08966060351594 85.468 > 12 137 Rb 0.25102230358181 0.91666666666667 0.08966060351594 85.468 > 12 138 Rb 0.75102230358181 0.91666666666667 0.08966060351594 85.468 > 12 139 Rb 0.25102230358181 0.25000000000000 0.58966060351594 85.468 > 12 140 Rb 0.75102230358181 0.25000000000000 0.58966060351594 85.468 > 12 141 Rb 0.25102230358181 0.58333333333333 0.58966060351594 85.468 > 12 142 Rb 0.75102230358181 0.58333333333333 0.58966060351594 85.468 > 12 143 Rb 0.25102230358181 0.91666666666667 0.58966060351594 85.468 > 12 144 Rb 0.75102230358181 0.91666666666667 0.58966060351594 85.468 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2968116 0.0000000 0.0000000 0.0000000 3.0368571 0.0000000 0.0000000 0.0000000 3.4885188 -------------------------- Born effective charges -------------------------- 1 Li 0.8797524 0.0000000 -0.1072418 0.0000000 0.9473187 0.0000000 -0.1202757 0.0000000 0.6534804 2 Li 0.8797524 0.0000000 0.1072418 0.0000000 0.9473187 0.0000000 0.1202757 0.0000000 0.6534804 3 Li 0.8797524 0.0000000 0.1072418 0.0000000 0.9473187 0.0000000 0.1202757 0.0000000 0.6534804 4 Li 0.8797524 0.0000000 -0.1072418 0.0000000 0.9473187 0.0000000 -0.1202757 0.0000000 0.6534804 5 O -2.0752009 0.0000000 0.0727218 0.0000000 -2.0239005 0.0000000 0.0818936 0.0000000 -1.8465992 6 O -2.0752009 0.0000000 -0.0727218 0.0000000 -2.0239005 0.0000000 -0.0818936 0.0000000 -1.8465992 7 O -2.0752009 0.0000000 -0.0727218 0.0000000 -2.0239005 0.0000000 -0.0818936 0.0000000 -1.8465992 8 O -2.0752009 0.0000000 0.0727218 0.0000000 -2.0239005 0.0000000 0.0818936 0.0000000 -1.8465992 9 Rb 1.1954484 0.0000000 0.0711460 0.0000000 1.0765819 0.0000000 0.0164971 0.0000000 1.1931188 10 Rb 1.1954484 0.0000000 0.0711460 0.0000000 1.0765819 0.0000000 0.0164971 0.0000000 1.1931188 11 Rb 1.1954484 0.0000000 -0.0711460 0.0000000 1.0765819 0.0000000 -0.0164971 0.0000000 1.1931188 12 Rb 1.1954484 0.0000000 -0.0711460 0.0000000 1.0765819 0.0000000 -0.0164971 0.0000000 1.1931188 ---------------------------------------------------------------------------- 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: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.608 Solver_block: 200 / 240 - Time: 1.553 Solver_block: 240 / 240 - Time: 0.698 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.925 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:18:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:18:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.510901050000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.506152250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.871827509999999 Atomic positions (fractional): 1 Li 0.89619462596254 0.75000000000000 0.00133350580016 6.941 2 Li 0.60380537403746 0.25000000000000 0.50133350580016 6.941 3 Li 0.39619462596254 0.75000000000000 0.49866649419984 6.941 4 Li 0.10380537403746 0.25000000000000 0.99866649419984 6.941 5 O 0.81251521027142 0.25000000000000 0.04871202181385 15.999 6 O 0.68748478972858 0.75000000000000 0.54871202181385 15.999 7 O 0.31251521027142 0.25000000000000 0.45128797818615 15.999 8 O 0.18748478972858 0.75000000000000 0.95128797818615 15.999 9 Rb 0.99795539283638 0.25000000000000 0.67932120703187 85.468 10 Rb 0.00204460716362 0.75000000000000 0.32067879296813 85.468 11 Rb 0.49795539283638 0.25000000000000 0.82067879296813 85.468 12 Rb 0.50204460716362 0.75000000000000 0.17932120703187 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.021802100000004 0.000000000000000 0.000000000000000 b 0.000000000000000 10.518456750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.743655019999999 Atomic positions (fractional): 1 Li 0.44809731298127 0.25000000000000 0.00066675290008 6.941 > 1 2 Li 0.94809731298127 0.25000000000000 0.00066675290008 6.941 > 1 3 Li 0.44809731298127 0.58333333333333 0.00066675290008 6.941 > 1 4 Li 0.94809731298127 0.58333333333333 0.00066675290008 6.941 > 1 5 Li 0.44809731298127 0.91666666666667 0.00066675290008 6.941 > 1 6 Li 0.94809731298127 0.91666666666667 0.00066675290008 6.941 > 1 7 Li 0.44809731298127 0.25000000000000 0.50066675290008 6.941 > 1 8 Li 0.94809731298127 0.25000000000000 0.50066675290008 6.941 > 1 9 Li 0.44809731298127 0.58333333333333 0.50066675290008 6.941 > 1 10 Li 0.94809731298127 0.58333333333333 0.50066675290008 6.941 > 1 11 Li 0.44809731298127 0.91666666666667 0.50066675290008 6.941 > 1 12 Li 0.94809731298127 0.91666666666667 0.50066675290008 6.941 > 1 13 Li 0.30190268701873 0.08333333333333 0.25066675290008 6.941 > 13 14 Li 0.80190268701873 0.08333333333333 0.25066675290008 6.941 > 13 15 Li 0.30190268701873 0.41666666666667 0.25066675290008 6.941 > 13 16 Li 0.80190268701873 0.41666666666667 0.25066675290008 6.941 > 13 17 Li 0.30190268701873 0.75000000000000 0.25066675290008 6.941 > 13 18 Li 0.80190268701873 0.75000000000000 0.25066675290008 6.941 > 13 19 Li 0.30190268701873 0.08333333333333 0.75066675290008 6.941 > 13 20 Li 0.80190268701873 0.08333333333333 0.75066675290008 6.941 > 13 21 Li 0.30190268701873 0.41666666666667 0.75066675290008 6.941 > 13 22 Li 0.80190268701873 0.41666666666667 0.75066675290008 6.941 > 13 23 Li 0.30190268701873 0.75000000000000 0.75066675290008 6.941 > 13 24 Li 0.80190268701873 0.75000000000000 0.75066675290008 6.941 > 13 25 Li 0.19809731298127 0.25000000000000 0.24933324709992 6.941 > 25 26 Li 0.69809731298127 0.25000000000000 0.24933324709992 6.941 > 25 27 Li 0.19809731298127 0.58333333333333 0.24933324709992 6.941 > 25 28 Li 0.69809731298127 0.58333333333333 0.24933324709992 6.941 > 25 29 Li 0.19809731298127 0.91666666666667 0.24933324709992 6.941 > 25 30 Li 0.69809731298127 0.91666666666667 0.24933324709992 6.941 > 25 31 Li 0.19809731298127 0.25000000000000 0.74933324709992 6.941 > 25 32 Li 0.69809731298127 0.25000000000000 0.74933324709992 6.941 > 25 33 Li 0.19809731298127 0.58333333333333 0.74933324709992 6.941 > 25 34 Li 0.69809731298127 0.58333333333333 0.74933324709992 6.941 > 25 35 Li 0.19809731298127 0.91666666666667 0.74933324709992 6.941 > 25 36 Li 0.69809731298127 0.91666666666667 0.74933324709992 6.941 > 25 37 Li 0.05190268701873 0.08333333333333 0.49933324709992 6.941 > 37 38 Li 0.55190268701873 0.08333333333333 0.49933324709992 6.941 > 37 39 Li 0.05190268701873 0.41666666666667 0.49933324709992 6.941 > 37 40 Li 0.55190268701873 0.41666666666667 0.49933324709992 6.941 > 37 41 Li 0.05190268701873 0.75000000000000 0.49933324709992 6.941 > 37 42 Li 0.55190268701873 0.75000000000000 0.49933324709992 6.941 > 37 43 Li 0.05190268701873 0.08333333333333 0.99933324709992 6.941 > 37 44 Li 0.55190268701873 0.08333333333333 0.99933324709992 6.941 > 37 45 Li 0.05190268701873 0.41666666666667 0.99933324709992 6.941 > 37 46 Li 0.55190268701873 0.41666666666667 0.99933324709992 6.941 > 37 47 Li 0.05190268701873 0.75000000000000 0.99933324709992 6.941 > 37 48 Li 0.55190268701873 0.75000000000000 0.99933324709992 6.941 > 37 49 O 0.40625760513571 0.08333333333333 0.02435601090693 15.999 > 49 50 O 0.90625760513571 0.08333333333333 0.02435601090693 15.999 > 49 51 O 0.40625760513571 0.41666666666667 0.02435601090693 15.999 > 49 52 O 0.90625760513571 0.41666666666667 0.02435601090693 15.999 > 49 53 O 0.40625760513571 0.75000000000000 0.02435601090693 15.999 > 49 54 O 0.90625760513571 0.75000000000000 0.02435601090693 15.999 > 49 55 O 0.40625760513571 0.08333333333333 0.52435601090693 15.999 > 49 56 O 0.90625760513571 0.08333333333333 0.52435601090693 15.999 > 49 57 O 0.40625760513571 0.41666666666667 0.52435601090693 15.999 > 49 58 O 0.90625760513571 0.41666666666667 0.52435601090693 15.999 > 49 59 O 0.40625760513571 0.75000000000000 0.52435601090693 15.999 > 49 60 O 0.90625760513571 0.75000000000000 0.52435601090693 15.999 > 49 61 O 0.34374239486429 0.25000000000000 0.27435601090693 15.999 > 61 62 O 0.84374239486429 0.25000000000000 0.27435601090693 15.999 > 61 63 O 0.34374239486429 0.58333333333333 0.27435601090693 15.999 > 61 64 O 0.84374239486429 0.58333333333333 0.27435601090693 15.999 > 61 65 O 0.34374239486429 0.91666666666667 0.27435601090693 15.999 > 61 66 O 0.84374239486429 0.91666666666667 0.27435601090693 15.999 > 61 67 O 0.34374239486429 0.25000000000000 0.77435601090693 15.999 > 61 68 O 0.84374239486429 0.25000000000000 0.77435601090693 15.999 > 61 69 O 0.34374239486429 0.58333333333333 0.77435601090693 15.999 > 61 70 O 0.84374239486429 0.58333333333333 0.77435601090693 15.999 > 61 71 O 0.34374239486429 0.91666666666667 0.77435601090693 15.999 > 61 72 O 0.84374239486429 0.91666666666667 0.77435601090693 15.999 > 61 73 O 0.15625760513571 0.08333333333333 0.22564398909307 15.999 > 73 74 O 0.65625760513571 0.08333333333333 0.22564398909307 15.999 > 73 75 O 0.15625760513571 0.41666666666667 0.22564398909307 15.999 > 73 76 O 0.65625760513571 0.41666666666667 0.22564398909307 15.999 > 73 77 O 0.15625760513571 0.75000000000000 0.22564398909307 15.999 > 73 78 O 0.65625760513571 0.75000000000000 0.22564398909307 15.999 > 73 79 O 0.15625760513571 0.08333333333333 0.72564398909307 15.999 > 73 80 O 0.65625760513571 0.08333333333333 0.72564398909307 15.999 > 73 81 O 0.15625760513571 0.41666666666667 0.72564398909307 15.999 > 73 82 O 0.65625760513571 0.41666666666667 0.72564398909307 15.999 > 73 83 O 0.15625760513571 0.75000000000000 0.72564398909307 15.999 > 73 84 O 0.65625760513571 0.75000000000000 0.72564398909307 15.999 > 73 85 O 0.09374239486429 0.25000000000000 0.47564398909307 15.999 > 85 86 O 0.59374239486429 0.25000000000000 0.47564398909307 15.999 > 85 87 O 0.09374239486429 0.58333333333333 0.47564398909307 15.999 > 85 88 O 0.59374239486429 0.58333333333333 0.47564398909307 15.999 > 85 89 O 0.09374239486429 0.91666666666667 0.47564398909307 15.999 > 85 90 O 0.59374239486429 0.91666666666667 0.47564398909307 15.999 > 85 91 O 0.09374239486429 0.25000000000000 0.97564398909307 15.999 > 85 92 O 0.59374239486429 0.25000000000000 0.97564398909307 15.999 > 85 93 O 0.09374239486429 0.58333333333333 0.97564398909307 15.999 > 85 94 O 0.59374239486429 0.58333333333333 0.97564398909307 15.999 > 85 95 O 0.09374239486429 0.91666666666667 0.97564398909307 15.999 > 85 96 O 0.59374239486429 0.91666666666667 0.97564398909307 15.999 > 85 97 Rb 0.49897769641819 0.08333333333333 0.33966060351594 85.468 > 97 98 Rb 0.99897769641819 0.08333333333333 0.33966060351594 85.468 > 97 99 Rb 0.49897769641819 0.41666666666667 0.33966060351594 85.468 > 97 100 Rb 0.99897769641819 0.41666666666667 0.33966060351594 85.468 > 97 101 Rb 0.49897769641819 0.75000000000000 0.33966060351594 85.468 > 97 102 Rb 0.99897769641819 0.75000000000000 0.33966060351594 85.468 > 97 103 Rb 0.49897769641819 0.08333333333333 0.83966060351594 85.468 > 97 104 Rb 0.99897769641819 0.08333333333333 0.83966060351594 85.468 > 97 105 Rb 0.49897769641819 0.41666666666667 0.83966060351594 85.468 > 97 106 Rb 0.99897769641819 0.41666666666667 0.83966060351594 85.468 > 97 107 Rb 0.49897769641819 0.75000000000000 0.83966060351594 85.468 > 97 108 Rb 0.99897769641819 0.75000000000000 0.83966060351594 85.468 > 97 109 Rb 0.00102230358181 0.25000000000000 0.16033939648406 85.468 > 109 110 Rb 0.50102230358181 0.25000000000000 0.16033939648406 85.468 > 109 111 Rb 0.00102230358181 0.58333333333333 0.16033939648406 85.468 > 109 112 Rb 0.50102230358181 0.58333333333333 0.16033939648406 85.468 > 109 113 Rb 0.00102230358181 0.91666666666667 0.16033939648406 85.468 > 109 114 Rb 0.50102230358181 0.91666666666667 0.16033939648406 85.468 > 109 115 Rb 0.00102230358181 0.25000000000000 0.66033939648406 85.468 > 109 116 Rb 0.50102230358181 0.25000000000000 0.66033939648406 85.468 > 109 117 Rb 0.00102230358181 0.58333333333333 0.66033939648406 85.468 > 109 118 Rb 0.50102230358181 0.58333333333333 0.66033939648406 85.468 > 109 119 Rb 0.00102230358181 0.91666666666667 0.66033939648406 85.468 > 109 120 Rb 0.50102230358181 0.91666666666667 0.66033939648406 85.468 > 109 121 Rb 0.24897769641819 0.08333333333333 0.41033939648406 85.468 > 121 122 Rb 0.74897769641819 0.08333333333333 0.41033939648406 85.468 > 121 123 Rb 0.24897769641819 0.41666666666667 0.41033939648406 85.468 > 121 124 Rb 0.74897769641819 0.41666666666667 0.41033939648406 85.468 > 121 125 Rb 0.24897769641819 0.75000000000000 0.41033939648406 85.468 > 121 126 Rb 0.74897769641819 0.75000000000000 0.41033939648406 85.468 > 121 127 Rb 0.24897769641819 0.08333333333333 0.91033939648406 85.468 > 121 128 Rb 0.74897769641819 0.08333333333333 0.91033939648406 85.468 > 121 129 Rb 0.24897769641819 0.41666666666667 0.91033939648406 85.468 > 121 130 Rb 0.74897769641819 0.41666666666667 0.91033939648406 85.468 > 121 131 Rb 0.24897769641819 0.75000000000000 0.91033939648406 85.468 > 121 132 Rb 0.74897769641819 0.75000000000000 0.91033939648406 85.468 > 121 133 Rb 0.25102230358181 0.25000000000000 0.08966060351594 85.468 > 133 134 Rb 0.75102230358181 0.25000000000000 0.08966060351594 85.468 > 133 135 Rb 0.25102230358181 0.58333333333333 0.08966060351594 85.468 > 133 136 Rb 0.75102230358181 0.58333333333333 0.08966060351594 85.468 > 133 137 Rb 0.25102230358181 0.91666666666667 0.08966060351594 85.468 > 133 138 Rb 0.75102230358181 0.91666666666667 0.08966060351594 85.468 > 133 139 Rb 0.25102230358181 0.25000000000000 0.58966060351594 85.468 > 133 140 Rb 0.75102230358181 0.25000000000000 0.58966060351594 85.468 > 133 141 Rb 0.25102230358181 0.58333333333333 0.58966060351594 85.468 > 133 142 Rb 0.75102230358181 0.58333333333333 0.58966060351594 85.468 > 133 143 Rb 0.25102230358181 0.91666666666667 0.58966060351594 85.468 > 133 144 Rb 0.75102230358181 0.91666666666667 0.58966060351594 85.468 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2968116 0.0000000 0.0000000 0.0000000 3.0368571 0.0000000 0.0000000 0.0000000 3.4885188 -------------------------- Born effective charges -------------------------- 1 Li 0.8797524 0.0000000 -0.1072418 0.0000000 0.9473187 0.0000000 -0.1202757 0.0000000 0.6534804 2 Li 0.8797524 0.0000000 0.1072418 0.0000000 0.9473187 0.0000000 0.1202757 0.0000000 0.6534804 3 Li 0.8797524 0.0000000 0.1072418 0.0000000 0.9473187 0.0000000 0.1202757 0.0000000 0.6534804 4 Li 0.8797524 0.0000000 -0.1072418 0.0000000 0.9473187 0.0000000 -0.1202757 0.0000000 0.6534804 5 O -2.0752009 0.0000000 0.0727218 0.0000000 -2.0239005 0.0000000 0.0818936 0.0000000 -1.8465992 6 O -2.0752009 0.0000000 -0.0727218 0.0000000 -2.0239005 0.0000000 -0.0818936 0.0000000 -1.8465992 7 O -2.0752009 0.0000000 -0.0727218 0.0000000 -2.0239005 0.0000000 -0.0818936 0.0000000 -1.8465992 8 O -2.0752009 0.0000000 0.0727218 0.0000000 -2.0239005 0.0000000 0.0818936 0.0000000 -1.8465992 9 Rb 1.1954484 0.0000000 0.0711460 0.0000000 1.0765819 0.0000000 0.0164971 0.0000000 1.1931188 10 Rb 1.1954484 0.0000000 0.0711460 0.0000000 1.0765819 0.0000000 0.0164971 0.0000000 1.1931188 11 Rb 1.1954484 0.0000000 -0.0711460 0.0000000 1.0765819 0.0000000 -0.0164971 0.0000000 1.1931188 12 Rb 1.1954484 0.0000000 -0.0711460 0.0000000 1.0765819 0.0000000 -0.0164971 0.0000000 1.1931188 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) 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 07:18:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:18:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.510901050000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.506152250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.871827509999999 Atomic positions (fractional): 1 Li 0.89619462596254 0.75000000000000 0.00133350580016 6.941 2 Li 0.60380537403746 0.25000000000000 0.50133350580016 6.941 3 Li 0.39619462596254 0.75000000000000 0.49866649419984 6.941 4 Li 0.10380537403746 0.25000000000000 0.99866649419984 6.941 5 O 0.81251521027142 0.25000000000000 0.04871202181385 15.999 6 O 0.68748478972858 0.75000000000000 0.54871202181385 15.999 7 O 0.31251521027142 0.25000000000000 0.45128797818615 15.999 8 O 0.18748478972858 0.75000000000000 0.95128797818615 15.999 9 Rb 0.99795539283638 0.25000000000000 0.67932120703187 85.468 10 Rb 0.00204460716362 0.75000000000000 0.32067879296813 85.468 11 Rb 0.49795539283638 0.25000000000000 0.82067879296813 85.468 12 Rb 0.50204460716362 0.75000000000000 0.17932120703187 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.021802100000004 0.000000000000000 0.000000000000000 b 0.000000000000000 10.518456750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.743655019999999 Atomic positions (fractional): 1 Li 0.44809731298127 0.25000000000000 0.00066675290008 6.941 > 1 2 Li 0.94809731298127 0.25000000000000 0.00066675290008 6.941 > 1 3 Li 0.44809731298127 0.58333333333333 0.00066675290008 6.941 > 1 4 Li 0.94809731298127 0.58333333333333 0.00066675290008 6.941 > 1 5 Li 0.44809731298127 0.91666666666667 0.00066675290008 6.941 > 1 6 Li 0.94809731298127 0.91666666666667 0.00066675290008 6.941 > 1 7 Li 0.44809731298127 0.25000000000000 0.50066675290008 6.941 > 1 8 Li 0.94809731298127 0.25000000000000 0.50066675290008 6.941 > 1 9 Li 0.44809731298127 0.58333333333333 0.50066675290008 6.941 > 1 10 Li 0.94809731298127 0.58333333333333 0.50066675290008 6.941 > 1 11 Li 0.44809731298127 0.91666666666667 0.50066675290008 6.941 > 1 12 Li 0.94809731298127 0.91666666666667 0.50066675290008 6.941 > 1 13 Li 0.30190268701873 0.08333333333333 0.25066675290008 6.941 > 13 14 Li 0.80190268701873 0.08333333333333 0.25066675290008 6.941 > 13 15 Li 0.30190268701873 0.41666666666667 0.25066675290008 6.941 > 13 16 Li 0.80190268701873 0.41666666666667 0.25066675290008 6.941 > 13 17 Li 0.30190268701873 0.75000000000000 0.25066675290008 6.941 > 13 18 Li 0.80190268701873 0.75000000000000 0.25066675290008 6.941 > 13 19 Li 0.30190268701873 0.08333333333333 0.75066675290008 6.941 > 13 20 Li 0.80190268701873 0.08333333333333 0.75066675290008 6.941 > 13 21 Li 0.30190268701873 0.41666666666667 0.75066675290008 6.941 > 13 22 Li 0.80190268701873 0.41666666666667 0.75066675290008 6.941 > 13 23 Li 0.30190268701873 0.75000000000000 0.75066675290008 6.941 > 13 24 Li 0.80190268701873 0.75000000000000 0.75066675290008 6.941 > 13 25 Li 0.19809731298127 0.25000000000000 0.24933324709992 6.941 > 25 26 Li 0.69809731298127 0.25000000000000 0.24933324709992 6.941 > 25 27 Li 0.19809731298127 0.58333333333333 0.24933324709992 6.941 > 25 28 Li 0.69809731298127 0.58333333333333 0.24933324709992 6.941 > 25 29 Li 0.19809731298127 0.91666666666667 0.24933324709992 6.941 > 25 30 Li 0.69809731298127 0.91666666666667 0.24933324709992 6.941 > 25 31 Li 0.19809731298127 0.25000000000000 0.74933324709992 6.941 > 25 32 Li 0.69809731298127 0.25000000000000 0.74933324709992 6.941 > 25 33 Li 0.19809731298127 0.58333333333333 0.74933324709992 6.941 > 25 34 Li 0.69809731298127 0.58333333333333 0.74933324709992 6.941 > 25 35 Li 0.19809731298127 0.91666666666667 0.74933324709992 6.941 > 25 36 Li 0.69809731298127 0.91666666666667 0.74933324709992 6.941 > 25 37 Li 0.05190268701873 0.08333333333333 0.49933324709992 6.941 > 37 38 Li 0.55190268701873 0.08333333333333 0.49933324709992 6.941 > 37 39 Li 0.05190268701873 0.41666666666667 0.49933324709992 6.941 > 37 40 Li 0.55190268701873 0.41666666666667 0.49933324709992 6.941 > 37 41 Li 0.05190268701873 0.75000000000000 0.49933324709992 6.941 > 37 42 Li 0.55190268701873 0.75000000000000 0.49933324709992 6.941 > 37 43 Li 0.05190268701873 0.08333333333333 0.99933324709992 6.941 > 37 44 Li 0.55190268701873 0.08333333333333 0.99933324709992 6.941 > 37 45 Li 0.05190268701873 0.41666666666667 0.99933324709992 6.941 > 37 46 Li 0.55190268701873 0.41666666666667 0.99933324709992 6.941 > 37 47 Li 0.05190268701873 0.75000000000000 0.99933324709992 6.941 > 37 48 Li 0.55190268701873 0.75000000000000 0.99933324709992 6.941 > 37 49 O 0.40625760513571 0.08333333333333 0.02435601090693 15.999 > 49 50 O 0.90625760513571 0.08333333333333 0.02435601090693 15.999 > 49 51 O 0.40625760513571 0.41666666666667 0.02435601090693 15.999 > 49 52 O 0.90625760513571 0.41666666666667 0.02435601090693 15.999 > 49 53 O 0.40625760513571 0.75000000000000 0.02435601090693 15.999 > 49 54 O 0.90625760513571 0.75000000000000 0.02435601090693 15.999 > 49 55 O 0.40625760513571 0.08333333333333 0.52435601090693 15.999 > 49 56 O 0.90625760513571 0.08333333333333 0.52435601090693 15.999 > 49 57 O 0.40625760513571 0.41666666666667 0.52435601090693 15.999 > 49 58 O 0.90625760513571 0.41666666666667 0.52435601090693 15.999 > 49 59 O 0.40625760513571 0.75000000000000 0.52435601090693 15.999 > 49 60 O 0.90625760513571 0.75000000000000 0.52435601090693 15.999 > 49 61 O 0.34374239486429 0.25000000000000 0.27435601090693 15.999 > 61 62 O 0.84374239486429 0.25000000000000 0.27435601090693 15.999 > 61 63 O 0.34374239486429 0.58333333333333 0.27435601090693 15.999 > 61 64 O 0.84374239486429 0.58333333333333 0.27435601090693 15.999 > 61 65 O 0.34374239486429 0.91666666666667 0.27435601090693 15.999 > 61 66 O 0.84374239486429 0.91666666666667 0.27435601090693 15.999 > 61 67 O 0.34374239486429 0.25000000000000 0.77435601090693 15.999 > 61 68 O 0.84374239486429 0.25000000000000 0.77435601090693 15.999 > 61 69 O 0.34374239486429 0.58333333333333 0.77435601090693 15.999 > 61 70 O 0.84374239486429 0.58333333333333 0.77435601090693 15.999 > 61 71 O 0.34374239486429 0.91666666666667 0.77435601090693 15.999 > 61 72 O 0.84374239486429 0.91666666666667 0.77435601090693 15.999 > 61 73 O 0.15625760513571 0.08333333333333 0.22564398909307 15.999 > 73 74 O 0.65625760513571 0.08333333333333 0.22564398909307 15.999 > 73 75 O 0.15625760513571 0.41666666666667 0.22564398909307 15.999 > 73 76 O 0.65625760513571 0.41666666666667 0.22564398909307 15.999 > 73 77 O 0.15625760513571 0.75000000000000 0.22564398909307 15.999 > 73 78 O 0.65625760513571 0.75000000000000 0.22564398909307 15.999 > 73 79 O 0.15625760513571 0.08333333333333 0.72564398909307 15.999 > 73 80 O 0.65625760513571 0.08333333333333 0.72564398909307 15.999 > 73 81 O 0.15625760513571 0.41666666666667 0.72564398909307 15.999 > 73 82 O 0.65625760513571 0.41666666666667 0.72564398909307 15.999 > 73 83 O 0.15625760513571 0.75000000000000 0.72564398909307 15.999 > 73 84 O 0.65625760513571 0.75000000000000 0.72564398909307 15.999 > 73 85 O 0.09374239486429 0.25000000000000 0.47564398909307 15.999 > 85 86 O 0.59374239486429 0.25000000000000 0.47564398909307 15.999 > 85 87 O 0.09374239486429 0.58333333333333 0.47564398909307 15.999 > 85 88 O 0.59374239486429 0.58333333333333 0.47564398909307 15.999 > 85 89 O 0.09374239486429 0.91666666666667 0.47564398909307 15.999 > 85 90 O 0.59374239486429 0.91666666666667 0.47564398909307 15.999 > 85 91 O 0.09374239486429 0.25000000000000 0.97564398909307 15.999 > 85 92 O 0.59374239486429 0.25000000000000 0.97564398909307 15.999 > 85 93 O 0.09374239486429 0.58333333333333 0.97564398909307 15.999 > 85 94 O 0.59374239486429 0.58333333333333 0.97564398909307 15.999 > 85 95 O 0.09374239486429 0.91666666666667 0.97564398909307 15.999 > 85 96 O 0.59374239486429 0.91666666666667 0.97564398909307 15.999 > 85 97 Rb 0.49897769641819 0.08333333333333 0.33966060351594 85.468 > 97 98 Rb 0.99897769641819 0.08333333333333 0.33966060351594 85.468 > 97 99 Rb 0.49897769641819 0.41666666666667 0.33966060351594 85.468 > 97 100 Rb 0.99897769641819 0.41666666666667 0.33966060351594 85.468 > 97 101 Rb 0.49897769641819 0.75000000000000 0.33966060351594 85.468 > 97 102 Rb 0.99897769641819 0.75000000000000 0.33966060351594 85.468 > 97 103 Rb 0.49897769641819 0.08333333333333 0.83966060351594 85.468 > 97 104 Rb 0.99897769641819 0.08333333333333 0.83966060351594 85.468 > 97 105 Rb 0.49897769641819 0.41666666666667 0.83966060351594 85.468 > 97 106 Rb 0.99897769641819 0.41666666666667 0.83966060351594 85.468 > 97 107 Rb 0.49897769641819 0.75000000000000 0.83966060351594 85.468 > 97 108 Rb 0.99897769641819 0.75000000000000 0.83966060351594 85.468 > 97 109 Rb 0.00102230358181 0.25000000000000 0.16033939648406 85.468 > 109 110 Rb 0.50102230358181 0.25000000000000 0.16033939648406 85.468 > 109 111 Rb 0.00102230358181 0.58333333333333 0.16033939648406 85.468 > 109 112 Rb 0.50102230358181 0.58333333333333 0.16033939648406 85.468 > 109 113 Rb 0.00102230358181 0.91666666666667 0.16033939648406 85.468 > 109 114 Rb 0.50102230358181 0.91666666666667 0.16033939648406 85.468 > 109 115 Rb 0.00102230358181 0.25000000000000 0.66033939648406 85.468 > 109 116 Rb 0.50102230358181 0.25000000000000 0.66033939648406 85.468 > 109 117 Rb 0.00102230358181 0.58333333333333 0.66033939648406 85.468 > 109 118 Rb 0.50102230358181 0.58333333333333 0.66033939648406 85.468 > 109 119 Rb 0.00102230358181 0.91666666666667 0.66033939648406 85.468 > 109 120 Rb 0.50102230358181 0.91666666666667 0.66033939648406 85.468 > 109 121 Rb 0.24897769641819 0.08333333333333 0.41033939648406 85.468 > 121 122 Rb 0.74897769641819 0.08333333333333 0.41033939648406 85.468 > 121 123 Rb 0.24897769641819 0.41666666666667 0.41033939648406 85.468 > 121 124 Rb 0.74897769641819 0.41666666666667 0.41033939648406 85.468 > 121 125 Rb 0.24897769641819 0.75000000000000 0.41033939648406 85.468 > 121 126 Rb 0.74897769641819 0.75000000000000 0.41033939648406 85.468 > 121 127 Rb 0.24897769641819 0.08333333333333 0.91033939648406 85.468 > 121 128 Rb 0.74897769641819 0.08333333333333 0.91033939648406 85.468 > 121 129 Rb 0.24897769641819 0.41666666666667 0.91033939648406 85.468 > 121 130 Rb 0.74897769641819 0.41666666666667 0.91033939648406 85.468 > 121 131 Rb 0.24897769641819 0.75000000000000 0.91033939648406 85.468 > 121 132 Rb 0.74897769641819 0.75000000000000 0.91033939648406 85.468 > 121 133 Rb 0.25102230358181 0.25000000000000 0.08966060351594 85.468 > 133 134 Rb 0.75102230358181 0.25000000000000 0.08966060351594 85.468 > 133 135 Rb 0.25102230358181 0.58333333333333 0.08966060351594 85.468 > 133 136 Rb 0.75102230358181 0.58333333333333 0.08966060351594 85.468 > 133 137 Rb 0.25102230358181 0.91666666666667 0.08966060351594 85.468 > 133 138 Rb 0.75102230358181 0.91666666666667 0.08966060351594 85.468 > 133 139 Rb 0.25102230358181 0.25000000000000 0.58966060351594 85.468 > 133 140 Rb 0.75102230358181 0.25000000000000 0.58966060351594 85.468 > 133 141 Rb 0.25102230358181 0.58333333333333 0.58966060351594 85.468 > 133 142 Rb 0.75102230358181 0.58333333333333 0.58966060351594 85.468 > 133 143 Rb 0.25102230358181 0.91666666666667 0.58966060351594 85.468 > 133 144 Rb 0.75102230358181 0.91666666666667 0.58966060351594 85.468 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2968116 0.0000000 0.0000000 0.0000000 3.0368571 0.0000000 0.0000000 0.0000000 3.4885188 -------------------------- Born effective charges -------------------------- 1 Li 0.8797524 0.0000000 -0.1072418 0.0000000 0.9473187 0.0000000 -0.1202757 0.0000000 0.6534804 2 Li 0.8797524 0.0000000 0.1072418 0.0000000 0.9473187 0.0000000 0.1202757 0.0000000 0.6534804 3 Li 0.8797524 0.0000000 0.1072418 0.0000000 0.9473187 0.0000000 0.1202757 0.0000000 0.6534804 4 Li 0.8797524 0.0000000 -0.1072418 0.0000000 0.9473187 0.0000000 -0.1202757 0.0000000 0.6534804 5 O -2.0752009 0.0000000 0.0727218 0.0000000 -2.0239005 0.0000000 0.0818936 0.0000000 -1.8465992 6 O -2.0752009 0.0000000 -0.0727218 0.0000000 -2.0239005 0.0000000 -0.0818936 0.0000000 -1.8465992 7 O -2.0752009 0.0000000 -0.0727218 0.0000000 -2.0239005 0.0000000 -0.0818936 0.0000000 -1.8465992 8 O -2.0752009 0.0000000 0.0727218 0.0000000 -2.0239005 0.0000000 0.0818936 0.0000000 -1.8465992 9 Rb 1.1954484 0.0000000 0.0711460 0.0000000 1.0765819 0.0000000 0.0164971 0.0000000 1.1931188 10 Rb 1.1954484 0.0000000 0.0711460 0.0000000 1.0765819 0.0000000 0.0164971 0.0000000 1.1931188 11 Rb 1.1954484 0.0000000 -0.0711460 0.0000000 1.0765819 0.0000000 -0.0164971 0.0000000 1.1931188 12 Rb 1.1954484 0.0000000 -0.0711460 0.0000000 1.0765819 0.0000000 -0.0164971 0.0000000 1.1931188 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) 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 ... [ 8 14 6 ] 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: 0.71, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.260 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.386 ( 0.000 0.000 0.000) 0.000 1.449 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 9.446 ( 0.000 0.000 0.000) 0.000 9.842 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 12.025 ( 0.000 0.000 0.000) 0.000 13.107 ( 0.000 0.000 0.000) 0.000 13.589 ( 0.000 0.000 0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 15.418 ( 0.000 0.000 0.000) 0.000 15.508 ( 0.000 0.000 0.000) 0.000 15.820 ( 0.000 0.000 0.000) 0.000 17.197 ( 0.000 0.000 0.000) 0.000 17.202 ( 0.000 0.000 0.000) 0.000 20.213 ( 0.000 0.000 0.000) 0.000 20.214 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 15.538 0.000 0.000) 15.538 0.391 ( 11.107 0.000 0.000) 11.107 0.393 ( 19.319 0.000 0.000) 19.319 0.848 ( 41.551 0.000 0.000) 41.551 1.173 ( 0.175 0.000 0.000) 0.175 1.432 ( -1.759 0.000 0.000) 1.759 1.510 ( 13.287 0.000 0.000) 13.287 1.863 ( -5.233 0.000 0.000) 5.233 2.360 ( -7.747 0.000 0.000) 7.747 2.450 ( -1.316 0.000 0.000) 1.316 2.720 ( -3.259 0.000 0.000) 3.259 3.088 ( -7.721 0.000 0.000) 7.721 3.128 ( -3.156 0.000 0.000) 3.156 3.314 ( 14.828 0.000 0.000) 14.828 3.916 ( 3.044 0.000 0.000) 3.044 4.152 ( 0.719 0.000 0.000) 0.719 4.732 ( -8.083 0.000 0.000) 8.083 5.511 ( 3.635 0.000 0.000) 3.635 5.659 ( -6.491 0.000 0.000) 6.491 6.484 ( -9.900 0.000 0.000) 9.900 9.112 ( 0.647 0.000 0.000) 0.647 9.217 ( -0.246 0.000 0.000) 0.246 9.470 ( 2.430 0.000 0.000) 2.430 9.840 ( -0.339 0.000 0.000) 0.339 11.401 ( 4.097 0.000 0.000) 4.097 11.972 ( -4.710 0.000 0.000) 4.710 13.163 ( 5.375 0.000 0.000) 5.375 14.309 ( -5.450 0.000 0.000) 5.450 15.193 ( 8.972 0.000 0.000) 8.972 15.419 ( 0.078 0.000 0.000) 0.078 15.567 ( 7.310 0.000 0.000) 7.310 17.197 ( 0.052 0.000 0.000) 0.052 17.202 ( 0.012 0.000 0.000) 0.012 17.658 ( -6.747 0.000 0.000) 6.747 20.212 ( -0.043 0.000 0.000) 0.043 20.213 ( -0.051 0.000 0.000) 0.051 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 13.493 0.000 0.000) 13.493 0.622 ( 12.103 0.000 0.000) 12.103 0.723 ( 14.998 0.000 0.000) 14.998 1.175 ( -0.041 0.000 0.000) 0.041 1.381 ( -3.606 0.000 0.000) 3.606 1.478 ( 20.277 0.000 0.000) 20.277 1.736 ( -5.309 0.000 0.000) 5.309 1.952 ( 32.838 0.000 0.000) 32.838 2.315 ( 3.830 0.000 0.000) 3.830 2.421 ( -1.497 0.000 0.000) 1.497 2.634 ( -5.422 0.000 0.000) 5.422 2.883 ( -12.842 0.000 0.000) 12.842 3.048 ( -4.824 0.000 0.000) 4.824 3.569 ( 9.611 0.000 0.000) 9.611 3.992 ( 4.570 0.000 0.000) 4.570 4.157 ( -0.117 0.000 0.000) 0.117 4.585 ( -6.223 0.000 0.000) 6.223 5.456 ( -14.910 0.000 0.000) 14.910 5.570 ( 2.732 0.000 0.000) 2.732 6.246 ( -13.588 0.000 0.000) 13.588 9.129 ( 1.107 0.000 0.000) 1.107 9.210 ( -0.543 0.000 0.000) 0.543 9.533 ( 3.968 0.000 0.000) 3.968 9.822 ( -1.610 0.000 0.000) 1.610 11.504 ( 6.208 0.000 0.000) 6.208 11.878 ( -4.523 0.000 0.000) 4.523 13.296 ( 8.345 0.000 0.000) 8.345 14.160 ( -9.807 0.000 0.000) 9.807 15.331 ( 4.387 0.000 0.000) 4.387 15.420 ( -0.011 0.000 0.000) 0.011 15.844 ( 21.067 0.000 0.000) 21.067 17.199 ( 0.082 0.000 0.000) 0.082 17.202 ( 0.009 0.000 0.000) 0.009 17.469 ( -12.870 0.000 0.000) 12.870 20.211 ( -0.059 0.000 0.000) 0.059 20.212 ( -0.073 0.000 0.000) 0.073 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 9.326 0.000 0.000) 9.326 0.831 ( 8.968 0.000 0.000) 8.968 0.984 ( 12.816 0.000 0.000) 12.816 1.172 ( -0.148 0.000 0.000) 0.148 1.295 ( -5.214 0.000 0.000) 5.214 1.468 ( -11.230 0.000 0.000) 11.230 1.927 ( 17.492 0.000 0.000) 17.492 2.405 ( 0.223 0.000 0.000) 0.223 2.450 ( 4.929 0.000 0.000) 4.929 2.525 ( -5.507 0.000 0.000) 5.507 2.593 ( 26.602 0.000 0.000) 26.602 2.634 ( -9.522 0.000 0.000) 9.522 2.984 ( 2.151 0.000 0.000) 2.151 3.619 ( -5.928 0.000 0.000) 5.928 4.078 ( 4.099 0.000 0.000) 4.099 4.159 ( 0.093 0.000 0.000) 0.093 4.527 ( 1.974 0.000 0.000) 1.974 5.099 ( -21.127 0.000 0.000) 21.127 5.643 ( 5.534 0.000 0.000) 5.534 5.997 ( -12.008 0.000 0.000) 12.008 9.153 ( 1.277 0.000 0.000) 1.277 9.196 ( -0.880 0.000 0.000) 0.880 9.616 ( 4.541 0.000 0.000) 4.541 9.776 ( -3.230 0.000 0.000) 3.230 11.624 ( 5.980 0.000 0.000) 5.980 11.802 ( -3.662 0.000 0.000) 3.662 13.480 ( 10.746 0.000 0.000) 10.746 13.945 ( -12.238 0.000 0.000) 12.238 15.383 ( 1.703 0.000 0.000) 1.703 15.417 ( -0.315 0.000 0.000) 0.315 16.304 ( 25.209 0.000 0.000) 25.209 17.169 ( -18.296 0.000 0.000) 18.296 17.200 ( 0.080 0.000 0.000) 0.080 17.202 ( -0.016 0.000 0.000) 0.016 20.210 ( -0.038 0.000 0.000) 0.038 20.211 ( -0.056 0.000 0.000) 0.056 ======================= Grid point 4 (5/160) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.926 0.000 0.000) 0.926 0.919 ( 0.926 0.000 0.000) 0.926 1.199 ( -3.773 0.000 0.000) 3.773 1.199 ( 3.773 0.000 0.000) 3.773 1.230 ( -12.864 0.000 0.000) 12.864 1.230 ( 12.864 0.000 0.000) 12.864 2.258 ( -16.468 0.000 0.000) 16.468 2.258 ( 16.468 0.000 0.000) 16.468 2.438 ( -3.274 0.000 0.000) 3.274 2.438 ( 3.274 0.000 0.000) 3.274 2.700 ( -6.550 0.000 0.000) 6.550 2.700 ( 6.550 0.000 0.000) 6.550 3.326 ( -22.940 0.000 0.000) 22.940 3.326 ( 22.940 0.000 0.000) 22.940 4.140 ( -2.184 0.000 0.000) 2.184 4.140 ( 2.184 0.000 0.000) 2.184 4.714 ( -16.826 0.000 0.000) 16.826 4.714 ( 16.826 0.000 0.000) 16.826 5.789 ( -9.459 0.000 0.000) 9.459 5.789 ( 9.459 0.000 0.000) 9.459 9.177 ( -1.168 0.000 0.000) 1.168 9.177 ( 1.168 0.000 0.000) 1.168 9.702 ( -4.289 0.000 0.000) 4.289 9.702 ( 4.289 0.000 0.000) 4.289 11.726 ( -4.525 0.000 0.000) 4.525 11.726 ( 4.525 0.000 0.000) 4.525 13.704 ( -12.406 0.000 0.000) 12.406 13.704 ( 12.406 0.000 0.000) 12.406 15.406 ( -0.823 0.000 0.000) 0.823 15.406 ( 0.823 0.000 0.000) 0.823 16.771 ( -22.888 0.000 0.000) 22.888 16.771 ( 22.888 0.000 0.000) 22.888 17.202 ( -0.052 0.000 0.000) 0.052 17.202 ( 0.052 0.000 0.000) 0.052 20.210 ( -0.010 0.000 0.000) 0.010 20.210 ( 0.010 0.000 0.000) 0.010 ======================= Grid point 9 (6/160) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 0.000 14.210 0.000) 14.210 0.374 ( 0.000 20.482 0.000) 20.482 0.774 ( 0.000 29.375 0.000) 29.375 1.063 ( 0.000 43.883 0.000) 43.883 1.341 ( 0.000 14.996 0.000) 14.996 1.403 ( 0.000 3.288 0.000) 3.288 1.580 ( 0.000 11.509 0.000) 11.509 1.917 ( 0.000 1.259 0.000) 1.259 2.489 ( 0.000 0.825 0.000) 0.825 3.044 ( 0.000 7.205 0.000) 7.205 3.115 ( 0.000 0.704 0.000) 0.704 3.137 ( 0.000 -2.167 0.000) 2.167 3.440 ( 0.000 39.878 0.000) 39.878 3.883 ( 0.000 0.450 0.000) 0.450 4.134 ( 0.000 -0.774 0.000) 0.774 4.644 ( 0.000 4.486 0.000) 4.486 4.713 ( 0.000 35.576 0.000) 35.576 4.846 ( 0.000 3.573 0.000) 3.573 5.455 ( 0.000 -0.178 0.000) 0.178 5.783 ( 0.000 -8.614 0.000) 8.614 9.381 ( 0.000 25.570 0.000) 25.570 9.435 ( 0.000 20.184 0.000) 20.184 9.488 ( 0.000 4.263 0.000) 4.263 9.871 ( 0.000 2.965 0.000) 2.965 11.334 ( 0.000 -2.551 0.000) 2.551 11.978 ( 0.000 -4.501 0.000) 4.501 13.044 ( 0.000 -6.105 0.000) 6.105 13.536 ( 0.000 -5.109 0.000) 5.109 15.023 ( 0.000 -6.123 0.000) 6.123 15.224 ( 0.000 -23.803 0.000) 23.803 15.288 ( 0.000 -12.435 0.000) 12.435 15.692 ( 0.000 -12.173 0.000) 12.173 17.508 ( 0.000 25.640 0.000) 25.640 19.964 ( 0.000 1.891 0.000) 1.891 20.204 ( 0.000 -0.922 0.000) 0.922 20.206 ( 0.000 -0.893 0.000) 0.893 ======================= Grid point 10 (7/160) ======================= q-point: ( 0.12 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 15.191 6.387 0.000) 16.479 0.814 ( 4.070 26.895 0.000) 27.201 0.838 ( 27.667 10.902 0.000) 29.737 1.102 ( 8.192 34.598 0.000) 35.555 1.343 ( 0.236 15.008 0.000) 15.010 1.499 ( 8.125 2.826 0.000) 8.602 1.606 ( 4.421 11.088 0.000) 11.937 1.881 ( -3.769 2.638 0.000) 4.600 2.381 ( -6.712 2.231 0.000) 7.073 3.013 ( -6.387 4.626 0.000) 7.887 3.082 ( -5.233 -0.298 0.000) 5.241 3.254 ( 12.057 6.841 0.000) 13.863 3.429 ( 0.168 37.653 0.000) 37.653 3.483 ( -25.075 56.883 0.000) 62.165 3.990 ( -0.403 13.180 0.000) 13.186 4.146 ( 0.796 -0.490 0.000) 0.935 4.758 ( -7.567 3.896 0.000) 8.511 5.483 ( 1.943 -1.943 0.000) 2.748 5.577 ( 3.565 -6.807 0.000) 7.685 5.883 ( 11.827 -29.488 0.000) 31.771 9.437 ( 0.270 20.413 0.000) 20.414 9.467 ( 4.075 19.514 0.000) 19.935 9.522 ( 2.608 13.068 0.000) 13.326 9.870 ( -0.213 3.242 0.000) 3.249 11.353 ( 3.195 -3.744 0.000) 4.922 11.930 ( -4.390 -4.092 0.000) 6.001 13.098 ( 5.231 -6.290 0.000) 8.181 13.863 ( 15.611 -25.663 0.000) 30.038 15.065 ( 2.718 -13.559 0.000) 13.829 15.170 ( -5.377 -16.208 0.000) 17.077 15.322 ( 11.156 -18.474 0.000) 21.581 16.079 ( 25.683 -30.977 0.000) 40.239 17.511 ( 0.333 25.794 0.000) 25.796 19.092 ( -51.766 39.673 0.000) 65.220 20.210 ( 0.602 -0.356 0.000) 0.700 20.308 ( 1.475 5.609 0.000) 5.799 ======================= Grid point 11 (8/160) ======================= q-point: ( 0.25 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 13.447 2.444 0.000) 13.667 0.923 ( 7.066 21.590 0.000) 22.717 1.064 ( 4.440 28.743 0.000) 29.083 1.353 ( 0.867 15.497 0.000) 15.521 1.464 ( 16.197 4.448 0.000) 16.797 1.527 ( -1.239 7.160 0.000) 7.266 1.756 ( -3.040 1.612 0.000) 3.442 2.003 ( 29.054 6.248 0.000) 29.718 2.334 ( 2.297 2.068 0.000) 3.090 2.830 ( -11.946 0.722 0.000) 11.967 2.983 ( -4.328 3.730 0.000) 5.714 3.229 ( -6.394 55.489 0.000) 55.856 3.341 ( -1.389 53.577 0.000) 53.595 3.547 ( 8.454 0.190 0.000) 8.456 4.029 ( 3.187 5.446 0.000) 6.310 4.149 ( -0.412 -0.750 0.000) 0.856 4.620 ( -5.752 3.897 0.000) 6.948 5.426 ( -14.150 -2.808 0.000) 14.426 5.511 ( 1.277 -4.758 0.000) 4.926 5.949 ( -3.374 -20.768 0.000) 21.040 9.445 ( 0.554 21.305 0.000) 21.312 9.519 ( 0.662 31.202 0.000) 31.209 9.561 ( 2.844 4.481 0.000) 5.308 9.855 ( -1.565 3.763 0.000) 4.075 11.451 ( 6.305 -4.821 0.000) 7.937 11.839 ( -4.521 -3.731 0.000) 5.861 13.229 ( 8.175 -6.570 0.000) 10.488 13.962 ( -2.885 -17.666 0.000) 17.900 15.100 ( 1.110 -20.696 0.000) 20.725 15.115 ( -1.031 -22.945 0.000) 22.968 15.638 ( 20.200 -16.738 0.000) 26.233 16.443 ( 11.558 -35.746 0.000) 37.569 17.523 ( 1.076 26.463 0.000) 26.484 18.329 ( -29.381 40.530 0.000) 50.059 20.227 ( 1.082 1.187 0.000) 1.606 20.313 ( -0.446 7.467 0.000) 7.480 ======================= Grid point 12 (9/160) ======================= q-point: ( 0.38 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 10.985 4.217 0.000) 11.766 1.069 ( 7.556 14.869 0.000) 16.678 1.126 ( 1.884 22.473 0.000) 22.552 1.380 ( 2.032 16.785 0.000) 16.908 1.419 ( -7.920 5.498 0.000) 9.641 1.534 ( -5.683 10.277 0.000) 11.744 1.906 ( 15.940 -0.760 0.000) 15.958 2.414 ( 1.095 -0.387 0.000) 1.161 2.584 ( 23.383 0.348 0.000) 23.386 2.603 ( -7.574 -1.508 0.000) 7.723 2.935 ( 2.787 1.059 0.000) 2.981 3.176 ( 1.094 58.547 0.000) 58.557 3.283 ( -4.510 60.853 0.000) 61.020 3.594 ( -5.354 -1.141 0.000) 5.474 4.093 ( 3.144 2.314 0.000) 3.903 4.147 ( 0.225 -1.104 0.000) 1.127 4.572 ( 2.183 4.414 0.000) 4.924 5.093 ( -19.289 -0.283 0.000) 19.291 5.560 ( 4.459 -6.760 0.000) 8.099 5.833 ( -7.631 -12.342 0.000) 14.511 9.459 ( 0.883 23.244 0.000) 23.260 9.505 ( -1.321 30.538 0.000) 30.567 9.639 ( 4.661 2.930 0.000) 5.506 9.807 ( -3.405 3.992 0.000) 5.247 11.574 ( 6.188 -4.684 0.000) 7.761 11.761 ( -3.891 -3.947 0.000) 5.542 13.408 ( 10.306 -7.095 0.000) 12.512 13.828 ( -9.810 -11.239 0.000) 14.918 15.111 ( 0.219 -24.875 0.000) 24.876 15.114 ( 0.375 -23.101 0.000) 23.104 16.041 ( 20.437 -21.526 0.000) 29.682 16.532 ( -1.971 -32.737 0.000) 32.796 17.560 ( 3.076 28.242 0.000) 28.409 17.894 ( -16.837 35.222 0.000) 39.039 20.250 ( 1.329 3.280 0.000) 3.539 20.298 ( -1.008 6.909 0.000) 6.982 ======================= Grid point 13 (10/160) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -3.613 15.716 0.000) 16.126 1.117 ( 3.613 15.716 0.000) 16.126 1.231 ( -10.274 3.372 0.000) 10.813 1.231 ( 10.274 3.372 0.000) 10.813 1.437 ( -4.055 16.784 0.000) 17.267 1.437 ( 4.055 16.784 0.000) 17.267 2.216 ( -15.562 -1.222 0.000) 15.610 2.216 ( 15.562 -1.222 0.000) 15.610 2.660 ( -6.204 -2.984 0.000) 6.885 2.660 ( 6.204 -2.984 0.000) 6.885 3.169 ( -8.627 47.800 0.000) 48.572 3.169 ( 8.627 47.800 0.000) 48.572 3.340 ( -17.774 13.284 0.000) 22.190 3.340 ( 17.774 13.284 0.000) 22.190 4.138 ( -1.420 0.296 0.000) 1.451 4.138 ( 1.420 0.296 0.000) 1.451 4.745 ( -15.226 3.233 0.000) 15.566 4.745 ( 15.226 3.233 0.000) 15.566 5.681 ( -7.678 -8.600 0.000) 11.529 5.681 ( 7.678 -8.600 0.000) 11.529 9.479 ( -1.228 26.415 0.000) 26.443 9.479 ( 1.228 26.415 0.000) 26.443 9.729 ( -4.572 3.709 0.000) 5.887 9.729 ( 4.572 3.709 0.000) 5.887 11.680 ( -4.752 -4.347 0.000) 6.440 11.680 ( 4.752 -4.347 0.000) 6.440 13.618 ( -11.380 -8.380 0.000) 14.133 13.618 ( 11.380 -8.380 0.000) 14.133 15.115 ( -0.145 -24.396 0.000) 24.397 15.115 ( 0.145 -24.396 0.000) 24.397 16.378 ( -13.637 -27.855 0.000) 31.014 16.378 ( 13.637 -27.855 0.000) 31.014 17.661 ( -8.053 31.487 0.000) 32.501 17.661 ( 8.053 31.487 0.000) 32.501 20.276 ( -1.295 5.359 0.000) 5.513 20.276 ( 1.295 5.359 0.000) 5.513 ======================= Grid point 18 (11/160) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 15.507 0.000) 15.507 0.818 ( 0.000 22.039 0.000) 22.039 1.317 ( 0.000 24.345 0.000) 24.345 1.373 ( 0.000 1.539 0.000) 1.539 1.712 ( 0.000 20.209 0.000) 20.209 1.811 ( 0.000 7.287 0.000) 7.287 1.890 ( 0.000 30.063 0.000) 30.063 2.014 ( 0.000 11.182 0.000) 11.182 2.543 ( 0.000 4.930 0.000) 4.930 3.068 ( 0.000 -0.974 0.000) 0.974 3.073 ( 0.000 -4.088 0.000) 4.088 3.118 ( 0.000 -0.454 0.000) 0.454 3.913 ( 0.000 2.523 0.000) 2.523 4.110 ( 0.000 -1.588 0.000) 1.588 4.260 ( 0.000 20.849 0.000) 20.849 4.809 ( 0.000 12.156 0.000) 12.156 5.256 ( 0.000 47.617 0.000) 47.617 5.491 ( 0.000 4.653 0.000) 4.653 5.567 ( 0.000 -11.560 0.000) 11.560 5.711 ( 0.000 59.580 0.000) 59.580 9.624 ( 0.000 9.165 0.000) 9.165 9.969 ( 0.000 6.778 0.000) 6.778 9.982 ( 0.000 31.750 0.000) 31.750 10.058 ( 0.000 38.534 0.000) 38.534 11.261 ( 0.000 -4.333 0.000) 4.333 11.849 ( 0.000 -7.904 0.000) 7.904 12.861 ( 0.000 -11.814 0.000) 11.814 13.387 ( 0.000 -9.323 0.000) 9.323 14.670 ( 0.000 -28.953 0.000) 28.953 14.854 ( 0.000 -9.993 0.000) 9.993 14.931 ( 0.000 -22.000 0.000) 22.000 15.351 ( 0.000 -20.363 0.000) 20.363 18.093 ( 0.000 29.433 0.000) 29.433 20.006 ( 0.000 1.831 0.000) 1.831 20.167 ( 0.000 -2.941 0.000) 2.941 20.168 ( 0.000 -3.132 0.000) 3.132 ======================= Grid point 19 (12/160) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 8.172 12.178 0.000) 14.666 1.067 ( 20.783 13.211 0.000) 24.627 1.332 ( 1.669 23.952 0.000) 24.010 1.477 ( 10.155 3.252 0.000) 10.663 1.716 ( 0.408 20.299 0.000) 20.303 1.780 ( -3.043 7.955 0.000) 8.517 1.839 ( -2.926 22.410 0.000) 22.601 2.061 ( 3.639 16.406 0.000) 16.804 2.458 ( -5.673 5.378 0.000) 7.817 3.027 ( -4.239 -3.772 0.000) 5.674 3.028 ( -7.935 -0.439 0.000) 7.947 3.237 ( 12.658 -2.658 0.000) 12.934 3.904 ( 0.106 4.797 0.000) 4.798 4.098 ( -0.268 -0.041 0.000) 0.271 4.342 ( 7.194 20.590 0.000) 21.811 4.772 ( -3.151 32.163 0.000) 32.317 5.168 ( -8.188 49.483 0.000) 50.155 5.483 ( -1.321 3.519 0.000) 3.759 5.511 ( -5.712 -9.645 0.000) 11.209 5.761 ( 3.014 36.324 0.000) 36.449 9.623 ( 0.558 8.602 0.000) 8.620 9.903 ( -3.208 14.176 0.000) 14.535 10.058 ( 4.151 24.562 0.000) 24.910 10.183 ( 9.085 37.817 0.000) 38.893 11.265 ( 1.264 -4.697 0.000) 4.864 11.812 ( -3.465 -7.182 0.000) 7.974 12.909 ( 4.773 -12.178 0.000) 13.080 13.462 ( 6.026 -15.910 0.000) 17.013 14.627 ( -2.635 -26.793 0.000) 26.922 14.807 ( -9.019 -20.198 0.000) 22.120 14.986 ( 11.446 -14.816 0.000) 18.722 15.526 ( 13.324 -26.800 0.000) 29.930 18.097 ( 0.516 29.431 0.000) 29.435 19.546 ( -31.313 12.400 0.000) 33.679 20.187 ( 1.948 -2.286 0.000) 3.003 20.352 ( 6.667 -1.370 0.000) 6.806 ======================= Grid point 20 (13/160) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 10.798 7.809 0.000) 13.326 1.385 ( 3.823 22.963 0.000) 23.279 1.436 ( 14.884 6.946 0.000) 16.425 1.646 ( -0.154 12.454 0.000) 12.455 1.704 ( -0.110 6.054 0.000) 6.055 1.732 ( 1.356 20.448 0.000) 20.493 1.854 ( 3.727 13.306 0.000) 13.818 2.212 ( 15.709 13.299 0.000) 20.583 2.396 ( -0.408 3.830 0.000) 3.852 2.819 ( -13.110 -0.962 0.000) 13.145 2.933 ( -5.034 -3.636 0.000) 6.209 3.458 ( 8.348 -4.567 0.000) 9.516 3.938 ( 3.227 6.258 0.000) 7.041 4.106 ( 0.635 -1.626 0.000) 1.746 4.504 ( 9.264 23.757 0.000) 25.500 4.710 ( -3.006 49.903 0.000) 49.993 4.983 ( -10.104 55.819 0.000) 56.726 5.356 ( -10.108 -2.847 0.000) 10.502 5.444 ( -1.886 0.124 0.000) 1.890 5.773 ( -2.039 14.835 0.000) 14.975 9.653 ( 2.417 6.890 0.000) 7.302 9.851 ( -2.236 10.738 0.000) 10.968 10.128 ( 3.025 28.816 0.000) 28.975 10.294 ( 1.770 40.295 0.000) 40.334 11.333 ( 5.569 -6.093 0.000) 8.255 11.734 ( -4.263 -6.228 0.000) 7.547 13.031 ( 7.646 -12.797 0.000) 14.907 13.546 ( 1.578 -21.167 0.000) 21.226 14.590 ( -1.261 -27.372 0.000) 27.401 14.657 ( -6.020 -21.781 0.000) 22.597 15.245 ( 14.806 -20.800 0.000) 25.532 15.749 ( 8.563 -33.512 0.000) 34.589 18.117 ( 1.728 29.513 0.000) 29.563 18.973 ( -26.488 23.856 0.000) 35.647 20.238 ( 3.279 -0.627 0.000) 3.338 20.418 ( 1.082 1.649 0.000) 1.972 ======================= Grid point 21 (14/160) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 11.540 5.851 0.000) 12.939 1.469 ( 4.575 21.713 0.000) 22.190 1.490 ( -10.005 3.623 0.000) 10.641 1.578 ( 0.216 19.888 0.000) 19.889 1.767 ( 2.269 20.316 0.000) 20.443 1.835 ( 3.607 14.778 0.000) 15.212 1.920 ( 9.731 4.628 0.000) 10.775 2.417 ( -0.783 0.645 0.000) 1.014 2.564 ( -10.113 -2.045 0.000) 10.318 2.581 ( 12.885 -0.644 0.000) 12.901 2.899 ( 7.362 -1.511 0.000) 7.515 3.496 ( -5.571 -5.336 0.000) 7.714 4.011 ( 3.896 4.806 0.000) 6.186 4.106 ( -0.802 -1.917 0.000) 2.078 4.669 ( -0.848 54.314 0.000) 54.321 4.684 ( 8.908 14.540 0.000) 17.052 4.811 ( -6.571 70.352 0.000) 70.659 5.138 ( -12.094 9.757 0.000) 15.539 5.450 ( 3.134 -1.270 0.000) 3.381 5.690 ( -6.147 6.050 0.000) 8.625 9.708 ( 3.117 5.565 0.000) 6.379 9.811 ( -2.091 7.428 0.000) 7.716 10.176 ( 2.262 33.820 0.000) 33.896 10.277 ( -2.536 40.672 0.000) 40.751 11.454 ( 6.409 -6.303 0.000) 8.989 11.653 ( -4.238 -6.020 0.000) 7.362 13.194 ( 9.089 -13.779 0.000) 16.507 13.509 ( -5.195 -19.228 0.000) 19.918 14.573 ( -0.648 -27.994 0.000) 28.001 14.581 ( -2.051 -25.275 0.000) 25.358 15.525 ( 13.618 -27.577 0.000) 30.756 15.830 ( -0.316 -35.533 0.000) 35.535 18.173 ( 4.435 29.762 0.000) 30.091 18.554 ( -17.189 28.525 0.000) 33.304 20.306 ( 3.604 1.289 0.000) 3.827 20.413 ( -1.413 2.931 0.000) 3.254 ======================= Grid point 22 (15/160) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -11.727 4.815 0.000) 12.677 1.276 ( 11.727 4.815 0.000) 12.677 1.546 ( -3.094 21.013 0.000) 21.239 1.546 ( 3.094 21.013 0.000) 21.239 1.814 ( -2.440 19.538 0.000) 19.690 1.814 ( 2.440 19.538 0.000) 19.690 2.200 ( -15.650 -0.315 0.000) 15.653 2.200 ( 15.650 -0.315 0.000) 15.653 2.583 ( -5.242 -3.989 0.000) 6.587 2.583 ( 5.242 -3.989 0.000) 6.587 3.242 ( -19.501 -3.206 0.000) 19.763 3.242 ( 19.501 -3.206 0.000) 19.763 4.074 ( -2.520 1.305 0.000) 2.838 4.074 ( 2.520 1.305 0.000) 2.838 4.688 ( -2.973 48.929 0.000) 49.019 4.688 ( 2.973 48.929 0.000) 49.019 4.909 ( -11.373 28.971 0.000) 31.123 4.909 ( 11.373 28.971 0.000) 31.123 5.556 ( -7.129 1.347 0.000) 7.255 5.556 ( 7.129 1.347 0.000) 7.255 9.766 ( -2.741 5.505 0.000) 6.150 9.766 ( 2.741 5.505 0.000) 6.150 10.223 ( -2.703 38.213 0.000) 38.308 10.223 ( 2.703 38.213 0.000) 38.308 11.565 ( -5.121 -6.152 0.000) 8.004 11.565 ( 5.121 -6.152 0.000) 8.004 13.369 ( -8.751 -15.885 0.000) 18.136 13.369 ( 8.751 -15.885 0.000) 18.136 14.565 ( -0.045 -27.523 0.000) 27.523 14.565 ( 0.045 -27.523 0.000) 27.523 15.743 ( -8.424 -33.158 0.000) 34.211 15.743 ( 8.424 -33.158 0.000) 34.211 18.302 ( -9.474 29.807 0.000) 31.276 18.302 ( 9.474 29.807 0.000) 31.276 20.370 ( -2.910 2.668 0.000) 3.948 20.370 ( 2.910 2.668 0.000) 3.948 ======================= Grid point 27 (16/160) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 14.860 0.000) 14.860 1.222 ( 0.000 16.644 0.000) 16.644 1.402 ( 0.000 1.591 0.000) 1.591 1.772 ( 0.000 20.220 0.000) 20.220 1.888 ( 0.000 2.525 0.000) 2.525 2.130 ( 0.000 20.167 0.000) 20.167 2.336 ( 0.000 17.788 0.000) 17.788 2.394 ( 0.000 19.909 0.000) 19.909 2.687 ( 0.000 8.677 0.000) 8.677 2.977 ( 0.000 -5.016 0.000) 5.016 3.027 ( 0.000 -3.210 0.000) 3.210 3.100 ( 0.000 -1.143 0.000) 1.143 3.984 ( 0.000 4.350 0.000) 4.350 4.069 ( 0.000 -2.359 0.000) 2.359 4.388 ( 0.000 -0.268 0.000) 0.268 5.078 ( 0.000 6.243 0.000) 6.243 5.416 ( 0.000 5.362 0.000) 5.362 5.682 ( 0.000 14.865 0.000) 14.865 6.521 ( 0.000 66.045 0.000) 66.045 7.006 ( 0.000 64.279 0.000) 64.279 9.862 ( 0.000 13.760 0.000) 13.760 10.151 ( 0.000 10.853 0.000) 10.853 10.660 ( 0.000 33.349 0.000) 33.349 10.862 ( 0.000 38.366 0.000) 38.366 11.180 ( 0.000 -2.412 0.000) 2.412 11.679 ( 0.000 -7.726 0.000) 7.726 12.569 ( 0.000 -16.563 0.000) 16.563 13.164 ( 0.000 -12.438 0.000) 12.438 14.080 ( 0.000 -28.493 0.000) 28.493 14.421 ( 0.000 -27.343 0.000) 27.343 14.636 ( 0.000 -10.965 0.000) 10.965 14.904 ( 0.000 -22.462 0.000) 22.462 18.649 ( 0.000 24.369 0.000) 24.369 20.023 ( 0.000 -0.424 0.000) 0.424 20.071 ( 0.000 -6.406 0.000) 6.406 20.078 ( 0.000 -5.870 0.000) 5.870 ======================= Grid point 28 (17/160) ======================= q-point: ( 0.12 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 4.515 13.695 0.000) 14.420 1.323 ( 9.323 10.303 0.000) 13.895 1.536 ( 13.085 3.480 0.000) 13.539 1.788 ( 1.674 20.502 0.000) 20.570 1.857 ( -3.003 3.398 0.000) 4.535 2.135 ( 0.510 20.208 0.000) 20.215 2.286 ( -3.326 19.778 0.000) 20.056 2.433 ( 2.605 17.570 0.000) 17.762 2.586 ( -7.111 6.564 0.000) 9.678 2.941 ( -3.421 -4.361 0.000) 5.543 3.015 ( -8.242 -0.757 0.000) 8.276 3.172 ( 10.952 -3.411 0.000) 11.470 3.989 ( 0.651 4.116 0.000) 4.167 4.059 ( -0.599 -2.650 0.000) 2.717 4.474 ( 7.900 0.114 0.000) 7.901 5.093 ( 0.680 1.600 0.000) 1.738 5.427 ( 1.345 9.766 0.000) 9.858 5.653 ( -2.845 14.829 0.000) 15.099 6.485 ( -3.375 67.560 0.000) 67.644 6.931 ( -7.175 64.771 0.000) 65.167 9.848 ( -0.905 13.152 0.000) 13.183 10.113 ( -3.426 10.673 0.000) 11.209 10.705 ( 4.135 32.998 0.000) 33.256 10.965 ( 8.598 37.112 0.000) 38.095 11.183 ( 0.812 -2.134 0.000) 2.283 11.660 ( -1.866 -6.668 0.000) 6.924 12.609 ( 4.029 -17.001 0.000) 17.472 13.153 ( -1.042 -15.064 0.000) 15.100 14.061 ( -1.637 -27.790 0.000) 27.838 14.345 ( -6.639 -24.826 0.000) 25.698 14.694 ( 5.578 -13.683 0.000) 14.776 14.977 ( 6.096 -26.197 0.000) 26.896 18.653 ( 0.427 24.294 0.000) 24.298 19.710 ( -19.297 4.453 0.000) 19.804 20.108 ( 2.990 -5.532 0.000) 6.288 20.268 ( 8.109 -6.441 0.000) 10.356 ======================= Grid point 29 (18/160) ======================= q-point: ( 0.25 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 7.855 11.396 0.000) 13.841 1.542 ( 12.628 4.683 0.000) 13.468 1.730 ( -2.519 0.979 0.000) 2.703 1.836 ( 3.256 20.708 0.000) 20.962 1.874 ( 11.756 8.193 0.000) 14.329 2.151 ( 1.198 20.096 0.000) 20.131 2.235 ( -1.688 19.701 0.000) 19.773 2.477 ( -3.718 3.917 0.000) 5.401 2.495 ( 4.575 13.725 0.000) 14.468 2.800 ( -13.480 -0.828 0.000) 13.505 2.863 ( -3.880 -3.027 0.000) 4.921 3.354 ( 6.341 -5.359 0.000) 8.302 4.011 ( 1.611 2.718 0.000) 3.160 4.054 ( 0.087 -2.882 0.000) 2.883 4.648 ( 9.330 0.837 0.000) 9.367 5.077 ( -2.479 -2.569 0.000) 3.570 5.467 ( 2.394 15.509 0.000) 15.692 5.585 ( -3.776 14.712 0.000) 15.188 6.417 ( -2.883 70.912 0.000) 70.971 6.765 ( -9.262 65.583 0.000) 66.234 9.842 ( 0.459 11.440 0.000) 11.449 10.039 ( -3.924 9.802 0.000) 10.558 10.795 ( 4.817 32.573 0.000) 32.928 11.066 ( 0.363 28.113 0.000) 28.115 11.265 ( 7.756 6.646 0.000) 10.214 11.615 ( -2.712 -4.208 0.000) 5.006 12.715 ( 6.738 -17.886 0.000) 19.113 13.126 ( -1.799 -20.126 0.000) 20.206 14.030 ( -1.384 -27.065 0.000) 27.100 14.208 ( -7.004 -22.666 0.000) 23.724 14.828 ( 7.732 -19.407 0.000) 20.890 15.085 ( 4.373 -30.774 0.000) 31.084 18.670 ( 1.597 24.059 0.000) 24.111 19.342 ( -18.077 13.028 0.000) 22.282 20.185 ( 4.770 -4.768 0.000) 6.745 20.372 ( 3.036 -5.820 0.000) 6.565 ======================= Grid point 30 (19/160) ======================= q-point: ( 0.38 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 9.740 9.286 0.000) 13.457 1.581 ( -8.320 5.394 0.000) 9.916 1.820 ( 12.442 3.752 0.000) 12.995 1.904 ( 3.401 19.909 0.000) 20.197 2.044 ( 4.867 11.308 0.000) 12.311 2.179 ( 1.636 19.498 0.000) 19.566 2.224 ( -0.058 17.746 0.000) 17.747 2.438 ( -2.713 1.546 0.000) 3.122 2.531 ( -11.735 -0.968 0.000) 11.775 2.582 ( 0.647 2.262 0.000) 2.353 2.882 ( 9.513 -0.782 0.000) 9.545 3.368 ( -5.467 -6.940 0.000) 8.835 4.044 ( 1.577 0.779 0.000) 1.759 4.061 ( 0.507 -2.086 0.000) 2.147 4.807 ( 6.948 1.869 0.000) 7.195 5.008 ( -4.316 -0.526 0.000) 4.348 5.502 ( 1.045 16.392 0.000) 16.425 5.527 ( -1.920 14.606 0.000) 14.731 6.399 ( 1.269 72.596 0.000) 72.607 6.596 ( -8.024 67.345 0.000) 67.821 9.865 ( 1.846 9.747 0.000) 9.920 9.969 ( -3.371 8.920 0.000) 9.536 10.883 ( 4.338 31.845 0.000) 32.139 11.031 ( -3.042 26.620 0.000) 26.794 11.406 ( 6.120 8.232 0.000) 10.258 11.560 ( -2.934 -0.941 0.000) 3.081 12.855 ( 7.404 -19.163 0.000) 20.544 13.078 ( -3.513 -22.504 0.000) 22.776 14.014 ( -0.155 -26.451 0.000) 26.451 14.092 ( -4.747 -23.063 0.000) 23.546 14.973 ( 7.015 -25.470 0.000) 26.418 15.128 ( -0.089 -32.239 0.000) 32.239 18.722 ( 4.052 23.505 0.000) 23.852 19.039 ( -13.229 19.000 0.000) 23.151 20.280 ( 4.770 -4.111 0.000) 6.297 20.395 ( -0.517 -4.658 0.000) 4.687 ======================= Grid point 31 (20/160) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -10.059 7.330 0.000) 12.446 1.399 ( 10.059 7.330 0.000) 12.446 1.947 ( -0.008 16.510 0.000) 16.510 1.947 ( 0.008 16.510 0.000) 16.510 2.200 ( -6.368 11.027 0.000) 12.734 2.200 ( 6.368 11.027 0.000) 12.734 2.219 ( -5.964 9.255 0.000) 11.010 2.219 ( 5.964 9.255 0.000) 11.010 2.524 ( -4.066 -0.700 0.000) 4.126 2.524 ( 4.066 -0.700 0.000) 4.126 3.159 ( -15.095 -4.895 0.000) 15.868 3.159 ( 15.095 -4.895 0.000) 15.868 4.064 ( -0.401 -0.787 0.000) 0.883 4.064 ( 0.401 -0.787 0.000) 0.883 4.919 ( -5.011 1.898 0.000) 5.359 4.919 ( 5.011 1.898 0.000) 5.359 5.511 ( -0.198 15.254 0.000) 15.255 5.511 ( 0.198 15.254 0.000) 15.255 6.465 ( -5.401 70.538 0.000) 70.744 6.465 ( 5.401 70.538 0.000) 70.744 9.910 ( -2.724 8.826 0.000) 9.237 9.910 ( 2.724 8.826 0.000) 9.237 10.963 ( -3.924 29.871 0.000) 30.127 10.963 ( 3.924 29.871 0.000) 30.127 11.498 ( -3.739 3.504 0.000) 5.125 11.498 ( 3.739 3.504 0.000) 5.125 12.986 ( -5.994 -21.206 0.000) 22.036 12.986 ( 5.994 -21.206 0.000) 22.036 14.029 ( -1.896 -24.977 0.000) 25.049 14.029 ( 1.896 -24.977 0.000) 25.049 15.084 ( -4.281 -30.205 0.000) 30.507 15.084 ( 4.281 -30.205 0.000) 30.507 18.836 ( -8.035 22.130 0.000) 23.544 18.836 ( 8.035 22.130 0.000) 23.544 20.358 ( -3.176 -4.015 0.000) 5.119 20.358 ( 3.176 -4.015 0.000) 5.119 ======================= Grid point 36 (21/160) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.000 14.465 0.000) 14.465 1.440 ( 0.000 2.084 0.000) 2.084 1.478 ( 0.000 8.525 0.000) 8.525 1.948 ( 0.000 3.537 0.000) 3.537 2.126 ( 0.000 13.847 0.000) 13.847 2.510 ( 0.000 16.508 0.000) 16.508 2.675 ( 0.000 4.661 0.000) 4.661 2.690 ( 0.000 16.379 0.000) 16.379 2.869 ( 0.000 8.630 0.000) 8.630 2.921 ( 0.000 2.932 0.000) 2.932 2.941 ( 0.000 -4.624 0.000) 4.624 3.081 ( 0.000 -0.583 0.000) 0.583 4.020 ( 0.000 -2.228 0.000) 2.228 4.086 ( 0.000 5.465 0.000) 5.465 4.359 ( 0.000 -2.034 0.000) 2.034 4.948 ( 0.000 -11.090 0.000) 11.090 5.904 ( 0.000 34.246 0.000) 34.246 6.110 ( 0.000 26.996 0.000) 26.996 7.749 ( 0.000 51.945 0.000) 51.945 8.208 ( 0.000 50.905 0.000) 50.905 10.124 ( 0.000 9.415 0.000) 9.415 10.362 ( 0.000 7.435 0.000) 7.435 11.265 ( 0.000 14.570 0.000) 14.570 11.285 ( 0.000 26.760 0.000) 26.760 11.547 ( 0.000 27.224 0.000) 27.224 11.619 ( 0.000 5.198 0.000) 5.198 12.199 ( 0.000 -19.236 0.000) 19.236 12.882 ( 0.000 -15.286 0.000) 15.286 13.525 ( 0.000 -25.625 0.000) 25.625 13.848 ( 0.000 -28.116 0.000) 28.116 14.418 ( 0.000 -10.460 0.000) 10.460 14.482 ( 0.000 -17.958 0.000) 17.958 19.066 ( 0.000 16.352 0.000) 16.352 19.912 ( 0.000 -8.874 0.000) 8.874 19.932 ( 0.000 -8.256 0.000) 8.256 19.981 ( 0.000 -3.772 0.000) 3.772 ======================= Grid point 37 (22/160) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 3.135 14.068 0.000) 14.413 1.464 ( 4.890 4.225 0.000) 6.462 1.616 ( 10.628 3.641 0.000) 11.234 1.939 ( -0.475 4.564 0.000) 4.589 2.145 ( 1.882 13.704 0.000) 13.833 2.516 ( 0.624 16.635 0.000) 16.646 2.634 ( -2.608 10.803 0.000) 11.113 2.702 ( -9.231 4.617 0.000) 10.322 2.719 ( 1.444 10.280 0.000) 10.381 2.897 ( -2.441 3.420 0.000) 4.201 2.997 ( -7.844 -0.967 0.000) 7.904 3.117 ( 9.228 -1.511 0.000) 9.351 4.006 ( -0.845 -2.237 0.000) 2.392 4.079 ( -0.555 4.781 0.000) 4.813 4.444 ( 7.752 -2.542 0.000) 8.159 4.954 ( 0.413 -9.935 0.000) 9.944 5.917 ( 1.235 32.868 0.000) 32.892 6.088 ( -2.181 27.481 0.000) 27.567 7.732 ( -1.586 52.325 0.000) 52.349 8.146 ( -6.102 51.129 0.000) 51.492 10.103 ( -1.803 9.499 0.000) 9.668 10.320 ( -3.957 7.446 0.000) 8.432 11.272 ( 0.687 14.765 0.000) 14.781 11.319 ( 2.855 26.076 0.000) 26.232 11.624 ( 0.672 6.081 0.000) 6.118 11.629 ( 7.668 26.124 0.000) 27.226 12.232 ( 3.370 -19.387 0.000) 19.678 12.834 ( -4.707 -16.360 0.000) 17.023 13.518 ( -0.695 -25.187 0.000) 25.197 13.815 ( -3.319 -26.587 0.000) 26.794 14.435 ( 1.674 -11.783 0.000) 11.901 14.502 ( 1.808 -19.533 0.000) 19.617 19.068 ( 0.265 16.294 0.000) 16.296 19.739 ( -11.206 -1.314 0.000) 11.282 19.964 ( 3.226 -8.339 0.000) 8.941 20.106 ( 6.436 -9.100 0.000) 11.146 ======================= Grid point 38 (23/160) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 5.934 12.951 0.000) 14.246 1.623 ( 11.050 2.923 0.000) 11.430 1.763 ( 1.114 2.355 0.000) 2.605 1.997 ( 8.690 4.224 0.000) 9.663 2.188 ( 2.248 12.330 0.000) 12.533 2.528 ( -0.383 15.675 0.000) 15.680 2.565 ( -3.602 6.334 0.000) 7.286 2.588 ( -1.872 12.798 0.000) 12.934 2.746 ( 1.677 8.972 0.000) 9.127 2.788 ( -13.174 -0.260 0.000) 13.177 2.833 ( -3.710 3.496 0.000) 5.097 3.247 ( 3.282 -5.061 0.000) 6.032 4.004 ( 0.814 -1.663 0.000) 1.852 4.070 ( -0.292 3.302 0.000) 3.315 4.613 ( 9.068 -3.676 0.000) 9.784 4.957 ( -0.301 -7.529 0.000) 7.535 5.944 ( 1.338 30.242 0.000) 30.272 6.036 ( -2.930 28.559 0.000) 28.709 7.702 ( -1.154 52.844 0.000) 52.857 8.000 ( -8.308 51.292 0.000) 51.961 10.072 ( -1.042 9.256 0.000) 9.314 10.232 ( -4.700 7.386 0.000) 8.755 11.291 ( 1.221 15.177 0.000) 15.226 11.365 ( 1.421 22.977 0.000) 23.021 11.655 ( 2.872 10.036 0.000) 10.439 11.789 ( 7.531 25.390 0.000) 26.483 12.322 ( 5.777 -19.741 0.000) 20.569 12.719 ( -6.633 -19.851 0.000) 20.930 13.504 ( -0.563 -24.298 0.000) 24.305 13.731 ( -5.137 -23.964 0.000) 24.508 14.476 ( 2.408 -14.958 0.000) 15.150 14.538 ( 1.700 -22.009 0.000) 22.075 19.080 ( 1.140 16.026 0.000) 16.067 19.523 ( -10.905 5.140 0.000) 12.055 20.046 ( 4.971 -8.613 0.000) 9.945 20.201 ( 3.415 -10.462 0.000) 11.005 ======================= Grid point 39 (24/160) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 7.609 11.224 0.000) 13.560 1.698 ( -5.668 5.569 0.000) 7.946 1.872 ( 14.030 2.735 0.000) 14.294 2.173 ( 6.972 1.339 0.000) 7.100 2.213 ( -0.132 8.059 0.000) 8.060 2.481 ( -7.069 5.239 0.000) 8.799 2.529 ( -7.121 7.036 0.000) 10.011 2.564 ( -0.993 14.508 0.000) 14.542 2.581 ( 1.796 12.647 0.000) 12.774 2.725 ( -4.480 10.988 0.000) 11.866 2.852 ( 7.337 -1.658 0.000) 7.522 3.221 ( -5.885 -7.300 0.000) 9.377 4.033 ( 1.821 -0.441 0.000) 1.874 4.068 ( -0.054 1.861 0.000) 1.862 4.771 ( 7.014 -4.538 0.000) 8.354 4.936 ( -1.942 -5.623 0.000) 5.949 5.962 ( 0.495 28.753 0.000) 28.758 5.988 ( -1.826 29.204 0.000) 29.261 7.699 ( 1.107 52.563 0.000) 52.575 7.851 ( -6.786 51.269 0.000) 51.716 10.068 ( 0.606 8.608 0.000) 8.629 10.151 ( -3.642 7.472 0.000) 8.312 11.317 ( 1.512 15.776 0.000) 15.848 11.370 ( -0.724 18.962 0.000) 18.975 11.734 ( 5.055 16.151 0.000) 16.923 11.876 ( 0.950 25.581 0.000) 25.598 12.436 ( 5.609 -20.791 0.000) 21.534 12.605 ( -4.850 -23.777 0.000) 24.267 13.504 ( 0.888 -23.429 0.000) 23.446 13.629 ( -5.158 -22.530 0.000) 23.113 14.521 ( 2.096 -18.549 0.000) 18.667 14.559 ( 0.370 -22.796 0.000) 22.799 19.117 ( 2.923 15.254 0.000) 15.531 19.334 ( -8.581 10.244 0.000) 13.362 20.142 ( 4.647 -9.099 0.000) 10.217 20.236 ( 0.300 -10.358 0.000) 10.363 ======================= Grid point 40 (25/160) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -7.584 8.863 0.000) 11.664 1.567 ( 7.584 8.863 0.000) 11.664 2.134 ( -10.917 3.048 0.000) 11.335 2.134 ( 10.917 3.048 0.000) 11.335 2.272 ( -6.205 1.929 0.000) 6.498 2.272 ( 6.205 1.929 0.000) 6.498 2.536 ( -1.899 13.658 0.000) 13.789 2.536 ( 1.899 13.658 0.000) 13.789 2.639 ( -3.944 12.374 0.000) 12.987 2.639 ( 3.944 12.374 0.000) 12.987 3.046 ( -11.150 -5.872 0.000) 12.602 3.046 ( 11.150 -5.872 0.000) 12.602 4.061 ( -0.892 0.672 0.000) 1.117 4.061 ( 0.892 0.672 0.000) 1.117 4.878 ( -4.208 -4.865 0.000) 6.432 4.878 ( 4.208 -4.865 0.000) 6.432 5.968 ( -0.411 28.882 0.000) 28.885 5.968 ( 0.411 28.882 0.000) 28.885 7.748 ( -3.936 51.716 0.000) 51.865 7.748 ( 3.936 51.716 0.000) 51.865 10.095 ( -2.179 7.914 0.000) 8.208 10.095 ( 2.179 7.914 0.000) 8.208 11.347 ( -1.483 16.791 0.000) 16.857 11.347 ( 1.483 16.791 0.000) 16.857 11.833 ( -4.593 22.002 0.000) 22.476 11.833 ( 4.593 22.002 0.000) 22.476 12.527 ( -3.912 -23.141 0.000) 23.469 12.527 ( 3.912 -23.141 0.000) 23.469 13.545 ( -3.355 -22.640 0.000) 22.888 13.545 ( 3.355 -22.640 0.000) 22.888 14.552 ( -1.068 -21.445 0.000) 21.472 14.552 ( 1.068 -21.445 0.000) 21.472 19.198 ( -5.566 13.509 0.000) 14.610 19.198 ( 5.566 13.509 0.000) 14.610 20.213 ( -2.615 -9.746 0.000) 10.091 20.213 ( 2.615 -9.746 0.000) 10.091 ======================= Grid point 45 (26/160) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.000 14.089 0.000) 14.089 1.485 ( 0.000 2.336 0.000) 2.336 1.586 ( 0.000 2.620 0.000) 2.620 2.035 ( 0.000 5.001 0.000) 5.001 2.296 ( 0.000 1.811 0.000) 1.811 2.609 ( 0.000 -6.987 0.000) 6.987 2.783 ( 0.000 10.038 0.000) 10.038 2.882 ( 0.000 -0.082 0.000) 0.082 2.984 ( 0.000 12.187 0.000) 12.187 3.025 ( 0.000 6.449 0.000) 6.449 3.078 ( 0.000 0.345 0.000) 0.345 3.080 ( 0.000 8.714 0.000) 8.714 3.993 ( 0.000 -0.090 0.000) 0.090 4.200 ( 0.000 5.602 0.000) 5.602 4.307 ( 0.000 -3.175 0.000) 3.175 4.730 ( 0.000 -9.882 0.000) 9.882 6.684 ( 0.000 41.012 0.000) 41.012 6.759 ( 0.000 35.794 0.000) 35.794 8.558 ( 0.000 25.662 0.000) 25.662 8.954 ( 0.000 18.589 0.000) 18.589 10.250 ( 0.000 7.966 0.000) 7.966 10.388 ( 0.000 -2.751 0.000) 2.751 11.608 ( 0.000 -6.523 0.000) 6.523 11.834 ( 0.000 38.615 0.000) 38.615 11.912 ( 0.000 6.734 0.000) 6.734 11.917 ( 0.000 3.171 0.000) 3.171 11.988 ( 0.000 29.793 0.000) 29.793 12.559 ( 0.000 -14.408 0.000) 14.408 13.049 ( 0.000 -20.784 0.000) 20.784 13.306 ( 0.000 -24.337 0.000) 24.337 14.186 ( 0.000 -11.872 0.000) 11.872 14.197 ( 0.000 -11.987 0.000) 11.987 19.319 ( 0.000 8.778 0.000) 8.778 19.732 ( 0.000 -8.089 0.000) 8.089 19.757 ( 0.000 -8.395 0.000) 8.395 19.873 ( 0.000 -6.572 0.000) 6.572 ======================= Grid point 46 (27/160) ======================= q-point: ( 0.12 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 2.509 13.847 0.000) 14.073 1.529 ( 4.846 2.645 0.000) 5.521 1.664 ( 7.042 0.972 0.000) 7.109 2.040 ( 0.759 5.421 0.000) 5.474 2.301 ( 0.352 0.936 0.000) 1.000 2.609 ( 0.117 -6.408 0.000) 6.410 2.775 ( -2.374 7.219 0.000) 7.599 2.814 ( -2.559 8.214 0.000) 8.604 2.976 ( -0.863 12.030 0.000) 12.061 2.990 ( -7.011 0.796 0.000) 7.056 3.064 ( -1.644 8.955 0.000) 9.104 3.112 ( 4.103 0.611 0.000) 4.148 3.984 ( -0.229 0.498 0.000) 0.548 4.183 ( -1.479 5.405 0.000) 5.604 4.375 ( 6.196 -4.242 0.000) 7.509 4.753 ( 2.072 -9.420 0.000) 9.645 6.673 ( -1.035 40.043 0.000) 40.057 6.744 ( -1.535 35.905 0.000) 35.938 8.538 ( -1.990 25.008 0.000) 25.087 8.886 ( -6.666 18.198 0.000) 19.380 10.242 ( -0.722 8.697 0.000) 8.727 10.362 ( -2.534 -1.303 0.000) 2.849 11.629 ( 2.148 -7.940 0.000) 8.226 11.837 ( 0.407 37.032 0.000) 37.034 11.955 ( 2.542 10.624 0.000) 10.924 11.965 ( 4.971 5.367 0.000) 7.315 11.991 ( 1.566 23.029 0.000) 23.082 12.512 ( -4.792 -12.681 0.000) 13.556 13.049 ( -0.006 -20.515 0.000) 20.515 13.294 ( -1.356 -23.705 0.000) 23.743 14.188 ( 0.211 -12.208 0.000) 12.210 14.199 ( 0.194 -12.225 0.000) 12.226 19.320 ( 0.199 8.805 0.000) 8.807 19.674 ( -4.848 -4.379 0.000) 6.533 19.785 ( 2.707 -8.786 0.000) 9.193 19.915 ( 3.194 -9.264 0.000) 9.799 ======================= Grid point 47 (28/160) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 4.568 12.987 0.000) 13.767 1.667 ( 8.874 1.828 0.000) 9.061 1.804 ( 6.282 0.936 0.000) 6.352 2.079 ( 3.743 4.596 0.000) 5.927 2.294 ( -1.377 -1.025 0.000) 1.717 2.622 ( 1.624 -5.035 0.000) 5.291 2.715 ( -1.783 8.843 0.000) 9.021 2.779 ( -8.668 2.322 0.000) 8.973 2.837 ( -2.089 10.044 0.000) 10.259 2.953 ( -1.484 11.465 0.000) 11.560 3.019 ( -2.883 9.638 0.000) 10.060 3.153 ( -0.617 -4.043 0.000) 4.090 4.001 ( 2.048 1.629 0.000) 2.616 4.154 ( -1.417 5.022 0.000) 5.218 4.511 ( 7.416 -6.163 0.000) 9.642 4.791 ( 1.405 -8.609 0.000) 8.723 6.650 ( -1.163 37.850 0.000) 37.868 6.705 ( -2.329 36.018 0.000) 36.093 8.492 ( -2.436 23.101 0.000) 23.229 8.726 ( -9.097 17.476 0.000) 19.702 10.228 ( -0.595 9.611 0.000) 9.630 10.306 ( -2.942 1.867 0.000) 3.485 11.690 ( 4.338 -9.787 0.000) 10.705 11.851 ( 1.039 36.239 0.000) 36.254 11.956 ( -1.033 28.567 0.000) 28.585 12.074 ( 5.424 -2.959 0.000) 6.179 12.090 ( 6.686 5.705 0.000) 8.789 12.387 ( -7.737 -6.010 0.000) 9.797 13.051 ( 0.313 -19.872 0.000) 19.875 13.253 ( -2.925 -22.150 0.000) 22.343 14.194 ( 0.340 -12.940 0.000) 12.944 14.203 ( 0.225 -12.795 0.000) 12.797 19.329 ( 0.752 8.738 0.000) 8.771 19.572 ( -5.412 0.350 0.000) 5.423 19.853 ( 4.107 -9.779 0.000) 10.607 19.971 ( 2.381 -11.424 0.000) 11.670 ======================= Grid point 48 (29/160) ======================= q-point: ( 0.38 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 5.351 11.237 0.000) 12.446 1.787 ( 0.964 3.192 0.000) 3.335 1.941 ( 10.500 3.064 0.000) 10.938 2.177 ( 5.551 0.976 0.000) 5.636 2.249 ( -3.261 -2.172 0.000) 3.919 2.532 ( -13.758 2.300 0.000) 13.949 2.685 ( 4.856 -3.427 0.000) 5.944 2.726 ( 1.825 9.193 0.000) 9.372 2.856 ( 1.882 11.635 0.000) 11.787 2.923 ( -1.328 9.750 0.000) 9.840 2.960 ( -2.983 10.406 0.000) 10.826 3.085 ( -6.064 -5.431 0.000) 8.141 4.053 ( 2.916 2.595 0.000) 3.904 4.130 ( -1.195 4.381 0.000) 4.541 4.645 ( 6.262 -7.509 0.000) 9.777 4.795 ( -1.151 -8.094 0.000) 8.176 6.633 ( -0.451 36.017 0.000) 36.020 6.662 ( -1.945 35.809 0.000) 35.861 8.458 ( -0.773 20.443 0.000) 20.458 8.567 ( -6.903 17.226 0.000) 18.558 10.222 ( 0.016 9.326 0.000) 9.326 10.257 ( -1.984 5.138 0.000) 5.508 11.798 ( 6.951 -9.952 0.000) 12.139 11.874 ( 1.333 35.818 0.000) 35.843 11.932 ( -1.320 28.674 0.000) 28.705 12.110 ( -4.265 -22.728 0.000) 23.124 12.209 ( 5.023 5.120 0.000) 7.172 12.270 ( -1.862 12.113 0.000) 12.255 13.067 ( 1.490 -19.311 0.000) 19.369 13.185 ( -3.930 -20.464 0.000) 20.838 14.200 ( 0.325 -13.538 0.000) 13.542 14.206 ( 0.070 -13.384 0.000) 13.384 19.352 ( 1.780 8.211 0.000) 8.402 19.475 ( -4.597 4.194 0.000) 6.223 19.930 ( 3.703 -10.956 0.000) 11.565 20.000 ( 0.445 -12.151 0.000) 12.160 ======================= Grid point 49 (30/160) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -4.118 8.239 0.000) 9.211 1.745 ( 4.118 8.239 0.000) 9.211 2.150 ( -8.543 -1.269 0.000) 8.637 2.150 ( 8.543 -1.269 0.000) 8.637 2.297 ( -8.897 2.378 0.000) 9.209 2.297 ( 8.897 2.378 0.000) 9.209 2.754 ( -0.404 4.328 0.000) 4.347 2.754 ( 0.404 4.328 0.000) 4.347 2.897 ( -2.228 11.046 0.000) 11.269 2.897 ( 2.228 11.046 0.000) 11.269 2.959 ( -4.997 0.395 0.000) 5.013 2.959 ( 4.997 0.395 0.000) 5.013 4.101 ( -1.971 3.476 0.000) 3.996 4.101 ( 1.971 3.476 0.000) 3.996 4.745 ( -3.990 -7.940 0.000) 8.886 4.745 ( 3.990 -7.940 0.000) 8.886 6.636 ( -0.730 35.505 0.000) 35.513 6.636 ( 0.730 35.505 0.000) 35.513 8.474 ( -2.723 18.177 0.000) 18.380 8.474 ( 2.723 18.177 0.000) 18.380 10.230 ( -0.877 7.740 0.000) 7.790 10.230 ( 0.877 7.740 0.000) 7.790 11.899 ( -0.871 36.676 0.000) 36.687 11.899 ( 0.871 36.676 0.000) 36.687 11.961 ( -8.397 -20.265 0.000) 21.935 11.961 ( 8.397 -20.265 0.000) 21.935 12.267 ( -0.917 7.646 0.000) 7.701 12.267 ( 0.917 7.646 0.000) 7.701 13.113 ( -3.276 -19.410 0.000) 19.684 13.113 ( 3.276 -19.410 0.000) 19.684 14.205 ( -0.161 -13.691 0.000) 13.692 14.205 ( 0.161 -13.691 0.000) 13.692 19.399 ( -3.183 6.802 0.000) 7.510 19.399 ( 3.183 6.802 0.000) 7.510 19.986 ( -1.885 -11.873 0.000) 12.022 19.986 ( 1.885 -11.873 0.000) 12.022 ======================= Grid point 54 (31/160) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.000 2.332 0.000) 2.332 1.604 ( 0.000 -0.495 0.000) 0.495 1.739 ( 0.000 13.333 0.000) 13.333 2.151 ( 0.000 6.385 0.000) 6.385 2.213 ( 0.000 -8.469 0.000) 8.469 2.453 ( 0.000 -7.982 0.000) 7.982 2.922 ( 0.000 3.973 0.000) 3.973 2.926 ( 0.000 2.950 0.000) 2.950 3.097 ( 0.000 1.529 0.000) 1.529 3.120 ( 0.000 2.557 0.000) 2.557 3.178 ( 0.000 6.665 0.000) 6.665 3.217 ( 0.000 4.446 0.000) 4.446 4.026 ( 0.000 3.421 0.000) 3.421 4.226 ( 0.000 -4.742 0.000) 4.742 4.311 ( 0.000 5.319 0.000) 5.319 4.553 ( 0.000 -7.439 0.000) 7.439 7.524 ( 0.000 38.140 0.000) 38.140 7.531 ( 0.000 41.230 0.000) 41.230 8.720 ( 0.000 -10.059 0.000) 10.059 8.908 ( 0.000 -19.554 0.000) 19.554 10.431 ( 0.000 9.951 0.000) 9.951 10.609 ( 0.000 25.794 0.000) 25.794 11.223 ( 0.000 -22.687 0.000) 22.687 11.735 ( 0.000 -21.928 0.000) 21.928 12.152 ( 0.000 12.473 0.000) 12.473 12.438 ( 0.000 2.443 0.000) 2.443 12.641 ( 0.000 3.660 0.000) 3.660 12.657 ( 0.000 32.644 0.000) 32.644 12.738 ( 0.000 17.480 0.000) 17.480 12.904 ( 0.000 -8.729 0.000) 8.729 13.891 ( 0.000 -19.006 0.000) 19.006 13.921 ( 0.000 -16.410 0.000) 16.410 19.443 ( 0.000 4.084 0.000) 4.084 19.608 ( 0.000 -6.009 0.000) 6.009 19.612 ( 0.000 -3.040 0.000) 3.040 19.730 ( 0.000 -6.934 0.000) 6.934 ======================= Grid point 55 (32/160) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 4.767 2.398 0.000) 5.336 1.661 ( 5.514 -1.115 0.000) 5.626 1.758 ( 1.893 12.996 0.000) 13.133 2.162 ( 1.142 6.517 0.000) 6.617 2.213 ( -0.049 -8.156 0.000) 8.157 2.461 ( 0.929 -7.709 0.000) 7.765 2.892 ( -2.051 4.469 0.000) 4.917 2.927 ( -1.558 2.378 0.000) 2.843 3.042 ( -4.156 3.676 0.000) 5.549 3.122 ( -0.541 0.024 0.000) 0.541 3.169 ( -0.931 6.693 0.000) 6.757 3.206 ( -1.196 4.638 0.000) 4.789 4.034 ( 1.057 4.274 0.000) 4.403 4.272 ( 4.228 -5.830 0.000) 7.201 4.299 ( -1.085 5.919 0.000) 6.017 4.575 ( 1.959 -7.974 0.000) 8.212 7.503 ( -2.754 40.443 0.000) 40.537 7.506 ( -1.835 37.777 0.000) 37.822 8.687 ( -3.303 -10.280 0.000) 10.798 8.846 ( -6.022 -18.719 0.000) 19.664 10.433 ( 0.300 10.975 0.000) 10.979 10.599 ( -0.969 25.171 0.000) 25.190 11.238 ( 1.555 -22.754 0.000) 22.807 11.719 ( -1.709 -23.344 0.000) 23.406 12.183 ( 3.050 11.468 0.000) 11.866 12.438 ( 0.020 3.668 0.000) 3.668 12.650 ( 0.955 4.427 0.000) 4.529 12.664 ( 0.707 32.048 0.000) 32.056 12.736 ( -0.239 17.348 0.000) 17.349 12.901 ( -0.407 -8.072 0.000) 8.082 13.894 ( 0.258 -18.841 0.000) 18.843 13.922 ( 0.045 -16.317 0.000) 16.317 19.447 ( 0.372 4.260 0.000) 4.277 19.600 ( -1.189 -1.903 0.000) 2.244 19.625 ( 1.784 -6.489 0.000) 6.729 19.739 ( 0.883 -7.705 0.000) 7.756 ======================= Grid point 56 (33/160) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 7.858 2.096 0.000) 8.133 1.794 ( 7.868 -1.599 0.000) 8.028 1.807 ( 3.070 11.854 0.000) 12.246 2.195 ( 2.369 6.666 0.000) 7.075 2.204 ( -1.033 -6.950 0.000) 7.027 2.492 ( 2.496 -7.193 0.000) 7.614 2.812 ( -9.810 2.018 0.000) 10.015 2.852 ( -2.097 3.385 0.000) 3.982 3.008 ( 0.581 5.747 0.000) 5.777 3.093 ( -2.385 -1.516 0.000) 2.826 3.142 ( -1.797 6.698 0.000) 6.935 3.173 ( -2.162 5.091 0.000) 5.531 4.074 ( 3.064 5.399 0.000) 6.207 4.276 ( -1.226 6.937 0.000) 7.045 4.369 ( 5.539 -7.652 0.000) 9.447 4.611 ( 1.303 -8.917 0.000) 9.011 7.439 ( -3.511 38.508 0.000) 38.668 7.459 ( -2.928 36.876 0.000) 36.992 8.606 ( -4.665 -10.930 0.000) 11.884 8.702 ( -8.154 -16.853 0.000) 18.722 10.444 ( 0.856 13.388 0.000) 13.416 10.573 ( -1.674 23.536 0.000) 23.596 11.284 ( 3.259 -23.123 0.000) 23.351 11.666 ( -3.819 -25.667 0.000) 25.950 12.260 ( 4.616 9.168 0.000) 10.264 12.440 ( 0.134 5.353 0.000) 5.354 12.677 ( 1.865 7.293 0.000) 7.528 12.680 ( 0.844 31.085 0.000) 31.097 12.729 ( -0.433 16.103 0.000) 16.109 12.883 ( -1.486 -6.414 0.000) 6.584 13.900 ( 0.414 -18.370 0.000) 18.374 13.922 ( -0.009 -16.207 0.000) 16.207 19.458 ( 0.767 4.607 0.000) 4.671 19.571 ( -1.784 0.407 0.000) 1.830 19.670 ( 2.714 -7.675 0.000) 8.141 19.758 ( 0.946 -9.019 0.000) 9.068 ======================= Grid point 57 (34/160) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 5.303 2.700 0.000) 5.950 1.866 ( 2.646 9.665 0.000) 10.021 1.952 ( 8.439 -1.723 0.000) 8.613 2.170 ( -2.649 -5.234 0.000) 5.866 2.258 ( 4.541 6.558 0.000) 7.977 2.565 ( 5.230 -7.193 0.000) 8.893 2.597 ( -11.779 4.171 0.000) 12.496 2.797 ( -4.269 -2.708 0.000) 5.055 3.035 ( 1.871 5.741 0.000) 6.038 3.052 ( -1.112 2.270 0.000) 2.528 3.101 ( -2.378 6.597 0.000) 7.012 3.127 ( -2.568 5.509 0.000) 6.079 4.142 ( 3.689 6.092 0.000) 7.122 4.249 ( -1.704 7.277 0.000) 7.474 4.475 ( 5.315 -8.937 0.000) 10.398 4.614 ( -1.185 -9.461 0.000) 9.535 7.383 ( -1.944 36.538 0.000) 36.590 7.403 ( -2.563 35.931 0.000) 36.023 8.526 ( -3.189 -11.968 0.000) 12.386 8.564 ( -5.657 -14.927 0.000) 15.963 10.467 ( 1.479 16.155 0.000) 16.223 10.538 ( -1.987 21.320 0.000) 21.413 11.363 ( 4.864 -24.072 0.000) 24.558 11.576 ( -5.418 -26.388 0.000) 26.939 12.347 ( 4.178 7.000 0.000) 8.152 12.437 ( -0.564 5.789 0.000) 5.816 12.695 ( 0.675 30.139 0.000) 30.147 12.715 ( 0.528 39.027 0.000) 39.031 12.727 ( 1.670 -13.855 0.000) 13.955 12.842 ( -2.761 -4.385 0.000) 5.182 13.909 ( 0.432 -17.675 0.000) 17.680 13.921 ( -0.166 -16.381 0.000) 16.382 19.476 ( 1.169 4.700 0.000) 4.844 19.535 ( -1.830 2.618 0.000) 3.194 19.722 ( 2.450 -8.985 0.000) 9.313 19.770 ( 0.098 -9.846 0.000) 9.846 ======================= Grid point 58 (35/160) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -0.150 6.295 0.000) 6.297 1.894 ( 0.150 6.295 0.000) 6.297 2.094 ( -5.642 -3.776 0.000) 6.789 2.094 ( 5.642 -3.776 0.000) 6.789 2.388 ( -9.245 6.166 0.000) 11.113 2.388 ( 9.245 6.166 0.000) 11.113 2.686 ( -6.754 -7.026 0.000) 9.746 2.686 ( 6.754 -7.026 0.000) 9.746 3.059 ( -1.721 5.986 0.000) 6.229 3.059 ( 1.721 5.986 0.000) 6.229 3.078 ( -2.424 5.605 0.000) 6.107 3.078 ( 2.424 5.605 0.000) 6.107 4.206 ( -2.844 6.796 0.000) 7.367 4.206 ( 2.844 6.796 0.000) 7.367 4.565 ( -3.804 -9.486 0.000) 10.220 4.565 ( 3.804 -9.486 0.000) 10.220 7.370 ( -0.625 35.621 0.000) 35.627 7.370 ( 0.625 35.621 0.000) 35.627 8.500 ( -0.840 -13.307 0.000) 13.334 8.500 ( 0.840 -13.307 0.000) 13.334 10.500 ( -1.902 18.823 0.000) 18.919 10.500 ( 1.902 18.823 0.000) 18.919 11.466 ( -5.759 -25.459 0.000) 26.102 11.466 ( 5.759 -25.459 0.000) 26.102 12.411 ( -2.340 5.934 0.000) 6.378 12.411 ( 2.340 5.934 0.000) 6.378 12.707 ( -0.587 29.487 0.000) 29.493 12.707 ( 0.587 29.487 0.000) 29.493 12.783 ( -3.259 -3.391 0.000) 4.703 12.783 ( 3.259 -3.391 0.000) 4.703 13.916 ( -0.334 -16.929 0.000) 16.932 13.916 ( 0.334 -16.929 0.000) 16.932 19.503 ( -1.555 4.107 0.000) 4.391 19.503 ( 1.555 4.107 0.000) 4.391 19.759 ( -1.277 -9.827 0.000) 9.910 19.759 ( 1.277 -9.827 0.000) 9.910 ======================= Grid point 63 (36/160) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.000 -1.885 0.000) 1.885 1.577 ( 0.000 1.885 0.000) 1.885 1.998 ( 0.000 -11.944 0.000) 11.944 1.998 ( 0.000 11.944 0.000) 11.944 2.293 ( 0.000 -7.514 0.000) 7.514 2.293 ( 0.000 7.514 0.000) 7.514 2.960 ( 0.000 -0.012 0.000) 0.012 2.960 ( 0.000 0.012 0.000) 0.012 3.130 ( 0.000 -1.135 0.000) 1.135 3.130 ( 0.000 1.135 0.000) 1.135 3.255 ( 0.000 -0.907 0.000) 0.907 3.255 ( 0.000 0.907 0.000) 0.907 4.120 ( 0.000 -5.328 0.000) 5.328 4.120 ( 0.000 5.328 0.000) 5.328 4.421 ( 0.000 -5.719 0.000) 5.719 4.421 ( 0.000 5.719 0.000) 5.719 8.256 ( 0.000 -31.934 0.000) 31.934 8.256 ( 0.000 31.934 0.000) 31.934 8.323 ( 0.000 -35.364 0.000) 35.364 8.323 ( 0.000 35.364 0.000) 35.364 10.768 ( 0.000 -20.983 0.000) 20.983 10.768 ( 0.000 20.983 0.000) 20.983 11.189 ( 0.000 -29.259 0.000) 29.259 11.189 ( 0.000 29.259 0.000) 29.259 12.396 ( 0.000 -12.107 0.000) 12.107 12.396 ( 0.000 12.107 0.000) 12.107 12.571 ( 0.000 -9.925 0.000) 9.925 12.571 ( 0.000 9.925 0.000) 9.925 13.396 ( 0.000 -29.652 0.000) 29.652 13.396 ( 0.000 29.652 0.000) 29.652 13.453 ( 0.000 -30.038 0.000) 30.038 13.453 ( 0.000 30.038 0.000) 30.038 19.514 ( 0.000 -3.504 0.000) 3.504 19.514 ( 0.000 3.504 0.000) 3.504 19.618 ( 0.000 -3.387 0.000) 3.387 19.618 ( 0.000 3.387 0.000) 3.387 ======================= Grid point 65 (37/160) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 4.892 -2.104 0.000) 5.325 1.626 ( 4.892 2.104 0.000) 5.325 2.008 ( 0.980 -11.450 0.000) 11.492 2.008 ( 0.980 11.450 0.000) 11.492 2.305 ( 1.227 -7.458 0.000) 7.559 2.305 ( 1.227 7.458 0.000) 7.559 2.943 ( -2.178 -0.645 0.000) 2.272 2.943 ( -2.178 0.645 0.000) 2.272 3.103 ( -2.237 -2.033 0.000) 3.023 3.103 ( -2.237 2.033 0.000) 3.023 3.246 ( -0.942 -0.852 0.000) 1.270 3.246 ( -0.942 0.852 0.000) 1.270 4.145 ( 2.500 -6.250 0.000) 6.731 4.145 ( 2.500 6.250 0.000) 6.731 4.426 ( 0.458 -6.714 0.000) 6.729 4.426 ( 0.458 6.714 0.000) 6.729 8.228 ( -2.805 -31.404 0.000) 31.529 8.228 ( -2.805 31.404 0.000) 31.529 8.278 ( -4.340 -34.557 0.000) 34.828 8.278 ( -4.340 34.557 0.000) 34.828 10.781 ( 1.325 -21.158 0.000) 21.199 10.781 ( 1.325 21.158 0.000) 21.199 11.168 ( -2.124 -28.893 0.000) 28.971 11.168 ( -2.124 28.893 0.000) 28.971 12.411 ( 1.471 -11.547 0.000) 11.640 12.411 ( 1.471 11.547 0.000) 11.640 12.575 ( 0.321 -9.705 0.000) 9.710 12.575 ( 0.321 9.705 0.000) 9.710 13.401 ( 0.465 -29.691 0.000) 29.694 13.401 ( 0.465 29.691 0.000) 29.694 13.456 ( 0.302 -29.897 0.000) 29.899 13.456 ( 0.302 29.897 0.000) 29.899 19.523 ( 0.907 -3.869 0.000) 3.974 19.523 ( 0.907 3.869 0.000) 3.974 19.618 ( 0.023 -3.711 0.000) 3.711 19.618 ( 0.023 3.711 0.000) 3.711 ======================= Grid point 67 (38/160) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 7.735 -2.313 0.000) 8.073 1.752 ( 7.735 2.313 0.000) 8.073 2.030 ( 1.083 -9.902 0.000) 9.961 2.030 ( 1.083 9.902 0.000) 9.961 2.341 ( 2.588 -7.465 0.000) 7.901 2.341 ( 2.588 7.465 0.000) 7.901 2.856 ( -6.861 -1.886 0.000) 7.116 2.856 ( -6.861 1.886 0.000) 7.116 3.076 ( -0.221 -1.281 0.000) 1.300 3.076 ( -0.221 1.281 0.000) 1.300 3.219 ( -1.847 -0.726 0.000) 1.985 3.219 ( -1.847 0.726 0.000) 1.985 4.210 ( 4.058 -7.601 0.000) 8.617 4.210 ( 4.058 7.601 0.000) 8.617 4.433 ( 0.030 -8.371 0.000) 8.371 4.433 ( 0.030 8.371 0.000) 8.371 8.157 ( -4.218 -30.241 0.000) 30.534 8.157 ( -4.218 30.241 0.000) 30.534 8.175 ( -5.827 -32.592 0.000) 33.109 8.175 ( -5.827 32.592 0.000) 33.109 10.818 ( 2.552 -21.758 0.000) 21.907 10.818 ( 2.552 21.758 0.000) 21.907 11.111 ( -3.612 -27.833 0.000) 28.066 11.111 ( -3.612 27.833 0.000) 28.066 12.449 ( 2.410 -10.170 0.000) 10.452 12.449 ( 2.410 10.170 0.000) 10.452 12.579 ( -0.015 -9.114 0.000) 9.114 12.579 ( -0.015 9.114 0.000) 9.114 13.413 ( 0.823 -29.754 0.000) 29.765 13.413 ( 0.823 29.754 0.000) 29.765 13.462 ( 0.163 -29.648 0.000) 29.649 13.462 ( 0.163 29.648 0.000) 29.649 19.546 ( 1.441 -4.741 0.000) 4.955 19.546 ( 1.441 4.741 0.000) 4.955 19.618 ( -0.106 -4.577 0.000) 4.578 19.618 ( -0.106 4.577 0.000) 4.578 ======================= Grid point 69 (39/160) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 7.128 -2.851 0.000) 7.677 1.901 ( 7.128 2.851 0.000) 7.677 2.040 ( -0.328 -7.469 0.000) 7.476 2.040 ( -0.328 7.469 0.000) 7.476 2.410 ( 4.818 -7.814 0.000) 9.180 2.410 ( 4.818 7.814 0.000) 9.180 2.698 ( -9.001 -5.505 0.000) 10.551 2.698 ( -9.001 5.505 0.000) 10.551 3.090 ( 1.549 -0.135 0.000) 1.555 3.090 ( 1.549 0.135 0.000) 1.555 3.177 ( -2.437 -0.654 0.000) 2.523 3.177 ( -2.437 0.654 0.000) 2.523 4.294 ( 4.422 -8.519 0.000) 9.598 4.294 ( 4.422 8.519 0.000) 9.598 4.420 ( -1.559 -9.244 0.000) 9.375 4.420 ( -1.559 9.244 0.000) 9.375 8.078 ( -3.723 -30.512 0.000) 30.738 8.078 ( -3.723 30.512 0.000) 30.738 8.081 ( -3.342 -29.304 0.000) 29.494 8.081 ( -3.342 29.304 0.000) 29.494 10.877 ( 3.556 -22.890 0.000) 23.165 10.877 ( 3.556 22.890 0.000) 23.165 11.035 ( -4.264 -26.255 0.000) 26.599 11.035 ( -4.264 26.255 0.000) 26.599 12.498 ( 2.556 -8.747 0.000) 9.113 12.498 ( 2.556 8.747 0.000) 9.113 12.571 ( -0.944 -8.401 0.000) 8.453 12.571 ( -0.944 8.401 0.000) 8.453 13.431 ( 0.972 -29.743 0.000) 29.759 13.431 ( 0.972 29.743 0.000) 29.759 13.460 ( -0.345 -29.554 0.000) 29.556 13.460 ( -0.345 29.554 0.000) 29.556 19.574 ( 1.433 -5.602 0.000) 5.782 19.574 ( 1.433 5.602 0.000) 5.782 19.612 ( -0.477 -5.512 0.000) 5.532 19.612 ( -0.477 5.512 0.000) 5.532 ======================= Grid point 71 (40/160) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -3.553 -4.847 0.000) 6.010 2.006 ( 3.553 -4.847 0.000) 6.010 2.006 ( -3.553 4.847 0.000) 6.010 2.006 ( 3.553 4.847 0.000) 6.010 2.532 ( -7.841 -7.625 0.000) 10.937 2.532 ( 7.841 -7.625 0.000) 10.937 2.532 ( -7.841 7.625 0.000) 10.937 2.532 ( 7.841 7.625 0.000) 10.937 3.129 ( -2.371 -0.594 0.000) 2.444 3.129 ( -2.371 0.594 0.000) 2.444 3.129 ( 2.371 -0.594 0.000) 2.444 3.129 ( 2.371 0.594 0.000) 2.444 4.371 ( -3.451 -9.145 0.000) 9.775 4.371 ( 3.451 -9.145 0.000) 9.775 4.371 ( -3.451 9.145 0.000) 9.775 4.371 ( 3.451 9.145 0.000) 9.775 8.044 ( -0.202 -29.295 0.000) 29.295 8.044 ( 0.202 -29.295 0.000) 29.295 8.044 ( -0.202 29.295 0.000) 29.296 8.044 ( 0.202 29.295 0.000) 29.296 10.952 ( -4.184 -24.484 0.000) 24.839 10.952 ( 4.184 -24.484 0.000) 24.839 10.952 ( -4.184 24.484 0.000) 24.839 10.952 ( 4.184 24.484 0.000) 24.839 12.543 ( -1.962 -8.097 0.000) 8.331 12.543 ( 1.962 -8.097 0.000) 8.331 12.543 ( -1.962 8.097 0.000) 8.331 12.543 ( 1.962 8.097 0.000) 8.331 13.449 ( -0.812 -29.637 0.000) 29.648 13.449 ( 0.812 -29.637 0.000) 29.648 13.449 ( -0.812 29.637 0.000) 29.649 13.449 ( 0.812 29.637 0.000) 29.649 19.598 ( -1.009 -5.933 0.000) 6.018 19.598 ( 1.009 -5.933 0.000) 6.018 19.598 ( -1.009 5.933 0.000) 6.018 19.598 ( 1.009 5.933 0.000) 6.018 ======================= Grid point 135 (41/160) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.108 ( 0.000 0.000 5.271) 5.271 0.261 ( 0.000 0.000 0.024) 0.024 0.407 ( 0.000 0.000 21.212) 21.212 0.644 ( 0.000 0.000 33.248) 33.248 1.191 ( 0.000 0.000 2.068) 2.068 1.395 ( 0.000 0.000 0.107) 0.107 1.433 ( 0.000 0.000 -1.660) 1.660 1.930 ( 0.000 0.000 1.748) 1.748 2.477 ( 0.000 0.000 1.459) 1.459 2.489 ( 0.000 0.000 1.167) 1.167 2.727 ( 0.000 0.000 -2.581) 2.581 3.057 ( 0.000 0.000 -4.609) 4.609 3.137 ( 0.000 0.000 -2.436) 2.436 3.138 ( 0.000 0.000 -4.876) 4.876 3.901 ( 0.000 0.000 1.728) 1.728 4.449 ( 0.000 0.000 -12.440) 12.440 4.929 ( 0.000 0.000 7.821) 7.821 5.383 ( 0.000 0.000 -1.898) 1.898 5.976 ( 0.000 0.000 9.395) 9.395 6.716 ( 0.000 0.000 -4.423) 4.423 9.114 ( 0.000 0.000 0.819) 0.819 9.212 ( 0.000 0.000 -0.775) 0.775 9.472 ( 0.000 0.000 2.752) 2.752 9.816 ( 0.000 0.000 -2.726) 2.726 11.400 ( 0.000 0.000 4.177) 4.177 11.974 ( 0.000 0.000 -5.257) 5.257 13.616 ( 0.000 0.000 2.745) 2.745 13.884 ( 0.000 0.000 -1.756) 1.756 15.422 ( 0.000 0.000 0.404) 0.404 15.499 ( 0.000 0.000 -0.928) 0.928 15.827 ( 0.000 0.000 0.717) 0.717 15.871 ( 0.000 0.000 -0.087) 0.087 17.197 ( 0.000 0.000 -0.012) 0.012 17.201 ( 0.000 0.000 -0.083) 0.083 20.213 ( 0.000 0.000 0.018) 0.018 20.214 ( 0.000 0.000 0.005) 0.005 ======================= Grid point 136 (42/160) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 14.546 0.000 1.572) 14.630 0.391 ( 11.100 0.000 0.032) 11.100 0.517 ( 14.624 0.000 12.624) 19.319 1.078 ( 31.558 0.000 20.742) 37.765 1.192 ( 0.017 0.000 1.907) 1.907 1.417 ( -1.672 0.000 -1.570) 2.294 1.492 ( 10.449 0.000 -2.951) 10.857 1.875 ( -4.511 0.000 2.405) 5.112 2.425 ( -3.430 0.000 6.553) 7.397 2.463 ( -1.375 0.000 1.398) 1.961 2.697 ( -3.051 0.000 -2.377) 3.868 3.070 ( -3.642 0.000 -5.373) 6.491 3.123 ( -4.045 0.000 -0.312) 4.057 3.261 ( 13.287 0.000 -5.952) 14.559 3.930 ( 3.046 0.000 1.857) 3.568 4.409 ( -5.469 0.000 7.582) 9.349 4.642 ( -13.607 0.000 -0.073) 13.607 5.334 ( -4.395 0.000 -8.307) 9.398 5.888 ( -6.082 0.000 13.386) 14.703 6.555 ( -12.544 0.000 2.370) 12.766 9.119 ( 0.584 0.000 0.756) 0.956 9.211 ( -0.188 0.000 -0.716) 0.740 9.495 ( 2.309 0.000 2.696) 3.550 9.830 ( 0.319 0.000 -1.792) 1.821 11.432 ( 3.846 0.000 3.582) 5.256 11.940 ( -3.263 0.000 -3.846) 5.043 13.315 ( -6.549 0.000 11.656) 13.369 14.101 ( 2.205 0.000 -14.393) 14.561 15.368 ( -2.441 0.000 9.708) 10.010 15.422 ( 0.041 0.000 0.386) 0.388 15.611 ( 9.137 0.000 6.200) 11.042 16.941 ( 34.111 0.000 -43.054) 54.929 17.197 ( 0.055 0.000 -0.009) 0.056 17.201 ( 0.021 0.000 -0.075) 0.077 20.212 ( -0.055 0.000 0.008) 0.055 20.213 ( -0.042 0.000 0.013) 0.044 ======================= Grid point 137 (43/160) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 13.187 0.000 0.582) 13.200 0.622 ( 12.085 0.000 0.021) 12.085 0.827 ( 15.610 0.000 9.726) 18.392 1.189 ( -0.329 0.000 1.457) 1.494 1.368 ( -3.440 0.000 -1.306) 3.679 1.594 ( 19.224 0.000 11.505) 22.403 1.692 ( -0.068 0.000 -6.279) 6.279 1.944 ( 21.923 0.000 3.236) 22.161 2.432 ( -1.647 0.000 1.186) 2.029 2.441 ( 6.450 0.000 10.561) 12.375 2.617 ( -5.042 0.000 -1.796) 5.352 2.946 ( -12.838 0.000 4.536) 13.616 2.987 ( -4.803 0.000 -5.863) 7.580 3.489 ( 8.216 0.000 -8.555) 11.861 4.015 ( 5.613 0.000 3.025) 6.376 4.271 ( -5.893 0.000 10.395) 11.950 4.533 ( -2.286 0.000 -5.240) 5.717 5.252 ( -3.674 0.000 -14.181) 14.649 5.731 ( -10.332 0.000 10.852) 14.984 6.281 ( -15.295 0.000 1.929) 15.416 9.135 ( 0.994 0.000 0.579) 1.150 9.205 ( -0.435 0.000 -0.547) 0.699 9.554 ( 3.646 0.000 2.265) 4.293 9.818 ( -1.507 0.000 -0.800) 1.706 11.536 ( 6.399 0.000 3.328) 7.213 11.874 ( -3.121 0.000 -0.832) 3.230 13.316 ( 4.349 0.000 2.396) 4.965 14.030 ( -7.618 0.000 -11.846) 14.084 15.379 ( 1.361 0.000 3.679) 3.923 15.423 ( 0.018 0.000 0.352) 0.352 15.911 ( 20.690 0.000 7.182) 21.901 17.199 ( 0.086 0.000 -0.003) 0.086 17.202 ( 0.022 0.000 -0.053) 0.057 17.203 ( -0.280 0.000 -23.485) 23.486 20.211 ( -0.065 0.000 -0.004) 0.065 20.212 ( -0.072 0.000 0.017) 0.074 ======================= Grid point 138 (44/160) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 9.247 0.000 0.250) 9.251 0.831 ( 8.971 0.000 -0.012) 8.971 1.100 ( 13.150 0.000 11.037) 17.168 1.179 ( -0.564 0.000 0.766) 0.951 1.286 ( -4.967 0.000 -0.884) 5.045 1.554 ( -9.611 0.000 7.563) 12.230 1.958 ( 17.900 0.000 3.717) 18.282 2.379 ( 16.601 0.000 -4.830) 17.289 2.412 ( -0.069 0.000 0.737) 0.740 2.516 ( -5.032 0.000 -0.939) 5.119 2.610 ( -3.632 0.000 4.743) 5.974 2.729 ( 0.444 0.000 4.008) 4.032 2.932 ( 4.192 0.000 -5.057) 6.568 3.515 ( -6.510 0.000 -10.481) 12.339 4.125 ( 4.611 0.000 5.523) 7.195 4.215 ( -0.717 0.000 4.752) 4.806 4.526 ( 4.337 0.000 0.088) 4.337 5.117 ( -13.951 0.000 -0.032) 13.951 5.596 ( 0.526 0.000 -2.727) 2.777 5.993 ( -14.427 0.000 -1.189) 14.476 9.156 ( 1.131 0.000 0.316) 1.174 9.194 ( -0.737 0.000 -0.293) 0.793 9.629 ( 4.088 0.000 1.412) 4.325 9.774 ( -3.014 0.000 -0.293) 3.028 11.659 ( 6.030 0.000 3.509) 6.977 11.821 ( -2.694 0.000 1.773) 3.225 13.444 ( 8.558 0.000 -3.236) 9.150 13.847 ( -10.851 0.000 -9.498) 14.421 15.401 ( 0.922 0.000 1.559) 1.811 15.422 ( -0.198 0.000 0.472) 0.511 16.342 ( 22.837 0.000 3.995) 23.184 17.064 ( -12.613 0.000 -10.091) 16.153 17.200 ( 0.079 0.000 -0.000) 0.079 17.202 ( -0.004 0.000 -0.027) 0.028 20.210 ( -0.033 0.000 -0.006) 0.033 20.211 ( -0.064 0.000 0.012) 0.065 ======================= Grid point 139 (45/160) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.833 0.000 0.139) 0.845 0.921 ( 0.833 0.000 0.139) 0.845 1.197 ( -3.309 0.000 -0.197) 3.315 1.197 ( 3.309 0.000 -0.197) 3.315 1.342 ( -12.052 0.000 10.732) 16.138 1.342 ( 12.052 0.000 10.732) 16.138 2.295 ( -16.732 0.000 3.728) 17.142 2.295 ( 16.732 0.000 3.728) 17.142 2.438 ( -2.835 0.000 -0.009) 2.835 2.438 ( 2.835 0.000 -0.009) 2.835 2.662 ( -8.639 0.000 -3.373) 9.274 2.662 ( 8.639 0.000 -3.373) 9.274 3.248 ( -19.552 0.000 -8.057) 21.147 3.248 ( 19.552 0.000 -8.057) 21.147 4.187 ( -2.443 0.000 4.236) 4.890 4.187 ( 2.443 0.000 4.236) 4.890 4.766 ( -18.704 0.000 5.433) 19.477 4.766 ( 18.704 0.000 5.433) 19.477 5.737 ( -11.688 0.000 -5.337) 12.849 5.737 ( 11.688 0.000 -5.337) 12.849 9.177 ( -1.011 0.000 0.009) 1.011 9.177 ( 1.011 0.000 0.009) 1.011 9.707 ( -3.890 0.000 0.453) 3.917 9.707 ( 3.890 0.000 0.453) 3.917 11.758 ( -4.161 0.000 3.195) 5.246 11.758 ( 4.161 0.000 3.195) 5.246 13.634 ( -10.897 0.000 -6.874) 12.884 13.634 ( 10.897 0.000 -6.874) 12.884 15.415 ( -0.536 0.000 0.797) 0.960 15.415 ( 0.536 0.000 0.797) 0.960 16.753 ( -19.320 0.000 -1.778) 19.401 16.753 ( 19.320 0.000 -1.778) 19.401 17.202 ( -0.045 0.000 -0.008) 0.046 17.202 ( 0.045 0.000 -0.008) 0.046 20.210 ( -0.021 0.000 0.001) 0.021 20.210 ( 0.021 0.000 0.001) 0.021 ======================= Grid point 144 (46/160) ======================= q-point: ( 0.00 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 12.703 14.308) 19.133 0.640 ( 0.000 4.085 27.059) 27.366 0.782 ( 0.000 29.433 0.991) 29.450 1.015 ( 0.000 39.552 -3.525) 39.708 1.366 ( 0.000 5.610 2.563) 6.168 1.401 ( 0.000 11.570 0.761) 11.595 1.559 ( 0.000 10.973 -2.247) 11.200 1.944 ( 0.000 1.727 2.253) 2.839 2.504 ( 0.000 1.829 2.055) 2.751 3.022 ( 0.000 5.280 -2.601) 5.886 3.075 ( 0.000 1.781 -3.740) 4.143 3.116 ( 0.000 -2.039 -2.306) 3.078 3.355 ( 0.000 53.623 -19.368) 57.014 3.391 ( 0.000 41.112 -4.911) 41.404 3.956 ( 0.000 7.696 1.322) 7.809 4.499 ( 0.000 6.198 -11.803) 13.331 4.939 ( 0.000 2.020 7.222) 7.499 5.343 ( 0.000 -3.199 1.621) 3.586 5.876 ( 0.000 -8.878 8.840) 12.528 5.955 ( 0.000 -34.853 37.693) 51.337 9.387 ( 0.000 25.389 0.634) 25.397 9.446 ( 0.000 20.983 0.445) 20.988 9.513 ( 0.000 4.138 2.598) 4.886 9.846 ( 0.000 3.010 -2.674) 4.026 11.371 ( 0.000 -2.744 3.976) 4.831 11.929 ( 0.000 -4.360 -5.108) 6.716 13.359 ( 0.000 -25.495 19.486) 32.089 13.555 ( 0.000 -5.866 1.868) 6.156 15.072 ( 0.000 -17.055 3.243) 17.361 15.213 ( 0.000 -23.757 -1.093) 23.782 15.383 ( 0.000 -13.403 9.118) 16.210 15.695 ( 0.000 -12.421 0.207) 12.423 17.525 ( 0.000 26.919 1.883) 26.985 18.911 ( 0.000 61.568 -64.463) 89.141 20.206 ( 0.000 -0.886 0.015) 0.886 20.208 ( 0.000 -0.658 0.021) 0.658 ======================= Grid point 145 (47/160) ======================= q-point: ( 0.12 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 10.757 6.521 11.596) 17.108 0.818 ( 3.885 26.463 0.655) 26.755 0.940 ( 10.479 22.711 5.202) 25.548 1.144 ( 19.038 16.285 7.606) 26.182 1.387 ( 1.088 15.993 5.384) 16.910 1.486 ( 10.103 1.254 -2.713) 10.536 1.559 ( 0.209 11.051 -3.339) 11.546 1.905 ( -3.179 3.368 2.774) 5.398 2.443 ( -3.417 2.106 6.327) 7.492 2.985 ( -4.936 6.884 -2.718) 8.897 3.070 ( -4.012 -0.034 -2.157) 4.555 3.187 ( 7.691 17.140 -4.835) 19.399 3.325 ( 0.616 37.154 -8.058) 38.023 3.396 ( -1.500 42.739 -4.528) 43.005 3.980 ( 2.467 6.945 1.526) 7.526 4.440 ( -7.182 3.833 9.398) 12.434 4.672 ( -12.188 4.814 -0.937) 13.137 5.312 ( -3.774 -1.177 -7.226) 8.236 5.809 ( -5.429 -7.061 11.532) 14.571 6.084 ( 2.925 -29.635 14.910) 33.303 9.425 ( 1.590 22.056 -0.833) 22.129 9.463 ( 1.929 23.260 -0.568) 23.346 9.542 ( 2.356 7.724 2.417) 8.429 9.859 ( 0.675 3.233 -1.711) 3.720 11.391 ( 2.893 -3.633 3.919) 6.077 11.895 ( -3.145 -4.302 -3.883) 6.594 13.224 ( -2.856 -8.588 10.624) 13.956 13.811 ( 10.441 -20.484 -4.790) 23.485 15.087 ( 1.026 -20.475 1.531) 20.557 15.171 ( -3.875 -20.352 -0.279) 20.719 15.423 ( 10.439 -13.986 9.881) 20.055 16.049 ( 24.022 -28.242 -3.143) 37.209 17.525 ( 0.077 26.915 1.614) 26.964 18.598 ( -24.755 54.470 -38.290) 71.035 20.211 ( 0.618 -0.323 0.058) 0.700 20.257 ( 2.839 3.104 -2.679) 4.987 ======================= Grid point 146 (48/160) ======================= q-point: ( 0.25 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 13.130 3.053 8.675) 16.031 0.924 ( 7.269 20.490 0.278) 21.743 1.050 ( 4.273 27.620 -1.054) 27.969 1.370 ( 1.466 15.002 1.637) 15.162 1.496 ( 0.308 10.460 -0.073) 10.465 1.602 ( 13.493 1.728 10.288) 17.055 1.712 ( 1.917 2.161 -5.099) 5.860 1.983 ( 19.920 4.764 1.419) 20.531 2.443 ( 4.313 1.069 9.292) 10.300 2.869 ( -8.424 4.039 1.987) 9.551 2.954 ( -6.335 -1.366 -2.905) 7.102 3.200 ( -2.945 55.861 -1.644) 55.962 3.327 ( -2.209 51.180 -1.855) 51.261 3.472 ( 6.925 2.217 -7.894) 10.732 4.048 ( 4.524 4.678 3.082) 7.201 4.282 ( -6.580 1.722 11.601) 13.447 4.570 ( -2.122 4.253 -5.024) 6.916 5.237 ( -3.292 -0.783 -13.089) 13.519 5.645 ( -11.141 -7.721 9.121) 16.338 6.024 ( -7.509 -18.654 5.178) 20.765 9.443 ( 0.766 21.720 -0.190) 21.734 9.498 ( 1.104 29.011 -1.778) 29.087 9.586 ( 2.514 4.997 2.598) 6.168 9.852 ( -1.434 4.105 -0.709) 4.406 11.483 ( 6.177 -4.834 3.372) 8.538 11.830 ( -3.217 -4.229 -1.308) 5.472 13.252 ( 4.586 -6.317 2.573) 8.219 13.867 ( -3.146 -14.822 -8.940) 17.592 15.103 ( 0.632 -23.495 0.356) 23.506 15.125 ( -1.015 -22.859 0.624) 22.890 15.723 ( 18.964 -16.177 8.392) 26.301 16.407 ( 12.213 -33.475 -3.843) 35.840 17.531 ( 0.618 27.168 0.879) 27.189 18.151 ( -20.374 42.524 -15.943) 49.776 20.228 ( 1.081 1.240 0.089) 1.647 20.289 ( 0.622 5.871 -1.958) 6.220 ======================= Grid point 147 (49/160) ======================= q-point: ( 0.38 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 7.289 13.071 2.432) 15.163 1.102 ( 8.126 11.347 2.638) 14.204 1.122 ( 4.917 15.206 2.940) 16.250 1.394 ( 1.294 15.675 1.575) 15.807 1.438 ( -4.339 10.653 0.716) 11.525 1.597 ( -7.418 6.357 6.492) 11.730 1.937 ( 16.950 -0.650 3.750) 17.372 2.380 ( 13.465 0.589 -3.577) 13.945 2.553 ( -2.742 -0.491 4.055) 4.920 2.712 ( -0.443 -1.608 3.579) 3.949 2.896 ( 4.418 -0.578 -4.335) 6.217 3.170 ( 0.635 61.080 -0.197) 61.083 3.275 ( -3.565 58.605 -1.033) 58.722 3.495 ( -5.803 0.572 -9.830) 11.429 4.135 ( 3.590 1.558 5.388) 6.659 4.215 ( -1.075 0.347 5.548) 5.662 4.570 ( 4.360 4.437 0.030) 6.221 5.114 ( -13.232 -0.051 0.383) 13.237 5.501 ( 0.592 -7.603 -3.733) 8.491 5.841 ( -10.813 -11.742 -0.278) 15.965 9.460 ( 0.966 23.599 0.063) 23.619 9.499 ( -0.729 30.381 -0.596) 30.396 9.649 ( 4.000 2.159 1.283) 4.723 9.805 ( -3.329 4.017 -0.364) 5.230 11.605 ( 6.066 -5.069 3.120) 8.498 11.773 ( -2.942 -4.585 1.089) 5.556 13.377 ( 8.178 -6.498 -2.661) 10.779 13.742 ( -8.918 -10.096 -8.367) 15.858 15.112 ( 0.368 -24.908 0.224) 24.912 15.119 ( 0.040 -23.878 0.389) 23.881 16.095 ( 18.563 -21.019 5.424) 28.563 16.517 ( -0.564 -31.136 -1.716) 31.188 17.557 ( 2.367 28.398 -0.260) 28.498 17.827 ( -13.344 35.253 -6.404) 38.234 20.250 ( 1.246 3.270 0.019) 3.499 20.289 ( -0.508 6.188 -0.891) 6.272 ======================= Grid point 148 (50/160) ======================= q-point: (-0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -2.411 16.560 -0.318) 16.738 1.117 ( 2.411 16.560 -0.318) 16.738 1.301 ( -8.673 3.453 5.610) 10.891 1.301 ( 8.673 3.453 5.610) 10.891 1.466 ( -5.247 14.719 4.151) 16.168 1.466 ( 5.247 14.719 4.151) 16.168 2.259 ( -16.082 -0.810 4.350) 16.680 2.259 ( 16.082 -0.810 4.350) 16.680 2.631 ( -8.114 -2.555 -2.673) 8.917 2.631 ( 8.114 -2.555 -2.673) 8.917 3.153 ( -9.819 34.972 -2.931) 36.443 3.153 ( 9.819 34.972 -2.931) 36.443 3.280 ( -11.477 26.735 -5.021) 29.525 3.280 ( 11.477 26.735 -5.021) 29.525 4.187 ( -2.209 0.239 4.476) 4.997 4.187 ( 2.209 0.239 4.476) 4.997 4.789 ( -16.944 2.596 4.707) 17.776 4.789 ( 16.944 2.596 4.707) 17.776 5.631 ( -10.285 -8.393 -5.142) 14.236 5.631 ( 10.285 -8.393 -5.142) 14.236 9.480 ( -1.127 26.784 0.054) 26.808 9.480 ( 1.127 26.784 0.054) 26.808 9.731 ( -4.268 3.156 0.171) 5.311 9.731 ( 4.268 3.156 0.171) 5.311 11.706 ( -4.305 -4.946 2.554) 7.037 11.706 ( 4.305 -4.946 2.554) 7.037 13.555 ( -9.964 -7.666 -6.151) 13.996 13.555 ( 9.964 -7.666 -6.151) 13.996 15.118 ( -0.175 -24.630 0.244) 24.632 15.118 ( 0.175 -24.630 0.244) 24.632 16.395 ( -11.718 -26.730 1.642) 29.232 16.395 ( 11.718 -26.730 1.642) 29.232 17.638 ( -6.609 31.192 -2.192) 31.960 17.638 ( 6.609 31.192 -2.192) 31.960 20.273 ( -1.062 5.119 -0.270) 5.235 20.273 ( 1.062 5.119 -0.270) 5.235 ======================= Grid point 153 (51/160) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 9.049 18.833) 20.894 0.875 ( 0.000 18.691 5.698) 19.540 1.319 ( 0.000 23.621 0.521) 23.627 1.378 ( 0.000 0.847 -0.127) 0.857 1.645 ( 0.000 23.708 -6.438) 24.566 1.790 ( 0.000 9.051 -2.711) 9.449 1.863 ( 0.000 25.821 0.022) 25.821 2.042 ( 0.000 9.736 2.856) 10.146 2.582 ( 0.000 6.095 3.632) 7.095 3.033 ( 0.000 -1.014 -3.750) 3.884 3.055 ( 0.000 -3.788 -1.787) 4.188 3.091 ( 0.000 0.189 -2.687) 2.694 3.877 ( 0.000 7.167 -1.142) 7.257 4.179 ( 0.000 18.306 -7.449) 19.764 4.301 ( 0.000 9.141 13.545) 16.341 4.831 ( 0.000 20.670 0.842) 20.687 5.191 ( 0.000 33.492 -3.514) 33.676 5.436 ( 0.000 11.457 -3.651) 12.024 5.690 ( 0.000 -3.581 10.076) 10.693 5.868 ( 0.000 31.562 11.717) 33.667 9.644 ( 0.000 8.910 2.178) 9.173 9.944 ( 0.000 6.855 -2.532) 7.308 10.005 ( 0.000 32.225 2.005) 32.287 10.059 ( 0.000 38.216 0.072) 38.216 11.294 ( 0.000 -4.522 3.526) 5.734 11.803 ( 0.000 -7.636 -4.683) 8.958 12.967 ( 0.000 -16.375 9.798) 19.083 13.386 ( 0.000 -10.500 -0.284) 10.504 14.668 ( 0.000 -28.148 -0.183) 28.149 14.771 ( 0.000 -15.617 -4.668) 16.300 15.049 ( 0.000 -18.720 7.977) 20.349 15.350 ( 0.000 -20.522 -0.222) 20.523 18.132 ( 0.000 30.226 4.285) 30.528 19.618 ( 0.000 17.968 -33.815) 38.293 20.168 ( 0.000 -3.116 0.042) 3.116 20.175 ( 0.000 -2.809 0.130) 2.812 ======================= Grid point 154 (52/160) ======================= q-point: ( 0.12 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 4.885 11.309 10.597) 16.250 1.155 ( 19.352 10.170 8.819) 23.573 1.321 ( 1.280 20.693 -0.709) 20.744 1.489 ( 10.463 3.790 0.591) 11.144 1.653 ( 1.403 22.783 -5.612) 23.506 1.771 ( -2.198 8.132 -1.754) 8.605 1.842 ( -1.293 23.552 1.613) 23.642 2.056 ( 1.310 12.416 1.090) 12.532 2.521 ( -4.049 5.565 5.681) 8.924 2.977 ( -4.910 -2.686 -3.947) 6.848 3.054 ( -4.755 -1.187 0.481) 4.924 3.191 ( 11.093 -2.246 -4.735) 12.269 3.894 ( 1.883 7.380 -0.083) 7.617 4.180 ( -0.690 12.674 0.030) 12.693 4.339 ( 5.039 12.052 5.622) 14.222 4.801 ( -2.715 32.398 1.991) 32.572 5.123 ( -6.211 44.899 -3.206) 45.439 5.385 ( -4.715 10.541 -5.504) 12.792 5.630 ( -5.742 -4.855 8.818) 11.589 5.872 ( -0.790 19.254 8.225) 20.952 9.644 ( 0.477 8.435 2.155) 8.719 9.890 ( -3.094 12.277 -1.450) 12.744 10.060 ( 3.868 28.025 0.378) 28.293 10.174 ( 8.133 36.868 -1.027) 37.768 11.300 ( 1.253 -4.966 3.620) 6.272 11.774 ( -2.730 -7.225 -3.952) 8.676 12.987 ( 2.303 -14.186 7.413) 16.171 13.444 ( 4.516 -15.909 -1.950) 16.652 14.626 ( -2.614 -26.385 -0.059) 26.514 14.737 ( -4.928 -19.800 -4.633) 20.923 15.098 ( 8.021 -17.564 8.873) 21.250 15.517 ( 12.898 -26.471 -1.065) 29.466 18.131 ( 0.046 30.172 3.778) 30.408 19.319 ( -24.078 21.580 -22.031) 39.125 20.187 ( 1.995 -2.293 0.105) 3.041 20.288 ( 6.832 -0.824 -4.511) 8.228 ======================= Grid point 155 (53/160) ======================= q-point: ( 0.25 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 10.548 7.260 8.751) 15.510 1.358 ( 3.686 20.292 -2.238) 20.745 1.473 ( 9.964 11.066 2.492) 15.098 1.671 ( 4.914 12.033 -2.039) 13.157 1.701 ( -2.007 7.987 4.941) 9.604 1.749 ( 5.565 14.198 0.763) 15.269 1.857 ( 3.178 16.076 1.140) 16.426 2.145 ( 11.190 10.640 -2.863) 15.704 2.487 ( 1.290 3.248 7.036) 7.856 2.857 ( -8.897 -2.328 0.032) 9.197 2.911 ( -7.841 -2.003 -0.087) 8.093 3.382 ( 6.916 -4.127 -7.803) 11.214 3.952 ( 4.151 7.090 1.591) 8.368 4.171 ( 0.186 3.959 4.526) 6.016 4.477 ( 8.210 18.510 -0.278) 20.251 4.748 ( -2.247 47.720 2.978) 47.865 4.976 ( -8.721 56.485 -0.677) 57.159 5.292 ( -4.317 9.946 -6.921) 12.863 5.484 ( -8.695 -4.432 5.339) 11.124 5.813 ( -5.311 7.180 2.787) 9.355 9.671 ( 2.234 6.823 1.829) 7.409 9.843 ( -1.913 10.150 -0.922) 10.370 10.128 ( 2.947 30.591 0.147) 30.733 10.276 ( 1.853 39.218 -1.833) 39.305 11.362 ( 5.065 -6.452 3.010) 8.738 11.713 ( -3.333 -6.793 -2.299) 7.908 13.060 ( 5.219 -12.485 3.014) 13.863 13.500 ( 0.488 -19.572 -4.615) 20.114 14.590 ( -1.251 -27.206 -0.072) 27.235 14.635 ( -4.516 -22.449 -1.851) 22.973 15.320 ( 13.459 -22.250 7.006) 26.931 15.739 ( 8.873 -32.952 -1.221) 34.148 18.139 ( 0.942 30.135 2.451) 30.249 18.858 ( -22.090 27.088 -11.329) 36.743 20.239 ( 3.257 -0.634 0.168) 3.323 20.376 ( 2.430 1.449 -3.740) 4.690 ======================= Grid point 156 (54/160) ======================= q-point: ( 0.38 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 11.182 5.069 8.627) 15.005 1.430 ( 2.801 16.345 -1.932) 16.695 1.552 ( 0.034 19.926 -2.324) 20.061 1.568 ( -6.684 8.468 4.659) 11.751 1.784 ( 2.081 19.709 1.707) 19.892 1.861 ( -0.377 16.597 2.658) 16.813 1.948 ( 14.075 2.537 3.608) 14.750 2.398 ( 8.870 1.086 -2.787) 9.361 2.534 ( -4.874 -1.053 3.628) 6.167 2.666 ( -4.917 -2.675 2.724) 6.225 2.864 ( 7.517 -1.185 -3.856) 8.531 3.402 ( -5.682 -4.796 -9.502) 12.065 4.045 ( 5.150 5.264 3.537) 8.169 4.174 ( -0.561 -0.923 6.066) 6.161 4.608 ( 4.239 35.316 -2.286) 35.643 4.750 ( 1.952 28.440 2.922) 28.656 4.820 ( -4.688 73.909 1.147) 74.067 5.168 ( -10.360 11.258 2.335) 15.476 5.396 ( 2.016 1.089 -4.555) 5.098 5.679 ( -8.330 2.641 -1.613) 8.887 9.722 ( 2.866 5.433 1.389) 6.298 9.811 ( -1.634 7.192 -0.115) 7.376 10.174 ( 2.032 34.721 -0.202) 34.781 10.264 ( -2.247 40.098 -1.340) 40.184 11.473 ( 5.908 -7.113 1.957) 9.451 11.649 ( -3.439 -6.963 -0.529) 7.784 13.181 ( 7.241 -12.663 -1.009) 14.622 13.454 ( -5.030 -17.494 -5.408) 18.990 14.572 ( -0.683 -27.784 -0.067) 27.792 14.579 ( -1.398 -25.745 -0.190) 25.783 15.574 ( 12.294 -28.446 4.765) 31.353 15.832 ( 0.623 -35.251 0.042) 35.257 18.178 ( 3.433 30.284 0.635) 30.484 18.502 ( -14.812 29.662 -5.175) 33.556 20.305 ( 3.382 1.216 -0.046) 3.594 20.392 ( -0.521 2.618 -1.981) 3.324 ======================= Grid point 157 (55/160) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -9.822 4.210 6.663) 12.594 1.349 ( 9.822 4.210 6.663) 12.594 1.532 ( -1.948 20.470 -1.225) 20.599 1.532 ( 1.948 20.470 -1.225) 20.599 1.825 ( -2.271 19.088 1.350) 19.270 1.825 ( 2.271 19.088 1.350) 19.270 2.251 ( -15.989 -0.020 5.120) 16.789 2.251 ( 15.989 -0.020 5.120) 16.789 2.566 ( -6.568 -3.309 -1.539) 7.514 2.566 ( 6.568 -3.309 -1.539) 7.514 3.170 ( -17.246 -3.073 -7.563) 19.080 3.170 ( 17.246 -3.073 -7.563) 19.080 4.134 ( -3.642 1.137 5.791) 6.935 4.134 ( 3.642 1.137 5.791) 6.935 4.675 ( -4.316 49.776 -1.119) 49.976 4.675 ( 4.316 49.776 -1.119) 49.976 4.946 ( -11.234 27.897 3.759) 30.308 4.946 ( 11.234 27.897 3.759) 30.308 5.512 ( -8.406 1.705 -4.586) 9.726 5.512 ( 8.406 1.705 -4.586) 9.726 9.773 ( -2.348 5.308 0.751) 5.853 9.773 ( 2.348 5.308 0.751) 5.853 10.215 ( -2.436 38.409 -0.760) 38.494 10.215 ( 2.436 38.409 -0.760) 38.494 11.574 ( -4.545 -7.195 0.881) 8.556 11.574 ( 4.545 -7.195 0.881) 8.556 13.327 ( -7.594 -14.449 -3.982) 16.802 13.327 ( 7.594 -14.449 -3.982) 16.802 14.567 ( -0.171 -27.537 0.118) 27.538 14.567 ( 0.171 -27.537 0.118) 27.538 15.766 ( -7.145 -33.409 2.253) 34.239 15.766 ( 7.145 -33.409 2.253) 34.239 18.285 ( -8.080 30.382 -1.679) 31.483 18.285 ( 8.080 30.382 -1.679) 31.483 20.362 ( -2.400 2.469 -0.732) 3.521 20.362 ( 2.400 2.469 -0.732) 3.521 ======================= Grid point 162 (56/160) ======================= q-point: ( 0.00 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 10.887 10.658) 15.236 1.228 ( 0.000 14.759 0.554) 14.770 1.410 ( 0.000 2.269 0.985) 2.473 1.731 ( 0.000 15.117 -2.253) 15.284 1.932 ( 0.000 8.102 1.938) 8.331 2.083 ( 0.000 19.720 -4.887) 20.317 2.331 ( 0.000 16.437 0.056) 16.437 2.335 ( 0.000 19.998 -3.066) 20.231 2.738 ( 0.000 8.198 3.462) 8.899 2.973 ( 0.000 -3.693 -0.230) 3.700 2.998 ( 0.000 -2.355 -3.067) 3.867 3.087 ( 0.000 -0.532 -1.357) 1.458 3.991 ( 0.000 4.816 0.823) 4.886 4.275 ( 0.000 -5.124 18.848) 19.533 4.319 ( 0.000 1.431 -6.447) 6.604 5.096 ( 0.000 3.216 1.067) 3.388 5.436 ( 0.000 7.773 2.026) 8.033 5.669 ( 0.000 15.011 -1.445) 15.080 6.547 ( 0.000 64.811 2.773) 64.871 6.969 ( 0.000 62.772 -3.811) 62.888 9.876 ( 0.000 13.424 1.558) 13.514 10.128 ( 0.000 10.921 -2.350) 11.171 10.693 ( 0.000 33.791 3.068) 33.930 10.857 ( 0.000 38.122 -0.572) 38.127 11.209 ( 0.000 -2.641 3.046) 4.032 11.641 ( 0.000 -7.263 -3.953) 8.269 12.625 ( 0.000 -17.768 5.666) 18.650 13.137 ( 0.000 -13.791 -2.907) 14.095 14.099 ( 0.000 -27.360 1.910) 27.427 14.369 ( 0.000 -24.185 -4.361) 24.575 14.692 ( 0.000 -15.055 4.671) 15.764 14.901 ( 0.000 -22.471 -0.381) 22.474 18.697 ( 0.000 24.431 5.121) 24.962 19.839 ( 0.000 5.609 -17.055) 17.954 20.072 ( 0.000 -6.381 0.088) 6.382 20.087 ( 0.000 -5.872 0.079) 5.872 ======================= Grid point 163 (57/160) ======================= q-point: ( 0.12 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 3.084 11.415 8.043) 14.300 1.369 ( 11.408 9.428 4.756) 15.545 1.502 ( 9.294 3.317 -3.329) 10.415 1.753 ( 2.835 13.868 -0.719) 14.173 1.918 ( -1.376 9.757 2.735) 10.226 2.090 ( 0.737 19.674 -4.561) 20.209 2.285 ( -2.447 19.605 0.297) 19.759 2.362 ( 0.800 15.629 -3.283) 15.991 2.657 ( -5.601 7.176 4.577) 10.189 2.912 ( -4.208 -3.293 -2.735) 6.003 3.029 ( -5.792 -1.149 0.624) 5.938 3.141 ( 9.422 -2.397 -3.260) 10.254 3.999 ( 0.843 4.050 1.061) 4.271 4.193 ( -3.785 -3.575 9.333) 10.687 4.448 ( 8.722 1.420 0.913) 8.884 5.105 ( 0.314 0.150 0.515) 0.622 5.451 ( 1.612 10.751 2.410) 11.135 5.646 ( -2.331 14.461 -0.811) 14.670 6.507 ( -3.762 66.775 2.340) 66.921 6.895 ( -7.064 63.746 -3.675) 64.242 9.864 ( -0.870 12.834 1.627) 12.966 10.094 ( -3.081 10.716 -1.968) 11.322 10.730 ( 3.620 33.532 2.482) 33.818 10.951 ( 7.805 37.046 -1.543) 37.891 11.212 ( 0.644 -2.503 2.987) 3.950 11.624 ( -1.647 -6.431 -3.726) 7.613 12.659 ( 3.433 -17.808 5.065) 18.830 13.127 ( -0.961 -15.753 -2.800) 16.029 14.076 ( -1.978 -26.790 1.522) 26.906 14.306 ( -5.701 -23.228 -3.518) 24.175 14.742 ( 5.051 -16.474 4.359) 17.774 14.972 ( 6.007 -26.032 -0.569) 26.722 18.696 ( -0.060 24.381 4.587) 24.809 19.611 ( -16.998 8.608 -10.486) 21.748 20.108 ( 3.058 -5.596 0.034) 6.378 20.218 ( 8.054 -5.807 -4.104) 10.744 ======================= Grid point 164 (58/160) ======================= q-point: ( 0.25 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 7.595 9.846 6.965) 14.253 1.599 ( 12.535 4.150 5.357) 14.249 1.642 ( 1.714 5.987 -6.147) 8.750 1.891 ( 3.711 10.058 2.658) 11.045 1.899 ( 7.229 13.533 2.521) 15.549 2.118 ( 2.557 18.960 -3.121) 19.385 2.247 ( -1.350 19.445 1.313) 19.536 2.374 ( 1.111 10.550 -4.290) 11.443 2.580 ( -1.904 6.345 4.296) 7.896 2.808 ( -7.459 -1.909 -1.800) 7.907 2.874 ( -8.326 -1.801 2.173) 8.792 3.291 ( 4.847 -4.564 -6.459) 9.276 4.026 ( 2.006 2.133 1.753) 3.413 4.147 ( -1.199 -2.908 7.503) 8.135 4.626 ( 9.393 2.409 -0.539) 9.711 5.087 ( -2.351 -1.753 0.204) 2.940 5.488 ( 1.636 14.307 2.070) 14.548 5.586 ( -3.495 13.800 0.130) 14.236 6.431 ( -3.242 70.864 1.516) 70.954 6.733 ( -8.939 65.729 -3.276) 66.415 9.857 ( 0.330 11.201 1.495) 11.305 10.028 ( -3.488 9.824 -1.186) 10.493 10.812 ( 4.419 33.043 1.735) 33.383 11.054 ( 1.359 32.055 -1.422) 32.115 11.270 ( 5.906 2.029 0.947) 6.316 11.584 ( -2.425 -4.572 -3.204) 6.086 12.749 ( 5.715 -17.681 3.455) 18.901 13.102 ( -1.657 -19.421 -2.546) 19.657 14.038 ( -1.679 -26.427 0.874) 26.495 14.185 ( -6.209 -22.290 -2.125) 23.236 14.866 ( 7.208 -21.218 3.668) 22.707 15.082 ( 4.578 -30.579 -0.481) 30.924 18.701 ( 0.816 24.223 3.234) 24.452 19.282 ( -16.238 15.197 -6.193) 23.087 20.186 ( 4.719 -4.842 0.087) 6.761 20.333 ( 3.894 -5.434 -3.608) 7.597 ======================= Grid point 165 (59/160) ======================= q-point: ( 0.38 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 9.251 7.762 6.511) 13.719 1.592 ( -5.754 4.733 0.424) 7.462 1.832 ( 10.209 6.834 1.664) 12.397 1.909 ( 1.651 18.335 0.138) 18.410 2.059 ( 6.603 9.576 1.991) 11.801 2.180 ( 2.595 18.225 0.271) 18.411 2.232 ( -0.585 18.154 0.928) 18.188 2.427 ( 3.707 2.302 -1.929) 4.771 2.523 ( -9.241 0.445 3.033) 9.736 2.625 ( -6.867 -0.197 1.786) 7.099 2.849 ( 7.732 -0.642 -3.561) 8.536 3.289 ( -5.513 -6.094 -8.104) 11.542 4.072 ( 2.565 0.067 3.095) 4.020 4.134 ( -0.500 -2.223 6.390) 6.784 4.793 ( 7.713 2.493 -0.697) 8.136 5.020 ( -4.376 -0.253 0.699) 4.439 5.495 ( -0.576 16.500 -0.525) 16.519 5.533 ( -1.863 13.557 0.397) 13.690 6.406 ( 0.862 72.815 0.799) 72.824 6.575 ( -7.222 68.271 -2.127) 68.685 9.876 ( 1.600 9.568 1.094) 9.762 9.966 ( -2.937 8.884 -0.316) 9.362 10.893 ( 3.985 32.453 1.015) 32.712 11.030 ( -2.804 29.234 -0.193) 29.368 11.390 ( 5.578 4.524 -1.393) 7.316 11.534 ( -2.698 -2.178 -2.646) 4.361 12.867 ( 6.274 -17.882 1.327) 18.997 13.058 ( -3.087 -20.747 -1.971) 21.068 14.018 ( -0.356 -26.237 0.398) 26.243 14.083 ( -4.160 -23.240 -0.866) 23.626 15.000 ( 6.375 -26.626 2.622) 27.504 15.131 ( 0.407 -32.310 0.219) 32.314 18.736 ( 3.131 23.809 1.485) 24.060 19.010 ( -11.819 20.063 -2.951) 23.472 20.277 ( 4.494 -4.202 -0.215) 6.156 20.372 ( 0.249 -4.587 -2.202) 5.095 ======================= Grid point 166 (60/160) ======================= q-point: (-0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -8.664 5.881 4.702) 11.479 1.449 ( 8.664 5.881 4.702) 11.479 1.927 ( -0.739 16.558 -1.748) 16.666 1.927 ( 0.739 16.558 -1.748) 16.666 2.213 ( -1.038 18.315 0.877) 18.366 2.213 ( 1.038 18.315 0.877) 18.366 2.262 ( -13.536 1.381 4.919) 14.468 2.262 ( 13.536 1.381 4.919) 14.468 2.520 ( -5.074 -0.194 -0.360) 5.091 2.520 ( 5.074 -0.194 -0.360) 5.091 3.093 ( -13.756 -4.412 -6.862) 15.993 3.093 ( 13.756 -4.412 -6.862) 15.993 4.115 ( -1.696 -1.382 4.869) 5.338 4.115 ( 1.696 -1.382 4.869) 5.338 4.922 ( -5.858 1.747 0.349) 6.123 4.922 ( 5.858 1.747 0.349) 6.123 5.501 ( -1.363 15.447 -1.021) 15.541 5.501 ( 1.363 15.447 -1.021) 15.541 6.461 ( -4.577 71.172 -0.406) 71.320 6.461 ( 4.577 71.172 -0.406) 71.320 9.915 ( -2.367 8.710 0.482) 9.038 9.915 ( 2.367 8.710 0.482) 9.038 10.966 ( -3.684 31.120 0.357) 31.339 10.966 ( 3.684 31.120 0.357) 31.339 11.476 ( -3.537 1.159 -2.161) 4.304 11.476 ( 3.537 1.159 -2.161) 4.304 12.979 ( -5.120 -19.300 -0.665) 19.978 12.979 ( 5.120 -19.300 -0.665) 19.978 14.029 ( -1.599 -25.129 -0.053) 25.179 14.029 ( 1.599 -25.129 -0.053) 25.179 15.098 ( -3.629 -30.762 1.363) 31.006 15.098 ( 3.629 -30.762 1.363) 31.006 18.831 ( -6.952 22.678 -0.507) 23.725 18.831 ( 6.952 22.678 -0.507) 23.725 20.348 ( -2.645 -4.079 -0.993) 4.962 20.348 ( 2.645 -4.079 -0.993) 4.962 ======================= Grid point 171 (61/160) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 11.065 3.842) 11.713 1.456 ( 0.000 7.652 -2.328) 7.998 1.468 ( 0.000 3.472 3.311) 4.798 1.906 ( 0.000 5.042 -2.762) 5.749 2.167 ( 0.000 11.360 2.053) 11.544 2.422 ( 0.000 11.952 -7.594) 14.160 2.649 ( 0.000 13.357 -2.802) 13.648 2.673 ( 0.000 12.414 -0.250) 12.417 2.843 ( 0.000 2.679 -0.898) 2.825 2.957 ( 0.000 -0.306 0.681) 0.747 2.983 ( 0.000 5.775 3.805) 6.916 3.076 ( 0.000 -0.385 -0.460) 0.600 4.048 ( 0.000 -0.387 1.721) 1.764 4.217 ( 0.000 1.091 13.658) 13.701 4.316 ( 0.000 -1.318 -4.122) 4.328 4.950 ( 0.000 -10.890 -0.281) 10.894 5.919 ( 0.000 33.401 1.584) 33.439 6.098 ( 0.000 27.154 -1.233) 27.182 7.769 ( 0.000 51.983 2.151) 52.028 8.163 ( 0.000 50.988 -4.518) 51.188 10.133 ( 0.000 9.266 0.982) 9.318 10.340 ( 0.000 7.461 -2.252) 7.794 11.280 ( 0.000 14.575 1.872) 14.695 11.334 ( 0.000 26.801 4.422) 27.163 11.531 ( 0.000 23.744 -1.758) 23.809 11.603 ( 0.000 9.650 -1.602) 9.782 12.238 ( 0.000 -19.989 4.200) 20.426 12.827 ( 0.000 -16.526 -5.465) 17.406 13.563 ( 0.000 -25.005 3.644) 25.269 13.830 ( 0.000 -27.335 -1.820) 27.396 14.427 ( 0.000 -11.528 0.899) 11.563 14.481 ( 0.000 -17.794 -0.138) 17.795 19.109 ( 0.000 15.942 4.612) 16.596 19.881 ( 0.000 -1.366 -7.994) 8.110 19.913 ( 0.000 -8.853 0.140) 8.854 19.942 ( 0.000 -7.804 -1.011) 7.869 ======================= Grid point 172 (62/160) ======================= q-point: ( 0.12 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 2.865 11.282 3.383) 12.122 1.507 ( 5.654 4.611 4.725) 8.692 1.577 ( 9.292 3.656 -3.995) 10.755 1.918 ( 1.603 5.291 -1.206) 5.659 2.175 ( 0.833 11.412 1.454) 11.534 2.427 ( 0.570 11.742 -7.531) 13.961 2.621 ( -3.075 10.901 -2.641) 11.630 2.648 ( -2.287 13.328 0.354) 13.527 2.788 ( -3.050 5.304 2.387) 6.568 2.894 ( -3.092 4.305 0.039) 5.300 3.009 ( -6.802 -0.785 0.779) 6.892 3.111 ( 7.043 -0.165 -0.859) 7.097 4.037 ( -0.712 -1.080 2.097) 2.463 4.159 ( -2.886 1.696 6.899) 7.668 4.439 ( 9.119 -1.747 1.448) 9.398 4.960 ( 0.848 -9.843 0.182) 9.881 5.929 ( 0.974 32.175 1.302) 32.216 6.077 ( -2.062 27.570 -1.090) 27.668 7.751 ( -1.718 52.380 1.999) 52.446 8.106 ( -5.598 51.266 -4.011) 51.726 10.112 ( -1.751 9.302 1.051) 9.524 10.302 ( -3.605 7.470 -1.872) 8.503 11.289 ( 0.785 14.305 1.861) 14.447 11.355 ( 1.847 26.192 3.525) 26.492 11.577 ( 2.570 12.649 -3.415) 13.352 11.636 ( 4.873 20.703 -0.816) 21.285 12.270 ( 3.313 -19.915 4.099) 20.601 12.791 ( -3.539 -17.226 -4.381) 18.123 13.550 ( -1.256 -24.625 3.139) 24.856 13.798 ( -3.219 -25.944 -1.725) 26.200 14.445 ( 1.677 -12.835 0.917) 12.976 14.500 ( 1.813 -19.351 -0.143) 19.436 19.107 ( -0.132 15.940 4.173) 16.478 19.702 ( -10.793 0.858 -4.182) 11.606 19.963 ( 3.292 -8.390 -0.108) 9.014 20.065 ( 6.870 -8.745 -3.628) 11.698 ======================= Grid point 173 (63/160) ======================= q-point: ( 0.25 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 6.007 10.845 3.483) 12.878 1.658 ( 8.719 1.898 2.098) 9.167 1.727 ( 4.848 3.640 -1.714) 6.300 2.008 ( 8.582 3.889 1.119) 9.488 2.194 ( 0.891 10.265 -0.221) 10.306 2.447 ( 1.697 11.226 -7.032) 13.355 2.547 ( -3.305 8.055 -0.111) 8.707 2.609 ( -1.686 15.196 1.101) 15.329 2.747 ( -2.993 8.047 0.911) 8.634 2.823 ( -4.664 6.193 -0.610) 7.777 2.838 ( -8.354 -1.466 2.774) 8.923 3.203 ( 1.752 -3.962 -4.503) 6.248 4.036 ( 0.828 -1.145 2.595) 2.955 4.125 ( -0.875 1.626 4.979) 5.310 4.619 ( 9.059 -2.645 1.612) 9.574 4.971 ( -0.053 -7.637 0.905) 7.691 5.950 ( 0.970 29.894 0.636) 29.917 6.028 ( -2.796 28.564 -0.789) 28.712 7.717 ( -1.372 52.909 1.616) 52.952 7.973 ( -7.530 51.545 -2.735) 52.164 10.082 ( -1.122 9.022 0.999) 9.146 10.222 ( -4.305 7.390 -1.121) 8.625 11.307 ( 1.093 14.613 1.738) 14.756 11.384 ( 0.667 22.302 1.906) 22.393 11.620 ( 2.769 11.020 -3.367) 11.851 11.758 ( 5.824 25.056 -3.371) 25.944 12.361 ( 5.804 -19.551 3.940) 20.771 12.707 ( -4.682 -19.263 -1.432) 19.876 13.523 ( -1.279 -23.949 1.970) 24.064 13.717 ( -4.950 -23.607 -1.453) 24.164 14.485 ( 2.350 -15.900 0.882) 16.097 14.538 ( 1.768 -21.873 -0.081) 21.944 19.110 ( 0.528 15.825 3.094) 16.133 19.498 ( -10.175 6.428 -2.726) 12.341 20.045 ( 4.906 -8.685 -0.079) 9.975 20.170 ( 3.980 -10.063 -2.935) 11.213 ======================= Grid point 174 (64/160) ======================= q-point: ( 0.38 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 7.204 9.412 3.241) 12.288 1.686 ( -3.584 4.386 -1.323) 5.817 1.912 ( 12.847 2.846 4.060) 13.771 2.168 ( 4.902 3.171 -0.577) 5.867 2.203 ( 0.913 5.467 -0.851) 5.608 2.485 ( -1.595 8.159 -0.971) 8.370 2.529 ( 2.307 8.210 -1.241) 8.618 2.552 ( -7.489 7.417 2.366) 10.803 2.597 ( -2.963 14.422 1.279) 14.778 2.725 ( -5.060 10.024 -0.190) 11.231 2.836 ( 5.296 0.130 -1.817) 5.600 3.162 ( -5.956 -6.090 -6.032) 10.437 4.065 ( 1.922 -0.452 2.974) 3.570 4.116 ( -0.404 0.883 4.440) 4.545 4.775 ( 7.017 -3.554 0.884) 7.916 4.950 ( -2.174 -5.650 1.040) 6.142 5.961 ( 0.208 28.780 -0.037) 28.781 5.982 ( -1.748 29.290 -0.563) 29.347 7.710 ( 0.769 52.632 1.052) 52.648 7.839 ( -6.002 51.533 -1.178) 51.895 10.075 ( 0.417 8.390 0.702) 8.429 10.147 ( -3.301 7.406 -0.387) 8.117 11.330 ( 1.310 15.206 1.390) 15.325 11.379 ( -0.898 18.143 1.052) 18.196 11.689 ( 4.272 15.731 -4.236) 16.842 11.818 ( 0.078 23.804 -5.704) 24.478 12.476 ( 5.719 -19.299 3.870) 20.497 12.629 ( -3.342 -20.774 1.949) 21.131 13.511 ( 0.287 -23.365 0.707) 23.378 13.619 ( -4.879 -22.456 -0.998) 23.002 14.528 ( 1.969 -19.242 0.703) 19.356 14.561 ( 0.506 -22.854 0.122) 22.860 19.134 ( 2.239 15.272 1.758) 15.535 19.323 ( -7.815 10.943 -1.157) 13.497 20.137 ( 4.399 -9.153 -0.374) 10.162 20.216 ( 0.836 -10.161 -1.940) 10.379 ======================= Grid point 175 (65/160) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -6.445 7.264 1.717) 9.862 1.585 ( 6.445 7.264 1.717) 9.862 2.132 ( -7.400 3.599 -0.582) 8.249 2.132 ( 7.400 3.599 -0.582) 8.249 2.295 ( -8.657 1.267 2.999) 9.249 2.295 ( 8.657 1.267 2.999) 9.249 2.547 ( -1.588 13.591 1.106) 13.728 2.547 ( 1.588 13.591 1.106) 13.728 2.629 ( -4.755 11.407 -1.006) 12.400 2.629 ( 4.755 11.407 -1.006) 12.400 2.997 ( -10.069 -4.528 -5.023) 12.129 2.997 ( 10.069 -4.528 -5.023) 12.129 4.099 ( -1.413 0.188 3.659) 3.927 4.099 ( 1.413 0.188 3.659) 3.927 4.886 ( -4.555 -4.396 0.752) 6.375 4.886 ( 4.555 -4.396 0.752) 6.375 5.964 ( -0.292 29.078 -0.410) 29.083 5.964 ( 0.292 29.078 -0.410) 29.083 7.749 ( -3.367 51.864 0.164) 51.974 7.749 ( 3.367 51.864 0.164) 51.974 10.097 ( -1.910 7.758 0.229) 7.993 10.097 ( 1.910 7.758 0.229) 7.993 11.356 ( -1.355 16.138 1.049) 16.229 11.356 ( 1.355 16.138 1.049) 16.229 11.773 ( -4.028 20.129 -5.671) 21.297 11.773 ( 4.028 20.129 -5.671) 21.297 12.567 ( -3.664 -20.006 3.590) 20.654 12.567 ( 3.664 -20.006 3.590) 20.654 13.541 ( -2.939 -22.703 -0.307) 22.895 13.541 ( 2.939 -22.703 -0.307) 22.895 14.556 ( -0.910 -21.810 0.418) 21.833 14.556 ( 0.910 -21.810 0.418) 21.833 19.201 ( -4.845 13.810 0.342) 14.639 19.201 ( 4.845 13.810 0.342) 14.639 20.203 ( -2.197 -9.712 -1.026) 10.011 20.203 ( 2.197 -9.712 -1.026) 10.011 ======================= Grid point 180 (66/160) ======================= q-point: ( 0.00 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 7.419 -2.232) 7.747 1.555 ( 0.000 2.599 -3.141) 4.076 1.569 ( 0.000 7.366 5.827) 9.392 2.003 ( 0.000 4.861 -2.507) 5.469 2.291 ( 0.000 -0.045 -1.610) 1.610 2.499 ( 0.000 -3.280 -8.628) 9.230 2.830 ( 0.000 5.746 -2.033) 6.096 2.840 ( 0.000 6.762 3.555) 7.640 2.992 ( 0.000 8.805 -1.686) 8.965 3.050 ( 0.000 7.864 3.107) 8.455 3.076 ( 0.000 0.993 0.524) 1.123 3.115 ( 0.000 6.295 1.865) 6.565 4.012 ( 0.000 -1.544 1.919) 2.464 4.268 ( 0.000 -3.384 -3.651) 4.978 4.292 ( 0.000 4.815 9.020) 10.224 4.744 ( 0.000 -8.809 1.038) 8.870 6.686 ( 0.000 40.568 0.281) 40.569 6.752 ( 0.000 36.031 -0.735) 36.039 8.578 ( 0.000 25.426 2.042) 25.508 8.917 ( 0.000 19.349 -3.787) 19.716 10.254 ( 0.000 7.338 0.427) 7.350 10.372 ( 0.000 -2.013 -1.601) 2.572 11.666 ( 0.000 -2.846 5.719) 6.388 11.846 ( 0.000 26.972 1.522) 27.014 11.899 ( 0.000 11.372 -1.275) 11.444 11.930 ( 0.000 9.996 1.305) 10.081 11.989 ( 0.000 25.427 0.058) 25.427 12.491 ( 0.000 -13.820 -6.724) 15.369 13.090 ( 0.000 -21.144 3.691) 21.464 13.298 ( 0.000 -24.068 -0.896) 24.084 14.187 ( 0.000 -11.902 0.077) 11.902 14.196 ( 0.000 -12.045 -0.066) 12.045 19.351 ( 0.000 8.139 3.422) 8.829 19.733 ( 0.000 -8.080 0.162) 8.081 19.756 ( 0.000 -8.375 -0.185) 8.377 19.829 ( 0.000 -4.973 -4.500) 6.707 ======================= Grid point 181 (67/160) ======================= q-point: ( 0.12 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 3.616 8.322 -1.884) 9.267 1.601 ( 3.519 5.321 3.932) 7.494 1.633 ( 7.045 2.275 -1.765) 7.611 2.019 ( 1.753 4.940 -1.698) 5.510 2.289 ( -0.312 -0.565 -2.031) 2.131 2.501 ( 0.260 -3.091 -8.551) 9.096 2.786 ( -3.266 7.082 0.510) 7.815 2.848 ( 0.450 7.785 2.929) 8.330 2.956 ( -3.109 7.628 -0.989) 8.296 3.014 ( -5.712 2.874 0.809) 6.445 3.060 ( -0.817 9.008 0.599) 9.065 3.133 ( 1.640 2.229 0.972) 2.933 4.008 ( 0.059 -0.539 2.323) 2.385 4.218 ( -2.210 2.544 1.369) 3.638 4.394 ( 7.041 -2.065 3.979) 8.347 4.767 ( 2.065 -8.715 1.054) 9.018 6.675 ( -1.049 39.686 0.268) 39.701 6.737 ( -1.500 36.106 -0.701) 36.144 8.555 ( -2.141 24.758 1.873) 24.920 8.854 ( -6.140 18.903 -3.250) 20.139 10.245 ( -0.767 8.057 0.379) 8.103 10.348 ( -2.289 -0.679 -1.343) 2.739 11.673 ( 0.769 -5.408 4.334) 6.973 11.844 ( 0.353 31.920 0.757) 31.931 11.943 ( 1.533 25.385 -1.174) 25.458 11.958 ( 3.440 -1.269 -0.325) 3.681 12.014 ( 3.722 16.766 1.983) 17.288 12.459 ( -3.152 -12.075 -5.267) 13.546 13.084 ( -0.554 -20.784 3.266) 21.046 13.285 ( -1.368 -23.451 -0.913) 23.509 14.189 ( 0.208 -12.241 0.075) 12.243 14.198 ( 0.200 -12.281 -0.061) 12.283 19.350 ( -0.074 8.231 3.115) 8.801 19.667 ( -5.062 -3.601 -0.890) 6.275 19.783 ( 2.718 -8.764 -0.144) 9.177 19.884 ( 3.787 -8.611 -3.065) 9.893 ======================= Grid point 182 (68/160) ======================= q-point: ( 0.25 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 5.716 9.789 -0.864) 11.369 1.696 ( 5.679 2.314 0.828) 6.188 1.787 ( 8.231 1.992 -0.040) 8.469 2.078 ( 4.676 3.718 0.048) 5.974 2.271 ( -1.707 -1.584 -2.554) 3.456 2.516 ( 1.623 -2.467 -8.349) 8.855 2.737 ( -1.649 9.145 2.127) 9.533 2.815 ( -10.569 0.610 1.381) 10.677 2.860 ( 0.910 9.259 2.487) 9.630 2.941 ( -2.036 9.873 -1.001) 10.130 3.020 ( -3.077 9.739 0.025) 10.214 3.139 ( -1.676 -1.754 -1.562) 2.885 4.028 ( 2.107 1.116 2.716) 3.614 4.186 ( -1.168 3.888 2.355) 4.693 4.536 ( 7.361 -5.119 3.209) 9.523 4.805 ( 1.442 -8.373 1.155) 8.574 6.652 ( -1.219 37.695 0.194) 37.715 6.699 ( -2.242 36.148 -0.580) 36.222 8.506 ( -2.665 22.845 1.457) 23.046 8.707 ( -8.374 18.004 -1.991) 19.956 10.230 ( -0.668 9.037 0.249) 9.065 10.297 ( -2.675 2.267 -0.825) 3.603 11.702 ( 2.453 -8.290 1.307) 8.744 11.859 ( 1.006 35.718 0.750) 35.740 11.943 ( -0.776 28.658 -1.353) 28.701 12.026 ( 2.361 -4.430 -4.075) 6.466 12.130 ( 7.132 6.531 3.538) 10.297 12.387 ( -3.592 -6.239 -0.327) 7.207 13.073 ( -0.468 -19.979 2.141) 20.099 13.244 ( -2.899 -21.940 -0.909) 22.150 14.194 ( 0.335 -12.974 0.069) 12.979 14.203 ( 0.237 -12.854 -0.044) 12.857 19.352 ( 0.348 8.331 2.391) 8.674 19.566 ( -5.191 0.942 -0.738) 5.327 19.851 ( 4.036 -9.775 -0.170) 10.577 19.949 ( 2.785 -10.980 -2.207) 11.541 ======================= Grid point 183 (69/160) ======================= q-point: ( 0.38 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 5.411 9.487 -0.220) 10.924 1.766 ( 0.749 3.435 -2.152) 4.122 1.962 ( 10.309 1.522 2.081) 10.627 2.181 ( 4.529 0.473 0.024) 4.553 2.230 ( -1.758 -1.598 -1.418) 2.767 2.531 ( -7.386 0.644 -1.286) 7.525 2.625 ( 0.283 -0.887 -3.569) 3.688 2.745 ( 0.699 8.199 1.487) 8.362 2.874 ( -0.165 11.146 0.622) 11.164 2.920 ( 0.590 7.625 -0.291) 7.653 2.948 ( -4.294 9.670 -0.854) 10.615 3.068 ( -5.238 -1.400 -1.701) 5.683 4.080 ( 2.993 2.379 2.762) 4.717 4.166 ( -1.201 3.938 3.049) 5.123 4.667 ( 6.042 -6.790 2.389) 9.398 4.810 ( -1.070 -7.887 1.371) 8.076 6.634 ( -0.538 36.039 0.042) 36.043 6.658 ( -1.825 35.898 -0.366) 35.946 8.467 ( -1.043 20.255 0.944) 20.304 8.561 ( -6.293 17.488 -0.667) 18.597 10.223 ( -0.063 8.942 0.091) 8.942 10.254 ( -1.801 5.284 -0.382) 5.596 11.771 ( 4.770 -9.171 -2.238) 10.577 11.881 ( 1.319 36.328 0.610) 36.357 11.921 ( -1.391 26.686 -1.384) 26.758 12.010 ( -4.082 -8.025 -6.978) 11.390 12.258 ( 5.653 3.160 4.477) 7.873 12.349 ( -0.433 0.507 5.180) 5.223 13.074 ( 0.822 -19.307 0.760) 19.340 13.178 ( -3.801 -20.312 -0.759) 20.679 14.201 ( 0.314 -13.578 0.053) 13.582 14.206 ( 0.087 -13.444 -0.014) 13.444 19.367 ( 1.350 8.019 1.535) 8.275 19.474 ( -4.235 4.503 -0.104) 6.182 19.926 ( 3.515 -10.926 -0.417) 11.485 19.984 ( 0.795 -11.882 -1.504) 12.004 ======================= Grid point 184 (70/160) ======================= q-point: (-0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -3.455 7.165 -0.946) 8.010 1.735 ( 3.455 7.165 -0.946) 8.010 2.139 ( -6.443 -1.977 -1.227) 6.850 2.139 ( 6.443 -1.977 -1.227) 6.850 2.323 ( -9.474 2.302 2.788) 10.140 2.323 ( 9.474 2.302 2.788) 10.140 2.724 ( -4.472 1.013 -3.565) 5.808 2.724 ( 4.472 1.013 -3.565) 5.808 2.875 ( -1.990 11.054 -0.847) 11.264 2.875 ( 1.990 11.054 -0.847) 11.264 2.970 ( -4.181 4.232 0.280) 5.956 2.970 ( 4.181 4.232 0.280) 5.956 4.133 ( -2.292 3.291 2.972) 4.992 4.133 ( 2.292 3.291 2.972) 4.992 4.763 ( -3.839 -7.467 1.747) 8.576 4.763 ( 3.839 -7.467 1.747) 8.576 6.634 ( -0.628 35.589 -0.144) 35.595 6.634 ( 0.628 35.589 -0.144) 35.595 8.477 ( -2.331 18.171 0.306) 18.322 8.477 ( 2.331 18.171 0.306) 18.322 10.229 ( -0.768 7.613 -0.096) 7.653 10.229 ( 0.768 7.613 -0.096) 7.653 11.872 ( -4.519 4.087 -4.351) 7.487 11.872 ( 4.519 4.087 -4.351) 7.487 11.919 ( -3.142 18.355 -1.292) 18.667 11.919 ( 3.142 18.355 -1.292) 18.667 12.333 ( -2.079 1.880 5.484) 6.159 12.333 ( 2.079 1.880 5.484) 6.159 13.110 ( -2.922 -19.327 -0.279) 19.549 13.110 ( 2.922 -19.327 -0.279) 19.549 14.205 ( -0.144 -13.742 0.023) 13.743 14.205 ( 0.144 -13.742 0.023) 13.743 19.406 ( -2.771 6.847 0.685) 7.418 19.406 ( 2.771 6.847 0.685) 7.418 19.977 ( -1.599 -11.752 -0.886) 11.893 19.977 ( 1.599 -11.752 -0.886) 11.893 ======================= Grid point 189 (71/160) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 3.119 -2.286) 3.867 1.577 ( 0.000 -0.197 -2.724) 2.731 1.767 ( 0.000 11.031 2.620) 11.338 2.108 ( 0.000 5.171 -3.206) 6.084 2.195 ( 0.000 -7.565 -2.609) 8.003 2.384 ( 0.000 -6.846 -6.284) 9.293 2.936 ( 0.000 4.199 1.483) 4.454 2.948 ( 0.000 3.459 2.340) 4.176 3.091 ( 0.000 1.428 -0.648) 1.568 3.112 ( 0.000 2.815 -0.695) 2.899 3.211 ( 0.000 5.838 2.647) 6.410 3.231 ( 0.000 4.535 0.979) 4.639 4.013 ( 0.000 1.798 -0.735) 1.943 4.181 ( 0.000 -4.950 -3.986) 6.356 4.391 ( 0.000 4.782 7.310) 8.735 4.595 ( 0.000 -6.028 3.518) 6.979 7.521 ( 0.000 38.297 -0.298) 38.298 7.527 ( 0.000 40.955 -0.430) 40.957 8.729 ( 0.000 -10.667 0.929) 10.707 8.889 ( 0.000 -18.815 -1.890) 18.910 10.439 ( 0.000 11.345 0.900) 11.381 10.595 ( 0.000 25.050 -1.450) 25.092 11.272 ( 0.000 -23.453 4.979) 23.976 11.717 ( 0.000 -22.929 -1.925) 23.010 12.154 ( 0.000 12.627 0.265) 12.630 12.375 ( 0.000 4.710 -5.228) 7.037 12.664 ( 0.000 31.615 0.731) 31.624 12.694 ( 0.000 9.989 4.155) 10.819 12.735 ( 0.000 10.342 -0.151) 10.343 12.900 ( 0.000 -8.286 -0.482) 8.300 13.893 ( 0.000 -18.732 0.253) 18.733 13.920 ( 0.000 -16.458 -0.120) 16.459 19.460 ( 0.000 3.123 1.725) 3.568 19.604 ( 0.000 -6.090 -0.404) 6.104 19.615 ( 0.000 -2.873 0.317) 2.891 19.715 ( 0.000 -5.729 -1.532) 5.931 ======================= Grid point 190 (72/160) ======================= q-point: ( 0.12 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 4.700 3.298 -2.280) 6.178 1.631 ( 5.239 -0.609 -2.911) 6.025 1.787 ( 2.121 10.390 2.710) 10.945 2.125 ( 1.737 5.295 -2.822) 6.247 2.193 ( -0.322 -7.345 -2.666) 7.820 2.392 ( 0.890 -6.543 -6.296) 9.124 2.914 ( -1.767 4.649 2.142) 5.415 2.949 ( -1.414 2.100 2.094) 3.286 3.035 ( -4.069 3.484 -0.662) 5.398 3.096 ( -1.890 1.702 -1.575) 2.992 3.207 ( -0.637 5.076 2.453) 5.674 3.216 ( -1.487 4.875 0.761) 5.153 4.032 ( 2.034 2.913 0.236) 3.561 4.211 ( 2.703 -3.449 -3.712) 5.743 4.400 ( 0.993 2.970 7.549) 8.173 4.610 ( 1.368 -6.779 2.986) 7.532 7.499 ( -2.634 40.134 -0.326) 40.221 7.503 ( -1.873 37.983 -0.324) 38.031 8.695 ( -3.401 -10.835 0.817) 11.386 8.831 ( -5.728 -18.081 -1.587) 19.033 10.441 ( 0.242 12.197 0.840) 12.228 10.586 ( -0.874 24.483 -1.353) 24.536 11.280 ( 0.901 -23.292 4.317) 23.706 11.698 ( -2.059 -23.832 -2.289) 24.030 12.187 ( 3.297 11.490 0.517) 11.965 12.388 ( 1.213 5.241 -4.280) 6.874 12.667 ( 0.360 28.682 0.755) 28.694 12.699 ( 0.497 14.276 3.576) 14.726 12.734 ( -0.193 9.294 -0.084) 9.297 12.896 ( -0.435 -7.628 -0.513) 7.658 13.896 ( 0.246 -18.573 0.240) 18.576 13.921 ( 0.057 -16.376 -0.107) 16.376 19.462 ( 0.263 3.406 1.607) 3.775 19.598 ( -1.069 -2.490 -0.347) 2.732 19.627 ( 1.642 -5.730 0.227) 5.965 19.725 ( 1.002 -6.727 -1.393) 6.942 ======================= Grid point 191 (73/160) ======================= q-point: ( 0.25 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 7.580 3.636 -2.495) 8.770 1.750 ( 6.213 0.851 -3.286) 7.080 1.850 ( 4.558 6.713 2.809) 8.587 2.171 ( 1.804 3.689 -2.775) 4.956 2.182 ( 0.273 -4.789 -1.659) 5.076 2.422 ( 2.517 -5.877 -6.244) 8.937 2.827 ( -9.867 1.521 1.066) 10.041 2.871 ( -3.105 2.506 1.440) 4.242 3.014 ( 1.059 5.118 0.526) 5.253 3.053 ( -2.092 1.988 -2.057) 3.544 3.171 ( -2.789 5.232 1.027) 6.017 3.185 ( -1.844 4.839 1.365) 5.356 4.089 ( 3.753 4.712 1.709) 6.261 4.262 ( 1.979 2.094 -1.310) 3.165 4.435 ( 2.933 -3.155 6.254) 7.594 4.635 ( 0.979 -8.133 2.227) 8.489 7.438 ( -3.398 38.364 -0.097) 38.514 7.455 ( -2.900 36.974 -0.340) 37.089 8.612 ( -4.779 -11.356 0.582) 12.334 8.694 ( -7.760 -16.447 -0.886) 18.207 10.450 ( 0.714 14.205 0.633) 14.237 10.563 ( -1.506 22.995 -1.085) 23.069 11.310 ( 2.233 -23.142 2.644) 23.400 11.639 ( -3.995 -25.144 -2.789) 25.612 12.269 ( 4.882 8.928 1.008) 10.225 12.417 ( 1.652 5.601 -2.056) 6.191 12.679 ( 0.830 26.502 0.427) 26.518 12.710 ( 0.656 24.231 2.258) 24.345 12.729 ( -0.271 2.624 0.243) 2.649 12.879 ( -1.482 -5.958 -0.539) 6.163 13.902 ( 0.389 -18.135 0.201) 18.140 13.922 ( 0.012 -16.275 -0.072) 16.275 19.471 ( 0.594 3.986 1.315) 4.239 19.570 ( -1.669 0.365 -0.123) 1.713 19.670 ( 2.613 -7.448 0.008) 7.893 19.747 ( 1.087 -8.364 -1.136) 8.510 ======================= Grid point 192 (74/160) ======================= q-point: ( 0.38 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 5.593 4.919 -2.663) 7.910 1.842 ( 3.202 5.299 -2.485) 6.672 1.962 ( 6.586 -0.692 0.791) 6.669 2.141 ( -2.565 -4.787 -2.889) 6.151 2.258 ( 5.449 4.840 0.106) 7.289 2.496 ( 4.663 -4.814 -5.466) 8.648 2.619 ( -10.465 2.196 1.106) 10.750 2.784 ( -6.178 -3.356 -1.630) 7.217 3.032 ( 0.293 5.009 -0.698) 5.066 3.046 ( 1.997 5.257 0.958) 5.705 3.113 ( -3.048 6.311 0.654) 7.039 3.142 ( -2.569 4.799 1.095) 5.553 4.167 ( 4.061 5.989 2.553) 7.673 4.273 ( -0.787 6.380 1.920) 6.709 4.510 ( 4.463 -8.122 3.646) 9.959 4.636 ( -1.136 -9.015 2.060) 9.317 7.384 ( -1.919 36.510 0.038) 36.561 7.401 ( -2.466 35.997 -0.216) 36.082 8.530 ( -3.277 -12.236 0.375) 12.673 8.562 ( -5.372 -14.782 -0.209) 15.730 10.469 ( 1.265 16.524 0.263) 16.574 10.531 ( -1.765 21.000 -0.687) 21.085 11.367 ( 3.787 -23.514 0.565) 23.824 11.550 ( -5.068 -25.287 -2.548) 25.915 12.361 ( 4.318 6.400 1.377) 7.843 12.440 ( 0.420 4.993 0.184) 5.014 12.695 ( 0.734 28.419 0.101) 28.429 12.716 ( -0.346 33.521 -0.064) 33.523 12.738 ( 1.640 -7.242 1.216) 7.525 12.838 ( -2.642 -3.837 -0.417) 4.678 13.910 ( 0.396 -17.520 0.138) 17.525 13.921 ( -0.134 -16.417 -0.015) 16.417 19.486 ( 0.973 4.320 0.938) 4.527 19.537 ( -1.664 2.570 0.176) 3.066 19.719 ( 2.315 -8.818 -0.237) 9.119 19.761 ( 0.250 -9.439 -0.846) 9.481 ======================= Grid point 193 (75/160) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -0.526 6.054 -2.238) 6.476 1.870 ( 0.526 6.054 -2.238) 6.476 2.074 ( -4.636 -4.011 -1.924) 6.425 2.074 ( 4.636 -4.011 -1.924) 6.425 2.398 ( -9.246 4.899 1.050) 10.516 2.398 ( 9.246 4.899 1.050) 10.516 2.645 ( -7.639 -6.125 -3.875) 10.530 2.645 ( 7.639 -6.125 -3.875) 10.530 3.059 ( -2.225 6.643 0.358) 7.015 3.059 ( 2.225 6.643 0.358) 7.015 3.092 ( -2.472 4.989 0.937) 5.646 3.092 ( 2.472 4.989 0.937) 5.646 4.236 ( -2.956 6.765 2.821) 7.903 4.236 ( 2.956 6.765 2.821) 7.903 4.590 ( -3.523 -9.209 2.477) 10.166 4.590 ( 3.523 -9.209 2.477) 10.166 7.370 ( -0.550 35.661 -0.027) 35.666 7.370 ( 0.550 35.661 -0.027) 35.666 8.502 ( -0.709 -13.393 0.180) 13.413 8.502 ( 0.709 -13.393 0.180) 13.413 10.498 ( -1.658 18.805 -0.209) 18.879 10.498 ( 1.658 18.805 -0.209) 18.879 11.452 ( -4.926 -24.440 -1.334) 24.967 11.452 ( 4.926 -24.440 -1.334) 24.967 12.425 ( -2.123 4.934 1.318) 5.531 12.425 ( 2.123 4.934 1.318) 5.531 12.707 ( -0.524 28.677 -0.003) 28.681 12.707 ( 0.524 28.677 -0.003) 28.681 12.783 ( -2.874 -2.434 0.067) 3.767 12.783 ( 2.874 -2.434 0.067) 3.767 13.917 ( -0.296 -16.880 0.060) 16.883 13.917 ( 0.296 -16.880 0.060) 16.883 19.508 ( -1.363 3.925 0.544) 4.191 19.508 ( 1.363 3.925 0.544) 4.191 19.753 ( -1.123 -9.587 -0.535) 9.668 19.753 ( 1.123 -9.587 -0.535) 9.668 ======================= Grid point 198 (76/160) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 -1.759 -2.146) 2.775 1.556 ( 0.000 1.759 -2.146) 2.775 1.991 ( 0.000 -10.662 -0.540) 10.676 1.991 ( 0.000 10.662 -0.540) 10.676 2.243 ( 0.000 -6.693 -4.765) 8.216 2.243 ( 0.000 6.693 -4.765) 8.216 2.981 ( 0.000 -0.198 2.136) 2.145 2.981 ( 0.000 0.198 2.136) 2.145 3.123 ( 0.000 -1.177 -0.704) 1.372 3.123 ( 0.000 1.177 -0.704) 1.372 3.276 ( 0.000 -0.421 1.726) 1.777 3.276 ( 0.000 0.421 1.726) 1.777 4.081 ( 0.000 -4.519 -3.171) 5.521 4.081 ( 0.000 4.519 -3.171) 5.521 4.487 ( 0.000 -4.801 5.739) 7.482 4.487 ( 0.000 4.801 5.739) 7.482 8.252 ( 0.000 -27.308 -0.414) 27.312 8.252 ( 0.000 27.308 -0.414) 27.312 8.318 ( 0.000 -30.229 -0.461) 30.232 8.318 ( 0.000 30.229 -0.461) 30.232 10.800 ( 0.000 -21.925 3.320) 22.175 10.800 ( 0.000 21.925 3.320) 22.175 11.166 ( 0.000 -29.090 -2.449) 29.192 11.166 ( 0.000 29.090 -2.449) 29.192 12.384 ( 0.000 -9.275 -1.073) 9.337 12.384 ( 0.000 9.275 -1.073) 9.337 12.582 ( 0.000 -7.375 0.927) 7.433 12.582 ( 0.000 7.375 0.927) 7.433 13.382 ( 0.000 -16.967 -1.068) 17.001 13.382 ( 0.000 16.967 -1.068) 17.001 13.470 ( 0.000 -17.252 1.423) 17.310 13.470 ( 0.000 17.252 1.423) 17.310 19.513 ( 0.000 -3.004 -0.074) 3.005 19.513 ( 0.000 3.004 -0.074) 3.005 19.621 ( 0.000 -2.951 0.276) 2.963 19.621 ( 0.000 2.951 0.276) 2.963 ======================= Grid point 200 (77/160) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 4.872 -1.932 -2.161) 5.669 1.604 ( 4.872 1.932 -2.161) 5.669 2.001 ( 0.948 -10.208 -0.589) 10.268 2.001 ( 0.948 10.208 -0.589) 10.268 2.255 ( 1.313 -6.585 -4.649) 8.167 2.255 ( 1.313 6.585 -4.649) 8.167 2.964 ( -2.408 -0.554 1.930) 3.135 2.964 ( -2.408 0.554 1.930) 3.135 3.093 ( -2.320 -1.745 -0.819) 3.016 3.093 ( -2.320 1.745 -0.819) 3.016 3.265 ( -1.098 -0.298 1.557) 1.928 3.265 ( -1.098 0.298 1.557) 1.928 4.117 ( 3.540 -4.967 -2.238) 6.497 4.117 ( 3.540 4.967 -2.238) 6.497 4.488 ( 0.001 -5.251 5.400) 7.532 4.488 ( 0.001 5.251 5.400) 7.532 8.221 ( -3.051 -23.790 -0.626) 23.993 8.221 ( -3.051 23.790 -0.626) 23.993 8.277 ( -3.964 -26.475 -0.125) 26.770 8.277 ( -3.964 26.475 -0.125) 26.770 10.809 ( 0.976 -21.975 2.967) 22.196 10.809 ( 0.976 21.975 2.967) 22.196 11.146 ( -2.023 -28.657 -2.341) 28.823 11.146 ( -2.023 28.657 -2.341) 28.823 12.402 ( 1.736 -8.954 -0.819) 9.157 12.402 ( 1.736 8.954 -0.819) 9.157 12.584 ( 0.184 -7.357 0.802) 7.403 12.584 ( 0.184 7.357 0.802) 7.403 13.388 ( 0.601 -17.401 -0.973) 17.439 13.388 ( 0.601 17.401 -0.973) 17.439 13.472 ( 0.144 -17.540 1.306) 17.589 13.472 ( 0.144 17.540 1.306) 17.589 19.522 ( 0.905 -3.303 -0.078) 3.425 19.522 ( 0.905 3.303 -0.078) 3.425 19.621 ( 0.004 -3.211 0.258) 3.222 19.621 ( 0.004 3.211 0.258) 3.222 ======================= Grid point 202 (78/160) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 7.646 -2.006 -2.252) 8.219 1.729 ( 7.646 2.006 -2.252) 8.219 2.021 ( 0.881 -8.662 -0.870) 8.750 2.021 ( 0.881 8.662 -0.870) 8.750 2.295 ( 2.962 -6.336 -4.147) 8.131 2.295 ( 2.962 6.336 -4.147) 8.131 2.864 ( -7.681 -1.867 0.440) 7.916 2.864 ( -7.681 1.867 0.440) 7.916 3.072 ( 0.333 -0.730 0.108) 0.810 3.072 ( 0.333 0.730 0.108) 0.810 3.234 ( -2.139 -0.427 1.138) 2.461 3.234 ( -2.139 0.427 1.138) 2.461 4.205 ( 5.315 -5.918 -0.246) 7.958 4.205 ( 5.315 5.918 -0.246) 7.958 4.483 ( -0.590 -6.331 4.572) 7.832 4.483 ( -0.590 6.331 4.572) 7.832 8.144 ( -4.544 -10.635 -0.950) 11.604 8.144 ( -4.544 10.635 -0.950) 11.604 8.183 ( -5.295 -12.637 0.527) 13.712 8.183 ( -5.295 12.637 0.527) 13.712 10.838 ( 1.980 -22.255 2.039) 22.435 10.838 ( 1.980 22.255 2.039) 22.435 11.092 ( -3.378 -27.476 -1.987) 27.754 11.092 ( -3.378 27.476 -1.987) 27.754 12.446 ( 2.701 -8.098 -0.294) 8.542 12.446 ( 2.701 8.098 -0.294) 8.542 12.585 ( -0.154 -7.195 0.555) 7.218 12.585 ( -0.154 7.195 0.555) 7.218 13.405 ( 1.052 -18.312 -0.703) 18.356 13.405 ( 1.052 18.312 -0.703) 18.356 13.473 ( -0.087 -18.200 0.994) 18.227 13.473 ( -0.087 18.200 0.994) 18.227 19.545 ( 1.449 -4.013 -0.074) 4.267 19.545 ( 1.449 4.013 -0.074) 4.267 19.620 ( -0.144 -3.905 0.205) 3.913 19.620 ( -0.144 3.905 0.205) 3.913 ======================= Grid point 204 (79/160) ======================= q-point: ( 0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 7.041 -2.169 -2.435) 7.759 1.876 ( 7.041 2.169 -2.435) 7.759 2.025 ( -0.779 -6.137 -1.573) 6.383 2.025 ( -0.779 6.137 -1.573) 6.383 2.376 ( 5.642 -6.261 -2.980) 8.940 2.376 ( 5.642 6.261 -2.980) 8.940 2.693 ( -9.584 -4.565 -0.628) 10.634 2.693 ( -9.584 4.565 -0.628) 10.634 3.095 ( 1.775 -0.556 0.575) 1.947 3.095 ( 1.775 0.556 0.575) 1.947 3.187 ( -2.647 -0.694 0.778) 2.845 3.187 ( -2.647 0.694 0.778) 2.845 4.309 ( 5.315 -6.893 1.583) 8.847 4.309 ( 5.315 6.893 1.583) 8.847 4.459 ( -2.088 -7.279 3.657) 8.409 4.459 ( -2.088 7.279 3.657) 8.409 8.067 ( -2.969 -3.705 -0.600) 4.785 8.067 ( -2.968 3.704 -0.600) 4.785 8.091 ( -3.938 -2.669 0.540) 4.787 8.091 ( -3.938 2.669 0.540) 4.788 10.885 ( 2.927 -22.994 0.830) 23.194 10.885 ( 2.927 22.994 0.830) 23.194 11.022 ( -3.864 -25.875 -1.329) 26.195 11.022 ( -3.864 25.875 -1.329) 26.195 12.499 ( 2.712 -7.128 0.111) 7.627 12.499 ( 2.712 7.128 0.111) 7.627 12.575 ( -1.013 -6.839 0.378) 6.924 12.575 ( -1.013 6.839 0.378) 6.924 13.427 ( 1.240 -19.030 -0.312) 19.073 13.427 ( 1.240 19.030 -0.312) 19.073 13.467 ( -0.620 -18.859 0.578) 18.879 13.467 ( -0.620 18.860 0.578) 18.879 19.574 ( 1.463 -4.712 -0.041) 4.934 19.574 ( 1.463 4.712 -0.041) 4.934 19.614 ( -0.527 -4.652 0.122) 4.683 19.614 ( -0.527 4.652 0.122) 4.683 ======================= Grid point 206 (80/160) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -3.301 -4.892 -2.304) 6.335 1.982 ( 1.795 -4.692 -2.304) 5.526 1.982 ( -1.795 4.692 -2.304) 5.526 1.982 ( 3.301 4.892 -2.304) 6.335 2.514 ( -8.493 -6.269 -1.604) 10.677 2.514 ( 6.053 -5.516 -1.604) 8.345 2.514 ( -6.053 5.516 -1.604) 8.345 2.514 ( 8.493 6.269 -1.604) 10.677 3.136 ( -2.481 -0.802 0.648) 2.686 3.136 ( -2.291 0.646 0.648) 2.467 3.136 ( 2.291 -0.646 0.648) 2.467 3.136 ( 2.481 0.802 0.648) 2.686 4.400 ( -3.522 -9.005 2.783) 10.062 4.400 ( 2.923 -8.951 2.783) 9.819 4.400 ( -2.923 8.951 2.783) 9.819 4.400 ( 3.522 9.005 2.783) 10.062 8.044 ( -0.196 -29.338 0.049) 29.338 8.044 ( 0.180 -29.338 0.049) 29.338 8.044 ( -0.180 29.338 0.049) 29.338 8.044 ( 0.196 29.338 0.049) 29.338 10.949 ( -3.629 -24.293 -0.361) 24.565 10.949 ( 3.627 -24.293 -0.361) 24.565 10.949 ( -3.627 24.293 -0.361) 24.565 10.949 ( 3.629 24.293 -0.361) 24.565 12.545 ( -1.777 -7.814 0.284) 8.019 12.545 ( 1.630 -7.806 0.284) 7.980 12.545 ( -1.630 7.806 0.284) 7.980 12.545 ( 1.777 7.814 0.284) 8.019 13.450 ( -0.717 -29.615 0.131) 29.624 13.450 ( 0.694 -29.615 0.131) 29.623 13.450 ( -0.694 29.615 0.131) 29.623 13.450 ( 0.717 29.615 0.131) 29.624 19.599 ( -0.954 -5.629 0.031) 5.709 19.599 ( 0.910 -5.627 0.031) 5.700 19.599 ( -0.910 5.627 0.031) 5.700 19.599 ( 0.954 5.629 0.031) 5.709 ======================= Grid point 270 (81/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( 0.000 0.000 3.522) 3.522 0.258 ( 0.000 0.000 -0.433) 0.433 0.788 ( 0.000 0.000 19.028) 19.028 1.200 ( 0.000 0.000 19.600) 19.600 1.246 ( 0.000 0.000 3.598) 3.598 1.370 ( 0.000 0.000 1.983) 1.983 1.387 ( 0.000 0.000 -3.145) 3.145 1.920 ( 0.000 0.000 -4.698) 4.698 2.519 ( 0.000 0.000 2.912) 2.912 2.568 ( 0.000 0.000 7.730) 7.730 2.663 ( 0.000 0.000 -4.049) 4.049 2.975 ( 0.000 0.000 -2.901) 2.901 2.994 ( 0.000 0.000 -10.261) 10.261 3.068 ( 0.000 0.000 -4.691) 4.691 3.951 ( 0.000 0.000 3.696) 3.696 4.216 ( 0.000 0.000 -11.228) 11.228 5.083 ( 0.000 0.000 8.169) 8.169 5.326 ( 0.000 0.000 -4.211) 4.211 6.187 ( 0.000 0.000 12.224) 12.224 6.596 ( 0.000 0.000 -8.301) 8.301 9.135 ( 0.000 0.000 1.399) 1.399 9.192 ( 0.000 0.000 -1.355) 1.355 9.545 ( 0.000 0.000 4.804) 4.804 9.744 ( 0.000 0.000 -4.772) 4.772 11.512 ( 0.000 0.000 7.484) 7.484 11.841 ( 0.000 0.000 -8.506) 8.506 13.684 ( 0.000 0.000 4.201) 4.201 13.837 ( 0.000 0.000 -3.271) 3.271 15.433 ( 0.000 0.000 0.829) 0.829 15.477 ( 0.000 0.000 -1.319) 1.319 15.843 ( 0.000 0.000 0.909) 0.909 15.867 ( 0.000 0.000 -0.313) 0.313 17.197 ( 0.000 0.000 0.014) 0.014 17.199 ( 0.000 0.000 -0.109) 0.109 20.213 ( 0.000 0.000 0.023) 0.023 20.214 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 271 (82/160) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 12.808 0.000 1.673) 12.917 0.390 ( 11.187 0.000 -0.227) 11.189 0.805 ( 6.557 0.000 16.576) 17.826 1.242 ( -0.407 0.000 3.332) 3.357 1.356 ( 6.091 0.000 -9.937) 11.655 1.374 ( -1.399 0.000 -2.953) 3.268 1.516 ( 19.490 0.000 22.103) 29.469 1.941 ( 2.869 0.000 2.353) 3.710 2.503 ( -1.582 0.000 2.762) 3.182 2.588 ( 1.558 0.000 10.079) 10.199 2.637 ( -2.542 0.000 -3.752) 4.532 2.940 ( -3.965 0.000 -7.990) 8.920 3.063 ( 2.804 0.000 -4.929) 5.671 3.120 ( 7.111 0.000 -7.836) 10.581 3.987 ( 3.876 0.000 4.252) 5.753 4.272 ( 5.821 0.000 -11.224) 12.643 4.841 ( -20.316 0.000 12.374) 23.787 5.197 ( -11.678 0.000 -7.206) 13.722 6.133 ( -5.833 0.000 12.664) 13.943 6.514 ( -8.868 0.000 -6.035) 10.727 9.139 ( 0.417 0.000 1.293) 1.358 9.192 ( -0.028 0.000 -1.252) 1.252 9.568 ( 2.163 0.000 4.857) 5.317 9.768 ( 1.606 0.000 -4.614) 4.886 11.534 ( 2.802 0.000 6.924) 7.470 11.831 ( -0.609 0.000 -7.353) 7.378 13.517 ( -9.605 0.000 9.787) 13.713 13.870 ( -1.278 0.000 -10.378) 10.457 15.432 ( -0.080 0.000 0.666) 0.671 15.447 ( -1.817 0.000 0.724) 1.956 15.804 ( 10.202 0.000 12.324) 15.998 16.365 ( 27.613 0.000 -21.212) 34.820 17.197 ( 0.060 0.000 0.015) 0.062 17.200 ( 0.040 0.000 -0.098) 0.106 20.213 ( -0.062 0.000 0.025) 0.067 20.213 ( -0.041 0.000 -0.005) 0.041 ======================= Grid point 272 (83/160) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 12.588 0.000 0.679) 12.606 0.621 ( 12.069 0.000 -0.109) 12.070 1.040 ( 15.576 0.000 12.195) 19.782 1.228 ( -1.102 0.000 2.582) 2.807 1.333 ( -2.924 0.000 -2.403) 3.784 1.501 ( 9.503 0.000 -11.645) 15.031 1.887 ( 14.347 0.000 16.683) 22.004 2.070 ( 12.196 0.000 7.706) 14.427 2.465 ( -2.134 0.000 2.271) 3.117 2.571 ( -4.088 0.000 -2.886) 5.004 2.632 ( 3.903 0.000 8.324) 9.194 2.852 ( -5.032 0.000 -7.770) 9.257 2.999 ( -8.562 0.000 1.405) 8.677 3.276 ( 5.387 0.000 -12.647) 13.747 4.110 ( 9.096 0.000 6.813) 11.364 4.403 ( 3.585 0.000 -7.422) 8.242 4.495 ( -10.805 0.000 12.067) 16.197 4.985 ( -6.822 0.000 -13.902) 15.485 5.945 ( -14.017 0.000 11.413) 18.075 6.266 ( -16.087 0.000 -3.898) 16.552 9.150 ( 0.686 0.000 0.990) 1.204 9.190 ( -0.138 0.000 -0.958) 0.968 9.617 ( 2.702 0.000 4.232) 5.021 9.781 ( -0.354 0.000 -3.244) 3.264 11.623 ( 6.083 0.000 5.671) 8.316 11.832 ( 0.764 0.000 -3.843) 3.918 13.398 ( -2.862 0.000 6.516) 7.116 13.785 ( -6.756 0.000 -13.105) 14.744 15.429 ( -0.267 0.000 1.404) 1.429 15.432 ( 0.001 0.000 0.529) 0.529 16.103 ( 18.460 0.000 12.771) 22.447 16.752 ( 11.801 0.000 -22.427) 25.343 17.199 ( 0.089 0.000 0.015) 0.090 17.201 ( 0.052 0.000 -0.071) 0.088 20.211 ( -0.071 0.000 0.024) 0.075 20.212 ( -0.074 0.000 -0.011) 0.075 ======================= Grid point 273 (84/160) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 9.101 0.000 0.359) 9.108 0.830 ( 8.978 0.000 -0.134) 8.979 1.200 ( -1.660 0.000 1.445) 2.200 1.263 ( -4.220 0.000 -1.549) 4.496 1.336 ( 14.318 0.000 12.642) 19.101 1.642 ( 2.291 0.000 -0.591) 2.366 2.103 ( 12.194 0.000 12.166) 17.225 2.345 ( 13.050 0.000 1.210) 13.106 2.432 ( -0.935 0.000 1.350) 1.642 2.492 ( -3.799 0.000 -1.553) 4.105 2.695 ( -5.202 0.000 -0.339) 5.213 2.760 ( -8.668 0.000 -0.133) 8.669 2.827 ( 4.093 0.000 -1.614) 4.400 3.262 ( -7.030 0.000 -15.138) 16.691 4.265 ( 2.007 0.000 7.251) 7.524 4.300 ( -3.397 0.000 3.789) 5.089 4.560 ( 12.258 0.000 5.241) 13.332 5.014 ( 5.931 0.000 -11.127) 12.609 5.632 ( -15.183 0.000 6.718) 16.603 5.930 ( -18.213 0.000 -5.590) 19.052 9.164 ( 0.732 0.000 0.538) 0.909 9.186 ( -0.346 0.000 -0.516) 0.621 9.668 ( 2.605 0.000 2.547) 3.643 9.758 ( -1.836 0.000 -1.527) 2.388 11.743 ( 5.817 0.000 4.955) 7.641 11.849 ( 0.427 0.000 0.510) 0.665 13.398 ( 2.575 0.000 -0.507) 2.624 13.636 ( -8.226 0.000 -11.592) 14.214 15.428 ( 0.118 0.000 1.080) 1.086 15.432 ( -0.015 0.000 0.547) 0.547 16.450 ( 16.671 0.000 7.425) 18.249 16.840 ( -1.669 0.000 -12.601) 12.712 17.200 ( 0.074 0.000 0.010) 0.074 17.201 ( 0.026 0.000 -0.037) 0.045 20.210 ( -0.037 0.000 0.015) 0.040 20.211 ( -0.066 0.000 -0.009) 0.066 ======================= Grid point 274 (85/160) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -0.520 0.000 0.145) 0.540 0.924 ( 0.520 0.000 0.145) 0.540 1.193 ( -1.961 0.000 -0.202) 1.972 1.193 ( 1.961 0.000 -0.202) 1.972 1.566 ( -9.001 0.000 11.045) 14.248 1.566 ( 9.001 0.000 11.045) 14.248 2.375 ( -13.636 0.000 3.612) 14.107 2.375 ( 13.636 0.000 3.612) 14.107 2.438 ( -1.637 0.000 -0.009) 1.637 2.438 ( 1.637 0.000 -0.009) 1.637 2.616 ( -6.314 0.000 0.185) 6.317 2.616 ( 6.314 0.000 0.185) 6.317 3.046 ( -13.563 0.000 -12.378) 18.363 3.046 ( 13.563 0.000 -12.378) 18.363 4.264 ( -1.137 0.000 3.237) 3.431 4.264 ( 1.137 0.000 3.237) 3.431 4.903 ( -18.060 0.000 8.147) 19.813 4.903 ( 18.060 0.000 8.147) 19.813 5.608 ( -12.888 0.000 -7.494) 14.908 5.608 ( 12.888 0.000 -7.494) 14.908 9.177 ( -0.584 0.000 0.009) 0.584 9.177 ( 0.584 0.000 0.009) 0.584 9.716 ( -2.424 0.000 0.443) 2.464 9.716 ( 2.424 0.000 0.443) 2.464 11.829 ( -2.795 0.000 3.652) 4.599 11.829 ( 2.795 0.000 3.652) 4.599 13.489 ( -6.630 0.000 -7.134) 9.740 13.489 ( 6.630 0.000 -7.134) 9.740 15.431 ( -0.130 0.000 0.746) 0.758 15.431 ( 0.130 0.000 0.746) 0.758 16.717 ( -10.622 0.000 -1.703) 10.758 16.717 ( 10.622 0.000 -1.703) 10.758 17.201 ( -0.026 0.000 -0.008) 0.027 17.201 ( 0.026 0.000 -0.008) 0.027 20.210 ( -0.020 0.000 0.001) 0.020 20.210 ( 0.020 0.000 0.001) 0.020 ======================= Grid point 279 (86/160) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.000 22.489 5.332) 23.112 0.845 ( 0.000 12.966 12.865) 18.266 0.920 ( 0.000 34.736 -2.479) 34.824 1.116 ( 0.000 -1.612 16.623) 16.701 1.328 ( 0.000 0.964 -5.288) 5.375 1.495 ( 0.000 9.252 -4.560) 10.315 1.529 ( 0.000 16.482 11.975) 20.373 1.953 ( 0.000 3.622 -2.975) 4.687 2.592 ( 0.000 2.535 7.660) 8.069 2.947 ( 0.000 1.691 -5.454) 5.710 2.991 ( 0.000 1.385 -4.453) 4.663 3.052 ( 0.000 -1.496 -4.222) 4.480 3.194 ( 0.000 53.405 -2.226) 53.452 3.280 ( 0.000 46.331 -5.839) 46.698 4.005 ( 0.000 7.307 3.837) 8.253 4.275 ( 0.000 7.748 -10.995) 13.450 5.083 ( 0.000 0.752 7.716) 7.753 5.311 ( 0.000 -0.901 -3.662) 3.771 6.068 ( 0.000 -10.423 10.525) 14.813 6.287 ( 0.000 -23.019 3.798) 23.330 9.404 ( 0.000 24.872 1.063) 24.895 9.443 ( 0.000 22.816 -0.668) 22.825 9.582 ( 0.000 3.784 4.611) 5.965 9.775 ( 0.000 3.161 -4.656) 5.627 11.479 ( 0.000 -3.142 7.290) 7.939 11.799 ( 0.000 -4.003 -8.276) 9.193 13.584 ( 0.000 -20.376 5.618) 21.136 13.597 ( 0.000 -8.253 2.223) 8.547 15.119 ( 0.000 -22.477 1.966) 22.562 15.187 ( 0.000 -23.648 -1.668) 23.706 15.555 ( 0.000 -16.220 7.660) 17.938 15.692 ( 0.000 -13.306 -0.729) 13.326 17.586 ( 0.000 31.253 5.017) 31.653 18.080 ( 0.000 55.129 -27.592) 61.648 20.207 ( 0.000 -0.854 0.028) 0.854 20.208 ( 0.000 -0.696 -0.031) 0.696 ======================= Grid point 280 (87/160) ======================= q-point: ( 0.12 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 4.146 6.811 11.259) 13.797 0.841 ( 2.807 25.759 2.118) 25.998 0.961 ( 4.098 29.907 0.715) 30.195 1.331 ( 10.950 5.216 7.802) 14.422 1.354 ( 4.727 2.013 -10.330) 11.537 1.503 ( 0.862 10.811 -1.679) 10.974 1.609 ( 10.194 10.058 15.854) 21.364 1.965 ( 1.907 3.179 1.907) 4.169 2.597 ( 0.383 1.284 9.273) 9.369 2.898 ( -4.125 1.611 -6.387) 7.772 3.017 ( -0.874 6.383 -2.703) 6.986 3.092 ( 5.238 3.464 -6.093) 8.750 3.220 ( 2.380 45.238 -2.489) 45.369 3.296 ( 1.020 46.698 -5.416) 47.022 4.037 ( 3.492 6.801 4.461) 8.851 4.325 ( 5.223 6.766 -10.771) 13.751 4.857 ( -19.193 2.438 11.890) 22.709 5.191 ( -10.860 0.142 -6.513) 12.665 6.017 ( -5.728 -10.243 10.570) 15.794 6.244 ( -5.429 -20.671 1.800) 21.448 9.419 ( 1.199 23.348 0.223) 23.380 9.448 ( 0.601 23.655 -0.963) 23.682 9.610 ( 2.368 5.301 4.646) 7.436 9.800 ( 1.842 3.753 -4.309) 6.004 11.495 ( 2.172 -3.655 6.920) 8.121 11.788 ( -0.853 -4.172 -7.188) 8.354 13.419 ( -7.210 -9.584 9.409) 15.243 13.704 ( 1.907 -14.116 -6.300) 15.575 15.113 ( -0.300 -23.796 1.233) 23.830 15.158 ( -2.151 -23.437 -1.041) 23.559 15.633 ( 10.981 -14.407 11.160) 21.277 15.962 ( 19.760 -22.410 -6.086) 30.491 17.579 ( -0.709 30.732 4.440) 31.060 18.009 ( -6.786 49.947 -22.719) 55.290 20.213 ( 0.699 -0.197 0.155) 0.743 20.227 ( 1.619 0.935 -0.852) 2.054 ======================= Grid point 281 (88/160) ======================= q-point: ( 0.25 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 5.594 20.391 1.108) 21.173 0.965 ( 8.438 14.042 1.143) 16.422 1.085 ( 9.384 13.907 7.699) 18.459 1.395 ( 1.761 10.972 -0.893) 11.148 1.464 ( 0.820 11.748 -2.040) 11.952 1.573 ( 7.631 7.694 -6.314) 12.541 1.884 ( 12.482 0.763 16.103) 20.388 2.075 ( 11.791 1.630 6.312) 13.473 2.616 ( 2.336 -0.415 7.644) 8.004 2.816 ( -4.393 -0.324 -6.472) 7.828 2.932 ( -7.709 5.522 0.813) 9.517 3.165 ( 0.968 36.332 -4.778) 36.657 3.265 ( -0.170 33.062 -4.254) 33.335 3.312 ( 1.868 35.572 -5.626) 36.063 4.147 ( 7.953 5.184 7.033) 11.814 4.443 ( 2.279 5.062 -7.094) 9.008 4.521 ( -10.088 2.999 12.135) 16.064 4.991 ( -6.618 1.241 -12.856) 14.513 5.829 ( -13.868 -10.143 9.916) 19.837 6.070 ( -12.240 -15.407 -0.865) 19.696 9.441 ( 1.099 22.769 0.045) 22.796 9.467 ( 1.190 25.989 -1.392) 26.054 9.653 ( 1.902 5.073 4.380) 6.967 9.817 ( -0.445 4.505 -3.136) 5.508 11.570 ( 5.415 -4.931 5.643) 9.245 11.780 ( 0.187 -4.881 -4.069) 6.357 13.333 ( -1.862 -6.404 6.111) 9.046 13.672 ( -4.562 -10.580 -10.915) 15.871 15.112 ( 0.222 -24.896 0.569) 24.903 15.130 ( -0.712 -24.420 -0.103) 24.431 15.917 ( 16.741 -17.008 11.306) 26.408 16.298 ( 13.663 -27.468 -7.691) 31.628 17.564 ( -0.744 29.667 2.908) 29.818 17.851 ( -8.818 40.669 -13.911) 43.877 20.231 ( 1.099 1.470 0.272) 1.855 20.257 ( 1.221 3.491 -1.326) 3.929 ======================= Grid point 282 (89/160) ======================= q-point: ( 0.38 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 5.451 16.615 0.500) 17.494 1.081 ( 3.850 18.636 -1.692) 19.105 1.275 ( 7.670 3.759 7.400) 11.301 1.406 ( -1.271 10.948 -1.134) 11.080 1.483 ( 4.003 14.254 5.600) 15.829 1.681 ( 1.009 5.078 0.078) 5.178 2.088 ( 12.347 -0.055 12.609) 17.648 2.351 ( 12.718 0.676 0.781) 12.760 2.664 ( -4.664 -1.010 2.943) 5.607 2.734 ( -10.054 -0.007 3.230) 10.560 2.773 ( 5.762 -0.767 -7.934) 9.836 3.153 ( -2.286 41.507 -5.655) 41.953 3.231 ( -2.286 43.109 -3.048) 43.277 3.298 ( -3.903 34.877 -6.662) 35.721 4.275 ( 1.547 1.657 7.434) 7.772 4.314 ( -4.337 1.620 4.444) 6.418 4.599 ( 11.251 4.009 4.438) 12.742 5.017 ( 6.036 0.760 -10.784) 12.381 5.524 ( -14.898 -8.803 6.292) 18.413 5.796 ( -15.729 -10.781 -4.667) 19.632 9.462 ( 1.111 24.603 0.253) 24.630 9.484 ( 0.438 28.482 -0.880) 28.499 9.688 ( 1.995 2.320 2.711) 4.088 9.787 ( -2.416 3.734 -1.718) 4.768 11.680 ( 5.432 -5.919 4.477) 9.197 11.786 ( -0.037 -5.889 -0.158) 5.891 13.341 ( 2.617 -5.521 -0.199) 6.113 13.556 ( -6.968 -7.757 -10.264) 14.631 15.118 ( 0.320 -25.217 0.342) 25.222 15.124 ( -0.051 -24.826 0.139) 24.827 16.223 ( 14.110 -20.844 7.519) 26.270 16.463 ( 3.327 -27.110 -4.206) 27.635 17.558 ( 0.465 29.243 0.748) 29.256 17.694 ( -7.059 34.015 -6.748) 35.389 20.252 ( 1.035 3.356 0.172) 3.517 20.271 ( 0.255 4.817 -0.882) 4.904 ======================= Grid point 283 (90/160) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -1.330 16.017 -0.517) 16.081 1.108 ( 1.330 16.017 -0.517) 16.081 1.361 ( -2.862 9.964 1.114) 10.426 1.361 ( 2.862 9.964 1.114) 10.426 1.611 ( -6.937 6.528 9.015) 13.115 1.611 ( 6.937 6.528 9.015) 13.115 2.362 ( -14.024 0.401 5.552) 15.088 2.362 ( 14.024 0.401 5.552) 15.088 2.594 ( -6.164 -1.796 0.292) 6.427 2.594 ( 6.164 -1.796 0.292) 6.427 2.998 ( -12.980 4.480 -12.264) 18.411 2.998 ( 12.980 4.480 -12.264) 18.411 3.230 ( -2.246 58.044 -0.637) 58.091 3.230 ( 2.246 58.044 -0.637) 58.091 4.271 ( -1.100 0.611 3.662) 3.872 4.271 ( 1.100 0.611 3.662) 3.872 4.912 ( -17.137 1.268 7.672) 18.818 4.912 ( 17.137 1.268 7.672) 18.818 5.504 ( -12.475 -8.145 -7.598) 16.724 5.504 ( 12.475 -8.145 -7.598) 16.724 9.481 ( -0.712 27.450 0.035) 27.459 9.481 ( 0.712 27.450 0.035) 27.459 9.734 ( -2.764 2.135 0.192) 3.498 9.734 ( 2.764 2.135 0.192) 3.498 11.762 ( -2.774 -6.312 2.867) 7.467 11.762 ( 2.774 -6.312 2.867) 7.467 13.426 ( -5.989 -6.072 -6.264) 10.582 13.426 ( 5.989 -6.072 -6.264) 10.582 15.123 ( -0.144 -25.053 0.230) 25.055 15.123 ( 0.144 -25.053 0.230) 25.055 16.428 ( -6.690 -24.558 1.557) 25.501 16.428 ( 6.690 -24.558 1.557) 25.501 17.593 ( -3.406 30.541 -2.145) 30.805 17.593 ( 3.406 30.541 -2.145) 30.805 20.268 ( -0.551 4.665 -0.249) 4.704 20.268 ( 0.551 4.665 -0.249) 4.704 ======================= Grid point 288 (91/160) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 11.517 8.020) 14.034 1.122 ( 0.000 1.888 13.728) 13.857 1.348 ( 0.000 22.679 2.812) 22.853 1.362 ( 0.000 4.751 0.588) 4.787 1.530 ( 0.000 24.129 -5.442) 24.735 1.699 ( 0.000 9.633 -7.075) 11.952 1.919 ( 0.000 20.415 5.598) 21.169 2.089 ( 0.000 10.187 0.800) 10.218 2.676 ( 0.000 5.613 6.412) 8.522 2.940 ( 0.000 -1.048 -5.798) 5.892 3.010 ( 0.000 -2.422 -2.721) 3.643 3.022 ( 0.000 1.618 -4.230) 4.529 3.879 ( 0.000 10.332 1.192) 10.400 4.030 ( 0.000 15.088 -7.386) 16.798 4.517 ( 0.000 30.291 9.350) 31.701 4.790 ( 0.000 37.517 -5.073) 37.858 5.196 ( 0.000 15.926 3.659) 16.341 5.368 ( 0.000 9.940 -3.862) 10.664 5.880 ( 0.000 -0.796 9.317) 9.351 6.028 ( 0.000 8.887 3.937) 9.720 9.704 ( 0.000 8.287 4.033) 9.216 9.878 ( 0.000 7.122 -4.330) 8.335 10.039 ( 0.000 33.911 1.431) 33.941 10.060 ( 0.000 37.299 -0.004) 37.299 11.391 ( 0.000 -5.170 6.610) 8.392 11.684 ( 0.000 -6.944 -7.599) 10.294 13.161 ( 0.000 -19.987 9.483) 22.122 13.368 ( 0.000 -13.708 -1.964) 13.848 14.666 ( 0.000 -25.968 0.046) 25.968 14.704 ( 0.000 -19.293 -2.478) 19.452 15.189 ( 0.000 -19.916 6.598) 20.981 15.336 ( 0.000 -20.815 -1.452) 20.866 18.262 ( 0.000 32.354 9.992) 33.862 18.982 ( 0.000 32.761 -30.230) 44.577 20.169 ( 0.000 -3.060 0.099) 3.061 20.175 ( 0.000 -2.840 -0.133) 2.843 ======================= Grid point 289 (92/160) ======================= q-point: ( 0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 2.391 9.583 10.330) 14.292 1.251 ( 3.184 11.015 -2.457) 11.726 1.404 ( 8.996 9.153 10.483) 16.571 1.476 ( 9.342 13.052 -1.084) 16.088 1.557 ( 4.223 21.325 -3.835) 22.075 1.718 ( 1.952 9.230 -3.891) 10.205 1.922 ( 0.744 18.815 6.962) 20.075 2.096 ( 0.842 10.034 1.680) 10.208 2.646 ( -2.401 3.515 7.065) 8.249 2.880 ( -4.943 -1.671 -6.010) 7.958 3.033 ( -1.193 -0.390 -2.398) 2.707 3.081 ( 6.562 -1.007 -5.981) 8.936 3.910 ( 3.208 9.965 1.853) 10.631 4.076 ( 4.305 14.921 -6.995) 17.032 4.522 ( 1.073 24.403 9.929) 26.367 4.792 ( 0.137 36.729 -3.639) 36.909 5.113 ( -7.339 32.149 2.735) 33.090 5.290 ( -7.405 15.159 -4.850) 17.555 5.808 ( -7.178 -3.545 9.146) 12.155 5.978 ( -5.196 4.278 2.091) 7.048 9.700 ( 0.075 8.160 3.704) 8.962 9.846 ( -2.163 9.555 -3.195) 10.305 10.076 ( 3.486 32.780 1.353) 32.992 10.146 ( 6.084 35.851 -1.878) 36.412 11.396 ( 0.943 -5.620 6.427) 8.590 11.670 ( -1.232 -6.989 -6.808) 9.834 13.146 ( -0.987 -16.342 8.573) 18.480 13.388 ( 1.268 -16.075 -4.062) 16.628 14.627 ( -2.639 -25.272 0.183) 25.410 14.669 ( -3.479 -21.548 -2.580) 21.979 15.265 ( 8.338 -20.792 8.327) 23.899 15.480 ( 11.687 -25.402 -2.998) 28.122 18.247 ( -1.483 32.100 8.807) 33.319 18.856 ( -11.650 32.201 -24.022) 41.829 20.191 ( 2.207 -2.258 0.339) 3.175 20.227 ( 4.423 -1.519 -2.034) 5.100 ======================= Grid point 290 (93/160) ======================= q-point: ( 0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 10.179 6.984 8.873) 15.203 1.311 ( 4.198 15.394 -2.734) 16.189 1.498 ( 2.014 17.840 0.593) 17.963 1.604 ( 3.240 12.252 -4.703) 13.518 1.749 ( 8.365 14.210 1.062) 16.523 1.788 ( 6.481 10.139 0.879) 12.066 1.973 ( 4.610 10.489 11.396) 16.160 2.156 ( 7.728 6.797 2.834) 10.675 2.613 ( -0.209 0.490 5.494) 5.520 2.778 ( -5.415 -2.259 -5.877) 8.304 2.940 ( -8.592 -0.978 1.647) 8.803 3.192 ( 3.383 -2.806 -11.230) 12.060 4.000 ( 5.987 9.017 3.431) 11.354 4.171 ( 5.187 13.204 -4.068) 14.758 4.575 ( 4.184 11.494 9.302) 15.367 4.788 ( -0.752 38.804 0.528) 38.815 4.969 ( -7.164 57.475 0.416) 57.921 5.141 ( -5.586 24.997 -8.202) 26.894 5.619 ( -12.025 -6.268 8.112) 15.802 5.832 ( -9.781 -1.223 -1.386) 9.954 9.717 ( 1.596 6.863 2.863) 7.605 9.816 ( -0.930 8.805 -1.933) 9.062 10.140 ( 2.638 33.743 1.259) 33.870 10.230 ( 2.043 37.420 -2.880) 37.587 11.440 ( 3.660 -7.227 5.177) 9.614 11.647 ( -1.023 -7.645 -4.639) 9.000 13.140 ( 0.653 -12.387 5.416) 13.535 13.388 ( -1.507 -16.340 -6.860) 17.785 14.588 ( -1.301 -26.648 -0.012) 26.679 14.604 ( -2.580 -23.975 -1.165) 24.142 15.470 ( 11.730 -25.317 8.206) 29.084 15.697 ( 9.632 -31.257 -3.369) 32.881 18.215 ( -1.477 31.644 5.890) 32.222 18.604 ( -13.158 31.695 -14.114) 37.107 20.246 ( 3.258 -0.567 0.609) 3.362 20.308 ( 3.446 0.589 -3.036) 4.631 ======================= Grid point 291 (94/160) ======================= q-point: ( 0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 10.407 5.207 7.841) 14.032 1.404 ( 4.893 15.157 -0.782) 15.947 1.514 ( -0.332 19.037 -0.855) 19.059 1.603 ( -2.886 9.945 -1.177) 10.422 1.827 ( 2.364 18.283 2.625) 18.622 1.894 ( 1.176 14.834 0.105) 14.881 2.108 ( 11.684 2.348 12.999) 17.636 2.372 ( 10.280 1.303 0.374) 10.369 2.625 ( -3.480 -2.214 1.396) 4.354 2.701 ( -7.426 -2.664 4.474) 9.070 2.752 ( 0.766 -0.366 -6.854) 6.906 3.168 ( -6.190 -3.621 -14.377) 16.066 4.132 ( 7.421 6.850 5.293) 11.402 4.260 ( 3.277 4.418 1.315) 5.656 4.626 ( 0.167 28.544 4.634) 28.918 4.771 ( -4.522 33.431 -0.582) 33.741 4.868 ( 2.784 64.836 4.073) 65.024 5.140 ( 3.289 23.992 -6.838) 25.163 5.378 ( -10.975 -2.877 4.414) 12.174 5.618 ( -12.002 -1.670 -4.932) 13.083 9.755 ( 2.122 5.285 1.903) 6.005 9.805 ( -0.464 6.500 -0.576) 6.542 10.175 ( 1.240 36.540 0.475) 36.564 10.230 ( -1.363 39.040 -2.035) 39.117 11.523 ( 4.379 -8.798 3.159) 10.323 11.629 ( -1.145 -8.855 -1.756) 9.100 13.174 ( 2.846 -10.855 0.734) 11.246 13.332 ( -4.114 -13.855 -6.854) 15.996 14.572 ( -0.532 -27.296 0.019) 27.301 14.576 ( -0.620 -26.651 -0.126) 26.658 15.679 ( 9.405 -30.433 5.780) 32.374 15.822 ( 3.034 -34.294 -1.365) 34.455 18.203 ( 0.591 31.445 2.298) 31.534 18.383 ( -9.392 31.570 -6.726) 33.617 20.307 ( 2.831 1.130 0.312) 3.064 20.351 ( 0.997 1.901 -2.076) 2.986 ======================= Grid point 292 (95/160) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -2.744 8.769 3.774) 9.933 1.463 ( 2.744 8.769 3.774) 9.933 1.515 ( -4.529 15.053 -0.013) 15.720 1.515 ( 4.529 15.053 -0.013) 15.720 1.871 ( -2.228 16.955 3.184) 17.395 1.871 ( 2.228 16.955 3.184) 17.395 2.377 ( -13.815 0.889 7.175) 15.592 2.377 ( 13.815 0.889 7.175) 15.592 2.549 ( -4.853 -2.267 1.111) 5.470 2.549 ( 4.853 -2.267 1.111) 5.470 2.970 ( -13.315 -2.648 -12.995) 18.793 2.970 ( 13.315 -2.648 -12.995) 18.793 4.255 ( -4.182 0.253 5.864) 7.207 4.255 ( 4.182 0.253 5.864) 7.207 4.656 ( -4.423 53.206 -0.785) 53.396 4.656 ( 4.423 53.206 -0.785) 53.396 5.041 ( -11.369 24.600 6.052) 27.768 5.041 ( 11.369 24.600 6.052) 27.768 5.395 ( -10.146 2.321 -7.340) 12.736 5.395 ( 10.146 2.321 -7.340) 12.736 9.789 ( -1.319 4.847 0.784) 5.084 9.789 ( 1.319 4.847 0.784) 5.084 10.199 ( -1.519 38.880 -0.777) 38.917 10.199 ( 1.519 38.880 -0.777) 38.917 11.593 ( -2.762 -9.431 0.938) 9.872 11.593 ( 2.762 -9.431 0.938) 9.872 13.246 ( -4.425 -11.521 -3.897) 12.943 13.246 ( 4.425 -11.521 -3.897) 12.943 14.569 ( -0.160 -27.561 0.121) 27.561 14.569 ( 0.160 -27.561 0.121) 27.561 15.812 ( -3.973 -33.871 2.128) 34.170 15.812 ( 3.973 -33.871 2.128) 34.170 18.250 ( -4.523 31.510 -1.670) 31.877 18.250 ( 4.523 31.510 -1.670) 31.877 20.347 ( -1.258 2.074 -0.689) 2.522 20.347 ( 1.258 2.074 -0.689) 2.522 ======================= Grid point 297 (96/160) ======================= q-point: ( 0.00 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 4.028 7.739) 8.725 1.240 ( 0.000 9.932 0.627) 9.952 1.467 ( 0.000 5.560 6.480) 8.538 1.712 ( 0.000 11.479 -0.515) 11.491 1.911 ( 0.000 12.765 -3.641) 13.275 1.974 ( 0.000 19.040 -5.868) 19.924 2.324 ( 0.000 18.902 1.564) 18.967 2.352 ( 0.000 14.577 1.736) 14.680 2.790 ( 0.000 4.262 2.196) 4.794 2.918 ( 0.000 -0.733 -4.993) 5.047 2.976 ( 0.000 0.149 0.770) 0.785 3.051 ( 0.000 1.084 -2.386) 2.621 4.018 ( 0.000 5.212 2.147) 5.637 4.185 ( 0.000 4.009 -6.927) 8.003 4.653 ( 0.000 -6.530 18.997) 20.088 5.081 ( 0.000 -2.026 -3.543) 4.081 5.490 ( 0.000 12.554 3.589) 13.057 5.628 ( 0.000 15.252 -2.910) 15.527 6.624 ( 0.000 61.928 5.377) 62.161 6.871 ( 0.000 60.244 -6.389) 60.581 9.921 ( 0.000 12.625 3.152) 13.013 10.067 ( 0.000 11.197 -3.876) 11.849 10.757 ( 0.000 34.990 3.324) 35.148 10.840 ( 0.000 37.427 -1.222) 37.447 11.292 ( 0.000 -3.411 5.597) 6.555 11.540 ( 0.000 -6.085 -6.432) 8.854 12.764 ( 0.000 -19.435 8.523) 21.221 13.055 ( 0.000 -16.687 -5.739) 17.646 14.147 ( 0.000 -25.032 3.047) 25.216 14.285 ( 0.000 -22.577 -4.307) 22.984 14.780 ( 0.000 -18.972 4.340) 19.462 14.886 ( 0.000 -22.245 -1.306) 22.284 18.845 ( 0.000 24.143 10.720) 26.416 19.463 ( 0.000 15.891 -20.962) 26.304 20.075 ( 0.000 -6.308 0.197) 6.311 20.085 ( 0.000 -6.052 -0.266) 6.058 ======================= Grid point 298 (97/160) ======================= q-point: ( 0.12 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 1.975 8.152 7.721) 11.400 1.389 ( 8.897 5.402 -4.807) 11.465 1.538 ( 7.957 5.448 9.273) 13.378 1.769 ( 6.219 10.037 1.435) 11.894 1.911 ( -0.029 13.296 -3.003) 13.631 1.991 ( 1.733 18.302 -5.326) 19.140 2.311 ( -1.084 18.511 2.492) 18.710 2.353 ( -0.150 14.029 1.271) 14.087 2.729 ( -4.806 4.245 3.002) 7.081 2.847 ( -4.989 -1.056 -3.943) 6.446 3.024 ( -2.452 -0.293 -0.946) 2.645 3.067 ( 4.858 -0.172 -3.769) 6.151 4.032 ( 1.472 4.130 2.540) 5.067 4.197 ( 1.035 1.522 -5.351) 5.659 4.658 ( 1.092 -1.903 16.418) 16.564 5.076 ( -0.672 -1.462 -4.309) 4.600 5.510 ( 1.831 12.353 3.620) 13.002 5.622 ( -0.787 13.566 -1.798) 13.707 6.574 ( -4.770 64.629 4.743) 64.978 6.801 ( -6.672 62.205 -6.078) 62.856 9.908 ( -0.963 12.104 3.055) 12.521 10.042 ( -2.263 10.911 -3.371) 11.642 10.789 ( 3.158 34.755 3.453) 35.068 10.910 ( 5.899 36.708 -2.672) 37.275 11.292 ( 0.188 -3.455 5.394) 6.408 11.529 ( -1.113 -5.729 -6.104) 8.445 12.783 ( 1.956 -18.898 7.640) 20.478 13.049 ( -0.574 -17.306 -5.395) 18.136 14.115 ( -2.760 -24.649 2.533) 24.932 14.235 ( -4.550 -22.126 -3.764) 22.900 14.831 ( 4.944 -20.570 4.643) 21.659 14.952 ( 5.742 -25.311 -1.659) 26.007 18.827 ( -1.663 24.171 9.465) 26.012 19.346 ( -10.453 16.888 -16.246) 25.659 20.111 ( 3.320 -5.729 0.325) 6.630 20.154 ( 5.916 -5.708 -2.456) 8.580 ======================= Grid point 299 (98/160) ======================= q-point: ( 0.25 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 7.474 7.439 8.078) 13.283 1.519 ( 5.029 5.974 -6.377) 10.082 1.729 ( 9.461 6.049 7.052) 13.260 1.908 ( -0.260 14.043 -1.769) 14.156 1.947 ( 10.680 7.559 3.149) 13.458 2.055 ( 6.006 15.634 -3.092) 17.031 2.291 ( -0.967 17.531 3.522) 17.908 2.351 ( 0.610 11.537 1.155) 11.611 2.649 ( -2.909 3.458 2.535) 5.181 2.744 ( -5.533 -0.584 -4.124) 6.925 2.914 ( -8.609 -1.452 2.136) 8.988 3.134 ( 1.063 -2.624 -9.243) 9.667 4.077 ( 3.214 1.710 3.567) 5.097 4.220 ( 1.252 -1.893 -1.055) 2.503 4.711 ( 4.486 3.517 9.759) 11.302 5.051 ( -1.835 0.692 -4.491) 4.900 5.535 ( -0.096 11.691 2.671) 11.992 5.589 ( -2.630 11.563 -0.021) 11.859 6.476 ( -4.403 70.291 3.263) 70.505 6.651 ( -7.907 66.665 -5.138) 67.328 9.896 ( -0.154 10.671 2.545) 10.971 9.995 ( -2.383 9.923 -2.221) 10.444 10.859 ( 3.722 34.269 3.267) 34.625 11.006 ( 2.942 36.068 -3.589) 36.365 11.313 ( 2.300 -3.667 3.618) 5.641 11.502 ( -1.598 -5.201 -5.211) 7.534 12.835 ( 3.276 -17.267 5.341) 18.369 13.035 ( -0.956 -18.046 -4.481) 18.618 14.062 ( -2.439 -24.914 1.571) 25.082 14.140 ( -4.763 -22.292 -2.486) 22.931 14.946 ( 6.378 -24.756 4.407) 25.941 15.063 ( 5.085 -29.746 -1.573) 30.218 18.792 ( -1.592 24.276 6.514) 25.185 19.126 ( -11.307 19.723 -9.727) 24.728 20.191 ( 4.658 -4.998 0.611) 6.859 20.262 ( 4.744 -5.116 -3.441) 7.779 ======================= Grid point 300 (99/160) ======================= q-point: ( 0.38 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 8.056 5.153 7.378) 12.078 1.579 ( 0.862 4.354 -1.707) 4.755 1.857 ( 3.648 12.625 0.464) 13.150 1.901 ( -0.452 16.146 -1.275) 16.203 2.135 ( 10.451 5.958 5.015) 13.033 2.189 ( 4.571 15.966 0.451) 16.614 2.274 ( -0.553 15.856 4.612) 16.522 2.412 ( 5.258 3.507 0.591) 6.348 2.601 ( -4.363 0.909 1.724) 4.779 2.650 ( -6.901 -1.808 2.896) 7.699 2.755 ( -0.882 0.567 -4.807) 4.920 3.087 ( -6.140 -4.133 -12.564) 14.582 4.149 ( 4.031 -0.947 4.716) 6.276 4.237 ( 0.201 -3.059 2.928) 4.239 4.817 ( 6.147 3.531 3.914) 8.098 5.008 ( -2.849 0.914 -2.540) 3.925 5.493 ( -3.006 15.299 0.528) 15.601 5.534 ( -3.270 12.271 -0.525) 12.710 6.429 ( -0.350 73.076 1.675) 73.096 6.524 ( -5.061 70.484 -3.032) 70.731 9.903 ( 0.845 9.194 1.653) 9.380 9.955 ( -1.796 8.838 -0.847) 9.058 10.923 ( 2.928 34.178 2.230) 34.375 11.016 ( -1.373 34.672 -1.565) 34.734 11.373 ( 3.406 -3.267 0.043) 4.720 11.470 ( -1.795 -4.862 -3.926) 6.502 12.903 ( 3.576 -15.600 2.345) 16.176 13.010 ( -1.725 -17.207 -2.968) 17.546 14.029 ( -0.928 -25.642 0.732) 25.669 14.064 ( -2.955 -23.870 -1.086) 24.077 15.058 ( 4.932 -29.044 3.165) 29.629 15.130 ( 1.671 -32.152 -0.476) 32.199 18.779 ( 0.479 24.284 3.065) 24.481 18.936 ( -8.119 22.309 -4.572) 24.177 20.275 ( 3.806 -4.399 0.193) 5.820 20.325 ( 1.705 -4.541 -2.443) 5.431 ======================= Grid point 301 (100/160) ======================= q-point: (-0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -4.702 3.423 4.259) 7.209 1.542 ( 4.702 3.423 4.259) 7.209 1.891 ( -0.700 16.467 -1.837) 16.584 1.891 ( 0.700 16.467 -1.837) 16.584 2.233 ( -0.876 17.570 1.129) 17.628 2.233 ( 0.876 17.570 1.129) 17.628 2.393 ( -12.131 0.737 7.973) 14.535 2.393 ( 12.131 0.737 7.973) 14.535 2.523 ( -3.747 0.554 1.742) 4.169 2.523 ( 3.747 0.554 1.742) 4.169 2.912 ( -11.137 -2.870 -11.925) 16.567 2.912 ( 11.137 -2.870 -11.925) 16.567 4.216 ( -2.495 -2.762 4.860) 6.122 4.216 ( 2.495 -2.762 4.860) 6.122 4.931 ( -5.247 1.157 0.545) 5.400 4.931 ( 5.247 1.157 0.545) 5.400 5.476 ( -1.690 16.285 -1.359) 16.428 5.476 ( 1.690 16.285 -1.359) 16.428 6.453 ( -2.523 72.369 -0.354) 72.414 6.453 ( 2.523 72.369 -0.354) 72.414 9.925 ( -1.375 8.484 0.499) 8.609 9.925 ( 1.375 8.484 0.499) 8.609 10.975 ( -2.539 34.267 0.515) 34.365 10.975 ( 2.539 34.267 0.515) 34.365 11.430 ( -2.465 -4.114 -2.338) 5.336 11.430 ( 2.465 -4.114 -2.338) 5.336 12.966 ( -2.876 -15.639 -0.629) 15.914 12.966 ( 2.876 -15.639 -0.629) 15.914 14.028 ( -0.879 -25.426 -0.034) 25.441 14.028 ( 0.879 -25.426 -0.034) 25.441 15.126 ( -2.013 -31.815 1.316) 31.906 15.126 ( 2.013 -31.815 1.316) 31.906 18.820 ( -4.005 23.777 -0.512) 24.117 18.820 ( 4.005 23.777 -0.512) 24.117 20.327 ( -1.409 -4.229 -0.963) 4.561 20.327 ( 1.409 -4.229 -0.963) 4.561 ======================= Grid point 306 (101/160) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 5.382 3.265) 6.294 1.398 ( 0.000 5.678 -3.448) 6.643 1.579 ( 0.000 5.447 8.478) 10.077 1.861 ( 0.000 5.092 -2.911) 5.866 2.160 ( 0.000 9.046 -1.824) 9.228 2.275 ( 0.000 9.387 -7.276) 11.877 2.634 ( 0.000 12.037 1.299) 12.106 2.673 ( 0.000 14.706 0.214) 14.708 2.841 ( 0.000 2.970 0.755) 3.064 2.940 ( 0.000 3.843 -2.625) 4.654 3.036 ( 0.000 4.607 1.872) 4.973 3.068 ( 0.000 0.789 -0.372) 0.872 4.086 ( 0.000 0.917 2.534) 2.695 4.226 ( 0.000 0.092 -4.864) 4.865 4.517 ( 0.000 -4.480 16.221) 16.829 4.914 ( 0.000 -10.007 -4.137) 10.829 5.960 ( 0.000 31.376 2.672) 31.489 6.065 ( 0.000 27.806 -2.327) 27.904 7.830 ( 0.000 51.961 4.335) 52.141 8.054 ( 0.000 51.276 -6.647) 51.705 10.163 ( 0.000 8.799 2.303) 9.095 10.284 ( 0.000 7.661 -3.496) 8.422 11.333 ( 0.000 13.183 3.560) 13.655 11.427 ( 0.000 27.626 4.925) 28.062 11.481 ( 0.000 16.436 -3.465) 16.798 11.564 ( 0.000 19.418 -2.492) 19.577 12.354 ( 0.000 -21.023 7.907) 22.461 12.693 ( 0.000 -18.785 -8.466) 20.604 13.643 ( 0.000 -24.404 4.414) 24.800 13.784 ( 0.000 -25.830 -2.972) 26.000 14.447 ( 0.000 -13.770 1.083) 13.813 14.476 ( 0.000 -17.167 -0.400) 17.172 19.237 ( 0.000 14.419 8.844) 16.915 19.674 ( 0.000 5.581 -12.726) 13.896 19.917 ( 0.000 -8.804 0.288) 8.809 19.932 ( 0.000 -8.666 -0.445) 8.678 ======================= Grid point 307 (102/160) ======================= q-point: ( 0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 3.310 6.631 4.156) 8.497 1.484 ( 6.913 3.698 -5.339) 9.485 1.638 ( 6.358 4.598 8.809) 11.797 1.900 ( 4.153 4.573 -1.716) 6.411 2.164 ( 0.285 8.751 -1.800) 8.939 2.283 ( 0.778 8.976 -7.184) 11.523 2.615 ( -1.875 11.338 1.749) 11.624 2.658 ( -1.356 14.583 0.534) 14.655 2.811 ( -2.576 4.565 0.899) 5.318 2.889 ( -3.789 6.331 -1.256) 7.484 3.021 ( -4.702 0.010 0.720) 4.756 3.081 ( 2.288 1.540 -2.134) 3.487 4.081 ( -0.185 0.411 2.776) 2.812 4.202 ( -1.621 -0.174 -2.217) 2.752 4.587 ( 6.111 -3.511 12.704) 14.528 4.935 ( 1.770 -9.037 -3.525) 9.860 5.963 ( 0.230 30.550 2.162) 30.627 6.048 ( -1.617 27.962 -1.966) 28.078 7.807 ( -2.199 52.395 3.958) 52.590 8.008 ( -4.409 51.662 -5.942) 52.190 10.143 ( -1.775 8.766 2.249) 9.223 10.254 ( -2.826 7.649 -3.044) 8.704 11.340 ( 0.664 12.971 3.502) 13.452 11.434 ( 0.356 25.035 4.163) 25.381 11.505 ( 2.055 13.303 -3.745) 13.972 11.598 ( 3.518 23.827 -3.056) 24.278 12.381 ( 2.795 -20.458 7.367) 21.923 12.680 ( -1.125 -18.807 -7.144) 20.150 13.620 ( -2.137 -23.902 4.028) 24.333 13.754 ( -2.998 -24.726 -2.845) 25.069 14.465 ( 1.717 -15.105 1.133) 15.244 14.495 ( 1.814 -18.670 -0.422) 18.762 19.221 ( -1.433 14.593 7.809) 16.613 19.577 ( -7.861 6.437 -8.920) 13.520 19.962 ( 3.557 -8.567 0.112) 9.277 20.002 ( 5.938 -8.806 -2.577) 10.929 ======================= Grid point 308 (103/160) ======================= q-point: ( 0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 6.241 6.923 4.981) 10.568 1.601 ( 4.665 2.784 -5.274) 7.572 1.809 ( 10.255 2.735 7.492) 12.991 2.026 ( 8.576 2.828 -0.340) 9.037 2.169 ( 0.320 7.435 -1.339) 7.562 2.311 ( 2.570 7.667 -6.871) 10.612 2.576 ( -1.710 10.888 2.776) 11.365 2.630 ( -1.432 14.257 0.979) 14.362 2.760 ( -2.743 6.685 0.250) 7.230 2.809 ( -4.462 8.633 -0.993) 9.768 2.887 ( -8.594 -0.935 2.930) 9.128 3.090 ( -1.733 -1.566 -6.966) 7.347 4.092 ( 1.408 -0.128 3.305) 3.595 4.186 ( -0.060 -0.472 0.408) 0.627 4.712 ( 6.318 -2.540 8.139) 10.612 4.963 ( 0.760 -6.998 -2.308) 7.408 5.966 ( -0.030 29.180 0.991) 29.197 6.009 ( -2.290 28.552 -1.185) 28.669 7.761 ( -2.135 52.963 3.006) 53.091 7.906 ( -5.651 52.153 -4.125) 52.620 10.109 ( -1.466 8.449 1.896) 8.782 10.192 ( -3.315 7.492 -2.009) 8.435 11.354 ( 0.707 13.044 3.140) 13.435 11.429 ( -0.837 18.311 2.275) 18.470 11.552 ( 2.692 15.854 -2.864) 16.333 11.670 ( 2.934 24.480 -5.565) 25.275 12.459 ( 5.108 -18.728 6.064) 20.337 12.660 ( -0.712 -18.378 -3.626) 18.746 13.571 ( -2.668 -23.245 2.956) 23.584 13.679 ( -4.483 -23.002 -2.433) 23.560 14.505 ( 2.233 -17.999 1.117) 18.171 14.534 ( 1.930 -21.305 -0.350) 21.395 19.192 ( -1.333 14.975 5.505) 16.011 19.421 ( -7.801 9.645 -5.312) 13.494 20.046 ( 4.814 -8.895 0.364) 10.120 20.109 ( 4.730 -9.505 -3.118) 11.065 ======================= Grid point 309 (104/160) ======================= q-point: ( 0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 6.029 5.850 4.291) 9.434 1.651 ( 0.452 3.192 -2.261) 3.938 2.000 ( 8.753 2.649 4.423) 10.158 2.132 ( 0.397 4.940 -3.164) 5.880 2.220 ( 6.298 2.295 3.212) 7.433 2.413 ( 8.256 5.372 -5.145) 11.113 2.557 ( -1.126 10.084 2.830) 10.534 2.603 ( -1.710 12.247 1.876) 12.507 2.646 ( -8.885 4.741 4.380) 10.982 2.719 ( -5.142 10.025 -0.124) 11.268 2.789 ( 0.625 3.672 -2.578) 4.530 3.011 ( -6.311 -2.836 -9.480) 11.736 4.131 ( 2.365 -0.570 3.676) 4.408 4.189 ( -0.069 -0.889 2.242) 2.413 4.820 ( 4.919 -2.517 4.018) 6.832 4.955 ( -1.692 -4.977 -1.013) 5.354 5.960 ( -0.465 28.980 -0.054) 28.984 5.970 ( -1.527 29.365 -0.630) 29.412 7.737 ( -0.242 52.720 1.755) 52.749 7.810 ( -4.074 52.111 -1.860) 52.303 10.093 ( -0.183 7.895 1.191) 7.987 10.136 ( -2.374 7.328 -0.836) 7.749 11.368 ( 0.806 13.411 2.531) 13.672 11.408 ( -1.216 15.040 1.711) 15.186 11.604 ( 2.671 17.680 -3.901) 18.301 11.691 ( -0.722 21.918 -6.978) 23.013 12.561 ( 5.006 -16.630 4.591) 17.964 12.654 ( -0.225 -16.825 0.288) 16.829 13.531 ( -1.200 -23.112 1.382) 23.185 13.594 ( -4.092 -22.439 -1.630) 22.867 14.544 ( 1.656 -20.774 0.861) 20.858 14.562 ( 0.847 -22.787 -0.048) 22.803 19.180 ( 0.273 15.098 2.927) 15.381 19.290 ( -5.641 12.618 -2.324) 14.016 20.132 ( 3.781 -9.314 -0.040) 10.052 20.174 ( 1.957 -9.815 -2.244) 10.256 ======================= Grid point 310 (105/160) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -3.507 4.348 1.713) 5.843 1.621 ( 3.507 4.348 1.713) 5.843 2.108 ( -2.747 4.151 -1.665) 5.248 2.108 ( 2.747 4.151 -1.665) 5.248 2.390 ( -11.128 0.316 6.550) 12.916 2.390 ( 11.128 0.316 6.550) 12.916 2.560 ( -4.298 10.137 -0.843) 11.043 2.560 ( 4.298 10.137 -0.843) 11.043 2.621 ( -4.093 11.097 1.434) 11.915 2.621 ( 4.093 11.097 1.434) 11.915 2.871 ( -7.077 -0.052 -7.836) 10.559 2.871 ( 7.077 -0.052 -7.836) 10.559 4.172 ( -1.681 -0.963 3.388) 3.903 4.172 ( 1.681 -0.963 3.388) 3.903 4.902 ( -3.598 -3.413 0.860) 5.034 4.902 ( 3.598 -3.413 0.860) 5.034 5.955 ( -0.095 29.531 -0.465) 29.535 5.955 ( 0.095 29.531 -0.465) 29.535 7.753 ( -1.897 52.154 0.184) 52.188 7.753 ( 1.897 52.154 0.184) 52.188 10.102 ( -1.130 7.446 0.258) 7.536 10.102 ( 1.130 7.446 0.258) 7.536 11.386 ( -1.040 13.914 1.957) 14.090 11.386 ( 1.040 13.914 1.957) 14.090 11.655 ( -2.559 19.301 -5.948) 20.358 11.655 ( 2.559 19.301 -5.948) 20.358 12.634 ( -2.327 -15.721 2.934) 16.161 12.634 ( 2.327 -15.721 2.934) 16.161 13.535 ( -1.739 -22.864 -0.315) 22.932 13.535 ( 1.739 -22.864 -0.315) 22.932 14.565 ( -0.509 -22.529 0.415) 22.538 14.565 ( 0.509 -22.529 0.415) 22.538 19.209 ( -2.827 14.433 0.355) 14.711 19.209 ( 2.827 14.433 0.355) 14.711 20.181 ( -1.189 -9.675 -1.031) 9.802 20.181 ( 1.189 -9.675 -1.031) 9.802 ======================= Grid point 315 (106/160) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 4.835 0.106) 4.836 1.481 ( 0.000 2.705 -4.234) 5.024 1.695 ( 0.000 6.058 7.539) 9.671 1.952 ( 0.000 4.155 -3.594) 5.494 2.233 ( 0.000 -1.537 -3.061) 3.425 2.341 ( 0.000 -1.838 -7.569) 7.789 2.838 ( 0.000 8.551 2.174) 8.823 2.886 ( 0.000 7.031 1.164) 7.126 2.981 ( 0.000 8.592 0.588) 8.612 3.047 ( 0.000 3.101 -1.475) 3.434 3.115 ( 0.000 5.943 1.522) 6.134 3.133 ( 0.000 5.013 0.175) 5.016 4.058 ( 0.000 -2.738 2.861) 3.960 4.190 ( 0.000 -3.443 -4.224) 5.449 4.492 ( 0.000 1.336 11.001) 11.082 4.744 ( 0.000 -6.305 -1.636) 6.514 6.695 ( 0.000 39.415 0.683) 39.421 6.733 ( 0.000 36.774 -1.147) 36.792 8.634 ( 0.000 24.622 3.882) 24.926 8.825 ( 0.000 21.165 -5.567) 21.885 10.268 ( 0.000 5.500 1.083) 5.606 10.335 ( 0.000 0.027 -2.227) 2.227 11.775 ( 0.000 19.860 4.284) 20.316 11.868 ( 0.000 18.977 -1.900) 19.072 11.915 ( 0.000 -16.545 5.698) 17.499 11.968 ( 0.000 28.043 3.625) 28.276 11.987 ( 0.000 17.823 -0.433) 17.828 12.329 ( 0.000 -11.616 -10.056) 15.364 13.165 ( 0.000 -21.915 3.902) 22.259 13.273 ( 0.000 -23.432 -1.809) 23.502 14.189 ( 0.000 -11.991 0.130) 11.992 14.194 ( 0.000 -12.123 -0.126) 12.124 19.443 ( 0.000 6.176 6.133) 8.704 19.716 ( 0.000 -1.419 -7.171) 7.310 19.738 ( 0.000 -8.069 0.298) 8.074 19.751 ( 0.000 -8.044 -0.332) 8.051 ======================= Grid point 316 (107/160) ======================= q-point: ( 0.12 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 4.257 5.272 0.556) 6.799 1.541 ( 5.378 1.972 -4.719) 7.421 1.734 ( 4.222 5.044 7.413) 9.911 1.981 ( 3.071 3.711 -3.051) 5.702 2.230 ( -0.372 -1.599 -2.873) 3.309 2.344 ( 0.336 -1.748 -7.553) 7.760 2.819 ( -1.619 8.991 2.698) 9.526 2.882 ( -0.405 8.087 0.522) 8.114 2.953 ( -2.673 6.587 0.931) 7.169 3.012 ( -3.999 2.311 -0.809) 4.690 3.080 ( -2.741 8.136 1.119) 8.658 3.131 ( -0.766 3.842 -1.106) 4.071 4.063 ( 0.729 -1.369 3.314) 3.659 4.192 ( 0.242 -1.326 -3.095) 3.376 4.541 ( 4.476 -0.939 9.615) 10.647 4.769 ( 2.273 -6.810 -1.424) 7.319 6.683 ( -1.116 38.777 0.634) 38.798 6.719 ( -1.398 36.713 -1.084) 36.756 8.606 ( -2.653 23.940 3.488) 24.338 8.775 ( -4.908 20.607 -4.828) 21.726 10.257 ( -0.925 6.239 0.960) 6.380 10.316 ( -1.751 1.114 -1.912) 2.822 11.766 ( -1.175 6.493 4.703) 8.103 11.856 ( 0.156 19.235 -0.010) 19.236 11.927 ( -0.451 28.640 -0.087) 28.643 11.951 ( 0.262 1.527 -0.464) 1.617 12.070 ( 6.516 8.799 4.332) 11.776 12.333 ( 0.604 -9.585 -7.735) 12.331 13.153 ( -1.192 -21.425 3.710) 21.776 13.259 ( -1.401 -22.848 -1.840) 22.964 14.191 ( 0.207 -12.321 0.133) 12.323 14.196 ( 0.210 -12.373 -0.123) 12.375 19.432 ( -0.980 6.474 5.369) 8.468 19.630 ( -4.900 -0.629 -3.332) 5.959 19.781 ( 2.893 -8.711 -0.039) 9.179 19.821 ( 4.584 -8.159 -2.959) 9.815 ======================= Grid point 317 (108/160) ======================= q-point: ( 0.25 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 6.311 5.981 1.003) 8.753 1.648 ( 5.000 1.982 -4.195) 6.821 1.856 ( 7.975 2.053 5.953) 10.162 2.068 ( 5.686 1.718 -2.184) 6.329 2.218 ( -0.713 -1.415 -1.677) 2.308 2.361 ( 1.889 -1.377 -7.560) 7.913 2.787 ( -1.890 8.694 2.818) 9.333 2.831 ( -7.204 3.318 0.529) 7.949 2.900 ( -0.846 5.733 1.464) 5.977 2.927 ( -3.491 7.040 -0.416) 7.869 3.021 ( -3.594 9.688 0.208) 10.335 3.094 ( -3.029 3.228 -3.017) 5.357 4.092 ( 2.307 0.812 3.782) 4.504 4.202 ( 0.724 1.594 -0.957) 1.995 4.639 ( 5.313 -4.134 7.041) 9.741 4.813 ( 1.874 -7.344 -0.829) 7.624 6.658 ( -1.400 37.328 0.455) 37.357 6.685 ( -2.005 36.484 -0.867) 36.549 8.544 ( -3.417 22.073 2.538) 22.480 8.658 ( -6.646 19.313 -3.061) 20.653 10.238 ( -0.909 7.470 0.652) 7.554 10.277 ( -2.038 3.490 -1.225) 4.223 11.741 ( -0.958 -4.943 2.811) 5.766 11.871 ( 0.837 27.888 -0.484) 27.905 11.904 ( -1.654 19.004 -2.066) 19.187 11.952 ( -0.599 14.094 -2.898) 14.401 12.212 ( 7.759 1.815 4.848) 9.328 12.363 ( 2.630 -5.492 -2.320) 6.517 13.123 ( -1.766 -20.318 2.972) 20.610 13.219 ( -2.805 -21.429 -1.805) 21.687 14.196 ( 0.322 -13.038 0.127) 13.042 14.201 ( 0.267 -12.974 -0.104) 12.978 19.413 ( -0.854 7.104 3.842) 8.122 19.540 ( -4.347 2.705 -2.090) 5.530 19.849 ( 3.924 -9.799 0.151) 10.557 19.900 ( 3.544 -10.246 -2.612) 11.152 ======================= Grid point 318 (109/160) ======================= q-point: ( 0.38 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 4.982 6.171 0.664) 7.958 1.717 ( 1.944 3.290 -2.678) 4.666 2.011 ( 7.294 -0.997 2.935) 7.925 2.142 ( 0.100 -2.184 -3.680) 4.281 2.244 ( 5.202 0.701 2.949) 6.020 2.441 ( 6.565 -1.388 -6.591) 9.406 2.632 ( -10.708 0.431 3.017) 11.133 2.757 ( -3.701 3.340 -1.103) 5.106 2.871 ( -1.381 9.905 0.112) 10.001 2.913 ( 1.004 8.011 -0.653) 8.100 2.947 ( -3.408 10.709 0.846) 11.270 3.026 ( -3.739 5.470 -2.615) 7.123 4.144 ( 2.785 2.255 3.552) 5.045 4.210 ( -0.145 2.874 1.049) 3.063 4.733 ( 4.279 -5.823 4.299) 8.408 4.829 ( -0.343 -7.113 0.192) 7.124 6.635 ( -0.782 36.110 0.163) 36.119 6.649 ( -1.516 36.075 -0.518) 36.111 8.490 ( -1.841 19.731 1.450) 19.870 8.543 ( -4.804 18.154 -1.158) 18.815 10.226 ( -0.316 7.938 0.294) 7.950 10.244 ( -1.327 5.791 -0.566) 5.968 11.740 ( 1.038 -7.386 -0.599) 7.483 11.846 ( -3.300 -2.405 -5.689) 7.002 11.896 ( 0.795 34.999 0.841) 35.018 11.933 ( -1.096 29.583 -1.439) 29.638 12.349 ( 6.051 -1.072 4.633) 7.696 12.418 ( 2.369 -3.338 1.833) 4.485 13.095 ( -0.796 -19.359 1.477) 19.432 13.157 ( -3.353 -19.948 -1.419) 20.277 14.202 ( 0.276 -13.650 0.091) 13.653 14.205 ( 0.138 -13.573 -0.052) 13.574 19.405 ( 0.141 7.442 2.249) 7.776 19.467 ( -3.169 5.370 -0.720) 6.277 19.919 ( 3.039 -10.909 -0.190) 11.326 19.951 ( 1.599 -11.368 -1.822) 11.624 ======================= Grid point 319 (110/160) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -1.868 5.096 -0.727) 5.476 1.718 ( 1.868 5.096 -0.727) 5.476 2.109 ( -3.059 -2.603 -1.650) 4.343 2.109 ( 3.059 -2.603 -1.650) 4.343 2.398 ( -9.984 0.755 4.980) 11.182 2.398 ( 9.984 0.755 4.980) 11.182 2.628 ( -8.621 -1.595 -5.975) 10.610 2.628 ( 8.621 -1.595 -5.975) 10.610 2.883 ( -2.129 11.727 1.277) 11.987 2.883 ( 2.129 11.727 1.277) 11.987 2.960 ( -2.857 7.758 -1.174) 8.350 2.960 ( 2.857 7.758 -1.174) 8.350 4.190 ( -1.879 2.923 2.596) 4.337 4.190 ( 1.879 2.923 2.596) 4.337 4.800 ( -2.618 -6.543 1.871) 7.291 4.800 ( 2.618 -6.543 1.871) 7.291 6.631 ( -0.359 35.770 -0.159) 35.772 6.631 ( 0.359 35.770 -0.159) 35.772 8.484 ( -1.314 18.153 0.318) 18.203 8.484 ( 1.314 18.153 0.318) 18.203 10.227 ( -0.453 7.345 -0.082) 7.359 10.227 ( 0.453 7.345 -0.082) 7.359 11.781 ( -3.061 -7.478 -4.064) 9.044 11.781 ( 3.061 -7.478 -4.064) 9.044 11.913 ( -0.969 34.835 0.017) 34.848 11.913 ( 0.969 34.835 0.017) 34.848 12.428 ( -1.807 -2.490 3.898) 4.966 12.428 ( 1.807 -2.490 3.898) 4.966 13.104 ( -1.800 -19.160 -0.314) 19.247 13.104 ( 1.800 -19.160 -0.314) 19.247 14.206 ( -0.089 -13.847 0.023) 13.847 14.206 ( 0.089 -13.847 0.023) 13.847 19.421 ( -1.621 6.956 0.731) 7.180 19.421 ( 1.621 6.956 0.731) 7.180 19.958 ( -0.882 -11.532 -0.929) 11.603 19.958 ( 0.882 -11.532 -0.929) 11.603 ======================= Grid point 324 (111/160) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 2.980 -1.344) 3.269 1.515 ( 0.000 0.666 -3.398) 3.463 1.831 ( 0.000 7.291 4.217) 8.422 2.038 ( 0.000 4.350 -5.031) 6.651 2.141 ( 0.000 -6.338 -1.375) 6.486 2.258 ( 0.000 -5.354 -6.303) 8.270 2.983 ( 0.000 5.170 3.017) 5.986 2.995 ( 0.000 3.524 2.330) 4.225 3.075 ( 0.000 1.105 -0.884) 1.415 3.094 ( 0.000 2.572 -1.287) 2.876 3.244 ( 0.000 5.002 0.415) 5.019 3.248 ( 0.000 5.167 0.980) 5.259 4.015 ( 0.000 -0.924 0.971) 1.340 4.104 ( 0.000 -4.429 -3.750) 5.803 4.538 ( 0.000 2.676 7.377) 7.847 4.651 ( 0.000 -3.326 1.707) 3.738 7.515 ( 0.000 38.752 -0.290) 38.753 7.518 ( 0.000 40.267 -0.445) 40.269 8.754 ( 0.000 -12.320 1.748) 12.443 8.844 ( 0.000 -16.939 -2.712) 17.155 10.466 ( 0.000 14.897 1.913) 15.020 10.557 ( 0.000 22.791 -2.430) 22.920 11.396 ( 0.000 -25.124 7.732) 26.287 11.657 ( 0.000 -25.107 -4.664) 25.537 12.166 ( 0.000 12.712 1.171) 12.766 12.276 ( 0.000 8.740 -4.836) 9.988 12.682 ( 0.000 29.464 1.059) 29.483 12.719 ( 0.000 29.945 -0.699) 29.954 12.781 ( 0.000 -9.974 3.934) 10.722 12.883 ( 0.000 -7.494 -1.390) 7.622 13.900 ( 0.000 -18.033 0.444) 18.039 13.916 ( 0.000 -16.692 -0.309) 16.695 19.504 ( 0.000 0.333 2.746) 2.766 19.590 ( 0.000 -5.971 -1.204) 6.091 19.625 ( 0.000 -2.331 0.702) 2.434 19.678 ( 0.000 -2.946 -2.132) 3.637 ======================= Grid point 325 (112/160) ======================= q-point: ( 0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 4.708 3.084 -1.272) 5.770 1.566 ( 4.948 0.448 -3.562) 6.113 1.851 ( 2.114 6.508 4.155) 8.005 2.057 ( 1.766 3.452 -5.237) 6.517 2.145 ( 0.457 -5.430 -0.771) 5.503 2.267 ( 0.948 -4.960 -6.249) 8.034 2.962 ( -2.217 4.286 2.585) 5.474 2.992 ( -3.001 1.317 2.164) 3.927 3.021 ( -2.579 3.978 -0.643) 4.785 3.070 ( -2.220 2.186 -1.348) 3.395 3.226 ( -1.701 5.372 0.380) 5.648 3.237 ( -1.252 4.925 0.585) 5.116 4.051 ( 3.492 0.464 1.685) 3.905 4.144 ( 3.824 -3.052 -3.247) 5.873 4.546 ( 0.760 1.320 7.228) 7.387 4.658 ( 0.712 -4.270 1.475) 4.574 7.493 ( -2.386 39.545 -0.280) 39.618 7.496 ( -1.957 38.372 -0.378) 38.424 8.717 ( -3.714 -12.333 1.507) 12.968 8.793 ( -5.026 -16.445 -2.284) 17.346 10.466 ( 0.045 15.331 1.779) 15.434 10.551 ( -0.617 22.413 -2.268) 22.536 11.389 ( -0.649 -24.437 6.826) 25.381 11.631 ( -2.535 -24.823 -4.811) 25.411 12.204 ( 3.738 11.297 1.372) 11.978 12.305 ( 2.844 8.084 -4.070) 9.487 12.684 ( 0.220 28.709 0.979) 28.726 12.718 ( -0.066 29.538 -0.662) 29.545 12.780 ( -0.183 -8.448 3.747) 9.244 12.879 ( -0.476 -6.787 -1.408) 6.948 13.902 ( 0.208 -17.899 0.419) 17.905 13.917 ( 0.094 -16.619 -0.283) 16.621 19.503 ( -0.051 1.038 2.525) 2.730 19.584 ( -0.785 -3.281 -1.235) 3.592 19.636 ( 1.381 -4.138 0.794) 4.434 19.692 ( 1.267 -4.572 -1.986) 5.144 ======================= Grid point 326 (113/160) ======================= q-point: ( 0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 7.225 3.462 -1.416) 8.136 1.682 ( 6.416 1.085 -3.562) 7.418 1.908 ( 3.593 3.539 3.499) 6.138 2.087 ( 0.579 -1.405 -5.443) 5.651 2.173 ( 3.151 -0.655 0.717) 3.297 2.300 ( 2.865 -3.938 -6.009) 7.734 2.844 ( -9.770 0.631 0.888) 9.831 2.882 ( -6.236 0.276 -0.462) 6.259 3.024 ( 0.645 5.045 0.805) 5.149 3.043 ( -0.051 4.682 0.375) 4.697 3.182 ( -2.807 5.870 0.412) 6.519 3.201 ( -2.351 4.850 0.042) 5.391 4.135 ( 4.916 3.231 2.907) 6.562 4.231 ( 4.620 0.664 -1.925) 5.049 4.565 ( 1.208 -2.408 6.615) 7.143 4.672 ( 0.579 -6.291 1.084) 6.410 7.436 ( -3.149 38.015 0.024) 38.146 7.447 ( -2.868 37.239 -0.469) 37.352 8.627 ( -5.149 -12.479 0.987) 13.536 8.672 ( -6.824 -15.374 -1.296) 16.870 10.469 ( 0.284 16.339 1.353) 16.397 10.535 ( -1.031 21.413 -1.795) 21.513 11.379 ( -0.204 -23.202 4.528) 23.641 11.567 ( -3.901 -24.137 -4.651) 24.889 12.295 ( 5.316 8.234 1.711) 9.949 12.374 ( 3.916 6.252 -2.353) 7.743 12.690 ( 0.435 27.417 0.713) 27.429 12.716 ( -0.151 28.642 -0.523) 28.647 12.774 ( -0.444 -4.910 3.114) 5.831 12.861 ( -1.406 -4.967 -1.357) 5.337 13.907 ( 0.312 -17.565 0.342) 17.571 13.919 ( 0.083 -16.505 -0.209) 16.506 19.503 ( 0.111 2.407 1.997) 3.130 19.563 ( -1.256 0.275 -0.760) 1.493 19.674 ( 2.294 -6.736 0.483) 7.132 19.720 ( 1.438 -6.974 -1.654) 7.310 ======================= Grid point 327 (114/160) ======================= q-point: ( 0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 5.526 4.587 -1.882) 7.424 1.787 ( 4.089 3.607 -2.830) 6.143 1.978 ( 3.366 -1.575 1.069) 3.867 2.074 ( -1.639 -4.223 -3.873) 5.960 2.270 ( 6.718 1.995 1.338) 7.134 2.391 ( 6.673 -3.161 -5.174) 9.016 2.642 ( -10.835 0.960 1.538) 10.985 2.736 ( -8.700 -2.955 -3.094) 9.695 3.039 ( 1.221 6.266 1.106) 6.479 3.062 ( 1.624 5.310 0.490) 5.574 3.125 ( -2.904 6.348 0.681) 7.014 3.151 ( -2.687 4.933 -0.147) 5.619 4.227 ( 4.343 5.667 3.401) 7.908 4.297 ( 1.725 5.182 0.271) 5.468 4.596 ( 2.134 -6.964 4.845) 8.748 4.672 ( -0.764 -8.040 1.246) 8.172 7.385 ( -1.907 36.437 0.150) 36.488 7.396 ( -2.236 36.154 -0.336) 36.225 8.539 ( -3.541 -12.912 0.529) 13.399 8.556 ( -4.703 -14.362 -0.359) 15.117 10.478 ( 0.647 17.515 0.653) 17.539 10.514 ( -1.134 20.103 -1.070) 20.163 11.387 ( 1.178 -22.471 1.594) 22.558 11.490 ( -3.879 -23.267 -3.491) 23.846 12.393 ( 4.435 5.064 1.831) 6.976 12.439 ( 2.415 3.897 -0.377) 4.600 12.699 ( 0.458 27.016 0.310) 27.022 12.712 ( -0.257 27.479 -0.287) 27.482 12.768 ( 0.060 -1.336 1.817) 2.256 12.825 ( -2.225 -2.530 -0.996) 3.513 13.913 ( 0.288 -17.158 0.215) 17.162 13.920 ( -0.032 -16.539 -0.090) 16.539 19.508 ( 0.423 3.435 1.322) 3.704 19.539 ( -1.158 2.502 -0.110) 2.759 19.716 ( 1.907 -8.414 -0.010) 8.628 19.741 ( 0.673 -8.600 -1.169) 8.705 ======================= Grid point 328 (115/160) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -0.445 5.373 -2.131) 5.797 1.825 ( 0.445 5.373 -2.131) 5.797 2.033 ( -2.467 -4.492 -2.075) 5.529 2.033 ( 2.467 -4.492 -2.075) 5.529 2.427 ( -9.007 2.111 1.997) 9.465 2.427 ( 9.007 2.111 1.997) 9.465 2.563 ( -8.502 -3.966 -4.331) 10.333 2.563 ( 8.502 -3.966 -4.331) 10.333 3.072 ( -2.100 6.668 0.880) 7.046 3.072 ( 2.100 6.668 0.880) 7.046 3.103 ( -2.180 5.089 0.170) 5.539 3.103 ( 2.180 5.089 0.170) 5.539 4.291 ( -2.127 6.831 2.538) 7.591 4.291 ( 2.127 6.831 2.538) 7.591 4.642 ( -2.258 -8.750 2.517) 9.381 4.642 ( 2.258 -8.750 2.517) 9.381 7.370 ( -0.327 35.746 -0.032) 35.747 7.370 ( 0.327 35.746 -0.032) 35.748 8.506 ( -0.389 -13.570 0.185) 13.577 8.506 ( 0.389 -13.570 0.185) 13.577 10.493 ( -0.971 18.765 -0.206) 18.791 10.493 ( 0.971 18.765 -0.206) 18.791 11.425 ( -2.783 -22.564 -1.282) 22.771 11.425 ( 2.783 -22.564 -1.282) 22.771 12.451 ( -1.343 3.082 1.276) 3.596 12.451 ( 1.343 3.082 1.276) 3.596 12.706 ( -0.319 27.043 -0.012) 27.044 12.706 ( 0.319 27.043 -0.012) 27.044 12.785 ( -1.725 -0.486 0.055) 1.793 12.785 ( 1.725 -0.486 0.055) 1.793 13.918 ( -0.178 -16.782 0.060) 16.783 13.918 ( 0.178 -16.782 0.060) 16.783 19.520 ( -0.813 3.547 0.600) 3.688 19.520 ( 0.813 3.547 0.600) 3.688 19.742 ( -0.675 -9.093 -0.590) 9.137 19.742 ( 0.675 -9.093 -0.590) 9.137 ======================= Grid point 333 (116/160) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.000 -1.108 -2.251) 2.509 1.510 ( 0.000 1.108 -2.251) 2.509 1.986 ( 0.000 -7.678 0.061) 7.678 1.986 ( 0.000 7.678 0.061) 7.678 2.146 ( 0.000 -5.322 -4.705) 7.104 2.146 ( 0.000 5.322 -4.705) 7.104 3.031 ( 0.000 -0.090 2.822) 2.823 3.031 ( 0.000 0.090 2.822) 2.823 3.105 ( 0.000 -1.145 -1.202) 1.661 3.105 ( 0.000 1.145 -1.202) 1.661 3.300 ( 0.000 -0.183 0.702) 0.726 3.300 ( 0.000 0.183 0.702) 0.726 4.030 ( 0.000 -2.431 -1.846) 3.052 4.030 ( 0.000 2.431 -1.846) 3.052 4.593 ( 0.000 -2.626 4.628) 5.321 4.593 ( 0.000 2.626 4.628) 5.321 8.243 ( 0.000 -15.385 -0.419) 15.391 8.243 ( 0.000 15.385 -0.419) 15.391 8.308 ( 0.000 -17.014 -0.469) 17.020 8.308 ( 0.000 17.014 -0.469) 17.020 10.886 ( 0.000 -24.194 5.531) 24.818 10.886 ( 0.000 24.194 5.531) 24.818 11.098 ( 0.000 -28.329 -4.660) 28.710 11.098 ( 0.000 28.329 -4.660) 28.710 12.364 ( 0.000 -4.460 -0.870) 4.545 12.364 ( 0.000 4.460 -0.870) 4.545 12.599 ( 0.000 -3.352 0.740) 3.433 12.599 ( 0.000 3.352 0.740) 3.433 13.365 ( 0.000 -6.930 -0.696) 6.965 13.365 ( 0.000 6.930 -0.696) 6.965 13.495 ( 0.000 -7.038 1.040) 7.114 13.495 ( 0.000 7.038 1.040) 7.114 19.511 ( 0.000 -1.702 -0.072) 1.703 19.511 ( 0.000 1.702 -0.072) 1.703 19.626 ( 0.000 -1.722 0.274) 1.743 19.626 ( 0.000 1.722 0.274) 1.743 ======================= Grid point 335 (117/160) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 4.826 -1.190 -2.272) 5.465 1.558 ( 4.826 1.190 -2.272) 5.465 1.993 ( 0.616 -7.052 -0.222) 7.082 1.993 ( 0.616 7.052 -0.222) 7.082 2.163 ( 1.820 -4.854 -4.331) 6.756 2.163 ( 1.820 4.854 -4.331) 6.756 2.999 ( -4.358 -0.252 1.433) 4.595 2.999 ( -4.358 0.252 1.433) 4.595 3.083 ( -0.921 -1.284 -0.094) 1.583 3.083 ( -0.921 1.284 -0.094) 1.583 3.287 ( -1.429 -0.284 0.551) 1.557 3.287 ( -1.429 0.284 0.551) 1.557 4.083 ( 5.099 -2.573 -1.148) 5.826 4.083 ( 5.099 2.573 -1.148) 5.826 4.588 ( -0.500 -2.711 4.450) 5.235 4.588 ( -0.500 2.711 4.450) 5.235 8.209 ( -3.372 -11.113 -0.581) 11.628 8.209 ( -3.372 11.113 -0.581) 11.628 8.274 ( -3.379 -12.613 -0.180) 13.059 8.274 ( -3.379 12.613 -0.180) 13.059 10.886 ( 0.100 -23.963 4.998) 24.479 10.886 ( 0.100 23.963 4.998) 24.479 11.082 ( -1.643 -27.801 -4.371) 28.190 11.082 ( -1.643 27.801 -4.371) 28.190 12.387 ( 2.187 -4.360 -0.661) 4.922 12.387 ( 2.187 4.360 -0.661) 4.922 12.599 ( -0.015 -3.436 0.656) 3.498 12.599 ( -0.015 3.436 0.656) 3.498 13.372 ( 0.755 -7.137 -0.639) 7.205 13.372 ( 0.755 7.137 -0.639) 7.205 13.495 ( -0.048 -7.171 0.965) 7.236 13.495 ( -0.048 7.171 0.965) 7.236 19.520 ( 0.901 -1.857 -0.074) 2.065 19.520 ( 0.901 1.857 -0.074) 2.066 19.626 ( -0.035 -1.853 0.255) 1.870 19.626 ( -0.035 1.853 0.255) 1.870 ======================= Grid point 337 (118/160) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 7.497 -1.150 -2.357) 7.942 1.681 ( 7.497 1.150 -2.357) 7.942 2.002 ( 0.106 -5.267 -1.019) 5.366 2.002 ( 0.106 5.267 -1.019) 5.366 2.218 ( 4.072 -3.751 -3.300) 6.445 2.218 ( 4.072 3.751 -3.300) 6.445 2.864 ( -8.907 -1.257 -0.337) 9.001 2.864 ( -8.907 1.257 -0.337) 9.001 3.086 ( 0.902 -0.611 1.090) 1.542 3.086 ( 0.902 0.611 1.090) 1.542 3.248 ( -2.462 -0.472 0.319) 2.527 3.248 ( -2.462 0.472 0.319) 2.527 4.206 ( 7.213 -3.040 0.312) 7.834 4.206 ( 7.213 3.040 0.312) 7.834 4.571 ( -1.367 -3.109 3.975) 5.228 4.571 ( -1.367 3.109 3.975) 5.228 8.129 ( -4.459 -3.206 -0.651) 5.530 8.129 ( -4.459 3.205 -0.651) 5.530 8.190 ( -4.962 -4.323 0.223) 6.585 8.190 ( -4.962 4.323 0.223) 6.585 10.892 ( 0.517 -23.494 3.566) 23.769 10.892 ( 0.517 23.494 3.566) 23.769 11.040 ( -2.589 -26.463 -3.511) 26.821 11.040 ( -2.589 26.463 -3.511) 26.821 12.441 ( 3.212 -4.065 -0.220) 5.185 12.441 ( 3.212 4.065 -0.220) 5.186 12.596 ( -0.367 -3.556 0.482) 3.608 12.596 ( -0.367 3.556 0.482) 3.608 13.393 ( 1.347 -7.594 -0.467) 7.726 13.393 ( 1.347 7.594 -0.467) 7.726 13.491 ( -0.419 -7.505 0.756) 7.554 13.491 ( -0.419 7.505 0.756) 7.554 19.544 ( 1.465 -2.225 -0.070) 2.665 19.544 ( 1.465 2.225 -0.070) 2.665 19.624 ( -0.219 -2.200 0.201) 2.220 19.624 ( -0.219 2.200 0.201) 2.220 ======================= Grid point 339 (119/160) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 6.923 -1.019 -2.487) 7.426 1.825 ( 6.923 1.019 -2.487) 7.426 1.989 ( -1.651 -3.228 -1.897) 4.092 1.989 ( -1.651 3.228 -1.897) 4.092 2.324 ( 6.985 -3.160 -2.113) 7.952 2.324 ( 6.985 3.160 -2.113) 7.952 2.677 ( -10.224 -2.480 -0.871) 10.556 2.677 ( -10.224 2.480 -0.871) 10.556 3.111 ( 1.633 -0.608 0.946) 1.983 3.111 ( 1.633 0.608 0.946) 1.983 3.197 ( -2.703 -0.628 0.275) 2.788 3.197 ( -2.703 0.628 0.275) 2.788 4.343 ( 6.753 -3.675 1.699) 7.874 4.343 ( 6.753 3.675 1.699) 7.874 4.531 ( -2.882 -3.717 3.362) 5.781 4.531 ( -2.882 3.717 3.362) 5.781 8.058 ( -2.441 -1.785 -0.344) 3.043 8.058 ( -2.441 1.784 -0.344) 3.043 8.099 ( -4.144 -1.199 0.282) 4.323 8.099 ( -4.144 1.200 0.282) 4.324 10.909 ( 1.276 -23.284 1.639) 23.376 10.909 ( 1.276 23.284 1.639) 23.376 10.988 ( -2.670 -24.910 -2.135) 25.143 10.988 ( -2.670 24.910 -2.135) 25.143 12.502 ( 2.992 -3.692 0.130) 4.754 12.502 ( 2.992 3.692 0.130) 4.754 12.582 ( -1.125 -3.538 0.352) 3.729 12.582 ( -1.125 3.538 0.352) 3.729 13.422 ( 1.626 -7.982 -0.195) 8.148 13.422 ( 1.626 7.982 -0.195) 8.148 13.477 ( -1.019 -7.875 0.462) 7.955 13.477 ( -1.019 7.876 0.462) 7.955 19.573 ( 1.519 -2.585 -0.037) 2.999 19.573 ( 1.519 2.585 -0.037) 2.999 19.616 ( -0.624 -2.570 0.119) 2.647 19.616 ( -0.624 2.570 0.119) 2.647 ======================= Grid point 341 (120/160) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -2.647 -4.917 -2.412) 6.083 1.933 ( -0.310 -4.738 -2.412) 5.326 1.933 ( 0.310 4.738 -2.412) 5.326 1.933 ( 2.647 4.917 -2.412) 6.083 2.484 ( -9.336 -3.350 -1.306) 10.004 2.484 ( -6.905 1.163 -1.306) 7.123 2.484 ( 6.905 -1.163 -1.306) 7.123 2.484 ( 9.336 3.350 -1.306) 10.004 3.149 ( -2.255 -0.719 0.538) 2.428 3.149 ( -1.905 0.390 0.538) 2.017 3.149 ( 1.905 -0.390 0.538) 2.017 3.149 ( 2.255 0.719 0.538) 2.428 4.457 ( -3.078 -8.811 2.672) 9.708 4.457 ( 0.919 -8.687 2.672) 9.136 4.457 ( -0.919 8.688 2.672) 9.136 4.457 ( 3.078 8.811 2.672) 9.708 8.045 ( -0.148 -29.427 0.049) 29.427 8.045 ( 0.100 -29.427 0.049) 29.427 8.045 ( -0.100 29.427 0.049) 29.427 8.045 ( 0.148 29.427 0.049) 29.427 10.941 ( -2.102 -23.914 -0.359) 24.009 10.941 ( 2.099 -23.914 -0.359) 24.008 10.941 ( -2.099 23.914 -0.359) 24.008 10.941 ( 2.102 23.914 -0.359) 24.009 12.551 ( -1.226 -7.237 0.280) 7.345 12.551 ( 0.753 -7.220 0.280) 7.265 12.551 ( -0.753 7.220 0.280) 7.265 12.551 ( 1.226 7.237 0.280) 7.345 13.453 ( -0.445 -29.571 0.132) 29.574 13.453 ( 0.375 -29.570 0.132) 29.573 13.453 ( -0.375 29.570 0.132) 29.573 13.453 ( 0.445 29.571 0.132) 29.574 19.599 ( -0.713 -4.961 0.031) 5.012 19.599 ( 0.527 -4.956 0.031) 4.984 19.599 ( -0.527 4.956 0.031) 4.984 19.599 ( 0.713 4.961 0.031) 5.012 ======================= Grid point 405 (121/160) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( 0.000 0.000 -1.662) 1.662 0.240 ( 0.000 0.000 1.662) 1.662 1.106 ( 0.000 0.000 -14.276) 14.276 1.106 ( 0.000 0.000 14.276) 14.276 1.319 ( 0.000 0.000 -3.976) 3.976 1.319 ( 0.000 0.000 3.976) 3.976 1.707 ( 0.000 0.000 -18.021) 18.021 1.707 ( 0.000 0.000 18.021) 18.021 2.585 ( 0.000 0.000 -4.008) 4.008 2.585 ( 0.000 0.000 4.008) 4.008 2.768 ( 0.000 0.000 -12.531) 12.531 2.768 ( 0.000 0.000 12.531) 12.531 2.984 ( 0.000 0.000 -3.341) 3.341 2.984 ( 0.000 0.000 3.341) 3.341 4.047 ( 0.000 0.000 -6.772) 6.772 4.047 ( 0.000 0.000 6.772) 6.772 5.224 ( 0.000 0.000 -6.646) 6.646 5.224 ( 0.000 0.000 6.646) 6.646 6.411 ( 0.000 0.000 -11.152) 11.152 6.411 ( 0.000 0.000 11.152) 11.152 9.164 ( 0.000 0.000 -1.588) 1.588 9.164 ( 0.000 0.000 1.588) 1.588 9.644 ( 0.000 0.000 -5.555) 5.555 9.644 ( 0.000 0.000 5.555) 5.555 11.671 ( 0.000 0.000 -9.141) 9.141 11.671 ( 0.000 0.000 9.141) 9.141 13.765 ( 0.000 0.000 -4.230) 4.230 13.765 ( 0.000 0.000 4.230) 4.230 15.453 ( 0.000 0.000 -1.201) 1.201 15.453 ( 0.000 0.000 1.201) 1.201 15.858 ( 0.000 0.000 -0.663) 0.663 15.858 ( 0.000 0.000 0.663) 0.663 17.197 ( 0.000 0.000 -0.071) 0.071 17.197 ( 0.000 0.000 0.071) 0.071 20.214 ( 0.000 0.000 -0.014) 0.014 20.214 ( 0.000 0.000 0.014) 0.014 ======================= Grid point 407 (122/160) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 11.649 0.000 -0.905) 11.684 0.380 ( 11.649 0.000 0.905) 11.684 1.109 ( 3.115 0.000 -15.229) 15.544 1.109 ( 3.115 0.000 15.229) 15.544 1.310 ( -0.943 0.000 -3.704) 3.822 1.310 ( -0.943 0.000 3.704) 3.822 1.863 ( 13.142 0.000 -12.154) 17.901 1.863 ( 13.142 0.000 12.154) 17.901 2.565 ( -1.985 0.000 -3.753) 4.246 2.565 ( -1.985 0.000 3.753) 4.246 2.778 ( -0.397 0.000 -9.567) 9.575 2.778 ( -0.397 0.000 9.567) 9.575 3.015 ( 3.539 0.000 -1.815) 3.977 3.015 ( 3.539 0.000 1.815) 3.977 4.095 ( 5.255 0.000 -7.419) 9.091 4.095 ( 5.255 0.000 7.419) 9.091 5.044 ( -16.219 0.000 -9.333) 18.713 5.044 ( -16.219 0.000 9.333) 18.713 6.354 ( -6.621 0.000 -10.555) 12.459 6.354 ( -6.621 0.000 10.555) 12.459 9.166 ( 0.192 0.000 -1.468) 1.480 9.166 ( 0.192 0.000 1.468) 1.480 9.669 ( 2.046 0.000 -5.615) 5.976 9.669 ( 2.046 0.000 5.615) 5.976 11.680 ( 1.401 0.000 -8.321) 8.439 11.680 ( 1.401 0.000 8.321) 8.439 13.692 ( -6.464 0.000 -9.066) 11.134 13.692 ( -6.464 0.000 9.066) 11.134 15.444 ( -0.481 0.000 -0.620) 0.785 15.444 ( -0.481 0.000 0.620) 0.785 16.048 ( 16.758 0.000 -14.048) 21.867 16.048 ( 16.758 0.000 14.048) 21.867 17.198 ( 0.056 0.000 -0.065) 0.086 17.198 ( 0.056 0.000 0.065) 0.086 20.213 ( -0.053 0.000 -0.025) 0.058 20.213 ( -0.053 0.000 0.025) 0.058 ======================= Grid point 409 (123/160) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 12.181 0.000 -0.410) 12.188 0.617 ( 12.181 0.000 0.410) 12.188 1.273 ( 13.071 0.000 -12.427) 18.036 1.273 ( 13.071 0.000 12.427) 18.036 1.281 ( -2.080 0.000 -2.935) 3.597 1.281 ( -2.080 0.000 2.935) 3.597 2.122 ( 12.725 0.000 -5.155) 13.729 2.122 ( 12.725 0.000 5.155) 13.729 2.515 ( -2.993 0.000 -2.976) 4.221 2.515 ( -2.993 0.000 2.976) 4.221 2.732 ( -3.770 0.000 -4.221) 5.659 2.732 ( -3.770 0.000 4.221) 5.659 3.072 ( 0.206 0.000 -7.812) 7.815 3.072 ( 0.206 0.000 7.812) 7.815 4.254 ( 10.293 0.000 -8.055) 13.070 4.254 ( 10.293 0.000 8.055) 13.070 4.732 ( -12.435 0.000 -13.050) 18.026 4.732 ( -12.435 0.000 13.050) 18.026 6.141 ( -15.371 0.000 -9.025) 17.825 6.141 ( -15.371 0.000 9.025) 17.825 9.170 ( 0.271 0.000 -1.124) 1.156 9.170 ( 0.271 0.000 1.124) 1.156 9.703 ( 1.304 0.000 -4.702) 4.879 9.703 ( 1.304 0.000 4.702) 4.879 11.736 ( 4.307 0.000 -5.967) 7.359 11.736 ( 4.307 0.000 5.967) 7.359 13.560 ( -6.567 0.000 -10.534) 12.414 13.560 ( -6.567 0.000 10.534) 12.414 15.439 ( -0.120 0.000 -0.114) 0.165 15.439 ( -0.120 0.000 0.114) 0.165 16.383 ( 15.943 0.000 -17.052) 23.344 16.383 ( 15.943 0.000 17.052) 23.344 17.199 ( 0.079 0.000 -0.050) 0.093 17.199 ( 0.079 0.000 0.050) 0.093 20.212 ( -0.075 0.000 -0.032) 0.081 20.212 ( -0.075 0.000 0.032) 0.081 ======================= Grid point 411 (124/160) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 9.008 0.000 -0.300) 9.013 0.826 ( 9.008 0.000 0.300) 9.013 1.231 ( -3.031 0.000 -1.767) 3.508 1.231 ( -3.031 0.000 1.767) 3.508 1.542 ( 12.887 0.000 -8.841) 15.628 1.542 ( 12.887 0.000 8.841) 15.628 2.326 ( 7.893 0.000 -7.356) 10.790 2.326 ( 7.893 0.000 7.356) 10.790 2.461 ( -2.275 0.000 -1.677) 2.826 2.461 ( -2.275 0.000 1.677) 2.826 2.667 ( -1.937 0.000 -2.335) 3.034 2.667 ( -1.937 0.000 2.335) 3.034 2.990 ( -7.787 0.000 -12.915) 15.081 2.990 ( -7.787 0.000 12.915) 15.081 4.335 ( -2.779 0.000 -0.712) 2.869 4.335 ( -2.779 0.000 0.712) 2.869 4.758 ( 14.924 0.000 -14.202) 20.601 4.758 ( 14.924 0.000 14.202) 20.601 5.791 ( -19.837 0.000 -8.782) 21.694 5.791 ( -19.837 0.000 8.782) 21.694 9.175 ( 0.191 0.000 -0.609) 0.638 9.175 ( 0.191 0.000 0.609) 0.638 9.718 ( 0.343 0.000 -2.603) 2.626 9.718 ( 0.343 0.000 2.603) 2.626 11.825 ( 4.112 0.000 -3.149) 5.179 11.825 ( 4.112 0.000 3.149) 5.179 13.455 ( -4.081 0.000 -6.796) 7.927 13.455 ( -4.081 0.000 6.796) 7.927 15.438 ( 0.013 0.000 -0.029) 0.032 15.438 ( 0.013 0.000 0.029) 0.032 16.619 ( 8.343 0.000 -10.536) 13.439 16.619 ( 8.343 0.000 10.536) 13.439 17.201 ( 0.056 0.000 -0.027) 0.062 17.201 ( 0.056 0.000 0.027) 0.062 20.211 ( -0.053 0.000 -0.022) 0.057 20.211 ( -0.053 0.000 0.022) 0.057 ======================= Grid point 413 (125/160) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 0.000 0.000) 0.000 0.925 ( 0.000 0.000 0.000) 0.000 1.190 ( 0.000 0.000 0.000) 0.000 1.190 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 -0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 -0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.518 ( -0.000 0.000 -0.000) 0.000 5.518 ( 0.000 0.000 -0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.721 ( 0.000 0.000 0.000) 0.000 9.721 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 13.414 ( 0.000 0.000 0.000) 0.000 13.414 ( 0.000 0.000 0.000) 0.000 15.438 ( 0.000 0.000 0.000) 0.000 15.438 ( 0.000 0.000 0.000) 0.000 16.699 ( 0.000 0.000 0.000) 0.000 16.699 ( 0.000 0.000 0.000) 0.000 17.201 ( 0.000 0.000 0.000) 0.000 17.201 ( 0.000 0.000 0.000) 0.000 20.210 ( 0.000 0.000 0.000) 0.000 20.210 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 423 (126/160) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.000 31.204 -3.235) 31.371 0.858 ( 0.000 31.204 3.235) 31.371 1.112 ( 0.000 1.846 -12.395) 12.532 1.112 ( 0.000 1.846 12.395) 12.532 1.383 ( 0.000 5.432 -7.689) 9.414 1.383 ( 0.000 5.432 7.689) 9.414 1.795 ( 0.000 8.622 -13.398) 15.933 1.795 ( 0.000 8.622 13.398) 15.933 2.778 ( 0.000 1.410 -11.083) 11.172 2.778 ( 0.000 1.410 11.083) 11.172 2.979 ( 0.000 -0.335 -2.657) 2.678 2.979 ( 0.000 -0.335 2.657) 2.678 3.201 ( 0.000 50.662 -2.402) 50.719 3.201 ( 0.000 50.662 2.402) 50.719 4.105 ( 0.000 7.851 -7.044) 10.548 4.105 ( 0.000 7.851 7.044) 10.548 5.217 ( 0.000 -0.086 -6.239) 6.239 5.217 ( 0.000 -0.086 6.239) 6.239 6.240 ( 0.000 -14.304 -6.983) 15.918 6.240 ( 0.000 -14.304 6.983) 15.918 9.425 ( 0.000 24.050 -1.122) 24.076 9.425 ( 0.000 24.050 1.122) 24.076 9.679 ( 0.000 3.431 -5.378) 6.379 9.679 ( 0.000 3.431 5.378) 6.379 11.634 ( 0.000 -3.562 -8.907) 9.593 11.634 ( 0.000 -3.562 8.907) 9.593 13.625 ( 0.000 -12.779 -0.300) 12.783 13.625 ( 0.000 -12.779 0.300) 12.783 15.154 ( 0.000 -23.419 -1.794) 23.488 15.154 ( 0.000 -23.419 1.794) 23.488 15.657 ( 0.000 -14.977 -3.373) 15.352 15.657 ( 0.000 -14.977 3.373) 15.352 17.734 ( 0.000 40.152 -11.630) 41.802 17.734 ( 0.000 40.152 11.630) 41.802 20.207 ( 0.000 -0.786 -0.037) 0.787 20.207 ( 0.000 -0.786 0.037) 0.787 ======================= Grid point 425 (127/160) ======================= q-point: ( 0.12 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 2.007 25.682 -1.786) 25.822 0.874 ( 2.007 25.682 1.786) 25.822 1.128 ( 3.954 5.710 -13.069) 14.800 1.128 ( 3.954 5.710 13.069) 14.800 1.440 ( 3.370 9.424 -4.476) 10.964 1.440 ( 3.370 9.424 4.476) 10.964 1.894 ( 9.610 4.108 -10.723) 14.974 1.894 ( 9.610 4.108 10.723) 14.974 2.764 ( -1.827 0.432 -8.025) 8.241 2.764 ( -1.827 0.432 8.025) 8.241 2.999 ( 1.624 2.046 -2.170) 3.396 2.999 ( 1.624 2.046 2.170) 3.396 3.221 ( 1.922 49.749 -2.190) 49.834 3.221 ( 1.922 49.749 2.190) 49.834 4.149 ( 4.860 7.265 -7.627) 11.600 4.149 ( 4.860 7.265 7.627) 11.600 5.050 ( -15.137 1.255 -8.745) 17.526 5.050 ( -15.137 1.255 8.745) 17.526 6.187 ( -6.080 -14.028 -6.869) 16.761 6.187 ( -6.080 -14.028 6.869) 16.761 9.430 ( 0.575 23.529 -0.886) 23.553 9.430 ( 0.575 23.529 0.886) 23.553 9.707 ( 2.300 4.430 -5.356) 7.322 9.707 ( 2.300 4.430 5.356) 7.322 11.640 ( 0.977 -3.881 -8.182) 9.108 11.640 ( 0.977 -3.881 8.182) 9.108 13.576 ( -4.466 -10.781 -7.468) 13.855 13.576 ( -4.466 -10.781 7.468) 13.855 15.136 ( -1.138 -24.200 -1.232) 24.258 15.136 ( -1.138 -24.200 1.232) 24.258 15.822 ( 14.715 -17.362 -8.812) 24.405 15.822 ( 14.715 -17.362 8.812) 24.405 17.711 ( -2.308 38.407 -10.360) 39.846 17.711 ( -2.308 38.407 10.360) 39.846 20.217 ( 0.956 0.128 -0.341) 1.023 20.217 ( 0.956 0.128 0.341) 1.023 ======================= Grid point 427 (128/160) ======================= q-point: ( 0.25 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 5.418 20.246 -1.456) 21.009 0.949 ( 5.418 20.246 1.456) 21.009 1.268 ( 8.779 5.518 -9.871) 14.317 1.268 ( 8.779 5.518 9.871) 14.317 1.490 ( 2.988 13.522 -3.151) 14.202 1.490 ( 2.988 13.522 3.151) 14.202 2.112 ( 11.873 0.230 -5.202) 12.965 2.112 ( 11.873 0.230 5.202) 12.965 2.708 ( -3.637 -0.755 -3.969) 5.436 2.708 ( -3.637 -0.755 3.969) 5.436 3.009 ( -1.403 7.484 -7.860) 10.943 3.009 ( -1.403 7.484 7.860) 10.943 3.253 ( 0.534 47.785 -1.667) 47.817 3.253 ( 0.534 47.785 1.667) 47.817 4.294 ( 9.086 5.397 -8.199) 13.376 4.294 ( 9.086 5.397 8.199) 13.376 4.754 ( -11.963 2.707 -12.429) 17.462 4.754 ( -11.963 2.707 12.429) 17.462 5.993 ( -13.972 -12.445 -6.942) 19.957 5.993 ( -13.972 -12.445 6.942) 19.957 9.447 ( 1.159 24.024 -0.667) 24.061 9.447 ( 1.159 24.024 0.667) 24.061 9.741 ( 0.888 4.834 -4.656) 6.770 9.741 ( 0.888 4.834 4.656) 6.770 11.683 ( 3.472 -5.041 -5.957) 8.541 11.683 ( 3.472 -5.041 5.957) 8.541 13.479 ( -5.101 -7.763 -9.298) 13.143 13.479 ( -5.101 -7.763 9.298) 13.143 15.123 ( -0.203 -25.089 -0.524) 25.095 15.123 ( -0.203 -25.089 0.524) 25.095 16.125 ( 15.109 -20.923 -10.481) 27.855 16.125 ( 15.109 -20.923 10.481) 27.855 17.654 ( -3.306 34.603 -7.232) 35.505 17.654 ( -3.306 34.603 7.232) 35.505 20.239 ( 1.173 2.096 -0.642) 2.486 20.239 ( 1.173 2.096 0.642) 2.486 ======================= Grid point 429 (129/160) ======================= q-point: ( 0.38 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 4.670 17.207 -1.222) 17.871 1.053 ( 4.670 17.207 1.222) 17.871 1.367 ( 1.190 8.895 -3.056) 9.481 1.367 ( 1.190 8.895 3.056) 9.481 1.610 ( 8.502 8.019 -6.444) 13.346 1.610 ( 8.502 8.019 6.444) 13.346 2.319 ( 8.959 0.327 -8.058) 12.055 2.319 ( 8.959 0.327 8.058) 12.055 2.648 ( -1.656 -1.160 -1.862) 2.749 2.648 ( -1.656 -1.160 1.862) 2.749 2.927 ( -7.098 3.797 -13.161) 15.428 2.927 ( -7.098 3.797 13.161) 15.428 3.239 ( -1.243 56.282 -1.873) 56.327 3.239 ( -1.243 56.282 1.873) 56.327 4.352 ( -3.402 2.170 -0.987) 4.154 4.352 ( -3.402 2.170 0.987) 4.154 4.775 ( 13.816 2.137 -13.140) 19.187 4.775 ( 13.816 2.137 13.140) 19.187 5.672 ( -18.412 -9.717 -8.066) 22.327 5.672 ( -18.412 -9.717 8.066) 22.327 9.470 ( 1.046 26.224 -0.597) 26.252 9.470 ( 1.046 26.224 0.597) 26.252 9.743 ( -0.419 3.109 -2.836) 4.229 9.743 ( -0.419 3.109 2.836) 4.229 11.756 ( 3.446 -6.466 -3.095) 7.953 11.756 ( 3.446 -6.466 3.095) 7.953 13.395 ( -3.347 -5.838 -6.074) 9.066 13.395 ( -3.347 -5.838 6.074) 9.066 15.124 ( 0.135 -25.271 -0.189) 25.272 15.124 ( 0.135 -25.271 0.189) 25.272 16.359 ( 8.664 -22.904 -6.658) 25.376 16.359 ( 8.664 -22.904 6.658) 25.376 17.596 ( -2.459 31.353 -3.521) 31.646 17.596 ( -2.459 31.353 3.521) 31.646 20.258 ( 0.734 3.803 -0.496) 3.905 20.258 ( 0.734 3.803 0.496) 3.905 ======================= Grid point 431 (130/160) ======================= q-point: (-0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 15.650 0.000) 15.650 1.102 ( 0.000 15.650 0.000) 15.650 1.369 ( 0.000 11.445 0.000) 11.445 1.369 ( 0.000 11.445 0.000) 11.445 1.709 ( 0.000 4.191 0.000) 4.191 1.709 ( 0.000 4.191 0.000) 4.191 2.413 ( 0.000 1.166 -0.000) 1.166 2.413 ( 0.000 1.166 0.000) 1.166 2.660 ( 0.000 -0.829 0.000) 0.829 2.660 ( 0.000 -0.829 0.000) 0.829 2.810 ( 0.000 0.861 0.000) 0.861 2.810 ( 0.000 0.861 -0.000) 0.861 3.226 ( 0.000 61.387 0.000) 61.387 3.226 ( 0.000 61.387 0.000) 61.387 4.307 ( 0.000 0.968 0.000) 0.968 4.307 ( 0.000 0.968 0.000) 0.968 5.010 ( -0.000 1.043 0.000) 1.043 5.010 ( 0.000 1.043 0.000) 1.043 5.409 ( -0.000 -8.513 -0.000) 8.513 5.409 ( 0.000 -8.513 -0.000) 8.513 9.481 ( 0.000 27.747 0.000) 27.747 9.481 ( 0.000 27.747 0.000) 27.747 9.737 ( 0.000 1.667 0.000) 1.667 9.737 ( 0.000 1.667 0.000) 1.667 11.792 ( 0.000 -7.106 0.000) 7.106 11.792 ( 0.000 -7.106 0.000) 7.106 13.361 ( 0.000 -5.168 0.000) 5.168 13.361 ( 0.000 -5.168 0.000) 5.168 15.125 ( 0.000 -25.246 0.000) 25.246 15.125 ( 0.000 -25.246 0.000) 25.246 16.444 ( 0.000 -23.503 0.000) 23.503 16.444 ( 0.000 -23.503 0.000) 23.503 17.571 ( 0.000 30.186 0.000) 30.186 17.571 ( 0.000 30.186 0.000) 30.186 20.265 ( 0.000 4.450 0.000) 4.450 20.265 ( 0.000 4.450 0.000) 4.450 ======================= Grid point 441 (131/160) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 4.481 -5.977) 7.470 1.150 ( 0.000 4.481 5.977) 7.470 1.423 ( 0.000 20.477 -4.496) 20.965 1.423 ( 0.000 20.477 4.496) 20.965 1.525 ( 0.000 10.178 -10.863) 14.886 1.525 ( 0.000 10.178 10.863) 14.886 2.040 ( 0.000 14.658 -5.806) 15.766 2.040 ( 0.000 14.658 5.806) 15.766 2.814 ( 0.000 1.784 -7.612) 7.818 2.814 ( 0.000 1.784 7.612) 7.818 2.976 ( 0.000 0.354 -0.101) 0.368 2.976 ( 0.000 0.354 0.101) 0.368 3.924 ( 0.000 12.581 -3.794) 13.141 3.924 ( 0.000 12.581 3.794) 13.141 4.670 ( 0.000 40.260 -7.296) 40.916 4.670 ( 0.000 40.260 7.296) 40.916 5.284 ( 0.000 10.178 -4.945) 11.316 5.284 ( 0.000 10.178 4.945) 11.316 6.016 ( 0.000 1.281 -4.588) 4.764 6.016 ( 0.000 1.281 4.588) 4.764 9.790 ( 0.000 7.619 -4.870) 9.042 9.790 ( 0.000 7.619 4.870) 9.042 10.057 ( 0.000 35.833 -0.461) 35.836 10.057 ( 0.000 35.833 0.461) 35.836 11.533 ( 0.000 -6.053 -8.169) 10.168 11.533 ( 0.000 -6.053 8.169) 10.168 13.301 ( 0.000 -17.798 -5.372) 18.591 13.301 ( 0.000 -17.798 5.372) 18.591 14.673 ( 0.000 -22.873 -0.894) 22.890 14.673 ( 0.000 -22.873 0.894) 22.890 15.288 ( 0.000 -20.778 -3.852) 21.132 15.288 ( 0.000 -20.778 3.852) 21.132 18.526 ( 0.000 34.598 -18.617) 39.288 18.526 ( 0.000 34.598 18.617) 39.288 20.172 ( 0.000 -2.958 -0.151) 2.962 20.172 ( 0.000 -2.958 0.151) 2.962 ======================= Grid point 443 (132/160) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 1.695 7.449 -7.930) 11.011 1.146 ( 1.695 7.449 7.930) 11.011 1.477 ( 3.006 21.777 -2.057) 22.080 1.477 ( 3.006 21.777 2.057) 22.080 1.613 ( 8.667 7.166 -7.464) 13.497 1.613 ( 8.667 7.166 7.464) 13.497 2.062 ( 2.583 12.351 -5.852) 13.909 2.062 ( 2.583 12.351 5.852) 13.909 2.768 ( -3.966 0.239 -5.916) 7.127 2.768 ( -3.966 0.239 5.916) 7.127 3.007 ( 2.096 0.315 -1.085) 2.381 3.007 ( 2.096 0.315 1.085) 2.381 3.967 ( 4.300 12.277 -4.337) 13.712 3.967 ( 4.300 12.277 4.337) 13.712 4.684 ( 1.622 36.469 -7.330) 37.234 4.684 ( 1.622 36.469 7.330) 37.234 5.196 ( -8.416 20.535 -5.168) 22.786 5.196 ( -8.416 20.535 5.168) 22.786 5.947 ( -7.015 -1.732 -5.069) 8.827 5.947 ( -7.015 -1.732 5.069) 8.827 9.776 ( -0.856 8.314 -4.102) 9.310 9.776 ( -0.856 8.314 4.102) 9.310 10.108 ( 4.218 35.010 -1.958) 35.318 10.108 ( 4.218 35.010 1.958) 35.318 11.531 ( 0.102 -6.378 -7.643) 9.955 11.531 ( 0.102 -6.378 7.643) 9.955 13.289 ( -1.224 -16.492 -6.485) 17.763 13.289 ( -1.224 -16.492 6.485) 17.763 14.637 ( -2.884 -23.615 -0.978) 23.810 14.637 ( -2.884 -23.615 0.978) 23.810 15.399 ( 9.972 -23.497 -5.739) 26.162 15.399 ( 9.972 -23.497 5.739) 26.162 18.476 ( -4.719 33.958 -16.020) 37.842 18.476 ( -4.719 33.958 16.020) 37.842 20.202 ( 2.844 -2.052 -0.837) 3.605 20.202 ( 2.844 -2.052 0.837) 3.605 ======================= Grid point 445 (133/160) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 7.485 9.405 -5.258) 13.120 1.241 ( 7.485 9.405 5.258) 13.120 1.526 ( 2.112 17.602 -2.896) 17.964 1.526 ( 2.112 17.602 2.896) 17.964 1.776 ( 6.917 13.195 -1.461) 14.970 1.776 ( 6.917 13.195 1.461) 14.970 2.158 ( 7.724 5.281 -5.176) 10.693 2.158 ( 7.724 5.281 5.176) 10.693 2.684 ( -4.437 -1.118 -3.452) 5.732 2.684 ( -4.437 -1.118 3.452) 5.732 3.012 ( -2.479 -1.280 -6.924) 7.465 3.012 ( -2.479 -1.280 6.924) 7.465 4.079 ( 7.091 11.681 -4.901) 14.517 4.079 ( 7.091 11.681 4.901) 14.517 4.737 ( 3.500 21.801 -6.340) 22.973 4.737 ( 3.500 21.801 6.340) 22.973 5.013 ( -8.776 45.984 -4.717) 47.051 5.013 ( -8.776 45.984 4.717) 47.051 5.759 ( -12.151 -5.374 -6.134) 14.634 5.759 ( -12.151 -5.374 6.134) 14.634 9.771 ( 0.433 7.506 -2.770) 8.013 9.771 ( 0.433 7.506 2.770) 8.013 10.176 ( 2.284 35.913 -2.562) 36.077 10.176 ( 2.284 35.913 2.562) 36.077 11.546 ( 1.548 -7.794 -5.816) 9.847 11.546 ( 1.548 -7.794 5.816) 9.847 13.257 ( -1.956 -13.634 -6.832) 15.375 13.257 ( -1.956 -13.634 6.832) 15.375 14.591 ( -1.611 -25.527 -0.347) 25.580 14.591 ( -1.611 -25.527 0.347) 25.580 15.608 ( 10.570 -28.563 -6.167) 31.074 15.608 ( 10.570 -28.563 6.167) 31.074 18.368 ( -5.917 32.855 -10.483) 34.991 18.368 ( -5.917 32.855 10.483) 34.991 20.265 ( 3.387 -0.210 -1.541) 3.727 20.265 ( 3.387 -0.210 1.541) 3.727 ======================= Grid point 447 (134/160) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 7.238 12.041 -1.160) 14.097 1.392 ( 7.238 12.041 1.160) 14.097 1.548 ( -0.111 12.485 -3.784) 13.046 1.548 ( -0.111 12.485 3.784) 13.046 1.873 ( 3.499 16.021 -2.019) 16.523 1.873 ( 3.499 16.021 2.019) 16.523 2.337 ( 9.500 1.460 -7.744) 12.343 2.337 ( 9.500 1.460 7.744) 12.343 2.618 ( -1.573 -1.445 -2.442) 3.245 2.618 ( -1.573 -1.445 2.442) 3.245 2.902 ( -8.511 -2.450 -13.064) 15.783 2.902 ( -8.511 -2.450 13.064) 15.783 4.225 ( 7.470 8.307 -4.056) 11.885 4.225 ( 7.470 8.307 4.056) 11.885 4.728 ( -5.530 30.806 -4.304) 31.593 4.728 ( -5.530 30.806 4.304) 31.593 4.982 ( 6.900 43.312 -8.149) 44.609 4.982 ( 6.900 43.312 8.149) 44.609 5.500 ( -14.078 -3.565 -7.168) 16.195 5.500 ( -14.078 -3.565 7.168) 16.195 9.787 ( 0.938 5.652 -1.384) 5.895 9.787 ( 0.938 5.652 1.384) 5.895 10.194 ( -0.045 38.011 -1.604) 38.045 10.194 ( -0.045 38.011 1.604) 38.045 11.583 ( 1.853 -9.736 -3.024) 10.362 11.583 ( 1.853 -9.736 3.024) 10.362 13.221 ( -1.535 -11.046 -4.402) 11.989 13.221 ( -1.535 -11.046 4.402) 11.989 14.573 ( -0.398 -27.058 -0.129) 27.061 14.573 ( -0.398 -27.058 0.129) 27.061 15.773 ( 6.152 -32.594 -3.894) 33.397 15.773 ( 6.152 -32.594 3.894) 33.397 18.271 ( -3.802 32.217 -4.916) 32.811 18.271 ( -3.802 32.217 4.916) 32.811 20.320 ( 2.080 1.312 -1.151) 2.716 20.320 ( 2.080 1.312 1.151) 2.716 ======================= Grid point 449 (135/160) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.000 20.199 0.000) 20.199 1.484 ( 0.000 20.199 0.000) 20.199 1.527 ( -0.000 4.115 -0.000) 4.115 1.527 ( 0.000 4.115 -0.000) 4.115 1.909 ( 0.000 14.880 -0.000) 14.880 1.909 ( 0.000 14.880 0.000) 14.880 2.441 ( 0.000 1.276 -0.000) 1.276 2.441 ( 0.000 1.276 0.000) 1.276 2.647 ( 0.000 -0.072 0.000) 0.072 2.647 ( 0.000 -0.072 0.000) 0.072 2.758 ( -0.000 -3.844 -0.000) 3.844 2.758 ( 0.000 -3.844 0.000) 3.844 4.315 ( -0.000 -0.785 0.000) 0.785 4.315 ( 0.000 -0.785 0.000) 0.785 4.648 ( 0.000 56.158 0.000) 56.158 4.648 ( 0.000 56.158 0.000) 56.158 5.131 ( 0.000 25.231 0.000) 25.231 5.131 ( -0.000 25.231 0.000) 25.231 5.291 ( 0.000 -0.282 -0.000) 0.282 5.291 ( -0.000 -0.282 0.000) 0.282 9.797 ( 0.000 4.572 0.000) 4.572 9.797 ( 0.000 4.572 0.000) 4.572 10.191 ( 0.000 39.164 0.000) 39.164 10.191 ( 0.000 39.164 0.000) 39.164 11.603 ( 0.000 -10.634 0.000) 10.634 11.603 ( 0.000 -10.634 0.000) 10.634 13.206 ( 0.000 -10.015 0.000) 10.015 13.206 ( 0.000 -10.015 0.000) 10.015 14.570 ( 0.000 -27.571 0.000) 27.571 14.570 ( 0.000 -27.571 0.000) 27.571 15.833 ( 0.000 -34.086 0.000) 34.086 15.833 ( 0.000 -34.086 0.000) 34.086 18.233 ( 0.000 32.064 0.000) 32.064 18.233 ( 0.000 32.064 0.000) 32.064 20.340 ( 0.000 1.879 0.000) 1.879 20.340 ( 0.000 1.879 0.000) 1.879 ======================= Grid point 459 (136/160) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 4.697 -0.471) 4.720 1.245 ( 0.000 4.697 0.471) 4.720 1.636 ( 0.000 6.703 -8.641) 10.936 1.636 ( 0.000 6.703 8.641) 10.936 1.886 ( 0.000 18.114 -2.620) 18.302 1.886 ( 0.000 18.114 2.620) 18.302 2.361 ( 0.000 16.157 -1.277) 16.207 2.361 ( 0.000 16.157 1.277) 16.207 2.836 ( 0.000 0.603 -3.239) 3.294 2.836 ( 0.000 0.603 3.239) 3.294 3.005 ( 0.000 2.402 -2.225) 3.274 3.005 ( 0.000 2.402 2.225) 3.274 4.078 ( 0.000 5.220 -4.381) 6.815 4.078 ( 0.000 5.220 4.381) 6.815 4.942 ( 0.000 -5.057 -11.430) 12.498 4.942 ( 0.000 -5.057 11.430) 12.498 5.562 ( 0.000 14.938 -3.900) 15.439 5.562 ( 0.000 14.938 3.900) 15.439 6.742 ( 0.000 59.750 -6.889) 60.146 6.742 ( 0.000 59.750 6.889) 60.146 9.990 ( 0.000 11.784 -4.116) 12.482 9.990 ( 0.000 11.784 4.116) 12.482 10.809 ( 0.000 36.347 -2.182) 36.412 10.809 ( 0.000 36.347 2.182) 36.412 11.412 ( 0.000 -4.656 -6.922) 8.342 11.412 ( 0.000 -4.656 6.922) 8.342 12.924 ( 0.000 -19.071 -8.059) 20.704 12.924 ( 0.000 -19.071 8.059) 20.704 14.210 ( 0.000 -23.144 -3.677) 23.434 14.210 ( 0.000 -23.144 3.677) 23.434 14.848 ( 0.000 -21.237 -2.802) 21.421 14.848 ( 0.000 -21.237 2.802) 21.421 19.103 ( 0.000 22.032 -16.739) 27.669 19.103 ( 0.000 22.032 16.739) 27.669 20.079 ( 0.000 -6.193 -0.288) 6.200 20.079 ( 0.000 -6.193 0.288) 6.200 ======================= Grid point 461 (137/160) ======================= q-point: ( 0.12 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 4.170 6.007 -5.983) 9.448 1.285 ( 4.170 6.007 5.983) 9.448 1.718 ( 7.546 5.062 -7.983) 12.095 1.718 ( 7.546 5.062 7.983) 12.095 1.902 ( 1.948 17.643 -3.449) 18.083 1.902 ( 1.948 17.643 3.449) 18.083 2.358 ( -0.241 15.564 -1.510) 15.638 2.358 ( -0.241 15.564 1.510) 15.638 2.778 ( -4.866 1.092 -2.956) 5.797 2.778 ( -4.866 1.092 2.956) 5.797 3.020 ( 0.351 0.932 -1.108) 1.490 3.020 ( 0.351 0.932 1.108) 1.490 4.098 ( 2.056 3.693 -4.546) 6.207 4.098 ( 2.056 3.693 4.546) 6.207 4.929 ( -1.106 -1.940 -11.447) 11.663 4.929 ( -1.106 -1.940 11.447) 11.663 5.576 ( 0.993 12.962 -3.103) 13.365 5.576 ( 0.993 12.962 3.103) 13.365 6.680 ( -5.890 62.471 -6.367) 63.071 6.680 ( -5.890 62.471 6.367) 63.071 9.974 ( -1.439 11.377 -3.760) 12.068 9.974 ( -1.439 11.377 3.760) 12.068 10.853 ( 3.995 35.940 -3.315) 36.313 10.853 ( 3.995 35.940 3.315) 36.313 11.407 ( -0.452 -4.651 -6.601) 8.088 11.407 ( -0.452 -4.651 6.601) 8.088 12.928 ( 0.406 -18.682 -7.358) 20.083 12.928 ( 0.406 -18.682 7.358) 20.083 14.169 ( -3.635 -22.795 -3.185) 23.302 14.169 ( -3.635 -22.795 3.185) 23.302 14.906 ( 5.329 -23.582 -3.241) 24.393 14.906 ( 5.329 -23.582 3.241) 24.393 19.051 ( -4.878 22.286 -14.242) 26.894 19.051 ( -4.878 22.286 14.242) 26.894 20.123 ( 4.082 -5.794 -1.019) 7.160 20.123 ( 4.082 -5.794 1.019) 7.160 ======================= Grid point 463 (138/160) ======================= q-point: ( 0.25 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 6.969 6.229 -6.777) 11.545 1.397 ( 6.969 6.229 6.777) 11.545 1.843 ( 3.381 10.515 -4.893) 12.080 1.843 ( 3.381 10.515 4.893) 12.080 2.003 ( 9.441 10.709 -2.726) 14.535 2.003 ( 9.441 10.709 2.726) 14.535 2.357 ( 0.402 13.311 -1.999) 13.466 2.357 ( 0.402 13.311 1.999) 13.466 2.680 ( -4.862 1.450 -2.029) 5.465 2.680 ( -4.862 1.450 2.029) 5.465 2.985 ( -4.401 -1.252 -5.949) 7.505 2.985 ( -4.401 -1.252 5.949) 7.505 4.155 ( 3.757 0.538 -4.475) 5.867 4.155 ( 3.757 0.538 4.475) 5.867 4.913 ( -0.243 2.628 -9.919) 10.264 4.913 ( -0.243 2.628 9.919) 10.264 5.576 ( -1.539 10.314 -1.473) 10.531 5.576 ( -1.539 10.314 1.473) 10.531 6.553 ( -6.206 68.613 -4.895) 69.067 6.553 ( -6.206 68.613 4.895) 69.067 9.947 ( -1.112 10.189 -2.785) 10.622 9.947 ( -1.112 10.189 2.785) 10.622 10.931 ( 3.381 35.738 -4.155) 36.137 10.931 ( 3.381 35.738 4.155) 36.137 11.400 ( -0.164 -5.264 -5.357) 7.512 11.400 ( -0.164 -5.264 5.357) 7.512 12.939 ( 0.731 -17.217 -5.514) 18.093 12.939 ( 0.731 -17.217 5.514) 18.093 14.096 ( -3.479 -23.312 -2.098) 23.664 14.096 ( -3.479 -23.312 2.098) 23.664 15.019 ( 5.700 -27.836 -3.185) 28.592 15.019 ( 5.700 -27.836 3.185) 28.592 18.942 ( -5.754 23.097 -9.265) 25.543 18.942 ( -5.754 23.097 9.265) 25.543 20.213 ( 4.741 -5.092 -1.813) 7.189 20.213 ( 4.741 -5.092 1.813) 7.189 ======================= Grid point 465 (139/160) ======================= q-point: ( 0.38 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 5.655 4.074 -4.284) 8.181 1.526 ( 5.655 4.074 4.284) 8.181 1.870 ( 0.326 15.082 -1.369) 15.147 1.870 ( 0.326 15.082 1.369) 15.147 2.186 ( 7.096 12.211 -0.949) 14.155 2.186 ( 7.096 12.211 0.949) 14.155 2.396 ( 4.279 5.938 -4.810) 8.759 2.396 ( 4.279 5.938 4.810) 8.759 2.610 ( -1.692 1.425 -2.586) 3.403 2.610 ( -1.692 1.425 2.586) 3.403 2.853 ( -8.934 -2.103 -11.333) 14.584 2.853 ( -8.934 -2.103 11.333) 14.584 4.229 ( 3.453 -2.323 -3.125) 5.204 4.229 ( 3.453 -2.323 3.125) 5.204 4.923 ( 1.038 2.783 -6.063) 6.752 4.923 ( 1.038 2.783 6.063) 6.752 5.514 ( -4.284 12.938 -1.399) 13.701 5.514 ( -4.284 12.938 1.399) 13.701 6.470 ( -2.423 72.451 -2.604) 72.538 6.470 ( -2.423 72.451 2.604) 72.538 9.933 ( -0.377 8.914 -1.458) 9.040 9.933 ( -0.377 8.914 1.458) 9.040 10.972 ( 1.076 36.114 -2.791) 36.238 10.972 ( 1.076 36.114 2.791) 36.238 11.401 ( 0.271 -6.551 -2.911) 7.174 11.401 ( 0.271 -6.551 2.911) 7.174 12.953 ( 0.609 -15.009 -2.958) 15.310 12.953 ( 0.609 -15.009 2.958) 15.310 14.045 ( -1.810 -24.785 -0.965) 24.869 14.045 ( -1.810 -24.785 0.965) 24.869 15.108 ( 3.278 -31.122 -1.974) 31.356 15.108 ( 3.278 -31.122 1.974) 31.356 18.850 ( -3.543 23.971 -4.387) 24.625 18.850 ( -3.543 23.971 4.387) 24.625 20.289 ( 2.900 -4.531 -1.312) 5.537 20.289 ( 2.900 -4.531 1.312) 5.537 ======================= Grid point 467 (140/160) ======================= q-point: (-0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 2.374 0.000) 2.374 1.585 ( 0.000 2.374 0.000) 2.374 1.871 ( 0.000 16.391 -0.000) 16.391 1.871 ( 0.000 16.391 0.000) 16.391 2.246 ( 0.000 16.753 -0.000) 16.753 2.246 ( 0.000 16.753 0.000) 16.753 2.462 ( 0.000 1.190 -0.000) 1.190 2.462 ( 0.000 1.190 0.000) 1.190 2.668 ( 0.000 2.280 -0.000) 2.280 2.668 ( 0.000 2.280 0.000) 2.280 2.675 ( -0.000 -3.802 -0.000) 3.802 2.675 ( -0.000 -3.802 0.000) 3.802 4.266 ( 0.000 -3.514 0.000) 3.514 4.266 ( 0.000 -3.514 0.000) 3.514 4.937 ( 0.000 0.631 0.000) 0.631 4.937 ( 0.000 0.631 0.000) 0.631 5.461 ( 0.000 17.011 -0.000) 17.011 5.461 ( 0.000 17.011 0.000) 17.011 6.449 ( 0.000 72.930 0.000) 72.930 6.449 ( 0.000 72.930 0.000) 72.930 9.930 ( 0.000 8.376 0.000) 8.376 9.930 ( 0.000 8.376 0.000) 8.376 10.981 ( 0.000 36.323 0.000) 36.323 10.981 ( 0.000 36.323 0.000) 36.323 11.405 ( 0.000 -7.202 -0.000) 7.202 11.405 ( 0.000 -7.202 0.000) 7.202 12.959 ( 0.000 -13.882 0.000) 13.882 12.959 ( 0.000 -13.882 0.000) 13.882 14.027 ( 0.000 -25.571 0.000) 25.571 14.027 ( 0.000 -25.571 0.000) 25.571 15.140 ( 0.000 -32.314 0.000) 32.314 15.140 ( 0.000 -32.314 0.000) 32.314 18.815 ( 0.000 24.327 0.000) 24.327 18.815 ( 0.000 24.327 0.000) 24.327 20.317 ( 0.000 -4.315 -0.000) 4.315 20.317 ( 0.000 -4.315 0.000) 4.315 ======================= Grid point 477 (141/160) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 4.203 -2.991) 5.158 1.337 ( 0.000 4.203 2.991) 5.158 1.753 ( 0.000 4.915 -8.628) 9.930 1.753 ( 0.000 4.915 8.628) 9.930 2.168 ( 0.000 8.645 -3.489) 9.322 2.168 ( 0.000 8.645 3.489) 9.322 2.666 ( 0.000 12.931 -1.279) 12.994 2.666 ( 0.000 12.931 1.279) 12.994 2.878 ( 0.000 4.748 -3.162) 5.704 2.878 ( 0.000 4.748 3.162) 5.704 3.059 ( 0.000 2.723 -0.710) 2.813 3.059 ( 0.000 2.723 0.710) 2.813 4.145 ( 0.000 1.018 -3.722) 3.858 4.145 ( 0.000 1.018 3.722) 3.858 4.777 ( 0.000 -8.034 -10.735) 13.408 4.777 ( 0.000 -8.034 10.735) 13.408 6.014 ( 0.000 29.246 -2.924) 29.392 6.014 ( 0.000 29.246 2.924) 29.392 7.930 ( 0.000 51.691 -6.187) 52.059 7.930 ( 0.000 51.691 6.187) 52.059 10.218 ( 0.000 8.159 -3.390) 8.835 10.218 ( 0.000 8.159 3.390) 8.835 11.407 ( 0.000 12.994 -4.148) 13.640 11.407 ( 0.000 12.994 4.148) 13.640 11.508 ( 0.000 25.752 -3.579) 26.000 11.508 ( 0.000 25.752 3.579) 26.000 12.521 ( 0.000 -20.585 -9.446) 22.649 12.521 ( 0.000 -20.585 9.446) 22.649 13.721 ( 0.000 -24.703 -3.796) 24.993 13.721 ( 0.000 -24.703 3.796) 24.993 14.465 ( 0.000 -15.833 -0.778) 15.852 14.465 ( 0.000 -15.833 0.778) 15.852 19.435 ( 0.000 11.088 -12.056) 16.380 19.435 ( 0.000 11.088 12.056) 16.380 19.924 ( 0.000 -8.747 -0.405) 8.756 19.924 ( 0.000 -8.747 0.405) 8.756 ======================= Grid point 479 (142/160) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 4.967 4.297 -4.664) 8.055 1.389 ( 4.967 4.297 4.664) 8.055 1.808 ( 5.601 3.851 -8.049) 10.535 1.808 ( 5.601 3.851 8.049) 10.535 2.175 ( 0.702 8.171 -3.680) 8.989 2.175 ( 0.702 8.171 3.680) 8.989 2.653 ( -1.283 12.482 -1.445) 12.630 2.653 ( -1.283 12.482 1.445) 12.630 2.845 ( -3.010 6.273 -2.711) 7.468 2.845 ( -3.010 6.273 2.711) 7.468 3.043 ( -2.088 1.398 -1.669) 3.017 3.043 ( -2.088 1.398 1.669) 3.017 4.141 ( -0.056 0.602 -3.504) 3.555 4.141 ( -0.056 0.602 3.504) 3.555 4.811 ( 3.101 -6.943 -9.721) 12.342 4.811 ( 3.101 -6.943 9.721) 12.342 6.007 ( -0.771 28.939 -2.380) 29.047 6.007 ( -0.771 28.939 2.380) 29.047 7.897 ( -3.135 52.139 -5.574) 52.530 7.897 ( -3.135 52.139 5.574) 52.530 10.195 ( -2.123 8.115 -3.110) 8.946 10.195 ( -2.123 8.115 3.110) 8.946 11.415 ( 0.457 11.767 -4.165) 12.491 11.415 ( 0.457 11.767 4.165) 12.491 11.528 ( 2.019 26.060 -4.143) 26.464 11.528 ( 2.019 26.060 4.143) 26.464 12.532 ( 1.232 -20.042 -8.343) 21.744 12.532 ( 1.232 -20.042 8.343) 21.744 13.693 ( -2.690 -23.914 -3.598) 24.332 13.693 ( -2.690 -23.914 3.598) 24.332 14.484 ( 1.780 -17.253 -0.825) 17.364 14.484 ( 1.780 -17.253 0.825) 17.364 19.392 ( -3.970 11.572 -10.009) 15.806 19.392 ( -3.970 11.572 10.009) 15.806 19.971 ( 4.296 -8.803 -0.908) 9.838 19.971 ( 4.296 -8.803 0.908) 9.838 ======================= Grid point 481 (143/160) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 6.017 4.191 -5.285) 9.039 1.501 ( 6.017 4.191 5.285) 9.039 1.952 ( 8.436 2.310 -6.850) 11.110 1.952 ( 8.436 2.310 6.850) 11.110 2.201 ( 2.484 6.307 -4.473) 8.122 2.201 ( 2.484 6.307 4.473) 8.122 2.626 ( -1.261 11.871 -1.814) 12.075 2.626 ( -1.261 11.871 1.814) 12.075 2.778 ( -3.716 8.335 -1.887) 9.319 2.778 ( -3.716 8.335 1.887) 9.319 2.966 ( -5.876 -0.159 -5.635) 8.143 2.966 ( -5.876 -0.159 5.635) 8.143 4.154 ( 1.459 -0.152 -3.002) 3.341 4.154 ( 1.459 -0.152 3.002) 3.341 4.871 ( 2.654 -4.957 -7.385) 9.282 4.871 ( 2.654 -4.957 7.385) 9.282 5.986 ( -1.291 28.670 -1.167) 28.723 5.986 ( -1.291 28.670 1.167) 28.723 7.828 ( -3.614 52.730 -4.000) 53.005 7.828 ( -3.614 52.730 4.000) 53.005 10.150 ( -2.225 7.850 -2.318) 8.482 10.150 ( -2.225 7.850 2.318) 8.482 11.418 ( -0.094 11.225 -3.180) 11.668 11.418 ( -0.094 11.225 3.180) 11.668 11.569 ( 1.739 24.327 -4.409) 24.785 11.569 ( 1.739 24.327 4.409) 24.785 12.572 ( 2.869 -18.153 -5.625) 19.219 12.572 ( 2.869 -18.153 5.625) 19.219 13.628 ( -3.775 -22.820 -2.961) 23.319 13.628 ( -3.775 -22.820 2.961) 23.319 14.523 ( 2.098 -20.016 -0.793) 20.141 14.523 ( 2.098 -20.016 0.793) 20.141 19.307 ( -4.359 12.941 -6.452) 15.104 19.307 ( -4.359 12.941 6.452) 15.104 20.064 ( 4.843 -9.179 -1.605) 10.502 20.064 ( 4.843 -9.179 1.605) 10.502 ======================= Grid point 483 (144/160) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 3.882 3.471 -3.353) 6.194 1.600 ( 3.882 3.471 3.353) 6.194 2.069 ( 2.820 3.822 -3.347) 5.811 2.069 ( 2.820 3.822 3.347) 5.811 2.310 ( 9.280 2.213 -5.648) 11.087 2.310 ( 9.280 2.213 5.648) 11.087 2.607 ( -1.354 11.035 -1.699) 11.247 2.607 ( -1.354 11.035 1.699) 11.247 2.705 ( -3.674 7.675 -2.128) 8.771 2.705 ( -3.674 7.675 2.128) 8.771 2.834 ( -6.941 1.642 -8.199) 10.867 2.834 ( -6.941 1.642 8.199) 10.867 4.188 ( 1.710 -1.090 -1.995) 2.845 4.188 ( 1.710 -1.090 1.995) 2.845 4.905 ( 0.869 -3.453 -4.135) 5.457 4.905 ( 0.869 -3.453 4.135) 5.457 5.961 ( -1.118 29.253 -0.233) 29.275 5.961 ( -1.118 29.253 0.233) 29.275 7.773 ( -1.922 52.581 -2.016) 52.655 7.773 ( -1.922 52.581 2.016) 52.655 10.116 ( -1.190 7.468 -1.212) 7.659 10.116 ( -1.190 7.468 1.212) 7.659 11.414 ( -0.186 11.192 -1.665) 11.316 11.414 ( -0.186 11.192 1.665) 11.316 11.587 ( 0.268 21.997 -2.989) 22.201 11.587 ( 0.268 21.997 2.989) 22.201 12.632 ( 2.876 -15.457 -2.650) 15.944 12.632 ( 2.876 -15.457 2.650) 15.944 13.561 ( -2.833 -22.707 -1.756) 22.951 13.561 ( -2.833 -22.707 1.756) 22.951 14.557 ( 1.262 -22.138 -0.498) 22.180 14.557 ( 1.262 -22.138 0.498) 22.180 19.238 ( -2.618 14.250 -3.095) 14.816 19.238 ( -2.618 14.250 3.095) 14.816 20.141 ( 2.974 -9.544 -1.125) 10.060 20.141 ( 2.974 -9.544 1.125) 10.060 ======================= Grid point 485 (145/160) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 3.004 0.000) 3.004 1.639 ( 0.000 3.004 0.000) 3.004 2.089 ( 0.000 4.341 -0.000) 4.341 2.089 ( 0.000 4.341 0.000) 4.341 2.502 ( 0.000 3.646 -0.000) 3.646 2.502 ( -0.000 3.646 0.000) 3.646 2.509 ( -0.000 2.780 -0.000) 2.780 2.509 ( 0.000 2.780 0.000) 2.780 2.673 ( 0.000 7.984 -0.000) 7.984 2.673 ( 0.000 7.984 0.000) 7.984 2.755 ( -0.000 7.020 -0.000) 7.020 2.755 ( -0.000 7.020 0.000) 7.020 4.207 ( 0.000 -1.616 0.000) 1.616 4.207 ( 0.000 -1.616 0.000) 1.616 4.912 ( 0.000 -2.904 0.000) 2.904 4.912 ( 0.000 -2.904 0.000) 2.904 5.950 ( 0.000 29.791 -0.000) 29.791 5.950 ( 0.000 29.791 0.000) 29.791 7.755 ( 0.000 52.294 0.000) 52.294 7.755 ( 0.000 52.294 0.000) 52.294 10.105 ( 0.000 7.291 0.000) 7.291 10.105 ( 0.000 7.291 0.000) 7.291 11.412 ( 0.000 11.169 -0.000) 11.169 11.412 ( 0.000 11.169 0.000) 11.169 11.588 ( 0.000 21.053 -0.000) 21.053 11.588 ( 0.000 21.053 0.000) 21.053 12.663 ( 0.000 -14.101 0.000) 14.101 12.663 ( 0.000 -14.101 0.000) 14.101 13.532 ( 0.000 -22.963 0.000) 22.963 13.532 ( 0.000 -22.963 0.000) 22.963 14.569 ( 0.000 -22.882 0.000) 22.882 14.569 ( 0.000 -22.882 0.000) 22.882 19.212 ( 0.000 14.756 0.000) 14.756 19.212 ( 0.000 14.756 0.000) 14.756 20.171 ( 0.000 -9.672 -0.000) 9.672 20.171 ( 0.000 -9.672 0.000) 9.672 ======================= Grid point 495 (146/160) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 3.301 -2.609) 4.207 1.414 ( 0.000 3.301 2.609) 4.207 1.843 ( 0.000 4.128 -7.655) 8.697 1.843 ( 0.000 4.128 7.655) 8.697 2.233 ( 0.000 -1.280 -3.379) 3.613 2.233 ( 0.000 -1.280 3.379) 3.613 2.880 ( 0.000 8.618 -1.673) 8.779 2.880 ( 0.000 8.618 1.673) 8.779 3.011 ( 0.000 5.600 -2.170) 6.006 3.011 ( 0.000 5.600 2.170) 6.006 3.130 ( 0.000 5.146 -0.378) 5.160 3.130 ( 0.000 5.146 0.378) 5.160 4.118 ( 0.000 -3.198 -3.486) 4.731 4.118 ( 0.000 -3.198 3.486) 4.731 4.666 ( 0.000 -2.831 -6.874) 7.434 4.666 ( 0.000 -2.831 6.874) 7.434 6.712 ( 0.000 37.993 -1.078) 38.008 6.712 ( 0.000 37.993 1.078) 38.008 8.721 ( 0.000 23.139 -5.278) 23.733 8.721 ( 0.000 23.139 5.278) 23.733 10.295 ( 0.000 2.811 -1.852) 3.366 10.295 ( 0.000 2.811 1.852) 3.366 11.829 ( 0.000 25.141 -2.222) 25.239 11.829 ( 0.000 25.141 2.223) 25.239 11.971 ( 0.000 6.748 -1.308) 6.874 11.971 ( 0.000 6.748 1.308) 6.874 12.127 ( 0.000 -3.760 -10.961) 11.588 12.127 ( 0.000 -3.760 10.961) 11.588 13.229 ( 0.000 -22.695 -2.865) 22.875 13.229 ( 0.000 -22.695 2.865) 22.875 14.192 ( 0.000 -12.097 -0.149) 12.098 14.192 ( 0.000 -12.097 0.149) 12.098 19.574 ( 0.000 2.882 -7.570) 8.100 19.574 ( 0.000 2.882 7.570) 8.100 19.744 ( 0.000 -8.088 -0.364) 8.096 19.744 ( 0.000 -8.088 0.364) 8.096 ======================= Grid point 497 (147/160) ======================= q-point: ( 0.12 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 4.872 3.157 -3.090) 6.577 1.465 ( 4.872 3.157 3.090) 6.577 1.879 ( 3.702 3.271 -7.414) 8.909 1.879 ( 3.702 3.271 7.414) 8.909 2.235 ( 0.189 -1.196 -3.557) 3.758 2.235 ( 0.189 -1.196 3.557) 3.758 2.867 ( -1.244 8.969 -1.956) 9.264 2.867 ( -1.244 8.969 1.956) 9.264 2.985 ( -2.651 4.435 -1.941) 5.519 2.985 ( -2.651 4.435 1.941) 5.519 3.103 ( -2.611 5.800 -1.453) 6.524 3.103 ( -2.611 5.800 1.453) 6.524 4.127 ( 1.103 -1.637 -3.515) 4.031 4.127 ( 1.103 -1.637 3.515) 4.031 4.698 ( 2.943 -3.932 -6.336) 8.016 4.698 ( 2.943 -3.932 6.336) 8.016 6.699 ( -1.250 37.672 -1.003) 37.706 6.699 ( -1.250 37.672 1.003) 37.706 8.684 ( -3.608 22.490 -4.646) 23.246 8.684 ( -3.608 22.490 4.646) 23.246 10.282 ( -1.248 3.672 -1.624) 4.204 10.282 ( -1.248 3.672 1.624) 4.204 11.832 ( -0.117 18.470 -2.419) 18.628 11.832 ( -0.117 18.470 2.419) 18.628 11.939 ( -2.270 11.854 -0.858) 12.099 11.939 ( -2.269 11.854 0.858) 12.099 12.184 ( 5.105 -2.821 -7.545) 9.536 12.184 ( 5.105 -2.821 7.545) 9.536 13.215 ( -1.403 -22.143 -2.850) 22.369 13.215 ( -1.403 -22.143 2.850) 22.369 14.194 ( 0.211 -12.388 -0.154) 12.390 14.194 ( 0.211 -12.388 0.154) 12.390 19.541 ( -2.790 3.472 -5.784) 7.301 19.541 ( -2.790 3.472 5.784) 7.301 19.786 ( 3.644 -8.563 -0.820) 9.342 19.786 ( 3.644 -8.563 0.820) 9.342 ======================= Grid point 499 (148/160) ======================= q-point: ( 0.25 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 6.024 3.289 -3.089) 7.526 1.576 ( 6.024 3.289 3.089) 7.526 1.978 ( 6.071 0.628 -6.516) 8.928 1.978 ( 6.071 0.628 6.516) 8.928 2.247 ( 1.481 -0.722 -4.324) 4.627 2.247 ( 1.481 -0.722 4.324) 4.627 2.827 ( -3.622 6.354 -1.166) 7.406 2.827 ( -3.622 6.354 1.166) 7.406 2.919 ( -3.341 4.604 -0.627) 5.723 2.919 ( -3.341 4.604 0.627) 5.723 3.041 ( -3.550 8.145 -2.163) 9.144 3.041 ( -3.550 8.145 2.163) 9.144 4.160 ( 2.132 0.876 -3.170) 3.919 4.160 ( 2.132 0.876 3.170) 3.919 4.760 ( 3.077 -5.532 -4.956) 8.040 4.760 ( 3.077 -5.532 4.956) 8.040 6.669 ( -1.690 36.904 -0.757) 36.951 6.669 ( -1.690 36.904 0.757) 36.951 8.598 ( -4.789 20.826 -3.126) 21.597 8.598 ( -4.789 20.826 3.126) 21.597 10.255 ( -1.373 5.395 -1.087) 5.673 10.255 ( -1.373 5.395 1.087) 5.673 11.807 ( -2.396 0.040 -4.166) 4.806 11.807 ( -2.396 0.040 4.166) 4.806 11.914 ( -0.313 29.011 -1.548) 29.054 11.914 ( -0.313 29.011 1.548) 29.054 12.300 ( 6.514 -2.758 -4.250) 8.252 12.300 ( 6.514 -2.758 4.250) 8.252 13.177 ( -2.524 -20.838 -2.618) 21.153 13.177 ( -2.524 -20.838 2.618) 21.153 14.199 ( 0.299 -13.051 -0.143) 13.055 14.199 ( 0.299 -13.051 0.143) 13.055 19.486 ( -2.673 5.094 -3.635) 6.806 19.486 ( -2.673 5.094 3.635) 6.806 19.862 ( 3.878 -9.906 -1.314) 10.719 19.862 ( 3.878 -9.906 1.314) 10.719 ======================= Grid point 501 (149/160) ======================= q-point: ( 0.38 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 3.740 3.820 -1.836) 5.652 1.674 ( 3.740 3.820 1.836) 5.652 2.071 ( 2.688 -2.239 -3.565) 4.995 2.071 ( 2.688 -2.239 3.565) 4.995 2.325 ( 7.323 -0.335 -5.434) 9.125 2.325 ( 7.323 -0.335 5.434) 9.125 2.702 ( -8.876 -0.334 -3.943) 9.718 2.702 ( -8.876 -0.334 3.943) 9.718 2.891 ( 0.216 9.956 -1.516) 10.073 2.891 ( 0.216 9.956 1.516) 10.073 2.977 ( -2.900 9.642 -2.270) 10.321 2.977 ( -2.900 9.642 2.270) 10.321 4.199 ( 1.681 2.333 -2.040) 3.526 4.199 ( 1.681 2.333 2.040) 3.526 4.805 ( 1.551 -6.100 -2.829) 6.901 4.805 ( 1.551 -6.100 2.829) 6.901 6.641 ( -1.133 36.161 -0.386) 36.181 6.641 ( -1.133 36.161 0.386) 36.181 8.518 ( -3.146 18.977 -1.453) 19.291 8.518 ( -3.146 18.977 1.453) 19.291 10.234 ( -0.763 6.736 -0.509) 6.798 10.234 ( -0.763 6.736 0.509) 6.798 11.761 ( -1.996 -6.100 -2.931) 7.056 11.761 ( -1.996 -6.100 2.931) 7.056 11.913 ( 0.062 34.893 -0.944) 34.906 11.913 ( 0.062 34.893 0.944) 34.906 12.415 ( 4.881 -3.374 -2.067) 6.283 12.415 ( 4.881 -3.374 2.067) 6.283 13.126 ( -2.385 -19.575 -1.748) 19.798 13.126 ( -2.385 -19.575 1.748) 19.798 14.204 ( 0.211 -13.662 -0.090) 13.664 14.204 ( 0.211 -13.662 0.090) 13.664 19.444 ( -1.553 6.497 -1.765) 6.910 19.444 ( -1.553 6.497 1.765) 6.910 19.924 ( 2.403 -11.027 -0.858) 11.318 19.924 ( 2.403 -11.027 0.858) 11.318 ======================= Grid point 503 (150/160) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.000 4.072 0.000) 4.072 1.711 ( 0.000 4.072 0.000) 4.072 2.091 ( 0.000 -2.713 -0.000) 2.713 2.091 ( 0.000 -2.713 0.000) 2.713 2.484 ( 0.000 -1.852 -0.000) 1.852 2.484 ( 0.000 -1.852 0.000) 1.852 2.533 ( -0.000 -0.454 -0.000) 0.454 2.533 ( 0.000 -0.454 0.000) 0.454 2.904 ( -0.000 11.063 -0.000) 11.063 2.904 ( -0.000 11.063 0.000) 11.063 2.941 ( 0.000 9.697 -0.000) 9.697 2.941 ( 0.000 9.697 0.000) 9.697 4.216 ( 0.000 2.745 0.000) 2.745 4.216 ( 0.000 2.745 0.000) 2.745 4.820 ( 0.000 -6.098 0.000) 6.098 4.820 ( 0.000 -6.098 0.000) 6.098 6.629 ( 0.000 35.868 -0.000) 35.868 6.629 ( 0.000 35.868 0.000) 35.868 8.487 ( 0.000 18.142 0.000) 18.142 8.487 ( 0.000 18.142 0.000) 18.142 10.227 ( 0.000 7.203 0.000) 7.203 10.227 ( 0.000 7.203 0.000) 7.203 11.740 ( 0.000 -7.061 -0.000) 7.061 11.740 ( 0.000 -7.061 0.000) 7.061 11.914 ( 0.000 35.916 0.000) 35.916 11.914 ( 0.000 35.916 0.000) 35.916 12.466 ( 0.000 -3.708 0.000) 3.708 12.466 ( 0.000 -3.708 0.000) 3.708 13.100 ( 0.000 -19.076 0.000) 19.076 13.100 ( 0.000 -19.076 0.000) 19.076 14.206 ( 0.000 -13.900 0.000) 13.900 14.206 ( 0.000 -13.900 0.000) 13.900 19.429 ( 0.000 7.024 0.000) 7.024 19.429 ( 0.000 7.024 0.000) 7.024 19.948 ( 0.000 -11.435 -0.000) 11.435 19.948 ( 0.000 -11.435 0.000) 11.435 ======================= Grid point 513 (151/160) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 1.847 -1.313) 2.266 1.467 ( 0.000 1.847 1.313) 2.266 1.927 ( 0.000 4.163 -5.956) 7.266 1.927 ( 0.000 4.163 5.956) 7.266 2.164 ( 0.000 -4.530 -3.410) 5.670 2.164 ( 0.000 -4.530 3.410) 5.670 3.022 ( 0.000 5.049 -0.145) 5.052 3.022 ( 0.000 5.049 0.145) 5.052 3.068 ( 0.000 1.121 -0.795) 1.374 3.068 ( 0.000 1.121 0.795) 1.374 3.251 ( 0.000 5.105 -0.355) 5.117 3.251 ( 0.000 5.105 0.355) 5.117 4.047 ( 0.000 -3.031 -2.378) 3.852 4.047 ( 0.000 -3.031 2.378) 3.852 4.640 ( 0.000 -0.289 -3.051) 3.065 4.640 ( 0.000 -0.289 3.051) 3.065 7.513 ( 0.000 39.452 -0.069) 39.452 7.513 ( 0.000 39.452 0.069) 39.452 8.794 ( 0.000 -14.582 -2.457) 14.788 8.794 ( 0.000 -14.582 2.457) 14.788 10.509 ( 0.000 19.166 -2.584) 19.339 10.509 ( 0.000 19.166 2.584) 19.339 11.542 ( 0.000 -26.152 -7.323) 27.158 11.542 ( 0.000 -26.152 7.323) 27.158 12.203 ( 0.000 11.749 -2.888) 12.099 12.203 ( 0.000 11.749 2.888) 12.099 12.702 ( 0.000 27.997 -1.030) 28.016 12.702 ( 0.000 27.997 1.030) 28.016 12.845 ( 0.000 -7.370 -2.710) 7.852 12.845 ( 0.000 -7.370 2.710) 7.852 13.909 ( 0.000 -17.244 -0.466) 17.250 13.909 ( 0.000 -17.244 0.466) 17.250 19.555 ( 0.000 -3.644 -2.486) 4.411 19.555 ( 0.000 -3.644 2.486) 4.411 19.644 ( 0.000 -1.651 -1.401) 2.166 19.644 ( 0.000 -1.651 1.401) 2.166 ======================= Grid point 515 (152/160) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 4.790 1.790 -1.424) 5.309 1.516 ( 4.790 1.790 1.424) 5.309 1.946 ( 1.808 3.272 -5.817) 6.915 1.946 ( 1.808 3.272 5.817) 6.915 2.173 ( 1.023 -3.903 -3.450) 5.309 2.173 ( 1.023 -3.903 3.450) 5.309 2.998 ( -4.388 2.461 -1.173) 5.166 2.998 ( -4.388 2.461 1.173) 5.166 3.039 ( -0.847 3.317 -1.959) 3.944 3.039 ( -0.847 3.317 1.959) 3.944 3.235 ( -1.634 5.263 -0.494) 5.533 3.235 ( -1.634 5.263 0.494) 5.533 4.090 ( 4.217 -1.602 -2.490) 5.152 4.090 ( 4.217 -1.602 2.490) 5.152 4.646 ( 0.554 -1.400 -3.014) 3.369 4.646 ( 0.554 -1.400 3.014) 3.369 7.491 ( -2.130 38.911 -0.081) 38.969 7.491 ( -2.130 38.911 0.081) 38.969 8.751 ( -4.273 -14.360 -2.083) 15.127 8.751 ( -4.273 -14.360 2.083) 15.127 10.506 ( -0.274 19.137 -2.406) 19.290 10.506 ( -0.274 19.137 2.406) 19.290 11.520 ( -2.099 -25.182 -6.785) 26.164 11.520 ( -2.099 -25.182 6.785) 26.164 12.242 ( 3.748 10.307 -2.667) 11.287 12.242 ( 3.748 10.307 2.667) 11.287 12.702 ( 0.060 27.636 -0.954) 27.652 12.702 ( 0.060 27.636 0.954) 27.652 12.841 ( -0.430 -6.467 -2.655) 7.004 12.841 ( -0.430 -6.467 2.655) 7.004 13.910 ( 0.151 -17.149 -0.434) 17.155 13.910 ( 0.151 -17.149 0.434) 17.155 19.550 ( -0.477 -1.918 -2.296) 3.029 19.550 ( -0.477 -1.918 2.296) 3.029 19.658 ( 1.377 -3.413 -1.519) 3.981 19.658 ( 1.377 -3.413 1.519) 3.981 ======================= Grid point 517 (153/160) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 6.822 2.162 -1.300) 7.273 1.633 ( 6.822 2.162 1.300) 7.273 1.986 ( 2.049 0.337 -4.903) 5.325 1.986 ( 2.049 0.337 4.903) 5.325 2.211 ( 3.253 -2.048 -3.382) 5.120 2.211 ( 3.253 -2.048 3.382) 5.120 2.864 ( -8.684 -0.188 -1.176) 8.765 2.864 ( -8.684 -0.188 1.176) 8.765 3.042 ( 0.601 5.380 -0.693) 5.457 3.042 ( 0.601 5.380 0.693) 5.457 3.192 ( -2.621 5.529 -0.702) 6.159 3.192 ( -2.621 5.529 0.702) 6.159 4.189 ( 5.443 1.682 -2.627) 6.274 4.189 ( 5.443 1.682 2.627) 6.274 4.658 ( 0.585 -4.129 -2.890) 5.074 4.658 ( 0.585 -4.129 2.890) 5.074 7.439 ( -2.939 37.609 -0.305) 37.725 7.439 ( -2.939 37.609 0.305) 37.725 8.648 ( -5.844 -13.942 -1.244) 15.169 8.648 ( -5.844 -13.942 1.244) 15.169 10.500 ( -0.364 19.014 -1.867) 19.109 10.500 ( -0.364 19.014 1.867) 19.109 11.472 ( -2.625 -23.446 -5.238) 24.167 11.472 ( -2.625 -23.446 5.238) 24.167 12.332 ( 5.180 7.223 -2.122) 9.138 12.332 ( 5.180 7.223 2.122) 9.138 12.704 ( 0.106 26.978 -0.722) 26.987 12.704 ( 0.106 26.978 0.722) 26.987 12.826 ( -1.115 -4.168 -2.380) 4.928 12.826 ( -1.115 -4.168 2.380) 4.928 13.914 ( 0.195 -16.948 -0.340) 16.953 13.914 ( 0.195 -16.948 0.340) 16.953 19.539 ( -0.573 0.816 -1.699) 1.970 19.539 ( -0.573 0.816 1.699) 1.970 19.691 ( 1.857 -6.222 -1.296) 6.621 19.691 ( 1.857 -6.222 1.296) 6.621 ======================= Grid point 519 (154/160) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 4.947 3.665 -0.623) 6.188 1.752 ( 4.947 3.665 0.623) 6.188 2.011 ( 0.390 -3.198 -2.577) 4.126 2.011 ( 0.390 -3.198 2.577) 4.126 2.312 ( 7.276 -0.691 -3.181) 7.971 2.312 ( 7.276 -0.691 3.181) 7.971 2.681 ( -10.094 -1.122 -2.599) 10.483 2.681 ( -10.094 -1.122 2.599) 10.483 3.059 ( 1.239 5.943 -0.766) 6.119 3.059 ( 1.239 5.943 0.766) 6.119 3.140 ( -2.636 5.694 -0.859) 6.333 3.140 ( -2.636 5.694 0.859) 6.333 4.280 ( 3.666 5.221 -2.029) 6.694 4.280 ( 3.666 5.221 2.029) 6.694 4.666 ( 0.238 -7.131 -2.116) 7.442 4.666 ( 0.238 -7.131 2.116) 7.442 7.389 ( -2.011 36.320 -0.294) 36.377 7.389 ( -2.011 36.320 0.294) 36.377 8.548 ( -4.019 -13.703 -0.477) 14.288 8.548 ( -4.019 -13.703 0.477) 14.288 10.494 ( -0.240 18.832 -1.018) 18.861 10.494 ( -0.240 18.832 1.018) 18.861 11.429 ( -1.697 -22.157 -2.862) 22.405 11.429 ( -1.697 -22.157 2.862) 22.405 12.423 ( 3.917 3.948 -1.310) 5.714 12.423 ( 3.917 3.948 1.310) 5.714 12.706 ( 0.067 26.475 -0.366) 26.478 12.706 ( 0.067 26.475 0.366) 26.478 12.801 ( -1.361 -1.239 -1.605) 2.442 12.801 ( -1.361 -1.239 1.605) 2.442 13.917 ( 0.126 -16.788 -0.188) 16.789 13.917 ( 0.126 -16.788 0.188) 16.789 19.530 ( -0.369 2.695 -0.882) 2.860 19.530 ( -0.369 2.695 0.882) 2.860 19.722 ( 1.285 -8.162 -0.720) 8.294 19.722 ( 1.285 -8.162 0.720) 8.294 ======================= Grid point 521 (155/160) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.000 4.944 0.000) 4.944 1.803 ( 0.000 4.944 0.000) 4.944 2.011 ( -0.000 -4.716 -0.000) 4.716 2.011 ( 0.000 -4.716 0.000) 4.716 2.461 ( 0.000 -0.311 0.000) 0.311 2.461 ( 0.000 -0.311 0.000) 0.311 2.506 ( -0.000 -1.819 -0.000) 1.819 2.506 ( 0.000 -1.819 0.000) 1.819 3.084 ( -0.000 6.313 -0.000) 6.313 3.084 ( -0.000 6.313 0.000) 6.313 3.102 ( 0.000 5.514 -0.000) 5.514 3.102 ( 0.000 5.514 0.000) 5.514 4.317 ( 0.000 6.918 0.000) 6.918 4.317 ( 0.000 6.918 0.000) 6.918 4.668 ( 0.000 -8.566 0.000) 8.566 4.668 ( 0.000 -8.566 0.000) 8.566 7.369 ( 0.000 35.791 -0.000) 35.791 7.369 ( 0.000 35.791 0.000) 35.791 8.508 ( 0.000 -13.662 0.000) 13.662 8.508 ( 0.000 -13.662 0.000) 13.662 10.491 ( 0.000 18.743 0.000) 18.743 10.491 ( 0.000 18.743 0.000) 18.743 11.412 ( 0.000 -21.694 0.000) 21.694 11.412 ( 0.000 -21.694 0.000) 21.694 12.465 ( 0.000 2.215 0.000) 2.215 12.465 ( 0.000 2.215 0.000) 2.215 12.706 ( 0.000 26.213 0.000) 26.213 12.706 ( 0.000 26.213 0.000) 26.213 12.785 ( 0.000 0.514 0.000) 0.514 12.785 ( 0.000 0.514 0.000) 0.514 13.918 ( 0.000 -16.733 0.000) 16.733 13.918 ( 0.000 -16.733 0.000) 16.733 19.526 ( 0.000 3.350 0.000) 3.350 19.526 ( 0.000 3.350 0.000) 3.350 19.735 ( 0.000 -8.838 -0.000) 8.838 19.735 ( 0.000 -8.838 0.000) 8.838 ======================= Grid point 531 (156/160) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 -0.000 -0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 -0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 -0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 -0.000) 0.000 3.079 ( 0.000 -0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 -0.000 0.000) 0.000 8.239 ( 0.000 -0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 -0.000) 0.000 10.996 ( 0.000 -26.630 -5.938) 27.284 10.996 ( 0.000 -26.630 5.938) 27.284 10.997 ( 0.000 26.630 -5.938) 27.284 10.997 ( 0.000 26.630 5.938) 27.284 12.356 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.606 ( 0.000 -0.000 0.000) 0.000 12.606 ( 0.000 -0.000 0.000) 0.000 13.358 ( 0.000 -0.000 0.000) 0.000 13.358 ( 0.000 0.000 0.000) 0.000 13.505 ( 0.000 -0.000 0.000) 0.000 13.505 ( 0.000 0.000 0.000) 0.000 19.511 ( 0.000 0.000 0.000) 0.000 19.511 ( 0.000 0.000 0.000) 0.000 19.629 ( 0.000 0.000 0.000) 0.000 19.629 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 535 (157/160) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 4.800 0.000 0.000) 4.800 1.534 ( 4.800 0.000 0.000) 4.800 1.992 ( 0.166 -0.000 -0.000) 0.166 1.992 ( 0.166 0.000 0.000) 0.166 2.118 ( 2.363 -0.000 0.000) 2.363 2.118 ( 2.363 0.000 0.000) 2.363 3.012 ( -6.081 0.000 -0.000) 6.081 3.012 ( -6.081 0.000 0.000) 6.081 3.085 ( 0.533 0.000 -0.000) 0.533 3.085 ( 0.533 0.000 0.000) 0.533 3.290 ( -1.539 0.000 0.000) 1.539 3.290 ( -1.539 0.000 0.000) 1.539 4.073 ( 5.734 0.000 0.000) 5.734 4.073 ( 5.734 0.000 0.000) 5.734 4.633 ( -0.669 0.000 0.000) 0.669 4.633 ( -0.669 0.000 0.000) 0.669 8.203 ( -3.481 -0.000 0.000) 3.481 8.203 ( -3.481 -0.000 0.000) 3.481 8.272 ( -3.137 0.000 0.000) 3.137 8.272 ( -3.137 0.000 -0.000) 3.137 10.986 ( -1.060 -0.000 -0.000) 1.060 10.986 ( -1.060 0.001 -0.000) 1.060 10.989 ( -0.730 -0.001 0.000) 0.730 10.989 ( -0.730 0.000 0.000) 0.730 12.380 ( 2.386 -0.000 0.000) 2.386 12.380 ( 2.386 0.000 0.000) 2.386 12.606 ( -0.091 -0.000 -0.000) 0.091 12.606 ( -0.091 0.000 0.000) 0.091 13.366 ( 0.812 -0.000 0.000) 0.812 13.366 ( 0.812 0.000 0.000) 0.812 13.504 ( -0.123 -0.000 0.000) 0.123 13.504 ( -0.123 0.000 0.000) 0.123 19.519 ( 0.900 0.000 0.000) 0.900 19.519 ( 0.900 0.000 0.000) 0.900 19.629 ( -0.055 0.000 0.000) 0.055 19.629 ( -0.055 0.000 0.000) 0.055 ======================= Grid point 539 (158/160) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 7.432 0.000 0.000) 7.432 1.657 ( 7.432 0.000 0.000) 7.432 1.991 ( -0.450 -0.000 -0.000) 0.450 1.991 ( -0.450 0.000 0.000) 0.450 2.186 ( 4.772 -0.000 0.000) 4.772 2.186 ( 4.772 0.000 0.000) 4.772 2.860 ( -9.298 0.000 0.000) 9.298 2.860 ( -9.298 0.000 0.000) 9.298 3.099 ( 0.951 0.000 0.000) 0.951 3.099 ( 0.951 0.000 0.000) 0.951 3.250 ( -2.527 0.000 0.000) 2.527 3.250 ( -2.527 0.000 0.000) 2.527 4.210 ( 7.990 0.000 0.000) 7.990 4.210 ( 7.990 0.000 0.000) 7.990 4.611 ( -1.652 0.000 0.000) 1.652 4.611 ( -1.652 0.000 0.000) 1.652 8.122 ( -4.377 -0.000 0.000) 4.377 8.122 ( -4.377 -0.000 0.000) 4.377 8.192 ( -4.834 0.000 0.000) 4.834 8.192 ( -4.834 0.000 0.000) 4.834 10.961 ( -1.293 -0.000 -0.000) 1.293 10.961 ( -1.293 0.000 -0.000) 1.293 10.971 ( -1.115 -0.000 0.000) 1.115 10.971 ( -1.115 0.000 0.000) 1.115 12.438 ( 3.441 -0.000 0.000) 3.441 12.438 ( 3.441 0.000 0.000) 3.441 12.601 ( -0.452 -0.000 -0.000) 0.452 12.601 ( -0.452 0.000 0.000) 0.452 13.388 ( 1.463 -0.000 0.000) 1.463 13.388 ( 1.463 0.000 0.000) 1.463 13.499 ( -0.552 -0.000 0.000) 0.552 13.499 ( -0.552 0.000 0.000) 0.552 19.543 ( 1.473 0.000 -0.000) 1.473 19.543 ( 1.473 0.000 0.000) 1.473 19.626 ( -0.257 0.000 0.000) 0.257 19.626 ( -0.257 0.000 0.000) 0.257 ======================= Grid point 543 (159/160) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 6.878 -0.000 0.000) 6.878 1.799 ( 6.878 0.000 0.000) 6.878 1.968 ( -2.019 -0.000 -0.000) 2.019 1.968 ( -2.019 0.000 0.000) 2.019 2.304 ( 7.497 0.000 0.000) 7.497 2.304 ( 7.497 0.000 0.000) 7.497 2.668 ( -10.391 0.000 0.000) 10.391 2.668 ( -10.391 0.000 0.000) 10.391 3.121 ( 1.394 0.000 0.000) 1.394 3.121 ( 1.394 0.000 0.000) 1.394 3.199 ( -2.606 0.000 0.000) 2.606 3.199 ( -2.606 0.000 0.000) 2.606 4.361 ( 7.370 -0.000 0.000) 7.370 4.361 ( 7.370 0.000 0.000) 7.370 4.566 ( -3.209 0.000 0.000) 3.209 4.566 ( -3.209 0.000 0.000) 3.209 8.055 ( -2.232 -0.000 0.000) 2.232 8.055 ( -2.232 -0.000 0.000) 2.232 8.102 ( -4.191 0.000 0.000) 4.191 8.102 ( -4.191 0.000 0.000) 4.191 10.941 ( -0.670 -0.000 -0.000) 0.670 10.941 ( -0.670 0.000 -0.000) 0.670 10.950 ( -0.953 -0.000 0.000) 0.953 10.950 ( -0.953 0.000 0.000) 0.953 12.503 ( 3.120 -0.000 0.000) 3.120 12.503 ( 3.120 0.000 0.000) 3.120 12.586 ( -1.169 -0.000 -0.000) 1.169 12.586 ( -1.169 0.000 0.000) 1.169 13.420 ( 1.784 -0.000 0.000) 1.784 13.420 ( 1.784 0.000 -0.000) 1.784 13.482 ( -1.183 -0.000 0.000) 1.183 13.482 ( -1.183 0.000 0.000) 1.183 19.573 ( 1.546 0.000 -0.000) 1.546 19.573 ( 1.546 0.000 0.000) 1.546 19.617 ( -0.672 -0.000 0.000) 0.672 19.617 ( -0.672 -0.000 0.000) 0.672 ======================= Grid point 547 (160/160) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -1.690 -4.830 0.000) 5.117 1.908 ( -1.690 -4.830 0.000) 5.117 1.908 ( 1.690 4.830 0.000) 5.117 1.908 ( 1.690 4.830 0.000) 5.117 2.472 ( -9.459 -0.324 0.000) 9.464 2.472 ( -9.459 -0.324 0.000) 9.464 2.472 ( 9.459 0.324 0.000) 9.464 2.472 ( 9.459 0.324 0.000) 9.464 3.154 ( -1.830 -0.212 0.000) 1.842 3.154 ( -1.830 -0.212 0.000) 1.842 3.154 ( 1.830 0.212 0.000) 1.842 3.154 ( 1.830 0.212 0.000) 1.842 4.484 ( -1.508 -8.692 0.000) 8.821 4.484 ( -1.508 -8.692 0.000) 8.821 4.484 ( 1.508 8.692 0.000) 8.821 4.484 ( 1.508 8.692 0.000) 8.821 8.046 ( -0.031 -29.473 0.000) 29.473 8.046 ( -0.031 -29.473 0.000) 29.473 8.046 ( 0.031 29.473 0.000) 29.473 8.046 ( 0.031 29.473 0.000) 29.473 10.938 ( -0.001 -23.726 -0.000) 23.726 10.938 ( -0.001 -23.726 0.000) 23.726 10.938 ( 0.001 23.726 0.000) 23.726 10.938 ( 0.001 23.726 0.000) 23.726 12.554 ( -0.327 -6.932 0.000) 6.940 12.554 ( -0.327 -6.932 0.000) 6.940 12.554 ( 0.327 6.932 0.000) 6.940 12.554 ( 0.327 6.932 0.000) 6.940 13.454 ( -0.047 -29.548 0.000) 29.548 13.454 ( -0.047 -29.548 0.000) 29.548 13.454 ( 0.047 29.548 0.000) 29.548 13.454 ( 0.047 29.548 0.000) 29.548 19.600 ( -0.152 -4.584 0.000) 4.586 19.600 ( -0.152 -4.584 0.000) 4.586 19.600 ( 0.152 4.584 0.000) 4.586 19.600 ( 0.152 4.584 0.000) 4.586 =================== 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 3/24192 10.0 60.378 53.519 27.636 0.000 0.000 0.000 3/24192 20.0 24.063 41.503 12.675 0.000 0.000 -0.000 3/24192 30.0 13.658 26.985 7.449 0.000 0.000 -0.000 3/24192 40.0 9.285 20.144 5.132 0.000 0.000 -0.000 3/24192 50.0 6.978 16.452 3.889 0.000 0.000 -0.000 3/24192 60.0 5.583 14.252 3.132 0.000 0.000 -0.000 3/24192 70.0 4.658 12.833 2.627 0.000 0.000 -0.000 3/24192 80.0 4.001 11.841 2.267 0.000 0.000 -0.000 3/24192 90.0 3.510 11.092 1.997 0.000 0.000 -0.000 3/24192 100.0 3.129 10.487 1.787 0.000 0.000 -0.000 3/24192 110.0 2.826 9.973 1.619 0.000 0.000 -0.000 3/24192 120.0 2.577 9.519 1.482 0.000 0.000 -0.000 3/24192 130.0 2.371 9.110 1.367 0.000 0.000 -0.000 3/24192 140.0 2.196 8.734 1.270 0.000 0.000 -0.000 3/24192 150.0 2.046 8.387 1.187 0.000 0.000 -0.000 3/24192 160.0 1.916 8.064 1.115 0.000 0.000 -0.000 3/24192 170.0 1.802 7.762 1.052 0.000 0.000 -0.000 3/24192 180.0 1.702 7.479 0.996 0.000 0.000 -0.000 3/24192 190.0 1.612 7.213 0.946 0.000 0.000 -0.000 3/24192 200.0 1.532 6.964 0.901 0.000 0.000 -0.000 3/24192 210.0 1.460 6.729 0.861 0.000 0.000 -0.000 3/24192 220.0 1.395 6.508 0.824 0.000 0.000 -0.000 3/24192 230.0 1.335 6.300 0.790 0.000 0.000 -0.000 3/24192 240.0 1.280 6.103 0.759 0.000 0.000 -0.000 3/24192 250.0 1.230 5.917 0.731 0.000 0.000 -0.000 3/24192 260.0 1.184 5.741 0.704 0.000 0.000 -0.000 3/24192 270.0 1.141 5.574 0.680 0.000 0.000 -0.000 3/24192 280.0 1.101 5.416 0.657 0.000 0.000 -0.000 3/24192 290.0 1.064 5.266 0.636 0.000 0.000 -0.000 3/24192 300.0 1.030 5.123 0.616 0.000 0.000 -0.000 3/24192 310.0 0.997 4.988 0.598 0.000 0.000 -0.000 3/24192 320.0 0.967 4.859 0.580 0.000 0.000 -0.000 3/24192 330.0 0.938 4.736 0.564 0.000 0.000 -0.000 3/24192 340.0 0.912 4.619 0.548 0.000 0.000 -0.000 3/24192 350.0 0.886 4.507 0.533 0.000 0.000 -0.000 3/24192 360.0 0.862 4.400 0.519 0.000 0.000 -0.000 3/24192 370.0 0.840 4.298 0.506 0.000 0.000 -0.000 3/24192 380.0 0.818 4.200 0.494 0.000 0.000 -0.000 3/24192 390.0 0.798 4.106 0.482 0.000 0.000 -0.000 3/24192 400.0 0.778 4.017 0.470 0.000 0.000 -0.000 3/24192 410.0 0.760 3.930 0.459 0.000 0.000 -0.000 3/24192 420.0 0.742 3.848 0.449 0.000 0.000 -0.000 3/24192 430.0 0.725 3.768 0.439 0.000 0.000 -0.000 3/24192 440.0 0.709 3.692 0.430 0.000 0.000 -0.000 3/24192 450.0 0.694 3.619 0.421 0.000 0.000 -0.000 3/24192 460.0 0.679 3.548 0.412 0.000 0.000 -0.000 3/24192 470.0 0.665 3.480 0.404 0.000 0.000 -0.000 3/24192 480.0 0.651 3.415 0.395 0.000 0.000 -0.000 3/24192 490.0 0.638 3.352 0.388 0.000 0.000 -0.000 3/24192 500.0 0.626 3.291 0.380 0.000 0.000 -0.000 3/24192 510.0 0.614 3.232 0.373 0.000 0.000 -0.000 3/24192 520.0 0.602 3.175 0.366 0.000 0.000 -0.000 3/24192 530.0 0.591 3.120 0.360 0.000 0.000 -0.000 3/24192 540.0 0.581 3.067 0.353 0.000 0.000 -0.000 3/24192 550.0 0.570 3.015 0.347 0.000 0.000 -0.000 3/24192 560.0 0.560 2.966 0.341 0.000 0.000 -0.000 3/24192 570.0 0.551 2.918 0.335 0.000 0.000 -0.000 3/24192 580.0 0.541 2.871 0.330 0.000 0.000 -0.000 3/24192 590.0 0.532 2.826 0.325 0.000 0.000 -0.000 3/24192 600.0 0.524 2.782 0.319 0.000 0.000 -0.000 3/24192 610.0 0.515 2.739 0.314 0.000 0.000 -0.000 3/24192 620.0 0.507 2.698 0.309 0.000 0.000 -0.000 3/24192 630.0 0.499 2.658 0.305 0.000 0.000 -0.000 3/24192 640.0 0.491 2.619 0.300 0.000 0.000 -0.000 3/24192 650.0 0.484 2.581 0.296 0.000 0.000 -0.000 3/24192 660.0 0.477 2.544 0.291 0.000 0.000 -0.000 3/24192 670.0 0.470 2.509 0.287 0.000 0.000 -0.000 3/24192 680.0 0.463 2.474 0.283 0.000 0.000 -0.000 3/24192 690.0 0.456 2.440 0.279 0.000 0.000 -0.000 3/24192 700.0 0.450 2.407 0.275 0.000 0.000 -0.000 3/24192 710.0 0.444 2.375 0.271 0.000 0.000 -0.000 3/24192 720.0 0.438 2.344 0.268 0.000 0.000 -0.000 3/24192 730.0 0.432 2.313 0.264 0.000 0.000 -0.000 3/24192 740.0 0.426 2.284 0.261 0.000 0.000 -0.000 3/24192 750.0 0.420 2.255 0.257 0.000 0.000 -0.000 3/24192 760.0 0.415 2.226 0.254 0.000 0.000 -0.000 3/24192 770.0 0.410 2.199 0.251 0.000 0.000 -0.000 3/24192 780.0 0.405 2.172 0.248 0.000 0.000 -0.000 3/24192 790.0 0.399 2.146 0.245 0.000 0.000 -0.000 3/24192 800.0 0.395 2.120 0.242 0.000 0.000 -0.000 3/24192 810.0 0.390 2.095 0.239 0.000 0.000 -0.000 3/24192 820.0 0.385 2.071 0.236 0.000 0.000 -0.000 3/24192 830.0 0.380 2.047 0.233 0.000 0.000 -0.000 3/24192 840.0 0.376 2.023 0.230 0.000 0.000 -0.000 3/24192 850.0 0.372 2.001 0.228 0.000 0.000 -0.000 3/24192 860.0 0.367 1.978 0.225 0.000 0.000 -0.000 3/24192 870.0 0.363 1.956 0.223 0.000 0.000 -0.000 3/24192 880.0 0.359 1.935 0.220 0.000 0.000 -0.000 3/24192 890.0 0.355 1.914 0.218 0.000 0.000 -0.000 3/24192 900.0 0.351 1.894 0.215 0.000 0.000 -0.000 3/24192 910.0 0.347 1.874 0.213 0.000 0.000 -0.000 3/24192 920.0 0.344 1.854 0.211 0.000 0.000 -0.000 3/24192 930.0 0.340 1.835 0.209 0.000 0.000 -0.000 3/24192 940.0 0.336 1.816 0.206 0.000 0.000 -0.000 3/24192 950.0 0.333 1.797 0.204 0.000 0.000 -0.000 3/24192 960.0 0.330 1.779 0.202 0.000 0.000 -0.000 3/24192 970.0 0.326 1.762 0.200 0.000 0.000 -0.000 3/24192 980.0 0.323 1.744 0.198 0.000 0.000 -0.000 3/24192 990.0 0.320 1.727 0.196 0.000 0.000 -0.000 3/24192 1000.0 0.317 1.711 0.194 0.000 0.000 -0.000 3/24192 Thermal conductivity related properties were written into "kappa-m8146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:19:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|