----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:37:19]------------------------- 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: [3 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.056342980255675 0.000000000000000 0.000000000000000 b 0.000000000000000 6.076286300000001 0.000000000000000 c -2.423466971333601 0.000000000000000 5.672310031695988 Atomic positions (fractional): *1 As 0.15437783414936 0.87281631314175 0.37586354343057 74.922 2 As 0.84562216585064 0.37281631314175 0.12413645656943 74.922 3 As 0.84562216585064 0.12718368685825 0.62413645656943 74.922 4 As 0.15437783414936 0.62718368685825 0.87586354343057 74.922 *5 As 0.33812320740443 0.37014149519739 0.68594176234735 74.922 6 As 0.66187679259557 0.87014149519739 0.81405823765265 74.922 7 As 0.66187679259557 0.62985850480261 0.31405823765265 74.922 8 As 0.33812320740443 0.12985850480261 0.18594176234735 74.922 *9 Ir 0.27242087926265 0.50028616650865 0.29318169738576 192.217 10 Ir 0.72757912073735 0.00028616650865 0.20681830261424 192.217 11 Ir 0.72757912073735 0.49971383349135 0.70681830261423 192.217 12 Ir 0.27242087926265 0.99971383349135 0.79318169738577 192.217 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.056342980255675 0.000000000000000 0.000000000000000 b 0.000000000000000 6.076286300000001 0.000000000000000 c -2.423466971333601 0.000000000000000 5.672310031695988 Atomic positions (fractional): *1 As 0.15437783414936 0.87281631314175 0.37586354343057 74.922 > 1 2 As 0.84562216585064 0.37281631314175 0.12413645656943 74.922 > 2 3 As 0.84562216585064 0.12718368685825 0.62413645656943 74.922 > 3 4 As 0.15437783414936 0.62718368685825 0.87586354343057 74.922 > 4 *5 As 0.33812320740443 0.37014149519739 0.68594176234735 74.922 > 5 6 As 0.66187679259557 0.87014149519739 0.81405823765265 74.922 > 6 7 As 0.66187679259557 0.62985850480261 0.31405823765265 74.922 > 7 8 As 0.33812320740443 0.12985850480261 0.18594176234735 74.922 > 8 *9 Ir 0.27242087926265 0.50028616650865 0.29318169738576 192.217 > 9 10 Ir 0.72757912073735 0.00028616650865 0.20681830261424 192.217 > 10 11 Ir 0.72757912073735 0.49971383349135 0.70681830261423 192.217 > 11 12 Ir 0.27242087926265 0.99971383349135 0.79318169738577 192.217 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.169028940767024 0.000000000000000 0.000000000000000 b 0.000000000000000 12.152572600000003 0.000000000000000 c -4.846933942667202 0.000000000000000 11.344620063391975 Atomic positions (fractional): *1 As 0.05145927804979 0.43640815657087 0.18793177171529 74.922 > 1 2 As 0.38479261138312 0.43640815657087 0.18793177171529 74.922 > 1 3 As 0.71812594471645 0.43640815657087 0.18793177171529 74.922 > 1 4 As 0.05145927804979 0.93640815657087 0.18793177171529 74.922 > 1 5 As 0.38479261138312 0.93640815657087 0.18793177171529 74.922 > 1 6 As 0.71812594471645 0.93640815657087 0.18793177171529 74.922 > 1 7 As 0.05145927804979 0.43640815657087 0.68793177171529 74.922 > 1 8 As 0.38479261138312 0.43640815657087 0.68793177171529 74.922 > 1 9 As 0.71812594471645 0.43640815657087 0.68793177171529 74.922 > 1 10 As 0.05145927804979 0.93640815657087 0.68793177171529 74.922 > 1 11 As 0.38479261138312 0.93640815657087 0.68793177171529 74.922 > 1 12 As 0.71812594471645 0.93640815657087 0.68793177171529 74.922 > 1 13 As 0.28187405528355 0.18640815657087 0.06206822828471 74.922 > 2 14 As 0.61520738861688 0.18640815657087 0.06206822828471 74.922 > 2 15 As 0.94854072195021 0.18640815657087 0.06206822828471 74.922 > 2 16 As 0.28187405528355 0.68640815657087 0.06206822828471 74.922 > 2 17 As 0.61520738861688 0.68640815657087 0.06206822828471 74.922 > 2 18 As 0.94854072195021 0.68640815657087 0.06206822828471 74.922 > 2 19 As 0.28187405528355 0.18640815657087 0.56206822828471 74.922 > 2 20 As 0.61520738861688 0.18640815657087 0.56206822828471 74.922 > 2 21 As 0.94854072195021 0.18640815657087 0.56206822828471 74.922 > 2 22 As 0.28187405528355 0.68640815657087 0.56206822828471 74.922 > 2 23 As 0.61520738861688 0.68640815657087 0.56206822828471 74.922 > 2 24 As 0.94854072195021 0.68640815657087 0.56206822828471 74.922 > 2 25 As 0.28187405528355 0.06359184342913 0.31206822828471 74.922 > 3 26 As 0.61520738861688 0.06359184342913 0.31206822828471 74.922 > 3 27 As 0.94854072195021 0.06359184342913 0.31206822828471 74.922 > 3 28 As 0.28187405528355 0.56359184342913 0.31206822828471 74.922 > 3 29 As 0.61520738861688 0.56359184342913 0.31206822828471 74.922 > 3 30 As 0.94854072195021 0.56359184342913 0.31206822828471 74.922 > 3 31 As 0.28187405528355 0.06359184342913 0.81206822828471 74.922 > 3 32 As 0.61520738861688 0.06359184342913 0.81206822828471 74.922 > 3 33 As 0.94854072195021 0.06359184342913 0.81206822828471 74.922 > 3 34 As 0.28187405528355 0.56359184342913 0.81206822828471 74.922 > 3 35 As 0.61520738861688 0.56359184342913 0.81206822828471 74.922 > 3 36 As 0.94854072195021 0.56359184342913 0.81206822828471 74.922 > 3 37 As 0.05145927804979 0.31359184342913 0.43793177171529 74.922 > 4 38 As 0.38479261138312 0.31359184342913 0.43793177171529 74.922 > 4 39 As 0.71812594471645 0.31359184342913 0.43793177171529 74.922 > 4 40 As 0.05145927804979 0.81359184342913 0.43793177171529 74.922 > 4 41 As 0.38479261138312 0.81359184342913 0.43793177171529 74.922 > 4 42 As 0.71812594471645 0.81359184342913 0.43793177171529 74.922 > 4 43 As 0.05145927804979 0.31359184342913 0.93793177171529 74.922 > 4 44 As 0.38479261138312 0.31359184342913 0.93793177171529 74.922 > 4 45 As 0.71812594471645 0.31359184342913 0.93793177171529 74.922 > 4 46 As 0.05145927804979 0.81359184342913 0.93793177171529 74.922 > 4 47 As 0.38479261138312 0.81359184342913 0.93793177171529 74.922 > 4 48 As 0.71812594471645 0.81359184342913 0.93793177171529 74.922 > 4 *49 As 0.11270773580148 0.18507074759869 0.34297088117368 74.922 > 5 50 As 0.44604106913481 0.18507074759869 0.34297088117368 74.922 > 5 51 As 0.77937440246814 0.18507074759869 0.34297088117368 74.922 > 5 52 As 0.11270773580148 0.68507074759869 0.34297088117368 74.922 > 5 53 As 0.44604106913481 0.68507074759869 0.34297088117368 74.922 > 5 54 As 0.77937440246814 0.68507074759869 0.34297088117368 74.922 > 5 55 As 0.11270773580148 0.18507074759869 0.84297088117368 74.922 > 5 56 As 0.44604106913481 0.18507074759869 0.84297088117368 74.922 > 5 57 As 0.77937440246814 0.18507074759869 0.84297088117368 74.922 > 5 58 As 0.11270773580148 0.68507074759869 0.84297088117368 74.922 > 5 59 As 0.44604106913481 0.68507074759869 0.84297088117368 74.922 > 5 60 As 0.77937440246814 0.68507074759869 0.84297088117368 74.922 > 5 61 As 0.22062559753186 0.43507074759869 0.40702911882632 74.922 > 6 62 As 0.55395893086519 0.43507074759869 0.40702911882632 74.922 > 6 63 As 0.88729226419852 0.43507074759869 0.40702911882632 74.922 > 6 64 As 0.22062559753186 0.93507074759869 0.40702911882632 74.922 > 6 65 As 0.55395893086519 0.93507074759869 0.40702911882632 74.922 > 6 66 As 0.88729226419852 0.93507074759869 0.40702911882632 74.922 > 6 67 As 0.22062559753186 0.43507074759869 0.90702911882632 74.922 > 6 68 As 0.55395893086519 0.43507074759869 0.90702911882632 74.922 > 6 69 As 0.88729226419852 0.43507074759869 0.90702911882632 74.922 > 6 70 As 0.22062559753186 0.93507074759869 0.90702911882632 74.922 > 6 71 As 0.55395893086519 0.93507074759869 0.90702911882632 74.922 > 6 72 As 0.88729226419852 0.93507074759869 0.90702911882632 74.922 > 6 73 As 0.22062559753186 0.31492925240131 0.15702911882632 74.922 > 7 74 As 0.55395893086519 0.31492925240131 0.15702911882632 74.922 > 7 75 As 0.88729226419852 0.31492925240131 0.15702911882632 74.922 > 7 76 As 0.22062559753186 0.81492925240131 0.15702911882632 74.922 > 7 77 As 0.55395893086519 0.81492925240131 0.15702911882632 74.922 > 7 78 As 0.88729226419852 0.81492925240131 0.15702911882632 74.922 > 7 79 As 0.22062559753186 0.31492925240131 0.65702911882632 74.922 > 7 80 As 0.55395893086519 0.31492925240131 0.65702911882632 74.922 > 7 81 As 0.88729226419852 0.31492925240131 0.65702911882632 74.922 > 7 82 As 0.22062559753186 0.81492925240131 0.65702911882632 74.922 > 7 83 As 0.55395893086519 0.81492925240131 0.65702911882632 74.922 > 7 84 As 0.88729226419852 0.81492925240131 0.65702911882632 74.922 > 7 85 As 0.11270773580148 0.06492925240131 0.09297088117368 74.922 > 8 86 As 0.44604106913481 0.06492925240131 0.09297088117368 74.922 > 8 87 As 0.77937440246814 0.06492925240131 0.09297088117368 74.922 > 8 88 As 0.11270773580148 0.56492925240131 0.09297088117368 74.922 > 8 89 As 0.44604106913481 0.56492925240131 0.09297088117368 74.922 > 8 90 As 0.77937440246814 0.56492925240131 0.09297088117368 74.922 > 8 91 As 0.11270773580148 0.06492925240131 0.59297088117368 74.922 > 8 92 As 0.44604106913481 0.06492925240131 0.59297088117368 74.922 > 8 93 As 0.77937440246814 0.06492925240131 0.59297088117368 74.922 > 8 94 As 0.11270773580148 0.56492925240131 0.59297088117368 74.922 > 8 95 As 0.44604106913481 0.56492925240131 0.59297088117368 74.922 > 8 96 As 0.77937440246814 0.56492925240131 0.59297088117368 74.922 > 8 *97 Ir 0.09080695975422 0.25014308325433 0.14659084869288 192.217 > 9 98 Ir 0.42414029308755 0.25014308325433 0.14659084869288 192.217 > 9 99 Ir 0.75747362642088 0.25014308325433 0.14659084869288 192.217 > 9 100 Ir 0.09080695975422 0.75014308325433 0.14659084869288 192.217 > 9 101 Ir 0.42414029308755 0.75014308325433 0.14659084869288 192.217 > 9 102 Ir 0.75747362642088 0.75014308325433 0.14659084869288 192.217 > 9 103 Ir 0.09080695975422 0.25014308325433 0.64659084869288 192.217 > 9 104 Ir 0.42414029308755 0.25014308325433 0.64659084869288 192.217 > 9 105 Ir 0.75747362642088 0.25014308325433 0.64659084869288 192.217 > 9 106 Ir 0.09080695975422 0.75014308325433 0.64659084869288 192.217 > 9 107 Ir 0.42414029308755 0.75014308325433 0.64659084869288 192.217 > 9 108 Ir 0.75747362642088 0.75014308325433 0.64659084869288 192.217 > 9 109 Ir 0.24252637357912 0.00014308325433 0.10340915130712 192.217 > 10 110 Ir 0.57585970691245 0.00014308325433 0.10340915130712 192.217 > 10 111 Ir 0.90919304024578 0.00014308325433 0.10340915130712 192.217 > 10 112 Ir 0.24252637357912 0.50014308325433 0.10340915130712 192.217 > 10 113 Ir 0.57585970691245 0.50014308325433 0.10340915130712 192.217 > 10 114 Ir 0.90919304024578 0.50014308325433 0.10340915130712 192.217 > 10 115 Ir 0.24252637357912 0.00014308325433 0.60340915130712 192.217 > 10 116 Ir 0.57585970691245 0.00014308325433 0.60340915130712 192.217 > 10 117 Ir 0.90919304024578 0.00014308325433 0.60340915130712 192.217 > 10 118 Ir 0.24252637357912 0.50014308325433 0.60340915130712 192.217 > 10 119 Ir 0.57585970691245 0.50014308325433 0.60340915130712 192.217 > 10 120 Ir 0.90919304024578 0.50014308325433 0.60340915130712 192.217 > 10 121 Ir 0.24252637357912 0.24985691674567 0.35340915130712 192.217 > 11 122 Ir 0.57585970691245 0.24985691674567 0.35340915130712 192.217 > 11 123 Ir 0.90919304024578 0.24985691674567 0.35340915130712 192.217 > 11 124 Ir 0.24252637357912 0.74985691674567 0.35340915130712 192.217 > 11 125 Ir 0.57585970691245 0.74985691674567 0.35340915130712 192.217 > 11 126 Ir 0.90919304024578 0.74985691674567 0.35340915130712 192.217 > 11 127 Ir 0.24252637357912 0.24985691674567 0.85340915130712 192.217 > 11 128 Ir 0.57585970691245 0.24985691674567 0.85340915130712 192.217 > 11 129 Ir 0.90919304024578 0.24985691674567 0.85340915130712 192.217 > 11 130 Ir 0.24252637357912 0.74985691674567 0.85340915130712 192.217 > 11 131 Ir 0.57585970691245 0.74985691674567 0.85340915130712 192.217 > 11 132 Ir 0.90919304024578 0.74985691674567 0.85340915130712 192.217 > 11 133 Ir 0.09080695975422 0.49985691674567 0.39659084869288 192.217 > 12 134 Ir 0.42414029308755 0.49985691674567 0.39659084869288 192.217 > 12 135 Ir 0.75747362642088 0.49985691674567 0.39659084869288 192.217 > 12 136 Ir 0.09080695975422 0.99985691674567 0.39659084869288 192.217 > 12 137 Ir 0.42414029308755 0.99985691674567 0.39659084869288 192.217 > 12 138 Ir 0.75747362642088 0.99985691674567 0.39659084869288 192.217 > 12 139 Ir 0.09080695975422 0.49985691674567 0.89659084869288 192.217 > 12 140 Ir 0.42414029308755 0.49985691674567 0.89659084869288 192.217 > 12 141 Ir 0.75747362642088 0.49985691674567 0.89659084869288 192.217 > 12 142 Ir 0.09080695975422 0.99985691674567 0.89659084869288 192.217 > 12 143 Ir 0.42414029308755 0.99985691674567 0.89659084869288 192.217 > 12 144 Ir 0.75747362642088 0.99985691674567 0.89659084869288 192.217 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.2465515 0.0000000 -0.1242446 0.0000000 21.5282377 0.0000000 -0.1242120 0.0000000 18.9616085 -------------------------- Born effective charges -------------------------- 1 As 2.3954653 0.3295667 0.5337121 0.5159961 2.4440458 -0.4774546 -0.1029862 -0.1555052 2.9804578 2 As 2.3954653 -0.3295667 0.5337121 -0.5159961 2.4440458 0.4774546 -0.1029862 0.1555052 2.9804578 3 As 2.3954653 0.3295667 0.5337121 0.5159961 2.4440458 -0.4774546 -0.1029862 -0.1555052 2.9804578 4 As 2.3954653 -0.3295667 0.5337121 -0.5159961 2.4440458 0.4774546 -0.1029862 0.1555052 2.9804578 5 As 3.0280508 -0.2560497 -0.2480846 -0.0793482 2.5646461 0.0563014 0.0936463 -0.0076471 2.6649477 6 As 3.0280508 0.2560497 -0.2480846 0.0793482 2.5646461 -0.0563014 0.0936463 0.0076471 2.6649477 7 As 3.0280508 -0.2560497 -0.2480846 -0.0793482 2.5646461 0.0563014 0.0936463 -0.0076471 2.6649477 8 As 3.0280508 0.2560497 -0.2480846 0.0793482 2.5646461 -0.0563014 0.0936463 0.0076471 2.6649477 9 Ir -5.4235162 -0.4178352 -0.2856276 -0.5165218 -5.0086919 0.3533594 0.0093399 0.1390142 -5.6454055 10 Ir -5.4235162 0.4178352 -0.2856276 0.5165218 -5.0086919 -0.3533594 0.0093399 -0.1390142 -5.6454055 11 Ir -5.4235162 -0.4178352 -0.2856276 -0.5165218 -5.0086919 0.3533594 0.0093399 0.1390142 -5.6454055 12 Ir -5.4235162 0.4178352 -0.2856276 0.5165218 -5.0086919 -0.3533594 0.0093399 -0.1390142 -5.6454055 ---------------------------------------------------------------------------- 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: 2016 Number of blocks in projector: 2016 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (2016, 1990), data: False |-- (240, 237), data: True |-- (240, 237), data: True |-- (240, 237), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 400 - Time: 5.360 Solver_block: 200 / 400 - Time: 5.294 Solver_block: 300 / 400 - Time: 5.370 Solver_block: 400 / 400 - Time: 5.322 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.706 --------------------------------- 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: 2016 Number of blocks in projector: 2016 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (2016, 1990), data: False |-- (240, 237), data: True |-- (240, 237), data: True |-- (240, 237), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), 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 01:38:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:38:25]------------------------- 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): [3 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.056342980255675 0.000000000000000 0.000000000000000 b 0.000000000000000 6.076286300000001 0.000000000000000 c -2.423466971333601 0.000000000000000 5.672310031695988 Atomic positions (fractional): 1 As 0.15437783414936 0.87281631314175 0.37586354343057 74.922 2 As 0.84562216585064 0.37281631314175 0.12413645656943 74.922 3 As 0.84562216585064 0.12718368685825 0.62413645656943 74.922 4 As 0.15437783414936 0.62718368685825 0.87586354343057 74.922 5 As 0.33812320740443 0.37014149519739 0.68594176234735 74.922 6 As 0.66187679259557 0.87014149519739 0.81405823765265 74.922 7 As 0.66187679259557 0.62985850480261 0.31405823765265 74.922 8 As 0.33812320740443 0.12985850480261 0.18594176234735 74.922 9 Ir 0.27242087926265 0.50028616650865 0.29318169738576 192.217 10 Ir 0.72757912073735 0.00028616650865 0.20681830261424 192.217 11 Ir 0.72757912073735 0.49971383349135 0.70681830261423 192.217 12 Ir 0.27242087926265 0.99971383349135 0.79318169738577 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.169028940767024 0.000000000000000 0.000000000000000 b 0.000000000000000 12.152572600000003 0.000000000000000 c -4.846933942667202 0.000000000000000 11.344620063391975 Atomic positions (fractional): 1 As 0.05145927804979 0.43640815657087 0.18793177171529 74.922 > 1 2 As 0.38479261138312 0.43640815657087 0.18793177171529 74.922 > 1 3 As 0.71812594471645 0.43640815657087 0.18793177171529 74.922 > 1 4 As 0.05145927804979 0.93640815657087 0.18793177171529 74.922 > 1 5 As 0.38479261138312 0.93640815657087 0.18793177171529 74.922 > 1 6 As 0.71812594471645 0.93640815657087 0.18793177171529 74.922 > 1 7 As 0.05145927804979 0.43640815657087 0.68793177171529 74.922 > 1 8 As 0.38479261138312 0.43640815657087 0.68793177171529 74.922 > 1 9 As 0.71812594471645 0.43640815657087 0.68793177171529 74.922 > 1 10 As 0.05145927804979 0.93640815657087 0.68793177171529 74.922 > 1 11 As 0.38479261138312 0.93640815657087 0.68793177171529 74.922 > 1 12 As 0.71812594471645 0.93640815657087 0.68793177171529 74.922 > 1 13 As 0.28187405528355 0.18640815657087 0.06206822828471 74.922 > 13 14 As 0.61520738861688 0.18640815657087 0.06206822828471 74.922 > 13 15 As 0.94854072195021 0.18640815657087 0.06206822828471 74.922 > 13 16 As 0.28187405528355 0.68640815657087 0.06206822828471 74.922 > 13 17 As 0.61520738861688 0.68640815657087 0.06206822828471 74.922 > 13 18 As 0.94854072195021 0.68640815657087 0.06206822828471 74.922 > 13 19 As 0.28187405528355 0.18640815657087 0.56206822828471 74.922 > 13 20 As 0.61520738861688 0.18640815657087 0.56206822828471 74.922 > 13 21 As 0.94854072195021 0.18640815657087 0.56206822828471 74.922 > 13 22 As 0.28187405528355 0.68640815657087 0.56206822828471 74.922 > 13 23 As 0.61520738861688 0.68640815657087 0.56206822828471 74.922 > 13 24 As 0.94854072195021 0.68640815657087 0.56206822828471 74.922 > 13 25 As 0.28187405528355 0.06359184342913 0.31206822828471 74.922 > 25 26 As 0.61520738861688 0.06359184342913 0.31206822828471 74.922 > 25 27 As 0.94854072195021 0.06359184342913 0.31206822828471 74.922 > 25 28 As 0.28187405528355 0.56359184342913 0.31206822828471 74.922 > 25 29 As 0.61520738861688 0.56359184342913 0.31206822828471 74.922 > 25 30 As 0.94854072195021 0.56359184342913 0.31206822828471 74.922 > 25 31 As 0.28187405528355 0.06359184342913 0.81206822828471 74.922 > 25 32 As 0.61520738861688 0.06359184342913 0.81206822828471 74.922 > 25 33 As 0.94854072195021 0.06359184342913 0.81206822828471 74.922 > 25 34 As 0.28187405528355 0.56359184342913 0.81206822828471 74.922 > 25 35 As 0.61520738861688 0.56359184342913 0.81206822828471 74.922 > 25 36 As 0.94854072195021 0.56359184342913 0.81206822828471 74.922 > 25 37 As 0.05145927804979 0.31359184342913 0.43793177171529 74.922 > 37 38 As 0.38479261138312 0.31359184342913 0.43793177171529 74.922 > 37 39 As 0.71812594471645 0.31359184342913 0.43793177171529 74.922 > 37 40 As 0.05145927804979 0.81359184342913 0.43793177171529 74.922 > 37 41 As 0.38479261138312 0.81359184342913 0.43793177171529 74.922 > 37 42 As 0.71812594471645 0.81359184342913 0.43793177171529 74.922 > 37 43 As 0.05145927804979 0.31359184342913 0.93793177171529 74.922 > 37 44 As 0.38479261138312 0.31359184342913 0.93793177171529 74.922 > 37 45 As 0.71812594471645 0.31359184342913 0.93793177171529 74.922 > 37 46 As 0.05145927804979 0.81359184342913 0.93793177171529 74.922 > 37 47 As 0.38479261138312 0.81359184342913 0.93793177171529 74.922 > 37 48 As 0.71812594471645 0.81359184342913 0.93793177171529 74.922 > 37 49 As 0.11270773580148 0.18507074759869 0.34297088117368 74.922 > 49 50 As 0.44604106913481 0.18507074759869 0.34297088117368 74.922 > 49 51 As 0.77937440246814 0.18507074759869 0.34297088117368 74.922 > 49 52 As 0.11270773580148 0.68507074759869 0.34297088117368 74.922 > 49 53 As 0.44604106913481 0.68507074759869 0.34297088117368 74.922 > 49 54 As 0.77937440246814 0.68507074759869 0.34297088117368 74.922 > 49 55 As 0.11270773580148 0.18507074759869 0.84297088117368 74.922 > 49 56 As 0.44604106913481 0.18507074759869 0.84297088117368 74.922 > 49 57 As 0.77937440246814 0.18507074759869 0.84297088117368 74.922 > 49 58 As 0.11270773580148 0.68507074759869 0.84297088117368 74.922 > 49 59 As 0.44604106913481 0.68507074759869 0.84297088117368 74.922 > 49 60 As 0.77937440246814 0.68507074759869 0.84297088117368 74.922 > 49 61 As 0.22062559753186 0.43507074759869 0.40702911882632 74.922 > 61 62 As 0.55395893086519 0.43507074759869 0.40702911882632 74.922 > 61 63 As 0.88729226419852 0.43507074759869 0.40702911882632 74.922 > 61 64 As 0.22062559753186 0.93507074759869 0.40702911882632 74.922 > 61 65 As 0.55395893086519 0.93507074759869 0.40702911882632 74.922 > 61 66 As 0.88729226419852 0.93507074759869 0.40702911882632 74.922 > 61 67 As 0.22062559753186 0.43507074759869 0.90702911882632 74.922 > 61 68 As 0.55395893086519 0.43507074759869 0.90702911882632 74.922 > 61 69 As 0.88729226419852 0.43507074759869 0.90702911882632 74.922 > 61 70 As 0.22062559753186 0.93507074759869 0.90702911882632 74.922 > 61 71 As 0.55395893086519 0.93507074759869 0.90702911882632 74.922 > 61 72 As 0.88729226419852 0.93507074759869 0.90702911882632 74.922 > 61 73 As 0.22062559753186 0.31492925240131 0.15702911882632 74.922 > 73 74 As 0.55395893086519 0.31492925240131 0.15702911882632 74.922 > 73 75 As 0.88729226419852 0.31492925240131 0.15702911882632 74.922 > 73 76 As 0.22062559753186 0.81492925240131 0.15702911882632 74.922 > 73 77 As 0.55395893086519 0.81492925240131 0.15702911882632 74.922 > 73 78 As 0.88729226419852 0.81492925240131 0.15702911882632 74.922 > 73 79 As 0.22062559753186 0.31492925240131 0.65702911882632 74.922 > 73 80 As 0.55395893086519 0.31492925240131 0.65702911882632 74.922 > 73 81 As 0.88729226419852 0.31492925240131 0.65702911882632 74.922 > 73 82 As 0.22062559753186 0.81492925240131 0.65702911882632 74.922 > 73 83 As 0.55395893086519 0.81492925240131 0.65702911882632 74.922 > 73 84 As 0.88729226419852 0.81492925240131 0.65702911882632 74.922 > 73 85 As 0.11270773580148 0.06492925240131 0.09297088117368 74.922 > 85 86 As 0.44604106913481 0.06492925240131 0.09297088117368 74.922 > 85 87 As 0.77937440246814 0.06492925240131 0.09297088117368 74.922 > 85 88 As 0.11270773580148 0.56492925240131 0.09297088117368 74.922 > 85 89 As 0.44604106913481 0.56492925240131 0.09297088117368 74.922 > 85 90 As 0.77937440246814 0.56492925240131 0.09297088117368 74.922 > 85 91 As 0.11270773580148 0.06492925240131 0.59297088117368 74.922 > 85 92 As 0.44604106913481 0.06492925240131 0.59297088117368 74.922 > 85 93 As 0.77937440246814 0.06492925240131 0.59297088117368 74.922 > 85 94 As 0.11270773580148 0.56492925240131 0.59297088117368 74.922 > 85 95 As 0.44604106913481 0.56492925240131 0.59297088117368 74.922 > 85 96 As 0.77937440246814 0.56492925240131 0.59297088117368 74.922 > 85 97 Ir 0.09080695975422 0.25014308325433 0.14659084869288 192.217 > 97 98 Ir 0.42414029308755 0.25014308325433 0.14659084869288 192.217 > 97 99 Ir 0.75747362642088 0.25014308325433 0.14659084869288 192.217 > 97 100 Ir 0.09080695975422 0.75014308325433 0.14659084869288 192.217 > 97 101 Ir 0.42414029308755 0.75014308325433 0.14659084869288 192.217 > 97 102 Ir 0.75747362642088 0.75014308325433 0.14659084869288 192.217 > 97 103 Ir 0.09080695975422 0.25014308325433 0.64659084869288 192.217 > 97 104 Ir 0.42414029308755 0.25014308325433 0.64659084869288 192.217 > 97 105 Ir 0.75747362642088 0.25014308325433 0.64659084869288 192.217 > 97 106 Ir 0.09080695975422 0.75014308325433 0.64659084869288 192.217 > 97 107 Ir 0.42414029308755 0.75014308325433 0.64659084869288 192.217 > 97 108 Ir 0.75747362642088 0.75014308325433 0.64659084869288 192.217 > 97 109 Ir 0.24252637357912 0.00014308325433 0.10340915130712 192.217 > 109 110 Ir 0.57585970691245 0.00014308325433 0.10340915130712 192.217 > 109 111 Ir 0.90919304024578 0.00014308325433 0.10340915130712 192.217 > 109 112 Ir 0.24252637357912 0.50014308325433 0.10340915130712 192.217 > 109 113 Ir 0.57585970691245 0.50014308325433 0.10340915130712 192.217 > 109 114 Ir 0.90919304024578 0.50014308325433 0.10340915130712 192.217 > 109 115 Ir 0.24252637357912 0.00014308325433 0.60340915130712 192.217 > 109 116 Ir 0.57585970691245 0.00014308325433 0.60340915130712 192.217 > 109 117 Ir 0.90919304024578 0.00014308325433 0.60340915130712 192.217 > 109 118 Ir 0.24252637357912 0.50014308325433 0.60340915130712 192.217 > 109 119 Ir 0.57585970691245 0.50014308325433 0.60340915130712 192.217 > 109 120 Ir 0.90919304024578 0.50014308325433 0.60340915130712 192.217 > 109 121 Ir 0.24252637357912 0.24985691674567 0.35340915130712 192.217 > 121 122 Ir 0.57585970691245 0.24985691674567 0.35340915130712 192.217 > 121 123 Ir 0.90919304024578 0.24985691674567 0.35340915130712 192.217 > 121 124 Ir 0.24252637357912 0.74985691674567 0.35340915130712 192.217 > 121 125 Ir 0.57585970691245 0.74985691674567 0.35340915130712 192.217 > 121 126 Ir 0.90919304024578 0.74985691674567 0.35340915130712 192.217 > 121 127 Ir 0.24252637357912 0.24985691674567 0.85340915130712 192.217 > 121 128 Ir 0.57585970691245 0.24985691674567 0.85340915130712 192.217 > 121 129 Ir 0.90919304024578 0.24985691674567 0.85340915130712 192.217 > 121 130 Ir 0.24252637357912 0.74985691674567 0.85340915130712 192.217 > 121 131 Ir 0.57585970691245 0.74985691674567 0.85340915130712 192.217 > 121 132 Ir 0.90919304024578 0.74985691674567 0.85340915130712 192.217 > 121 133 Ir 0.09080695975422 0.49985691674567 0.39659084869288 192.217 > 133 134 Ir 0.42414029308755 0.49985691674567 0.39659084869288 192.217 > 133 135 Ir 0.75747362642088 0.49985691674567 0.39659084869288 192.217 > 133 136 Ir 0.09080695975422 0.99985691674567 0.39659084869288 192.217 > 133 137 Ir 0.42414029308755 0.99985691674567 0.39659084869288 192.217 > 133 138 Ir 0.75747362642088 0.99985691674567 0.39659084869288 192.217 > 133 139 Ir 0.09080695975422 0.49985691674567 0.89659084869288 192.217 > 133 140 Ir 0.42414029308755 0.49985691674567 0.89659084869288 192.217 > 133 141 Ir 0.75747362642088 0.49985691674567 0.89659084869288 192.217 > 133 142 Ir 0.09080695975422 0.99985691674567 0.89659084869288 192.217 > 133 143 Ir 0.42414029308755 0.99985691674567 0.89659084869288 192.217 > 133 144 Ir 0.75747362642088 0.99985691674567 0.89659084869288 192.217 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.2465515 0.0000000 -0.1242446 0.0000000 21.5282377 0.0000000 -0.1242120 0.0000000 18.9616085 -------------------------- Born effective charges -------------------------- 1 As 2.3954653 0.3295667 0.5337121 0.5159961 2.4440458 -0.4774546 -0.1029862 -0.1555052 2.9804578 2 As 2.3954653 -0.3295667 0.5337121 -0.5159961 2.4440458 0.4774546 -0.1029862 0.1555052 2.9804578 3 As 2.3954653 0.3295667 0.5337121 0.5159961 2.4440458 -0.4774546 -0.1029862 -0.1555052 2.9804578 4 As 2.3954653 -0.3295667 0.5337121 -0.5159961 2.4440458 0.4774546 -0.1029862 0.1555052 2.9804578 5 As 3.0280508 -0.2560497 -0.2480846 -0.0793482 2.5646461 0.0563014 0.0936463 -0.0076471 2.6649477 6 As 3.0280508 0.2560497 -0.2480846 0.0793482 2.5646461 -0.0563014 0.0936463 0.0076471 2.6649477 7 As 3.0280508 -0.2560497 -0.2480846 -0.0793482 2.5646461 0.0563014 0.0936463 -0.0076471 2.6649477 8 As 3.0280508 0.2560497 -0.2480846 0.0793482 2.5646461 -0.0563014 0.0936463 0.0076471 2.6649477 9 Ir -5.4235162 -0.4178352 -0.2856276 -0.5165218 -5.0086919 0.3533594 0.0093399 0.1390142 -5.6454055 10 Ir -5.4235162 0.4178352 -0.2856276 0.5165218 -5.0086919 -0.3533594 0.0093399 -0.1390142 -5.6454055 11 Ir -5.4235162 -0.4178352 -0.2856276 -0.5165218 -5.0086919 0.3533594 0.0093399 0.1390142 -5.6454055 12 Ir -5.4235162 0.4178352 -0.2856276 0.5165218 -5.0086919 -0.3533594 0.0093399 -0.1390142 -5.6454055 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 01:38:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:38:49]------------------------- 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): [3 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.056342980255675 0.000000000000000 0.000000000000000 b 0.000000000000000 6.076286300000001 0.000000000000000 c -2.423466971333601 0.000000000000000 5.672310031695988 Atomic positions (fractional): 1 As 0.15437783414936 0.87281631314175 0.37586354343057 74.922 2 As 0.84562216585064 0.37281631314175 0.12413645656943 74.922 3 As 0.84562216585064 0.12718368685825 0.62413645656943 74.922 4 As 0.15437783414936 0.62718368685825 0.87586354343057 74.922 5 As 0.33812320740443 0.37014149519739 0.68594176234735 74.922 6 As 0.66187679259557 0.87014149519739 0.81405823765265 74.922 7 As 0.66187679259557 0.62985850480261 0.31405823765265 74.922 8 As 0.33812320740443 0.12985850480261 0.18594176234735 74.922 9 Ir 0.27242087926265 0.50028616650865 0.29318169738576 192.217 10 Ir 0.72757912073735 0.00028616650865 0.20681830261424 192.217 11 Ir 0.72757912073735 0.49971383349135 0.70681830261423 192.217 12 Ir 0.27242087926265 0.99971383349135 0.79318169738577 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.169028940767024 0.000000000000000 0.000000000000000 b 0.000000000000000 12.152572600000003 0.000000000000000 c -4.846933942667202 0.000000000000000 11.344620063391975 Atomic positions (fractional): 1 As 0.05145927804979 0.43640815657087 0.18793177171529 74.922 > 1 2 As 0.38479261138312 0.43640815657087 0.18793177171529 74.922 > 1 3 As 0.71812594471645 0.43640815657087 0.18793177171529 74.922 > 1 4 As 0.05145927804979 0.93640815657087 0.18793177171529 74.922 > 1 5 As 0.38479261138312 0.93640815657087 0.18793177171529 74.922 > 1 6 As 0.71812594471645 0.93640815657087 0.18793177171529 74.922 > 1 7 As 0.05145927804979 0.43640815657087 0.68793177171529 74.922 > 1 8 As 0.38479261138312 0.43640815657087 0.68793177171529 74.922 > 1 9 As 0.71812594471645 0.43640815657087 0.68793177171529 74.922 > 1 10 As 0.05145927804979 0.93640815657087 0.68793177171529 74.922 > 1 11 As 0.38479261138312 0.93640815657087 0.68793177171529 74.922 > 1 12 As 0.71812594471645 0.93640815657087 0.68793177171529 74.922 > 1 13 As 0.28187405528355 0.18640815657087 0.06206822828471 74.922 > 13 14 As 0.61520738861688 0.18640815657087 0.06206822828471 74.922 > 13 15 As 0.94854072195021 0.18640815657087 0.06206822828471 74.922 > 13 16 As 0.28187405528355 0.68640815657087 0.06206822828471 74.922 > 13 17 As 0.61520738861688 0.68640815657087 0.06206822828471 74.922 > 13 18 As 0.94854072195021 0.68640815657087 0.06206822828471 74.922 > 13 19 As 0.28187405528355 0.18640815657087 0.56206822828471 74.922 > 13 20 As 0.61520738861688 0.18640815657087 0.56206822828471 74.922 > 13 21 As 0.94854072195021 0.18640815657087 0.56206822828471 74.922 > 13 22 As 0.28187405528355 0.68640815657087 0.56206822828471 74.922 > 13 23 As 0.61520738861688 0.68640815657087 0.56206822828471 74.922 > 13 24 As 0.94854072195021 0.68640815657087 0.56206822828471 74.922 > 13 25 As 0.28187405528355 0.06359184342913 0.31206822828471 74.922 > 25 26 As 0.61520738861688 0.06359184342913 0.31206822828471 74.922 > 25 27 As 0.94854072195021 0.06359184342913 0.31206822828471 74.922 > 25 28 As 0.28187405528355 0.56359184342913 0.31206822828471 74.922 > 25 29 As 0.61520738861688 0.56359184342913 0.31206822828471 74.922 > 25 30 As 0.94854072195021 0.56359184342913 0.31206822828471 74.922 > 25 31 As 0.28187405528355 0.06359184342913 0.81206822828471 74.922 > 25 32 As 0.61520738861688 0.06359184342913 0.81206822828471 74.922 > 25 33 As 0.94854072195021 0.06359184342913 0.81206822828471 74.922 > 25 34 As 0.28187405528355 0.56359184342913 0.81206822828471 74.922 > 25 35 As 0.61520738861688 0.56359184342913 0.81206822828471 74.922 > 25 36 As 0.94854072195021 0.56359184342913 0.81206822828471 74.922 > 25 37 As 0.05145927804979 0.31359184342913 0.43793177171529 74.922 > 37 38 As 0.38479261138312 0.31359184342913 0.43793177171529 74.922 > 37 39 As 0.71812594471645 0.31359184342913 0.43793177171529 74.922 > 37 40 As 0.05145927804979 0.81359184342913 0.43793177171529 74.922 > 37 41 As 0.38479261138312 0.81359184342913 0.43793177171529 74.922 > 37 42 As 0.71812594471645 0.81359184342913 0.43793177171529 74.922 > 37 43 As 0.05145927804979 0.31359184342913 0.93793177171529 74.922 > 37 44 As 0.38479261138312 0.31359184342913 0.93793177171529 74.922 > 37 45 As 0.71812594471645 0.31359184342913 0.93793177171529 74.922 > 37 46 As 0.05145927804979 0.81359184342913 0.93793177171529 74.922 > 37 47 As 0.38479261138312 0.81359184342913 0.93793177171529 74.922 > 37 48 As 0.71812594471645 0.81359184342913 0.93793177171529 74.922 > 37 49 As 0.11270773580148 0.18507074759869 0.34297088117368 74.922 > 49 50 As 0.44604106913481 0.18507074759869 0.34297088117368 74.922 > 49 51 As 0.77937440246814 0.18507074759869 0.34297088117368 74.922 > 49 52 As 0.11270773580148 0.68507074759869 0.34297088117368 74.922 > 49 53 As 0.44604106913481 0.68507074759869 0.34297088117368 74.922 > 49 54 As 0.77937440246814 0.68507074759869 0.34297088117368 74.922 > 49 55 As 0.11270773580148 0.18507074759869 0.84297088117368 74.922 > 49 56 As 0.44604106913481 0.18507074759869 0.84297088117368 74.922 > 49 57 As 0.77937440246814 0.18507074759869 0.84297088117368 74.922 > 49 58 As 0.11270773580148 0.68507074759869 0.84297088117368 74.922 > 49 59 As 0.44604106913481 0.68507074759869 0.84297088117368 74.922 > 49 60 As 0.77937440246814 0.68507074759869 0.84297088117368 74.922 > 49 61 As 0.22062559753186 0.43507074759869 0.40702911882632 74.922 > 61 62 As 0.55395893086519 0.43507074759869 0.40702911882632 74.922 > 61 63 As 0.88729226419852 0.43507074759869 0.40702911882632 74.922 > 61 64 As 0.22062559753186 0.93507074759869 0.40702911882632 74.922 > 61 65 As 0.55395893086519 0.93507074759869 0.40702911882632 74.922 > 61 66 As 0.88729226419852 0.93507074759869 0.40702911882632 74.922 > 61 67 As 0.22062559753186 0.43507074759869 0.90702911882632 74.922 > 61 68 As 0.55395893086519 0.43507074759869 0.90702911882632 74.922 > 61 69 As 0.88729226419852 0.43507074759869 0.90702911882632 74.922 > 61 70 As 0.22062559753186 0.93507074759869 0.90702911882632 74.922 > 61 71 As 0.55395893086519 0.93507074759869 0.90702911882632 74.922 > 61 72 As 0.88729226419852 0.93507074759869 0.90702911882632 74.922 > 61 73 As 0.22062559753186 0.31492925240131 0.15702911882632 74.922 > 73 74 As 0.55395893086519 0.31492925240131 0.15702911882632 74.922 > 73 75 As 0.88729226419852 0.31492925240131 0.15702911882632 74.922 > 73 76 As 0.22062559753186 0.81492925240131 0.15702911882632 74.922 > 73 77 As 0.55395893086519 0.81492925240131 0.15702911882632 74.922 > 73 78 As 0.88729226419852 0.81492925240131 0.15702911882632 74.922 > 73 79 As 0.22062559753186 0.31492925240131 0.65702911882632 74.922 > 73 80 As 0.55395893086519 0.31492925240131 0.65702911882632 74.922 > 73 81 As 0.88729226419852 0.31492925240131 0.65702911882632 74.922 > 73 82 As 0.22062559753186 0.81492925240131 0.65702911882632 74.922 > 73 83 As 0.55395893086519 0.81492925240131 0.65702911882632 74.922 > 73 84 As 0.88729226419852 0.81492925240131 0.65702911882632 74.922 > 73 85 As 0.11270773580148 0.06492925240131 0.09297088117368 74.922 > 85 86 As 0.44604106913481 0.06492925240131 0.09297088117368 74.922 > 85 87 As 0.77937440246814 0.06492925240131 0.09297088117368 74.922 > 85 88 As 0.11270773580148 0.56492925240131 0.09297088117368 74.922 > 85 89 As 0.44604106913481 0.56492925240131 0.09297088117368 74.922 > 85 90 As 0.77937440246814 0.56492925240131 0.09297088117368 74.922 > 85 91 As 0.11270773580148 0.06492925240131 0.59297088117368 74.922 > 85 92 As 0.44604106913481 0.06492925240131 0.59297088117368 74.922 > 85 93 As 0.77937440246814 0.06492925240131 0.59297088117368 74.922 > 85 94 As 0.11270773580148 0.56492925240131 0.59297088117368 74.922 > 85 95 As 0.44604106913481 0.56492925240131 0.59297088117368 74.922 > 85 96 As 0.77937440246814 0.56492925240131 0.59297088117368 74.922 > 85 97 Ir 0.09080695975422 0.25014308325433 0.14659084869288 192.217 > 97 98 Ir 0.42414029308755 0.25014308325433 0.14659084869288 192.217 > 97 99 Ir 0.75747362642088 0.25014308325433 0.14659084869288 192.217 > 97 100 Ir 0.09080695975422 0.75014308325433 0.14659084869288 192.217 > 97 101 Ir 0.42414029308755 0.75014308325433 0.14659084869288 192.217 > 97 102 Ir 0.75747362642088 0.75014308325433 0.14659084869288 192.217 > 97 103 Ir 0.09080695975422 0.25014308325433 0.64659084869288 192.217 > 97 104 Ir 0.42414029308755 0.25014308325433 0.64659084869288 192.217 > 97 105 Ir 0.75747362642088 0.25014308325433 0.64659084869288 192.217 > 97 106 Ir 0.09080695975422 0.75014308325433 0.64659084869288 192.217 > 97 107 Ir 0.42414029308755 0.75014308325433 0.64659084869288 192.217 > 97 108 Ir 0.75747362642088 0.75014308325433 0.64659084869288 192.217 > 97 109 Ir 0.24252637357912 0.00014308325433 0.10340915130712 192.217 > 109 110 Ir 0.57585970691245 0.00014308325433 0.10340915130712 192.217 > 109 111 Ir 0.90919304024578 0.00014308325433 0.10340915130712 192.217 > 109 112 Ir 0.24252637357912 0.50014308325433 0.10340915130712 192.217 > 109 113 Ir 0.57585970691245 0.50014308325433 0.10340915130712 192.217 > 109 114 Ir 0.90919304024578 0.50014308325433 0.10340915130712 192.217 > 109 115 Ir 0.24252637357912 0.00014308325433 0.60340915130712 192.217 > 109 116 Ir 0.57585970691245 0.00014308325433 0.60340915130712 192.217 > 109 117 Ir 0.90919304024578 0.00014308325433 0.60340915130712 192.217 > 109 118 Ir 0.24252637357912 0.50014308325433 0.60340915130712 192.217 > 109 119 Ir 0.57585970691245 0.50014308325433 0.60340915130712 192.217 > 109 120 Ir 0.90919304024578 0.50014308325433 0.60340915130712 192.217 > 109 121 Ir 0.24252637357912 0.24985691674567 0.35340915130712 192.217 > 121 122 Ir 0.57585970691245 0.24985691674567 0.35340915130712 192.217 > 121 123 Ir 0.90919304024578 0.24985691674567 0.35340915130712 192.217 > 121 124 Ir 0.24252637357912 0.74985691674567 0.35340915130712 192.217 > 121 125 Ir 0.57585970691245 0.74985691674567 0.35340915130712 192.217 > 121 126 Ir 0.90919304024578 0.74985691674567 0.35340915130712 192.217 > 121 127 Ir 0.24252637357912 0.24985691674567 0.85340915130712 192.217 > 121 128 Ir 0.57585970691245 0.24985691674567 0.85340915130712 192.217 > 121 129 Ir 0.90919304024578 0.24985691674567 0.85340915130712 192.217 > 121 130 Ir 0.24252637357912 0.74985691674567 0.85340915130712 192.217 > 121 131 Ir 0.57585970691245 0.74985691674567 0.85340915130712 192.217 > 121 132 Ir 0.90919304024578 0.74985691674567 0.85340915130712 192.217 > 121 133 Ir 0.09080695975422 0.49985691674567 0.39659084869288 192.217 > 133 134 Ir 0.42414029308755 0.49985691674567 0.39659084869288 192.217 > 133 135 Ir 0.75747362642088 0.49985691674567 0.39659084869288 192.217 > 133 136 Ir 0.09080695975422 0.99985691674567 0.39659084869288 192.217 > 133 137 Ir 0.42414029308755 0.99985691674567 0.39659084869288 192.217 > 133 138 Ir 0.75747362642088 0.99985691674567 0.39659084869288 192.217 > 133 139 Ir 0.09080695975422 0.49985691674567 0.89659084869288 192.217 > 133 140 Ir 0.42414029308755 0.49985691674567 0.89659084869288 192.217 > 133 141 Ir 0.75747362642088 0.49985691674567 0.89659084869288 192.217 > 133 142 Ir 0.09080695975422 0.99985691674567 0.89659084869288 192.217 > 133 143 Ir 0.42414029308755 0.99985691674567 0.89659084869288 192.217 > 133 144 Ir 0.75747362642088 0.99985691674567 0.89659084869288 192.217 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 19.2465515 0.0000000 -0.1242446 0.0000000 21.5282377 0.0000000 -0.1242120 0.0000000 18.9616085 -------------------------- Born effective charges -------------------------- 1 As 2.3954653 0.3295667 0.5337121 0.5159961 2.4440458 -0.4774546 -0.1029862 -0.1555052 2.9804578 2 As 2.3954653 -0.3295667 0.5337121 -0.5159961 2.4440458 0.4774546 -0.1029862 0.1555052 2.9804578 3 As 2.3954653 0.3295667 0.5337121 0.5159961 2.4440458 -0.4774546 -0.1029862 -0.1555052 2.9804578 4 As 2.3954653 -0.3295667 0.5337121 -0.5159961 2.4440458 0.4774546 -0.1029862 0.1555052 2.9804578 5 As 3.0280508 -0.2560497 -0.2480846 -0.0793482 2.5646461 0.0563014 0.0936463 -0.0076471 2.6649477 6 As 3.0280508 0.2560497 -0.2480846 0.0793482 2.5646461 -0.0563014 0.0936463 0.0076471 2.6649477 7 As 3.0280508 -0.2560497 -0.2480846 -0.0793482 2.5646461 0.0563014 0.0936463 -0.0076471 2.6649477 8 As 3.0280508 0.2560497 -0.2480846 0.0793482 2.5646461 -0.0563014 0.0936463 0.0076471 2.6649477 9 Ir -5.4235162 -0.4178352 -0.2856276 -0.5165218 -5.0086919 0.3533594 0.0093399 0.1390142 -5.6454055 10 Ir -5.4235162 0.4178352 -0.2856276 0.5165218 -5.0086919 -0.3533594 0.0093399 -0.1390142 -5.6454055 11 Ir -5.4235162 -0.4178352 -0.2856276 -0.5165218 -5.0086919 0.3533594 0.0093399 0.1390142 -5.6454055 12 Ir -5.4235162 0.4178352 -0.2856276 0.5165218 -5.0086919 -0.3533594 0.0093399 -0.1390142 -5.6454055 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) 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 ... [ 9 8 9 ] 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: 0.70, Number of G-points: 297, Lambda: 0.33 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/205) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.408 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.173 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/205) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 22.065 0.000 15.809) 27.144 0.567 ( 28.991 0.000 3.828) 29.242 1.064 ( 48.532 0.000 18.888) 52.078 3.046 ( -1.294 0.000 -2.285) 2.626 3.088 ( 6.091 0.000 -3.090) 6.830 3.516 ( 0.012 0.000 -2.027) 2.027 3.596 ( 3.248 0.000 6.529) 7.293 3.670 ( 2.976 0.000 -2.103) 3.644 3.922 ( 1.762 0.000 0.654) 1.879 4.710 ( -3.406 0.000 -0.499) 3.442 4.982 ( -2.562 0.000 -2.511) 3.588 5.109 ( -4.894 0.000 -1.710) 5.184 5.408 ( 0.095 0.000 -1.543) 1.545 5.418 ( 0.511 0.000 -4.417) 4.447 5.615 ( 1.277 0.000 2.017) 2.388 5.703 ( -1.377 0.000 -6.212) 6.363 5.859 ( 5.260 0.000 -0.476) 5.281 5.935 ( -6.576 0.000 0.492) 6.594 6.125 ( 0.536 0.000 -0.165) 0.560 6.739 ( 0.071 0.000 -0.598) 0.602 6.830 ( 3.983 0.000 2.098) 4.502 6.961 ( -8.201 0.000 11.978) 14.516 6.996 ( -1.697 0.000 -1.747) 2.435 7.115 ( -1.633 0.000 -0.316) 1.663 7.208 ( 1.909 0.000 1.145) 2.226 7.388 ( -1.842 0.000 2.783) 3.337 7.614 ( -7.305 0.000 14.515) 16.249 7.635 ( 1.068 0.000 -0.893) 1.393 7.810 ( 4.238 0.000 -2.694) 5.022 7.950 ( 3.230 0.000 1.263) 3.468 8.036 ( -3.051 0.000 9.665) 10.135 8.434 ( 0.057 0.000 -0.974) 0.976 8.490 ( 0.846 0.000 -0.311) 0.901 8.925 ( 4.914 0.000 -13.405) 14.277 8.951 ( 1.153 0.000 0.751) 1.376 9.547 ( -1.213 0.000 -0.342) 1.260 ======================= Grid point 2 (3/205) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 20.706 0.000 14.709) 25.399 1.119 ( 27.829 0.000 3.714) 28.076 2.045 ( 41.073 0.000 18.335) 44.980 2.979 ( -2.246 0.000 -4.765) 5.268 3.102 ( -4.148 0.000 -3.368) 5.344 3.578 ( 10.899 0.000 -4.468) 11.779 3.739 ( 7.043 0.000 -3.446) 7.841 3.753 ( 6.476 0.000 9.967) 11.886 3.987 ( 4.358 0.000 2.427) 4.988 4.616 ( -7.194 0.000 1.714) 7.396 4.876 ( -5.637 0.000 -5.784) 8.077 4.975 ( -6.948 0.000 -3.822) 7.930 5.371 ( -2.864 0.000 -1.807) 3.386 5.381 ( -0.120 0.000 -5.688) 5.689 5.618 ( -4.222 0.000 -2.908) 5.126 5.619 ( -3.784 0.000 -1.499) 4.070 5.840 ( -3.089 0.000 4.999) 5.876 5.969 ( 3.946 0.000 7.302) 8.300 6.137 ( 0.627 0.000 0.257) 0.678 6.732 ( 0.175 0.000 -2.251) 2.257 6.892 ( -5.937 0.000 4.039) 7.180 6.908 ( -0.596 0.000 -1.637) 1.743 6.961 ( 2.460 0.000 1.317) 2.790 7.077 ( -2.236 0.000 0.461) 2.283 7.257 ( 2.271 0.000 1.030) 2.494 7.376 ( -2.138 0.000 3.828) 4.385 7.587 ( -5.203 0.000 8.329) 9.821 7.647 ( 0.909 0.000 -1.004) 1.354 7.879 ( 5.666 0.000 -4.030) 6.953 8.042 ( 5.014 0.000 2.218) 5.483 8.065 ( -0.659 0.000 6.425) 6.458 8.424 ( 0.011 0.000 -1.888) 1.888 8.507 ( 1.246 0.000 -0.426) 1.316 8.906 ( 1.499 0.000 -6.242) 6.420 8.987 ( 1.714 0.000 1.216) 2.101 9.513 ( -2.005 0.000 -0.584) 2.088 ======================= Grid point 3 (4/205) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 18.061 0.000 12.533) 21.984 1.640 ( 25.734 0.000 3.540) 25.977 2.616 ( 0.603 0.000 3.304) 3.358 2.900 ( -13.775 0.000 -3.143) 14.129 3.114 ( 27.017 0.000 7.088) 27.931 3.791 ( 13.307 0.000 -2.698) 13.578 3.871 ( 10.238 0.000 -4.058) 11.012 3.954 ( 7.505 0.000 4.838) 8.929 4.138 ( 8.237 0.000 7.632) 11.229 4.478 ( -9.809 0.000 2.922) 10.235 4.679 ( -9.667 0.000 -9.133) 13.299 4.803 ( -7.385 0.000 -6.131) 9.598 5.277 ( -5.185 0.000 -2.268) 5.659 5.330 ( -1.143 0.000 -3.989) 4.150 5.462 ( -9.541 0.000 -1.513) 9.660 5.505 ( -5.323 0.000 -2.388) 5.834 5.905 ( 3.727 0.000 5.401) 6.562 6.116 ( 4.387 0.000 10.234) 11.135 6.148 ( -0.147 0.000 0.771) 0.785 6.695 ( -1.027 0.000 -6.733) 6.811 6.819 ( -4.278 0.000 2.776) 5.100 6.824 ( -3.847 0.000 -3.637) 5.294 7.050 ( -1.344 0.000 1.284) 1.859 7.055 ( 3.931 0.000 2.175) 4.493 7.303 ( 1.916 0.000 0.566) 1.998 7.372 ( -1.330 0.000 3.199) 3.465 7.558 ( -3.538 0.000 5.036) 6.155 7.651 ( 0.291 0.000 -0.706) 0.764 7.942 ( 4.195 0.000 -3.345) 5.365 8.107 ( 0.378 0.000 4.434) 4.450 8.158 ( 5.170 0.000 2.872) 5.914 8.401 ( -0.718 0.000 -2.659) 2.754 8.526 ( 1.099 0.000 -0.329) 1.147 8.886 ( 0.427 0.000 -3.243) 3.270 9.027 ( 1.540 0.000 1.183) 1.942 9.470 ( -1.974 0.000 -0.611) 2.066 ======================= Grid point 4 (5/205) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 10.831 0.000 7.172) 12.990 2.104 ( 20.811 0.000 3.061) 21.035 2.474 ( -7.618 0.000 -3.770) 8.500 2.581 ( -17.004 0.000 -2.929) 17.255 3.730 ( 23.955 0.000 11.718) 26.667 3.969 ( 5.798 0.000 0.071) 5.799 4.031 ( 9.935 0.000 -3.467) 10.523 4.076 ( 3.461 0.000 0.274) 3.472 4.288 ( -14.078 0.000 -1.824) 14.196 4.379 ( 9.192 0.000 9.821) 13.451 4.401 ( -9.823 0.000 -5.685) 11.349 4.609 ( -7.583 0.000 -8.671) 11.519 5.184 ( -2.323 0.000 -1.191) 2.610 5.285 ( -1.067 0.000 -1.295) 1.678 5.303 ( -5.731 0.000 -0.176) 5.734 5.416 ( -2.256 0.000 -0.991) 2.464 6.016 ( 4.018 0.000 2.377) 4.668 6.132 ( -1.970 0.000 0.382) 2.007 6.266 ( 3.151 0.000 7.011) 7.687 6.599 ( -2.344 0.000 -6.025) 6.465 6.742 ( -1.936 0.000 -1.890) 2.706 6.788 ( -1.107 0.000 1.237) 1.660 7.044 ( -0.350 0.000 0.650) 0.738 7.119 ( 1.499 0.000 0.783) 1.691 7.331 ( 0.789 0.000 0.160) 0.805 7.374 ( -0.406 0.000 1.255) 1.319 7.540 ( -1.275 0.000 1.721) 2.142 7.649 ( 0.017 0.000 -0.251) 0.252 7.976 ( 1.466 0.000 -1.224) 1.910 8.139 ( 0.315 0.000 1.584) 1.615 8.268 ( 4.051 0.000 3.205) 5.166 8.352 ( -2.280 0.000 -3.136) 3.878 8.539 ( 0.446 0.000 -0.119) 0.462 8.873 ( 0.077 0.000 -1.032) 1.035 9.056 ( 0.644 0.000 0.515) 0.824 9.438 ( -0.860 0.000 -0.283) 0.905 ======================= Grid point 9 (6/205) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 0.000 26.314 0.000) 26.314 0.742 ( 0.000 35.475 0.000) 35.475 1.210 ( 0.000 57.114 0.000) 57.114 3.101 ( 0.000 6.595 0.000) 6.595 3.129 ( 0.000 5.509 0.000) 5.509 3.433 ( 0.000 -9.216 0.000) 9.216 3.584 ( 0.000 4.717 0.000) 4.717 3.688 ( 0.000 3.040 0.000) 3.040 3.933 ( 0.000 -8.727 0.000) 8.727 4.713 ( 0.000 -1.685 0.000) 1.685 4.940 ( 0.000 -6.651 0.000) 6.651 5.082 ( 0.000 -7.729 0.000) 7.729 5.459 ( 0.000 2.061 0.000) 2.061 5.576 ( 0.000 -1.862 0.000) 1.862 5.603 ( 0.000 -2.123 0.000) 2.123 5.683 ( 0.000 -1.518 0.000) 1.518 5.756 ( 0.000 -1.746 0.000) 1.746 5.949 ( 0.000 -4.634 0.000) 4.634 6.162 ( 0.000 0.600 0.000) 0.600 6.539 ( 0.000 -1.920 0.000) 1.920 6.781 ( 0.000 3.482 0.000) 3.482 6.903 ( 0.000 1.089 0.000) 1.089 7.007 ( 0.000 -1.044 0.000) 1.044 7.095 ( 0.000 -3.162 0.000) 3.162 7.177 ( 0.000 -0.144 0.000) 0.144 7.177 ( 0.000 0.068 0.000) 0.068 7.641 ( 0.000 1.501 0.000) 1.501 7.653 ( 0.000 3.861 0.000) 3.861 7.837 ( 0.000 5.162 0.000) 5.162 7.946 ( 0.000 2.483 0.000) 2.483 7.950 ( 0.000 4.027 0.000) 4.027 8.423 ( 0.000 -1.405 0.000) 1.405 8.515 ( 0.000 3.037 0.000) 3.037 8.857 ( 0.000 -0.592 0.000) 0.592 9.131 ( 0.000 0.026 0.000) 0.026 9.536 ( 0.000 -2.259 0.000) 2.259 ======================= Grid point 10 (7/205) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 11.982 24.576 15.389) 31.375 1.002 ( 21.641 23.652 10.710) 33.800 1.499 ( 29.957 41.420 4.359) 51.304 3.103 ( -0.764 5.353 -1.924) 5.740 3.168 ( 6.068 7.255 -3.708) 10.159 3.483 ( 2.790 -8.771 4.799) 10.380 3.568 ( -0.142 3.464 -0.591) 3.517 3.711 ( 3.545 3.549 -1.792) 5.327 3.893 ( -1.274 -5.480 0.070) 5.627 4.696 ( -2.589 -1.282 0.530) 2.937 4.896 ( -4.022 -7.442 -1.385) 8.572 5.047 ( -2.042 -6.227 -3.900) 7.626 5.403 ( -4.400 0.246 -1.909) 4.803 5.481 ( -2.042 2.664 -3.043) 4.531 5.602 ( -1.736 -1.580 2.506) 3.433 5.647 ( -0.095 -4.697 -4.580) 6.561 5.831 ( 3.542 -2.279 1.322) 4.415 5.912 ( -3.384 -2.393 0.848) 4.231 6.141 ( -0.516 1.606 0.511) 1.763 6.720 ( 4.566 -7.742 8.221) 12.181 6.775 ( -0.972 2.123 2.071) 3.121 6.917 ( -0.470 -0.172 1.254) 1.350 7.027 ( -1.152 -1.834 4.288) 4.804 7.057 ( -2.367 -0.309 -2.842) 3.711 7.189 ( 1.479 -1.886 2.211) 3.261 7.300 ( 6.519 -4.830 4.399) 9.229 7.567 ( -5.261 2.350 4.161) 7.108 7.711 ( 2.143 3.232 -0.556) 3.918 7.862 ( 3.775 4.855 -2.661) 6.701 7.966 ( 1.996 1.777 2.214) 3.470 8.010 ( 3.332 1.750 2.422) 4.475 8.426 ( 0.663 -1.163 -1.434) 1.961 8.521 ( 0.740 2.957 -0.340) 3.067 8.864 ( 1.498 -1.375 -2.050) 2.888 9.079 ( -2.196 3.500 -2.802) 4.993 9.523 ( -1.250 -2.299 -0.360) 2.642 ======================= Grid point 11 (8/205) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 15.152 18.092 15.910) 28.461 1.458 ( 21.622 23.551 5.097) 32.375 2.230 ( 35.995 18.800 13.211) 42.703 3.047 ( -1.648 6.434 -4.597) 8.078 3.190 ( -3.092 8.295 -3.714) 9.600 3.567 ( 7.364 -1.900 -1.621) 7.776 3.671 ( 7.437 -6.106 6.467) 11.594 3.809 ( 9.584 5.458 -2.515) 11.312 3.919 ( 2.928 -6.351 2.229) 7.340 4.625 ( -6.140 0.633 2.217) 6.559 4.776 ( -6.672 -8.301 -3.749) 11.290 4.951 ( -3.934 -3.384 -6.705) 8.479 5.320 ( -3.602 -3.230 -1.817) 5.168 5.413 ( -2.925 1.012 -4.062) 5.107 5.532 ( -6.175 -5.843 -0.114) 8.502 5.608 ( -2.699 -3.297 -4.897) 6.491 5.847 ( -1.324 0.721 5.535) 5.737 5.956 ( 3.292 -1.185 7.522) 8.296 6.149 ( 0.612 1.516 1.002) 1.917 6.761 ( 0.089 2.366 -1.766) 2.953 6.821 ( -0.174 -5.535 6.002) 8.167 6.896 ( -1.475 -0.876 -1.933) 2.584 6.979 ( -3.088 -0.658 -3.408) 4.645 7.045 ( 0.325 0.374 4.527) 4.554 7.236 ( 1.846 -2.008 1.453) 3.091 7.403 ( 1.040 -0.769 4.395) 4.582 7.524 ( -3.163 -0.283 4.414) 5.438 7.726 ( -0.036 4.608 0.077) 4.609 7.922 ( 5.238 4.080 -3.985) 7.744 8.038 ( 2.664 0.386 3.871) 4.715 8.087 ( 2.876 1.898 3.143) 4.664 8.421 ( 0.305 -0.590 -2.190) 2.288 8.535 ( 1.143 2.758 -0.490) 3.026 8.873 ( 1.480 -1.796 -2.949) 3.757 9.043 ( -0.402 3.187 -0.516) 3.253 9.488 ( -2.028 -2.364 -0.602) 3.173 ======================= Grid point 12 (9/205) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 15.566 12.673 13.816) 24.368 1.888 ( 21.562 19.594 3.357) 29.328 2.694 ( -0.858 7.834 0.962) 7.939 3.002 ( -12.451 9.363 -2.571) 15.789 3.212 ( 26.266 9.630 6.810) 28.793 3.733 ( 11.360 -3.251 -3.464) 12.314 3.859 ( 6.588 -5.533 6.355) 10.696 4.002 ( 11.076 5.427 -3.550) 12.835 4.052 ( 9.717 -6.633 6.030) 13.220 4.510 ( -8.671 2.462 3.246) 9.580 4.601 ( -7.789 -6.740 -6.721) 12.299 4.795 ( -6.566 -1.239 -8.892) 11.123 5.225 ( -5.212 -4.925 -1.550) 7.336 5.316 ( -4.528 -1.272 -2.923) 5.537 5.398 ( -7.409 -5.450 0.004) 9.198 5.474 ( -6.363 -3.510 -4.386) 8.488 5.917 ( 3.249 1.055 5.039) 6.088 6.083 ( 2.605 -1.967 7.788) 8.444 6.183 ( 1.825 2.441 3.591) 4.710 6.721 ( -1.334 2.163 -6.666) 7.134 6.818 ( -1.966 0.691 -0.386) 2.119 6.841 ( -4.086 0.106 1.219) 4.265 6.925 ( -0.513 -6.311 -0.141) 6.333 7.107 ( 2.469 1.451 2.958) 4.117 7.276 ( 1.454 -2.492 0.783) 2.989 7.432 ( -0.412 3.773 2.964) 4.815 7.512 ( -1.818 -2.168 3.356) 4.390 7.719 ( -0.583 4.952 0.021) 4.986 7.980 ( 4.050 3.523 -3.465) 6.389 8.106 ( 1.074 0.149 4.250) 4.386 8.176 ( 4.234 1.385 2.706) 5.212 8.400 ( -0.594 -0.276 -2.753) 2.830 8.553 ( 1.043 2.576 -0.397) 2.808 8.871 ( 0.702 -1.175 -2.363) 2.731 9.048 ( 0.541 1.521 0.659) 1.743 9.445 ( -1.938 -2.351 -0.608) 3.107 ======================= Grid point 13 (10/205) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 10.132 10.023 8.184) 16.435 2.287 ( 18.159 15.894 2.249) 24.237 2.544 ( -6.949 7.115 -4.177) 10.787 2.709 ( -15.927 11.374 -2.569) 19.739 3.789 ( 20.978 5.423 11.363) 24.466 3.891 ( 9.095 -4.131 -4.413) 10.921 3.982 ( 1.189 -5.722 5.330) 7.910 4.158 ( 6.943 5.766 -1.161) 9.100 4.273 ( 1.832 -4.888 -1.137) 5.343 4.349 ( -3.697 -2.052 1.475) 4.478 4.425 ( -5.752 3.563 -0.449) 6.781 4.574 ( -8.823 -2.191 -9.506) 13.154 5.144 ( -1.405 -4.381 -0.150) 4.603 5.200 ( -5.418 -4.882 -1.091) 7.374 5.299 ( -3.165 -2.648 0.171) 4.130 5.359 ( -2.440 -5.298 -1.876) 6.127 6.010 ( 2.943 -0.559 1.793) 3.492 6.129 ( -0.813 -0.243 1.862) 2.046 6.282 ( 2.719 1.442 5.531) 6.330 6.629 ( -1.910 2.646 -5.461) 6.362 6.753 ( -2.102 0.907 -1.661) 2.828 6.815 ( -0.808 2.418 1.195) 2.816 6.928 ( 0.051 -7.435 0.553) 7.456 7.160 ( 1.192 1.389 1.028) 2.099 7.299 ( 0.578 -2.937 0.237) 3.003 7.444 ( -0.075 5.612 1.110) 5.722 7.506 ( -0.771 -2.495 1.242) 2.891 7.710 ( -0.319 4.793 -0.030) 4.804 8.012 ( 1.447 3.283 -1.313) 3.821 8.142 ( 0.341 0.278 1.672) 1.729 8.274 ( 3.682 0.446 3.044) 4.799 8.352 ( -2.120 -0.025 -3.093) 3.749 8.565 ( 0.428 2.476 -0.149) 2.517 8.866 ( 0.184 -0.674 -0.851) 1.101 9.062 ( 0.349 0.537 0.386) 0.747 9.414 ( -0.824 -2.267 -0.273) 2.428 ======================= Grid point 18 (11/205) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 26.574 0.000) 26.574 1.449 ( 0.000 33.014 0.000) 33.014 2.309 ( 0.000 48.333 0.000) 48.333 3.075 ( 0.000 -15.758 0.000) 15.758 3.282 ( 0.000 10.326 0.000) 10.326 3.384 ( 0.000 9.498 0.000) 9.498 3.651 ( 0.000 -12.783 0.000) 12.783 3.728 ( 0.000 9.234 0.000) 9.234 3.809 ( 0.000 3.512 0.000) 3.512 4.653 ( 0.000 -4.582 0.000) 4.582 4.770 ( 0.000 -9.303 0.000) 9.303 4.863 ( 0.000 -13.176 0.000) 13.176 5.429 ( 0.000 -6.355 0.000) 6.355 5.495 ( 0.000 -6.195 0.000) 6.195 5.571 ( 0.000 -0.153 0.000) 0.153 5.638 ( 0.000 -3.132 0.000) 3.132 5.725 ( 0.000 -0.710 0.000) 0.710 5.846 ( 0.000 -4.387 0.000) 4.387 6.189 ( 0.000 2.121 0.000) 2.121 6.485 ( 0.000 -3.259 0.000) 3.259 6.866 ( 0.000 4.333 0.000) 4.333 6.941 ( 0.000 2.589 0.000) 2.589 6.987 ( 0.000 -0.632 0.000) 0.632 7.026 ( 0.000 -3.123 0.000) 3.123 7.170 ( 0.000 -0.364 0.000) 0.364 7.180 ( 0.000 -0.118 0.000) 0.118 7.693 ( 0.000 3.426 0.000) 3.426 7.745 ( 0.000 4.589 0.000) 4.589 7.969 ( 0.000 7.009 0.000) 7.009 8.002 ( 0.000 2.695 0.000) 2.695 8.040 ( 0.000 4.049 0.000) 4.049 8.380 ( 0.000 -2.805 0.000) 2.805 8.600 ( 0.000 4.903 0.000) 4.903 8.839 ( 0.000 -1.087 0.000) 1.087 9.138 ( 0.000 0.879 0.000) 0.879 9.469 ( 0.000 -4.157 0.000) 4.157 ======================= Grid point 19 (12/205) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 15.759 22.174 13.064) 30.178 1.558 ( 9.448 29.476 7.136) 31.765 2.434 ( 13.252 44.106 0.720) 46.059 3.134 ( 4.151 -12.419 4.253) 13.768 3.312 ( 3.203 7.376 -2.230) 8.345 3.396 ( 3.232 9.532 -3.539) 10.669 3.657 ( 0.574 -11.951 0.741) 11.988 3.695 ( -2.921 7.913 -0.231) 8.438 3.841 ( 4.378 5.412 -1.050) 7.040 4.650 ( -1.004 -3.639 1.276) 3.985 4.703 ( -6.684 -10.915 1.108) 12.847 4.867 ( 2.355 -10.683 -6.462) 12.705 5.355 ( -5.750 -5.470 -1.680) 8.112 5.499 ( -0.655 -3.490 -1.621) 3.903 5.527 ( -5.003 -3.763 -3.296) 7.075 5.549 ( -3.119 -4.043 -0.844) 5.175 5.793 ( 2.758 -0.921 4.280) 5.175 5.852 ( 0.188 -2.768 2.438) 3.694 6.192 ( -0.300 3.258 1.953) 3.810 6.577 ( 4.084 -5.874 7.197) 10.147 6.838 ( -2.612 3.315 2.474) 4.892 6.940 ( -0.208 1.592 -2.934) 3.345 6.981 ( -0.032 -1.022 -1.066) 1.477 7.071 ( 2.329 -0.170 1.347) 2.696 7.141 ( -2.079 -1.766 4.368) 5.150 7.243 ( 4.945 -1.471 -0.506) 5.184 7.649 ( -3.921 4.836 2.100) 6.571 7.781 ( 2.659 3.375 -1.047) 4.423 7.989 ( 2.878 6.828 -2.006) 7.677 8.017 ( 1.052 2.648 1.699) 3.317 8.069 ( 2.228 3.046 1.327) 4.000 8.387 ( 1.292 -2.582 -1.610) 3.306 8.604 ( 0.557 4.815 -0.339) 4.859 8.839 ( 0.363 -1.193 -0.788) 1.475 9.121 ( -1.315 1.520 -0.584) 2.093 9.455 ( -1.308 -4.185 -0.396) 4.402 ======================= Grid point 20 (13/205) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 11.184 23.623 13.801) 29.557 1.911 ( 18.602 20.667 9.855) 29.500 2.780 ( 19.290 30.372 4.499) 36.260 3.224 ( 2.917 7.921 -1.390) 8.555 3.395 ( 7.022 -9.490 6.482) 13.468 3.421 ( 0.171 12.380 -5.075) 13.381 3.644 ( 2.417 0.727 -3.958) 4.694 3.716 ( 3.325 -9.004 3.546) 10.233 3.967 ( 10.590 7.780 -2.030) 13.297 4.564 ( -8.062 -11.679 -1.294) 14.250 4.629 ( -3.015 -0.832 2.722) 4.147 4.836 ( 0.880 -7.329 -9.235) 11.823 5.225 ( -6.811 -6.310 -1.738) 9.446 5.390 ( -7.299 -4.869 -0.485) 8.787 5.423 ( -5.615 -2.574 -2.145) 6.539 5.487 ( -2.363 -8.019 -5.870) 10.215 5.867 ( 1.225 1.114 6.023) 6.247 5.923 ( 3.111 -1.801 7.531) 8.345 6.208 ( 0.087 4.082 2.577) 4.828 6.686 ( 2.016 -6.621 5.900) 9.094 6.822 ( -1.110 2.847 0.830) 3.167 6.887 ( -2.110 0.195 -3.268) 3.895 6.957 ( -1.227 -0.405 -3.503) 3.734 7.097 ( 0.159 3.390 3.324) 4.751 7.174 ( 0.977 -3.926 3.256) 5.193 7.336 ( 3.955 -3.398 2.073) 5.612 7.602 ( -2.891 5.589 2.211) 6.670 7.810 ( 0.967 3.252 -0.222) 3.400 8.033 ( 4.034 6.201 -3.513) 8.189 8.065 ( 1.722 1.898 3.331) 4.203 8.129 ( 2.672 1.834 2.245) 3.942 8.395 ( 1.171 -1.953 -2.545) 3.415 8.615 ( 0.939 4.662 -0.511) 4.783 8.841 ( 0.818 -1.339 -1.383) 2.091 9.093 ( -1.186 1.953 -0.200) 2.293 9.419 ( -2.037 -4.199 -0.622) 4.708 ======================= Grid point 21 (14/205) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 11.399 20.838 13.043) 27.098 2.311 ( 17.775 19.726 6.525) 27.343 2.933 ( -4.085 14.597 -3.899) 15.651 3.258 ( -9.875 14.727 -1.670) 17.809 3.494 ( 21.009 15.340 6.613) 26.841 3.628 ( 10.125 -8.928 7.706) 15.544 3.722 ( 7.213 -6.869 -3.253) 10.478 3.851 ( 8.732 -6.548 3.718) 11.530 4.173 ( 12.858 7.861 -3.167) 15.400 4.394 ( -8.170 -11.502 -4.172) 14.712 4.585 ( -4.281 2.819 3.519) 6.218 4.751 ( -1.661 -2.676 -11.724) 12.140 5.079 ( -7.276 -8.889 -0.918) 11.524 5.263 ( -6.238 -6.956 0.513) 9.357 5.281 ( -7.718 -2.313 -1.773) 8.249 5.361 ( -5.937 -7.039 -5.375) 10.662 5.943 ( 1.973 1.377 5.000) 5.549 6.045 ( 2.807 -1.803 7.445) 8.158 6.246 ( 1.687 3.817 4.092) 5.845 6.746 ( -0.179 -7.032 4.490) 8.345 6.767 ( -1.810 2.082 -6.146) 6.736 6.844 ( -1.317 1.166 -2.660) 3.189 6.895 ( -2.284 1.737 -0.441) 2.903 7.143 ( 1.711 2.385 2.737) 4.013 7.208 ( 0.632 -3.904 1.506) 4.232 7.407 ( 1.809 -3.493 2.328) 4.571 7.580 ( -1.323 6.005 1.856) 6.423 7.815 ( -0.266 3.705 0.223) 3.721 8.074 ( 3.348 5.266 -3.523) 7.166 8.119 ( 0.899 1.165 3.834) 4.106 8.201 ( 3.143 0.858 2.540) 4.131 8.384 ( -0.051 -1.307 -2.933) 3.211 8.629 ( 0.914 4.557 -0.451) 4.670 8.846 ( 0.825 -1.137 -1.326) 1.931 9.078 ( -0.496 1.452 0.274) 1.559 9.377 ( -1.835 -4.109 -0.578) 4.537 ======================= Grid point 22 (15/205) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 7.884 17.885 8.167) 21.183 2.667 ( 16.254 18.746 3.969) 25.127 2.768 ( -6.274 14.668 -5.628) 16.917 3.004 ( -14.423 16.382 -2.520) 21.971 3.805 ( 5.956 -7.321 -5.948) 11.156 3.817 ( 2.055 -5.124 7.456) 9.277 3.918 ( 13.687 -1.638 10.441) 17.293 4.113 ( 11.869 -0.061 4.294) 12.622 4.203 ( -6.233 -10.710 -4.384) 13.144 4.337 ( 6.095 7.134 -2.193) 9.636 4.534 ( -4.862 4.836 -0.273) 6.863 4.571 ( -5.798 2.532 -9.348) 11.287 4.995 ( -1.280 -9.112 1.255) 9.287 5.124 ( -5.949 -3.366 -1.769) 7.060 5.193 ( -2.357 -7.559 1.424) 8.045 5.225 ( -4.060 -6.112 -2.809) 7.857 6.001 ( 1.093 -0.099 1.600) 1.940 6.120 ( 0.735 -0.840 3.022) 3.221 6.323 ( 1.949 2.585 3.697) 4.914 6.684 ( -1.226 1.870 -3.984) 4.569 6.767 ( -2.226 -1.585 2.936) 4.011 6.785 ( 0.319 -3.888 -3.737) 5.402 6.882 ( -0.322 3.708 0.663) 3.780 7.185 ( 0.861 1.498 1.017) 2.005 7.223 ( 0.227 -4.123 0.413) 4.150 7.440 ( 0.475 -3.193 0.932) 3.360 7.578 ( -0.256 6.405 0.780) 6.457 7.809 ( -0.338 4.091 0.133) 4.107 8.097 ( 1.235 4.570 -1.436) 4.947 8.152 ( 0.231 0.815 1.669) 1.871 8.279 ( 2.843 -0.076 2.831) 4.013 8.346 ( -1.592 -0.751 -3.016) 3.492 8.639 ( 0.384 4.501 -0.180) 4.521 8.850 ( 0.333 -0.796 -0.534) 1.014 9.076 ( -0.084 0.843 0.193) 0.869 9.349 ( -0.742 -3.971 -0.243) 4.048 ======================= Grid point 27 (16/205) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 26.444 0.000) 26.444 2.093 ( 0.000 29.458 0.000) 29.458 2.662 ( 0.000 -22.535 0.000) 22.535 2.991 ( 0.000 2.917 0.000) 2.917 3.491 ( 0.000 10.381 0.000) 10.381 3.493 ( 0.000 9.259 0.000) 9.259 3.627 ( 0.000 12.928 0.000) 12.928 3.933 ( 0.000 8.528 0.000) 8.528 3.951 ( 0.000 11.555 0.000) 11.555 4.500 ( 0.000 -10.940 0.000) 10.940 4.558 ( 0.000 -15.840 0.000) 15.840 4.567 ( 0.000 -10.427 0.000) 10.427 5.282 ( 0.000 -5.924 0.000) 5.924 5.345 ( 0.000 -7.392 0.000) 7.392 5.538 ( 0.000 -2.692 0.000) 2.692 5.554 ( 0.000 -4.250 0.000) 4.250 5.742 ( 0.000 1.750 0.000) 1.750 5.791 ( 0.000 -1.233 0.000) 1.233 6.248 ( 0.000 3.472 0.000) 3.472 6.410 ( 0.000 -3.909 0.000) 3.909 6.936 ( 0.000 1.779 0.000) 1.779 6.975 ( 0.000 -1.486 0.000) 1.486 6.994 ( 0.000 1.665 0.000) 1.665 7.001 ( 0.000 2.466 0.000) 2.466 7.158 ( 0.000 -0.716 0.000) 0.716 7.169 ( 0.000 -0.894 0.000) 0.894 7.771 ( 0.000 3.749 0.000) 3.749 7.821 ( 0.000 2.328 0.000) 2.328 8.048 ( 0.000 2.172 0.000) 2.172 8.096 ( 0.000 1.189 0.000) 1.189 8.111 ( 0.000 6.297 0.000) 6.297 8.311 ( 0.000 -3.786 0.000) 3.786 8.700 ( 0.000 4.369 0.000) 4.369 8.812 ( 0.000 -1.561 0.000) 1.561 9.176 ( 0.000 2.991 0.000) 2.991 9.370 ( 0.000 -5.301 0.000) 5.301 ======================= Grid point 28 (17/205) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 12.676 23.400 9.519) 28.264 2.155 ( 4.802 27.804 4.651) 28.596 2.753 ( 7.026 -20.968 6.158) 22.956 3.043 ( 4.521 -0.017 2.293) 5.069 3.494 ( -0.682 7.571 -0.072) 7.602 3.520 ( 5.338 10.916 -5.021) 13.147 3.652 ( 4.236 15.420 -1.736) 16.085 3.905 ( -4.359 11.003 0.289) 11.838 3.984 ( 5.440 8.609 -1.224) 10.257 4.454 ( -7.936 -12.875 2.842) 15.389 4.522 ( 1.135 -9.501 1.793) 9.735 4.626 ( 5.454 -12.549 -7.216) 15.469 5.228 ( -4.164 -4.912 -2.569) 6.933 5.340 ( 0.446 -8.423 -3.971) 9.322 5.464 ( -8.005 -3.071 0.786) 8.610 5.487 ( -3.734 -3.046 -3.811) 6.144 5.792 ( 2.254 0.566 5.241) 5.733 5.817 ( 1.098 -0.720 3.863) 4.080 6.271 ( 0.821 4.286 3.023) 5.309 6.466 ( 2.811 -5.062 5.089) 7.709 6.902 ( -2.825 2.792 2.331) 4.605 6.954 ( -1.276 0.209 -2.428) 2.751 6.990 ( 0.049 0.871 -1.735) 1.942 7.043 ( 1.788 -1.728 2.361) 3.429 7.142 ( -0.787 1.335 2.305) 2.777 7.216 ( 3.995 -1.442 -1.604) 4.540 7.750 ( -2.264 4.629 1.259) 5.305 7.835 ( 1.085 1.367 -0.250) 1.763 8.064 ( 1.112 2.070 1.192) 2.635 8.111 ( 1.122 1.066 1.049) 1.870 8.128 ( 2.287 5.957 -1.547) 6.566 8.322 ( 1.760 -3.600 -1.615) 4.320 8.702 ( 0.395 4.311 -0.272) 4.337 8.812 ( 0.173 -1.513 -0.408) 1.577 9.165 ( -1.083 3.018 -0.177) 3.211 9.356 ( -1.295 -5.261 -0.379) 5.431 ======================= Grid point 29 (18/205) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 13.408 21.433 12.147) 28.048 2.351 ( 11.609 22.165 8.190) 26.327 2.997 ( 11.857 -17.272 10.081) 23.250 3.181 ( 6.742 -5.107 4.912) 9.780 3.447 ( -2.642 5.686 -3.023) 6.961 3.603 ( 8.295 9.263 -6.924) 14.233 3.772 ( 7.096 16.127 0.440) 17.624 3.794 ( -4.621 14.180 -1.425) 14.982 4.115 ( 9.631 5.638 -1.959) 11.331 4.315 ( -8.578 -11.181 1.091) 14.134 4.565 ( 1.401 -6.233 2.504) 6.862 4.657 ( 4.742 -10.265 -7.997) 13.849 5.100 ( -6.570 -3.776 -4.906) 9.027 5.276 ( -4.627 -7.608 -4.656) 10.048 5.320 ( -6.035 -4.713 -1.411) 7.786 5.365 ( -6.700 -3.813 -1.950) 7.952 5.886 ( 2.115 0.533 6.364) 6.727 5.895 ( 2.943 -0.766 7.432) 8.030 6.308 ( 0.101 5.468 3.832) 6.678 6.553 ( 1.490 -6.321 5.500) 8.510 6.876 ( -2.156 2.256 -0.400) 3.146 6.901 ( -1.057 0.896 -3.435) 3.704 6.964 ( -1.371 1.013 -0.935) 1.945 7.086 ( 0.237 -4.273 4.410) 6.145 7.168 ( 1.682 3.313 1.044) 3.860 7.280 ( 3.615 -2.328 -0.154) 4.302 7.720 ( -2.066 5.496 1.593) 6.084 7.848 ( 0.331 0.252 0.342) 0.538 8.104 ( 1.550 1.806 2.409) 3.387 8.151 ( 1.960 0.872 1.592) 2.671 8.161 ( 2.747 5.155 -2.434) 6.328 8.342 ( 1.929 -3.147 -2.637) 4.537 8.711 ( 0.826 4.237 -0.419) 4.337 8.815 ( 0.641 -1.367 -0.694) 1.662 9.139 ( -1.424 2.881 -0.124) 3.216 9.321 ( -1.944 -5.125 -0.562) 5.510 ======================= Grid point 30 (19/205) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 9.789 22.040 10.831) 26.437 2.684 ( 15.693 16.622 8.390) 24.350 3.237 ( -1.124 11.428 -2.822) 11.825 3.331 ( 10.365 -14.260 9.210) 19.890 3.445 ( 4.905 -11.688 5.565) 13.844 3.605 ( -9.775 14.316 -0.529) 17.343 3.709 ( 7.477 -0.800 -7.902) 10.908 4.017 ( 14.097 19.100 3.564) 24.005 4.138 ( -7.789 -12.247 -3.253) 14.875 4.306 ( 9.746 4.733 -1.064) 10.886 4.604 ( 0.869 -2.133 1.730) 2.880 4.686 ( 4.943 -4.981 -7.296) 10.123 4.916 ( -8.499 -3.811 -5.372) 10.753 5.120 ( -8.011 -6.979 -2.535) 10.923 5.210 ( -4.586 -5.584 -3.916) 8.219 5.226 ( -7.011 -3.807 -0.138) 7.979 5.969 ( 1.309 1.024 5.671) 5.910 6.010 ( 2.825 -1.478 7.047) 7.735 6.342 ( 0.576 5.380 4.099) 6.788 6.601 ( -0.139 -6.909 4.133) 8.052 6.804 ( -2.130 1.568 -5.027) 5.680 6.850 ( -2.074 -0.415 -4.217) 4.718 6.953 ( -0.303 3.555 2.022) 4.101 7.120 ( 0.236 -4.255 2.548) 4.965 7.207 ( 1.547 3.349 1.027) 3.829 7.339 ( 2.307 -3.101 0.837) 3.954 7.704 ( -1.028 5.744 1.549) 6.037 7.853 ( -0.284 -0.277 0.719) 0.822 8.150 ( 0.852 1.718 3.236) 3.761 8.184 ( 2.222 5.027 -3.402) 6.464 8.207 ( 2.218 -0.364 2.512) 3.371 8.344 ( 0.646 -2.601 -3.022) 4.040 8.724 ( 0.904 4.276 -0.394) 4.388 8.824 ( 0.899 -1.128 -0.682) 1.595 9.115 ( -1.032 2.445 0.024) 2.654 9.282 ( -1.668 -4.902 -0.484) 5.201 ======================= Grid point 31 (20/205) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 6.307 20.385 6.983) 22.452 3.010 ( 11.634 14.914 3.947) 19.322 3.118 ( -1.790 17.240 -3.705) 17.725 3.336 ( -12.250 13.479 -3.254) 18.502 3.568 ( 3.028 -12.477 4.693) 13.670 3.677 ( 10.087 -10.929 9.438) 17.614 3.766 ( 3.898 -7.915 -4.692) 9.992 3.944 ( -9.147 -12.220 -5.673) 16.284 4.305 ( 10.339 12.258 6.669) 17.367 4.460 ( 7.029 4.572 -0.102) 8.386 4.606 ( -2.176 2.978 -6.190) 7.205 4.656 ( -2.496 4.047 -4.067) 6.257 4.798 ( -0.208 -9.272 0.974) 9.326 4.971 ( -4.859 -10.129 -2.380) 11.484 5.102 ( -3.721 -1.679 -0.713) 4.144 5.126 ( -3.306 -3.427 -0.217) 4.767 6.011 ( 0.101 1.135 2.072) 2.365 6.090 ( 1.103 -2.005 3.052) 3.814 6.391 ( 1.053 4.101 2.716) 5.030 6.620 ( -0.154 -6.341 1.731) 6.575 6.743 ( -0.746 1.192 -2.761) 3.099 6.780 ( -1.707 -0.285 -2.611) 3.133 6.964 ( 0.001 4.135 0.751) 4.202 7.134 ( -0.006 -4.176 0.661) 4.228 7.235 ( 0.683 3.064 0.517) 3.181 7.373 ( 0.771 -3.297 0.486) 3.420 7.703 ( -0.190 5.645 0.703) 5.692 7.852 ( -0.225 -0.270 0.393) 0.528 8.180 ( -0.479 2.410 3.546) 4.314 8.190 ( 1.470 3.759 -3.557) 5.380 8.267 ( 1.936 -1.138 2.807) 3.595 8.318 ( -0.872 -1.986 -3.018) 3.717 8.734 ( 0.393 4.354 -0.167) 4.375 8.833 ( 0.424 -0.919 -0.287) 1.052 9.103 ( -0.351 2.035 0.041) 2.065 9.258 ( -0.648 -4.712 -0.191) 4.760 ======================= Grid point 36 (21/205) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 0.000 -25.350 0.000) 25.350 2.165 ( 0.000 25.350 0.000) 25.350 2.652 ( 0.000 -24.484 0.000) 24.484 2.652 ( 0.000 24.484 0.000) 24.484 3.625 ( 0.000 -2.366 0.000) 2.366 3.625 ( 0.000 2.366 0.000) 2.366 4.021 ( 0.000 -14.636 0.000) 14.636 4.021 ( 0.000 14.636 0.000) 14.636 4.191 ( 0.000 -16.110 0.000) 16.110 4.191 ( 0.000 16.110 0.000) 16.110 4.370 ( 0.000 -4.672 0.000) 4.672 4.370 ( 0.000 4.672 0.000) 4.672 5.238 ( 0.000 -2.009 0.000) 2.009 5.238 ( 0.000 2.009 0.000) 2.009 5.503 ( 0.000 -0.136 0.000) 0.136 5.503 ( 0.000 0.136 0.000) 0.136 5.772 ( 0.000 -1.035 0.000) 1.035 5.772 ( 0.000 1.035 0.000) 1.035 6.327 ( 0.000 -4.065 0.000) 4.065 6.327 ( 0.000 4.065 0.000) 4.065 6.953 ( 0.000 -0.645 0.000) 0.645 6.953 ( 0.000 0.645 0.000) 0.645 7.027 ( 0.000 -0.489 0.000) 0.489 7.027 ( 0.000 0.489 0.000) 0.489 7.151 ( 0.000 -0.400 0.000) 0.400 7.151 ( 0.000 0.400 0.000) 0.400 7.829 ( 0.000 -1.517 0.000) 1.517 7.829 ( 0.000 1.517 0.000) 1.517 8.089 ( 0.000 -1.568 0.000) 1.568 8.089 ( 0.000 1.568 0.000) 1.568 8.225 ( 0.000 -4.728 0.000) 4.728 8.225 ( 0.000 4.728 0.000) 4.728 8.771 ( 0.000 -2.596 0.000) 2.596 8.771 ( 0.000 2.596 0.000) 2.596 9.261 ( 0.000 -5.022 0.000) 5.022 9.261 ( 0.000 5.022 0.000) 5.022 ======================= Grid point 38 (22/205) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 9.144 -23.011 6.897) 25.704 2.282 ( 9.144 23.011 6.897) 25.704 2.699 ( 3.496 -23.377 3.882) 23.953 2.699 ( 3.496 23.377 3.882) 23.953 3.629 ( 1.874 -1.710 -3.720) 4.503 3.629 ( 1.874 1.710 -3.720) 4.503 4.044 ( 1.577 -8.342 0.570) 8.509 4.044 ( 1.577 8.342 0.570) 8.509 4.173 ( -1.975 -13.311 1.330) 13.523 4.173 ( -1.975 13.311 1.330) 13.523 4.390 ( 3.422 -6.016 -2.823) 7.475 4.390 ( 3.422 6.016 -2.823) 7.475 5.209 ( -1.516 -3.282 -3.907) 5.323 5.209 ( -1.516 3.282 -3.907) 5.323 5.438 ( -5.802 -0.853 -1.356) 6.020 5.438 ( -5.802 0.853 -1.356) 6.020 5.806 ( 1.436 -0.609 4.679) 4.932 5.806 ( 1.436 0.609 4.679) 4.932 6.365 ( 1.801 -4.794 3.919) 6.449 6.365 ( 1.801 4.794 3.919) 6.449 6.945 ( -0.711 -1.315 -0.525) 1.584 6.945 ( -0.711 1.315 -0.525) 1.584 7.011 ( -1.904 -1.448 1.505) 2.826 7.011 ( -1.904 1.448 1.505) 2.826 7.179 ( 2.871 -2.019 -0.692) 3.577 7.179 ( 2.871 2.019 -0.692) 3.577 7.825 ( -0.712 -2.293 0.631) 2.483 7.825 ( -0.712 2.293 0.631) 2.483 8.102 ( 1.005 -1.508 0.924) 2.035 8.102 ( 1.005 1.508 0.924) 2.035 8.239 ( 2.008 -4.627 -1.516) 5.267 8.239 ( 2.008 4.627 -1.516) 5.267 8.772 ( 0.259 -2.520 -0.253) 2.546 8.772 ( 0.259 2.520 -0.253) 2.546 9.248 ( -1.184 -4.935 -0.271) 5.082 9.248 ( -1.184 4.935 -0.271) 5.082 ======================= Grid point 40 (23/205) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 12.894 -17.086 9.238) 23.314 2.562 ( 12.894 17.086 9.238) 23.314 2.849 ( 7.874 -18.292 8.460) 21.637 2.849 ( 7.874 18.292 8.460) 21.637 3.624 ( 1.448 -5.622 -6.484) 8.703 3.624 ( 1.448 5.622 -6.484) 8.703 4.021 ( -5.130 -9.759 0.371) 11.031 4.021 ( -5.130 9.759 0.371) 11.031 4.204 ( 5.070 -10.820 1.019) 11.992 4.204 ( 5.070 10.820 1.019) 11.992 4.453 ( 5.805 -4.033 -2.883) 7.633 4.453 ( 5.805 4.033 -2.883) 7.633 5.120 ( -3.420 -5.444 -7.091) 9.572 5.120 ( -3.420 5.444 -7.091) 9.572 5.299 ( -7.850 -1.739 -0.525) 8.057 5.299 ( -7.850 1.739 -0.525) 8.057 5.889 ( 2.398 -0.023 6.958) 7.360 5.889 ( 2.398 0.023 6.958) 7.360 6.426 ( 0.714 -5.961 4.743) 7.651 6.426 ( 0.714 5.961 4.743) 7.651 6.907 ( -1.918 -0.614 -3.432) 3.979 6.907 ( -1.918 0.614 -3.432) 3.979 7.007 ( -0.512 -3.229 3.587) 4.853 7.007 ( -0.512 3.229 3.587) 4.853 7.230 ( 2.826 -2.693 -0.240) 3.911 7.230 ( 2.826 2.693 -0.240) 3.911 7.815 ( -1.057 -3.404 1.085) 3.725 7.815 ( -1.057 3.404 1.085) 3.725 8.138 ( 1.571 -1.385 1.911) 2.835 8.138 ( 1.571 1.385 1.911) 2.835 8.265 ( 2.365 -4.373 -2.606) 5.613 8.265 ( 2.365 4.373 -2.606) 5.613 8.779 ( 0.739 -2.360 -0.401) 2.506 8.779 ( 0.739 2.360 -0.401) 2.506 9.218 ( -1.721 -4.668 -0.367) 4.989 9.218 ( -1.721 4.668 -0.367) 4.989 ======================= Grid point 42 (24/205) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 10.858 -12.570 7.450) 18.204 2.850 ( 10.858 12.570 7.450) 18.204 3.120 ( 12.090 -8.253 11.935) 18.887 3.120 ( 12.090 8.253 11.935) 18.887 3.566 ( -2.054 -11.026 -7.426) 13.451 3.566 ( -2.054 11.026 -7.426) 13.451 3.897 ( -7.162 -11.631 -2.156) 13.829 3.897 ( -7.162 11.631 -2.156) 13.829 4.340 ( 7.889 -6.158 2.116) 10.229 4.340 ( 7.889 6.158 2.116) 10.229 4.548 ( 6.138 -2.615 -1.873) 6.930 4.548 ( 6.138 2.615 -1.873) 6.930 4.971 ( -6.375 -6.733 -7.810) 12.123 4.971 ( -6.375 6.733 -7.810) 12.123 5.165 ( -5.874 -1.404 -0.308) 6.047 5.165 ( -5.874 1.404 -0.308) 6.047 5.987 ( 1.899 -0.870 6.497) 6.825 5.987 ( 1.899 0.870 6.497) 6.825 6.464 ( -0.094 -6.400 4.057) 7.578 6.464 ( -0.094 6.400 4.057) 7.578 6.833 ( -2.396 -1.202 -4.432) 5.179 6.833 ( -2.396 1.202 -4.432) 5.179 7.033 ( 0.275 -4.105 2.537) 4.833 7.033 ( 0.275 4.105 2.537) 4.833 7.275 ( 1.951 -3.194 0.403) 3.764 7.275 ( 1.951 3.194 0.403) 3.764 7.806 ( -0.810 -3.944 1.213) 4.205 7.806 ( -0.810 3.944 1.213) 4.205 8.185 ( 1.485 -1.532 2.627) 3.384 8.185 ( 1.485 1.532 2.627) 3.384 8.277 ( 1.311 -3.912 -3.090) 5.155 8.277 ( 1.311 3.912 -3.090) 5.155 8.792 ( 0.955 -2.262 -0.388) 2.486 8.792 ( 0.955 2.262 -0.388) 2.486 9.185 ( -1.413 -4.283 -0.277) 4.518 9.185 ( -1.413 4.283 -0.277) 4.518 ======================= Grid point 44 (25/205) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 6.502 -15.213 4.973) 17.275 3.069 ( 6.502 15.213 4.973) 17.275 3.407 ( 5.425 -12.804 1.993) 14.048 3.407 ( 5.426 12.804 1.993) 14.048 3.468 ( 1.242 -9.787 2.463) 10.168 3.468 ( 1.242 9.787 2.463) 10.168 3.726 ( -7.865 -8.538 -5.543) 12.864 3.726 ( -7.865 8.538 -5.543) 12.864 4.507 ( 6.757 -3.990 3.332) 8.525 4.507 ( 6.757 3.990 3.332) 8.525 4.629 ( 3.537 -3.667 -1.196) 5.233 4.629 ( 3.537 3.667 -1.196) 5.233 4.786 ( -7.113 -7.220 -4.875) 11.247 4.786 ( -7.113 7.220 -4.875) 11.247 5.088 ( -2.105 -0.513 -0.416) 2.206 5.088 ( -2.105 0.513 -0.416) 2.206 6.045 ( 0.429 -2.078 2.665) 3.407 6.045 ( 0.429 2.078 2.665) 3.407 6.493 ( 0.330 -5.752 2.183) 6.161 6.493 ( 0.330 5.752 2.183) 6.161 6.766 ( -1.294 -0.974 -2.543) 3.015 6.766 ( -1.294 0.974 -2.543) 3.015 7.049 ( 0.048 -4.107 0.730) 4.171 7.049 ( 0.048 4.107 0.730) 4.171 7.304 ( 0.737 -3.436 0.310) 3.528 7.304 ( 0.737 3.436 0.310) 3.528 7.804 ( -0.257 -3.963 0.586) 4.014 7.804 ( -0.257 3.963 0.586) 4.014 8.229 ( 0.831 -2.020 2.685) 3.462 8.229 ( 0.831 2.020 2.685) 3.462 8.266 ( 0.106 -2.900 -2.846) 4.064 8.266 ( 0.106 2.900 -2.846) 4.064 8.803 ( 0.441 -2.251 -0.167) 2.300 8.803 ( 0.441 2.251 -0.167) 2.300 9.165 ( -0.530 -3.981 -0.099) 4.018 9.165 ( -0.530 3.981 -0.099) 4.018 ======================= Grid point 81 (26/205) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 12.999 0.000 27.855) 30.738 0.597 ( -9.005 0.000 30.071) 31.390 1.064 ( -7.155 0.000 53.411) 53.888 2.991 ( -2.056 0.000 -4.177) 4.656 3.112 ( -3.515 0.000 3.441) 4.919 3.544 ( -1.343 0.000 1.967) 2.382 3.606 ( 3.301 0.000 5.984) 6.834 3.639 ( -2.422 0.000 -0.468) 2.467 3.933 ( -0.697 0.000 2.796) 2.882 4.702 ( 1.195 0.000 -3.750) 3.936 4.980 ( -1.101 0.000 -3.468) 3.638 5.112 ( 0.143 0.000 -4.975) 4.978 5.411 ( -1.456 0.000 -0.053) 1.457 5.428 ( -2.871 0.000 -0.495) 2.913 5.607 ( 1.647 0.000 0.906) 1.880 5.694 ( -3.928 0.000 -7.429) 8.404 5.850 ( -6.137 0.000 2.288) 6.550 5.976 ( 1.509 0.000 -1.625) 2.218 6.163 ( -2.167 0.000 3.705) 4.292 6.750 ( 0.299 0.000 1.415) 1.446 6.802 ( 1.391 0.000 1.889) 2.346 6.985 ( -0.341 0.000 -3.166) 3.185 7.067 ( 0.177 0.000 -4.832) 4.835 7.162 ( 2.817 0.000 -1.257) 3.085 7.223 ( -6.007 0.000 2.526) 6.516 7.401 ( 2.903 0.000 0.512) 2.948 7.428 ( 40.560 0.000 0.769) 40.567 7.621 ( -0.840 0.000 -0.671) 1.075 7.802 ( -3.742 0.000 2.189) 4.335 7.927 ( 0.863 0.000 1.292) 1.554 7.952 ( 3.605 0.000 3.691) 5.159 8.434 ( -0.857 0.000 -0.363) 0.931 8.506 ( -1.324 0.000 2.291) 2.646 8.931 ( 1.089 0.000 -0.657) 1.271 9.057 ( -15.449 0.000 0.743) 15.467 9.532 ( 0.839 0.000 -2.725) 2.851 ======================= Grid point 82 (27/205) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 12.552 0.000 22.813) 26.039 1.097 ( 13.512 0.000 29.945) 32.852 1.649 ( 28.040 0.000 39.194) 48.192 2.998 ( 6.566 0.000 -6.407) 9.174 3.064 ( -4.987 0.000 3.312) 5.986 3.494 ( -4.036 0.000 0.322) 4.049 3.605 ( 1.030 0.000 -3.923) 4.056 3.769 ( 6.317 0.000 10.843) 12.549 3.964 ( 1.822 0.000 3.594) 4.029 4.684 ( -1.011 0.000 -2.503) 2.699 4.899 ( -4.085 0.000 -5.987) 7.248 5.018 ( -4.691 0.000 -7.287) 8.667 5.335 ( -3.189 0.000 -2.623) 4.130 5.395 ( -0.822 0.000 -0.077) 0.825 5.599 ( -0.706 0.000 -7.570) 7.603 5.628 ( -0.028 0.000 -1.442) 1.443 5.954 ( 6.270 0.000 7.342) 9.655 5.967 ( -2.421 0.000 3.540) 4.289 6.144 ( -1.776 0.000 1.717) 2.470 6.737 ( -1.941 0.000 -0.091) 1.943 6.865 ( 3.005 0.000 -0.057) 3.005 6.949 ( -0.410 0.000 -1.625) 1.676 7.003 ( -2.973 0.000 -3.090) 4.288 7.136 ( -4.531 0.000 2.173) 5.026 7.210 ( 3.052 0.000 -0.844) 3.166 7.441 ( -0.011 0.000 2.443) 2.443 7.609 ( 0.713 0.000 -1.705) 1.849 7.708 ( 1.171 0.000 -0.162) 1.182 7.791 ( 1.085 0.000 0.351) 1.140 7.987 ( 3.858 0.000 2.457) 4.573 8.105 ( 6.048 0.000 0.624) 6.080 8.413 ( -0.772 0.000 -1.176) 1.407 8.508 ( -0.399 0.000 2.076) 2.114 8.883 ( -5.265 0.000 3.937) 6.574 8.958 ( 2.073 0.000 -0.145) 2.078 9.515 ( -0.294 0.000 -2.750) 2.766 ======================= Grid point 83 (28/205) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 19.215 0.000 16.168) 25.112 1.541 ( 9.762 0.000 30.417) 31.945 2.507 ( 32.272 0.000 28.047) 42.756 2.971 ( -6.767 0.000 3.466) 7.603 3.048 ( -0.833 0.000 -2.799) 2.920 3.467 ( 6.044 0.000 -5.580) 8.226 3.633 ( 7.049 0.000 -7.101) 10.005 3.958 ( 4.351 0.000 8.942) 9.945 4.093 ( 7.773 0.000 9.398) 12.196 4.618 ( -4.460 0.000 -1.554) 4.723 4.731 ( -7.718 0.000 -8.833) 11.730 4.845 ( -6.711 0.000 -9.108) 11.313 5.279 ( -0.270 0.000 -4.082) 4.091 5.352 ( -4.205 0.000 -0.516) 4.236 5.518 ( -1.936 0.000 -7.272) 7.525 5.568 ( -4.131 0.000 -3.383) 5.340 5.965 ( -2.382 0.000 7.106) 7.495 6.132 ( 5.953 0.000 8.440) 10.328 6.141 ( 0.931 0.000 0.155) 0.943 6.674 ( -3.391 0.000 -3.745) 5.052 6.835 ( -2.424 0.000 -4.796) 5.374 6.925 ( -3.934 0.000 -0.073) 3.935 7.003 ( 4.079 0.000 2.063) 4.571 7.086 ( -2.334 0.000 0.784) 2.462 7.255 ( 2.671 0.000 -1.111) 2.893 7.439 ( -2.059 0.000 2.315) 3.098 7.617 ( 1.526 0.000 -1.947) 2.474 7.686 ( -3.464 0.000 1.920) 3.961 7.831 ( 3.301 0.000 -0.684) 3.371 8.097 ( 5.345 0.000 3.311) 6.287 8.174 ( 0.484 0.000 4.188) 4.216 8.388 ( -0.782 0.000 -1.842) 2.001 8.522 ( 0.193 0.000 1.953) 1.962 8.858 ( -0.565 0.000 0.952) 1.108 8.999 ( 2.297 0.000 -0.079) 2.299 9.482 ( -1.057 0.000 -2.439) 2.658 ======================= Grid point 84 (29/205) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 20.144 0.000 12.595) 23.757 1.925 ( 6.895 0.000 26.660) 27.537 2.717 ( -14.406 0.000 7.850) 16.406 2.884 ( -14.807 0.000 1.380) 14.872 3.378 ( 31.488 0.000 18.150) 36.344 3.628 ( 15.721 0.000 -10.890) 19.125 3.748 ( 11.697 0.000 -8.395) 14.398 4.088 ( 3.922 0.000 6.406) 7.511 4.350 ( 9.006 0.000 12.755) 15.614 4.463 ( -11.292 0.000 -8.357) 14.048 4.516 ( -7.332 0.000 -3.199) 7.999 4.644 ( -6.975 0.000 -9.185) 11.533 5.243 ( -5.722 0.000 -1.307) 5.869 5.254 ( 0.654 0.000 -3.538) 3.598 5.423 ( -2.299 0.000 -5.668) 6.117 5.440 ( -7.535 0.000 -1.073) 7.611 5.987 ( 0.839 0.000 2.156) 2.313 6.165 ( -0.065 0.000 1.369) 1.371 6.281 ( 3.027 0.000 4.847) 5.715 6.573 ( -2.474 0.000 -4.324) 4.982 6.750 ( -2.354 0.000 -3.629) 4.326 6.863 ( -3.503 0.000 1.640) 3.868 7.056 ( -1.268 0.000 -0.291) 1.301 7.083 ( 3.075 0.000 0.572) 3.128 7.288 ( 2.168 0.000 -1.840) 2.844 7.410 ( -2.200 0.000 0.491) 2.254 7.625 ( -4.349 0.000 1.524) 4.608 7.628 ( 1.136 0.000 -1.534) 1.909 7.892 ( 3.902 0.000 -1.434) 4.157 8.203 ( -1.156 0.000 4.709) 4.849 8.224 ( 5.202 0.000 3.784) 6.433 8.353 ( -1.385 0.000 -2.296) 2.681 8.543 ( 0.261 0.000 1.955) 1.973 8.864 ( 0.330 0.000 0.916) 0.974 9.034 ( 1.675 0.000 -0.566) 1.768 9.444 ( -0.985 0.000 -1.864) 2.109 ======================= Grid point 85 (30/205) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -8.336 0.000 16.005) 18.045 2.239 ( 15.208 0.000 10.334) 18.387 2.558 ( -5.995 0.000 12.373) 13.749 2.581 ( -17.473 0.000 2.909) 17.713 3.783 ( 9.889 0.000 -13.378) 16.636 3.865 ( 4.731 0.000 -4.697) 6.666 3.995 ( 14.796 0.000 3.093) 15.116 4.179 ( -4.635 0.000 -2.331) 5.188 4.187 ( 0.700 0.000 5.027) 5.075 4.378 ( -4.598 0.000 0.005) 4.598 4.443 ( -5.933 0.000 -5.667) 8.205 4.601 ( 5.296 0.000 10.440) 11.707 5.168 ( -0.768 0.000 -0.341) 0.840 5.248 ( 1.562 0.000 -2.364) 2.834 5.306 ( -5.016 0.000 0.414) 5.033 5.371 ( 1.094 0.000 -3.448) 3.618 6.016 ( 1.294 0.000 -2.504) 2.819 6.134 ( -3.096 0.000 -0.150) 3.100 6.245 ( -4.545 0.000 -8.084) 9.275 6.596 ( 4.125 0.000 4.352) 5.997 6.724 ( 1.365 0.000 0.095) 1.368 6.819 ( -2.811 0.000 1.757) 3.315 7.030 ( -0.813 0.000 -1.720) 1.902 7.115 ( 0.585 0.000 -1.189) 1.325 7.304 ( 1.336 0.000 -2.634) 2.954 7.368 ( -1.686 0.000 -1.743) 2.425 7.559 ( -3.402 0.000 0.014) 3.402 7.636 ( 0.886 0.000 -1.069) 1.388 7.944 ( 2.855 0.000 -1.470) 3.211 8.203 ( -2.766 0.000 4.195) 5.025 8.296 ( -2.574 0.000 -2.507) 3.594 8.339 ( 3.637 0.000 3.857) 5.301 8.559 ( -0.272 0.000 2.134) 2.152 8.885 ( 0.682 0.000 2.086) 2.195 9.046 ( 0.422 0.000 -1.460) 1.520 9.423 ( 0.160 0.000 -1.237) 1.248 ======================= Grid point 86 (31/205) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -22.802 0.000 7.403) 23.973 2.123 ( -24.585 0.000 4.894) 25.067 2.672 ( 0.624 0.000 14.853) 14.866 2.693 ( 15.169 0.000 8.314) 17.298 3.540 ( -25.252 0.000 -6.251) 26.015 3.765 ( 0.955 0.000 -14.539) 14.570 4.052 ( -3.186 0.000 -1.554) 3.545 4.161 ( -5.043 0.000 0.747) 5.098 4.226 ( 7.176 0.000 -5.585) 9.093 4.278 ( -12.375 0.000 2.169) 12.563 4.583 ( 13.363 0.000 10.233) 16.831 4.742 ( 4.726 0.000 4.107) 6.261 5.214 ( 4.576 0.000 1.686) 4.877 5.292 ( 4.671 0.000 -0.913) 4.760 5.326 ( 5.917 0.000 2.618) 6.471 5.410 ( 5.018 0.000 -1.470) 5.229 5.937 ( -5.432 0.000 -5.385) 7.649 6.070 ( -4.975 0.000 -11.093) 12.158 6.118 ( 1.324 0.000 -1.028) 1.676 6.710 ( 4.330 0.000 0.522) 4.361 6.788 ( 3.879 0.000 2.501) 4.615 6.792 ( -1.893 0.000 4.145) 4.556 7.003 ( 0.198 0.000 -3.084) 3.090 7.084 ( -2.196 0.000 -2.934) 3.665 7.293 ( 0.120 0.000 -3.496) 3.498 7.326 ( -0.661 0.000 -3.256) 3.322 7.505 ( -1.779 0.000 -1.557) 2.364 7.645 ( 0.832 0.000 -0.691) 1.082 7.971 ( 1.262 0.000 -1.172) 1.722 8.167 ( -4.621 0.000 3.984) 6.101 8.214 ( -4.145 0.000 -2.331) 4.756 8.417 ( 1.650 0.000 3.399) 3.778 8.564 ( -1.149 0.000 2.395) 2.656 8.922 ( 0.960 0.000 3.737) 3.859 9.028 ( -0.705 0.000 -2.175) 2.286 9.432 ( 1.678 0.000 -1.005) 1.956 ======================= Grid point 87 (32/205) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -26.188 0.000 8.973) 27.683 1.675 ( -28.594 0.000 6.877) 29.410 2.559 ( -26.262 0.000 -1.440) 26.301 3.005 ( 11.241 0.000 7.352) 13.432 3.150 ( -11.179 0.000 9.825) 14.883 3.640 ( -1.929 0.000 -11.972) 12.127 3.911 ( -8.742 0.000 0.505) 8.757 3.996 ( -19.000 0.000 2.310) 19.140 4.063 ( -5.683 0.000 0.927) 5.758 4.382 ( 12.480 0.000 -6.730) 14.180 4.832 ( 6.870 0.000 6.299) 9.321 4.870 ( 6.957 0.000 1.035) 7.034 5.327 ( 5.085 0.000 2.446) 5.643 5.381 ( 4.346 0.000 -0.087) 4.347 5.507 ( 9.486 0.000 2.921) 9.925 5.523 ( 7.472 0.000 0.262) 7.476 5.797 ( -4.094 0.000 -5.241) 6.650 5.919 ( -2.047 0.000 -9.241) 9.465 6.131 ( 0.772 0.000 -0.710) 1.049 6.718 ( 1.112 0.000 -7.149) 7.235 6.832 ( -0.525 0.000 5.880) 5.904 6.882 ( 3.761 0.000 1.992) 4.256 6.999 ( -3.750 0.000 -3.536) 5.154 7.005 ( 2.998 0.000 -2.875) 4.154 7.255 ( -0.844 0.000 -4.489) 4.568 7.299 ( 0.847 0.000 -3.746) 3.840 7.469 ( -0.394 0.000 -2.787) 2.815 7.654 ( 0.521 0.000 -0.426) 0.673 7.973 ( -0.270 0.000 -0.598) 0.656 8.097 ( -6.321 0.000 4.155) 7.565 8.112 ( -5.006 0.000 -1.847) 5.336 8.454 ( -0.106 0.000 2.540) 2.542 8.556 ( -1.881 0.000 2.634) 3.236 8.979 ( 1.272 0.000 5.725) 5.864 8.992 ( -1.157 0.000 -2.312) 2.586 9.464 ( 2.594 0.000 -1.304) 2.904 ======================= Grid point 88 (33/205) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -27.225 0.000 15.044) 31.105 1.199 ( -30.452 0.000 11.299) 32.480 1.843 ( -44.977 0.000 0.333) 44.978 3.143 ( -3.359 0.000 10.608) 11.127 3.188 ( 1.837 0.000 5.242) 5.555 3.540 ( -0.564 0.000 -6.518) 6.543 3.683 ( -14.290 0.000 1.139) 14.335 3.777 ( -6.381 0.000 1.250) 6.503 3.982 ( -4.124 0.000 1.736) 4.475 4.549 ( 10.559 0.000 -5.262) 11.797 4.955 ( 3.335 0.000 2.235) 4.015 5.000 ( 6.719 0.000 -0.754) 6.761 5.419 ( 2.417 0.000 2.632) 3.574 5.420 ( 1.133 0.000 -2.647) 2.879 5.607 ( -0.356 0.000 -2.585) 2.609 5.673 ( 6.611 0.000 2.014) 6.911 5.791 ( 6.997 0.000 -0.153) 6.999 5.883 ( 4.214 0.000 -1.040) 4.341 6.140 ( 0.273 0.000 0.815) 0.860 6.666 ( 1.090 0.000 -12.593) 12.640 6.832 ( -2.625 0.000 2.657) 3.735 6.882 ( -3.892 0.000 -2.368) 4.556 6.968 ( 2.334 0.000 0.236) 2.346 7.059 ( 3.982 0.000 -1.335) 4.199 7.198 ( -1.087 0.000 -5.129) 5.243 7.302 ( 2.621 0.000 -3.309) 4.222 7.437 ( -0.583 0.000 -3.960) 4.002 7.655 ( -0.216 0.000 -0.237) 0.321 7.951 ( -2.482 0.000 1.015) 2.682 8.006 ( -6.362 0.000 3.251) 7.145 8.010 ( -4.586 0.000 -1.095) 4.715 8.459 ( -0.881 0.000 1.537) 1.772 8.538 ( -2.229 0.000 2.733) 3.526 8.954 ( -0.962 0.000 -1.979) 2.201 9.062 ( 2.068 0.000 7.706) 7.978 9.501 ( 2.630 0.000 -1.852) 3.216 ======================= Grid point 89 (34/205) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -30.022 0.000 12.330) 32.455 0.769 ( -28.270 0.000 20.532) 34.940 1.112 ( -38.838 0.000 31.789) 50.190 3.123 ( -8.793 0.000 0.245) 8.796 3.143 ( -3.709 0.000 6.011) 7.064 3.517 ( 1.243 0.000 -1.338) 1.826 3.566 ( -1.496 0.000 3.182) 3.516 3.694 ( -4.061 0.000 1.409) 4.299 3.940 ( -2.300 0.000 2.409) 3.331 4.674 ( 6.809 0.000 -4.990) 8.442 4.999 ( 1.032 0.000 -0.886) 1.360 5.094 ( 4.662 0.000 -2.724) 5.399 5.414 ( 1.163 0.000 -1.159) 1.641 5.443 ( -1.547 0.000 1.192) 1.953 5.581 ( 0.580 0.000 -0.957) 1.119 5.732 ( 1.796 0.000 -4.045) 4.425 5.920 ( 5.944 0.000 -1.288) 6.082 6.117 ( 12.237 0.000 -1.448) 12.323 6.157 ( -0.219 0.000 2.966) 2.974 6.542 ( 0.778 0.000 -1.932) 2.083 6.806 ( -2.554 0.000 -0.138) 2.557 6.812 ( -1.214 0.000 6.022) 6.143 6.998 ( 1.166 0.000 -1.631) 2.005 7.110 ( 2.017 0.000 -1.234) 2.365 7.144 ( 0.195 0.000 -4.629) 4.633 7.342 ( 3.685 0.000 -1.759) 4.083 7.363 ( -4.813 0.000 -3.336) 5.856 7.642 ( -0.940 0.000 -0.189) 0.959 7.881 ( -6.726 0.000 3.840) 7.745 7.938 ( -2.496 0.000 -0.013) 2.496 7.943 ( -2.447 0.000 1.216) 2.732 8.450 ( -0.921 0.000 0.558) 1.077 8.519 ( -2.071 0.000 2.590) 3.317 8.930 ( -0.144 0.000 -1.364) 1.372 9.168 ( 2.707 0.000 4.136) 4.943 9.527 ( 1.938 0.000 -2.386) 3.074 ======================= Grid point 90 (35/205) ======================= q-point: ( 0.00 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 12.628 21.898 19.719) 32.060 1.007 ( -0.370 25.275 23.204) 34.313 1.522 ( -10.027 41.493 31.209) 52.879 3.059 ( -2.029 6.345 -4.355) 7.959 3.178 ( -3.677 5.832 3.765) 7.856 3.482 ( 3.564 -8.814 4.779) 10.641 3.612 ( -1.926 4.486 2.367) 5.426 3.677 ( -2.312 3.021 0.397) 3.825 3.904 ( 0.022 -5.545 -0.226) 5.550 4.690 ( 1.764 -1.227 -2.673) 3.429 4.892 ( 0.294 -7.603 -4.614) 8.898 5.059 ( -2.932 -5.697 -2.624) 6.924 5.408 ( -0.437 0.957 -3.316) 3.479 5.470 ( -0.196 0.426 -4.609) 4.633 5.561 ( 1.679 -4.220 -2.866) 5.370 5.710 ( -4.518 0.896 -3.434) 5.745 5.793 ( 0.808 -3.646 4.643) 5.958 5.935 ( 0.986 -3.719 -0.686) 3.908 6.188 ( -1.436 1.708 3.153) 3.863 6.697 ( 7.016 -7.624 6.227) 12.088 6.788 ( 0.834 1.844 0.822) 2.184 6.931 ( -0.492 -2.205 -2.396) 3.293 7.030 ( 0.413 -2.619 -2.062) 3.359 7.113 ( 5.024 -4.310 6.350) 9.173 7.157 ( 3.992 -1.384 0.694) 4.282 7.235 ( 0.779 -0.063 3.934) 4.011 7.585 ( 7.715 4.314 -2.801) 9.273 7.674 ( -2.792 3.537 -0.060) 4.507 7.856 ( -3.619 5.013 1.918) 6.473 7.955 ( 1.637 2.427 1.071) 3.117 7.991 ( 0.715 3.462 3.650) 5.081 8.427 ( -1.545 -1.041 0.170) 1.871 8.535 ( -1.238 2.811 1.991) 3.660 8.887 ( -1.869 -1.808 1.934) 3.241 9.098 ( -3.429 1.356 -2.102) 4.244 9.509 ( 0.823 -2.272 -2.740) 3.653 ======================= Grid point 91 (36/205) ======================= q-point: ( 0.11 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 10.471 25.407 18.029) 32.867 1.318 ( 12.492 19.529 23.190) 32.790 1.874 ( 21.424 24.605 32.649) 46.156 3.057 ( 5.974 5.569 -6.591) 10.495 3.131 ( -4.756 6.248 2.941) 8.385 3.536 ( -3.596 2.563 1.729) 4.743 3.643 ( 3.804 2.227 -3.008) 5.337 3.676 ( 3.636 -5.817 8.911) 11.246 3.914 ( 0.939 -5.476 2.551) 6.114 4.687 ( -0.434 0.002 -1.517) 1.577 4.825 ( -3.402 -6.461 -6.041) 9.478 4.944 ( -5.220 -6.915 -6.422) 10.784 5.351 ( -3.139 0.770 -3.011) 4.417 5.409 ( -1.251 0.545 -2.359) 2.725 5.545 ( 0.212 -4.964 -7.025) 8.605 5.609 ( -3.319 -2.178 -2.366) 4.621 5.928 ( 3.123 -1.446 6.665) 7.501 5.960 ( 2.807 -1.306 4.479) 5.445 6.176 ( -2.095 2.914 2.654) 4.463 6.758 ( -1.152 1.280 -0.614) 1.828 6.841 ( 3.300 -3.596 2.911) 5.683 6.884 ( -1.252 -2.498 -4.013) 4.890 6.981 ( -1.776 -2.323 -3.713) 4.726 7.146 ( -3.835 1.116 5.066) 6.452 7.189 ( 3.040 -1.563 -1.406) 3.696 7.408 ( 4.949 -4.568 4.885) 8.320 7.615 ( -2.579 1.366 0.410) 2.947 7.703 ( 4.010 1.163 -0.331) 4.188 7.835 ( 0.628 4.892 -0.118) 4.934 8.012 ( 3.302 2.129 2.486) 4.649 8.080 ( 4.148 0.446 4.248) 5.954 8.402 ( -0.831 -1.133 -0.935) 1.688 8.534 ( -0.370 2.686 1.747) 3.226 8.864 ( -1.972 -0.949 1.937) 2.923 9.036 ( -0.862 4.156 -1.696) 4.571 9.491 ( -0.337 -2.344 -2.789) 3.659 ======================= Grid point 92 (37/205) ======================= q-point: ( 0.22 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 15.417 23.936 12.717) 31.183 1.695 ( 7.998 14.538 27.806) 32.380 2.622 ( 28.401 11.859 25.688) 40.089 3.033 ( -5.429 6.055 2.878) 8.627 3.125 ( 1.873 7.038 -3.913) 8.268 3.482 ( 1.397 1.900 -3.695) 4.383 3.707 ( 9.269 6.310 -7.040) 13.240 3.873 ( 6.035 -8.092 10.224) 14.368 4.004 ( 5.746 -7.670 6.892) 11.804 4.645 ( -3.317 1.582 -0.473) 3.705 4.664 ( -7.999 -5.545 -7.311) 12.173 4.785 ( -5.111 -5.701 -9.818) 12.451 5.278 ( -2.598 -1.056 -2.314) 3.636 5.353 ( -3.638 0.036 -2.033) 4.167 5.464 ( -2.655 -4.954 -6.991) 8.970 5.519 ( -4.101 -4.455 -3.463) 6.975 5.975 ( -1.501 0.881 7.109) 7.319 6.098 ( 3.911 -1.935 5.030) 6.659 6.186 ( 2.152 3.090 3.687) 5.269 6.695 ( -3.165 1.844 -4.595) 5.877 6.825 ( -1.731 -0.991 -4.482) 4.906 6.908 ( 0.345 -3.394 2.395) 4.168 6.922 ( -0.981 -3.140 -1.924) 3.811 7.129 ( -1.314 2.636 3.602) 4.653 7.231 ( 2.637 -2.051 -1.513) 3.667 7.474 ( -0.144 1.422 2.563) 2.935 7.582 ( -1.606 -1.747 1.033) 2.588 7.730 ( -0.414 3.473 0.131) 3.500 7.871 ( 3.456 3.944 -1.291) 5.401 8.111 ( 4.597 1.218 3.625) 5.979 8.169 ( 1.571 0.292 4.659) 4.925 8.380 ( -0.495 -0.811 -1.902) 2.126 8.547 ( 0.233 2.490 1.699) 3.023 8.852 ( -0.549 -0.529 0.977) 1.240 9.032 ( 0.992 2.450 -0.874) 2.784 9.456 ( -1.056 -2.403 -2.473) 3.606 ======================= Grid point 93 (38/205) ======================= q-point: ( 0.33 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 17.092 19.015 10.663) 27.702 2.039 ( 5.892 10.845 25.043) 27.919 2.765 ( -13.780 5.122 6.701) 16.156 2.995 ( -13.453 9.919 1.683) 16.799 3.460 ( 29.735 7.873 16.657) 34.980 3.574 ( 12.700 -2.458 -9.556) 16.082 3.863 ( 13.611 8.248 -8.898) 18.234 4.025 ( 3.949 -5.721 6.937) 9.820 4.216 ( 7.739 -10.502 8.561) 15.604 4.434 ( -9.359 -4.385 -8.543) 13.409 4.567 ( -5.402 4.013 1.432) 6.880 4.602 ( -6.004 -3.553 -9.354) 11.669 5.203 ( -4.509 -3.602 -0.683) 5.812 5.262 ( -3.605 -0.085 -2.579) 4.433 5.358 ( -2.614 -5.741 -5.459) 8.342 5.404 ( -6.342 -3.622 -1.394) 7.435 5.993 ( -0.089 0.660 2.000) 2.108 6.158 ( 0.384 -0.652 1.698) 1.859 6.291 ( 2.667 1.030 4.132) 5.025 6.599 ( -1.779 2.339 -4.174) 5.104 6.754 ( -1.792 0.212 -4.121) 4.499 6.869 ( -2.551 0.520 0.472) 2.646 6.938 ( -0.055 -6.506 0.884) 6.566 7.149 ( 0.788 2.545 1.414) 3.016 7.260 ( 2.006 -2.530 -2.116) 3.860 7.466 ( -1.414 4.557 0.356) 4.784 7.562 ( -2.027 -3.156 1.533) 4.052 7.711 ( -0.830 4.892 -0.913) 5.045 7.928 ( 3.813 3.343 -1.649) 5.332 8.204 ( -0.439 0.275 5.282) 5.308 8.236 ( 4.311 0.995 3.353) 5.551 8.349 ( -1.141 -0.391 -2.376) 2.664 8.567 ( 0.312 2.391 1.827) 3.025 8.858 ( 0.287 -0.492 1.053) 1.197 9.046 ( 1.071 1.005 -0.870) 1.707 9.419 ( -0.924 -2.355 -1.880) 3.152 ======================= Grid point 94 (39/205) ======================= q-point: ( 0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -9.304 7.507 12.296) 17.149 2.409 ( 13.946 15.265 10.264) 23.084 2.628 ( -4.064 7.093 12.784) 15.175 2.711 ( -17.271 11.115 2.569) 20.698 3.706 ( 9.629 -4.229 -11.581) 15.644 3.975 ( 4.147 7.053 0.003) 8.182 4.028 ( 9.694 2.032 -7.554) 12.457 4.101 ( -4.226 -4.529 2.580) 6.711 4.195 ( 4.416 -0.912 2.999) 5.415 4.379 ( 0.027 -3.978 -0.346) 3.993 4.423 ( -4.159 0.800 -2.787) 5.069 4.577 ( 2.559 -0.659 9.650) 10.006 5.143 ( -0.763 -2.322 -0.038) 2.444 5.172 ( -3.456 -5.615 -1.542) 6.772 5.289 ( -2.411 -4.720 -2.258) 5.761 5.325 ( 0.966 -2.774 -0.568) 2.992 6.003 ( 0.746 -0.989 -2.471) 2.764 6.126 ( -3.399 -0.524 -2.475) 4.237 6.270 ( -3.341 1.995 -5.607) 6.825 6.628 ( 4.094 2.787 3.963) 6.343 6.724 ( 1.221 -0.220 -0.957) 1.567 6.830 ( -2.053 1.011 0.318) 2.311 6.932 ( -0.816 -5.880 0.082) 5.937 7.159 ( -0.267 1.912 -0.972) 2.161 7.270 ( 1.202 -2.976 -2.893) 4.321 7.436 ( -1.162 5.710 -1.763) 6.088 7.528 ( -2.595 -2.401 0.821) 3.629 7.696 ( 0.242 4.737 -1.327) 4.925 7.977 ( 2.829 2.981 -1.656) 4.431 8.209 ( -2.815 0.597 4.339) 5.207 8.298 ( -2.409 0.044 -2.460) 3.443 8.341 ( 3.523 0.202 3.750) 5.149 8.584 ( -0.215 2.400 2.088) 3.188 8.878 ( 0.553 -0.557 2.043) 2.189 9.051 ( 0.356 0.439 -1.463) 1.569 9.399 ( 0.191 -2.276 -1.259) 2.608 ======================= Grid point 95 (40/205) ======================= q-point: (-0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -21.490 7.127 4.484) 23.080 2.302 ( -22.445 14.279 3.366) 26.814 2.755 ( 1.488 8.404 15.768) 17.930 2.811 ( 13.675 10.496 7.664) 18.866 3.603 ( -19.737 5.312 -6.675) 21.502 3.738 ( -3.467 -1.898 -12.245) 12.867 4.030 ( -1.515 -9.044 -5.359) 10.621 4.047 ( -5.793 -0.597 -0.308) 5.832 4.288 ( -3.795 2.204 0.693) 4.443 4.329 ( -0.812 4.369 0.109) 4.446 4.549 ( 7.012 -3.496 7.736) 11.011 4.748 ( 7.984 1.427 7.254) 10.881 5.150 ( 3.893 -7.100 0.402) 8.108 5.211 ( 6.407 -3.519 0.001) 7.310 5.295 ( 3.796 -5.357 -0.256) 6.570 5.392 ( 5.727 -1.839 1.729) 6.258 5.940 ( -4.380 0.023 -5.119) 6.737 6.027 ( -2.680 -2.223 -8.834) 9.495 6.169 ( -1.745 3.197 -3.678) 5.176 6.728 ( 3.569 0.443 -2.821) 4.571 6.778 ( 3.173 -0.294 4.350) 5.393 6.806 ( -0.627 1.165 1.867) 2.288 6.918 ( -0.231 -4.474 -0.044) 4.481 7.119 ( -2.284 1.649 -2.928) 4.063 7.257 ( 0.166 -3.117 -3.790) 4.911 7.398 ( -0.799 5.465 -3.299) 6.433 7.489 ( -1.646 -1.090 -0.269) 1.992 7.699 ( 1.010 4.492 -1.019) 4.715 8.004 ( 1.360 2.765 -1.546) 3.448 8.173 ( -4.617 0.754 3.959) 6.128 8.223 ( -3.710 0.675 -1.962) 4.251 8.417 ( 1.608 -0.066 3.396) 3.758 8.590 ( -1.085 2.467 2.368) 3.588 8.909 ( 0.396 -1.111 3.305) 3.509 9.038 ( -0.132 0.818 -1.867) 2.043 9.408 ( 1.648 -2.305 -1.032) 3.015 ======================= Grid point 96 (41/205) ======================= q-point: (-0.33 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -23.751 9.420 5.615) 26.160 1.886 ( -25.071 15.307 2.560) 29.486 2.708 ( -21.233 14.037 3.008) 25.630 3.094 ( 9.438 8.208 6.674) 14.177 3.239 ( -11.208 8.769 8.942) 16.807 3.583 ( -3.442 -5.447 -11.571) 13.244 3.888 ( -11.006 -1.011 2.742) 11.387 3.949 ( -3.817 -9.119 -3.108) 10.363 4.077 ( -15.583 5.565 2.877) 16.795 4.424 ( 9.662 3.059 -5.258) 11.417 4.700 ( 5.714 -8.916 3.175) 11.056 4.928 ( 5.792 1.820 4.662) 7.655 5.261 ( 5.361 -5.964 1.821) 8.224 5.354 ( 7.950 -2.843 -0.543) 8.461 5.396 ( 6.391 -6.634 0.714) 9.239 5.547 ( 8.149 -1.126 2.935) 8.734 5.814 ( -3.805 1.277 -5.116) 6.502 5.900 ( -2.047 -1.536 -9.199) 9.549 6.143 ( 0.094 1.192 -1.284) 1.755 6.705 ( 0.585 -2.029 -9.008) 9.252 6.813 ( -1.263 -2.110 0.841) 2.599 6.877 ( 2.928 0.488 4.290) 5.217 6.950 ( 3.149 -0.974 1.289) 3.539 7.042 ( -2.954 1.695 -3.202) 4.675 7.218 ( -0.720 -3.001 -4.612) 5.550 7.361 ( 0.012 3.848 -4.052) 5.588 7.464 ( -0.632 0.527 -0.811) 1.155 7.713 ( 1.077 4.701 -0.623) 4.863 8.003 ( -0.177 2.387 -1.433) 2.789 8.105 ( -5.826 1.496 3.578) 6.999 8.136 ( -4.621 1.590 -0.498) 4.913 8.454 ( -0.068 -0.064 2.680) 2.682 8.582 ( -1.803 2.546 2.559) 4.035 8.935 ( -0.750 -2.297 3.129) 3.954 9.031 ( 0.873 1.800 -0.289) 2.021 9.439 ( 2.586 -2.364 -1.310) 3.741 ======================= Grid point 97 (42/205) ======================= q-point: (-0.22 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -22.626 13.677 11.066) 28.661 1.419 ( -27.599 14.759 0.844) 31.309 2.157 ( -35.446 27.882 6.674) 45.589 3.188 ( -2.604 4.783 8.130) 9.786 3.292 ( 0.348 8.876 6.744) 11.153 3.463 ( -1.533 -6.931 -5.865) 9.208 3.689 ( -11.453 1.069 2.334) 11.737 3.823 ( -7.149 2.246 -0.161) 7.495 3.913 ( -3.760 -4.977 1.371) 6.387 4.559 ( 8.738 0.537 -4.611) 9.895 4.815 ( 5.187 -9.644 0.376) 10.957 5.038 ( 3.361 -0.257 2.208) 4.030 5.353 ( 3.459 -4.291 1.273) 5.657 5.445 ( 2.955 0.230 -2.636) 3.966 5.510 ( 4.947 -6.700 -1.130) 8.405 5.680 ( 1.905 -1.470 1.652) 2.919 5.775 ( 5.176 -1.933 -1.337) 5.685 5.850 ( 2.335 -1.881 -3.159) 4.356 6.141 ( 0.143 0.464 0.326) 0.585 6.623 ( -0.732 -3.768 -11.950) 12.551 6.780 ( -1.994 -1.997 0.012) 2.822 6.935 ( -0.571 2.239 2.078) 3.108 6.971 ( 0.328 1.206 -2.169) 2.503 7.038 ( 3.334 -0.986 1.318) 3.718 7.162 ( -1.156 -2.883 -4.878) 5.784 7.330 ( -0.827 0.972 -2.803) 3.080 7.457 ( 1.178 3.068 -1.729) 3.714 7.724 ( 0.403 4.937 -0.335) 4.964 7.974 ( -1.753 1.643 -1.125) 2.653 8.023 ( -6.505 3.159 4.515) 8.525 8.052 ( -3.951 2.525 -0.242) 4.696 8.461 ( -0.946 -0.058 1.845) 2.074 8.566 ( -2.106 2.638 2.563) 4.238 8.926 ( -1.661 -2.104 1.125) 2.907 9.073 ( 2.143 0.712 2.958) 3.721 9.476 ( 2.667 -2.339 -1.840) 3.996 ======================= Grid point 98 (43/205) ======================= q-point: (-0.11 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -24.023 15.860 8.686) 30.068 0.983 ( -16.248 22.487 15.939) 31.995 1.670 ( -27.058 41.209 20.458) 53.374 3.164 ( -5.320 4.579 2.086) 7.322 3.236 ( -7.307 7.125 3.893) 10.923 3.426 ( 0.409 -7.690 -0.567) 7.722 3.610 ( -0.860 4.226 3.109) 5.316 3.728 ( -4.103 2.808 1.161) 5.106 3.895 ( 0.341 -5.922 0.619) 5.964 4.657 ( 5.170 -1.521 -3.840) 6.617 4.888 ( 3.225 -8.971 -2.234) 9.792 5.087 ( 0.841 -2.830 0.025) 2.952 5.424 ( 4.234 -0.368 -0.213) 4.255 5.441 ( 0.303 0.462 -3.655) 3.696 5.549 ( 2.007 -3.108 -2.638) 4.544 5.700 ( 1.269 -2.529 -0.543) 2.881 5.890 ( 0.455 -8.044 -0.770) 8.094 5.901 ( 4.127 -5.567 0.323) 6.938 6.165 ( 1.514 0.257 2.610) 3.029 6.521 ( 0.580 -1.907 -2.278) 3.028 6.765 ( 0.433 0.327 0.421) 0.687 6.918 ( -0.832 4.402 2.386) 5.075 6.984 ( 1.150 -0.935 -1.214) 1.916 7.098 ( 0.638 -0.830 0.292) 1.087 7.108 ( 1.050 -2.860 -4.245) 5.225 7.277 ( -3.845 -0.742 0.838) 4.004 7.492 ( 4.735 5.593 -2.923) 7.890 7.716 ( -1.192 4.590 -0.384) 4.758 7.927 ( -5.027 3.779 2.573) 6.795 7.946 ( -2.573 2.505 1.506) 3.894 7.996 ( -2.389 3.369 0.858) 4.218 8.451 ( -1.401 -0.462 1.003) 1.784 8.547 ( -1.921 2.758 2.334) 4.092 8.904 ( -1.504 -1.814 1.069) 2.588 9.130 ( 0.944 -1.671 1.578) 2.485 9.503 ( 1.965 -2.274 -2.379) 3.833 ======================= Grid point 99 (44/205) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 7.115 22.582 18.186) 29.855 1.580 ( 1.554 29.329 13.187) 32.194 2.452 ( -5.566 43.982 14.569) 46.665 3.141 ( 2.451 -14.554 6.360) 16.071 3.238 ( -2.659 9.553 -4.198) 10.768 3.422 ( -2.926 9.168 3.044) 10.093 3.663 ( -0.242 -10.357 1.641) 10.489 3.755 ( -0.994 8.162 -0.424) 8.234 3.803 ( -1.911 3.854 2.853) 5.162 4.634 ( 2.624 -5.360 -2.883) 6.628 4.704 ( 2.069 -9.387 -4.080) 10.442 4.889 ( -6.530 -10.282 1.038) 12.224 5.377 ( 0.658 -6.834 -5.034) 8.513 5.425 ( 1.513 -3.324 -6.566) 7.514 5.469 ( -0.333 -3.346 -5.409) 6.369 5.680 ( -5.348 -4.694 -1.710) 7.319 5.759 ( 5.707 0.728 5.043) 7.651 5.855 ( 1.957 -2.973 1.634) 3.916 6.228 ( 0.451 2.316 3.565) 4.275 6.555 ( 5.961 -5.621 5.259) 9.736 6.846 ( 2.586 3.279 -1.448) 4.420 6.929 ( -2.113 1.003 -2.635) 3.523 6.980 ( -1.324 -2.187 -2.388) 3.499 7.060 ( 2.574 -1.403 4.315) 5.216 7.142 ( 3.710 -0.194 0.500) 3.749 7.241 ( -2.428 0.267 3.851) 4.560 7.673 ( 4.032 4.389 -1.441) 6.131 7.752 ( -2.381 3.833 -0.005) 4.512 7.984 ( -2.292 6.591 1.441) 7.125 8.015 ( 0.466 3.261 1.384) 3.573 8.068 ( 0.512 3.523 2.829) 4.547 8.390 ( -2.109 -2.535 0.915) 3.422 8.615 ( -1.031 4.702 1.496) 5.041 8.856 ( -1.295 -1.395 1.488) 2.416 9.118 ( -0.074 1.088 -1.807) 2.110 9.442 ( 0.766 -4.127 -2.733) 5.008 ======================= Grid point 100 (45/205) ======================= q-point: ( 0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 14.271 18.118 20.781) 31.044 1.790 ( 9.013 25.326 15.969) 31.267 2.601 ( 9.109 39.506 16.874) 43.914 3.210 ( 3.886 8.548 -6.264) 11.287 3.256 ( 2.228 -2.373 5.472) 6.367 3.412 ( 0.107 -2.669 5.386) 6.012 3.682 ( 0.214 -5.950 2.268) 6.371 3.733 ( -1.537 8.284 1.783) 8.612 3.799 ( 1.990 2.000 -1.011) 2.997 4.637 ( -0.277 -7.332 -5.286) 9.043 4.693 ( -0.370 -3.949 -1.129) 4.123 4.752 ( -6.473 -11.176 -3.677) 13.428 5.302 ( -4.168 -6.258 -3.586) 8.330 5.391 ( 0.776 -5.700 -8.013) 9.864 5.425 ( -0.621 -2.984 -4.529) 5.459 5.539 ( -6.892 -4.368 -2.617) 8.569 5.910 ( 3.445 -0.285 6.811) 7.638 5.927 ( 4.179 -1.326 5.391) 6.949 6.252 ( -0.937 4.295 3.754) 5.781 6.685 ( 3.573 -6.318 3.313) 7.978 6.840 ( -1.478 2.818 -2.771) 4.219 6.876 ( -0.867 0.442 -3.621) 3.749 6.939 ( -0.779 -0.991 -2.032) 2.391 7.134 ( 2.486 -2.403 1.115) 3.633 7.188 ( -1.366 1.257 3.179) 3.682 7.302 ( 4.661 -4.202 5.945) 8.645 7.678 ( -2.775 4.091 0.534) 4.972 7.761 ( 3.324 3.555 -0.988) 4.966 7.968 ( 0.200 7.239 -0.114) 7.243 8.060 ( 2.507 2.277 2.514) 4.218 8.123 ( 2.057 2.589 4.116) 5.280 8.365 ( -0.712 -2.410 -0.540) 2.570 8.613 ( -0.349 4.648 1.241) 4.824 8.844 ( -1.098 -1.095 1.199) 1.960 9.096 ( -0.491 2.102 -1.873) 2.858 9.422 ( -0.411 -4.176 -2.817) 5.054 ======================= Grid point 101 (46/205) ======================= q-point: ( 0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 7.969 19.612 20.315) 29.340 2.142 ( 13.141 21.665 13.961) 28.930 2.994 ( 9.656 21.217 16.179) 28.375 3.226 ( 4.388 13.224 1.594) 14.024 3.311 ( 7.944 10.350 -5.273) 14.072 3.520 ( 0.094 -3.275 4.483) 5.553 3.673 ( 1.174 -4.648 7.911) 9.250 3.804 ( 4.819 -8.172 4.999) 10.724 3.885 ( 10.159 7.226 -5.760) 13.733 4.504 ( -8.428 -8.657 -4.912) 13.042 4.627 ( -1.317 -8.781 -10.829) 14.004 4.683 ( -1.708 0.612 1.833) 2.578 5.187 ( -5.833 -8.018 -2.056) 10.127 5.321 ( -2.023 -7.026 -7.156) 10.230 5.353 ( -3.975 -2.417 -3.467) 5.802 5.408 ( -4.985 -5.419 -2.271) 7.706 5.996 ( 0.414 1.025 6.908) 6.995 6.058 ( 3.812 -1.779 5.492) 6.919 6.269 ( 0.537 4.873 3.476) 6.010 6.727 ( -0.299 -0.854 -3.284) 3.406 6.769 ( -1.564 -2.767 -3.489) 4.720 6.841 ( -0.676 -0.763 -1.707) 1.988 6.918 ( -0.732 1.218 -0.536) 1.519 7.173 ( 0.774 -0.614 1.654) 1.926 7.189 ( -0.013 0.183 1.021) 1.038 7.416 ( 2.368 -4.999 4.979) 7.442 7.631 ( -2.478 4.941 0.423) 5.544 7.803 ( 1.573 3.180 -0.600) 3.598 7.985 ( 2.157 6.601 -1.376) 7.080 8.140 ( 3.163 1.432 3.984) 5.285 8.192 ( 1.633 1.409 4.245) 4.762 8.352 ( 0.057 -1.899 -1.755) 2.586 8.622 ( 0.234 4.511 1.243) 4.685 8.838 ( -0.398 -0.825 1.002) 1.358 9.077 ( -0.087 1.949 -1.400) 2.401 9.387 ( -1.026 -4.172 -2.491) 4.966 ======================= Grid point 102 (47/205) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 5.404 16.849 18.875) 25.872 2.474 ( 12.999 21.646 10.669) 27.411 2.936 ( -11.807 11.357 4.467) 16.980 3.256 ( -10.454 14.601 0.922) 17.982 3.526 ( 8.422 -1.247 -8.533) 12.054 3.720 ( 23.557 14.501 14.895) 31.418 3.853 ( 6.184 -9.864 8.419) 14.367 3.969 ( 8.260 -11.451 7.077) 15.793 4.045 ( 11.856 6.798 -10.113) 17.001 4.308 ( -7.456 -6.304 -3.728) 10.452 4.508 ( -2.051 -4.618 -11.766) 12.805 4.650 ( -3.673 3.256 2.458) 5.490 5.071 ( -5.044 -9.502 -0.064) 10.758 5.205 ( -5.256 -7.012 -5.330) 10.257 5.251 ( -4.030 -2.694 -1.297) 5.017 5.303 ( -5.416 -5.510 -1.081) 7.802 6.016 ( -1.555 1.486 1.776) 2.790 6.138 ( 1.109 -1.236 2.378) 2.900 6.327 ( 1.630 2.574 2.454) 3.912 6.657 ( -0.840 3.041 -3.375) 4.620 6.732 ( -0.368 -3.453 -5.361) 6.387 6.826 ( -0.873 -2.889 1.670) 3.449 6.900 ( -0.999 2.192 -0.209) 2.418 7.195 ( 0.367 0.691 1.302) 1.519 7.197 ( 0.666 -1.900 -1.146) 2.317 7.467 ( -0.145 -4.134 3.297) 5.289 7.595 ( -1.454 5.761 -0.556) 5.968 7.808 ( -0.059 3.887 -1.031) 4.022 8.019 ( 2.796 5.219 -1.900) 6.218 8.215 ( -0.064 0.632 5.392) 5.429 8.257 ( 3.079 0.820 3.087) 4.437 8.333 ( -0.557 -1.226 -2.247) 2.620 8.639 ( 0.373 4.415 1.514) 4.682 8.846 ( 0.280 -0.648 1.245) 1.431 9.069 ( 0.208 1.215 -1.198) 1.719 9.352 ( -0.789 -4.056 -1.875) 4.538 ======================= Grid point 103 (48/205) ======================= q-point: ( 0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -8.955 14.615 6.709) 18.406 2.785 ( 11.430 18.220 7.855) 22.898 2.846 ( -1.274 14.925 13.794) 20.363 2.991 ( -16.685 15.171 0.952) 22.571 3.624 ( 8.425 -4.240 -10.368) 14.016 3.933 ( -3.750 -8.440 -4.424) 10.241 4.014 ( -3.238 -5.446 -1.760) 6.576 4.118 ( 8.250 -8.209 8.442) 14.378 4.173 ( 2.645 7.844 -6.947) 10.807 4.319 ( 5.540 3.442 3.399) 7.355 4.446 ( 7.745 2.044 1.990) 8.253 4.611 ( -1.432 2.883 3.757) 4.947 5.015 ( -2.758 -9.679 0.020) 10.064 5.090 ( -1.781 -3.023 -0.843) 3.608 5.169 ( -3.382 -4.801 -2.476) 6.373 5.234 ( -1.083 -6.489 2.428) 7.013 5.989 ( -0.790 -0.174 -2.791) 2.906 6.114 ( -3.042 -0.777 -3.854) 4.971 6.315 ( -2.016 2.414 -3.717) 4.869 6.683 ( 1.835 -1.437 -4.580) 5.139 6.698 ( 2.260 0.743 3.791) 4.476 6.832 ( -0.277 -1.935 2.606) 3.257 6.878 ( -0.915 2.230 -0.904) 2.575 7.190 ( -0.339 -1.342 -1.812) 2.281 7.201 ( 0.139 -0.626 -0.953) 1.149 7.468 ( -1.762 -3.344 1.543) 4.083 7.566 ( -0.666 6.419 -1.816) 6.704 7.795 ( 0.045 4.106 -1.549) 4.389 8.051 ( 2.270 3.924 -2.076) 4.986 8.227 ( -2.398 1.120 4.411) 5.144 8.293 ( -1.846 -0.571 -2.044) 2.813 8.343 ( 2.858 -0.148 3.517) 4.534 8.656 ( -0.108 4.391 1.907) 4.788 8.865 ( 0.302 -0.691 1.968) 2.107 9.063 ( 0.230 0.825 -1.393) 1.635 9.334 ( 0.240 -3.954 -1.283) 4.164 ======================= Grid point 104 (49/205) ======================= q-point: (-0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -16.993 16.317 0.370) 23.561 2.618 ( -20.131 15.340 -1.481) 25.353 2.996 ( 2.102 13.926 15.423) 20.886 3.099 ( 11.678 16.853 7.647) 21.883 3.609 ( -2.577 -5.267 -12.138) 13.480 3.730 ( -8.566 -8.540 -6.964) 13.958 3.884 ( -10.932 3.255 -2.427) 11.662 4.043 ( -8.687 1.522 1.606) 8.964 4.283 ( 5.520 -9.535 3.262) 11.490 4.360 ( -0.898 4.220 -0.038) 4.315 4.540 ( -2.661 3.907 1.858) 5.079 4.798 ( 8.901 2.553 10.191) 13.769 4.972 ( 2.566 -9.379 -1.029) 9.778 5.141 ( 4.079 -4.451 -1.084) 6.134 5.162 ( 5.749 -5.114 -0.388) 7.704 5.306 ( 5.500 -6.350 5.372) 9.971 5.932 ( -2.353 -0.595 -5.180) 5.720 5.997 ( -3.297 -0.908 -9.086) 9.708 6.235 ( -2.376 3.257 -3.977) 5.663 6.661 ( 1.254 -5.571 -6.619) 8.742 6.806 ( 2.528 1.302 6.045) 6.680 6.848 ( -0.150 3.265 -1.498) 3.595 6.870 ( 1.468 -0.812 2.970) 3.411 7.150 ( -1.861 0.361 -3.127) 3.657 7.188 ( -0.314 -1.945 -1.954) 2.775 7.432 ( -2.413 -2.186 -0.373) 3.277 7.544 ( 0.018 6.129 -2.059) 6.465 7.792 ( 0.957 3.719 -1.462) 4.109 8.065 ( 1.012 2.939 -2.250) 3.838 8.203 ( -3.344 2.081 3.294) 5.134 8.235 ( -3.172 0.466 -0.627) 3.267 8.410 ( 1.321 -0.717 3.450) 3.763 8.662 ( -0.953 4.406 2.218) 5.024 8.884 ( -0.336 -1.186 2.786) 3.047 9.057 ( 0.482 1.080 -1.556) 1.955 9.341 ( 1.555 -4.012 -1.075) 4.435 ======================= Grid point 105 (50/205) ======================= q-point: (-0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -17.372 19.682 0.726) 26.262 2.209 ( -21.949 15.757 -3.857) 27.294 3.068 ( -8.508 18.064 9.297) 22.026 3.320 ( 2.735 11.379 3.934) 12.347 3.403 ( -4.925 -4.915 -7.955) 10.569 3.506 ( -9.331 8.154 3.736) 12.943 3.732 ( -4.053 -7.429 -2.004) 8.697 3.889 ( -10.915 1.228 5.172) 12.141 4.204 ( -12.901 6.012 0.676) 14.249 4.427 ( 6.987 -8.148 -1.366) 10.820 4.540 ( 2.938 -1.270 -0.431) 3.230 4.923 ( 1.526 -2.910 4.828) 5.840 5.119 ( 7.697 -6.463 3.555) 10.661 5.228 ( 7.451 -7.135 -2.941) 10.727 5.309 ( 8.526 -3.422 1.323) 9.282 5.470 ( 6.023 -6.128 4.787) 9.836 5.836 ( -2.515 0.701 -5.774) 6.337 5.869 ( -2.351 -1.324 -9.296) 9.680 6.185 ( -0.453 2.966 -2.298) 3.779 6.615 ( 0.051 -5.769 -8.359) 10.156 6.799 ( -0.993 0.750 -2.955) 3.206 6.901 ( 1.460 1.493 4.897) 5.323 6.945 ( 3.766 -0.215 2.051) 4.294 7.082 ( -2.158 1.088 -3.970) 4.648 7.159 ( -1.283 -1.231 -1.615) 2.402 7.381 ( -2.430 -1.269 -0.912) 2.890 7.538 ( 1.088 5.825 -1.842) 6.205 7.803 ( 1.066 3.269 -0.941) 3.564 8.052 ( -0.598 2.344 -2.068) 3.182 8.156 ( -2.759 1.667 -0.937) 3.357 8.176 ( -4.840 3.497 4.486) 7.468 8.445 ( -0.349 -1.000 3.072) 3.249 8.656 ( -1.631 4.414 2.321) 5.247 8.892 ( -1.339 -1.874 2.973) 3.761 9.062 ( 1.351 1.443 -1.101) 2.263 9.371 ( 2.526 -4.134 -1.309) 5.019 ======================= Grid point 106 (51/205) ======================= q-point: (-0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -17.129 21.163 3.037) 27.396 1.778 ( -20.004 20.729 -2.643) 28.928 2.818 ( -20.782 31.842 7.911) 38.838 3.191 ( -6.149 -12.512 -3.952) 14.491 3.380 ( -1.996 9.230 3.829) 10.190 3.559 ( -0.043 13.373 9.385) 16.338 3.658 ( -2.805 -9.852 -1.986) 10.435 3.747 ( -7.035 2.458 5.179) 9.075 3.973 ( -10.307 6.374 -0.750) 12.142 4.532 ( 6.509 -6.843 -3.949) 10.237 4.609 ( 4.003 -6.682 0.108) 7.790 4.971 ( -0.434 -6.206 4.294) 7.560 5.257 ( 5.783 -4.865 1.464) 7.698 5.347 ( 7.897 -6.399 -4.410) 11.080 5.459 ( 5.222 -0.949 0.899) 5.383 5.566 ( 2.721 -8.601 1.224) 9.104 5.762 ( -0.914 0.180 -4.421) 4.518 5.806 ( 1.389 -2.438 -3.595) 4.561 6.173 ( 0.301 2.733 -0.817) 2.868 6.533 ( -1.461 -4.648 -8.335) 9.655 6.771 ( 0.766 0.877 -2.788) 3.021 6.952 ( 0.997 0.530 2.332) 2.591 7.016 ( 0.188 -0.015 2.220) 2.228 7.025 ( 1.899 0.104 -5.293) 5.624 7.117 ( -2.376 0.216 -0.193) 2.394 7.328 ( -3.161 -0.767 0.314) 3.268 7.558 ( 2.749 6.028 -1.932) 6.901 7.810 ( 0.022 2.890 -0.377) 2.915 8.018 ( -1.328 2.630 -1.241) 3.197 8.100 ( -2.455 1.930 -0.653) 3.190 8.119 ( -5.445 5.494 4.770) 9.088 8.447 ( -1.767 -1.436 2.625) 3.476 8.642 ( -1.813 4.453 2.190) 5.284 8.883 ( -1.804 -1.992 2.371) 3.584 9.089 ( 1.986 1.041 -0.410) 2.279 9.408 ( 2.704 -4.167 -1.787) 5.279 ======================= Grid point 107 (52/205) ======================= q-point: (-0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -15.003 21.945 7.193) 27.540 1.546 ( -7.142 29.452 6.781) 31.055 2.549 ( -15.801 40.732 11.980) 45.302 3.103 ( -1.962 -15.352 1.414) 15.541 3.341 ( -4.878 9.254 0.344) 10.467 3.484 ( -7.849 10.854 3.955) 13.967 3.652 ( 0.279 -11.000 1.383) 11.090 3.750 ( 0.442 8.523 4.059) 9.451 3.839 ( -4.355 3.823 0.062) 5.795 4.599 ( 4.336 -5.626 -4.076) 8.189 4.674 ( 3.454 -10.029 -1.460) 10.707 4.965 ( -3.588 -8.569 3.248) 9.842 5.354 ( 4.668 -6.399 -2.473) 8.298 5.430 ( 4.796 -1.881 -6.383) 8.203 5.493 ( 1.469 -2.848 -3.041) 4.418 5.629 ( 2.483 -4.376 2.947) 5.831 5.754 ( 0.698 -3.037 -0.692) 3.192 5.820 ( 1.620 -4.275 -1.225) 4.732 6.188 ( 1.190 2.039 1.552) 2.825 6.468 ( 0.538 -3.125 -2.087) 3.797 6.793 ( 3.371 2.094 -1.465) 4.230 6.969 ( 0.083 0.010 -1.443) 1.445 6.997 ( -0.739 2.034 1.565) 2.671 7.041 ( -0.416 -2.487 -2.446) 3.513 7.094 ( 0.870 0.675 0.652) 1.280 7.275 ( -3.527 -0.015 2.284) 4.202 7.607 ( 4.158 5.754 -1.958) 7.364 7.793 ( -1.664 2.901 -0.080) 3.346 7.995 ( -0.458 3.218 -0.022) 3.251 8.049 ( -4.975 6.080 3.546) 8.619 8.065 ( -1.700 3.118 0.843) 3.650 8.424 ( -2.600 -2.137 1.994) 3.912 8.626 ( -1.560 4.590 1.874) 5.198 8.868 ( -1.509 -1.686 1.813) 2.899 9.118 ( 1.337 0.444 -0.831) 1.635 9.436 ( 1.994 -4.128 -2.325) 5.140 ======================= Grid point 108 (53/205) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 4.335 23.860 14.046) 28.025 2.172 ( 1.518 27.625 7.908) 28.775 2.746 ( 3.007 -21.293 8.291) 23.047 3.056 ( -0.297 -1.040 6.344) 6.435 3.440 ( -2.102 12.355 -3.219) 12.940 3.561 ( -3.231 10.149 5.082) 11.801 3.661 ( -4.138 12.980 3.201) 13.994 3.886 ( 1.567 7.302 -3.941) 8.444 4.006 ( -2.873 12.130 4.791) 13.354 4.431 ( 5.195 -12.194 -7.297) 15.130 4.526 ( 0.085 -10.512 2.236) 10.747 4.656 ( -7.586 -12.112 3.833) 14.796 5.224 ( 0.391 -5.964 -5.774) 8.310 5.295 ( -1.964 -7.356 -4.742) 8.969 5.435 ( 1.714 -0.801 -6.697) 6.959 5.555 ( -2.729 -6.457 -2.738) 7.526 5.786 ( 4.564 1.484 4.249) 6.410 5.823 ( 2.831 -0.646 3.243) 4.353 6.287 ( 1.766 3.430 3.601) 5.277 6.454 ( 4.045 -4.484 3.791) 7.130 6.906 ( 3.534 2.047 -2.551) 4.816 6.942 ( -1.206 -0.992 -2.657) 3.082 6.956 ( -0.403 1.435 -2.406) 2.830 7.039 ( 1.124 -1.163 0.124) 1.623 7.157 ( 0.904 1.758 3.347) 3.888 7.236 ( -2.871 -0.930 4.315) 5.266 7.761 ( 2.159 3.895 -0.936) 4.551 7.815 ( -0.418 1.934 -0.750) 2.116 8.064 ( 0.566 2.435 1.550) 2.941 8.114 ( -0.025 1.687 1.771) 2.446 8.130 ( -1.972 5.444 1.914) 6.098 8.326 ( -2.356 -3.645 1.393) 4.558 8.712 ( -0.828 4.298 1.189) 4.535 8.825 ( -0.944 -1.655 1.240) 2.273 9.157 ( 0.561 2.896 -1.876) 3.496 9.344 ( 0.698 -5.171 -2.569) 5.816 ======================= Grid point 109 (54/205) ======================= q-point: ( 0.11 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 12.817 19.450 17.656) 29.229 2.313 ( 5.571 24.571 11.142) 27.548 2.938 ( 8.632 -18.554 12.184) 23.816 3.153 ( 4.429 -2.479 8.505) 9.905 3.413 ( 3.295 12.362 -5.553) 13.947 3.517 ( -5.642 4.333 2.365) 7.497 3.670 ( 3.221 19.171 3.859) 19.819 3.922 ( 5.075 7.529 -4.294) 10.044 3.960 ( -5.526 11.762 4.346) 13.703 4.451 ( 4.024 -9.942 -9.314) 14.206 4.502 ( -7.958 -11.878 1.707) 14.399 4.584 ( 0.445 -8.852 3.476) 9.521 5.145 ( -3.962 -6.901 -5.750) 9.818 5.218 ( -1.031 -8.624 -7.765) 11.650 5.390 ( -1.285 -1.737 -5.465) 5.877 5.442 ( -6.010 -4.539 -3.210) 8.187 5.912 ( 3.288 0.247 6.114) 6.946 5.915 ( 3.786 0.014 6.652) 7.654 6.347 ( 0.908 4.880 4.239) 6.527 6.562 ( 3.400 -5.602 3.929) 7.641 6.881 ( -2.226 0.749 -4.890) 5.425 6.886 ( -1.448 0.546 -3.513) 3.839 6.961 ( 1.291 2.810 -1.305) 3.356 7.079 ( 2.676 -2.687 -0.106) 3.794 7.208 ( -0.420 0.641 4.422) 4.488 7.245 ( 1.257 -1.686 5.001) 5.425 7.765 ( -1.260 4.026 0.086) 4.220 7.823 ( 1.840 1.964 -0.952) 2.855 8.101 ( 1.227 2.201 2.289) 3.404 8.112 ( 0.654 5.862 0.392) 5.911 8.157 ( 1.109 0.537 3.365) 3.583 8.305 ( -0.413 -3.356 -0.130) 3.384 8.709 ( -0.313 4.311 0.986) 4.434 8.818 ( -0.699 -1.428 1.030) 1.894 9.144 ( -0.287 2.917 -1.897) 3.492 9.325 ( -0.439 -5.091 -2.666) 5.764 ======================= Grid point 110 (55/205) ======================= q-point: ( 0.22 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 9.700 18.372 16.331) 26.426 2.555 ( 11.017 19.135 12.188) 25.220 3.222 ( 9.922 -11.334 12.289) 19.440 3.306 ( 2.908 -2.505 5.187) 6.452 3.424 ( -1.093 0.942 -1.631) 2.178 3.488 ( 7.171 3.656 0.125) 8.050 3.818 ( -1.839 16.931 4.238) 17.550 3.850 ( 1.616 16.703 7.071) 18.210 4.027 ( 8.672 4.116 -7.129) 11.957 4.336 ( -9.019 -6.800 0.997) 11.339 4.452 ( 4.664 -7.092 -11.398) 14.211 4.645 ( 1.813 -5.666 4.209) 7.287 5.000 ( -6.814 -7.915 -5.083) 11.615 5.131 ( -1.645 -10.026 -8.291) 13.114 5.292 ( -5.912 -3.319 -2.619) 7.269 5.318 ( -4.508 -3.570 -2.742) 6.371 6.014 ( 1.821 0.664 6.610) 6.888 6.032 ( 3.052 -0.721 6.189) 6.938 6.380 ( -0.132 5.783 2.981) 6.507 6.625 ( 1.175 -5.980 1.211) 6.213 6.788 ( -2.875 1.742 -5.517) 6.461 6.834 ( -1.189 -0.356 -3.607) 3.815 6.968 ( 0.268 3.270 -0.536) 3.325 7.115 ( 1.648 -3.402 -1.238) 3.978 7.226 ( -0.673 1.914 4.156) 4.624 7.325 ( 2.188 -3.549 4.526) 6.153 7.738 ( -1.484 5.052 0.059) 5.265 7.846 ( 1.148 0.736 -0.629) 1.502 8.118 ( 1.226 5.740 -1.076) 5.967 8.169 ( 2.216 1.567 3.695) 4.584 8.207 ( 1.242 -0.191 3.586) 3.800 8.303 ( 0.544 -2.805 -1.233) 3.112 8.717 ( 0.260 4.279 1.028) 4.408 8.819 ( -0.104 -1.114 1.058) 1.540 9.121 ( -0.518 2.643 -1.621) 3.143 9.291 ( -0.947 -4.933 -2.347) 5.544 ======================= Grid point 111 (56/205) ======================= q-point: ( 0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 5.492 18.147 13.609) 23.338 2.865 ( 12.025 16.062 10.079) 22.453 3.207 ( -7.788 13.825 1.778) 15.967 3.456 ( 5.602 -6.891 -3.227) 9.450 3.519 ( 1.492 1.871 2.519) 3.475 3.650 ( 2.533 -3.073 7.029) 8.079 3.687 ( 0.755 -6.988 6.975) 9.902 4.009 ( -4.535 -7.259 -9.742) 12.968 4.159 ( 14.939 18.765 10.352) 26.124 4.295 ( 5.619 3.052 0.209) 6.398 4.450 ( 4.557 -0.374 -11.589) 12.458 4.686 ( -1.083 -0.142 1.848) 2.146 4.853 ( -4.748 -9.730 -1.502) 10.931 5.035 ( -2.988 -9.543 -3.739) 10.676 5.168 ( -5.424 -4.163 -1.472) 6.994 5.211 ( -5.353 -3.838 -1.562) 6.770 6.049 ( -1.785 1.642 2.010) 3.150 6.110 ( 0.771 -1.442 2.908) 3.336 6.399 ( 0.240 4.427 0.747) 4.496 6.625 ( -0.413 -5.876 -2.270) 6.313 6.717 ( -0.534 2.598 -2.542) 3.674 6.794 ( -0.993 -1.209 -0.440) 1.625 6.963 ( -0.068 3.695 -1.158) 3.873 7.122 ( 0.644 -3.737 -1.963) 4.270 7.246 ( -0.269 2.702 2.546) 3.722 7.381 ( 0.575 -3.954 3.076) 5.043 7.714 ( -0.935 5.509 -0.662) 5.627 7.851 ( 0.075 0.049 -0.990) 0.994 8.130 ( 1.267 5.191 -1.851) 5.655 8.228 ( 0.443 0.691 4.122) 4.202 8.263 ( 2.238 -0.302 3.176) 3.897 8.298 ( -0.158 -2.159 -1.357) 2.555 8.733 ( 0.449 4.298 1.319) 4.518 8.831 ( 0.380 -0.879 1.358) 1.662 9.102 ( -0.288 2.214 -1.336) 2.602 9.259 ( -0.662 -4.739 -1.762) 5.100 ======================= Grid point 112 (57/205) ======================= q-point: ( 0.44 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -6.606 17.782 2.279) 19.106 3.105 ( 4.529 14.856 8.074) 17.504 3.209 ( 6.205 15.852 10.515) 20.008 3.292 ( -15.198 12.332 -1.736) 19.648 3.500 ( 2.399 -7.343 -7.796) 10.976 3.747 ( -8.025 -8.629 -8.427) 14.487 3.849 ( 6.886 -14.196 7.677) 17.546 3.863 ( 2.424 -9.094 5.015) 10.665 4.342 ( -1.323 6.375 -5.087) 8.262 4.443 ( 5.872 6.962 -3.168) 9.643 4.550 ( 12.330 7.040 8.710) 16.657 4.653 ( -0.906 1.110 -0.114) 1.438 4.801 ( -1.342 -9.314 -1.179) 9.484 5.010 ( 0.119 -6.542 6.314) 9.093 5.080 ( -2.854 -4.165 -0.897) 5.128 5.114 ( -2.836 -2.852 -1.227) 4.205 6.001 ( -2.322 1.366 -3.066) 4.082 6.087 ( -2.807 -1.916 -3.522) 4.894 6.376 ( -1.487 3.697 -3.622) 5.385 6.585 ( -0.633 -5.657 -4.948) 7.542 6.744 ( 2.511 1.882 3.583) 4.763 6.802 ( 0.579 -1.178 3.320) 3.570 6.948 ( -0.144 3.971 -2.143) 4.514 7.112 ( 0.260 -3.947 -2.576) 4.721 7.250 ( -0.800 3.111 0.794) 3.309 7.395 ( -0.923 -3.624 1.477) 4.020 7.691 ( -0.523 5.594 -1.840) 5.912 7.838 ( -0.134 -0.254 -1.800) 1.823 8.134 ( 0.808 4.004 -2.103) 4.594 8.247 ( -0.692 0.073 0.864) 1.109 8.279 ( -1.452 -0.106 1.378) 2.005 8.331 ( 1.938 -1.072 3.579) 4.209 8.750 ( -0.031 4.332 1.729) 4.664 8.850 ( 0.103 -0.899 1.868) 2.076 9.091 ( 0.156 2.029 -1.241) 2.384 9.243 ( 0.238 -4.648 -1.243) 4.818 ======================= Grid point 113 (58/205) ======================= q-point: (-0.44 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -12.528 20.125 -2.544) 23.842 2.920 ( -18.109 13.807 -4.856) 23.284 3.290 ( 2.464 13.103 10.365) 16.888 3.400 ( -1.919 -8.003 -2.443) 8.585 3.458 ( -3.892 -5.513 -6.453) 9.337 3.484 ( 0.881 4.584 -0.310) 4.678 3.920 ( -3.545 -3.471 8.165) 9.554 4.024 ( 6.740 -12.257 3.194) 14.348 4.214 ( -8.227 12.007 -1.788) 14.665 4.444 ( -3.465 3.213 -1.172) 4.869 4.616 ( -2.415 2.022 -0.998) 3.304 4.776 ( 0.274 -9.060 -1.280) 9.154 4.839 ( 9.692 1.848 7.979) 12.689 5.044 ( -0.145 -4.308 3.254) 5.401 5.107 ( 4.647 -1.581 0.128) 4.910 5.166 ( 6.508 -5.640 5.787) 10.376 5.927 ( -1.765 0.320 -6.144) 6.401 5.976 ( -3.587 -1.325 -8.225) 9.071 6.310 ( -1.563 4.205 -4.508) 6.360 6.537 ( 0.132 -6.224 -5.972) 8.627 6.821 ( 1.584 0.557 3.393) 3.785 6.856 ( 2.165 -0.778 3.490) 4.180 6.928 ( -0.027 4.106 -1.591) 4.403 7.089 ( -0.378 -3.815 -3.296) 5.056 7.231 ( -1.373 3.589 -0.012) 3.842 7.376 ( -1.809 -3.074 0.438) 3.593 7.669 ( 0.123 5.725 -2.443) 6.226 7.826 ( 0.625 -0.675 -2.066) 2.261 8.125 ( -0.023 2.920 -2.015) 3.548 8.215 ( -1.737 -0.960 -2.044) 2.849 8.275 ( -2.001 3.081 4.466) 5.783 8.384 ( 0.695 -1.827 3.617) 4.111 8.756 ( -0.925 4.294 2.032) 4.840 8.860 ( -0.807 -1.223 2.374) 2.790 9.089 ( 0.816 2.256 -1.286) 2.722 9.249 ( 1.388 -4.750 -1.075) 5.064 ======================= Grid point 114 (59/205) ======================= q-point: (-0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -13.886 21.844 -2.758) 26.030 2.543 ( -17.407 16.806 -5.601) 24.835 3.118 ( -12.873 -15.137 -9.171) 21.885 3.263 ( -6.139 -11.706 -2.263) 13.411 3.473 ( 1.922 9.810 7.318) 12.388 3.670 ( 6.809 14.871 6.270) 17.517 3.867 ( -7.873 2.781 7.426) 11.174 4.016 ( -11.303 15.758 3.364) 19.683 4.173 ( 5.895 -12.060 1.084) 13.467 4.313 ( -9.873 3.742 -0.634) 10.577 4.558 ( -1.291 0.079 -1.994) 2.377 4.780 ( -0.450 -10.303 1.854) 10.478 5.051 ( 7.193 -0.441 5.390) 8.999 5.120 ( 6.336 -2.270 0.356) 6.740 5.222 ( 8.095 -4.962 -0.300) 9.499 5.322 ( 3.928 -7.306 6.104) 10.299 5.843 ( -1.622 -0.002 -6.866) 7.055 5.847 ( -2.614 -0.745 -8.977) 9.379 6.265 ( 0.055 4.664 -3.476) 5.818 6.493 ( 0.112 -6.004 -6.431) 8.799 6.829 ( 0.101 1.987 -3.740) 4.236 6.917 ( 2.022 -1.075 1.358) 2.662 6.947 ( 1.426 1.534 2.477) 3.244 7.046 ( -1.282 -2.893 -2.999) 4.360 7.206 ( -1.612 3.925 0.637) 4.291 7.342 ( -2.236 -2.376 0.630) 3.323 7.663 ( 1.377 5.944 -2.259) 6.506 7.828 ( 1.079 -0.941 -1.674) 2.203 8.102 ( -0.893 2.441 -1.500) 3.001 8.165 ( -1.915 -0.323 -1.655) 2.551 8.265 ( -3.031 4.435 4.591) 7.066 8.410 ( -0.998 -2.361 3.521) 4.355 8.749 ( -1.612 4.170 2.073) 4.928 8.857 ( -1.626 -1.652 2.521) 3.425 9.102 ( 1.639 2.638 -1.306) 3.369 9.275 ( 2.346 -4.958 -1.269) 5.629 ======================= Grid point 115 (60/205) ======================= q-point: (-0.22 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -16.432 20.939 -1.831) 26.680 2.254 ( -10.129 24.291 -1.268) 26.348 2.850 ( -9.778 -18.492 -4.488) 21.394 3.137 ( -6.036 -10.788 0.252) 12.365 3.531 ( -1.109 11.366 4.809) 12.391 3.719 ( -7.435 15.618 5.034) 18.015 3.822 ( -5.878 6.990 5.078) 10.450 3.886 ( -2.129 14.039 7.852) 16.226 4.113 ( -9.277 7.245 -1.942) 11.930 4.287 ( 6.427 -12.406 -1.934) 14.105 4.533 ( -0.755 -4.495 -0.549) 4.591 4.778 ( -2.584 -12.447 4.119) 13.363 5.178 ( 3.836 -1.688 1.938) 4.617 5.263 ( 9.449 -1.412 -2.317) 9.831 5.368 ( 4.102 -9.288 0.036) 10.154 5.407 ( 4.855 -4.628 2.578) 7.186 5.754 ( -0.943 -0.487 -5.892) 5.987 5.776 ( -0.244 -0.634 -4.896) 4.943 6.247 ( 0.197 4.212 -2.145) 4.730 6.436 ( -0.864 -4.760 -5.641) 7.431 6.810 ( 2.013 2.792 -4.234) 5.457 6.948 ( 1.988 -2.398 -2.982) 4.312 6.985 ( 1.112 -0.186 0.111) 1.133 7.018 ( -0.710 -0.758 1.579) 1.890 7.178 ( -2.373 4.081 1.473) 4.945 7.304 ( -2.928 -1.682 1.670) 3.767 7.684 ( 2.534 5.828 -1.922) 6.640 7.834 ( 0.622 -0.621 -1.202) 1.489 8.073 ( -1.155 2.497 -0.612) 2.819 8.125 ( -1.368 0.387 -0.718) 1.593 8.232 ( -4.351 5.242 4.156) 7.980 8.402 ( -2.768 -2.909 3.301) 5.198 8.733 ( -1.633 4.092 1.866) 4.785 8.844 ( -1.640 -1.846 2.174) 3.290 9.127 ( 2.064 2.821 -1.330) 3.740 9.311 ( 2.604 -5.124 -1.671) 5.985 ======================= Grid point 116 (61/205) ======================= q-point: (-0.11 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -9.815 23.839 5.146) 26.289 2.142 ( -3.464 27.949 3.550) 28.386 2.711 ( -3.847 -21.076 2.074) 21.524 3.058 ( -3.976 -5.313 3.543) 7.523 3.509 ( -3.430 11.821 0.887) 12.341 3.613 ( -7.059 13.468 4.862) 15.964 3.726 ( -6.665 12.288 5.353) 14.969 3.921 ( -2.081 4.801 -0.058) 5.233 4.001 ( -1.390 13.623 2.485) 13.917 4.375 ( 6.065 -12.727 -4.921) 14.933 4.520 ( -0.889 -8.278 1.328) 8.431 4.741 ( -5.220 -13.138 4.473) 14.828 5.230 ( 2.428 -3.959 -2.907) 5.479 5.355 ( -1.015 -7.390 -2.526) 7.876 5.406 ( 6.719 -1.379 -4.460) 8.182 5.539 ( 5.022 -5.380 1.243) 7.464 5.723 ( 0.863 0.083 -1.532) 1.760 5.766 ( 1.909 -1.187 -1.083) 2.495 6.245 ( 0.736 3.372 0.537) 3.492 6.398 ( 0.571 -3.660 -1.332) 3.937 6.844 ( 4.384 2.728 -2.731) 5.841 6.955 ( 1.614 -2.331 -3.269) 4.328 6.987 ( -0.638 0.330 -0.696) 1.000 7.028 ( 0.343 -0.743 0.401) 0.911 7.148 ( -2.171 3.835 2.419) 5.027 7.264 ( -3.247 -1.199 3.037) 4.605 7.722 ( 2.945 5.073 -1.590) 6.078 7.830 ( -0.192 0.409 -0.860) 0.972 8.056 ( -0.525 2.618 0.467) 2.710 8.106 ( -0.527 0.911 0.554) 1.190 8.176 ( -4.509 5.799 3.131) 7.985 8.366 ( -3.480 -3.447 2.644) 5.566 8.720 ( -1.243 4.178 1.531) 4.619 8.833 ( -1.187 -1.790 1.649) 2.708 9.150 ( 1.608 2.832 -1.568) 3.614 9.338 ( 1.936 -5.186 -2.161) 5.943 ======================= Grid point 117 (62/205) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 2.970 -23.509 10.422) 25.887 2.273 ( 2.970 23.509 10.422) 25.887 2.708 ( 1.634 -23.375 5.608) 24.094 2.708 ( 1.634 23.375 5.608) 24.094 3.628 ( -3.968 -4.724 0.031) 6.169 3.628 ( -3.968 4.724 0.031) 6.169 4.037 ( 0.099 -10.120 0.945) 10.165 4.037 ( 0.099 10.120 0.945) 10.165 4.171 ( 1.745 -14.275 -0.908) 14.409 4.171 ( 1.745 14.275 -0.908) 14.409 4.409 ( -4.332 -9.109 3.537) 10.689 4.409 ( -4.332 9.109 3.537) 10.689 5.184 ( -1.453 -2.342 -5.232) 5.914 5.184 ( -1.453 2.342 -5.232) 5.914 5.452 ( -0.148 -2.928 -4.739) 5.573 5.452 ( -0.148 2.928 -4.739) 5.573 5.810 ( 3.682 -0.823 3.681) 5.271 5.810 ( 3.682 0.823 3.681) 5.271 6.366 ( 2.810 -4.119 3.509) 6.098 6.366 ( 2.810 4.119 3.509) 6.098 6.927 ( 0.913 -0.521 -2.491) 2.703 6.927 ( 0.913 0.521 -2.491) 2.703 7.002 ( 1.442 -2.369 -2.210) 3.546 7.002 ( 1.442 2.369 -2.210) 3.546 7.202 ( -2.053 -2.205 4.499) 5.415 7.202 ( -2.053 2.205 4.499) 5.415 7.820 ( 1.067 -1.512 -0.986) 2.097 7.820 ( 1.067 1.512 -0.986) 2.097 8.107 ( 0.294 -1.564 1.790) 2.395 8.107 ( 0.294 1.564 1.790) 2.395 8.240 ( -2.331 -4.718 1.552) 5.487 8.240 ( -2.331 4.718 1.552) 5.487 8.783 ( -0.781 -2.625 1.149) 2.970 8.783 ( -0.781 2.625 1.149) 2.970 9.238 ( 0.649 -4.835 -2.224) 5.361 9.238 ( 0.649 4.835 -2.224) 5.361 ======================= Grid point 119 (63/205) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 9.231 -18.439 13.182) 24.474 2.490 ( 9.231 18.439 13.182) 24.474 2.833 ( 5.647 -19.602 9.659) 22.570 2.833 ( 5.647 19.602 9.659) 22.570 3.567 ( -1.557 -2.921 -2.688) 4.263 3.567 ( -1.557 2.921 -2.688) 4.263 4.058 ( 1.141 -4.419 -0.320) 4.575 4.058 ( 1.141 4.419 -0.320) 4.575 4.196 ( 0.343 -17.034 1.692) 17.121 4.196 ( 0.343 17.034 1.692) 17.121 4.370 ( -0.895 -5.639 1.440) 5.888 4.370 ( -0.895 5.639 1.440) 5.888 5.092 ( -3.015 -2.378 -7.584) 8.501 5.092 ( -3.015 2.378 -7.584) 8.501 5.378 ( -3.481 -1.223 -4.545) 5.854 5.378 ( -3.481 1.223 -4.545) 5.854 5.916 ( 3.325 -0.092 6.387) 7.201 5.916 ( 3.325 0.092 6.387) 7.201 6.451 ( 2.372 -5.224 4.254) 7.142 6.451 ( 2.372 5.224 4.254) 7.142 6.889 ( -1.544 -0.256 -4.272) 4.550 6.889 ( -1.544 0.256 -4.272) 4.550 7.023 ( 1.803 -2.858 -1.199) 3.585 7.023 ( 1.803 2.858 -1.199) 3.585 7.221 ( 0.016 -0.797 4.818) 4.883 7.221 ( 0.016 0.797 4.818) 4.883 7.827 ( 0.316 -1.610 -0.519) 1.721 7.827 ( 0.316 1.610 -0.519) 1.721 8.138 ( 1.119 -1.597 2.728) 3.353 8.138 ( 1.119 1.597 2.728) 3.353 8.226 ( -0.075 -4.506 0.204) 4.511 8.226 ( -0.075 4.506 0.204) 4.511 8.780 ( -0.410 -2.515 0.990) 2.733 8.780 ( -0.410 2.515 0.990) 2.733 9.222 ( -0.376 -4.644 -2.287) 5.190 9.222 ( -0.376 4.644 -2.287) 5.190 ======================= Grid point 121 (64/205) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 9.837 -9.243 11.310) 17.610 2.769 ( 9.837 9.243 11.310) 17.610 3.069 ( 9.837 -10.189 13.087) 19.283 3.069 ( 9.837 10.189 13.087) 19.283 3.522 ( -0.927 -2.849 -3.705) 4.765 3.522 ( -0.927 2.849 -3.705) 4.765 4.013 ( -5.671 -5.271 -2.209) 8.051 4.013 ( -5.671 5.271 -2.209) 8.051 4.242 ( 3.763 -6.789 2.610) 8.189 4.242 ( 3.763 6.789 2.610) 8.189 4.427 ( 5.426 -10.626 1.465) 12.021 4.427 ( 5.426 10.626 1.465) 12.021 4.961 ( -3.937 -4.689 -8.646) 10.595 4.961 ( -3.937 4.689 -8.646) 10.595 5.265 ( -5.427 -1.025 -2.983) 6.277 5.265 ( -5.427 1.025 -2.983) 6.277 6.023 ( 2.400 -0.311 6.477) 6.915 6.023 ( 2.400 0.311 6.477) 6.915 6.502 ( 0.251 -5.980 2.311) 6.416 6.502 ( 0.251 5.980 2.311) 6.416 6.819 ( -1.951 -1.165 -4.641) 5.168 6.819 ( -1.951 1.165 -4.641) 5.168 7.041 ( 0.891 -3.682 -0.736) 3.859 7.041 ( 0.891 3.682 -0.736) 3.859 7.267 ( 0.927 -2.239 3.950) 4.635 7.267 ( 0.927 2.239 3.950) 4.635 7.824 ( -0.298 -2.901 -0.329) 2.935 7.824 ( -0.298 2.901 -0.329) 2.935 8.186 ( 1.616 -1.603 2.652) 3.495 8.186 ( 1.616 1.603 2.652) 3.495 8.234 ( 0.797 -4.002 -0.224) 4.087 8.234 ( 0.797 4.002 -0.224) 4.087 8.786 ( 0.175 -2.336 1.062) 2.572 8.786 ( 0.175 2.336 1.062) 2.572 9.194 ( -0.794 -4.329 -2.001) 4.834 9.194 ( -0.794 4.329 -2.001) 4.834 ======================= Grid point 123 (65/205) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 8.005 -8.350 8.919) 14.606 3.016 ( 8.005 8.350 8.919) 14.606 3.338 ( 7.225 -6.558 6.809) 11.898 3.338 ( 7.225 6.558 6.809) 11.898 3.489 ( 0.570 -10.757 2.918) 11.160 3.489 ( 0.570 10.757 2.918) 11.160 3.839 ( -9.820 -8.770 -4.696) 13.978 3.839 ( -9.820 8.770 -4.696) 13.978 4.360 ( 7.604 -3.631 -0.703) 8.456 4.360 ( 7.604 3.631 -0.703) 8.456 4.560 ( 5.679 -12.777 3.696) 14.463 4.560 ( 5.679 12.777 3.696) 14.463 4.833 ( -3.250 -8.194 -4.877) 10.074 4.833 ( -3.250 8.194 -4.877) 10.074 5.144 ( -5.142 -1.843 -2.117) 5.859 5.144 ( -5.142 1.843 -2.117) 5.859 6.081 ( -0.646 -1.423 2.651) 3.077 6.081 ( -0.646 1.423 2.651) 3.077 6.505 ( -0.503 -5.659 -0.613) 5.714 6.505 ( -0.503 5.659 -0.613) 5.714 6.763 ( -0.873 -1.829 -1.551) 2.552 6.763 ( -0.873 1.829 -1.551) 2.552 7.043 ( 0.299 -3.937 -1.523) 4.232 7.043 ( 0.299 3.937 -1.523) 4.232 7.307 ( 0.433 -3.268 2.575) 4.183 7.307 ( 0.433 3.268 2.575) 4.183 7.811 ( -0.555 -3.662 -0.843) 3.798 7.811 ( -0.555 3.662 -0.843) 3.798 8.219 ( 0.788 -3.040 -1.048) 3.311 8.219 ( 0.788 3.040 -1.048) 3.311 8.258 ( 0.948 -1.039 3.032) 3.342 8.258 ( 0.948 1.039 3.032) 3.342 8.802 ( 0.474 -2.249 1.344) 2.662 8.802 ( 0.474 2.249 1.344) 2.662 9.167 ( -0.537 -4.019 -1.540) 4.337 9.167 ( -0.537 4.019 -1.540) 4.337 ======================= Grid point 125 (66/205) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -2.554 -15.405 0.208) 15.617 3.127 ( -2.554 15.405 0.208) 15.617 3.417 ( 4.276 -9.103 4.700) 11.101 3.417 ( 4.276 9.103 4.700) 11.101 3.551 ( -10.458 -8.759 -4.691) 14.426 3.551 ( -10.458 8.759 -4.691) 14.426 3.689 ( 4.677 -2.995 6.961) 8.905 3.689 ( 4.677 2.995 6.961) 8.905 4.469 ( 4.420 -5.875 -3.841) 8.295 4.469 ( 4.420 5.875 -3.841) 8.295 4.635 ( 1.737 -4.803 -1.874) 5.440 4.635 ( 1.737 4.803 -1.874) 5.440 4.818 ( 0.067 -9.982 8.833) 13.329 4.818 ( 0.067 9.982 8.833) 13.329 5.068 ( -0.656 -1.614 -1.544) 2.328 5.068 ( -0.656 1.614 -1.544) 2.328 6.041 ( -2.894 -2.320 -3.172) 4.880 6.041 ( -2.894 2.320 -3.172) 4.880 6.470 ( -1.234 -5.306 -4.071) 6.801 6.470 ( -1.234 5.306 -4.071) 6.801 6.776 ( 1.353 -1.374 3.154) 3.697 6.776 ( 1.353 1.374 3.154) 3.697 7.031 ( 0.088 -3.997 -2.293) 4.609 7.031 ( 0.088 3.997 -2.293) 4.609 7.320 ( -0.573 -3.607 1.112) 3.817 7.320 ( -0.573 3.607 1.112) 3.817 7.791 ( -0.412 -3.905 -1.874) 4.351 7.791 ( -0.412 3.905 -1.874) 4.351 8.209 ( -0.304 -3.098 -2.068) 3.737 8.209 ( -0.304 3.098 -2.068) 3.737 8.302 ( 0.589 -1.580 3.894) 4.244 8.302 ( 0.589 1.580 3.894) 4.244 8.819 ( 0.011 -2.291 1.739) 2.876 8.819 ( 0.011 2.291 1.739) 2.876 9.152 ( 0.182 -3.915 -1.182) 4.094 9.152 ( 0.182 3.915 -1.182) 4.094 ======================= Grid point 127 (67/205) ======================= q-point: (-0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -9.874 -17.530 -3.493) 20.421 2.980 ( -9.874 17.530 -3.493) 20.421 3.235 ( -14.093 -9.651 -9.980) 19.783 3.235 ( -14.093 9.651 -9.980) 19.783 3.591 ( 5.928 -9.166 8.847) 14.051 3.591 ( 5.928 9.166 8.847) 14.051 3.846 ( 4.129 -4.929 6.864) 9.405 3.846 ( 4.129 4.929 6.864) 9.405 4.435 ( -4.276 -6.564 -2.134) 8.120 4.435 ( -4.276 6.564 -2.134) 8.120 4.634 ( -1.005 -2.452 -1.531) 3.061 4.634 ( -1.005 2.452 -1.531) 3.061 4.924 ( 4.779 -6.164 6.344) 10.054 4.924 ( 4.779 6.164 6.344) 10.054 5.106 ( 3.198 -1.299 3.032) 4.594 5.106 ( 3.198 1.299 3.032) 4.594 5.946 ( -2.700 -1.368 -7.142) 7.757 5.946 ( -2.700 1.368 -7.142) 7.757 6.412 ( -0.598 -5.695 -5.200) 7.735 6.412 ( -0.598 5.695 -5.200) 7.735 6.837 ( 1.887 -0.970 3.106) 3.762 6.837 ( 1.887 0.970 3.106) 3.762 7.011 ( -0.343 -3.886 -2.277) 4.517 7.011 ( -0.343 3.886 -2.277) 4.517 7.307 ( -1.314 -3.594 0.352) 3.842 7.307 ( -1.314 3.594 0.352) 3.842 7.773 ( 0.397 -4.131 -2.385) 4.787 7.773 ( 0.397 4.131 -2.385) 4.787 8.181 ( -1.018 -2.299 -1.938) 3.174 8.181 ( -1.018 2.299 -1.938) 3.174 8.336 ( -0.328 -2.761 3.967) 4.845 8.336 ( -0.328 2.761 3.967) 4.845 8.826 ( -0.973 -2.382 2.063) 3.298 8.826 ( -0.973 2.382 2.063) 3.298 9.155 ( 1.131 -4.103 -1.097) 4.395 9.155 ( 1.131 4.103 -1.097) 4.395 ======================= Grid point 129 (68/205) ======================= q-point: (-0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -13.844 -16.766 -4.835) 22.274 2.731 ( -13.844 16.766 -4.835) 22.274 2.929 ( -10.601 -15.107 -6.690) 19.630 2.929 ( -10.601 15.107 -6.690) 19.630 3.733 ( 1.168 -10.935 8.966) 14.188 3.733 ( 1.168 10.935 8.966) 14.188 3.947 ( 2.988 -8.320 3.244) 9.416 3.947 ( 2.988 8.320 3.244) 9.416 4.321 ( -6.800 -7.032 0.497) 9.795 4.321 ( -6.800 7.032 0.497) 9.795 4.577 ( -4.168 -6.084 0.612) 7.400 4.577 ( -4.168 6.084 0.612) 7.400 5.081 ( 8.357 -3.384 1.286) 9.107 5.081 ( 8.357 3.384 1.286) 9.107 5.196 ( 2.950 -4.291 4.711) 7.022 5.196 ( 2.950 4.291 4.711) 7.022 5.840 ( -1.994 -0.059 -8.043) 8.287 5.840 ( -1.994 0.059 -8.043) 8.287 6.372 ( 0.321 -5.647 -4.849) 7.450 6.372 ( 0.321 5.647 -4.849) 7.450 6.876 ( 1.681 -2.439 -2.128) 3.648 6.876 ( 1.681 2.439 -2.128) 3.648 6.991 ( -0.593 -2.442 0.587) 2.580 6.991 ( -0.593 2.442 0.587) 2.580 7.283 ( -1.726 -3.359 0.824) 3.865 7.283 ( -1.726 3.359 0.824) 3.865 7.771 ( 1.385 -4.287 -2.154) 4.994 7.771 ( 1.385 4.287 -2.154) 4.994 8.145 ( -1.327 -1.590 -1.393) 2.496 8.145 ( -1.327 1.590 -1.393) 2.496 8.349 ( -1.833 -3.571 3.958) 5.637 8.349 ( -1.833 3.571 3.958) 5.637 8.817 ( -1.701 -2.460 2.113) 3.662 8.817 ( -1.701 2.460 2.113) 3.662 9.176 ( 2.023 -4.451 -1.246) 5.045 9.176 ( 2.023 4.451 -1.246) 5.045 ======================= Grid point 131 (69/205) ======================= q-point: (-0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -13.255 -20.194 -3.081) 24.351 2.435 ( -13.255 20.194 -3.081) 24.351 2.750 ( -5.810 -22.130 -1.638) 22.938 2.750 ( -5.810 22.130 -1.638) 22.938 3.763 ( -4.429 -7.020 7.125) 10.939 3.763 ( -4.429 7.020 7.125) 10.939 4.017 ( 2.937 -7.627 0.087) 8.174 4.017 ( 2.937 7.627 0.087) 8.174 4.210 ( -5.687 -9.222 1.712) 10.969 4.210 ( -5.687 9.222 1.712) 10.969 4.509 ( -4.426 -9.747 2.615) 11.019 4.509 ( -4.426 9.747 2.615) 11.019 5.209 ( 3.503 -4.660 0.321) 5.839 5.209 ( 3.503 4.660 0.321) 5.839 5.304 ( 6.960 -4.214 1.375) 8.252 5.304 ( 6.960 4.214 1.375) 8.252 5.760 ( -0.467 -0.827 -5.857) 5.934 5.760 ( -0.467 0.827 -5.857) 5.934 6.339 ( -0.253 -4.655 -3.692) 5.947 6.339 ( -0.253 4.655 -3.692) 5.947 6.878 ( 2.374 -3.630 -4.912) 6.553 6.878 ( 2.374 3.630 -4.912) 6.553 7.000 ( -0.050 -0.976 2.034) 2.256 7.000 ( -0.050 0.976 2.034) 2.256 7.255 ( -2.549 -3.112 1.803) 4.408 7.255 ( -2.549 3.112 1.803) 4.408 7.786 ( 1.770 -3.855 -1.774) 4.598 7.786 ( 1.770 3.855 -1.774) 4.598 8.114 ( -1.107 -1.347 -0.508) 1.816 8.114 ( -1.107 1.347 -0.508) 1.816 8.329 ( -3.534 -4.152 3.701) 6.590 8.329 ( -3.534 4.152 3.701) 6.590 8.801 ( -1.591 -2.529 1.856) 3.517 8.801 ( -1.591 2.529 1.856) 3.517 9.206 ( 2.346 -4.744 -1.526) 5.508 9.206 ( 2.346 4.744 -1.526) 5.508 ======================= Grid point 133 (70/205) ======================= q-point: (-0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -6.371 -23.521 3.548) 24.625 2.248 ( -6.371 23.521 3.548) 24.625 2.681 ( -1.979 -23.974 2.022) 24.140 2.681 ( -1.979 23.974 2.022) 24.140 3.706 ( -5.743 -4.225 3.634) 8.002 3.706 ( -5.743 4.225 3.634) 8.002 4.040 ( -0.173 -5.833 -0.234) 5.840 4.040 ( -0.173 5.833 -0.234) 5.840 4.159 ( -0.782 -11.727 0.615) 11.769 4.159 ( -0.782 11.727 0.615) 11.769 4.457 ( -4.156 -11.198 3.825) 12.542 4.457 ( -4.156 11.198 3.825) 12.542 5.227 ( 0.066 -3.637 -2.419) 4.369 5.227 ( 0.066 3.637 -2.419) 4.369 5.432 ( 5.515 -3.786 -1.661) 6.893 5.432 ( 5.515 3.786 -1.661) 6.893 5.743 ( 2.026 -1.224 -1.413) 2.757 5.743 ( 2.026 1.224 -1.413) 2.757 6.320 ( 0.572 -3.807 -0.390) 3.869 6.320 ( 0.572 3.807 -0.390) 3.869 6.901 ( 3.455 -2.760 -3.382) 5.567 6.901 ( 3.455 2.760 -3.382) 5.567 7.006 ( -0.204 -1.152 -0.152) 1.180 7.006 ( -0.204 1.152 -0.152) 1.180 7.221 ( -2.997 -2.968 3.090) 5.229 7.221 ( -2.997 2.968 3.090) 5.229 7.805 ( 1.577 -2.783 -1.417) 3.499 7.805 ( 1.577 2.783 -1.417) 3.499 8.099 ( -0.485 -1.403 0.595) 1.599 8.099 ( -0.485 1.403 0.595) 1.599 8.283 ( -3.973 -4.570 2.896) 6.712 8.283 ( -3.973 4.570 2.896) 6.712 8.790 ( -1.098 -2.606 1.478) 3.191 8.790 ( -1.098 2.606 1.478) 3.191 9.232 ( 1.784 -4.873 -1.895) 5.524 9.232 ( 1.784 4.873 -1.895) 5.524 ======================= Grid point 162 (71/205) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 11.683 0.000 26.057) 28.556 1.170 ( -8.389 0.000 28.266) 29.484 2.075 ( -5.466 0.000 49.294) 49.596 2.863 ( -3.745 0.000 -8.854) 9.614 3.112 ( -0.153 0.000 -5.123) 5.125 3.614 ( -3.392 0.000 5.210) 6.217 3.697 ( -9.036 0.000 7.278) 11.603 3.770 ( 7.041 0.000 10.543) 12.678 4.006 ( -1.109 0.000 4.541) 4.674 4.605 ( 4.115 0.000 -5.787) 7.101 4.882 ( -2.358 0.000 -6.406) 6.826 4.983 ( -1.696 0.000 -8.153) 8.327 5.389 ( 0.070 0.000 -2.749) 2.750 5.400 ( -1.119 0.000 -2.734) 2.954 5.514 ( -5.023 0.000 -10.032) 11.219 5.590 ( 1.431 0.000 -3.205) 3.510 5.918 ( 6.145 0.000 4.698) 7.735 5.982 ( 3.333 0.000 2.967) 4.463 6.251 ( -3.627 0.000 5.025) 6.198 6.769 ( -0.131 0.000 0.077) 0.152 6.821 ( 0.368 0.000 -1.720) 1.759 6.930 ( 0.689 0.000 -0.663) 0.956 6.955 ( 0.507 0.000 -6.632) 6.651 7.123 ( 3.925 0.000 -2.579) 4.697 7.268 ( -5.793 0.000 2.197) 6.196 7.412 ( 4.441 0.000 0.554) 4.475 7.463 ( 20.271 0.000 2.728) 20.453 7.604 ( -1.331 0.000 -0.956) 1.639 7.858 ( -6.022 0.000 3.341) 6.886 7.959 ( 1.979 0.000 1.788) 2.667 8.048 ( 1.773 0.000 5.689) 5.959 8.422 ( -1.413 0.000 -0.993) 1.727 8.568 ( -2.213 0.000 3.828) 4.422 8.911 ( 1.913 0.000 -1.372) 2.354 9.079 ( -7.933 0.000 1.528) 8.079 9.458 ( 1.694 0.000 -4.678) 4.975 ======================= Grid point 163 (72/205) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 4.629 0.000 25.527) 25.944 1.619 ( 20.256 0.000 24.000) 31.406 2.491 ( 10.668 0.000 44.163) 45.433 2.828 ( 8.122 0.000 -10.903) 13.595 3.093 ( 1.114 0.000 -2.970) 3.172 3.541 ( -8.119 0.000 4.406) 9.238 3.579 ( -7.989 0.000 3.198) 8.605 3.994 ( 4.130 0.000 10.153) 10.960 4.070 ( 6.173 0.000 8.684) 10.655 4.610 ( 0.889 0.000 -4.847) 4.927 4.750 ( -5.666 0.000 -9.134) 10.749 4.836 ( -5.367 0.000 -11.140) 12.365 5.295 ( -5.606 0.000 -2.294) 6.057 5.384 ( 0.428 0.000 -1.522) 1.581 5.417 ( 1.348 0.000 -9.659) 9.753 5.557 ( -1.303 0.000 -5.211) 5.372 6.075 ( 2.703 0.000 6.716) 7.239 6.100 ( 7.395 0.000 7.090) 10.245 6.182 ( -6.550 0.000 2.128) 6.887 6.714 ( -4.340 0.000 -2.561) 5.039 6.797 ( -0.141 0.000 -5.195) 5.196 6.918 ( 0.676 0.000 -5.161) 5.205 6.967 ( 2.412 0.000 2.007) 3.137 7.170 ( 1.598 0.000 -1.494) 2.188 7.189 ( -3.154 0.000 1.702) 3.584 7.476 ( 1.324 0.000 0.950) 1.630 7.573 ( -0.405 0.000 -1.868) 1.912 7.691 ( 4.462 0.000 -1.191) 4.618 7.813 ( -0.836 0.000 1.934) 2.107 8.041 ( 4.720 0.000 2.839) 5.508 8.156 ( 4.611 0.000 4.262) 6.279 8.387 ( -1.260 0.000 -1.587) 2.026 8.566 ( -1.230 0.000 3.716) 3.915 8.944 ( 2.656 0.000 -1.304) 2.959 8.963 ( -6.345 0.000 3.858) 7.425 9.446 ( 0.787 0.000 -4.131) 4.205 ======================= Grid point 164 (73/205) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 12.147 0.000 21.063) 24.315 2.119 ( 11.953 0.000 27.093) 29.613 2.947 ( 10.602 0.000 -8.491) 13.584 3.064 ( -6.065 0.000 4.117) 7.330 3.119 ( 22.554 0.000 33.136) 40.084 3.411 ( -6.820 0.000 0.763) 6.863 3.490 ( 1.044 0.000 -5.839) 5.931 4.093 ( 2.816 0.000 5.694) 6.352 4.337 ( 9.508 0.000 13.641) 16.628 4.530 ( -8.427 0.000 -10.457) 13.429 4.565 ( -2.875 0.000 -4.715) 5.522 4.639 ( -5.593 0.000 -11.196) 12.515 5.210 ( -1.084 0.000 -3.747) 3.901 5.338 ( -4.936 0.000 -1.032) 5.043 5.363 ( -0.140 0.000 -7.206) 7.207 5.489 ( -1.364 0.000 -4.652) 4.848 6.059 ( -6.471 0.000 0.032) 6.471 6.178 ( 2.066 0.000 5.598) 5.967 6.264 ( 4.409 0.000 3.951) 5.920 6.596 ( -4.586 0.000 -3.208) 5.597 6.739 ( -1.612 0.000 -4.632) 4.904 6.892 ( -0.095 0.000 -3.491) 3.493 7.032 ( 3.022 0.000 0.805) 3.127 7.118 ( -4.157 0.000 2.521) 4.862 7.215 ( 2.844 0.000 -2.763) 3.965 7.460 ( -2.836 0.000 -0.243) 2.846 7.575 ( 1.989 0.000 -2.237) 2.993 7.690 ( -1.996 0.000 -0.948) 2.210 7.838 ( 1.665 0.000 1.001) 1.943 8.166 ( 5.855 0.000 3.478) 6.810 8.249 ( 1.886 0.000 3.883) 4.317 8.351 ( -1.172 0.000 -1.967) 2.289 8.579 ( -0.595 0.000 3.642) 3.690 8.910 ( -2.796 0.000 3.763) 4.688 8.982 ( 2.548 0.000 -1.665) 3.044 9.424 ( 0.063 0.000 -3.249) 3.250 ======================= Grid point 165 (74/205) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 14.930 0.000 17.495) 22.999 2.469 ( 1.385 0.000 26.916) 26.952 2.913 ( -14.146 0.000 11.221) 18.056 2.940 ( -10.986 0.000 3.377) 11.494 3.397 ( 10.365 0.000 -11.900) 15.781 3.550 ( 12.153 0.000 -11.528) 16.750 3.783 ( 23.634 0.000 22.450) 32.597 4.191 ( 3.026 0.000 3.208) 4.410 4.266 ( -10.514 0.000 -9.656) 14.275 4.449 ( -2.517 0.000 -5.770) 6.295 4.461 ( -5.216 0.000 -3.665) 6.374 4.626 ( 6.453 0.000 11.105) 12.843 5.186 ( 1.367 0.000 -3.913) 4.145 5.223 ( -5.361 0.000 -0.580) 5.392 5.304 ( -0.390 0.000 -5.637) 5.650 5.408 ( -4.887 0.000 -2.513) 5.496 5.968 ( -1.378 0.000 -3.778) 4.021 6.207 ( -3.159 0.000 2.476) 4.014 6.245 ( -4.995 0.000 -7.111) 8.690 6.577 ( 2.376 0.000 3.085) 3.894 6.697 ( 0.623 0.000 -1.431) 1.561 6.858 ( -0.825 0.000 -2.814) 2.932 7.066 ( -3.476 0.000 2.000) 4.010 7.077 ( 1.765 0.000 -1.167) 2.116 7.238 ( 2.100 0.000 -3.107) 3.751 7.392 ( -3.187 0.000 -2.117) 3.826 7.594 ( 1.720 0.000 -1.908) 2.569 7.624 ( -3.858 0.000 -1.370) 4.094 7.884 ( 2.565 0.000 0.515) 2.616 8.289 ( -0.793 0.000 4.158) 4.233 8.290 ( 2.866 0.000 0.886) 2.999 8.319 ( 0.833 0.000 0.594) 1.023 8.600 ( -0.350 0.000 3.731) 3.747 8.912 ( -0.419 0.000 3.708) 3.732 9.005 ( 1.604 0.000 -2.293) 2.798 9.401 ( 0.004 0.000 -2.446) 2.446 ======================= Grid point 166 (75/205) ======================= q-point: (-0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -21.142 0.000 14.707) 25.754 2.492 ( 9.423 0.000 14.979) 17.696 2.688 ( -15.960 0.000 7.698) 17.720 2.908 ( -1.365 0.000 20.834) 20.879 3.483 ( 9.051 0.000 -16.783) 19.069 3.703 ( 10.348 0.000 -9.352) 13.948 3.934 ( -10.830 0.000 -5.287) 12.051 4.204 ( -1.412 0.000 -2.584) 2.945 4.260 ( -3.235 0.000 2.245) 3.938 4.432 ( 14.291 0.000 8.858) 16.814 4.435 ( 0.376 0.000 4.210) 4.227 4.763 ( -0.219 0.000 5.490) 5.494 5.174 ( 0.177 0.000 0.894) 0.912 5.190 ( 2.502 0.000 -3.862) 4.602 5.288 ( 3.621 0.000 -4.668) 5.908 5.316 ( -1.485 0.000 0.470) 1.557 5.927 ( -0.558 0.000 -6.185) 6.210 6.055 ( -6.892 0.000 -10.003) 12.147 6.127 ( -4.180 0.000 -0.382) 4.197 6.643 ( 2.269 0.000 -1.385) 2.658 6.743 ( 3.614 0.000 1.611) 3.957 6.833 ( 0.470 0.000 -0.808) 0.935 7.020 ( -3.218 0.000 1.870) 3.722 7.069 ( -0.722 0.000 -3.623) 3.695 7.240 ( 0.880 0.000 -3.604) 3.710 7.321 ( -2.306 0.000 -2.594) 3.471 7.543 ( -3.412 0.000 -1.355) 3.671 7.609 ( 1.482 0.000 -1.668) 2.231 7.932 ( 2.100 0.000 0.444) 2.147 8.250 ( -2.580 0.000 -2.331) 3.477 8.291 ( -2.709 0.000 4.570) 5.312 8.413 ( 3.367 0.000 3.465) 4.831 8.620 ( -0.782 0.000 3.963) 4.039 8.948 ( 0.905 0.000 4.174) 4.271 9.002 ( 0.307 0.000 -2.829) 2.845 9.390 ( 0.810 0.000 -2.161) 2.308 ======================= Grid point 167 (76/205) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -24.989 0.000 12.748) 28.053 2.284 ( -25.557 0.000 11.035) 27.837 2.895 ( 12.628 0.000 11.948) 17.384 2.979 ( -10.972 0.000 14.918) 18.518 3.464 ( 3.747 0.000 -15.425) 15.873 3.530 ( -17.183 0.000 4.902) 17.869 3.972 ( 11.711 0.000 -6.459) 13.374 4.121 ( -5.303 0.000 -3.349) 6.272 4.137 ( -4.277 0.000 -1.214) 4.446 4.378 ( -13.077 0.000 5.130) 14.047 4.768 ( 9.724 0.000 8.353) 12.819 4.777 ( 2.810 0.000 0.342) 2.831 5.236 ( 5.747 0.000 0.505) 5.769 5.237 ( 6.434 0.000 -4.812) 8.035 5.364 ( 7.813 0.000 -3.085) 8.400 5.397 ( 6.672 0.000 3.351) 7.466 5.820 ( -4.646 0.000 -6.080) 7.652 5.869 ( -4.672 0.000 -8.955) 10.101 6.102 ( 0.978 0.000 -0.224) 1.004 6.616 ( -0.247 0.000 -8.315) 8.318 6.829 ( 4.029 0.000 1.446) 4.281 6.876 ( 3.394 0.000 1.401) 3.672 6.977 ( -3.017 0.000 1.632) 3.430 7.001 ( -2.369 0.000 -5.327) 5.830 7.211 ( -0.649 0.000 -4.185) 4.235 7.271 ( -1.272 0.000 -1.854) 2.248 7.486 ( -2.123 0.000 -0.362) 2.154 7.623 ( 1.409 0.000 -1.537) 2.085 7.965 ( 0.895 0.000 0.929) 1.290 8.173 ( -3.853 0.000 -2.008) 4.345 8.263 ( -4.553 0.000 5.228) 6.933 8.477 ( 1.043 0.000 2.531) 2.738 8.630 ( -1.656 0.000 4.183) 4.499 8.976 ( -0.534 0.000 -2.928) 2.976 9.009 ( 1.825 0.000 4.790) 5.126 9.397 ( 1.936 0.000 -2.559) 3.209 ======================= Grid point 168 (77/205) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -25.116 0.000 13.932) 28.722 1.888 ( -27.720 0.000 14.202) 31.146 2.648 ( -32.965 0.000 12.167) 35.139 3.175 ( 7.919 0.000 9.423) 12.308 3.376 ( -7.897 0.000 8.640) 11.705 3.423 ( 3.296 0.000 -9.312) 9.878 3.944 ( -8.130 0.000 5.425) 9.774 3.985 ( -13.946 0.000 -1.658) 14.044 4.139 ( -11.267 0.000 4.375) 12.087 4.221 ( 15.221 0.000 -9.240) 17.806 4.870 ( 6.072 0.000 -0.498) 6.092 4.919 ( 3.305 0.000 2.540) 4.168 5.314 ( 5.265 0.000 -5.626) 7.705 5.362 ( 6.293 0.000 0.968) 6.367 5.519 ( 10.526 0.000 -1.490) 10.630 5.536 ( 5.300 0.000 -1.497) 5.507 5.724 ( -0.423 0.000 -1.476) 1.536 5.766 ( 0.631 0.000 -6.355) 6.387 6.131 ( 1.606 0.000 0.925) 1.853 6.534 ( -0.400 0.000 -9.691) 9.699 6.894 ( 0.929 0.000 -0.865) 1.270 6.926 ( -0.048 0.000 -3.333) 3.333 6.935 ( -2.819 0.000 3.662) 4.621 6.958 ( 4.473 0.000 -1.582) 4.745 7.158 ( -1.449 0.000 -4.077) 4.327 7.245 ( 0.041 0.000 -1.436) 1.436 7.453 ( -1.752 0.000 0.485) 1.818 7.635 ( 1.123 0.000 -1.468) 1.848 7.980 ( -0.384 0.000 1.791) 1.832 8.081 ( -4.480 0.000 -1.450) 4.709 8.203 ( -6.644 0.000 5.652) 8.723 8.494 ( -0.745 0.000 1.413) 1.597 8.625 ( -2.454 0.000 4.292) 4.945 8.942 ( -0.714 0.000 -2.663) 2.757 9.088 ( 2.500 0.000 4.941) 5.538 9.418 ( 2.735 0.000 -3.342) 4.319 ======================= Grid point 169 (78/205) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -27.245 0.000 13.077) 30.221 1.511 ( -26.947 0.000 19.194) 33.084 2.145 ( -34.526 0.000 28.342) 44.669 3.284 ( -3.705 0.000 3.650) 5.201 3.287 ( -6.154 0.000 0.950) 6.227 3.451 ( 3.693 0.000 -1.967) 4.184 3.697 ( -10.845 0.000 0.860) 10.879 3.861 ( -7.547 0.000 9.196) 11.897 4.043 ( -4.761 0.000 4.155) 6.319 4.415 ( 12.603 0.000 -7.807) 14.825 4.961 ( 1.262 0.000 -1.474) 1.940 4.966 ( 5.343 0.000 -2.365) 5.843 5.347 ( 3.387 0.000 -3.883) 5.153 5.449 ( 2.069 0.000 -0.455) 2.118 5.547 ( 0.891 0.000 -2.997) 3.127 5.646 ( 3.099 0.000 -2.981) 4.300 5.795 ( 6.059 0.000 0.014) 6.059 5.829 ( 11.289 0.000 -7.367) 13.481 6.178 ( 1.796 0.000 3.233) 3.699 6.484 ( 2.504 0.000 -2.736) 3.709 6.853 ( -2.134 0.000 -0.153) 2.140 6.915 ( -2.059 0.000 3.998) 4.497 6.946 ( 1.736 0.000 -2.464) 3.014 7.030 ( 4.147 0.000 -1.437) 4.389 7.100 ( -1.347 0.000 -3.605) 3.848 7.258 ( 2.613 0.000 -1.143) 2.852 7.419 ( -2.713 0.000 0.666) 2.793 7.639 ( 0.444 0.000 -1.310) 1.383 7.981 ( -1.456 0.000 2.928) 3.270 7.995 ( -3.765 0.000 -0.603) 3.813 8.108 ( -8.286 0.000 5.417) 9.900 8.480 ( -1.432 0.000 0.476) 1.510 8.609 ( -2.965 0.000 4.215) 5.153 8.912 ( -0.311 0.000 -2.258) 2.280 9.167 ( 2.078 0.000 3.198) 3.814 9.441 ( 2.898 0.000 -4.139) 5.052 ======================= Grid point 170 (79/205) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -22.552 0.000 19.399) 29.747 1.235 ( -21.053 0.000 25.256) 32.880 1.932 ( -19.982 0.000 44.783) 49.039 3.083 ( -13.009 0.000 -4.507) 13.768 3.182 ( -3.539 0.000 -3.786) 5.183 3.540 ( 5.589 0.000 3.525) 6.608 3.657 ( -0.748 0.000 6.338) 6.382 3.791 ( -8.272 0.000 9.274) 12.427 4.008 ( -2.822 0.000 4.388) 5.217 4.547 ( 8.044 0.000 -7.150) 10.763 4.948 ( -0.384 0.000 -4.153) 4.170 5.018 ( 2.992 0.000 -4.800) 5.656 5.392 ( 3.681 0.000 -2.897) 4.684 5.429 ( -1.509 0.000 -2.785) 3.168 5.568 ( 2.507 0.000 -1.585) 2.966 5.641 ( -0.336 0.000 -4.201) 4.214 5.876 ( 1.288 0.000 -10.012) 10.095 5.897 ( 4.936 0.000 -0.080) 4.937 6.236 ( 0.442 0.000 5.075) 5.094 6.667 ( 12.227 0.000 3.428) 12.698 6.827 ( -1.477 0.000 1.853) 2.369 6.941 ( 0.627 0.000 -3.608) 3.662 6.954 ( 4.066 0.000 1.686) 4.402 7.069 ( 2.643 0.000 -2.178) 3.425 7.105 ( 5.451 0.000 4.115) 6.830 7.322 ( 4.707 0.000 -0.234) 4.713 7.357 ( -4.780 0.000 1.010) 4.885 7.629 ( -0.515 0.000 -1.026) 1.148 7.945 ( -1.391 0.000 0.544) 1.493 7.956 ( -6.081 0.000 4.051) 7.306 8.017 ( -3.683 0.000 5.010) 6.218 8.453 ( -1.471 0.000 -0.286) 1.499 8.585 ( -2.953 0.000 4.001) 4.973 8.899 ( 0.688 0.000 -1.782) 1.910 9.182 ( -2.537 0.000 -0.175) 2.543 9.456 ( 2.476 0.000 -4.661) 5.277 ======================= Grid point 171 (80/205) ======================= q-point: ( 0.00 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 12.505 16.385 21.924) 30.092 1.465 ( -3.994 21.879 23.111) 32.074 2.285 ( -7.203 20.700 42.463) 47.786 2.930 ( -4.035 6.269 -8.737) 11.485 3.192 ( -0.371 7.471 -4.271) 8.614 3.614 ( 4.210 -6.237 8.553) 11.392 3.654 ( -5.205 0.402 4.040) 6.601 3.787 ( -4.444 3.112 9.698) 11.112 3.946 ( -0.588 -5.578 4.028) 6.905 4.612 ( 4.235 -0.008 -5.006) 6.558 4.774 ( -0.900 -8.088 -7.041) 10.761 4.977 ( -4.872 -2.227 -5.778) 7.879 5.357 ( -0.158 -2.512 -3.642) 4.428 5.370 ( 1.199 -3.443 -5.729) 6.790 5.458 ( -0.720 -4.070 -6.060) 7.335 5.619 ( -3.212 0.827 -6.669) 7.448 5.892 ( 7.521 -1.481 5.883) 9.662 5.964 ( 2.787 -1.741 4.151) 5.294 6.270 ( -2.075 1.662 4.798) 5.485 6.754 ( 2.879 -2.855 0.177) 4.058 6.817 ( 1.430 -1.568 1.580) 2.646 6.844 ( -0.932 -2.450 -5.376) 5.981 6.957 ( -0.912 -1.041 -4.070) 4.299 7.099 ( 3.690 -1.976 -2.832) 5.054 7.267 ( -1.743 -0.093 4.647) 4.964 7.335 ( 8.014 -2.848 5.980) 10.397 7.548 ( 7.585 4.768 -1.082) 9.024 7.657 ( -1.581 3.887 -1.418) 4.429 7.906 ( -5.709 4.474 2.973) 7.839 7.984 ( 2.127 2.381 1.706) 3.619 8.082 ( 1.391 2.902 5.422) 6.306 8.425 ( -1.995 -0.072 -0.521) 2.063 8.590 ( -2.133 2.205 3.501) 4.655 8.905 ( 0.598 -0.625 -0.214) 0.891 9.077 ( -4.668 -0.082 0.131) 4.670 9.434 ( 1.642 -2.293 -4.695) 5.477 ======================= Grid point 172 (81/205) ======================= q-point: ( 0.11 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 4.668 23.023 20.230) 31.002 1.758 ( 19.323 12.676 21.309) 31.434 2.629 ( 8.778 13.890 40.248) 43.473 2.884 ( 7.194 5.442 -10.138) 13.570 3.172 ( -0.026 7.269 -1.708) 7.467 3.558 ( -5.235 2.388 0.261) 5.760 3.638 ( -7.608 4.152 6.020) 10.552 3.902 ( 4.762 -8.163 11.737) 15.068 3.999 ( 3.335 -6.002 6.671) 9.573 4.627 ( 0.894 -1.604 -5.609) 5.901 4.675 ( -2.719 -3.767 -7.776) 9.058 4.795 ( -7.921 -4.131 -8.999) 12.681 5.299 ( -3.120 -0.204 -2.793) 4.192 5.343 ( 0.998 -4.342 -6.382) 7.783 5.406 ( -0.164 -1.381 -4.602) 4.807 5.519 ( -2.454 -3.273 -6.392) 7.589 6.061 ( 3.309 -1.171 6.532) 7.415 6.077 ( 5.241 -1.312 6.887) 8.753 6.233 ( -4.143 3.930 2.969) 6.436 6.718 ( -3.824 0.209 -3.364) 5.097 6.779 ( -0.524 -1.743 -6.112) 6.377 6.876 ( 2.575 -4.200 -0.943) 5.016 6.928 ( 0.046 -1.427 -0.467) 1.503 7.145 ( 3.577 -2.164 -2.919) 5.099 7.228 ( -3.955 2.870 3.673) 6.113 7.481 ( 3.006 -0.814 2.750) 4.155 7.600 ( -1.278 2.403 -1.632) 3.174 7.692 ( 5.028 0.656 -0.903) 5.151 7.853 ( -1.845 4.476 1.757) 5.151 8.063 ( 4.465 2.019 2.684) 5.587 8.173 ( 3.359 1.808 5.167) 6.422 8.384 ( -1.698 -0.482 -1.087) 2.073 8.586 ( -1.181 2.085 3.424) 4.180 8.909 ( -1.179 -1.681 1.783) 2.719 9.011 ( -1.628 2.527 -0.622) 3.070 9.421 ( 0.735 -2.404 -4.170) 4.869 ======================= Grid point 173 (82/205) ======================= q-point: ( 0.22 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 10.489 19.879 17.545) 28.513 2.224 ( 11.231 9.775 24.959) 29.062 2.981 ( 12.130 3.469 -9.403) 15.735 3.113 ( -9.361 4.569 6.540) 12.300 3.220 ( 21.546 10.016 29.690) 38.027 3.476 ( -7.832 6.105 2.027) 10.135 3.546 ( 3.263 5.204 -7.058) 9.356 4.032 ( 3.357 -5.853 6.421) 9.314 4.193 ( 7.004 -10.933 10.601) 16.762 4.482 ( -6.894 -5.241 -10.156) 13.347 4.580 ( -5.845 -4.591 -10.421) 12.800 4.630 ( -0.960 3.870 -1.611) 4.300 5.237 ( -1.061 1.605 -2.752) 3.358 5.290 ( -1.771 -5.151 -5.309) 7.607 5.340 ( -4.247 -2.126 -3.328) 5.799 5.442 ( -1.062 -4.089 -4.717) 6.332 6.073 ( -5.960 1.211 0.262) 6.087 6.166 ( 2.112 -1.051 5.352) 5.849 6.279 ( 3.328 1.396 3.335) 4.914 6.607 ( -3.723 1.066 -3.292) 5.082 6.721 ( -0.796 -1.671 -5.416) 5.724 6.880 ( 0.071 -1.244 -2.820) 3.083 6.947 ( 0.669 -4.520 1.385) 4.774 7.178 ( 1.682 -0.627 -1.779) 2.528 7.196 ( -1.433 2.063 1.470) 2.911 7.500 ( -1.883 3.278 -0.034) 3.780 7.580 ( 0.450 -0.313 -0.707) 0.895 7.719 ( -0.567 2.427 -1.442) 2.880 7.866 ( 1.812 3.348 0.648) 3.862 8.181 ( 5.475 1.372 3.422) 6.601 8.260 ( 1.579 1.131 4.581) 4.976 8.346 ( -1.321 -0.580 -1.661) 2.200 8.599 ( -0.455 2.035 3.432) 4.015 8.897 ( -1.692 -1.045 3.066) 3.655 9.005 ( 1.332 1.735 -1.818) 2.844 9.398 ( 0.081 -2.455 -3.284) 4.101 ======================= Grid point 174 (83/205) ======================= q-point: ( 0.33 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 12.973 15.701 15.313) 25.481 2.538 ( -0.242 6.717 23.937) 24.863 2.948 ( -12.049 4.728 11.272) 17.164 3.042 ( -7.084 7.971 1.467) 10.765 3.374 ( 4.640 -0.585 -8.556) 9.751 3.636 ( 12.687 6.567 -13.809) 19.869 3.849 ( 22.022 6.519 21.250) 31.289 4.142 ( 2.973 -4.547 4.144) 6.832 4.222 ( -6.951 -4.270 -7.068) 10.794 4.369 ( -0.058 -6.121 0.594) 6.150 4.438 ( -1.999 -3.398 -5.342) 6.639 4.635 ( 1.461 1.255 5.180) 5.526 5.199 ( -4.695 -2.768 -0.472) 5.471 5.213 ( -0.634 1.986 -2.253) 3.070 5.237 ( -1.747 -5.986 -5.401) 8.250 5.372 ( -3.631 -3.268 -2.391) 5.439 5.975 ( -2.484 0.633 -3.704) 4.505 6.171 ( -4.478 -2.225 -2.207) 5.466 6.276 ( -2.735 1.818 -2.846) 4.345 6.596 ( 2.395 1.476 1.317) 3.106 6.687 ( 1.149 -0.742 -1.405) 1.961 6.851 ( -0.812 -0.427 -2.162) 2.349 6.956 ( -0.595 -4.964 0.853) 5.072 7.169 ( -1.550 3.618 0.767) 4.010 7.202 ( 1.916 -2.836 -3.386) 4.814 7.446 ( -2.408 4.681 -2.292) 5.741 7.578 ( -1.177 -1.495 0.275) 1.923 7.680 ( -1.160 4.360 -2.448) 5.133 7.913 ( 2.732 2.858 0.072) 3.955 8.295 ( 0.524 0.649 1.991) 2.158 8.304 ( -0.360 0.839 1.446) 1.710 8.315 ( 2.318 -0.190 2.612) 3.497 8.621 ( -0.203 2.131 3.596) 4.185 8.904 ( -0.221 -0.660 3.373) 3.444 9.014 ( 1.202 0.756 -2.291) 2.696 9.376 ( 0.075 -2.386 -2.470) 3.436 ======================= Grid point 175 (84/205) ======================= q-point: (-0.56 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -19.543 2.846 12.739) 23.502 2.649 ( 8.487 13.031 13.390) 20.521 2.795 ( -17.008 8.891 5.493) 19.963 2.990 ( -0.585 7.860 21.203) 22.620 3.450 ( 9.133 -2.331 -14.275) 17.106 3.743 ( 10.909 1.525 -14.274) 18.030 3.933 ( -12.998 0.973 -3.834) 13.587 4.159 ( -1.717 -2.549 1.301) 3.338 4.298 ( -1.538 1.751 1.219) 2.630 4.409 ( 1.968 -2.671 4.140) 5.306 4.467 ( 13.647 3.382 8.937) 16.659 4.731 ( 2.363 -2.653 5.406) 6.469 5.121 ( -2.463 -4.320 -2.135) 5.412 5.163 ( -1.520 -2.131 0.332) 2.639 5.214 ( 2.586 -6.424 -4.547) 8.284 5.335 ( 1.888 0.564 0.936) 2.181 5.918 ( -0.649 -0.871 -5.985) 6.083 6.007 ( -6.543 -2.589 -8.752) 11.231 6.184 ( -4.129 3.432 -2.508) 5.926 6.629 ( 1.988 -2.140 -4.955) 5.752 6.749 ( 3.442 1.469 2.819) 4.685 6.833 ( 0.379 0.124 0.244) 0.467 6.943 ( -1.329 -3.908 0.819) 4.208 7.130 ( -2.478 2.676 -1.889) 4.107 7.203 ( 0.948 -2.758 -3.210) 4.337 7.385 ( -1.857 5.203 -3.180) 6.374 7.536 ( -2.889 -0.728 0.083) 2.981 7.661 ( 0.997 4.305 -2.181) 4.928 7.959 ( 2.132 2.491 0.017) 3.279 8.250 ( -2.527 -0.051 -2.089) 3.279 8.302 ( -2.645 1.025 4.491) 5.311 8.415 ( 3.205 0.118 3.503) 4.749 8.644 ( -0.672 2.249 3.863) 4.521 8.938 ( 0.685 -0.844 3.676) 3.834 9.010 ( 0.441 0.609 -2.446) 2.559 9.365 ( 0.836 -2.313 -2.180) 3.286 ======================= Grid point 176 (85/205) ======================= q-point: (-0.44 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -24.076 3.669 12.439) 27.347 2.397 ( -24.415 8.722 5.827) 26.572 2.997 ( 11.473 9.319 11.068) 18.466 3.091 ( -7.824 10.369 16.762) 21.206 3.433 ( 1.926 -2.431 -13.236) 13.594 3.619 ( -16.235 7.773 2.951) 18.240 3.860 ( 8.313 -9.303 -8.542) 15.120 4.084 ( -7.599 0.149 2.058) 7.874 4.242 ( 0.200 5.103 -2.922) 5.883 4.402 ( -10.053 1.749 4.534) 11.166 4.659 ( 2.112 -6.410 3.355) 7.537 4.862 ( 7.119 4.217 4.905) 9.619 5.140 ( 7.026 -7.623 -2.222) 10.602 5.201 ( 5.387 -3.654 -0.889) 6.570 5.281 ( 6.728 -6.032 -1.184) 9.114 5.433 ( 6.499 1.223 1.837) 6.864 5.816 ( -3.952 -0.582 -7.208) 8.241 5.850 ( -3.370 -1.502 -7.736) 8.571 6.126 ( -0.442 2.029 -1.105) 2.352 6.589 ( 0.158 -2.850 -9.312) 9.740 6.807 ( 1.265 -1.552 -0.149) 2.008 6.880 ( 3.327 0.363 1.318) 3.597 6.930 ( -0.632 -1.162 1.120) 1.733 7.058 ( -2.836 2.349 -2.554) 4.482 7.185 ( -0.476 -1.754 -2.406) 3.015 7.327 ( -1.449 4.362 -3.590) 5.832 7.494 ( -1.867 0.717 0.696) 2.118 7.672 ( 1.724 4.135 -1.742) 4.806 7.989 ( 0.855 2.090 0.457) 2.304 8.178 ( -3.502 0.448 -1.861) 3.991 8.276 ( -4.309 1.265 5.148) 6.831 8.478 ( 1.083 0.018 2.620) 2.835 8.654 ( -1.592 2.315 4.062) 4.939 8.966 ( -0.330 -0.864 0.113) 0.931 9.013 ( 1.445 0.367 1.632) 2.210 9.372 ( 1.915 -2.330 -2.559) 3.955 ======================= Grid point 177 (86/205) ======================= q-point: (-0.33 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -23.465 5.666 15.485) 28.680 1.972 ( -27.004 7.322 6.599) 28.747 2.867 ( -27.056 18.941 13.735) 35.769 3.250 ( 6.191 6.968 8.286) 12.472 3.366 ( 0.483 -4.541 -7.166) 8.498 3.462 ( -5.593 7.325 7.074) 11.618 3.883 ( -2.223 -9.430 -2.986) 10.138 3.956 ( -8.785 0.835 5.518) 10.407 4.123 ( -14.794 2.771 1.332) 15.110 4.321 ( 7.420 5.198 -4.374) 10.060 4.735 ( 3.863 -8.982 0.830) 9.813 4.983 ( 4.152 1.853 1.060) 4.669 5.263 ( 6.738 -4.570 -3.492) 8.859 5.310 ( 6.642 -5.589 -1.471) 8.804 5.413 ( 6.439 -4.452 0.412) 7.839 5.563 ( 7.633 -1.406 -2.542) 8.167 5.732 ( -1.397 0.515 -2.759) 3.135 5.760 ( 0.970 -0.607 -4.704) 4.841 6.133 ( 1.085 0.370 0.446) 1.230 6.509 ( -0.253 -2.318 -9.488) 9.770 6.801 ( -0.755 -4.717 -1.337) 4.960 6.920 ( 2.032 -0.608 -4.105) 4.620 6.961 ( 1.623 1.040 2.816) 3.413 7.010 ( -0.877 2.815 0.267) 2.960 7.149 ( -1.651 -0.468 -1.728) 2.436 7.287 ( 0.167 3.452 -2.991) 4.571 7.471 ( -1.589 1.626 1.046) 2.503 7.692 ( 1.740 4.580 -1.577) 5.147 7.996 ( -0.767 1.441 1.085) 1.960 8.099 ( -3.528 1.557 -1.154) 4.025 8.222 ( -6.179 1.844 5.506) 8.479 8.498 ( -0.581 0.273 1.627) 1.749 8.649 ( -2.421 2.283 4.096) 5.278 8.943 ( -0.876 0.017 -1.765) 1.971 9.074 ( 2.117 -1.191 3.826) 4.532 9.393 ( 2.738 -2.349 -3.318) 4.901 ======================= Grid point 178 (87/205) ======================= q-point: (-0.22 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -26.271 8.571 10.412) 29.530 1.572 ( -22.243 8.394 19.602) 30.813 2.468 ( -29.124 26.543 23.195) 45.724 3.300 ( -5.208 3.983 2.275) 6.940 3.346 ( 1.488 -4.142 -0.975) 4.508 3.453 ( -4.003 7.406 1.698) 8.588 3.713 ( -8.541 0.867 0.818) 8.624 3.876 ( -5.752 -0.858 6.756) 8.914 3.969 ( -5.558 -3.416 5.049) 8.249 4.450 ( 9.600 2.082 -6.048) 11.536 4.798 ( 3.245 -9.513 -1.824) 10.216 5.045 ( 2.667 1.279 -1.242) 3.207 5.325 ( 4.411 -2.739 -4.750) 7.037 5.393 ( 3.025 -5.239 -1.498) 6.232 5.475 ( 2.020 -3.836 -2.302) 4.909 5.663 ( 2.810 -0.872 -2.228) 3.691 5.748 ( 7.637 -5.157 -3.872) 9.996 5.803 ( 4.380 -0.030 -1.550) 4.646 6.170 ( 1.716 -0.382 2.806) 3.311 6.464 ( 2.251 -1.907 -3.191) 4.346 6.780 ( -0.630 -3.755 0.240) 3.815 6.922 ( 1.235 -0.039 -2.887) 3.140 6.986 ( -0.326 1.387 2.109) 2.545 7.028 ( 2.123 0.419 -1.120) 2.437 7.103 ( -1.772 0.616 -1.248) 2.253 7.289 ( 1.683 2.556 -1.038) 3.232 7.451 ( -1.210 2.900 0.626) 3.204 7.705 ( 0.885 4.956 -1.645) 5.296 7.976 ( -2.157 0.788 0.999) 2.504 8.045 ( -2.126 3.153 0.936) 3.916 8.135 ( -7.796 2.609 5.173) 9.713 8.488 ( -1.393 0.567 0.779) 1.694 8.631 ( -2.884 2.217 3.943) 5.364 8.915 ( -0.550 0.169 -1.630) 1.729 9.135 ( 1.297 -2.554 2.748) 3.970 9.417 ( 2.928 -2.297 -4.105) 5.541 ======================= Grid point 179 (88/205) ======================= q-point: (-0.11 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -16.720 13.984 17.275) 27.812 1.435 ( -13.115 15.476 24.533) 31.834 2.233 ( -20.125 26.865 34.640) 48.235 3.140 ( -11.282 5.414 -4.213) 13.204 3.267 ( -5.125 7.591 -3.314) 9.740 3.457 ( 5.098 -7.784 4.258) 10.233 3.686 ( -1.672 3.251 4.907) 6.119 3.825 ( -6.551 1.873 8.824) 11.149 3.939 ( -2.203 -5.520 4.245) 7.304 4.555 ( 6.872 0.129 -5.989) 9.116 4.816 ( 1.321 -9.079 -4.617) 10.271 5.054 ( -0.095 0.034 -3.054) 3.055 5.365 ( 4.001 -3.255 -5.473) 7.520 5.393 ( -0.548 -3.097 -2.961) 4.320 5.487 ( 1.773 -4.722 -3.758) 6.290 5.699 ( 1.297 2.835 -0.007) 3.118 5.778 ( 2.306 -6.138 -6.694) 9.370 5.890 ( 3.995 -2.320 0.331) 4.631 6.234 ( 1.432 -0.043 4.613) 4.830 6.595 ( 10.178 -5.674 4.321) 12.428 6.788 ( 0.481 -1.679 1.843) 2.539 6.903 ( -0.766 0.114 -3.798) 3.876 6.999 ( 0.106 -0.427 -1.892) 1.942 7.056 ( 2.711 -0.672 -1.102) 3.003 7.104 ( 3.305 0.762 4.365) 5.528 7.309 ( -0.904 0.572 2.284) 2.522 7.457 ( 2.756 5.900 -0.809) 6.562 7.694 ( -0.721 4.674 -1.753) 5.044 7.953 ( -0.818 1.697 1.191) 2.228 8.009 ( -6.245 4.287 3.426) 8.313 8.049 ( -2.552 2.655 4.257) 5.629 8.462 ( -1.808 0.441 0.068) 1.862 8.608 ( -2.820 2.220 3.691) 5.148 8.901 ( 0.256 0.036 -1.136) 1.165 9.144 ( -2.039 -2.793 0.491) 3.493 9.433 ( 2.476 -2.248 -4.643) 5.722 ======================= Grid point 180 (89/205) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 10.322 21.365 18.024) 29.797 1.925 ( 0.598 22.464 19.963) 30.058 2.862 ( -6.192 31.292 25.652) 40.933 3.107 ( -4.492 10.262 -7.365) 13.407 3.323 ( 2.103 -7.913 9.255) 12.357 3.448 ( 2.393 5.234 -0.840) 5.817 3.715 ( -6.165 1.186 2.532) 6.769 3.738 ( 0.789 -6.645 2.587) 7.174 3.941 ( -5.173 7.051 9.564) 12.960 4.516 ( 2.401 -10.195 -7.829) 13.077 4.660 ( 1.603 -2.068 -1.425) 2.980 4.882 ( -8.101 -6.588 -1.845) 10.604 5.238 ( 2.609 -8.624 -8.953) 12.701 5.298 ( 0.086 -3.955 -5.862) 7.072 5.367 ( 0.763 -4.510 -4.900) 6.703 5.583 ( -3.962 -4.377 -7.724) 9.722 5.883 ( 7.345 0.458 7.193) 10.291 5.927 ( 3.480 -1.337 5.559) 6.693 6.312 ( 0.480 2.384 4.624) 5.224 6.636 ( 5.542 -6.148 2.348) 8.603 6.811 ( 0.867 1.026 -2.370) 2.724 6.855 ( -2.246 1.354 -4.323) 5.056 6.925 ( -0.647 -1.599 -2.679) 3.186 7.054 ( 3.184 -2.359 -2.908) 4.915 7.259 ( 3.441 -0.167 8.270) 8.959 7.321 ( -1.154 0.553 4.287) 4.474 7.646 ( 4.540 4.722 -1.346) 6.687 7.734 ( -1.508 3.383 -1.749) 4.096 8.021 ( -2.744 5.699 2.230) 6.707 8.051 ( -0.298 4.259 2.117) 4.766 8.145 ( 1.353 2.729 4.763) 5.654 8.408 ( -3.082 -1.614 0.727) 3.554 8.657 ( -1.819 4.075 2.653) 5.191 8.885 ( -0.893 -1.241 1.164) 1.922 9.080 ( -0.809 0.566 -1.683) 1.951 9.367 ( 1.509 -4.031 -4.650) 6.336 ======================= Grid point 181 (90/205) ======================= q-point: ( 0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 14.530 17.525 17.562) 28.752 2.140 ( 7.363 22.087 17.852) 29.339 3.010 ( 5.114 13.747 -3.115) 14.994 3.099 ( 5.135 22.280 22.282) 31.925 3.360 ( -2.835 9.415 2.444) 10.132 3.578 ( 4.662 -11.054 10.452) 15.911 3.635 ( 0.284 4.196 -4.721) 6.323 3.787 ( 0.518 -5.352 5.469) 7.669 3.913 ( -5.335 4.035 10.039) 12.064 4.457 ( -0.515 -10.575 -11.097) 15.337 4.671 ( -7.183 -5.422 -3.636) 9.707 4.694 ( -1.537 -0.569 -1.829) 2.456 5.202 ( 0.570 -9.224 -7.887) 12.150 5.246 ( -0.933 -5.872 -4.672) 7.562 5.347 ( -0.049 -3.678 -3.623) 5.163 5.446 ( -4.051 -3.816 -6.702) 8.711 6.040 ( 3.675 -0.607 6.493) 7.485 6.059 ( 4.381 -0.434 7.396) 8.607 6.322 ( -2.256 4.566 3.015) 5.918 6.686 ( 0.543 -3.999 -3.561) 5.382 6.754 ( -2.845 0.466 -5.351) 6.079 6.819 ( 0.949 -1.028 -1.276) 1.893 6.912 ( 0.397 -0.079 -1.050) 1.125 7.095 ( 3.530 -2.583 -3.243) 5.445 7.282 ( -3.136 2.185 4.808) 6.142 7.424 ( 3.814 -3.684 5.961) 7.978 7.667 ( -1.678 3.927 -1.629) 4.570 7.738 ( 3.657 3.209 -1.500) 5.092 7.981 ( -1.847 7.137 1.274) 7.481 8.114 ( 3.557 2.607 2.874) 5.264 8.219 ( 2.034 2.091 5.366) 6.108 8.361 ( -2.246 -1.795 -0.133) 2.878 8.651 ( -0.966 4.022 2.591) 4.881 8.877 ( -1.254 -1.429 1.920) 2.701 9.054 ( -0.210 1.785 -2.190) 2.833 9.352 ( 0.629 -4.122 -4.178) 5.903 ======================= Grid point 182 (91/205) ======================= q-point: ( 0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 8.710 20.393 14.834) 26.679 2.492 ( 10.363 15.369 19.571) 26.956 3.090 ( 11.295 6.829 -11.426) 17.458 3.245 ( -11.582 7.959 7.231) 15.804 3.535 ( 16.941 19.535 23.954) 35.248 3.626 ( -7.691 5.903 6.692) 11.781 3.682 ( 8.704 7.094 -10.261) 15.211 3.865 ( 4.137 -8.353 8.289) 12.474 3.966 ( 2.639 -9.193 9.266) 13.317 4.343 ( -1.811 -7.358 -10.861) 13.243 4.452 ( -7.813 -6.765 -6.573) 12.248 4.702 ( -0.374 2.459 -0.333) 2.510 5.131 ( -2.574 -9.956 -5.060) 11.461 5.195 ( -1.474 -7.127 -3.250) 7.971 5.289 ( -2.492 -2.048 -3.310) 4.622 5.353 ( -2.235 -4.346 -3.480) 6.000 6.099 ( -4.028 1.057 1.041) 4.293 6.144 ( 1.767 -0.920 4.911) 5.300 6.325 ( 0.671 3.139 1.379) 3.494 6.635 ( -1.194 0.723 -4.458) 4.671 6.677 ( -0.565 -1.667 -4.423) 4.760 6.835 ( 0.854 -2.450 -0.139) 2.598 6.906 ( -0.371 0.290 -0.810) 0.937 7.124 ( 2.524 -2.920 -3.657) 5.317 7.261 ( -2.729 2.787 3.659) 5.348 7.506 ( 0.882 -3.594 4.046) 5.483 7.614 ( -2.161 4.679 -2.151) 5.585 7.778 ( 1.735 2.861 -2.203) 4.006 7.975 ( 0.510 6.609 0.293) 6.635 8.214 ( 4.402 1.661 3.596) 5.921 8.288 ( 0.624 1.105 5.206) 5.359 8.324 ( -1.165 -1.439 -1.223) 2.219 8.662 ( -0.168 3.962 2.775) 4.840 8.874 ( -0.818 -1.078 2.456) 2.804 9.040 ( 0.527 1.670 -2.283) 2.877 9.329 ( 0.130 -4.127 -3.298) 5.285 ======================= Grid point 183 (92/205) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 5.836 16.098 13.491) 21.799 2.751 ( 1.793 14.318 15.506) 21.182 3.105 ( -7.988 10.126 12.244) 17.784 3.212 ( 7.183 6.899 -7.980) 12.762 3.420 ( -11.773 5.773 -0.314) 13.116 3.756 ( 7.797 3.225 -16.443) 18.481 4.011 ( 4.307 -7.788 5.192) 10.303 4.049 ( 13.235 10.927 12.798) 21.408 4.083 ( 5.210 -8.200 7.238) 12.115 4.270 ( 2.105 -0.467 1.945) 2.904 4.344 ( 1.643 -4.883 -4.286) 6.702 4.670 ( -2.273 1.663 -0.211) 2.825 5.047 ( -2.511 -10.733 -3.282) 11.501 5.128 ( -3.280 -5.410 -2.051) 6.650 5.231 ( -3.527 -1.044 -0.847) 3.775 5.288 ( -2.097 -4.628 -0.009) 5.080 5.996 ( -4.464 1.446 -3.715) 5.985 6.132 ( -4.133 -1.535 -4.089) 6.013 6.313 ( -1.558 1.975 -1.900) 3.153 6.596 ( 0.503 -2.115 -6.354) 6.715 6.695 ( 3.148 1.932 4.233) 5.618 6.847 ( 0.472 -0.540 0.265) 0.764 6.887 ( -0.844 -0.954 -0.779) 1.494 7.132 ( 1.623 -3.440 -3.971) 5.499 7.236 ( -2.460 2.765 1.712) 4.078 7.524 ( -1.677 -3.623 2.010) 4.470 7.560 ( -1.374 5.928 -2.468) 6.567 7.770 ( 0.062 3.674 -3.007) 4.748 7.998 ( 1.715 5.130 -0.279) 5.416 8.287 ( -1.456 -1.364 -1.156) 2.306 8.321 ( 2.547 0.943 3.298) 4.272 8.328 ( 0.516 0.861 4.582) 4.691 8.686 ( 0.106 4.000 3.147) 5.091 8.889 ( 0.096 -0.773 2.911) 3.013 9.034 ( 0.628 1.165 -2.275) 2.632 9.308 ( 0.212 -4.016 -2.475) 4.723 ======================= Grid point 184 (93/205) ======================= q-point: (-0.56 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -17.473 9.719 8.493) 21.723 2.961 ( -0.410 15.079 8.262) 17.199 3.011 ( -9.029 12.345 3.074) 15.600 3.216 ( 0.858 13.304 19.232) 23.401 3.406 ( 8.041 -1.973 -11.000) 13.768 3.681 ( -0.024 -7.092 -15.140) 16.719 3.998 ( -4.919 2.847 -3.409) 6.627 4.132 ( 0.861 0.570 3.799) 3.937 4.252 ( 2.491 -7.071 5.161) 9.101 4.375 ( 1.628 1.145 2.229) 2.988 4.566 ( 7.759 5.322 6.355) 11.354 4.685 ( 8.540 -0.612 5.185) 10.009 4.983 ( -2.726 -9.911 -2.150) 10.502 5.085 ( 0.775 -3.993 -1.437) 4.314 5.124 ( -4.075 -1.817 -1.365) 4.666 5.310 ( 1.642 -3.121 5.098) 6.199 5.898 ( -2.049 -0.666 -6.120) 6.488 5.972 ( -5.900 -0.933 -9.619) 11.322 6.245 ( -3.298 2.516 -3.053) 5.151 6.556 ( 0.920 -4.387 -7.573) 8.800 6.805 ( 3.777 2.942 4.573) 6.620 6.839 ( -1.028 0.727 -1.658) 2.082 6.886 ( 0.790 -1.470 1.941) 2.560 7.120 ( 0.236 -3.166 -3.891) 5.022 7.198 ( -2.042 2.405 0.011) 3.155 7.471 ( -3.015 -0.086 -2.511) 3.924 7.537 ( -0.743 3.547 0.256) 3.633 7.751 ( 0.749 3.640 -2.847) 4.682 8.026 ( 1.452 3.796 -0.400) 4.084 8.243 ( -2.024 -0.694 -1.830) 2.815 8.328 ( -2.324 1.437 4.505) 5.269 8.415 ( 2.669 -0.212 3.528) 4.429 8.710 ( -0.421 4.072 3.517) 5.397 8.919 ( 0.386 -0.886 3.310) 3.448 9.026 ( 0.501 1.041 -2.187) 2.473 9.300 ( 0.859 -3.934 -2.171) 4.575 ======================= Grid point 185 (94/205) ======================= q-point: (-0.44 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -20.032 11.960 8.570) 24.855 2.598 ( -22.460 10.587 -0.426) 24.833 3.234 ( 7.248 12.620 9.678) 17.477 3.342 ( -0.312 1.921 -4.565) 4.962 3.389 ( -2.709 8.885 9.448) 13.250 3.613 ( 0.978 -12.634 -6.072) 14.052 3.847 ( -8.882 11.737 0.534) 14.729 4.110 ( -6.409 2.344 4.549) 8.201 4.312 ( 2.136 -1.178 -0.860) 2.587 4.394 ( -2.894 -1.899 4.478) 5.660 4.567 ( -4.995 -0.468 0.455) 5.037 4.900 ( 2.134 -3.632 -0.079) 4.213 4.981 ( 8.935 -6.146 0.671) 10.865 5.110 ( 4.774 -2.233 0.513) 5.296 5.177 ( 6.513 -3.674 1.216) 7.576 5.416 ( 4.994 -2.985 4.730) 7.498 5.800 ( -3.594 -0.616 -9.028) 9.737 5.815 ( -1.984 -1.710 -6.989) 7.464 6.174 ( -1.539 2.497 -2.344) 3.755 6.506 ( 0.657 -4.728 -8.744) 9.962 6.787 ( -1.684 -0.316 -3.342) 3.756 6.887 ( 2.481 -0.130 -1.169) 2.745 6.934 ( 1.557 1.353 4.342) 4.807 7.077 ( -1.620 -0.653 -2.392) 2.962 7.175 ( -0.824 1.370 0.296) 1.626 7.396 ( -2.167 1.088 -3.484) 4.245 7.529 ( -0.596 3.386 0.743) 3.517 7.756 ( 1.837 3.130 -2.238) 4.264 8.041 ( 0.360 2.886 -0.041) 2.909 8.186 ( -2.536 0.154 -1.724) 3.070 8.313 ( -3.403 2.254 4.923) 6.395 8.474 ( 1.031 -0.559 2.830) 3.063 8.722 ( -1.431 4.097 3.701) 5.703 8.945 ( -0.522 -1.136 2.747) 3.018 9.025 ( 1.113 0.884 -1.168) 1.840 9.306 ( 1.822 -3.978 -2.505) 5.042 ======================= Grid point 186 (95/205) ======================= q-point: (-0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -18.965 14.188 10.964) 26.100 2.178 ( -23.023 12.728 1.632) 26.357 3.217 ( -3.312 -9.628 -7.310) 12.534 3.283 ( -13.349 16.766 12.169) 24.645 3.465 ( -0.571 13.379 8.118) 15.659 3.597 ( 1.783 -4.765 0.915) 5.169 3.737 ( -4.163 8.026 2.350) 9.342 4.003 ( -10.313 3.802 8.273) 13.757 4.208 ( -13.823 4.354 -0.403) 14.498 4.380 ( 3.901 -1.851 -2.094) 4.799 4.549 ( 2.278 -6.439 0.846) 6.882 4.950 ( 4.042 -5.405 -0.930) 6.813 5.130 ( 8.685 -7.808 -5.458) 12.891 5.216 ( 3.391 -1.332 3.646) 5.155 5.337 ( 9.076 -4.129 1.701) 10.115 5.500 ( 1.961 -4.207 -3.279) 5.684 5.731 ( 1.827 -1.152 -2.824) 3.555 5.735 ( -1.229 -1.164 -4.573) 4.876 6.155 ( 0.590 1.956 -0.654) 2.146 6.446 ( 0.310 -3.589 -8.096) 8.862 6.738 ( -0.578 -1.285 -2.703) 3.048 6.895 ( 2.294 -1.871 -5.935) 6.632 6.986 ( 0.318 1.290 3.234) 3.496 7.049 ( -0.723 0.862 0.847) 1.408 7.160 ( -1.461 1.927 0.976) 2.607 7.348 ( -0.485 1.651 -2.424) 2.973 7.526 ( -0.211 3.951 0.553) 3.996 7.776 ( 1.922 2.734 -1.907) 3.848 8.037 ( -1.061 2.499 0.509) 2.762 8.131 ( -2.113 1.165 -0.942) 2.590 8.278 ( -4.781 3.435 4.995) 7.721 8.498 ( -0.510 -0.479 2.175) 2.285 8.716 ( -2.310 4.021 3.615) 5.880 8.938 ( -1.559 -0.629 0.925) 1.919 9.052 ( 1.790 -0.435 0.726) 1.980 9.326 ( 2.692 -4.045 -3.208) 5.823 ======================= Grid point 187 (96/205) ======================= q-point: (-0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -20.738 15.104 8.964) 27.177 1.870 ( -14.289 19.367 13.247) 27.473 3.054 ( -18.298 22.989 14.049) 32.569 3.157 ( -2.066 -9.071 2.311) 9.586 3.443 ( -5.061 9.021 1.380) 10.435 3.625 ( -2.326 -7.411 -1.563) 7.923 3.718 ( -1.973 14.846 3.071) 15.288 3.849 ( -9.445 2.764 5.413) 11.232 4.006 ( -9.091 3.664 7.149) 12.132 4.445 ( 5.479 -4.663 -4.532) 8.503 4.607 ( 3.084 -6.803 -0.224) 7.473 5.005 ( 1.847 -5.369 -0.463) 5.697 5.213 ( 5.739 -7.129 -7.322) 11.720 5.294 ( 3.612 -2.947 0.575) 4.696 5.436 ( 0.354 -1.291 -4.121) 4.333 5.544 ( 7.771 -8.124 -1.533) 11.346 5.711 ( 1.623 -0.392 -0.792) 1.848 5.770 ( 2.186 -3.177 -1.123) 4.017 6.180 ( 1.732 1.547 1.600) 2.821 6.414 ( 1.934 -2.785 -3.438) 4.828 6.734 ( 1.706 -0.677 -0.897) 2.043 6.902 ( 3.204 -2.016 -4.804) 6.116 6.992 ( -0.986 0.378 0.331) 1.106 7.050 ( -0.397 0.511 0.907) 1.114 7.137 ( -1.958 2.897 1.628) 3.857 7.334 ( -0.473 1.318 0.419) 1.462 7.536 ( 1.426 5.197 -0.348) 5.400 7.788 ( 0.794 2.425 -1.946) 3.209 8.017 ( -1.361 2.948 0.854) 3.358 8.100 ( -1.195 1.936 0.817) 2.417 8.213 ( -6.344 4.691 4.499) 9.082 8.491 ( -1.871 -0.528 1.690) 2.576 8.697 ( -2.631 3.942 3.300) 5.775 8.913 ( -1.472 -0.509 0.348) 1.596 9.088 ( 1.245 -1.408 0.621) 1.979 9.351 ( 2.949 -4.024 -3.965) 6.372 ======================= Grid point 188 (97/205) ======================= q-point: (-0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -8.887 21.284 14.544) 27.267 1.818 ( -6.166 21.498 19.175) 29.460 2.877 ( -14.611 30.822 20.405) 39.747 3.194 ( 0.918 -12.634 7.721) 14.835 3.306 ( -8.422 8.138 -3.693) 12.280 3.492 ( -4.817 9.808 -3.794) 11.567 3.708 ( -0.272 -6.096 2.554) 6.615 3.798 ( -4.367 4.779 3.506) 7.362 3.951 ( -5.124 5.080 10.244) 12.530 4.500 ( 4.696 -7.554 -5.741) 10.586 4.645 ( 1.745 -5.333 -1.400) 5.783 4.993 ( -3.108 -6.020 -0.255) 6.780 5.242 ( 4.218 -7.749 -8.055) 11.946 5.329 ( 1.312 -2.587 -4.337) 5.217 5.400 ( 0.730 -4.745 -6.222) 7.859 5.657 ( 4.156 -5.561 -2.350) 7.330 5.736 ( 1.415 0.367 0.920) 1.727 5.824 ( 4.129 -3.031 2.545) 5.719 6.245 ( 2.548 1.224 3.976) 4.878 6.489 ( 6.379 -4.379 2.748) 8.211 6.777 ( 3.023 0.430 -0.379) 3.077 6.915 ( 0.395 0.306 -3.181) 3.220 6.961 ( -0.896 -1.761 -2.838) 3.458 7.042 ( 0.149 -1.078 -1.654) 1.980 7.145 ( 0.964 3.085 5.606) 6.471 7.328 ( -1.814 0.843 3.182) 3.758 7.577 ( 3.693 5.779 -1.169) 6.957 7.772 ( -0.748 2.613 -2.010) 3.380 8.010 ( -0.098 3.452 1.273) 3.680 8.101 ( -0.426 2.729 2.843) 3.964 8.122 ( -6.415 5.591 3.689) 9.275 8.457 ( -2.952 -1.051 1.270) 3.381 8.674 ( -2.418 4.002 2.925) 5.515 8.894 ( -0.926 -0.767 0.529) 1.313 9.100 ( -0.071 -1.074 -0.610) 1.237 9.367 ( 2.435 -3.984 -4.532) 6.506 ======================= Grid point 189 (98/205) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 6.869 21.264 17.161) 28.175 2.393 ( 1.919 22.628 14.244) 26.807 2.966 ( 4.875 -18.378 13.584) 23.368 3.207 ( 0.327 -8.926 6.534) 11.066 3.372 ( -3.302 13.129 -1.982) 13.682 3.697 ( -5.829 7.421 7.618) 12.127 3.732 ( -3.404 18.032 1.804) 18.439 3.794 ( -0.566 7.759 -1.998) 8.032 4.125 ( -2.496 10.171 5.937) 12.039 4.284 ( 1.633 -11.388 -6.425) 13.178 4.587 ( 0.065 -6.478 3.670) 7.446 4.715 ( -7.727 -9.847 2.382) 12.741 5.069 ( 0.767 -5.783 -9.578) 11.214 5.176 ( -2.027 -7.324 -6.989) 10.325 5.306 ( 1.661 -0.949 -6.254) 6.540 5.460 ( -2.801 -6.862 -6.630) 9.945 5.894 ( 6.703 0.584 6.596) 9.423 5.915 ( 4.568 -0.135 5.999) 7.542 6.369 ( 2.403 3.155 4.226) 5.796 6.527 ( 4.819 -4.606 2.951) 7.291 6.838 ( 1.140 1.348 -4.243) 4.596 6.875 ( -2.546 0.007 -4.304) 5.001 6.911 ( 1.016 0.878 -1.796) 2.243 7.004 ( 2.504 -2.507 -2.899) 4.578 7.274 ( 0.815 1.500 7.324) 7.520 7.328 ( -2.185 -0.233 4.983) 5.445 7.735 ( 3.108 3.709 -1.722) 5.136 7.787 ( 0.204 1.512 -2.202) 2.679 8.105 ( 1.259 3.059 2.481) 4.135 8.158 ( -2.524 3.799 2.429) 5.167 8.187 ( -0.418 2.469 3.777) 4.532 8.359 ( -3.776 -3.154 1.725) 5.213 8.744 ( -1.464 4.044 2.011) 4.748 8.856 ( -1.321 -1.658 1.714) 2.726 9.109 ( 0.743 2.361 -2.838) 3.765 9.275 ( 1.335 -4.811 -4.350) 6.622 ======================= Grid point 190 (99/205) ======================= q-point: ( 0.11 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 12.168 17.327 16.386) 26.773 2.574 ( 5.157 19.758 14.841) 25.244 3.192 ( 6.470 -7.724 6.472) 11.976 3.232 ( 4.157 -2.255 1.776) 5.052 3.434 ( 5.027 -2.633 10.558) 11.987 3.576 ( -9.195 1.989 3.227) 9.946 3.776 ( 5.916 13.834 -4.374) 15.669 3.836 ( 3.143 17.761 8.126) 19.783 4.097 ( -7.929 10.362 9.036) 15.871 4.243 ( 2.521 -8.930 -11.498) 14.775 4.534 ( -10.475 -6.570 0.942) 12.401 4.656 ( 1.688 -5.714 3.415) 6.867 4.998 ( -0.514 -8.751 -8.992) 12.558 5.076 ( -3.018 -9.287 -5.800) 11.358 5.280 ( 0.319 -2.478 -5.706) 6.230 5.351 ( -3.265 -5.101 -5.827) 8.405 6.039 ( 3.577 0.355 6.681) 7.587 6.055 ( 3.889 -0.149 7.179) 8.166 6.416 ( -0.346 4.561 2.372) 5.153 6.597 ( 1.651 -4.312 -0.931) 4.710 6.774 ( -2.520 1.151 -5.493) 6.152 6.810 ( -0.717 -0.320 -3.392) 3.482 6.930 ( 1.798 1.851 -1.804) 3.149 7.039 ( 3.280 -2.857 -3.114) 5.349 7.316 ( -2.365 1.118 5.578) 6.161 7.363 ( 1.210 -2.095 6.464) 6.901 7.748 ( -0.392 3.631 -1.893) 4.114 7.795 ( 2.549 1.847 -1.957) 3.707 8.122 ( -1.719 6.126 1.069) 6.452 8.165 ( 2.486 2.368 3.476) 4.885 8.240 ( 1.142 -0.209 4.854) 4.991 8.312 ( -2.153 -2.841 0.619) 3.618 8.739 ( -0.723 4.097 1.941) 4.591 8.848 ( -0.984 -1.523 1.856) 2.595 9.095 ( 0.339 2.523 -2.855) 3.825 9.258 ( 0.528 -4.774 -3.959) 6.224 ======================= Grid point 191 (100/205) ======================= q-point: ( 0.22 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 8.335 15.770 14.301) 22.862 2.816 ( 8.791 15.083 13.927) 22.332 3.235 ( 6.474 6.091 -8.912) 12.587 3.414 ( -7.891 7.283 5.397) 12.019 3.497 ( 7.747 -12.808 10.705) 18.403 3.639 ( 6.913 -8.972 8.907) 14.409 3.840 ( 6.286 3.525 -9.945) 12.282 3.924 ( -11.922 4.848 3.363) 13.302 4.070 ( 8.293 22.615 15.198) 28.481 4.234 ( 4.827 -0.700 -8.298) 9.626 4.350 ( -7.833 -1.866 0.225) 8.056 4.709 ( 0.653 -2.817 1.032) 3.070 4.902 ( -3.512 -10.994 -5.174) 12.648 5.007 ( -0.184 -10.015 -2.366) 10.293 5.222 ( -2.045 -4.052 -4.130) 6.137 5.256 ( -3.254 -4.720 -3.496) 6.715 6.116 ( -1.780 0.643 2.177) 2.885 6.132 ( 0.728 -0.332 4.160) 4.237 6.404 ( -1.071 4.403 -0.810) 4.603 6.584 ( -0.068 -3.913 -4.837) 6.222 6.705 ( -0.644 2.570 -1.837) 3.224 6.794 ( 0.434 -1.701 -0.425) 1.806 6.937 ( 0.632 2.468 -2.254) 3.402 7.063 ( 2.071 -3.098 -3.596) 5.179 7.310 ( -2.319 2.111 4.071) 5.139 7.422 ( 0.152 -3.856 4.798) 6.157 7.717 ( -1.033 4.818 -2.261) 5.421 7.818 ( 1.494 0.703 -2.380) 2.897 8.109 ( -0.305 5.924 0.112) 5.933 8.246 ( 2.927 1.504 4.034) 5.206 8.272 ( -0.953 -2.448 1.044) 2.826 8.308 ( 0.468 -0.575 3.212) 3.297 8.749 ( 0.079 4.089 2.192) 4.640 8.852 ( -0.272 -1.197 2.190) 2.510 9.079 ( 0.270 2.386 -2.528) 3.487 9.236 ( 0.166 -4.682 -3.141) 5.640 ======================= Grid point 192 (101/205) ======================= q-point: ( 0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -1.399 12.937 9.705) 16.233 3.067 ( 8.131 14.032 10.136) 19.125 3.290 ( 5.264 2.545 -5.646) 8.128 3.346 ( -0.582 10.570 7.166) 12.784 3.568 ( -14.047 6.011 -0.592) 15.290 3.729 ( -1.311 -4.323 -11.241) 12.115 3.799 ( 5.014 -10.859 4.654) 12.835 3.887 ( 3.795 -9.690 7.415) 12.778 4.261 ( 3.034 4.354 -3.456) 6.333 4.305 ( 4.848 5.868 1.090) 7.690 4.430 ( 12.694 12.096 13.153) 21.919 4.680 ( -2.217 -0.469 -1.266) 2.595 4.815 ( -2.404 -10.314 -2.283) 10.834 5.019 ( 1.127 -4.100 -0.123) 4.254 5.163 ( -4.311 -5.120 -2.670) 7.206 5.173 ( -1.867 -6.833 3.232) 7.786 6.032 ( -5.294 1.967 -3.749) 6.779 6.104 ( -3.912 -1.367 -4.188) 5.892 6.366 ( -1.708 3.279 -2.795) 4.634 6.530 ( -0.828 -3.882 -6.452) 7.575 6.742 ( 2.913 2.221 4.228) 5.595 6.818 ( 1.344 -1.618 2.016) 2.913 6.920 ( -0.111 3.058 -2.801) 4.149 7.062 ( 1.150 -3.400 -3.759) 5.197 7.292 ( -2.274 2.839 1.937) 4.121 7.440 ( -1.337 -4.250 2.497) 5.107 7.678 ( -0.949 5.381 -2.756) 6.120 7.810 ( 0.155 0.047 -3.149) 3.153 8.108 ( 0.227 5.137 -0.467) 5.163 8.252 ( -0.894 -2.030 -1.026) 2.444 8.332 ( 2.706 0.171 3.876) 4.730 8.339 ( -0.542 0.105 4.320) 4.356 8.773 ( 0.366 4.100 2.651) 4.896 8.872 ( 0.329 -0.968 2.650) 2.841 9.067 ( 0.338 2.202 -2.161) 3.103 9.218 ( 0.286 -4.570 -2.352) 5.147 ======================= Grid point 193 (102/205) ======================= q-point: (-0.56 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -12.899 13.745 3.559) 19.183 3.206 ( -17.435 9.754 -4.002) 20.375 3.305 ( 8.056 12.712 7.523) 16.825 3.339 ( 3.021 -4.515 -5.898) 8.019 3.471 ( -2.088 2.889 0.938) 3.686 3.533 ( -2.881 1.412 0.713) 3.287 3.946 ( 4.940 -7.730 3.574) 9.845 4.031 ( 3.184 -8.664 8.649) 12.649 4.266 ( -0.711 7.424 -0.381) 7.468 4.431 ( 5.481 4.149 0.774) 6.918 4.598 ( 0.469 -1.630 -2.499) 3.020 4.703 ( 2.797 -6.684 -0.226) 7.249 4.840 ( 3.003 4.387 8.443) 9.977 5.023 ( 1.201 -2.120 -2.312) 3.359 5.088 ( 0.189 -2.031 -0.510) 2.102 5.216 ( -0.090 -5.702 10.730) 12.151 5.900 ( -4.002 0.846 -6.873) 7.998 5.956 ( -5.393 -0.958 -9.216) 10.721 6.297 ( -2.592 2.838 -4.012) 5.556 6.462 ( -0.515 -4.622 -7.150) 8.529 6.826 ( 1.337 0.228 2.185) 2.572 6.853 ( 0.781 -0.503 0.397) 1.010 6.912 ( 1.511 3.592 0.865) 3.992 7.054 ( 0.760 -3.200 -2.468) 4.112 7.258 ( -2.001 3.352 -0.089) 3.905 7.416 ( -2.217 -3.758 0.106) 4.365 7.643 ( -0.488 5.320 -2.483) 5.891 7.786 ( 0.292 -0.431 -3.212) 3.254 8.108 ( 0.160 3.967 -0.533) 4.006 8.221 ( -1.314 -1.443 -1.541) 2.487 8.356 ( -1.204 1.222 4.306) 4.635 8.403 ( 1.802 -0.920 3.577) 4.110 8.799 ( -0.201 4.123 3.074) 5.146 8.900 ( 0.109 -1.086 3.107) 3.293 9.058 ( 0.514 2.232 -1.954) 3.010 9.211 ( 0.797 -4.532 -2.027) 5.028 ======================= Grid point 194 (103/205) ======================= q-point: (-0.44 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -15.081 16.501 3.373) 22.608 2.827 ( -18.767 11.454 -4.123) 22.370 3.216 ( -9.751 -9.227 -11.272) 17.529 3.316 ( -2.074 -14.107 -3.180) 14.609 3.506 ( 5.283 12.797 8.655) 16.328 3.694 ( 3.575 13.481 13.752) 19.587 4.017 ( 0.018 1.154 1.749) 2.095 4.120 ( 0.319 -9.733 6.240) 11.565 4.240 ( -3.966 9.016 4.270) 10.736 4.436 ( -4.426 2.848 0.292) 5.271 4.577 ( -1.839 -0.279 -2.671) 3.255 4.739 ( 2.849 -9.477 -2.299) 10.159 4.904 ( 4.233 -0.377 -0.759) 4.317 5.070 ( 5.429 -4.110 0.136) 6.811 5.177 ( 2.257 3.266 6.917) 7.975 5.327 ( 3.299 -4.862 8.509) 10.340 5.788 ( -1.947 -0.693 -7.446) 7.728 5.793 ( -3.652 -0.345 -9.545) 10.226 6.230 ( -0.947 3.092 -3.612) 4.848 6.406 ( 0.519 -4.946 -7.102) 8.670 6.794 ( -1.462 1.023 -4.372) 4.722 6.867 ( 0.840 -1.685 -3.171) 3.688 6.973 ( 1.400 2.130 4.330) 5.024 7.050 ( -0.326 -1.587 0.463) 1.685 7.230 ( -0.754 3.513 -0.181) 3.597 7.373 ( -1.571 -2.587 -1.141) 3.234 7.624 ( 0.233 5.158 -1.604) 5.406 7.778 ( 1.342 -1.034 -2.628) 3.127 8.104 ( -0.357 2.987 -0.170) 3.013 8.181 ( -1.730 -0.686 -1.330) 2.287 8.363 ( -1.781 2.473 4.260) 5.238 8.452 ( 0.657 -1.562 3.100) 3.533 8.810 ( -1.323 4.095 3.286) 5.414 8.919 ( -0.987 -1.483 3.357) 3.800 9.057 ( 1.058 2.370 -1.909) 3.221 9.216 ( 1.612 -4.619 -2.294) 5.403 ======================= Grid point 195 (104/205) ======================= q-point: (-0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -16.313 16.707 3.893) 23.673 2.491 ( -15.145 17.371 1.154) 23.075 2.975 ( -8.920 -13.610 -4.955) 17.010 3.241 ( -4.313 -16.330 0.171) 16.891 3.612 ( -0.100 12.182 5.901) 13.536 3.840 ( 1.505 14.719 10.002) 17.859 3.975 ( -5.426 7.838 3.094) 10.023 4.131 ( -5.814 3.165 6.441) 9.236 4.203 ( -2.026 -3.311 3.024) 4.921 4.295 ( -10.349 3.134 -0.058) 10.814 4.526 ( -0.008 0.387 -1.325) 1.380 4.787 ( 3.175 -9.792 -0.667) 10.315 5.008 ( 8.659 -2.689 -5.583) 10.648 5.211 ( 8.067 -6.360 1.448) 10.374 5.239 ( 0.270 1.147 4.783) 4.926 5.405 ( 0.358 -4.744 1.263) 4.923 5.698 ( -0.245 -1.030 -4.928) 5.040 5.718 ( -0.065 -1.060 -5.081) 5.191 6.211 ( 1.050 3.277 -2.010) 3.985 6.368 ( 0.874 -3.979 -5.974) 7.231 6.742 ( 0.051 1.428 -4.048) 4.293 6.846 ( 1.510 -2.767 -5.891) 6.681 7.011 ( -0.365 1.148 2.891) 3.132 7.050 ( -0.675 -0.551 1.603) 1.825 7.222 ( -0.682 3.687 0.862) 3.848 7.347 ( -0.682 -1.456 -0.283) 1.633 7.627 ( 1.226 5.349 -1.246) 5.628 7.789 ( 1.736 -1.398 -2.267) 3.179 8.092 ( -0.964 2.558 0.434) 2.768 8.143 ( -1.438 0.036 -0.595) 1.556 8.353 ( -3.024 3.658 4.123) 6.286 8.474 ( -0.855 -1.864 2.798) 3.469 8.802 ( -2.293 3.962 3.180) 5.574 8.914 ( -2.219 -1.690 2.978) 4.080 9.069 ( 1.878 2.190 -1.773) 3.387 9.233 ( 2.489 -4.755 -2.918) 6.109 ======================= Grid point 196 (105/205) ======================= q-point: (-0.22 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -14.883 18.330 7.483) 24.769 2.314 ( -8.194 22.748 7.409) 25.289 2.832 ( -5.349 -17.057 2.731) 18.083 3.178 ( -3.828 -15.701 3.466) 16.529 3.602 ( -3.920 12.585 1.685) 13.289 3.826 ( -8.284 18.403 6.018) 21.060 3.937 ( -5.892 5.529 6.061) 10.101 4.048 ( -9.717 6.614 -4.003) 12.418 4.073 ( -4.094 10.833 8.992) 14.662 4.252 ( 2.013 -10.146 -0.477) 10.355 4.542 ( 0.853 -2.203 1.384) 2.738 4.822 ( 0.334 -12.030 0.611) 12.050 5.100 ( 6.271 -2.719 -7.928) 10.468 5.278 ( 2.082 1.112 1.502) 2.798 5.311 ( 1.518 -9.375 -5.213) 10.833 5.444 ( 5.513 -3.017 1.621) 6.490 5.687 ( 1.245 -1.830 -1.128) 2.484 5.709 ( 1.939 -1.809 -1.610) 3.102 6.229 ( 1.718 2.910 0.259) 3.389 6.354 ( 1.829 -2.977 -2.585) 4.346 6.746 ( 2.942 1.622 -2.192) 4.012 6.850 ( 3.421 -2.802 -4.370) 6.217 7.006 ( -1.531 0.833 0.371) 1.782 7.043 ( -1.091 -0.829 0.294) 1.401 7.214 ( -1.328 4.195 2.178) 4.910 7.338 ( -1.153 -0.999 1.785) 2.348 7.650 ( 2.395 5.466 -1.482) 6.149 7.800 ( 1.247 -1.114 -2.241) 2.796 8.079 ( -0.947 2.672 1.001) 3.006 8.124 ( -0.585 0.471 0.728) 1.046 8.312 ( -4.824 4.697 3.792) 7.727 8.462 ( -2.766 -2.256 2.647) 4.444 8.780 ( -2.446 3.838 2.787) 5.337 8.891 ( -2.326 -1.660 2.277) 3.653 9.093 ( 2.048 1.933 -1.875) 3.383 9.258 ( 2.811 -4.825 -3.607) 6.648 ======================= Grid point 197 (106/205) ======================= q-point: (-0.11 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -5.169 21.964 13.882) 26.492 2.293 ( -2.488 23.876 11.643) 26.680 2.829 ( -0.197 -19.032 9.589) 21.312 3.163 ( -1.915 -12.809 6.559) 14.517 3.500 ( -6.639 13.222 -2.229) 14.962 3.732 ( -6.512 18.752 6.747) 20.966 3.820 ( -6.797 11.630 1.560) 13.561 3.885 ( -7.282 2.997 0.306) 7.881 4.106 ( -0.491 10.284 5.833) 11.833 4.281 ( 2.635 -11.400 -3.563) 12.231 4.564 ( -0.332 -4.607 3.165) 5.599 4.802 ( -3.600 -12.371 1.875) 13.020 5.111 ( 2.493 -3.515 -8.525) 9.552 5.257 ( -0.937 -7.382 -6.901) 10.149 5.315 ( 2.370 0.484 -4.429) 5.046 5.526 ( 1.206 -7.240 -2.956) 7.913 5.736 ( 4.934 0.431 2.973) 5.777 5.786 ( 5.218 -1.243 3.108) 6.199 6.285 ( 2.912 2.551 3.156) 4.995 6.410 ( 4.536 -3.413 2.030) 6.029 6.801 ( 4.168 1.719 -1.851) 4.874 6.889 ( 3.156 -2.173 -2.645) 4.656 6.960 ( -2.606 0.956 -2.355) 3.640 7.013 ( -1.036 -1.519 -1.985) 2.705 7.221 ( -0.589 3.944 4.899) 6.316 7.332 ( -1.926 -0.745 3.846) 4.365 7.689 ( 3.193 4.883 -1.743) 6.089 7.799 ( 0.562 -0.057 -2.273) 2.343 8.079 ( -0.087 2.918 1.624) 3.340 8.134 ( 0.397 0.600 2.369) 2.476 8.241 ( -5.601 5.523 3.200) 8.492 8.417 ( -4.105 -2.829 2.376) 5.523 8.759 ( -2.017 3.901 2.335) 4.974 8.869 ( -1.706 -1.639 1.822) 2.986 9.109 ( 1.477 2.034 -2.390) 3.468 9.275 ( 2.287 -4.827 -4.168) 6.776 ======================= Grid point 198 (107/205) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 4.197 -19.688 14.976) 25.090 2.533 ( 4.197 19.688 14.976) 25.090 2.867 ( 3.373 -19.503 10.492) 22.401 2.867 ( 3.373 19.503 10.492) 22.401 3.610 ( -5.466 -9.501 -2.266) 11.193 3.610 ( -5.466 9.501 -2.266) 11.193 4.014 ( 0.380 -9.731 -3.456) 10.333 4.014 ( 0.380 9.731 -3.456) 10.333 4.208 ( 0.524 -10.543 4.729) 11.567 4.208 ( 0.524 10.543 4.729) 11.567 4.500 ( -5.553 -6.916 5.660) 10.522 4.500 ( -5.553 6.916 5.660) 10.522 5.051 ( -2.003 -3.600 -7.815) 8.834 5.051 ( -2.003 3.600 -7.815) 8.834 5.338 ( -0.613 -4.147 -6.583) 7.804 5.338 ( -0.613 4.147 -6.583) 7.804 5.908 ( 5.800 -0.613 6.088) 8.430 5.908 ( 5.800 0.613 6.088) 8.430 6.441 ( 3.773 -3.825 3.570) 6.451 6.441 ( 3.773 3.825 3.570) 6.451 6.862 ( -0.424 -0.957 -4.094) 4.225 6.862 ( -0.424 0.957 -4.094) 4.225 6.951 ( 1.752 -2.496 -2.711) 4.080 6.951 ( 1.752 2.496 -2.711) 4.080 7.308 ( -1.380 -1.548 6.043) 6.390 7.308 ( -1.380 1.548 6.043) 6.390 7.789 ( 1.899 -1.334 -2.192) 3.192 7.789 ( 1.899 1.334 -2.192) 3.192 8.156 ( 0.984 -1.821 3.089) 3.719 8.156 ( 0.984 1.821 3.089) 3.719 8.280 ( -3.906 -4.505 2.236) 6.368 8.280 ( -3.906 4.505 2.236) 6.368 8.813 ( -1.317 -2.636 1.834) 3.471 8.813 ( -1.317 2.636 1.834) 3.471 9.179 ( 1.148 -4.277 -3.712) 5.778 9.179 ( 1.148 4.277 -3.712) 5.778 ======================= Grid point 200 (108/205) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 7.215 -11.747 13.634) 19.389 2.759 ( 7.215 11.747 13.634) 19.389 3.061 ( 7.458 -11.491 12.688) 18.672 3.061 ( 7.458 11.491 12.688) 18.672 3.519 ( -2.334 -7.073 -2.314) 7.799 3.519 ( -2.334 7.073 -2.314) 7.799 3.987 ( 0.546 -9.532 -6.475) 11.536 3.987 ( 0.546 9.532 -6.475) 11.536 4.281 ( 1.317 -6.110 6.659) 9.133 4.281 ( 1.317 6.110 6.659) 9.133 4.445 ( -3.711 -7.248 5.658) 9.915 4.445 ( -3.711 7.248 5.658) 9.915 4.931 ( -3.718 -2.979 -8.070) 9.371 4.931 ( -3.718 2.979 -8.070) 9.371 5.270 ( -1.347 -1.958 -6.239) 6.677 5.270 ( -1.347 1.958 -6.239) 6.677 6.049 ( 3.639 -0.473 6.840) 7.762 6.049 ( 3.639 0.473 6.840) 7.762 6.508 ( 1.072 -4.352 1.032) 4.599 6.508 ( 1.072 4.352 1.032) 4.599 6.797 ( -1.631 -0.959 -4.645) 5.015 6.797 ( -1.631 0.959 -4.645) 5.015 6.980 ( 2.778 -2.795 -2.754) 4.808 6.980 ( 2.778 2.795 -2.754) 4.808 7.334 ( -1.132 -0.896 6.093) 6.262 7.334 ( -1.132 0.896 6.093) 6.262 7.802 ( 1.217 -1.287 -2.121) 2.763 7.802 ( 1.217 1.287 -2.121) 2.763 8.201 ( 0.632 -1.345 3.224) 3.550 8.201 ( 0.632 1.345 3.224) 3.550 8.246 ( -1.092 -3.235 1.916) 3.915 8.246 ( -1.092 3.235 1.916) 3.915 8.808 ( -0.719 -2.561 1.804) 3.214 8.808 ( -0.719 2.561 1.804) 3.214 9.164 ( 0.456 -4.135 -3.458) 5.410 9.164 ( 0.456 4.135 -3.458) 5.410 ======================= Grid point 202 (109/205) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 7.250 -3.918 10.894) 13.660 2.991 ( 7.250 3.918 10.894) 13.660 3.293 ( 6.793 -3.746 7.057) 10.487 3.293 ( 6.793 3.746 7.057) 10.487 3.509 ( 2.103 -2.691 4.337) 5.520 3.509 ( 2.103 2.691 4.337) 5.520 3.900 ( -4.287 -3.797 -9.152) 10.796 3.900 ( -4.287 3.797 -9.152) 10.796 4.312 ( -1.055 -4.382 4.763) 6.557 4.312 ( -1.055 4.382 4.763) 6.557 4.515 ( 4.592 -16.240 5.322) 17.696 4.515 ( 4.592 16.240 5.322) 17.696 4.820 ( -1.862 -5.344 -3.641) 6.729 4.820 ( -1.862 5.344 -3.641) 6.729 5.186 ( -3.132 -1.361 -4.891) 5.965 5.186 ( -3.132 1.361 -4.891) 5.965 6.126 ( -0.376 -0.332 3.219) 3.258 6.126 ( -0.376 0.332 3.219) 3.258 6.497 ( -0.964 -4.462 -2.756) 5.332 6.497 ( -0.964 4.462 -2.756) 5.332 6.756 ( 0.041 -2.197 -1.218) 2.512 6.756 ( 0.041 2.197 -1.218) 2.512 6.997 ( 1.543 -3.189 -3.157) 4.745 6.997 ( 1.543 3.189 -3.157) 4.745 7.356 ( -1.168 -2.587 4.517) 5.335 7.356 ( -1.168 2.587 4.517) 5.335 7.797 ( 0.200 -2.707 -2.406) 3.627 7.797 ( 0.200 2.707 -2.406) 3.627 8.209 ( -0.513 -3.760 0.193) 3.799 8.209 ( -0.513 3.760 0.193) 3.799 8.281 ( 1.275 -1.792 4.093) 4.646 8.281 ( 1.275 1.792 4.093) 4.646 8.817 ( 0.062 -2.401 2.066) 3.168 8.817 ( 0.062 2.401 2.066) 3.168 9.145 ( 0.182 -3.958 -2.818) 4.862 9.145 ( 0.182 3.958 -2.818) 4.862 ======================= Grid point 204 (110/205) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 2.115 -7.170 3.769) 8.372 3.156 ( 2.115 7.170 3.769) 8.372 3.399 ( 4.004 -8.639 4.826) 10.675 3.399 ( 4.004 8.639 4.826) 10.675 3.672 ( -1.785 -6.105 2.338) 6.777 3.672 ( -1.785 6.105 2.338) 6.777 3.689 ( -1.853 -4.036 -1.896) 4.829 3.689 ( -1.853 4.036 -1.896) 4.829 4.366 ( 3.510 -5.724 2.268) 7.087 4.366 ( 3.510 5.724 2.268) 7.087 4.576 ( 1.018 -8.765 -3.485) 9.488 4.576 ( 1.018 8.765 -3.485) 9.488 4.880 ( 5.097 -12.192 10.038) 16.595 4.880 ( 5.097 12.192 10.038) 16.595 5.083 ( -3.938 -1.864 -3.911) 5.855 5.083 ( -3.938 1.864 -3.911) 5.855 6.072 ( -4.694 -1.784 -3.848) 6.326 6.072 ( -4.694 1.784 -3.848) 6.326 6.445 ( -1.655 -4.207 -4.508) 6.385 6.445 ( -1.655 4.207 -4.508) 6.385 6.783 ( 1.935 -1.812 2.840) 3.885 6.783 ( 1.935 1.812 2.840) 3.885 6.991 ( 0.710 -3.529 -3.304) 4.886 6.991 ( 0.710 3.529 -3.304) 4.886 7.358 ( -1.582 -3.615 2.200) 4.518 7.358 ( -1.582 3.615 2.200) 4.518 7.772 ( -0.515 -3.515 -2.999) 4.649 7.772 ( -0.515 3.515 -2.999) 4.649 8.197 ( -0.451 -3.444 -0.829) 3.571 8.197 ( -0.451 3.444 -0.829) 3.571 8.335 ( 0.978 -0.288 4.188) 4.311 8.335 ( 0.978 0.288 4.188) 4.311 8.841 ( 0.437 -2.312 2.505) 3.437 8.841 ( 0.437 2.312 2.505) 3.437 9.129 ( 0.278 -3.849 -2.167) 4.426 9.129 ( 0.278 3.849 -2.167) 4.426 ======================= Grid point 206 (111/205) ======================= q-point: (-0.56 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -6.472 -13.678 -0.958) 15.162 3.111 ( -6.472 13.678 -0.958) 15.162 3.371 ( -12.972 -6.041 -11.095) 18.107 3.371 ( -12.972 6.041 -11.095) 18.107 3.575 ( 6.998 -9.002 9.498) 14.840 3.575 ( 6.998 9.002 9.498) 14.840 3.871 ( 4.598 -5.597 9.406) 11.871 3.871 ( 4.598 5.597 9.406) 11.871 4.440 ( 2.011 -7.996 1.026) 8.309 4.440 ( 2.011 7.996 1.026) 8.309 4.566 ( 2.162 -3.541 -4.215) 5.914 4.566 ( 2.162 3.541 -4.215) 5.914 4.975 ( -3.191 -4.342 0.932) 5.468 4.975 ( -3.191 4.342 0.932) 5.468 5.094 ( 5.734 -4.659 9.259) 11.846 5.094 ( 5.734 4.659 9.259) 11.846 5.928 ( -5.072 -1.619 -7.941) 9.560 5.928 ( -5.072 1.619 -7.941) 9.560 6.370 ( -1.825 -4.196 -5.630) 7.255 6.370 ( -1.825 4.196 -5.630) 7.255 6.837 ( 1.008 -0.812 1.304) 1.837 6.837 ( 1.008 0.812 1.304) 1.837 6.986 ( 1.118 -3.414 -0.849) 3.692 6.986 ( 1.118 3.414 -0.849) 3.692 7.334 ( -1.721 -3.961 -0.005) 4.319 7.334 ( -1.721 3.961 -0.005) 4.319 7.739 ( -0.248 -3.793 -3.029) 4.861 7.739 ( -0.248 3.793 -3.029) 4.861 8.179 ( -0.756 -2.774 -0.996) 3.043 8.179 ( -0.756 2.774 -0.996) 3.043 8.380 ( 0.471 -1.178 3.858) 4.061 8.380 ( 0.471 1.178 3.858) 4.061 8.867 ( -0.075 -2.379 2.926) 3.772 8.867 ( -0.075 2.379 2.926) 3.772 9.122 ( 0.643 -3.892 -1.856) 4.360 9.122 ( 0.643 3.892 -1.856) 4.360 ======================= Grid point 208 (112/205) ======================= q-point: (-0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -11.947 -16.289 -2.092) 20.309 2.932 ( -11.947 16.289 -2.092) 20.309 3.064 ( -11.396 -10.680 -6.311) 16.845 3.064 ( -11.396 10.680 -6.311) 16.845 3.765 ( 5.295 -10.405 8.471) 14.424 3.765 ( 5.295 10.405 8.471) 14.424 3.989 ( 1.183 -4.976 7.214) 8.843 3.989 ( 1.183 4.976 7.214) 8.843 4.436 ( -3.591 -5.786 1.888) 7.067 4.436 ( -3.591 5.786 1.888) 7.067 4.579 ( 1.926 -3.209 -3.757) 5.303 4.579 ( 1.926 3.209 -3.757) 5.303 4.967 ( 2.731 -5.228 -0.380) 5.911 4.967 ( 2.731 5.228 -0.380) 5.911 5.244 ( 1.900 -3.257 9.070) 9.823 5.244 ( 1.900 3.257 9.070) 9.823 5.785 ( -2.976 -0.287 -8.526) 9.035 5.785 ( -2.976 0.287 -8.526) 9.035 6.307 ( 0.008 -4.438 -5.286) 6.902 6.307 ( 0.008 4.438 -5.286) 6.902 6.826 ( -0.420 -1.981 -4.038) 4.518 6.826 ( -0.420 1.981 -4.038) 4.518 7.015 ( 0.481 -1.899 2.717) 3.349 7.015 ( 0.481 1.899 2.717) 3.349 7.306 ( -0.769 -3.689 -0.628) 3.821 7.306 ( -0.769 3.689 -0.628) 3.821 7.722 ( 0.796 -4.060 -2.448) 4.807 7.722 ( 0.796 4.060 -2.448) 4.807 8.155 ( -1.095 -1.895 -0.646) 2.282 8.155 ( -1.095 1.895 -0.646) 2.282 8.412 ( -0.251 -2.248 3.539) 4.200 8.412 ( -0.251 2.248 3.539) 4.200 8.879 ( -1.268 -2.545 3.194) 4.276 8.879 ( -1.268 2.545 3.194) 4.276 9.124 ( 1.301 -4.077 -2.025) 4.734 9.124 ( 1.301 4.077 -2.025) 4.734 ======================= Grid point 210 (113/205) ======================= q-point: (-0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -13.727 -15.769 -1.367) 20.951 2.665 ( -13.727 15.769 -1.367) 20.951 2.872 ( -7.831 -18.609 0.603) 20.199 2.872 ( -7.831 18.609 0.603) 20.199 3.879 ( 0.754 -12.900 4.864) 13.807 3.879 ( 0.754 12.900 4.864) 13.807 4.034 ( -1.377 -1.927 5.726) 6.197 4.034 ( -1.377 1.927 5.726) 6.197 4.354 ( -6.432 -2.003 2.335) 7.130 4.354 ( -6.432 2.003 2.335) 7.130 4.575 ( -0.435 -8.624 -0.390) 8.644 4.575 ( -0.435 8.624 -0.390) 8.644 5.053 ( 6.952 -6.486 -2.788) 9.908 5.053 ( 6.952 6.486 -2.788) 9.908 5.309 ( -0.121 -4.411 5.164) 6.793 5.309 ( -0.121 4.411 5.164) 6.793 5.697 ( -0.475 -0.752 -5.702) 5.771 5.697 ( -0.475 0.752 -5.702) 5.771 6.286 ( 1.270 -3.914 -3.825) 5.618 6.286 ( 1.270 3.914 -3.825) 5.618 6.787 ( 0.778 -2.734 -5.048) 5.793 6.787 ( 0.778 2.734 -5.048) 5.793 7.033 ( -0.657 -0.974 2.230) 2.520 7.033 ( -0.657 0.974 2.230) 2.520 7.297 ( -0.386 -3.276 0.445) 3.329 7.297 ( -0.386 3.276 0.445) 3.329 7.728 ( 1.702 -4.233 -2.097) 5.021 7.728 ( 1.702 4.233 -2.097) 5.021 8.132 ( -1.116 -1.192 0.002) 1.633 8.132 ( -1.116 1.192 0.002) 1.633 8.423 ( -1.664 -3.030 3.390) 4.841 8.423 ( -1.664 3.030 3.390) 4.841 8.870 ( -2.362 -2.646 3.112) 4.719 8.870 ( -2.362 2.646 3.112) 4.719 9.138 ( 2.147 -4.260 -2.478) 5.376 9.138 ( 2.147 4.260 -2.478) 5.376 ======================= Grid point 212 (114/205) ======================= q-point: (-0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -9.840 -18.893 5.281) 21.946 2.457 ( -9.840 18.893 5.281) 21.946 2.777 ( -4.510 -21.619 4.042) 22.451 2.777 ( -4.510 21.619 4.042) 22.451 3.859 ( -5.079 -10.885 1.364) 12.089 3.859 ( -5.079 10.885 1.364) 12.089 4.042 ( -1.448 -2.262 3.076) 4.084 4.042 ( -1.448 2.262 3.076) 4.084 4.259 ( -5.596 -4.360 2.743) 7.607 4.259 ( -5.596 4.360 2.743) 7.607 4.561 ( -2.149 -9.843 2.999) 10.512 4.561 ( -2.149 9.843 2.999) 10.512 5.132 ( 4.687 -5.875 -6.758) 10.107 5.132 ( 4.687 5.875 -6.758) 10.107 5.354 ( 1.985 -4.934 2.623) 5.929 5.354 ( 1.985 4.934 2.623) 5.929 5.680 ( 2.121 -1.001 -1.962) 3.058 5.680 ( 2.121 1.001 -1.962) 3.058 6.291 ( 1.757 -3.082 -1.159) 3.733 6.291 ( 1.757 3.082 -1.159) 3.733 6.792 ( 3.337 -2.694 -3.354) 5.444 6.792 ( 3.337 2.694 -3.354) 5.444 7.024 ( -1.422 -0.916 0.201) 1.703 7.024 ( -1.422 0.916 0.201) 1.703 7.294 ( -1.095 -3.204 2.134) 4.002 7.294 ( -1.095 3.204 2.134) 4.002 7.748 ( 2.081 -3.833 -2.113) 4.847 7.748 ( 2.081 3.833 -2.113) 4.847 8.118 ( -0.633 -1.095 0.868) 1.534 8.118 ( -0.633 1.095 0.868) 1.534 8.400 ( -3.704 -3.732 3.278) 6.196 8.400 ( -3.704 3.732 3.278) 6.196 8.847 ( -2.426 -2.625 2.648) 4.448 8.847 ( -2.426 2.625 2.648) 4.448 9.161 ( 2.499 -4.339 -2.989) 5.831 9.161 ( 2.499 4.339 -2.989) 5.831 ======================= Grid point 214 (115/205) ======================= q-point: (-0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -2.724 -21.371 11.960) 24.641 2.407 ( -2.724 21.371 11.960) 24.641 2.773 ( -0.632 -22.043 7.214) 23.202 2.773 ( -0.632 22.043 7.214) 23.202 3.742 ( -7.149 -9.271 -0.710) 11.729 3.742 ( -7.149 9.271 -0.710) 11.729 4.032 ( -0.662 -7.732 -0.423) 7.772 4.032 ( -0.662 7.732 -0.423) 7.772 4.201 ( -3.085 -8.588 3.260) 9.690 4.201 ( -3.085 8.588 3.260) 9.690 4.541 ( -3.549 -9.098 4.946) 10.947 4.541 ( -3.549 9.098 4.946) 10.947 5.121 ( 0.848 -4.327 -7.579) 8.768 5.121 ( 0.848 4.327 -7.579) 8.768 5.384 ( 0.566 -5.740 -3.232) 6.612 5.384 ( 0.566 5.740 -3.232) 6.612 5.758 ( 5.854 -1.440 2.908) 6.693 5.758 ( 5.854 1.440 2.908) 6.693 6.344 ( 3.470 -3.075 2.385) 5.214 6.344 ( 3.470 3.075 2.385) 5.214 6.843 ( 4.003 -2.256 -2.397) 5.182 6.843 ( 4.003 2.256 -2.397) 5.182 6.984 ( -1.932 -1.301 -2.144) 3.166 6.984 ( -1.932 1.301 -2.144) 3.166 7.294 ( -1.492 -2.873 4.305) 5.387 7.294 ( -1.492 2.873 4.305) 5.387 7.769 ( 2.106 -2.768 -2.217) 4.125 7.769 ( 2.106 2.768 -2.217) 4.125 8.125 ( 0.212 -1.469 1.947) 2.448 8.125 ( 0.212 1.469 1.947) 2.448 8.343 ( -4.873 -4.325 2.930) 7.144 8.343 ( -4.873 4.325 2.930) 7.144 8.826 ( -1.828 -2.618 2.141) 3.844 8.826 ( -1.828 2.618 2.141) 3.844 9.178 ( 2.020 -4.342 -3.479) 5.919 9.178 ( 2.020 4.342 -3.479) 5.919 ======================= Grid point 243 (116/205) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 9.966 0.000 23.287) 25.330 1.699 ( -7.419 0.000 25.555) 26.610 2.649 ( -5.264 0.000 -12.949) 13.978 2.871 ( 1.929 0.000 -0.368) 1.964 3.025 ( -1.203 0.000 29.227) 29.252 3.739 ( -4.428 0.000 7.207) 8.459 3.875 ( -11.176 0.000 8.734) 14.183 4.008 ( 9.753 0.000 13.483) 16.640 4.101 ( -1.158 0.000 4.748) 4.887 4.488 ( 4.735 0.000 -5.858) 7.533 4.734 ( -4.650 0.000 -8.600) 9.777 4.783 ( -4.144 0.000 -12.725) 13.383 5.267 ( 1.299 0.000 -9.793) 9.879 5.286 ( 3.801 0.000 -7.507) 8.415 5.394 ( -6.056 0.000 -1.930) 6.356 5.506 ( 1.056 0.000 -4.357) 4.483 6.027 ( 9.075 0.000 6.143) 10.958 6.082 ( 3.754 0.000 6.327) 7.357 6.355 ( -5.852 0.000 5.501) 8.031 6.737 ( -0.341 0.000 -5.062) 5.074 6.745 ( -1.383 0.000 -2.531) 2.884 6.808 ( 2.049 0.000 -8.225) 8.476 6.961 ( 0.926 0.000 2.404) 2.577 7.073 ( 3.522 0.000 -2.276) 4.193 7.313 ( -4.945 0.000 2.466) 5.526 7.418 ( 4.277 0.000 -0.063) 4.278 7.522 ( 11.438 0.000 2.848) 11.787 7.587 ( -1.633 0.000 -0.677) 1.768 7.924 ( -6.668 0.000 3.198) 7.395 7.990 ( 3.399 0.000 1.199) 3.604 8.162 ( 1.541 0.000 5.762) 5.964 8.393 ( -1.633 0.000 -1.974) 2.562 8.651 ( -2.571 0.000 4.543) 5.220 8.875 ( 2.359 0.000 -2.308) 3.300 9.117 ( -5.702 0.000 2.422) 6.195 9.357 ( 2.623 0.000 -5.353) 5.961 ======================= Grid point 244 (117/205) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 1.787 0.000 24.174) 24.240 2.051 ( 21.204 0.000 20.151) 29.252 2.574 ( 9.017 0.000 -14.901) 17.417 2.901 ( 8.649 0.000 -12.601) 15.283 3.345 ( 4.551 0.000 39.254) 39.516 3.658 ( -10.132 0.000 7.155) 12.404 3.712 ( -14.009 0.000 8.025) 16.145 4.124 ( 0.472 0.000 4.479) 4.504 4.317 ( 10.427 0.000 13.882) 17.362 4.500 ( 0.946 0.000 -6.715) 6.782 4.549 ( -6.081 0.000 -10.620) 12.238 4.586 ( -4.661 0.000 -13.879) 14.641 5.176 ( -1.749 0.000 -8.402) 8.582 5.314 ( 4.107 0.000 -5.900) 7.188 5.324 ( -1.946 0.000 -0.213) 1.957 5.461 ( -2.327 0.000 -3.698) 4.369 6.141 ( -2.993 0.000 -1.299) 3.262 6.215 ( 5.970 0.000 3.902) 7.132 6.282 ( -3.880 0.000 8.734) 9.557 6.646 ( -4.480 0.000 -3.572) 5.730 6.705 ( -0.211 0.000 -3.524) 3.530 6.803 ( 2.537 0.000 -6.653) 7.121 6.999 ( 1.659 0.000 1.151) 2.019 7.117 ( 3.364 0.000 -2.981) 4.495 7.245 ( -4.876 0.000 3.163) 5.812 7.476 ( 1.980 0.000 -0.857) 2.157 7.537 ( -2.212 0.000 -1.886) 2.907 7.665 ( 3.467 0.000 -1.516) 3.784 7.862 ( -2.452 0.000 2.814) 3.733 8.090 ( 5.867 0.000 1.998) 6.198 8.249 ( 2.874 0.000 4.839) 5.627 8.348 ( -1.324 0.000 -2.402) 2.743 8.648 ( -1.658 0.000 4.479) 4.776 8.905 ( 2.873 0.000 -2.645) 3.905 9.038 ( -5.267 0.000 3.964) 6.592 9.362 ( 1.919 0.000 -4.240) 4.654 ======================= Grid point 245 (118/205) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 8.247 0.000 21.494) 23.022 2.577 ( 17.396 0.000 19.109) 25.841 2.715 ( 17.393 0.000 -14.718) 22.784 3.004 ( 11.857 0.000 -9.423) 15.145 3.480 ( -15.443 0.000 3.694) 15.879 3.488 ( -13.870 0.000 6.285) 15.228 3.779 ( 11.148 0.000 32.424) 34.287 4.168 ( 1.450 0.000 -0.567) 1.557 4.311 ( -7.519 0.000 -11.052) 13.367 4.407 ( -1.421 0.000 -6.949) 7.092 4.473 ( -1.534 0.000 -4.256) 4.524 4.624 ( 8.558 0.000 12.089) 14.811 5.104 ( 0.324 0.000 -6.374) 6.382 5.286 ( -2.041 0.000 -0.783) 2.186 5.303 ( -2.304 0.000 -3.328) 4.048 5.393 ( -0.817 0.000 -4.081) 4.162 5.994 ( -6.750 0.000 -5.568) 8.751 6.245 ( -2.837 0.000 -5.616) 6.292 6.316 ( -2.811 0.000 6.914) 7.464 6.588 ( -0.404 0.000 1.906) 1.948 6.674 ( -0.187 0.000 -1.422) 1.434 6.791 ( 1.830 0.000 -6.195) 6.459 7.034 ( 1.621 0.000 -0.508) 1.699 7.144 ( 1.627 0.000 -2.876) 3.305 7.188 ( -3.379 0.000 2.762) 4.364 7.430 ( -3.939 0.000 -2.776) 4.819 7.533 ( 2.256 0.000 -2.023) 3.030 7.654 ( -1.844 0.000 -2.614) 3.199 7.869 ( 0.658 0.000 2.184) 2.281 8.222 ( 6.082 0.000 1.826) 6.350 8.310 ( -0.572 0.000 -2.029) 2.108 8.326 ( 1.565 0.000 3.799) 4.109 8.659 ( -0.909 0.000 4.403) 4.496 8.934 ( 2.612 0.000 -3.084) 4.041 8.996 ( -3.034 0.000 4.895) 5.759 9.360 ( 1.016 0.000 -3.207) 3.365 ======================= Grid point 246 (119/205) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 11.450 0.000 18.772) 21.989 2.887 ( -2.522 0.000 12.082) 12.343 2.907 ( 11.608 0.000 -10.106) 15.391 3.135 ( -2.026 0.000 11.429) 11.607 3.264 ( -12.793 0.000 1.658) 12.901 3.323 ( 9.855 0.000 -9.473) 13.669 4.078 ( -7.982 0.000 -5.142) 9.495 4.147 ( 1.341 0.000 -7.394) 7.515 4.260 ( 14.920 0.000 19.669) 24.687 4.391 ( -4.935 0.000 -1.179) 5.074 4.428 ( 3.828 0.000 3.601) 5.256 4.824 ( 2.950 0.000 8.278) 8.788 5.084 ( 2.507 0.000 -5.886) 6.397 5.224 ( -3.118 0.000 0.203) 3.124 5.236 ( -2.242 0.000 -1.231) 2.558 5.332 ( -2.538 0.000 -4.979) 5.589 5.863 ( -1.897 0.000 -6.301) 6.580 6.077 ( -7.317 0.000 -9.183) 11.742 6.244 ( -7.487 0.000 1.327) 7.604 6.596 ( -0.050 0.000 -3.185) 3.185 6.702 ( 2.721 0.000 1.938) 3.340 6.789 ( 1.834 0.000 -1.907) 2.646 7.038 ( -0.202 0.000 -2.729) 2.736 7.111 ( -3.120 0.000 0.092) 3.122 7.184 ( 1.087 0.000 -0.684) 1.285 7.338 ( -2.971 0.000 -3.126) 4.312 7.556 ( 1.882 0.000 -1.891) 2.668 7.583 ( -3.187 0.000 -2.440) 4.014 7.911 ( 1.811 0.000 2.129) 2.795 8.252 ( -0.979 0.000 -2.789) 2.956 8.366 ( -0.303 0.000 3.617) 3.630 8.370 ( 5.157 0.000 2.428) 5.700 8.682 ( -0.484 0.000 4.477) 4.503 8.949 ( 1.623 0.000 -3.371) 3.741 9.001 ( -0.862 0.000 5.221) 5.291 9.350 ( 0.517 0.000 -2.765) 2.813 ======================= Grid point 247 (120/205) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -22.082 0.000 8.803) 23.772 2.806 ( 2.219 0.000 16.574) 16.722 2.864 ( -8.119 0.000 9.135) 12.222 3.152 ( 7.037 0.000 -15.551) 17.069 3.240 ( 2.835 0.000 6.987) 7.540 3.560 ( 14.406 0.000 -0.970) 14.438 3.857 ( -11.422 0.000 -3.261) 11.878 4.138 ( 1.951 0.000 -4.097) 4.537 4.280 ( -7.100 0.000 2.896) 7.668 4.533 ( 1.890 0.000 4.773) 5.134 4.671 ( 13.308 0.000 13.418) 18.898 4.825 ( -5.858 0.000 1.653) 6.087 5.089 ( 2.643 0.000 -6.113) 6.660 5.193 ( -1.534 0.000 0.793) 1.727 5.213 ( 2.500 0.000 -2.585) 3.596 5.303 ( 4.967 0.000 -2.798) 5.701 5.799 ( -1.087 0.000 -6.060) 6.156 5.875 ( -6.515 0.000 -8.048) 10.355 6.131 ( -4.171 0.000 1.106) 4.315 6.529 ( -1.328 0.000 -8.882) 8.981 6.776 ( 3.305 0.000 1.625) 3.683 6.824 ( 2.364 0.000 0.278) 2.380 6.981 ( -2.367 0.000 -4.785) 5.338 7.046 ( -3.093 0.000 -2.062) 3.718 7.194 ( -0.158 0.000 0.519) 0.542 7.282 ( -1.356 0.000 -1.276) 1.862 7.518 ( -2.162 0.000 -0.876) 2.333 7.573 ( 1.636 0.000 -1.928) 2.528 7.962 ( 1.666 0.000 2.473) 2.982 8.201 ( -2.172 0.000 -2.691) 3.458 8.376 ( -1.844 0.000 4.057) 4.456 8.466 ( 3.150 0.000 1.705) 3.582 8.707 ( -0.863 0.000 4.583) 4.663 8.941 ( 0.482 0.000 -3.321) 3.356 9.041 ( 0.677 0.000 5.119) 5.164 9.338 ( 0.796 0.000 -3.092) 3.193 ======================= Grid point 248 (121/205) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -22.607 0.000 10.100) 24.761 2.537 ( -24.376 0.000 14.370) 28.296 3.120 ( 9.024 0.000 3.189) 9.571 3.209 ( 9.276 0.000 -2.727) 9.668 3.249 ( -11.870 0.000 11.896) 16.805 3.585 ( -10.933 0.000 -2.989) 11.335 3.822 ( 13.762 0.000 -7.125) 15.497 4.112 ( -3.267 0.000 -1.968) 3.814 4.203 ( -7.149 0.000 12.478) 14.381 4.446 ( -14.103 0.000 1.698) 14.205 4.789 ( 2.385 0.000 1.418) 2.775 4.906 ( 3.228 0.000 5.790) 6.629 5.113 ( 6.983 0.000 -7.308) 10.108 5.236 ( 5.982 0.000 -0.565) 6.009 5.297 ( 8.643 0.000 -3.492) 9.321 5.397 ( 6.475 0.000 -4.275) 7.759 5.727 ( -1.821 0.000 -2.870) 3.399 5.733 ( -3.248 0.000 -4.743) 5.748 6.121 ( 0.813 0.000 2.413) 2.546 6.434 ( -0.677 0.000 -9.233) 9.258 6.841 ( 3.040 0.000 -0.235) 3.049 6.874 ( 3.096 0.000 -0.616) 3.157 6.903 ( -1.849 0.000 -3.661) 4.102 6.977 ( -1.616 0.000 -3.341) 3.711 7.182 ( -2.194 0.000 1.839) 2.863 7.256 ( -1.225 0.000 0.060) 1.226 7.488 ( -1.265 0.000 0.507) 1.363 7.587 ( 1.598 0.000 -2.065) 2.611 8.007 ( 0.756 0.000 3.060) 3.152 8.131 ( -3.231 0.000 -2.323) 3.979 8.359 ( -3.741 0.000 4.508) 5.858 8.509 ( 0.646 0.000 0.523) 0.832 8.719 ( -1.761 0.000 4.611) 4.936 8.918 ( -0.203 0.000 -2.975) 2.982 9.102 ( 1.729 0.000 4.666) 4.976 9.333 ( 1.627 0.000 -3.960) 4.281 ======================= Grid point 249 (122/205) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -23.276 0.000 12.907) 26.615 2.203 ( -24.992 0.000 17.335) 30.416 3.007 ( -25.512 0.000 21.829) 33.576 3.237 ( 8.346 0.000 -4.484) 9.474 3.373 ( -7.866 0.000 -7.661) 10.980 3.410 ( 4.850 0.000 8.944) 10.175 3.936 ( -13.764 0.000 -3.454) 14.191 3.992 ( 10.678 0.000 -9.166) 14.072 4.219 ( -9.586 0.000 3.901) 10.349 4.220 ( -3.264 0.000 15.800) 16.133 4.861 ( 3.901 0.000 -0.445) 3.926 4.936 ( -0.341 0.000 -0.336) 0.479 5.195 ( 6.523 0.000 -6.262) 9.042 5.351 ( 6.127 0.000 -2.697) 6.695 5.448 ( 4.182 0.000 -6.791) 7.976 5.457 ( 11.654 0.000 -4.308) 12.425 5.675 ( -0.572 0.000 -2.721) 2.781 5.722 ( 2.401 0.000 0.757) 2.518 6.178 ( 2.428 0.000 4.130) 4.790 6.388 ( 2.747 0.000 -5.112) 5.803 6.871 ( -0.102 0.000 0.125) 0.161 6.882 ( 2.148 0.000 -1.881) 2.856 6.915 ( 1.874 0.000 -2.768) 3.343 6.955 ( 2.116 0.000 -1.556) 2.627 7.146 ( -3.395 0.000 2.751) 4.369 7.238 ( -0.660 0.000 0.284) 0.719 7.470 ( -1.597 0.000 1.049) 1.911 7.599 ( 1.474 0.000 -2.089) 2.557 8.037 ( -0.276 0.000 3.737) 3.747 8.051 ( -3.599 0.000 -1.735) 3.995 8.304 ( -6.245 0.000 4.472) 7.681 8.504 ( -0.940 0.000 -0.407) 1.024 8.714 ( -2.626 0.000 4.574) 5.274 8.890 ( -0.372 0.000 -2.669) 2.695 9.170 ( 1.808 0.000 3.558) 3.991 9.336 ( 2.451 0.000 -4.949) 5.523 ======================= Grid point 250 (123/205) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -25.305 0.000 16.544) 30.234 1.912 ( -22.609 0.000 20.992) 30.852 2.775 ( -20.958 0.000 32.492) 38.665 3.173 ( -5.701 0.000 -10.663) 12.091 3.305 ( -10.930 0.000 -1.762) 11.071 3.442 ( 5.219 0.000 0.375) 5.233 3.759 ( -2.357 0.000 6.028) 6.473 4.046 ( -1.941 0.000 2.858) 3.455 4.133 ( -4.727 0.000 4.848) 6.771 4.317 ( 5.349 0.000 2.189) 5.779 4.911 ( 2.991 0.000 -3.328) 4.474 4.912 ( -0.944 0.000 -2.820) 2.974 5.253 ( 5.145 0.000 -6.047) 7.940 5.377 ( 1.181 0.000 -7.573) 7.665 5.468 ( 3.722 0.000 -5.603) 6.726 5.627 ( 4.164 0.000 1.887) 4.572 5.646 ( 5.319 0.000 -9.420) 10.818 5.816 ( 5.526 0.000 3.271) 6.421 6.269 ( 2.751 0.000 6.055) 6.651 6.485 ( 9.792 0.000 0.531) 9.807 6.876 ( -1.263 0.000 -1.555) 2.003 6.892 ( 1.062 0.000 1.259) 1.648 6.909 ( 0.815 0.000 -4.195) 4.273 7.001 ( 2.792 0.000 -1.327) 3.092 7.127 ( -0.754 0.000 5.631) 5.681 7.253 ( 2.437 0.000 0.438) 2.476 7.439 ( -2.820 0.000 1.230) 3.077 7.607 ( 1.028 0.000 -1.728) 2.010 7.981 ( -2.571 0.000 -0.889) 2.720 8.057 ( -1.087 0.000 4.441) 4.572 8.202 ( -8.172 0.000 4.064) 9.126 8.475 ( -1.502 0.000 -0.928) 1.766 8.696 ( -3.244 0.000 4.521) 5.564 8.866 ( 0.126 0.000 -2.478) 2.481 9.211 ( 0.005 0.000 1.843) 1.843 9.343 ( 2.879 0.000 -5.715) 6.399 ======================= Grid point 251 (124/205) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -14.351 0.000 22.551) 26.730 1.725 ( -16.574 0.000 24.311) 29.423 2.766 ( -10.667 0.000 37.292) 38.788 2.946 ( -16.354 0.000 -9.341) 18.834 3.016 ( -1.986 0.000 -9.940) 10.136 3.645 ( 9.001 0.000 6.797) 11.279 3.814 ( 0.470 0.000 9.566) 9.577 3.989 ( -8.292 0.000 7.866) 11.429 4.103 ( -3.004 0.000 5.031) 5.859 4.423 ( 6.729 0.000 -4.535) 8.115 4.851 ( -2.428 0.000 -5.175) 5.716 4.903 ( 0.053 0.000 -7.393) 7.394 5.282 ( 3.641 0.000 -7.233) 8.097 5.313 ( 0.665 0.000 -9.643) 9.666 5.497 ( 3.427 0.000 -4.664) 5.788 5.543 ( -4.925 0.000 -6.189) 7.909 5.814 ( 9.621 0.000 2.996) 10.077 5.952 ( 5.065 0.000 5.625) 7.569 6.354 ( 0.240 0.000 6.873) 6.877 6.683 ( 8.976 0.000 -1.208) 9.057 6.808 ( -2.683 0.000 -4.648) 5.367 6.870 ( -0.465 0.000 -6.802) 6.818 6.926 ( 0.644 0.000 2.929) 2.999 7.031 ( 2.451 0.000 -1.458) 2.851 7.260 ( 9.235 0.000 8.162) 12.325 7.329 ( 4.769 0.000 0.720) 4.823 7.385 ( -4.260 0.000 1.756) 4.608 7.607 ( 0.007 0.000 -1.000) 1.000 7.953 ( 0.039 0.000 0.149) 0.154 8.035 ( -6.842 0.000 3.726) 7.791 8.118 ( -2.307 0.000 5.160) 5.652 8.437 ( -1.655 0.000 -1.402) 2.169 8.670 ( -3.274 0.000 4.514) 5.576 8.860 ( 1.245 0.000 -2.299) 2.614 9.191 ( -3.391 0.000 1.166) 3.586 9.351 ( 2.921 0.000 -5.924) 6.605 ======================= Grid point 252 (125/205) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 10.602 11.714 21.326) 26.541 1.910 ( -5.246 17.407 22.140) 28.648 2.711 ( -5.669 6.192 -12.262) 14.861 2.989 ( 2.543 10.634 -6.469) 12.704 3.129 ( -2.385 10.204 32.235) 33.896 3.755 ( -5.940 1.426 6.780) 9.127 3.822 ( 0.458 -6.251 10.030) 11.827 3.985 ( 0.616 -4.491 8.546) 9.674 4.065 ( -2.300 0.339 9.066) 9.359 4.501 ( 4.657 -0.955 -6.237) 7.842 4.625 ( -3.210 -5.224 -8.002) 10.081 4.822 ( -6.939 0.567 -10.636) 12.712 5.200 ( 2.570 -4.749 -8.465) 10.041 5.296 ( 3.039 -1.579 -5.466) 6.450 5.352 ( -2.537 -3.365 -4.298) 6.019 5.471 ( -0.923 -3.348 -6.902) 7.726 6.022 ( 8.255 -0.001 7.076) 10.873 6.080 ( 3.819 -0.543 6.867) 7.876 6.366 ( -3.967 1.075 4.815) 6.330 6.704 ( 0.004 -3.013 -5.867) 6.596 6.743 ( -1.325 -0.084 -3.248) 3.509 6.801 ( 1.374 -0.834 -4.344) 4.632 6.923 ( 0.581 -2.256 1.236) 2.637 7.043 ( 3.271 -2.481 -2.687) 4.907 7.344 ( -3.588 2.575 3.596) 5.695 7.437 ( 5.262 0.013 3.795) 6.487 7.536 ( 7.007 2.624 -0.124) 7.483 7.627 ( -0.993 3.074 -1.480) 3.553 7.964 ( -6.297 3.818 2.791) 7.875 8.014 ( 3.195 2.439 1.258) 4.212 8.192 ( 1.666 2.467 5.517) 6.269 8.405 ( -2.071 0.820 -1.562) 2.720 8.666 ( -2.475 1.553 4.211) 5.126 8.881 ( 2.095 0.407 -2.141) 3.023 9.100 ( -4.798 -1.477 2.057) 5.426 9.333 ( 2.516 -2.278 -5.331) 6.320 ======================= Grid point 253 (126/205) ======================= q-point: ( 0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 2.269 17.677 20.744) 27.348 2.152 ( 20.223 9.434 18.863) 29.220 2.622 ( 7.544 4.940 -14.665) 17.216 3.008 ( 8.316 9.660 -12.378) 17.768 3.427 ( 3.836 7.987 35.832) 36.911 3.635 ( -11.028 -0.241 7.307) 13.232 3.796 ( -10.279 5.480 8.715) 14.548 4.061 ( 1.224 -6.094 5.317) 8.180 4.212 ( 5.445 -7.369 12.688) 15.650 4.439 ( -3.475 -8.642 -11.404) 14.724 4.568 ( 0.765 4.045 -5.692) 7.025 4.588 ( -5.496 -0.612 -10.671) 12.019 5.163 ( 0.543 -2.122 -7.833) 8.134 5.287 ( -1.634 -2.155 -1.314) 3.007 5.317 ( 3.567 -1.072 -5.654) 6.770 5.398 ( -2.608 -5.698 -4.480) 7.704 6.139 ( -1.431 -0.067 0.602) 1.554 6.213 ( 4.093 -0.533 5.071) 6.539 6.303 ( -3.698 2.179 5.402) 6.899 6.647 ( -4.225 -0.545 -2.986) 5.202 6.661 ( 0.243 -2.579 -5.357) 5.951 6.813 ( 2.212 0.143 -4.244) 4.788 6.947 ( 0.709 -3.441 1.173) 3.704 7.082 ( 3.386 -2.707 -3.333) 5.469 7.297 ( -4.139 3.784 3.398) 6.557 7.517 ( 1.759 2.618 0.825) 3.260 7.559 ( -1.624 2.091 -2.486) 3.632 7.667 ( 3.899 0.126 -1.635) 4.229 7.896 ( -3.000 3.762 2.456) 5.402 8.112 ( 5.590 2.036 2.068) 6.298 8.274 ( 2.365 2.109 4.766) 5.723 8.356 ( -1.699 0.436 -1.824) 2.531 8.663 ( -1.534 1.499 4.202) 4.717 8.906 ( 2.328 -0.029 -2.047) 3.100 9.033 ( -4.279 -0.395 2.842) 5.152 9.336 ( 1.843 -2.436 -4.251) 5.234 ======================= Grid point 254 (127/205) ======================= q-point: ( 0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 7.523 15.446 18.901) 25.543 2.651 ( 16.164 6.915 17.708) 24.954 2.736 ( 16.260 2.658 -14.121) 21.699 3.097 ( 9.854 8.212 -8.833) 15.574 3.438 ( -10.919 -0.255 1.571) 11.034 3.605 ( -16.119 7.193 6.233) 18.719 3.852 ( 10.164 7.166 30.945) 33.351 4.128 ( 2.128 -4.091 1.538) 4.861 4.235 ( -4.082 -6.641 -8.082) 11.228 4.384 ( -3.317 -2.335 -7.879) 8.862 4.398 ( 1.310 -6.758 2.764) 7.418 4.637 ( 4.148 1.591 3.970) 5.958 5.119 ( 1.084 -0.512 -6.561) 6.670 5.258 ( -1.290 -0.971 0.118) 1.619 5.294 ( -4.618 -2.779 -1.915) 5.720 5.333 ( 1.467 -4.515 -5.797) 7.493 6.012 ( -6.846 1.580 -5.426) 8.877 6.223 ( -4.147 -1.966 -4.308) 6.294 6.321 ( -1.941 0.558 4.873) 5.275 6.579 ( -1.205 -1.699 -2.118) 2.970 6.655 ( 2.024 -0.118 0.973) 2.249 6.809 ( 1.155 1.103 -3.906) 4.220 6.962 ( 0.312 -4.566 0.149) 4.579 7.111 ( 2.750 -2.999 -3.787) 5.558 7.249 ( -3.778 4.201 2.854) 6.329 7.469 ( -3.443 3.350 -3.017) 5.672 7.567 ( 1.745 2.340 -0.710) 3.004 7.672 ( -0.916 1.216 -3.171) 3.518 7.893 ( 0.477 2.861 2.023) 3.536 8.239 ( 5.854 1.552 2.138) 6.423 8.306 ( -0.820 -0.105 -1.579) 1.782 8.350 ( 0.979 1.712 3.695) 4.188 8.675 ( -0.695 1.602 4.197) 4.546 8.931 ( 1.899 -0.406 -1.669) 2.561 8.996 ( -2.198 0.116 3.035) 3.749 9.333 ( 1.037 -2.490 -3.222) 4.202 ======================= Grid point 255 (128/205) ======================= q-point: ( 0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 10.256 12.540 16.949) 23.446 2.909 ( -3.803 2.285 9.847) 10.800 2.927 ( 11.305 2.023 -9.640) 14.995 3.188 ( -2.887 4.969 9.883) 11.432 3.319 ( -4.625 4.616 -4.597) 7.989 3.363 ( 1.540 3.885 -4.010) 5.792 4.060 ( -5.894 -1.768 -4.996) 7.927 4.140 ( 2.003 -0.357 -3.346) 3.916 4.317 ( 14.180 5.214 16.958) 22.712 4.378 ( -0.797 -2.052 3.399) 4.050 4.393 ( 1.648 -2.520 2.257) 3.763 4.751 ( 2.524 -5.336 5.696) 8.203 5.099 ( 1.794 -1.549 -5.672) 6.148 5.187 ( -5.166 -3.436 -0.692) 6.243 5.237 ( -3.278 0.462 2.118) 3.930 5.297 ( 0.784 -2.038 -5.580) 5.992 5.869 ( -2.955 0.557 -6.393) 7.065 6.044 ( -8.053 -2.633 -8.559) 12.043 6.263 ( -6.035 1.372 0.183) 6.192 6.545 ( 0.231 -4.088 -5.516) 6.869 6.729 ( 2.702 2.494 3.651) 5.182 6.808 ( 1.282 1.339 -1.497) 2.383 6.959 ( -0.450 -4.605 -0.829) 4.701 7.120 ( 1.238 -2.513 -4.010) 4.892 7.203 ( -2.992 3.037 1.957) 4.691 7.386 ( -2.458 4.077 -3.652) 6.000 7.579 ( -0.963 0.935 -0.036) 1.343 7.617 ( -0.503 3.410 -3.664) 5.031 7.932 ( 1.849 2.291 1.831) 3.466 8.257 ( -1.309 0.243 -2.571) 2.896 8.364 ( 3.032 0.452 2.830) 4.172 8.391 ( 1.407 1.354 3.458) 3.971 8.701 ( -0.279 1.824 4.315) 4.693 8.947 ( 1.442 -0.129 -2.221) 2.651 8.997 ( -0.635 -0.246 3.828) 3.888 9.324 ( 0.592 -2.402 -2.765) 3.709 ======================= Grid point 256 (129/205) ======================= q-point: (-0.56 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -21.024 1.600 10.317) 23.473 2.888 ( -16.607 5.113 8.119) 19.179 2.942 ( 8.413 9.074 11.905) 17.172 3.125 ( 8.373 -0.837 -13.275) 15.717 3.337 ( 4.651 6.508 -0.630) 8.023 3.545 ( 10.246 -0.791 2.881) 10.673 3.887 ( -10.065 3.006 -1.907) 10.676 4.163 ( 2.298 2.102 -1.137) 3.315 4.300 ( -5.503 1.702 2.111) 6.135 4.506 ( 3.265 -2.585 4.903) 6.433 4.684 ( 6.670 0.078 10.459) 12.405 4.804 ( 2.826 -1.150 3.509) 4.650 5.060 ( -2.656 -2.060 -4.386) 5.526 5.134 ( 1.708 -6.295 -1.869) 6.785 5.170 ( -0.618 -2.703 -0.520) 2.821 5.335 ( 5.150 2.643 -1.909) 6.095 5.790 ( -1.373 -0.849 -6.152) 6.360 5.840 ( -6.175 -2.750 -7.534) 10.122 6.157 ( -4.087 1.937 -0.275) 4.531 6.484 ( -0.574 -3.872 -8.813) 9.644 6.785 ( 1.260 0.507 0.627) 1.496 6.830 ( 1.644 0.446 -0.946) 1.948 6.937 ( -0.495 -1.825 -1.345) 2.320 7.081 ( -1.916 0.981 -2.921) 3.629 7.187 ( -0.720 -0.028 1.616) 1.769 7.321 ( -1.773 3.386 -3.123) 4.936 7.537 ( -2.113 1.375 0.206) 2.529 7.615 ( 1.694 3.596 -2.328) 4.606 7.982 ( 1.657 1.879 2.145) 3.298 8.205 ( -2.169 0.257 -2.490) 3.312 8.386 ( -1.818 0.964 3.984) 4.484 8.469 ( 2.889 0.258 1.824) 3.426 8.727 ( -0.734 1.988 4.424) 4.905 8.945 ( 0.536 0.417 -2.880) 2.959 9.032 ( 0.638 -0.824 4.584) 4.701 9.314 ( 0.826 -2.294 -3.058) 3.911 ======================= Grid point 257 (130/205) ======================= q-point: (-0.44 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -21.578 3.517 10.872) 24.417 2.548 ( -24.232 1.824 10.804) 26.594 3.146 ( 7.117 0.369 -8.978) 11.463 3.250 ( 8.908 5.916 9.690) 14.431 3.376 ( -5.630 9.985 7.817) 13.874 3.653 ( -9.524 6.467 -3.142) 11.933 3.723 ( 5.947 -6.957 -2.402) 9.463 4.184 ( -0.001 4.852 -1.630) 5.118 4.225 ( -7.493 2.256 11.458) 13.875 4.466 ( -12.075 1.773 1.825) 12.340 4.708 ( 0.533 -6.474 2.505) 6.962 4.944 ( 1.750 1.497 3.368) 4.080 5.053 ( 7.723 -5.456 -6.143) 11.276 5.186 ( 5.491 -3.776 -0.382) 6.675 5.256 ( 8.776 -2.980 -1.448) 9.381 5.410 ( 5.005 1.022 -4.967) 7.125 5.708 ( -1.407 -1.277 -3.225) 3.743 5.732 ( -1.807 -0.686 -4.141) 4.569 6.128 ( 0.117 0.604 1.473) 1.596 6.403 ( -0.117 -2.703 -8.930) 9.331 6.790 ( -0.174 -3.995 -1.440) 4.250 6.831 ( 1.319 -1.603 -4.220) 4.703 6.947 ( 1.740 2.936 0.837) 3.514 7.032 ( -1.212 3.119 -1.516) 3.674 7.179 ( -1.742 -0.040 1.573) 2.348 7.275 ( -1.202 1.835 -1.471) 2.641 7.513 ( -1.381 1.998 1.117) 2.673 7.632 ( 2.059 3.765 -2.288) 4.863 8.022 ( 0.564 1.437 2.716) 3.124 8.140 ( -2.845 0.693 -2.132) 3.622 8.370 ( -3.559 1.056 4.360) 5.727 8.512 ( 0.763 0.239 0.669) 1.043 8.740 ( -1.724 2.006 4.409) 5.142 8.926 ( -0.180 0.750 -2.671) 2.780 9.087 ( 1.480 -1.371 4.325) 4.772 9.309 ( 1.605 -2.258 -3.886) 4.772 ======================= Grid point 258 (131/205) ======================= q-point: (-0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -22.598 5.182 11.673) 25.957 2.211 ( -23.084 2.235 17.405) 28.997 3.203 ( -21.329 16.256 18.156) 32.386 3.217 ( 7.533 -2.513 -4.695) 9.225 3.410 ( -5.447 4.714 -0.446) 7.217 3.502 ( 1.591 8.247 3.255) 9.007 3.796 ( 2.531 -10.110 -5.337) 11.709 4.042 ( -9.971 3.159 -3.433) 11.009 4.237 ( -8.535 2.452 13.837) 16.442 4.293 ( -1.032 4.414 2.056) 4.978 4.745 ( 1.323 -7.992 0.591) 8.122 4.978 ( 2.162 0.538 -1.102) 2.486 5.148 ( 6.967 -5.057 -6.930) 11.051 5.290 ( 5.692 -3.889 -1.363) 7.027 5.402 ( 4.240 -1.442 -2.734) 5.247 5.453 ( 8.961 -3.033 -6.844) 11.676 5.686 ( -0.082 0.695 -1.922) 2.046 5.720 ( 2.750 -0.159 -0.232) 2.765 6.169 ( 2.059 -0.681 3.410) 4.041 6.366 ( 2.844 -1.984 -5.068) 6.141 6.776 ( 0.332 -4.814 -0.826) 4.896 6.842 ( 2.833 -2.455 -2.658) 4.595 6.987 ( 1.328 2.887 0.690) 3.252 7.007 ( -0.336 3.517 -2.021) 4.070 7.152 ( -2.485 0.835 2.215) 3.432 7.257 ( 0.269 1.914 -0.202) 1.943 7.495 ( -1.700 2.117 1.239) 2.985 7.652 ( 2.027 4.266 -2.359) 5.280 8.032 ( -2.099 0.397 1.457) 2.586 8.085 ( -1.314 2.175 0.395) 2.572 8.319 ( -5.826 1.488 4.260) 7.369 8.513 ( -0.683 0.696 -0.179) 0.991 8.733 ( -2.642 1.857 4.306) 5.382 8.899 ( -0.440 0.866 -2.465) 2.649 9.146 ( 1.368 -2.124 3.424) 4.255 9.312 ( 2.440 -2.234 -4.848) 5.869 ======================= Grid point 259 (132/205) ======================= q-point: (-0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -23.963 6.171 15.453) 29.174 1.998 ( -17.502 7.775 21.915) 29.104 2.978 ( -19.976 17.783 26.535) 37.674 3.236 ( -5.918 5.854 -8.902) 12.188 3.350 ( 3.165 -0.207 0.950) 3.311 3.429 ( -9.769 3.057 -2.144) 10.458 3.768 ( 0.028 -0.282 5.033) 5.041 3.955 ( -0.247 -5.974 0.528) 6.003 4.159 ( -8.614 2.616 10.397) 13.753 4.364 ( 5.053 2.538 -0.847) 5.718 4.758 ( 0.348 -8.045 -1.669) 8.223 5.001 ( 1.550 1.945 -2.775) 3.726 5.200 ( 5.124 -5.271 -7.539) 10.530 5.341 ( 1.675 -3.150 -4.901) 6.061 5.406 ( 2.088 -4.281 -5.109) 6.984 5.586 ( 8.352 -4.023 -7.149) 11.707 5.678 ( 0.729 2.794 -0.130) 2.891 5.811 ( 5.871 -0.962 3.107) 6.712 6.251 ( 2.887 -1.348 5.371) 6.245 6.450 ( 8.413 -2.967 0.278) 8.925 6.792 ( 1.178 -4.304 0.573) 4.499 6.872 ( 0.941 -0.633 -1.633) 1.988 6.975 ( -0.782 0.830 -2.933) 3.147 7.001 ( 0.678 1.185 -1.590) 2.096 7.146 ( -0.466 2.019 5.421) 5.804 7.292 ( 3.087 2.963 0.936) 4.381 7.469 ( -2.047 2.653 1.123) 3.534 7.664 ( 1.142 4.374 -2.333) 5.087 7.987 ( -2.141 1.061 -0.119) 2.393 8.091 ( -0.600 2.543 3.566) 4.421 8.224 ( -7.807 2.120 3.766) 8.923 8.489 ( -1.411 1.144 -0.665) 1.934 8.713 ( -3.190 1.676 4.208) 5.540 8.875 ( 0.026 0.803 -2.357) 2.490 9.180 ( -0.314 -2.737 2.070) 3.446 9.320 ( 2.871 -2.175 -5.617) 6.673 ======================= Grid point 260 (133/205) ======================= q-point: (-0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -11.064 10.157 21.082) 25.885 1.898 ( -12.350 13.989 22.656) 29.352 2.916 ( -11.786 13.149 27.077) 32.326 3.017 ( -13.167 7.692 -5.045) 16.062 3.112 ( -4.113 8.933 -8.165) 12.782 3.593 ( 9.286 -5.777 8.890) 14.094 3.811 ( -2.475 0.629 7.624) 8.040 3.959 ( -1.363 -5.764 3.548) 6.904 4.090 ( -7.182 2.009 9.586) 12.145 4.444 ( 5.933 0.721 -4.860) 7.704 4.723 ( -1.703 -7.331 -4.474) 8.756 4.971 ( -2.004 2.184 -5.615) 6.349 5.215 ( 3.394 -5.579 -8.920) 11.055 5.302 ( 1.095 -1.991 -6.877) 7.243 5.403 ( 0.964 -6.126 -4.350) 7.575 5.560 ( -0.973 -1.054 -9.931) 10.034 5.808 ( 8.555 0.388 5.837) 10.364 5.950 ( 4.995 -0.746 5.726) 7.635 6.341 ( 1.327 -0.919 6.099) 6.309 6.634 ( 9.265 -4.467 -0.228) 10.288 6.805 ( -0.530 -1.960 -3.683) 4.206 6.831 ( -2.023 0.182 -0.965) 2.248 6.932 ( -0.988 -0.252 -2.946) 3.117 7.011 ( 2.010 -1.756 -1.972) 3.319 7.253 ( 6.032 0.763 8.140) 10.160 7.362 ( 1.470 1.730 2.865) 3.655 7.451 ( 0.828 5.094 0.026) 5.161 7.655 ( -0.274 3.777 -1.919) 4.246 7.970 ( 0.360 1.960 0.457) 2.045 8.077 ( -6.741 3.761 3.230) 8.368 8.140 ( -1.454 1.935 4.831) 5.403 8.452 ( -1.887 1.170 -1.090) 2.473 8.686 ( -3.156 1.606 4.181) 5.479 8.867 ( 1.131 0.665 -2.227) 2.585 9.162 ( -3.055 -2.526 1.434) 4.216 9.328 ( 2.862 -2.166 -5.857) 6.869 ======================= Grid point 261 (134/205) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 10.005 18.901 17.586) 27.688 2.309 ( -1.340 19.898 18.975) 27.527 2.899 ( -6.071 11.679 -11.367) 17.392 3.256 ( 2.931 13.876 -11.316) 18.144 3.425 ( -1.228 14.579 26.426) 30.206 3.630 ( 3.301 -9.888 15.616) 18.776 3.782 ( -4.838 -0.558 4.463) 6.605 3.837 ( -1.900 -5.180 6.547) 8.562 4.129 ( -3.180 2.545 7.346) 8.399 4.369 ( -2.036 -7.596 -5.467) 9.578 4.627 ( 1.467 2.563 -2.225) 3.698 4.800 ( -9.540 -2.215 -7.618) 12.408 5.067 ( 2.866 -8.595 -6.809) 11.334 5.198 ( 0.786 -6.833 -4.001) 7.957 5.277 ( 2.330 -4.504 -4.653) 6.882 5.390 ( -1.896 -3.968 -11.416) 12.234 6.032 ( 7.328 0.756 7.800) 10.729 6.060 ( 3.980 -1.134 7.535) 8.596 6.396 ( -0.572 1.708 3.564) 3.994 6.626 ( 1.539 -4.093 -3.590) 5.657 6.745 ( -1.800 0.224 -3.764) 4.179 6.788 ( -0.611 -0.140 -2.692) 2.764 6.891 ( 0.416 -0.940 -0.490) 1.139 6.991 ( 3.099 -2.411 -3.125) 5.019 7.397 ( -2.887 2.226 4.923) 6.126 7.421 ( 4.274 -0.722 6.556) 7.860 7.614 ( 4.133 4.160 -2.112) 6.233 7.690 ( -0.706 2.718 -2.650) 3.861 8.065 ( -2.136 5.158 2.149) 5.982 8.090 ( -0.518 4.881 1.610) 5.166 8.243 ( 1.977 2.083 4.992) 5.759 8.412 ( -3.132 -0.359 -0.415) 3.180 8.716 ( -2.170 3.154 3.300) 5.054 8.888 ( 1.043 0.213 -1.098) 1.529 9.067 ( -2.581 -1.397 0.590) 2.993 9.269 ( 2.245 -3.842 -5.183) 6.831 ======================= Grid point 262 (135/205) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 14.542 14.816 16.566) 26.560 2.474 ( 5.685 20.852 16.517) 27.202 2.785 ( 4.457 10.785 -13.478) 17.828 3.260 ( 7.060 13.759 -11.819) 19.464 3.608 ( -7.498 3.790 6.985) 10.926 3.689 ( 3.076 5.304 21.127) 21.999 3.834 ( 0.082 -2.027 16.834) 16.956 3.906 ( 2.084 -5.891 7.019) 9.397 4.143 ( -4.728 3.125 12.321) 13.562 4.225 ( -3.863 -11.075 -12.096) 16.849 4.542 ( -9.927 -2.481 -9.020) 13.641 4.658 ( 3.027 3.499 -2.449) 5.235 5.059 ( 1.287 -8.228 -5.162) 9.798 5.190 ( 0.381 -7.608 -1.620) 7.787 5.267 ( -1.030 -5.955 -5.492) 8.166 5.293 ( 1.675 -1.664 -7.491) 7.854 6.142 ( -0.126 0.294 2.815) 2.833 6.195 ( 2.295 -0.988 5.394) 5.945 6.362 ( -3.393 3.188 1.417) 4.866 6.585 ( -0.275 -3.179 -5.613) 6.457 6.666 ( -2.343 1.058 -2.501) 3.586 6.799 ( 1.944 -1.273 -1.488) 2.759 6.898 ( 0.253 -1.156 -0.264) 1.212 7.026 ( 3.223 -2.641 -3.659) 5.545 7.368 ( -3.723 2.908 4.043) 6.218 7.528 ( 2.158 -1.703 4.512) 5.283 7.618 ( -1.484 3.519 -3.277) 5.032 7.695 ( 3.292 2.601 -3.067) 5.197 8.010 ( -2.857 6.647 1.599) 7.410 8.168 ( 4.563 3.143 2.469) 6.066 8.319 ( 1.700 1.867 4.378) 5.054 8.354 ( -2.450 -0.792 -0.465) 2.617 8.711 ( -1.181 3.109 3.364) 4.731 8.901 ( 0.867 -0.483 -0.165) 1.006 9.027 ( -1.895 0.005 0.125) 1.899 9.268 ( 1.663 -4.018 -4.193) 6.041 ======================= Grid point 263 (136/205) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 6.606 18.333 14.816) 24.480 2.835 ( 12.252 9.243 -4.406) 15.968 2.850 ( 12.840 9.759 6.860) 17.526 3.302 ( 4.268 10.881 -6.932) 13.589 3.468 ( -5.081 2.853 -3.290) 6.691 3.749 ( -14.099 5.143 3.842) 15.492 3.984 ( 2.542 -9.433 2.336) 10.045 4.061 ( 1.959 1.598 8.323) 8.698 4.089 ( 7.580 3.817 15.933) 18.053 4.242 ( 2.741 -5.774 5.848) 8.663 4.340 ( -5.094 -1.511 -3.907) 6.596 4.679 ( 0.535 1.965 -1.215) 2.371 5.029 ( -0.737 -7.735 -3.739) 8.623 5.148 ( -2.090 -8.770 -3.767) 9.771 5.246 ( 0.598 -3.035 -1.167) 3.306 5.277 ( 1.372 -1.330 -3.184) 3.713 6.051 ( -6.702 2.017 -5.149) 8.689 6.176 ( -5.190 -2.322 -3.839) 6.861 6.341 ( -1.680 1.377 2.142) 3.051 6.525 ( -1.178 -2.719 -6.054) 6.740 6.684 ( 3.342 2.264 4.126) 5.773 6.821 ( 1.706 -0.185 -1.102) 2.040 6.890 ( -0.616 -1.928 -0.732) 2.152 7.046 ( 2.371 -3.042 -4.058) 5.598 7.325 ( -4.046 3.036 2.797) 5.780 7.549 ( -2.208 2.741 -3.876) 5.235 7.576 ( -0.149 -0.278 2.759) 2.777 7.712 ( 1.554 2.679 -4.421) 5.398 7.992 ( -0.466 6.117 1.227) 6.257 8.278 ( 4.861 2.090 2.679) 5.931 8.299 ( -1.773 -0.809 -1.362) 2.378 8.384 ( 0.594 1.244 4.317) 4.532 8.726 ( -0.185 3.200 3.534) 4.771 8.918 ( 0.686 -0.779 1.018) 1.454 9.004 ( -0.571 0.710 -0.375) 0.986 9.264 ( 1.072 -4.058 -3.192) 5.273 ======================= Grid point 264 (137/205) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 4.147 13.019 12.245) 18.347 2.991 ( 13.837 5.669 -11.219) 18.694 3.008 ( -5.785 7.737 9.827) 13.780 3.318 ( -5.797 6.732 2.877) 9.338 3.410 ( 5.085 3.738 -16.519) 17.683 3.475 ( -8.457 6.046 7.485) 12.810 4.007 ( 0.508 -3.474 -1.581) 3.850 4.137 ( 2.868 -0.539 2.802) 4.045 4.298 ( 3.307 -3.617 3.302) 5.909 4.322 ( 2.208 -4.011 2.902) 5.421 4.482 ( 11.156 9.044 17.172) 22.385 4.671 ( -0.344 -1.160 1.773) 2.147 4.986 ( -1.003 -8.027 -1.832) 8.295 5.087 ( -1.936 -6.369 -2.143) 6.993 5.187 ( -3.816 -3.887 -3.695) 6.582 5.325 ( 2.385 2.022 2.768) 4.176 5.887 ( -5.093 1.130 -6.831) 8.595 5.991 ( -7.975 -2.147 -8.748) 12.031 6.289 ( -4.425 1.154 -1.149) 4.715 6.459 ( -0.313 -3.758 -7.196) 8.124 6.793 ( 3.216 3.122 4.322) 6.227 6.833 ( -0.067 1.056 -1.677) 1.983 6.881 ( 0.817 -2.657 0.358) 2.803 7.057 ( 2.094 -3.084 -3.113) 4.857 7.263 ( -4.176 2.593 1.041) 5.024 7.473 ( -2.318 3.117 -4.771) 6.152 7.578 ( -1.600 -0.150 2.030) 2.589 7.696 ( 0.931 3.463 -4.104) 5.450 8.007 ( 0.953 4.729 1.134) 4.956 8.253 ( -1.607 -0.693 -1.928) 2.604 8.382 ( 3.171 1.032 2.761) 4.330 8.417 ( 0.022 0.905 3.884) 3.988 8.756 ( 0.197 3.395 3.784) 5.087 8.943 ( 0.984 -0.375 1.114) 1.533 8.998 ( 0.007 0.479 0.098) 0.489 9.257 ( 0.735 -3.931 -2.695) 4.822 ======================= Grid point 265 (138/205) ======================= q-point: (-0.56 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -18.595 5.755 8.944) 21.422 2.994 ( -19.307 5.349 0.443) 20.040 3.121 ( 8.223 1.519 -13.411) 15.804 3.206 ( 8.772 13.682 11.022) 19.637 3.385 ( 7.243 -2.893 -14.267) 16.260 3.613 ( 1.723 8.019 15.988) 17.969 3.970 ( -3.994 4.244 -0.195) 5.831 4.209 ( 1.938 1.933 3.061) 4.107 4.327 ( -1.479 -0.202 3.581) 3.879 4.436 ( 4.389 -3.003 4.180) 6.764 4.622 ( -0.640 -5.037 0.967) 5.169 4.810 ( 6.683 -0.366 3.989) 7.792 4.977 ( -2.527 -5.777 1.990) 6.612 5.040 ( 0.860 -1.509 -1.186) 2.104 5.114 ( 0.994 -1.352 0.178) 1.688 5.390 ( 2.740 2.153 1.616) 3.841 5.769 ( -2.423 -1.031 -6.313) 6.840 5.789 ( -5.823 -1.879 -7.950) 10.032 6.193 ( -3.602 1.460 -2.156) 4.445 6.396 ( 0.033 -4.286 -8.368) 9.402 6.783 ( -1.983 -0.557 -2.917) 3.571 6.836 ( 0.328 -0.123 -3.071) 3.091 6.938 ( 2.778 1.677 3.561) 4.818 7.074 ( 0.926 -0.986 -0.385) 1.407 7.205 ( -2.367 1.549 0.769) 2.931 7.388 ( -2.498 2.077 -5.098) 6.045 7.564 ( -1.292 1.572 1.886) 2.775 7.692 ( 1.631 3.129 -2.971) 4.613 8.037 ( 1.034 3.382 1.438) 3.818 8.206 ( -1.937 -0.236 -1.947) 2.757 8.411 ( -1.603 1.242 3.748) 4.262 8.472 ( 2.253 -0.082 2.092) 3.076 8.786 ( -0.400 3.539 3.928) 5.303 8.960 ( 0.576 0.951 -1.113) 1.573 9.012 ( 0.538 -0.857 2.667) 2.853 9.250 ( 0.857 -3.780 -2.890) 4.835 ======================= Grid point 266 (139/205) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -18.678 7.722 9.569) 22.362 2.633 ( -21.529 6.441 5.578) 23.154 3.116 ( 3.056 -2.942 -10.485) 11.311 3.432 ( 6.126 8.975 9.077) 14.159 3.463 ( 8.499 -4.740 -7.180) 12.094 3.695 ( -3.885 8.709 10.496) 14.181 3.855 ( -8.758 11.579 0.939) 14.549 4.253 ( -0.016 1.781 4.616) 4.948 4.301 ( -6.162 4.263 4.968) 8.990 4.486 ( -4.496 -2.023 4.151) 6.445 4.569 ( -3.825 -4.592 0.402) 5.990 4.884 ( 1.729 -7.899 -1.211) 8.176 4.915 ( 3.699 -5.738 -5.177) 8.568 5.164 ( 7.959 -1.679 2.269) 8.444 5.210 ( 5.360 1.930 2.246) 6.124 5.427 ( 1.314 0.387 -4.412) 4.619 5.680 ( -0.042 -1.366 -2.506) 2.854 5.705 ( -0.900 -1.612 -3.569) 4.019 6.144 ( -0.442 0.974 -0.553) 1.204 6.337 ( 0.885 -3.415 -8.043) 8.783 6.726 ( -1.445 -1.931 -2.556) 3.515 6.801 ( 0.482 -1.442 -5.422) 5.632 7.007 ( 1.616 2.587 2.956) 4.248 7.076 ( -0.877 1.144 0.857) 1.677 7.188 ( -0.699 1.034 0.938) 1.562 7.319 ( -0.833 1.802 -3.736) 4.231 7.558 ( -1.180 2.368 1.843) 3.225 7.707 ( 2.335 2.748 -2.672) 4.488 8.062 ( 0.073 2.411 1.987) 3.125 8.154 ( -2.003 0.590 -1.601) 2.631 8.400 ( -2.834 1.697 3.866) 5.085 8.513 ( 0.910 -0.228 1.060) 1.415 8.799 ( -1.562 3.577 3.877) 5.501 8.949 ( -0.319 1.551 -1.733) 2.348 9.052 ( 0.979 -1.902 3.313) 3.943 9.245 ( 1.494 -3.739 -3.615) 5.411 ======================= Grid point 267 (140/205) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -19.789 9.617 9.376) 23.917 2.336 ( -17.635 9.994 14.681) 25.028 3.118 ( 3.300 -6.972 -2.488) 8.105 3.486 ( -6.447 9.451 4.608) 12.334 3.546 ( 2.807 -12.359 -1.817) 12.803 3.667 ( -11.649 19.467 7.846) 24.004 3.731 ( 1.598 11.796 0.994) 11.945 4.123 ( -12.832 4.402 -2.444) 13.784 4.282 ( -5.798 0.829 11.065) 12.520 4.374 ( -4.579 3.037 1.676) 5.745 4.577 ( 1.209 -7.029 2.768) 7.651 4.918 ( 3.929 -5.880 -1.730) 7.280 4.992 ( 7.827 -8.471 -8.023) 14.049 5.273 ( 1.695 1.702 1.858) 3.037 5.351 ( 7.637 -6.434 -5.124) 11.224 5.387 ( 1.900 -0.137 -2.064) 2.809 5.679 ( 0.841 -1.265 -1.006) 1.822 5.714 ( 2.500 -0.806 -0.763) 2.735 6.164 ( 1.891 0.400 1.589) 2.502 6.317 ( 2.990 -2.548 -4.940) 6.311 6.704 ( 0.590 -2.102 -0.583) 2.260 6.795 ( 2.838 -2.110 -3.150) 4.736 7.029 ( -1.367 1.333 1.256) 2.286 7.060 ( -0.847 1.462 -0.703) 1.830 7.184 ( -0.819 2.191 1.835) 2.973 7.307 ( 1.715 2.410 -1.311) 3.235 7.548 ( -1.228 2.979 1.405) 3.515 7.729 ( 2.203 2.409 -2.779) 4.287 8.060 ( -1.821 2.270 1.185) 3.142 8.124 ( -0.483 1.389 0.537) 1.565 8.363 ( -4.524 2.642 3.604) 6.359 8.524 ( -0.325 0.169 0.424) 0.560 8.789 ( -2.616 3.448 3.676) 5.678 8.924 ( -0.825 1.560 -1.741) 2.479 9.092 ( 0.683 -2.801 2.785) 4.009 9.249 ( 2.344 -3.744 -4.521) 6.320 ======================= Grid point 268 (141/205) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -17.833 14.357 13.279) 26.466 2.216 ( -11.122 13.216 19.934) 26.377 3.198 ( 3.126 -8.594 6.028) 10.953 3.363 ( -7.768 10.404 2.219) 13.172 3.460 ( -11.945 14.012 9.821) 20.868 3.545 ( -6.803 1.851 -7.061) 9.979 3.739 ( -1.778 6.684 1.252) 7.029 3.939 ( -4.857 3.721 4.301) 7.479 4.213 ( -8.813 1.221 9.656) 13.130 4.367 ( 2.544 -2.617 -3.113) 4.797 4.622 ( 0.706 -3.753 2.829) 4.753 4.973 ( 2.987 -4.805 -2.162) 6.057 5.051 ( 5.651 -8.191 -8.885) 13.341 5.291 ( 0.216 -1.773 -1.632) 2.419 5.308 ( -0.366 -4.572 -7.267) 8.594 5.517 ( 6.598 -2.710 -3.621) 7.999 5.709 ( 2.009 0.113 0.397) 2.051 5.771 ( 4.973 -2.627 3.077) 6.411 6.234 ( 3.359 0.024 3.734) 5.022 6.384 ( 6.576 -3.044 -0.154) 7.248 6.733 ( 2.038 -1.546 0.756) 2.667 6.844 ( 3.533 -1.887 -0.996) 4.127 6.980 ( -3.454 0.481 -1.602) 3.837 7.026 ( -1.286 0.517 -3.087) 3.384 7.200 ( 0.172 3.077 4.957) 5.837 7.352 ( 2.555 2.411 1.375) 3.772 7.539 ( -0.300 4.031 0.559) 4.080 7.737 ( 1.079 2.127 -2.970) 3.809 8.034 ( -1.189 3.273 0.564) 3.527 8.136 ( 0.161 1.590 2.839) 3.258 8.288 ( -6.440 3.917 3.038) 8.127 8.509 ( -1.552 0.437 0.111) 1.617 8.764 ( -3.031 3.246 3.454) 5.626 8.897 ( -0.503 1.277 -1.722) 2.202 9.114 ( -0.435 -3.242 1.844) 3.755 9.258 ( 2.796 -3.696 -5.289) 7.032 ======================= Grid point 269 (142/205) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -5.508 19.095 17.256) 26.320 2.221 ( -6.121 16.758 20.835) 27.430 3.148 ( -11.364 9.761 -5.263) 15.878 3.316 ( -4.916 6.742 15.252) 17.385 3.340 ( -2.993 14.428 -10.366) 18.015 3.442 ( 0.507 -1.399 17.357) 17.420 3.758 ( 1.028 -5.032 3.125) 6.012 3.900 ( -5.884 2.808 5.597) 8.592 4.147 ( -5.339 1.413 7.435) 9.261 4.390 ( 2.889 -5.563 -4.612) 7.782 4.635 ( -0.775 -0.520 0.709) 1.172 4.964 ( -2.991 -3.033 -2.845) 5.122 5.066 ( 4.038 -8.643 -9.147) 13.216 5.234 ( -0.989 -4.236 -5.712) 7.180 5.279 ( 1.561 -5.271 -5.271) 7.616 5.507 ( -0.319 -3.632 -11.125) 11.707 5.827 ( 7.449 0.862 6.809) 10.129 5.918 ( 5.493 -2.022 6.637) 8.850 6.332 ( 3.163 0.257 4.631) 5.614 6.533 ( 7.883 -4.594 1.236) 9.208 6.771 ( 1.237 -0.840 -0.499) 1.576 6.861 ( -2.444 1.768 -2.767) 4.093 6.904 ( -0.900 -2.027 -2.527) 3.362 6.981 ( 0.179 -1.184 -3.529) 3.726 7.283 ( 3.379 2.007 7.686) 8.633 7.398 ( -0.306 1.602 3.913) 4.239 7.557 ( 2.696 5.026 -1.031) 5.796 7.722 ( -0.191 2.241 -2.881) 3.655 8.034 ( 0.660 3.916 1.010) 4.097 8.166 ( -2.228 3.466 3.268) 5.259 8.190 ( -3.793 3.648 3.411) 6.271 8.469 ( -2.706 0.166 -0.107) 2.713 8.736 ( -2.827 3.178 3.325) 5.399 8.884 ( 0.463 0.835 -1.557) 1.826 9.104 ( -1.875 -2.716 1.045) 3.462 9.266 ( 2.678 -3.699 -5.596) 7.223 ======================= Grid point 270 (143/205) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 7.395 20.341 15.374) 26.548 2.700 ( 0.941 17.665 16.309) 24.060 3.152 ( -4.775 10.286 -7.117) 13.389 3.259 ( 4.736 -15.480 13.361) 20.990 3.450 ( 4.002 -4.209 3.279) 6.669 3.635 ( 1.535 6.339 -2.791) 7.094 3.787 ( -9.543 -1.330 1.789) 9.800 3.986 ( -1.333 15.612 13.019) 20.372 4.071 ( 1.626 -2.627 -6.597) 7.285 4.338 ( -4.134 2.654 8.559) 9.868 4.653 ( -0.894 -1.306 2.083) 2.617 4.747 ( -8.787 -4.267 -0.207) 9.770 4.876 ( 1.627 -6.227 -8.007) 10.273 5.046 ( -0.877 -7.628 -5.328) 9.346 5.192 ( 1.304 -2.575 -5.435) 6.154 5.300 ( -1.680 -5.016 -9.613) 10.973 6.037 ( 6.656 -0.172 7.753) 10.219 6.047 ( 5.262 -0.131 7.149) 8.878 6.435 ( 1.657 2.168 2.108) 3.448 6.548 ( 2.452 -3.416 -1.213) 4.377 6.755 ( -1.743 0.900 -3.766) 4.246 6.789 ( -2.115 -0.061 -3.829) 4.375 6.883 ( 1.092 0.228 -1.090) 1.560 6.943 ( 2.666 -2.234 -2.991) 4.587 7.419 ( 1.422 0.451 7.009) 7.166 7.429 ( -2.388 0.798 5.476) 6.027 7.691 ( 3.173 3.084 -2.877) 5.278 7.731 ( 0.809 1.204 -3.378) 3.677 8.156 ( 1.967 3.796 2.576) 4.992 8.200 ( -3.864 4.766 1.637) 6.350 8.268 ( 1.482 0.532 4.192) 4.478 8.385 ( -4.019 -2.337 0.739) 4.707 8.788 ( -1.776 3.556 2.417) 4.652 8.884 ( -0.609 -0.782 0.869) 1.317 9.058 ( -0.035 0.775 -1.968) 2.115 9.183 ( 1.870 -4.278 -4.735) 6.650 ======================= Grid point 271 (144/205) ======================= q-point: ( 0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 11.400 15.923 14.219) 24.201 2.862 ( 3.868 15.898 13.760) 21.379 3.045 ( 1.395 13.469 -9.682) 16.647 3.461 ( 7.320 -6.441 4.378) 10.688 3.543 ( 5.603 -2.842 -0.135) 6.284 3.633 ( -8.544 0.298 1.860) 8.749 3.719 ( 4.703 -5.996 7.463) 10.666 3.983 ( -0.699 -8.098 -11.540) 14.115 4.158 ( 3.347 17.715 16.791) 24.637 4.298 ( -7.570 8.619 11.045) 15.924 4.510 ( -10.840 -0.023 -4.409) 11.703 4.687 ( 1.343 -2.692 -1.029) 3.180 4.859 ( 0.565 -8.144 -2.889) 8.660 5.011 ( -0.317 -9.408 -0.338) 9.419 5.161 ( 0.454 -3.884 -6.624) 7.692 5.227 ( 0.574 -4.591 -6.305) 7.821 6.150 ( 0.740 0.490 3.631) 3.738 6.177 ( 1.406 -0.743 4.374) 4.654 6.426 ( -2.430 2.880 -1.253) 3.971 6.528 ( -0.339 -2.419 -4.972) 5.540 6.696 ( -0.864 1.827 -1.581) 2.566 6.770 ( 1.198 -1.471 -0.916) 2.107 6.895 ( 1.076 0.721 -1.695) 2.133 6.973 ( 2.842 -2.527 -3.478) 5.153 7.416 ( -3.345 1.781 4.650) 5.999 7.483 ( -0.023 -2.093 5.531) 5.914 7.692 ( 0.030 3.380 -3.706) 5.016 7.742 ( 2.779 1.447 -3.508) 4.703 8.144 ( -2.571 5.891 1.013) 6.507 8.232 ( 3.185 2.883 3.142) 5.323 8.321 ( -3.231 -2.227 0.316) 3.936 8.336 ( 1.681 -0.475 4.379) 4.715 8.783 ( -0.792 3.602 2.490) 4.450 8.885 ( -0.353 -1.200 1.600) 2.031 9.042 ( 0.186 1.599 -2.254) 2.770 9.179 ( 1.422 -4.396 -3.907) 6.051 ======================= Grid point 272 (145/205) ======================= q-point: ( 0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 6.966 11.262 2.182) 13.421 3.069 ( 4.097 10.852 5.788) 12.963 3.074 ( 9.217 12.753 5.530) 16.678 3.509 ( -5.361 6.698 2.946) 9.071 3.521 ( 4.664 2.259 -12.806) 13.815 3.715 ( 3.410 -7.964 7.931) 11.745 3.777 ( -4.674 -8.342 -9.470) 13.458 3.903 ( 4.285 -8.374 6.467) 11.415 4.258 ( -3.041 7.560 6.598) 10.485 4.317 ( -3.228 4.982 1.326) 6.083 4.422 ( 5.959 11.671 13.852) 19.069 4.685 ( -0.016 -3.030 -1.716) 3.483 4.840 ( -1.564 -7.569 1.067) 7.802 5.006 ( -0.827 -4.044 -1.096) 4.270 5.143 ( 1.273 -5.877 -4.119) 7.289 5.211 ( 1.534 -6.021 0.623) 6.245 6.088 ( -5.951 1.558 -4.977) 7.913 6.137 ( -5.199 -1.379 -4.416) 6.959 6.379 ( -1.941 2.292 -0.598) 3.063 6.476 ( -1.301 -2.212 -5.455) 6.029 6.731 ( 3.378 2.107 3.842) 5.533 6.801 ( 2.171 -1.374 0.954) 2.741 6.889 ( 0.052 1.360 -2.514) 2.858 6.986 ( 1.926 -2.813 -3.910) 5.188 7.379 ( -3.943 2.411 2.832) 5.421 7.499 ( -1.774 -3.588 2.551) 4.746 7.658 ( -0.535 4.521 -3.198) 5.563 7.752 ( 1.498 0.736 -4.167) 4.489 8.117 ( -1.123 5.546 0.500) 5.681 8.268 ( -1.982 -2.119 -0.706) 2.986 8.321 ( 3.173 2.013 3.465) 5.111 8.391 ( 0.540 -0.596 4.242) 4.317 8.799 ( 0.256 3.618 2.768) 4.562 8.898 ( 0.235 -1.204 2.342) 2.643 9.030 ( 0.471 2.033 -2.151) 2.997 9.175 ( 1.043 -4.424 -2.987) 5.439 ======================= Grid point 273 (146/205) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 0.071 6.046 -1.288) 6.182 3.111 ( 0.774 5.472 -2.586) 6.101 3.285 ( 7.281 14.751 10.327) 19.423 3.399 ( -5.968 0.802 -13.594) 14.868 3.461 ( -9.681 -0.017 -12.321) 15.669 3.596 ( 4.718 5.726 11.505) 13.690 3.901 ( 5.288 -6.534 5.101) 9.833 4.054 ( 4.445 -7.396 8.107) 11.840 4.295 ( 3.687 3.325 2.658) 5.632 4.323 ( 0.891 6.206 3.495) 7.178 4.562 ( 1.052 -2.734 -0.997) 3.094 4.705 ( 0.203 -4.281 2.070) 4.760 4.882 ( 3.362 5.987 11.108) 13.059 4.979 ( 0.436 -2.391 -2.500) 3.487 5.094 ( -1.899 -5.062 -3.244) 6.305 5.306 ( 3.050 -4.575 7.771) 9.520 5.914 ( -6.501 1.413 -7.819) 10.266 5.960 ( -7.095 -1.025 -9.238) 11.693 6.315 ( -3.770 1.474 -2.729) 4.882 6.397 ( -1.703 -2.469 -6.852) 7.480 6.823 ( 1.370 0.004 1.306) 1.893 6.838 ( 0.207 -0.526 -1.131) 1.265 6.888 ( 2.908 2.899 1.876) 4.514 6.999 ( 2.529 -2.580 -1.661) 3.976 7.316 ( -4.166 2.737 0.425) 5.003 7.458 ( -3.041 -3.427 -1.395) 4.789 7.630 ( -0.508 4.204 -1.282) 4.425 7.737 ( 0.600 0.312 -3.862) 3.921 8.108 ( -0.254 4.626 0.382) 4.648 8.230 ( -1.407 -1.546 -1.158) 2.390 8.399 ( 2.277 0.660 3.025) 3.843 8.424 ( -0.283 -0.232 3.884) 3.902 8.831 ( 0.606 3.644 3.103) 4.825 8.929 ( 0.699 -1.076 2.884) 3.156 9.024 ( 0.554 2.181 -1.912) 2.953 9.170 ( 0.808 -4.333 -2.447) 5.042 ======================= Grid point 274 (147/205) ======================= q-point: (-0.56 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -13.983 8.737 4.248) 17.026 3.094 ( -14.979 3.886 -5.124) 16.301 3.147 ( 2.846 1.088 -12.191) 12.566 3.271 ( -1.235 -7.115 -9.061) 11.587 3.501 ( 6.993 13.893 10.134) 18.564 3.794 ( 4.192 7.931 12.705) 15.553 4.000 ( 2.544 -2.712 2.048) 4.245 4.175 ( 2.447 -6.136 5.683) 8.714 4.331 ( -1.679 3.985 6.228) 7.582 4.437 ( 6.522 2.273 -0.828) 6.957 4.545 ( -0.156 -2.073 -2.514) 3.262 4.686 ( -1.526 -9.466 0.074) 9.588 4.944 ( -4.548 0.067 0.402) 4.566 4.984 ( 3.490 -3.080 -1.446) 4.874 5.174 ( 6.580 6.413 9.429) 13.165 5.401 ( 0.585 -1.561 6.755) 6.958 5.755 ( -3.931 -0.242 -7.076) 8.098 5.766 ( -5.396 -0.515 -8.775) 10.314 6.220 ( -2.938 1.393 -3.751) 4.964 6.317 ( -0.584 -3.319 -7.339) 8.075 6.777 ( -2.081 0.221 -4.049) 4.558 6.822 ( -0.654 -1.157 -4.332) 4.532 6.984 ( 3.080 2.370 4.523) 5.964 7.053 ( 2.253 -1.059 2.107) 3.261 7.247 ( -2.555 2.628 -0.810) 3.754 7.381 ( -2.582 -2.492 -3.681) 5.141 7.618 ( -0.363 3.491 0.167) 3.514 7.724 ( 0.958 -0.188 -2.916) 3.075 8.110 ( -0.017 3.445 0.669) 3.509 8.196 ( -1.388 -0.795 -1.147) 1.969 8.432 ( -0.889 0.799 3.334) 3.542 8.463 ( 1.435 -0.728 2.398) 2.888 8.863 ( -0.048 3.686 3.293) 4.943 8.963 ( 0.349 -1.028 3.030) 3.219 9.020 ( 0.575 2.087 -1.633) 2.712 9.166 ( 0.806 -4.201 -2.486) 4.947 ======================= Grid point 275 (148/205) ======================= q-point: (-0.44 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -14.889 10.151 3.828) 18.422 2.803 ( -15.218 9.815 3.097) 18.371 3.025 ( -3.874 -5.995 -7.799) 10.572 3.261 ( 1.658 -11.009 -2.881) 11.500 3.671 ( 2.621 11.739 7.999) 14.445 3.911 ( 1.279 10.578 5.348) 11.922 4.041 ( 0.074 2.875 2.874) 4.066 4.215 ( -2.237 -5.583 2.766) 6.620 4.372 ( 0.013 3.230 8.346) 8.949 4.443 ( -5.164 1.978 0.251) 5.536 4.529 ( -1.369 -2.055 -1.736) 3.018 4.692 ( 4.024 -9.253 -2.595) 10.419 4.872 ( -1.500 1.775 -1.071) 2.559 5.079 ( 6.779 -5.183 0.566) 8.552 5.304 ( 0.814 4.687 4.654) 6.655 5.420 ( -1.374 -1.151 -0.747) 1.941 5.658 ( -0.622 -0.486 -2.866) 2.973 5.678 ( -0.748 -0.983 -2.023) 2.370 6.169 ( 0.236 1.486 -2.541) 2.953 6.269 ( 1.389 -3.140 -6.580) 7.422 6.711 ( -1.393 0.345 -3.513) 3.794 6.769 ( -0.257 -1.699 -5.279) 5.552 7.049 ( 0.461 1.564 3.230) 3.619 7.085 ( -0.713 -0.124 2.095) 2.217 7.224 ( 0.380 2.415 -0.340) 2.468 7.327 ( 0.082 -1.160 -3.241) 3.443 7.616 ( -0.266 3.315 0.614) 3.382 7.727 ( 1.675 -0.760 -2.501) 3.104 8.115 ( -0.351 2.445 1.186) 2.740 8.162 ( -1.386 0.091 -0.742) 1.575 8.435 ( -1.498 1.664 3.045) 3.780 8.499 ( 0.740 -1.165 1.563) 2.085 8.877 ( -1.336 3.734 3.312) 5.167 8.977 ( -1.106 0.073 1.718) 2.044 9.026 ( 1.082 0.544 -0.366) 1.265 9.162 ( 1.238 -4.163 -3.063) 5.315 ======================= Grid point 276 (149/205) ======================= q-point: (-0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -14.651 12.223 7.402) 20.466 2.601 ( -11.637 15.103 9.475) 21.291 2.936 ( -2.567 -10.566 1.082) 10.927 3.257 ( -0.961 -15.162 0.950) 15.222 3.689 ( -4.087 10.604 1.345) 11.444 3.974 ( 2.554 10.674 0.048) 10.976 4.036 ( -4.645 13.359 6.830) 15.706 4.137 ( -4.981 -6.750 -3.809) 9.214 4.286 ( -11.157 2.965 2.705) 11.857 4.410 ( -7.252 2.063 9.869) 12.419 4.514 ( 3.234 -0.792 1.086) 3.502 4.767 ( 4.729 -8.298 -1.346) 9.645 4.879 ( 5.005 -0.539 -6.784) 8.448 5.184 ( 3.651 -9.205 -4.599) 10.919 5.329 ( 0.092 2.698 3.859) 4.709 5.391 ( 1.094 0.160 -0.340) 1.157 5.649 ( 0.924 -1.183 -0.518) 1.588 5.682 ( 0.423 -2.000 0.325) 2.069 6.186 ( 2.642 1.623 -0.434) 3.131 6.267 ( 3.169 -2.218 -4.055) 5.604 6.688 ( 1.113 0.393 -1.194) 1.679 6.753 ( 2.297 -2.029 -2.817) 4.163 7.048 ( -2.116 0.643 0.855) 2.371 7.070 ( -1.708 -0.199 0.161) 1.727 7.239 ( 0.703 3.086 1.124) 3.359 7.334 ( 2.070 -0.180 -0.850) 2.245 7.618 ( 0.145 3.754 0.239) 3.765 7.741 ( 1.796 -1.127 -2.604) 3.359 8.111 ( -1.110 2.281 1.122) 2.774 8.142 ( -0.419 0.474 0.653) 0.910 8.420 ( -2.711 2.799 2.652) 4.713 8.513 ( -0.389 -1.247 1.130) 1.727 8.865 ( -2.596 3.658 3.137) 5.474 8.955 ( -2.071 0.714 0.552) 2.259 9.048 ( 1.166 -0.707 0.242) 1.384 9.165 ( 2.073 -4.187 -3.879) 6.072 ======================= Grid point 277 (150/205) ======================= q-point: (-0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -11.115 17.475 12.289) 24.081 2.531 ( -6.320 17.022 14.167) 23.030 2.952 ( -0.160 -14.267 9.300) 17.031 3.255 ( -0.970 -16.221 3.910) 16.714 3.583 ( -5.905 11.240 -3.632) 13.206 3.874 ( -8.985 12.498 -4.197) 15.955 4.011 ( -7.047 9.821 2.732) 12.393 4.047 ( -2.237 9.102 4.602) 10.442 4.139 ( -5.148 -4.941 -0.659) 7.166 4.339 ( -5.489 0.441 6.682) 8.658 4.599 ( 1.852 -0.070 5.027) 5.358 4.819 ( 1.543 -9.339 -0.299) 9.471 4.922 ( 5.964 -2.721 -9.768) 11.764 5.158 ( 1.082 -8.422 -8.053) 11.703 5.317 ( -3.722 2.442 0.856) 4.533 5.461 ( 2.942 -3.053 -1.317) 4.440 5.692 ( 2.892 -1.136 1.920) 3.653 5.720 ( 5.142 -2.102 2.975) 6.301 6.253 ( 3.887 1.566 2.040) 4.661 6.331 ( 5.454 -2.221 0.011) 5.889 6.725 ( 2.800 0.661 0.174) 2.882 6.801 ( 3.785 -2.280 -0.690) 4.473 6.993 ( -3.501 0.644 -1.702) 3.946 7.023 ( -2.488 -0.649 -2.356) 3.487 7.270 ( 0.837 3.678 3.759) 5.326 7.375 ( 1.610 -0.281 2.137) 2.691 7.627 ( 1.206 4.289 -0.768) 4.521 7.748 ( 1.326 -0.920 -2.912) 3.329 8.102 ( -0.584 2.874 1.126) 3.142 8.155 ( 0.432 0.243 2.292) 2.345 8.373 ( -4.601 4.085 2.238) 6.547 8.499 ( -2.158 -1.481 0.990) 2.798 8.836 ( -2.910 3.481 2.812) 5.338 8.919 ( -1.919 0.397 0.296) 1.982 9.067 ( 0.796 -0.741 -0.397) 1.157 9.175 ( 2.539 -4.163 -4.600) 6.704 ======================= Grid point 278 (151/205) ======================= q-point: (-0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -2.231 21.254 15.156) 26.199 2.579 ( -2.118 17.808 16.751) 24.540 3.068 ( 2.388 -16.297 14.160) 21.721 3.276 ( -1.537 -10.759 2.933) 11.257 3.432 ( -5.177 9.351 -3.632) 11.289 3.697 ( -4.184 11.860 -6.425) 14.123 3.942 ( -7.884 5.106 7.559) 12.057 3.955 ( -6.912 11.913 5.761) 14.930 4.096 ( 1.162 -2.689 -5.230) 5.995 4.327 ( -1.858 -0.423 6.192) 6.479 4.646 ( -1.003 -0.022 4.964) 5.064 4.825 ( -1.189 -10.354 0.890) 10.460 4.925 ( 2.506 -2.792 -10.144) 10.816 5.113 ( -0.176 -7.365 -7.021) 10.177 5.234 ( -2.565 1.000 -3.962) 4.825 5.414 ( -2.189 -5.275 -8.497) 10.238 5.836 ( 7.784 0.331 6.960) 10.447 5.880 ( 6.967 -1.592 6.372) 9.574 6.353 ( 4.205 1.653 3.378) 5.641 6.453 ( 6.304 -3.252 1.861) 7.334 6.772 ( 1.951 0.980 -0.842) 2.340 6.855 ( 1.911 -2.291 -1.206) 3.218 6.899 ( -3.698 1.455 -3.619) 5.375 6.955 ( -1.565 -1.380 -3.626) 4.183 7.334 ( 1.625 2.853 6.424) 7.215 7.415 ( -0.419 -0.166 4.701) 4.722 7.652 ( 2.725 4.090 -2.022) 5.315 7.744 ( 0.838 -0.089 -3.189) 3.299 8.113 ( 0.675 3.464 1.792) 3.958 8.193 ( 1.237 -0.043 3.372) 3.592 8.293 ( -5.433 5.186 1.978) 7.767 8.451 ( -3.740 -1.992 0.951) 4.343 8.808 ( -2.457 3.463 2.543) 4.949 8.894 ( -1.091 -0.149 0.395) 1.170 9.070 ( 0.229 -0.138 -1.275) 1.303 9.183 ( 2.335 -4.175 -4.981) 6.906 ======================= Grid point 279 (152/205) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 3.753 -15.983 13.728) 21.401 2.821 ( 3.753 15.983 13.728) 21.401 3.102 ( 3.910 -10.996 12.504) 17.104 3.102 ( 3.910 10.996 12.504) 17.104 3.536 ( -3.676 -11.570 -4.843) 13.070 3.536 ( -3.676 11.570 -4.843) 13.070 3.916 ( -1.889 -8.458 -6.389) 10.767 3.916 ( -1.889 8.458 -6.389) 10.767 4.329 ( 1.896 -8.137 7.143) 10.992 4.329 ( 1.896 8.137 7.143) 10.992 4.617 ( -5.597 -2.577 5.239) 8.088 4.617 ( -5.597 2.577 5.239) 8.088 4.904 ( -2.065 -5.516 -5.975) 8.389 4.904 ( -2.065 5.516 -5.975) 8.389 5.202 ( -1.141 -3.462 -7.203) 8.073 5.202 ( -1.141 3.462 -7.203) 8.073 6.041 ( 6.235 -0.425 7.192) 9.528 6.041 ( 6.235 0.425 7.192) 9.528 6.485 ( 2.542 -2.726 0.496) 3.760 6.485 ( 2.542 2.726 0.496) 3.760 6.777 ( -2.077 -1.040 -3.944) 4.577 6.777 ( -2.077 1.040 -3.944) 4.577 6.902 ( 1.960 -1.591 -2.181) 3.336 6.902 ( 1.960 1.591 -2.181) 3.336 7.431 ( -1.013 -0.493 6.316) 6.416 7.431 ( -1.013 0.493 6.316) 6.416 7.734 ( 2.257 -0.995 -3.422) 4.219 7.734 ( 2.257 0.995 -3.422) 4.219 8.220 ( 1.569 -2.148 3.135) 4.112 8.220 ( 1.569 2.148 3.135) 4.112 8.319 ( -3.960 -3.816 1.615) 5.732 8.319 ( -3.960 3.816 1.615) 5.732 8.851 ( -1.444 -2.422 1.944) 3.424 8.851 ( -1.444 2.422 1.944) 3.424 9.102 ( 1.331 -3.339 -3.827) 5.250 9.102 ( 1.331 3.339 -3.827) 5.250 ======================= Grid point 281 (153/205) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 5.192 -7.336 11.166) 14.334 3.007 ( 5.192 7.336 11.166) 14.334 3.257 ( 4.274 -6.129 4.582) 8.765 3.257 ( 4.274 6.129 4.582) 8.765 3.508 ( 2.747 -4.660 3.164) 6.267 3.508 ( 2.747 4.660 3.164) 6.267 3.830 ( -1.457 -7.742 -8.954) 11.926 3.830 ( -1.457 7.742 -8.954) 11.926 4.427 ( 0.118 -3.244 7.721) 8.375 4.427 ( 0.118 3.244 7.721) 8.375 4.539 ( -3.874 -5.906 1.325) 7.187 4.539 ( -3.874 5.906 1.325) 7.187 4.836 ( -1.550 -5.255 0.998) 5.569 4.836 ( -1.550 5.255 0.998) 5.569 5.142 ( -0.038 -2.357 -6.725) 7.127 5.142 ( -0.038 2.357 -6.725) 7.127 6.162 ( 1.159 -0.697 3.800) 4.033 6.162 ( 1.159 0.697 3.800) 4.033 6.480 ( -1.127 -2.407 -3.419) 4.330 6.480 ( -1.127 2.407 -3.419) 4.330 6.736 ( 0.319 -1.893 -1.143) 2.234 6.736 ( 0.319 1.893 -1.143) 2.234 6.924 ( 2.137 -2.035 -2.801) 4.068 6.924 ( 2.137 2.035 -2.801) 4.068 7.447 ( -2.210 -1.451 5.280) 5.905 7.447 ( -2.210 1.451 5.280) 5.905 7.743 ( 1.677 -1.358 -3.781) 4.353 7.743 ( 1.677 1.358 -3.781) 4.353 8.242 ( -1.824 -3.286 0.974) 3.883 8.242 ( -1.824 3.286 0.974) 3.883 8.306 ( 0.971 -1.928 3.651) 4.242 8.306 ( 0.971 1.928 3.651) 4.242 8.847 ( -0.635 -2.497 2.118) 3.335 8.847 ( -0.635 2.497 2.118) 3.335 9.095 ( 1.063 -3.531 -3.343) 4.977 9.095 ( 1.063 3.531 -3.343) 4.977 ======================= Grid point 283 (154/205) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 2.866 -3.458 2.301) 5.047 3.144 ( 2.866 3.458 2.301) 5.047 3.365 ( 5.928 -13.236 4.618) 15.220 3.365 ( 5.928 13.236 4.618) 15.220 3.620 ( 1.590 -3.194 -5.335) 6.418 3.620 ( 1.590 3.194 -5.335) 6.418 3.738 ( 0.164 -6.656 2.883) 7.255 3.738 ( 0.164 6.656 2.883) 7.255 4.412 ( -2.995 -1.716 4.028) 5.304 4.412 ( -2.995 1.716 4.028) 5.304 4.531 ( 0.079 -5.676 -1.344) 5.833 4.531 ( 0.079 5.676 -1.344) 5.833 4.908 ( 4.184 -9.199 10.202) 14.360 4.908 ( 4.184 9.199 10.202) 14.360 5.084 ( -1.219 -3.265 -4.763) 5.902 5.084 ( -1.219 3.265 -4.763) 5.902 6.114 ( -5.301 -1.036 -4.813) 7.235 6.114 ( -5.301 1.036 -4.813) 7.235 6.429 ( -1.710 -2.409 -3.281) 4.415 6.429 ( -1.710 2.409 -3.281) 4.415 6.770 ( 2.651 -1.693 2.256) 3.871 6.770 ( 2.651 1.693 2.256) 3.871 6.931 ( 1.315 -2.508 -3.333) 4.373 6.931 ( 1.315 2.508 -3.333) 4.373 7.432 ( -3.062 -2.860 2.919) 5.107 7.432 ( -3.062 2.860 2.919) 5.107 7.733 ( 0.511 -2.531 -3.833) 4.621 7.733 ( 0.511 2.531 -3.833) 4.621 8.210 ( -1.532 -3.571 -0.072) 3.886 8.210 ( -1.532 3.571 -0.072) 3.886 8.363 ( 1.408 -1.949 3.961) 4.634 8.363 ( 1.408 1.949 3.961) 4.634 8.863 ( 0.322 -2.416 2.477) 3.476 8.863 ( 0.322 2.416 2.477) 3.476 9.090 ( 0.881 -3.658 -2.651) 4.602 9.090 ( 0.881 3.658 -2.651) 4.602 ======================= Grid point 285 (155/205) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -0.331 -1.762 -2.267) 2.890 3.161 ( -0.331 1.762 -2.267) 2.890 3.415 ( -7.849 -2.405 -14.033) 16.258 3.415 ( -7.849 2.405 -14.033) 16.258 3.561 ( 6.732 -10.453 9.216) 15.477 3.561 ( 6.732 10.453 9.216) 15.477 3.891 ( 5.105 -6.855 9.546) 12.813 3.891 ( 5.105 6.855 9.546) 12.813 4.430 ( 1.621 -7.484 1.759) 7.857 4.430 ( 1.621 7.484 1.759) 7.857 4.511 ( -0.707 -9.949 -0.082) 9.975 4.511 ( -0.707 9.949 -0.082) 9.975 4.990 ( -1.004 -3.773 -4.469) 5.935 4.990 ( -1.004 3.773 -4.469) 5.935 5.133 ( 5.247 -11.469 13.193) 18.251 5.133 ( 5.247 11.469 13.193) 18.251 5.940 ( -6.787 -1.074 -8.841) 11.197 5.940 ( -6.787 1.074 -8.841) 11.197 6.351 ( -3.068 -2.018 -4.919) 6.138 6.351 ( -3.068 2.018 -4.919) 6.138 6.827 ( 0.814 -0.508 -0.201) 0.980 6.827 ( 0.814 0.508 -0.201) 0.980 6.946 ( 2.894 -2.635 0.331) 3.928 6.946 ( 2.894 2.635 0.331) 3.928 7.381 ( -3.547 -3.602 -0.119) 5.056 7.381 ( -3.547 3.602 -0.119) 5.056 7.708 ( -0.106 -2.947 -3.034) 4.231 7.708 ( -0.106 2.947 -3.034) 4.231 8.186 ( -0.934 -2.875 -0.410) 3.050 8.186 ( -0.934 2.875 -0.410) 3.050 8.412 ( 0.771 -0.671 3.515) 3.660 8.412 ( 0.771 0.671 3.515) 3.660 8.894 ( 0.716 -2.349 2.849) 3.761 8.894 ( 0.716 2.349 2.849) 3.761 9.086 ( 0.751 -3.711 -2.143) 4.351 9.086 ( 0.751 3.711 -2.143) 4.351 ======================= Grid point 287 (156/205) ======================= q-point: (-0.56 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -7.155 -8.246 -2.695) 11.245 3.091 ( -7.155 8.246 -2.695) 11.245 3.155 ( -7.459 -0.349 -8.702) 11.467 3.155 ( -7.459 0.349 -8.702) 11.467 3.765 ( 6.400 -10.857 9.407) 15.726 3.765 ( 6.400 10.857 9.407) 15.726 4.028 ( 2.946 -7.196 6.241) 9.971 4.028 ( 2.946 7.196 6.241) 9.971 4.460 ( 1.963 -5.291 -2.092) 6.019 4.460 ( 1.963 5.291 -2.092) 6.019 4.522 ( -0.171 -2.517 2.334) 3.437 4.522 ( -0.171 2.517 2.334) 3.437 4.944 ( -0.180 -0.644 -1.694) 1.821 4.944 ( -0.180 0.644 -1.694) 1.821 5.318 ( 3.083 -6.286 10.584) 12.690 5.318 ( 3.083 6.286 10.584) 12.690 5.758 ( -4.869 -0.362 -8.364) 9.684 5.758 ( -4.869 0.362 -8.364) 9.684 6.258 ( -1.955 -2.375 -5.562) 6.356 6.258 ( -1.955 2.375 -5.562) 6.356 6.794 ( -1.370 -1.304 -4.415) 4.803 6.794 ( -1.370 1.304 -4.415) 4.803 7.026 ( 2.693 -1.677 3.660) 4.843 7.026 ( 2.693 1.677 3.660) 4.843 7.313 ( -2.330 -3.577 -2.146) 4.778 7.313 ( -2.330 3.577 -2.146) 4.778 7.689 ( 0.160 -2.934 -1.864) 3.480 7.689 ( 0.160 2.934 -1.864) 3.480 8.168 ( -0.803 -2.028 -0.213) 2.192 8.168 ( -0.803 2.028 -0.213) 2.192 8.447 ( 0.322 -0.754 2.809) 2.926 8.447 ( 0.322 0.754 2.809) 2.926 8.927 ( 0.156 -2.437 3.065) 3.919 8.927 ( 0.156 2.437 3.065) 3.919 9.083 ( 0.677 -3.718 -2.025) 4.287 9.083 ( 0.677 3.718 -2.025) 4.287 ======================= Grid point 289 (157/205) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -10.493 -8.938 -3.253) 14.162 2.869 ( -10.493 8.938 -3.253) 14.162 3.026 ( -6.548 -11.471 1.425) 13.285 3.026 ( -6.548 11.471 1.425) 13.285 3.911 ( 1.941 -11.128 6.174) 12.873 3.911 ( 1.941 11.128 6.174) 12.873 4.102 ( 1.296 -7.205 3.653) 8.181 4.102 ( 1.296 7.205 3.653) 8.181 4.466 ( -1.731 -4.374 -1.526) 4.946 4.466 ( -1.731 4.374 -1.526) 4.946 4.527 ( 1.433 -6.072 1.107) 6.336 4.527 ( 1.433 6.072 1.107) 6.336 4.962 ( 1.905 -5.829 0.302) 6.139 4.962 ( 1.905 5.829 0.302) 6.139 5.380 ( -1.602 -2.757 2.994) 4.374 5.380 ( -1.602 2.757 2.994) 4.374 5.662 ( -1.085 -0.618 -2.185) 2.517 5.662 ( -1.085 0.618 -2.185) 2.517 6.210 ( 1.152 -2.525 -4.559) 5.337 6.210 ( 1.152 2.525 -4.559) 5.337 6.733 ( -0.862 -1.622 -4.474) 4.837 6.733 ( -0.862 1.622 -4.474) 4.837 7.074 ( -0.438 -0.883 2.746) 2.918 7.074 ( -0.438 0.883 2.746) 2.918 7.281 ( 0.760 -2.860 -1.769) 3.448 7.281 ( 0.760 2.860 -1.769) 3.448 7.685 ( 0.749 -3.050 -1.322) 3.407 7.685 ( 0.749 3.050 -1.322) 3.407 8.153 ( -0.893 -1.093 0.277) 1.438 8.153 ( -0.893 1.093 0.277) 1.438 8.469 ( -0.072 -1.623 2.188) 2.726 8.469 ( -0.072 1.623 2.188) 2.726 8.943 ( -1.181 -2.630 3.157) 4.275 8.943 ( -1.181 2.630 3.157) 4.275 9.080 ( 0.953 -3.699 -2.389) 4.506 9.080 ( 0.953 3.699 -2.389) 4.506 ======================= Grid point 291 (158/205) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -8.749 -12.492 4.622) 15.936 2.695 ( -8.749 12.492 4.622) 15.936 2.930 ( -5.992 -16.331 4.737) 18.029 2.930 ( -5.992 16.331 4.737) 18.029 3.919 ( -2.993 -11.488 -0.360) 11.877 3.919 ( -2.993 11.488 -0.360) 11.877 4.137 ( -1.119 -3.546 3.498) 5.105 4.137 ( -1.119 3.546 3.498) 5.105 4.384 ( -5.309 -5.829 0.387) 7.894 4.384 ( -5.309 5.829 0.387) 7.894 4.588 ( 2.588 -8.588 2.048) 9.200 4.588 ( 2.588 8.588 2.048) 9.200 4.986 ( 1.938 -9.101 -4.016) 10.135 4.986 ( 1.938 9.101 -4.016) 10.135 5.377 ( 0.196 -1.677 2.247) 2.811 5.377 ( 0.196 1.677 2.247) 2.811 5.647 ( -0.263 -1.065 0.336) 1.147 5.647 ( -0.263 1.065 0.336) 1.147 6.224 ( 3.188 -2.003 -2.342) 4.434 6.224 ( 3.188 2.003 -2.342) 4.434 6.713 ( 1.698 -1.779 -2.117) 3.245 6.713 ( 1.698 1.779 -2.117) 3.245 7.061 ( -2.131 -0.599 0.503) 2.270 7.061 ( -2.131 0.599 0.503) 2.270 7.302 ( 1.725 -2.636 0.185) 3.156 7.302 ( 1.725 2.636 0.185) 3.156 7.693 ( 1.262 -3.262 -1.487) 3.801 7.693 ( 1.262 3.262 -1.487) 3.801 8.142 ( -0.718 -0.643 0.921) 1.333 8.142 ( -0.718 0.643 0.921) 1.333 8.475 ( -1.162 -2.387 1.805) 3.210 8.475 ( -1.162 2.387 1.805) 3.210 8.931 ( -2.690 -2.549 2.897) 4.704 8.931 ( -2.690 2.549 2.897) 4.704 9.084 ( 1.776 -3.455 -2.886) 4.839 9.084 ( 1.776 3.455 -2.886) 4.839 ======================= Grid point 293 (159/205) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -5.417 -16.896 11.542) 21.167 2.628 ( -5.417 16.896 11.542) 21.167 2.897 ( -2.765 -18.055 8.037) 19.955 2.897 ( -2.765 18.055 8.037) 19.955 3.821 ( -5.212 -11.160 -4.430) 13.090 3.821 ( -5.212 11.160 -4.430) 13.090 4.099 ( -4.647 -1.194 0.966) 4.894 4.099 ( -4.647 1.194 0.966) 4.894 4.305 ( -4.042 -6.769 2.088) 8.156 4.305 ( -4.042 6.769 2.088) 8.156 4.636 ( -0.228 -6.370 4.477) 7.789 4.636 ( -0.228 6.370 4.477) 7.789 4.981 ( 2.876 -7.486 -7.803) 11.190 4.981 ( 2.876 7.486 -7.803) 11.190 5.387 ( -2.039 -3.934 0.262) 4.438 5.387 ( -2.039 3.934 0.262) 4.438 5.688 ( 4.697 -0.851 2.819) 5.544 5.688 ( 4.697 0.851 2.819) 5.544 6.289 ( 4.559 -1.890 0.803) 5.000 6.289 ( 4.559 1.890 0.803) 5.000 6.755 ( 3.417 -2.057 -0.444) 4.013 6.755 ( 3.417 2.057 -0.444) 4.013 7.007 ( -3.073 -0.776 -1.890) 3.690 7.007 ( -3.073 0.776 -1.890) 3.690 7.341 ( 1.254 -2.855 2.826) 4.209 7.341 ( 1.254 2.855 2.826) 4.209 7.706 ( 1.616 -3.096 -2.095) 4.073 7.706 ( 1.616 3.096 -2.095) 4.073 8.145 ( 0.000 -1.263 1.709) 2.125 8.145 ( 0.000 1.263 1.709) 2.125 8.449 ( -3.133 -3.220 1.626) 4.778 8.449 ( -3.133 3.220 1.626) 4.778 8.898 ( -2.881 -2.298 2.365) 4.379 8.898 ( -2.881 2.298 2.365) 4.379 9.096 ( 2.086 -3.182 -3.344) 5.065 9.096 ( 2.086 3.182 -3.344) 5.065 ======================= Grid point 295 (160/205) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -0.543 -19.379 14.407) 24.154 2.676 ( -0.543 19.379 14.407) 24.154 2.958 ( 0.934 -16.895 11.564) 20.495 2.958 ( 0.934 16.895 11.564) 20.495 3.674 ( -5.937 -11.155 -5.836) 13.919 3.674 ( -5.937 11.155 -5.836) 13.919 4.007 ( -3.997 -5.127 -2.888) 7.114 4.007 ( -3.997 5.127 -2.888) 7.114 4.278 ( -1.420 -7.757 4.498) 9.078 4.278 ( -1.420 7.757 4.498) 9.078 4.649 ( -2.711 -3.896 5.579) 7.324 4.649 ( -2.711 3.896 5.579) 7.324 4.964 ( 1.460 -5.908 -7.553) 9.700 4.964 ( 1.460 5.908 -7.553) 9.700 5.302 ( -3.870 -5.063 -5.245) 8.254 5.302 ( -3.870 5.063 -5.245) 8.254 5.851 ( 7.865 -1.158 6.431) 10.226 5.851 ( 7.865 1.158 6.431) 10.226 6.395 ( 5.072 -2.433 2.468) 6.143 6.395 ( 5.072 2.433 2.468) 6.143 6.807 ( 2.177 -2.235 -1.296) 3.379 6.807 ( 2.177 2.235 -1.296) 3.379 6.927 ( -2.665 -1.339 -3.407) 4.528 6.927 ( -2.665 1.339 -3.407) 4.528 7.389 ( 0.360 -2.230 5.389) 5.843 7.389 ( 0.360 2.230 5.389) 5.843 7.719 ( 1.994 -2.292 -2.845) 4.162 7.719 ( 1.994 2.292 -2.845) 4.162 8.171 ( 1.033 -2.042 2.584) 3.452 8.171 ( 1.033 2.042 2.584) 3.452 8.389 ( -4.565 -3.954 1.571) 6.240 8.389 ( -4.565 3.954 1.571) 6.240 8.868 ( -2.142 -2.268 2.016) 3.714 8.868 ( -2.142 2.268 2.016) 3.714 9.104 ( 1.756 -3.175 -3.780) 5.239 9.104 ( 1.756 3.175 -3.780) 5.239 ======================= Grid point 324 (161/205) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 8.115 0.000 19.825) 21.422 2.162 ( -5.922 0.000 20.300) 21.146 2.366 ( -7.114 0.000 -14.494) 16.146 2.581 ( 5.224 0.000 -18.445) 19.170 3.730 ( 1.776 0.000 30.225) 30.277 3.876 ( -3.353 0.000 5.817) 6.715 3.979 ( -5.947 0.000 2.054) 6.291 4.150 ( -0.512 0.000 -3.257) 3.297 4.279 ( 10.377 0.000 13.400) 16.948 4.395 ( 2.358 0.000 -3.029) 3.838 4.490 ( -3.492 0.000 -13.981) 14.411 4.542 ( -8.084 0.000 -11.102) 13.734 5.121 ( -1.672 0.000 -3.603) 3.972 5.144 ( 4.878 0.000 -5.391) 7.270 5.389 ( -2.848 0.000 1.144) 3.069 5.433 ( 1.486 0.000 -3.125) 3.460 6.141 ( 7.493 0.000 4.834) 8.917 6.178 ( -0.853 0.000 1.952) 2.130 6.470 ( -6.043 0.000 6.740) 9.053 6.627 ( 1.201 0.000 -8.797) 8.879 6.670 ( 1.194 0.000 -1.032) 1.578 6.696 ( 0.106 0.000 -3.013) 3.015 7.003 ( -0.385 0.000 1.843) 1.883 7.036 ( 2.004 0.000 -1.627) 2.581 7.362 ( -4.153 0.000 2.429) 4.812 7.403 ( 3.805 0.000 -1.534) 4.103 7.564 ( 6.249 0.000 1.364) 6.396 7.578 ( -3.006 0.000 -0.334) 3.025 7.977 ( -6.128 0.000 2.029) 6.455 8.000 ( 4.902 0.000 -0.297) 4.911 8.265 ( 1.625 0.000 4.642) 4.918 8.343 ( -1.675 0.000 -3.235) 3.643 8.740 ( -2.583 0.000 4.425) 5.124 8.819 ( 2.512 0.000 -3.490) 4.300 9.175 ( -4.615 0.000 3.544) 5.819 9.257 ( 3.639 0.000 -4.760) 5.992 ======================= Grid point 325 (162/205) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 9.127 0.000 -12.145) 15.192 2.309 ( 1.495 0.000 15.251) 15.325 2.397 ( 18.609 0.000 12.766) 22.567 2.605 ( 13.043 0.000 -14.385) 19.418 3.787 ( -9.580 0.000 3.452) 10.183 3.819 ( -12.752 0.000 1.798) 12.878 4.015 ( 3.731 0.000 25.068) 25.345 4.089 ( 0.017 0.000 -11.538) 11.538 4.288 ( -5.882 0.000 -12.559) 13.868 4.367 ( -0.623 0.000 -1.924) 2.022 4.443 ( 1.468 0.000 1.034) 1.795 4.591 ( 10.308 0.000 11.447) 15.404 5.060 ( -2.076 0.000 -2.406) 3.178 5.187 ( 3.962 0.000 -5.516) 6.791 5.349 ( -3.175 0.000 2.487) 4.033 5.418 ( -1.281 0.000 -0.709) 1.464 6.062 ( -8.020 0.000 -6.196) 10.134 6.217 ( -0.497 0.000 -3.978) 4.008 6.468 ( -2.952 0.000 9.488) 9.936 6.622 ( 1.003 0.000 1.893) 2.143 6.659 ( 1.768 0.000 -7.884) 8.080 6.675 ( -0.408 0.000 0.633) 0.753 7.012 ( 0.407 0.000 0.255) 0.481 7.058 ( 2.333 0.000 -3.035) 3.828 7.303 ( -4.410 0.000 2.577) 5.107 7.448 ( 1.638 0.000 -1.930) 2.532 7.491 ( -3.735 0.000 -3.012) 4.799 7.630 ( 1.292 0.000 -1.913) 2.308 7.914 ( -2.486 0.000 2.256) 3.357 8.112 ( 6.990 0.000 0.114) 6.991 8.291 ( -0.898 0.000 -3.448) 3.563 8.335 ( 2.076 0.000 3.824) 4.351 8.734 ( -1.731 0.000 4.175) 4.519 8.841 ( 2.978 0.000 -3.836) 4.856 9.124 ( -4.275 0.000 4.977) 6.561 9.285 ( 2.831 0.000 -3.494) 4.497 ======================= Grid point 326 (163/205) ======================= q-point: ( 0.22 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 19.778 0.000 -18.038) 26.768 2.530 ( 6.322 0.000 19.615) 20.609 2.662 ( 15.558 0.000 -14.132) 21.018 2.978 ( 22.282 0.000 11.783) 25.206 3.527 ( -18.591 0.000 -0.251) 18.592 3.604 ( -12.328 0.000 2.513) 12.581 3.992 ( 0.684 0.000 -12.195) 12.215 4.098 ( -3.762 0.000 -9.159) 9.901 4.248 ( 4.812 0.000 5.734) 7.485 4.406 ( 3.243 0.000 3.615) 4.857 4.521 ( 0.730 0.000 16.162) 16.179 4.834 ( 7.334 0.000 8.156) 10.968 5.017 ( -0.951 0.000 -1.111) 1.463 5.182 ( 0.599 0.000 -7.276) 7.300 5.305 ( -3.823 0.000 2.365) 4.495 5.384 ( -3.460 0.000 2.738) 4.412 5.861 ( -6.495 0.000 -7.588) 9.988 6.095 ( -5.919 0.000 -8.732) 10.549 6.422 ( -8.293 0.000 3.834) 9.136 6.566 ( -2.420 0.000 -6.407) 6.849 6.699 ( 1.350 0.000 3.912) 4.139 6.730 ( 4.308 0.000 1.998) 4.749 7.016 ( 0.039 0.000 -1.225) 1.226 7.069 ( 1.726 0.000 -4.355) 4.684 7.245 ( -3.693 0.000 2.200) 4.298 7.355 ( -4.145 0.000 -4.732) 6.291 7.496 ( 2.390 0.000 -1.709) 2.938 7.601 ( -1.903 0.000 -2.278) 2.969 7.916 ( 0.511 0.000 2.386) 2.440 8.215 ( 2.191 0.000 -2.594) 3.395 8.286 ( 4.614 0.000 -0.559) 4.647 8.394 ( 1.274 0.000 3.052) 3.307 8.743 ( -0.785 0.000 3.998) 4.074 8.865 ( 2.777 0.000 -3.953) 4.831 9.102 ( -2.815 0.000 5.929) 6.563 9.301 ( 1.434 0.000 -2.824) 3.167 ======================= Grid point 327 (164/205) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 18.461 0.000 -17.120) 25.177 2.827 ( 9.644 0.000 17.572) 20.044 2.853 ( 16.147 0.000 -12.459) 20.395 3.171 ( -17.569 0.000 -1.238) 17.612 3.382 ( -16.089 0.000 7.022) 17.555 3.437 ( 14.977 0.000 11.855) 19.101 3.953 ( -5.165 0.000 -6.509) 8.309 3.959 ( 6.068 0.000 -10.853) 12.434 4.323 ( 2.982 0.000 -1.355) 3.275 4.513 ( 4.621 0.000 3.605) 5.861 4.709 ( 3.608 0.000 17.472) 17.841 4.956 ( -2.101 0.000 5.771) 6.141 5.011 ( 0.291 0.000 1.105) 1.142 5.131 ( 3.805 0.000 -9.657) 10.379 5.243 ( -4.635 0.000 1.830) 4.983 5.308 ( -7.209 0.000 2.651) 7.681 5.744 ( -0.742 0.000 -5.438) 5.488 5.904 ( -6.737 0.000 -8.093) 10.530 6.272 ( -8.748 0.000 1.752) 8.921 6.459 ( -2.484 0.000 -8.849) 9.191 6.761 ( 1.572 0.000 3.741) 4.058 6.801 ( 1.708 0.000 1.921) 2.571 6.980 ( -2.289 0.000 -2.829) 3.639 7.035 ( -1.345 0.000 -5.800) 5.954 7.221 ( -0.579 0.000 2.148) 2.224 7.277 ( -0.785 0.000 -3.063) 3.162 7.521 ( 1.733 0.000 -1.635) 2.383 7.548 ( -2.196 0.000 -0.679) 2.299 7.960 ( 1.882 0.000 2.729) 3.316 8.190 ( -0.685 0.000 -3.533) 3.599 8.396 ( 5.651 0.000 0.118) 5.652 8.430 ( 0.202 0.000 2.959) 2.966 8.766 ( -0.225 0.000 3.953) 3.959 8.878 ( 1.910 0.000 -3.817) 4.268 9.112 ( -1.322 0.000 5.953) 6.098 9.293 ( 0.337 0.000 -2.987) 3.006 ======================= Grid point 328 (165/205) ======================= q-point: ( 0.44 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 14.246 0.000 -14.043) 20.004 2.805 ( -18.364 0.000 6.182) 19.377 3.116 ( 17.191 0.000 -13.113) 21.622 3.120 ( -18.701 0.000 12.509) 22.499 3.143 ( 8.859 0.000 14.029) 16.592 3.616 ( -1.868 0.000 -4.333) 4.719 3.856 ( -3.854 0.000 7.465) 8.402 4.022 ( 7.304 0.000 -8.294) 11.051 4.383 ( 2.316 0.000 5.706) 6.158 4.589 ( -0.148 0.000 -0.201) 0.249 4.866 ( -7.375 0.000 3.342) 8.096 4.882 ( 6.135 0.000 2.469) 6.613 5.029 ( -2.368 0.000 5.934) 6.389 5.175 ( 4.974 0.000 -7.031) 8.613 5.189 ( -0.720 0.000 0.123) 0.730 5.218 ( -0.941 0.000 -0.650) 1.144 5.710 ( -0.071 0.000 -2.983) 2.983 5.750 ( -4.150 0.000 -4.542) 6.153 6.178 ( -3.239 0.000 3.740) 4.948 6.347 ( -1.722 0.000 -8.857) 9.022 6.808 ( 1.193 0.000 1.867) 2.216 6.834 ( 1.188 0.000 0.580) 1.322 6.908 ( -2.519 0.000 -2.201) 3.345 6.951 ( -1.998 0.000 -5.684) 6.025 7.236 ( -0.306 0.000 2.151) 2.173 7.263 ( 0.363 0.000 -0.952) 1.019 7.517 ( -1.339 0.000 0.779) 1.549 7.536 ( 1.368 0.000 -1.823) 2.279 8.020 ( 1.880 0.000 3.188) 3.701 8.143 ( -1.605 0.000 -3.275) 3.647 8.447 ( -1.062 0.000 3.187) 3.359 8.475 ( 3.041 0.000 -0.839) 3.154 8.791 ( -0.575 0.000 3.910) 3.952 8.875 ( 0.937 0.000 -3.447) 3.573 9.144 ( -0.035 0.000 5.314) 5.314 9.270 ( 0.179 0.000 -3.829) 3.833 ======================= Grid point 329 (166/205) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -18.733 0.000 11.456) 21.958 2.830 ( -22.254 0.000 15.040) 26.860 2.950 ( 13.837 0.000 -8.859) 16.430 3.314 ( 10.277 0.000 -6.262) 12.034 3.422 ( 7.781 0.000 12.549) 14.766 3.424 ( -7.790 0.000 -12.436) 14.675 3.831 ( -6.598 0.000 8.858) 11.045 4.028 ( -1.545 0.000 -7.129) 7.295 4.451 ( -11.071 0.000 -1.205) 11.136 4.477 ( -1.006 0.000 11.649) 11.692 4.835 ( -0.296 0.000 3.098) 3.112 4.963 ( 3.943 0.000 -5.683) 6.917 5.024 ( -1.267 0.000 5.554) 5.697 5.212 ( 4.068 0.000 -1.737) 4.423 5.240 ( 6.430 0.000 -2.110) 6.767 5.241 ( 6.156 0.000 -10.804) 12.435 5.683 ( -1.449 0.000 -0.418) 1.508 5.703 ( 1.047 0.000 0.355) 1.106 6.201 ( 1.093 0.000 5.826) 5.928 6.278 ( 1.338 0.000 -6.488) 6.625 6.839 ( 1.097 0.000 0.334) 1.146 6.854 ( 1.037 0.000 -2.043) 2.291 6.875 ( -0.029 0.000 1.022) 1.023 6.903 ( 0.930 0.000 -2.182) 2.372 7.233 ( -1.917 0.000 2.332) 3.019 7.258 ( -0.624 0.000 -0.212) 0.659 7.505 ( -1.013 0.000 1.242) 1.603 7.546 ( 1.447 0.000 -1.994) 2.463 8.074 ( 1.070 0.000 3.628) 3.782 8.080 ( -2.492 0.000 -2.892) 3.818 8.435 ( -3.189 0.000 3.080) 4.434 8.497 ( 0.627 0.000 -1.689) 1.802 8.803 ( -1.456 0.000 3.945) 4.205 8.859 ( 0.189 0.000 -3.129) 3.135 9.190 ( 0.821 0.000 4.303) 4.381 9.245 ( 0.914 0.000 -4.913) 4.997 ======================= Grid point 330 (167/205) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -20.699 0.000 16.013) 26.170 2.547 ( -21.866 0.000 17.279) 27.869 3.144 ( -8.713 0.000 -14.429) 16.855 3.174 ( 14.771 0.000 -1.523) 14.849 3.379 ( -6.657 0.000 11.694) 13.456 3.550 ( -5.646 0.000 2.220) 6.067 3.839 ( 6.066 0.000 -2.770) 6.669 3.876 ( -5.535 0.000 -0.566) 5.564 4.287 ( -6.708 0.000 2.731) 7.243 4.493 ( -5.464 0.000 8.025) 9.709 4.848 ( 0.476 0.000 -1.117) 1.214 4.960 ( -3.914 0.000 4.987) 6.340 5.071 ( 6.242 0.000 -6.158) 8.768 5.210 ( 2.680 0.000 -13.152) 13.423 5.308 ( 6.316 0.000 -5.025) 8.071 5.375 ( 10.139 0.000 -3.876) 10.855 5.667 ( -1.190 0.000 1.977) 2.308 5.774 ( 4.613 0.000 4.866) 6.705 6.294 ( 2.871 0.000 7.508) 8.038 6.316 ( 7.031 0.000 -2.755) 7.551 6.841 ( 0.554 0.000 -4.238) 4.274 6.842 ( 0.150 0.000 -2.114) 2.119 6.923 ( 1.588 0.000 4.859) 5.113 6.943 ( 3.031 0.000 0.679) 3.106 7.214 ( -1.996 0.000 3.474) 4.006 7.242 ( -0.451 0.000 -0.129) 0.469 7.493 ( -1.545 0.000 1.298) 2.018 7.560 ( 1.695 0.000 -1.633) 2.353 8.011 ( -2.610 0.000 -2.351) 3.513 8.115 ( 0.176 0.000 4.036) 4.040 8.373 ( -5.949 0.000 2.459) 6.437 8.480 ( -0.681 0.000 -1.993) 2.106 8.800 ( -2.358 0.000 4.138) 4.763 8.835 ( -0.100 0.000 -3.072) 3.073 9.229 ( 1.909 0.000 -5.853) 6.157 9.234 ( 0.522 0.000 3.107) 3.150 ======================= Grid point 331 (168/205) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -21.911 0.000 19.056) 29.038 2.314 ( -18.928 0.000 19.704) 27.323 2.886 ( -5.885 0.000 -16.272) 17.304 3.197 ( -20.781 0.000 -9.031) 22.659 3.369 ( -7.845 0.000 24.575) 25.797 3.481 ( 14.874 0.000 3.270) 15.229 3.915 ( 1.422 0.000 9.124) 9.234 3.955 ( 8.840 0.000 -6.520) 10.984 4.222 ( -3.894 0.000 3.916) 5.522 4.432 ( -5.077 0.000 3.103) 5.951 4.818 ( -0.630 0.000 -7.969) 7.993 4.893 ( -5.942 0.000 1.020) 6.029 5.137 ( 4.603 0.000 -4.037) 6.122 5.139 ( 2.184 0.000 -13.691) 13.865 5.370 ( 4.535 0.000 -4.135) 6.137 5.482 ( 3.850 0.000 -6.983) 7.974 5.717 ( 5.128 0.000 6.550) 8.319 5.929 ( 6.091 0.000 7.667) 9.792 6.410 ( 2.769 0.000 8.142) 8.600 6.474 ( 10.724 0.000 -1.630) 10.847 6.801 ( -2.291 0.000 -4.154) 4.744 6.803 ( -0.463 0.000 -5.960) 5.978 6.976 ( -0.391 0.000 5.000) 5.015 6.995 ( 1.547 0.000 0.630) 1.671 7.248 ( 2.501 0.000 6.063) 6.559 7.263 ( 2.943 0.000 0.184) 2.949 7.465 ( -2.596 0.000 1.451) 2.974 7.582 ( 1.555 0.000 -0.426) 1.613 7.957 ( -1.325 0.000 -1.681) 2.140 8.144 ( -0.852 0.000 4.239) 4.324 8.263 ( -7.321 0.000 2.081) 7.612 8.445 ( -1.322 0.000 -2.129) 2.506 8.783 ( -3.077 0.000 4.343) 5.323 8.813 ( 0.466 0.000 -3.092) 3.127 9.224 ( 2.771 0.000 -6.325) 6.905 9.250 ( -1.147 0.000 2.278) 2.550 ======================= Grid point 332 (169/205) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -11.031 0.000 21.270) 23.960 2.175 ( -13.439 0.000 21.365) 25.240 2.687 ( -0.988 0.000 -17.819) 17.846 2.726 ( -18.856 0.000 -12.845) 22.815 3.493 ( -2.478 0.000 30.260) 30.361 3.776 ( 10.587 0.000 5.468) 11.915 4.022 ( 2.003 0.000 -3.181) 3.758 4.026 ( 3.293 0.000 11.824) 12.274 4.190 ( -2.840 0.000 2.912) 4.068 4.385 ( -0.454 0.000 -0.855) 0.968 4.684 ( -3.212 0.000 -16.064) 16.382 4.755 ( -7.404 0.000 -5.340) 9.129 5.110 ( 3.980 0.000 -7.910) 8.855 5.160 ( 0.930 0.000 -3.545) 3.665 5.413 ( 3.478 0.000 -3.830) 5.173 5.442 ( -1.910 0.000 -3.366) 3.870 5.925 ( 9.766 0.000 7.115) 12.083 6.091 ( 4.414 0.000 7.727) 8.899 6.501 ( -0.915 0.000 7.986) 8.038 6.623 ( 7.130 0.000 -5.373) 8.928 6.703 ( -2.994 0.000 -5.398) 6.173 6.735 ( -1.364 0.000 -5.756) 5.915 6.995 ( -0.895 0.000 3.504) 3.616 7.015 ( 1.020 0.000 -0.271) 1.055 7.335 ( 4.369 0.000 -0.516) 4.399 7.390 ( 5.373 0.000 4.814) 7.214 7.426 ( -1.498 0.000 2.731) 3.115 7.602 ( 0.038 0.000 0.663) 0.664 7.946 ( 1.492 0.000 -0.980) 1.785 8.093 ( -7.467 0.000 2.070) 7.749 8.213 ( -0.303 0.000 4.475) 4.485 8.398 ( -1.749 0.000 -2.589) 3.124 8.759 ( -3.171 0.000 4.470) 5.480 8.807 ( 1.580 0.000 -3.173) 3.545 9.227 ( -3.307 0.000 2.447) 4.114 9.232 ( 3.474 0.000 -5.947) 6.887 ======================= Grid point 333 (170/205) ======================= q-point: ( 0.00 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 8.689 8.996 18.921) 22.681 2.317 ( -4.843 13.574 16.771) 22.113 2.440 ( -7.629 7.292 -12.561) 16.406 2.702 ( 4.792 10.965 -17.285) 21.023 3.767 ( 1.334 3.127 22.951) 23.201 3.884 ( -6.206 0.149 5.146) 8.063 3.960 ( 2.373 -1.373 6.283) 6.855 4.116 ( -1.926 -4.566 2.691) 5.639 4.276 ( 6.346 -0.355 11.538) 13.173 4.383 ( 0.148 -3.754 -4.128) 5.581 4.460 ( -2.640 2.262 -8.651) 9.323 4.552 ( -7.114 0.385 -15.770) 17.305 5.090 ( 0.397 -2.498 -1.673) 3.033 5.147 ( 3.170 -0.183 -6.932) 7.625 5.325 ( -1.106 -5.919 0.861) 6.083 5.371 ( 0.281 -5.809 -3.652) 6.867 6.150 ( 6.120 0.899 5.344) 8.174 6.187 ( 0.466 0.559 2.503) 2.606 6.458 ( -4.803 -0.917 4.992) 6.988 6.576 ( 1.118 -3.051 -6.723) 7.467 6.691 ( -3.056 0.655 -1.297) 3.383 6.715 ( 3.190 1.393 -3.361) 4.838 6.959 ( -0.194 -3.164 1.990) 3.743 6.998 ( 1.753 -2.973 -2.003) 3.990 7.410 ( -3.721 3.717 3.077) 6.094 7.458 ( 3.494 4.260 -1.422) 5.690 7.558 ( 4.423 -0.279 2.206) 4.950 7.598 ( -1.592 1.488 -1.652) 2.734 8.009 ( -5.737 3.181 1.685) 6.773 8.027 ( 4.538 2.698 -0.096) 5.281 8.290 ( 1.868 2.057 4.382) 5.189 8.361 ( -1.997 1.532 -2.896) 3.837 8.750 ( -2.484 0.985 4.190) 4.970 8.826 ( 2.413 0.655 -3.413) 4.231 9.154 ( -4.255 -1.949 3.412) 5.792 9.234 ( 3.444 -2.168 -4.682) 6.203 ======================= Grid point 334 (171/205) ======================= q-point: ( 0.11 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 8.070 6.209 -17.439) 20.194 2.447 ( 1.709 13.196 18.867) 23.087 2.487 ( 17.816 8.116 14.038) 24.091 2.716 ( 11.523 10.005 -15.525) 21.769 3.722 ( -11.563 -2.611 3.231) 12.286 3.905 ( -6.200 3.996 4.661) 8.726 4.048 ( 0.079 1.176 -2.363) 2.640 4.109 ( 2.730 2.400 13.865) 14.333 4.202 ( -6.740 -6.549 -9.955) 13.690 4.354 ( -2.667 -1.983 -5.102) 6.089 4.429 ( 1.510 -1.329 6.318) 6.630 4.579 ( 9.126 0.389 7.257) 11.667 5.061 ( -1.163 -0.330 -2.049) 2.379 5.165 ( 3.527 -1.990 -6.134) 7.350 5.314 ( -1.442 -3.481 1.636) 4.107 5.343 ( -1.255 -6.761 -0.850) 6.929 6.081 ( -7.746 1.663 -5.798) 9.818 6.218 ( -1.289 -0.137 -4.195) 4.391 6.447 ( -2.543 -1.674 7.551) 8.142 6.576 ( 0.141 -4.196 -3.547) 5.496 6.641 ( 0.253 1.553 2.583) 3.024 6.738 ( 1.829 2.402 -2.385) 3.848 6.961 ( -0.308 -3.636 0.097) 3.650 7.021 ( 2.464 -2.981 -2.737) 4.738 7.359 ( -4.219 4.213 2.707) 6.547 7.501 ( -2.771 1.109 -3.511) 4.608 7.508 ( 1.277 4.680 -1.930) 5.221 7.635 ( 1.684 -0.007 -1.240) 2.091 7.941 ( -2.798 3.005 1.954) 4.547 8.138 ( 6.740 2.398 0.434) 7.167 8.302 ( -1.513 0.969 -2.876) 3.391 8.362 ( 2.048 2.144 3.403) 4.514 8.745 ( -1.579 1.025 3.993) 4.414 8.847 ( 2.869 0.580 -3.667) 4.692 9.108 ( -3.949 -1.511 4.666) 6.297 9.260 ( 2.713 -2.413 -3.485) 5.033 ======================= Grid point 335 (172/205) ======================= q-point: ( 0.22 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 18.007 3.199 -17.666) 25.428 2.661 ( 6.016 11.933 17.930) 22.362 2.766 ( 13.923 8.963 -14.187) 21.805 3.027 ( 20.329 4.548 10.876) 23.500 3.487 ( -15.587 -1.406 0.417) 15.655 3.696 ( -15.477 5.382 2.434) 16.566 3.979 ( 1.737 -1.402 -12.789) 12.982 4.076 ( -1.200 -1.311 -6.948) 7.171 4.282 ( 4.124 2.748 3.757) 6.219 4.355 ( 3.090 -4.710 3.346) 6.552 4.544 ( 1.407 2.452 18.111) 18.330 4.771 ( 4.344 -4.697 8.138) 10.352 5.035 ( 0.008 0.165 -1.250) 1.261 5.163 ( 2.133 -1.428 -7.626) 8.047 5.275 ( -3.510 -4.036 0.879) 5.421 5.328 ( -2.275 -3.474 3.468) 5.410 5.882 ( -6.926 1.781 -7.333) 10.242 6.082 ( -6.678 -1.313 -8.482) 10.875 6.408 ( -7.312 -1.199 3.099) 8.032 6.498 ( -2.193 -4.729 -5.495) 7.575 6.734 ( 3.035 2.283 5.330) 6.545 6.760 ( 2.087 2.342 -0.471) 3.172 6.952 ( -0.270 -4.141 -1.131) 4.301 7.040 ( 2.229 -2.806 -3.163) 4.780 7.298 ( -4.330 3.854 1.777) 6.063 7.388 ( -3.550 2.735 -5.147) 6.824 7.539 ( 2.319 3.710 -2.289) 4.938 7.620 ( -1.593 1.148 -1.281) 2.345 7.936 ( 0.310 2.319 2.183) 3.200 8.235 ( 0.943 1.625 -2.617) 3.221 8.291 ( 4.955 0.672 0.127) 5.002 8.417 ( 1.104 1.878 2.901) 3.628 8.756 ( -0.554 1.230 3.841) 4.071 8.870 ( 2.695 0.585 -3.704) 4.618 9.088 ( -2.631 -1.335 5.547) 6.283 9.274 ( 1.461 -2.490 -2.834) 4.045 ======================= Grid point 336 (173/205) ======================= q-point: ( 0.33 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 18.542 1.784 -16.422) 24.832 2.904 ( 13.276 4.601 -13.406) 19.420 2.935 ( 8.682 9.702 15.575) 20.300 3.170 ( -16.147 -0.257 -1.139) 16.189 3.331 ( -7.788 -1.036 7.555) 10.900 3.548 ( 3.703 6.471 10.225) 12.654 3.947 ( 1.469 0.865 -7.323) 7.519 4.015 ( 2.865 3.983 -7.542) 8.997 4.338 ( 2.553 1.462 -0.530) 2.989 4.473 ( 5.268 -3.850 3.896) 7.600 4.734 ( 3.930 2.351 13.988) 14.718 4.853 ( -1.766 -7.063 6.506) 9.764 5.037 ( -0.016 -0.534 1.379) 1.478 5.134 ( 1.828 -0.552 -8.466) 8.679 5.214 ( -4.132 -3.669 1.773) 5.804 5.286 ( -4.558 0.596 2.532) 5.248 5.749 ( -1.944 0.468 -5.348) 5.710 5.880 ( -7.387 -2.179 -7.709) 10.896 6.269 ( -7.726 -0.232 0.688) 7.760 6.411 ( -2.011 -4.071 -7.594) 8.848 6.776 ( 0.359 0.829 0.217) 0.929 6.811 ( 0.866 0.877 2.011) 2.358 6.931 ( -0.672 -2.210 -1.307) 2.654 7.049 ( 0.990 -0.385 -2.971) 3.156 7.241 ( -2.586 1.855 1.533) 3.532 7.306 ( -1.283 2.622 -4.399) 5.279 7.554 ( 1.195 2.723 -2.418) 3.832 7.582 ( -1.615 2.695 0.573) 3.194 7.977 ( 1.832 1.742 2.465) 3.531 8.200 ( -1.011 0.754 -3.219) 3.458 8.400 ( 5.016 0.580 0.587) 5.084 8.449 ( 0.234 1.481 2.576) 2.980 8.782 ( -0.016 1.497 3.785) 4.070 8.885 ( 1.925 0.753 -3.510) 4.073 9.097 ( -1.228 -1.382 5.588) 5.886 9.268 ( 0.444 -2.354 -2.953) 3.802 ======================= Grid point 337 (174/205) ======================= q-point: ( 0.44 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 13.640 1.634 -13.666) 19.377 2.824 ( -17.470 1.776 5.494) 18.400 3.094 ( -12.171 -1.128 6.147) 13.681 3.115 ( 9.019 -0.713 -9.334) 12.999 3.229 ( 9.348 7.879 13.653) 18.327 3.657 ( -2.192 3.962 -3.394) 5.659 3.913 ( -3.409 5.015 8.198) 10.197 4.079 ( 7.482 4.876 -7.633) 11.748 4.401 ( 2.175 1.593 5.945) 6.528 4.571 ( 1.560 -1.816 0.755) 2.510 4.808 ( -6.420 -5.169 4.334) 9.312 4.864 ( 5.044 -2.534 -2.720) 6.266 5.052 ( -4.088 2.020 7.692) 8.942 5.115 ( 3.371 -4.768 -2.682) 6.426 5.158 ( -2.050 -2.702 1.050) 3.550 5.256 ( 2.401 3.907 -4.531) 6.447 5.702 ( -0.450 -0.685 -2.876) 2.990 5.725 ( -3.797 -2.118 -3.954) 5.877 6.178 ( -3.142 -0.166 2.478) 4.005 6.315 ( -1.347 -2.876 -7.915) 8.528 6.772 ( 0.133 -2.259 -1.392) 2.657 6.797 ( -1.622 -2.896 -1.855) 3.803 6.934 ( 0.979 3.315 1.433) 3.742 7.023 ( -1.035 3.856 -2.879) 4.922 7.230 ( -0.816 -0.342 2.022) 2.207 7.269 ( -0.106 0.669 -2.233) 2.333 7.549 ( -0.833 2.681 0.919) 2.954 7.575 ( 0.925 3.204 -1.600) 3.699 8.034 ( 1.884 1.349 2.937) 3.741 8.151 ( -1.711 0.681 -3.027) 3.543 8.455 ( -0.768 0.702 2.897) 3.079 8.481 ( 2.451 0.548 -0.552) 2.571 8.808 ( -0.466 1.638 3.702) 4.075 8.885 ( 0.982 1.041 -3.137) 3.449 9.127 ( -0.029 -1.534 5.006) 5.236 9.247 ( 0.239 -2.143 -3.712) 4.293 ======================= Grid point 338 (175/205) ======================= q-point: (-0.44 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -17.921 2.805 10.705) 21.063 2.813 ( -21.497 -0.726 14.993) 26.219 2.954 ( 12.819 0.291 -8.111) 15.172 3.318 ( 14.305 -0.472 -9.903) 17.405 3.471 ( -0.184 4.712 1.382) 4.914 3.500 ( 0.227 6.728 -1.634) 6.928 3.872 ( -10.704 4.915 12.391) 17.096 4.091 ( -1.062 4.930 -7.357) 8.920 4.465 ( -8.050 1.093 2.331) 8.451 4.493 ( -3.114 1.443 6.797) 7.615 4.773 ( -1.502 -5.405 4.309) 7.074 4.915 ( 5.710 -4.881 -6.425) 9.885 5.020 ( -3.036 -2.446 4.398) 5.878 5.188 ( 4.115 -0.033 -0.514) 4.147 5.211 ( 7.727 -2.308 -2.846) 8.552 5.266 ( 3.811 2.173 -8.282) 9.371 5.673 ( -0.508 -0.743 -0.125) 0.908 5.692 ( 0.921 -1.017 -0.343) 1.414 6.188 ( 0.772 -1.176 4.752) 4.956 6.258 ( 1.536 -1.857 -5.703) 6.191 6.763 ( -0.278 -4.072 -0.768) 4.153 6.779 ( 1.759 -3.201 -0.584) 3.699 6.973 ( 1.158 4.835 1.372) 5.158 6.983 ( -0.300 4.802 -2.447) 5.398 7.223 ( -1.778 -0.554 2.375) 3.018 7.258 ( -0.037 0.043 -0.738) 0.740 7.537 ( -1.416 2.674 1.386) 3.328 7.587 ( 1.913 3.446 -2.077) 4.455 8.079 ( -1.159 0.688 1.206) 1.809 8.098 ( -0.134 1.331 -0.488) 1.424 8.443 ( -3.067 0.720 2.887) 4.273 8.503 ( 0.817 0.543 -1.505) 1.797 8.819 ( -1.459 1.573 3.672) 4.253 8.872 ( 0.146 1.225 -2.889) 3.142 9.170 ( 0.665 -1.842 4.101) 4.545 9.224 ( 0.895 -2.004 -4.719) 5.204 ======================= Grid point 339 (176/205) ======================= q-point: (-0.33 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -20.620 3.219 15.006) 25.705 2.570 ( -18.685 2.620 18.423) 26.371 3.161 ( 12.863 -0.949 -1.315) 12.964 3.230 ( -7.174 7.339 -12.574) 16.230 3.443 ( -0.895 4.491 0.713) 4.635 3.629 ( -1.376 6.338 3.631) 7.433 3.766 ( -6.130 -1.809 6.668) 9.236 3.956 ( -4.134 4.611 -2.654) 6.737 4.321 ( -5.774 3.075 1.648) 6.747 4.480 ( -5.669 -1.665 5.529) 8.092 4.780 ( -1.390 -4.610 2.990) 5.668 4.976 ( 1.961 -1.705 1.518) 3.010 5.015 ( 2.765 -4.733 -5.181) 7.542 5.217 ( 2.050 0.925 -9.947) 10.198 5.278 ( 5.065 -2.082 -4.791) 7.276 5.350 ( 8.701 -1.632 -4.552) 9.955 5.677 ( 0.223 0.790 1.648) 1.841 5.758 ( 4.917 -1.495 4.372) 6.747 6.265 ( 2.899 -2.227 5.675) 6.751 6.301 ( 6.241 -1.657 -1.439) 6.615 6.771 ( 0.997 -3.306 0.169) 3.457 6.827 ( 2.739 -2.519 0.435) 3.747 6.947 ( -0.480 3.194 -2.953) 4.377 7.007 ( -0.111 2.715 1.433) 3.072 7.218 ( -0.899 1.065 4.078) 4.309 7.259 ( 0.987 1.254 -0.070) 1.597 7.519 ( -1.691 2.357 1.334) 3.193 7.607 ( 1.914 3.759 -1.961) 4.652 8.021 ( -2.561 1.095 -1.834) 3.335 8.133 ( 0.540 1.397 3.487) 3.795 8.384 ( -5.564 1.060 2.202) 6.077 8.493 ( -0.394 1.103 -1.758) 2.112 8.813 ( -2.396 1.315 3.789) 4.671 8.847 ( -0.240 1.205 -2.880) 3.131 9.206 ( 1.301 -2.087 -2.452) 3.473 9.211 ( 0.849 -2.114 -0.107) 2.281 ======================= Grid point 340 (177/205) ======================= q-point: (-0.22 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -20.302 4.493 18.350) 27.732 2.411 ( -15.493 8.217 20.073) 26.655 2.988 ( -5.507 9.279 -15.108) 18.566 3.235 ( -18.854 4.172 -7.805) 20.828 3.413 ( 7.352 0.292 8.300) 11.092 3.549 ( -2.334 9.309 16.172) 18.805 3.850 ( 7.218 -6.981 0.748) 10.069 3.959 ( 0.572 1.731 3.385) 3.845 4.262 ( -3.254 3.465 2.488) 5.365 4.404 ( -4.070 -3.325 0.456) 5.276 4.749 ( -3.366 -3.478 -0.938) 4.930 4.951 ( -3.129 2.122 -4.318) 5.739 5.052 ( 4.020 -5.710 -5.526) 8.905 5.162 ( 2.299 0.407 -10.092) 10.359 5.321 ( 2.926 -4.718 -3.425) 6.523 5.430 ( 3.776 -3.634 -7.008) 8.751 5.746 ( 5.285 2.122 5.972) 8.253 5.920 ( 6.677 -1.030 7.473) 10.074 6.373 ( 3.032 -2.977 6.774) 7.997 6.446 ( 9.713 -2.519 -0.945) 10.079 6.780 ( -0.257 -0.951 -1.602) 1.881 6.835 ( -1.262 1.568 -4.038) 4.512 6.928 ( -0.044 -1.873 0.290) 1.896 6.997 ( -1.176 -1.234 1.039) 1.996 7.270 ( 2.227 2.365 6.606) 7.362 7.310 ( 4.175 3.238 0.538) 5.311 7.496 ( -2.267 2.611 1.742) 3.872 7.624 ( 1.309 3.282 -1.403) 3.802 7.972 ( -1.099 1.756 -1.363) 2.480 8.168 ( -0.054 1.858 3.934) 4.351 8.278 ( -7.177 1.535 1.694) 7.532 8.464 ( -1.193 1.593 -1.904) 2.754 8.793 ( -2.988 1.066 3.941) 5.059 8.823 ( 0.258 1.037 -2.907) 3.098 9.203 ( 2.682 -1.885 -6.081) 6.908 9.223 ( -1.230 -2.533 2.339) 3.660 ======================= Grid point 341 (178/205) ======================= q-point: (-0.11 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -8.765 7.566 20.380) 23.439 2.319 ( -11.370 12.254 20.059) 26.111 2.791 ( -17.275 6.141 -12.364) 22.114 2.802 ( -1.896 10.760 -16.604) 19.876 3.563 ( -0.999 5.800 24.159) 24.866 3.776 ( 9.247 -0.200 9.772) 13.455 3.965 ( -3.072 -1.226 3.127) 4.552 3.996 ( 6.548 -6.697 5.790) 11.012 4.221 ( -3.520 3.234 3.229) 5.768 4.368 ( 1.517 -2.575 -3.287) 4.442 4.633 ( -5.793 -1.912 -6.873) 9.190 4.795 ( -5.966 1.774 -13.165) 14.562 5.073 ( 2.785 -3.279 -3.495) 5.542 5.153 ( 2.432 -0.640 -5.940) 6.450 5.335 ( 0.954 -6.726 -2.118) 7.116 5.402 ( 0.095 -4.033 -5.638) 6.932 5.944 ( 9.090 1.636 7.545) 11.926 6.090 ( 4.717 -0.373 7.732) 9.065 6.462 ( 0.631 -2.976 5.677) 6.441 6.591 ( 6.285 -2.723 -4.137) 8.002 6.716 ( -2.765 1.248 -4.131) 5.125 6.762 ( -1.897 1.757 -4.726) 5.387 6.939 ( 0.158 -3.267 2.144) 3.910 6.992 ( -0.037 -2.594 -0.000) 2.594 7.382 ( 3.947 3.807 2.467) 6.013 7.414 ( 5.913 0.947 3.925) 7.160 7.463 ( -2.499 3.738 1.748) 4.824 7.628 ( -0.258 2.121 -0.609) 2.221 7.968 ( 1.728 2.412 -0.735) 3.057 8.126 ( -7.332 3.051 1.611) 8.103 8.231 ( 0.475 1.476 4.243) 4.517 8.419 ( -1.879 1.733 -2.309) 3.445 8.769 ( -3.047 1.002 4.167) 5.258 8.815 ( 1.432 0.809 -3.102) 3.511 9.201 ( -3.115 -2.394 2.486) 4.649 9.212 ( 3.306 -1.950 -5.774) 6.933 ======================= Grid point 342 (179/205) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 8.853 16.015 16.314) 24.515 2.643 ( -6.147 15.212 -9.718) 19.069 2.670 ( -4.280 16.117 12.942) 21.109 2.989 ( 3.517 15.789 -15.344) 22.296 3.809 ( 4.400 -3.480 12.241) 13.465 3.844 ( -8.117 -1.976 3.568) 9.084 3.870 ( 4.562 -8.939 4.845) 11.144 4.037 ( -0.180 -4.013 -1.298) 4.222 4.174 ( 1.289 -2.321 14.478) 14.719 4.417 ( -3.837 5.369 7.437) 9.942 4.544 ( -2.654 2.930 -11.752) 12.399 4.569 ( -3.624 2.987 -10.366) 11.380 5.019 ( 0.097 -4.841 1.975) 5.229 5.133 ( 2.376 -1.247 -7.836) 8.283 5.168 ( 1.248 -8.405 -0.926) 8.547 5.216 ( -0.660 -8.241 -4.662) 9.491 6.170 ( 4.638 0.688 5.353) 7.116 6.189 ( 1.895 -0.491 4.104) 4.547 6.444 ( -1.766 -0.310 1.988) 2.677 6.522 ( -0.611 -2.183 -5.824) 6.250 6.701 ( -2.789 0.451 -0.160) 2.829 6.733 ( 1.967 0.358 -2.750) 3.400 6.903 ( -0.219 -2.085 1.410) 2.527 6.939 ( 1.799 -2.523 -2.188) 3.794 7.483 ( -3.011 2.948 4.069) 5.858 7.537 ( 2.470 2.071 3.438) 4.713 7.564 ( 3.263 1.882 -1.525) 4.064 7.630 ( -0.847 1.515 -3.540) 3.942 8.099 ( -1.096 5.041 1.210) 5.299 8.109 ( 0.062 5.056 0.263) 5.063 8.331 ( 2.432 1.488 3.800) 4.751 8.389 ( -2.818 0.727 -2.054) 3.562 8.783 ( -2.197 2.195 3.449) 4.642 8.846 ( 2.032 1.368 -2.896) 3.793 9.102 ( -3.294 -2.850 2.821) 5.190 9.173 ( 2.934 -3.492 -4.368) 6.315 ======================= Grid point 343 (180/205) ======================= q-point: ( 0.11 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 4.210 12.799 -15.780) 20.750 2.707 ( 14.983 12.783 14.079) 24.210 2.792 ( 3.297 18.612 15.752) 24.605 2.973 ( 8.216 13.944 -16.368) 23.018 3.688 ( -10.544 -0.983 2.300) 10.837 3.928 ( -3.425 -6.601 -6.296) 9.744 3.953 ( 1.134 -7.144 2.274) 7.583 4.010 ( 5.228 -8.331 2.196) 10.078 4.244 ( -8.251 6.180 -3.217) 10.799 4.362 ( -0.968 4.816 7.986) 9.376 4.410 ( -0.734 0.459 12.467) 12.497 4.623 ( 5.044 3.095 0.471) 5.936 5.026 ( -1.174 -3.593 1.870) 4.217 5.096 ( 0.721 -5.708 -6.800) 8.907 5.192 ( 1.034 -5.573 -4.089) 6.989 5.211 ( 3.029 -6.076 1.771) 7.016 6.116 ( -6.948 1.410 -5.263) 8.829 6.204 ( -3.051 -1.294 -4.590) 5.661 6.418 ( -2.265 -0.796 3.410) 4.170 6.504 ( -0.974 -2.686 -1.676) 3.312 6.678 ( 1.371 1.958 3.304) 4.078 6.766 ( 2.623 0.454 -1.173) 2.909 6.897 ( -0.828 -2.320 -0.111) 2.466 6.960 ( 2.255 -2.691 -2.753) 4.461 7.440 ( -4.490 3.280 3.076) 6.354 7.538 ( -1.978 2.408 -4.494) 5.469 7.599 ( 1.419 3.002 0.754) 3.405 7.623 ( 1.934 -0.235 -2.245) 2.973 8.037 ( -2.753 5.792 0.983) 6.488 8.204 ( 5.646 3.801 1.113) 6.897 8.319 ( -2.545 0.372 -2.232) 3.406 8.404 ( 2.052 1.487 3.255) 4.125 8.778 ( -1.166 2.235 3.375) 4.213 8.866 ( 2.514 1.274 -2.876) 4.027 9.068 ( -3.036 -2.201 3.653) 5.235 9.193 ( 2.404 -3.822 -3.348) 5.621 ======================= Grid point 344 (181/205) ======================= q-point: ( 0.22 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 13.482 9.503 -15.774) 22.823 2.961 ( 5.973 15.435 12.177) 20.547 2.987 ( 9.013 11.788 -13.842) 20.293 3.149 ( 13.337 6.672 10.231) 18.085 3.492 ( -10.899 1.994 -0.972) 11.123 3.707 ( -11.102 -6.036 -4.550) 13.430 3.971 ( 0.183 0.978 -1.301) 1.638 4.081 ( 2.818 1.639 -3.958) 5.128 4.214 ( 5.456 -6.578 2.557) 8.921 4.357 ( -0.083 3.405 1.514) 3.728 4.608 ( 2.137 1.235 19.895) 20.047 4.697 ( 1.576 0.073 3.342) 3.696 5.000 ( -1.809 -2.931 -0.510) 3.482 5.079 ( 0.413 -7.992 -0.241) 8.006 5.168 ( -0.415 -4.002 -3.851) 5.569 5.296 ( 3.589 -0.378 2.749) 4.537 5.920 ( -7.500 1.619 -7.571) 10.779 6.042 ( -7.767 -2.413 -8.314) 11.631 6.380 ( -4.572 -1.387 0.695) 4.828 6.418 ( -4.032 -2.559 -4.612) 6.639 6.779 ( 3.676 1.723 3.186) 5.161 6.807 ( 1.775 2.306 1.060) 3.097 6.878 ( -0.474 -2.998 -0.381) 3.059 6.980 ( 2.467 -2.737 -2.228) 4.306 7.365 ( -5.272 2.564 0.900) 5.931 7.455 ( -2.415 3.269 -5.324) 6.698 7.619 ( 1.407 2.324 -4.349) 5.128 7.629 ( -0.417 0.925 2.425) 2.628 8.017 ( -0.419 5.147 1.221) 5.306 8.257 ( -1.579 0.212 -2.511) 2.974 8.323 ( 5.381 2.385 1.323) 6.033 8.454 ( 0.764 1.361 2.834) 3.235 8.794 ( 0.023 2.468 3.312) 4.130 8.891 ( 2.513 1.442 -2.771) 4.009 9.052 ( -2.079 -1.934 4.366) 5.208 9.206 ( 1.488 -3.920 -2.758) 5.018 ======================= Grid point 345 (182/205) ======================= q-point: ( 0.33 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 15.967 5.913 -14.774) 22.543 3.012 ( 7.953 5.309 -16.268) 18.870 3.142 ( -8.779 3.205 3.865) 10.113 3.214 ( 3.076 10.889 9.022) 14.472 3.325 ( -12.018 -1.055 2.037) 12.235 3.673 ( 6.510 6.124 8.498) 12.333 3.987 ( 2.039 2.301 -0.979) 3.226 4.111 ( 5.169 5.016 -5.001) 8.768 4.363 ( 6.894 -5.476 3.344) 9.418 4.384 ( 1.344 2.221 2.915) 3.904 4.690 ( -2.914 -8.366 5.889) 10.637 4.784 ( 2.482 1.179 3.386) 4.361 4.984 ( 1.105 -4.285 -1.002) 4.537 5.098 ( -2.547 -5.431 5.129) 7.892 5.123 ( -0.806 0.538 1.186) 1.531 5.357 ( 1.249 4.444 0.262) 4.623 5.758 ( -3.872 0.306 -5.506) 6.738 5.827 ( -7.794 -2.613 -7.476) 11.111 6.263 ( -6.282 -0.370 -1.239) 6.414 6.325 ( -2.009 -3.619 -6.281) 7.523 6.782 ( -1.122 -0.208 -3.298) 3.490 6.814 ( -1.778 -0.879 -1.724) 2.628 6.928 ( 3.044 1.712 4.126) 5.406 7.029 ( 3.435 -1.093 0.119) 3.607 7.278 ( -4.218 1.622 0.533) 4.550 7.367 ( -2.372 2.574 -5.827) 6.798 7.604 ( -0.318 1.665 -0.417) 1.746 7.639 ( 0.356 2.680 -0.196) 2.710 8.036 ( 1.065 3.820 1.565) 4.263 8.211 ( -1.395 0.100 -2.463) 2.833 8.421 ( 3.938 1.229 0.982) 4.240 8.478 ( -0.266 1.056 2.449) 2.681 8.826 ( 0.490 2.753 3.275) 4.306 8.911 ( 1.957 1.881 -2.628) 3.778 9.060 ( -0.948 -2.059 4.541) 5.075 9.204 ( 0.672 -3.720 -2.780) 4.692 ======================= Grid point 346 (183/205) ======================= q-point: ( 0.44 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 10.482 2.776 -12.112) 16.257 2.872 ( -14.623 2.719 2.755) 15.126 3.084 ( -17.703 0.154 8.630) 19.696 3.103 ( 13.450 -0.207 -13.986) 19.405 3.439 ( 7.657 11.815 11.402) 18.117 3.771 ( -1.618 6.834 -1.817) 7.255 4.028 ( -0.491 5.154 7.785) 9.349 4.186 ( 5.835 4.734 -5.262) 9.173 4.441 ( 1.311 2.076 6.410) 6.864 4.509 ( 5.329 -4.035 2.241) 7.050 4.655 ( -4.491 -9.097 3.442) 10.713 4.785 ( -0.391 -4.882 -5.675) 7.496 5.011 ( -0.345 -4.039 -0.096) 4.055 5.032 ( -1.282 -3.789 0.625) 4.048 5.197 ( 1.672 6.014 7.368) 9.656 5.351 ( 0.393 4.651 -4.417) 6.426 5.679 ( -3.070 -1.888 -2.737) 4.526 5.690 ( -1.016 -0.398 -2.261) 2.511 6.170 ( -2.907 -0.579 0.069) 2.965 6.247 ( -0.784 -3.313 -6.337) 7.194 6.730 ( -1.584 -1.627 -2.285) 3.222 6.753 ( -1.607 -1.531 -3.796) 4.397 7.006 ( 2.186 3.338 3.369) 5.222 7.078 ( 1.185 1.526 -0.124) 1.936 7.229 ( -2.110 0.219 1.564) 2.636 7.290 ( -1.156 1.007 -4.586) 4.835 7.603 ( -0.784 2.199 1.890) 3.004 7.641 ( 1.094 2.775 -1.991) 3.586 8.074 ( 1.379 2.485 2.108) 3.538 8.165 ( -1.627 0.555 -2.299) 2.871 8.472 ( -0.232 0.792 2.244) 2.391 8.492 ( 1.261 0.401 0.145) 1.331 8.856 ( -0.147 2.916 3.149) 4.295 8.919 ( 0.962 2.230 -2.388) 3.406 9.086 ( 0.019 -2.310 4.166) 4.764 9.188 ( 0.354 -3.386 -3.323) 4.757 ======================= Grid point 347 (184/205) ======================= q-point: (-0.44 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -15.168 4.813 8.674) 18.124 2.833 ( -18.024 2.965 12.990) 22.414 2.954 ( 9.274 -0.560 -5.858) 10.984 3.277 ( 14.346 -3.331 -10.065) 17.839 3.606 ( -3.520 8.102 1.854) 9.026 3.680 ( 2.525 10.232 -1.445) 10.638 4.021 ( -8.683 8.267 10.688) 16.061 4.188 ( -1.769 3.653 -6.472) 7.639 4.482 ( -4.819 0.101 5.128) 7.038 4.524 ( -4.003 0.882 -0.800) 4.176 4.636 ( -0.326 -6.947 7.598) 10.300 4.769 ( 5.610 -8.655 -7.257) 12.611 4.927 ( -5.302 -4.320 4.071) 7.959 5.134 ( 8.923 -3.653 -5.320) 11.012 5.268 ( 1.667 5.069 3.632) 6.455 5.319 ( 0.859 2.757 -5.212) 5.959 5.660 ( 0.558 -0.631 0.497) 0.978 5.673 ( 0.808 -0.179 -1.019) 1.313 6.160 ( 0.628 -1.347 2.425) 2.845 6.211 ( 1.848 -2.443 -4.389) 5.352 6.700 ( -0.439 -2.050 0.237) 2.110 6.728 ( 1.588 -1.832 -1.439) 2.819 7.054 ( 0.137 2.924 1.534) 3.305 7.066 ( -0.937 3.063 -1.711) 3.631 7.219 ( -0.624 0.159 2.521) 2.602 7.263 ( 1.022 0.419 -2.055) 2.333 7.595 ( -1.689 2.556 1.865) 3.587 7.655 ( 2.201 2.543 -2.464) 4.168 8.103 ( -1.430 1.649 0.815) 2.330 8.127 ( 0.492 1.316 -0.097) 1.408 8.462 ( -2.513 0.998 2.307) 3.555 8.513 ( 1.068 0.308 -1.004) 1.498 8.867 ( -1.339 2.944 3.025) 4.428 8.909 ( -0.052 2.323 -2.312) 3.278 9.121 ( 0.324 -2.777 3.540) 4.511 9.168 ( 0.764 -3.183 -4.143) 5.280 ======================= Grid point 348 (185/205) ======================= q-point: (-0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -17.720 7.853 13.083) 23.384 2.664 ( -13.040 6.463 17.773) 22.972 3.118 ( 10.173 -3.396 2.072) 10.923 3.414 ( -2.474 6.713 -7.701) 10.512 3.451 ( 4.603 -2.209 -8.730) 10.113 3.734 ( -3.979 7.920 2.296) 9.156 3.916 ( -10.518 12.231 9.428) 18.684 4.047 ( -5.497 3.711 -2.612) 7.128 4.384 ( -5.724 -1.019 0.920) 5.886 4.429 ( -6.187 0.533 0.151) 6.212 4.700 ( -0.787 -2.959 8.026) 8.591 4.835 ( 6.697 -9.271 -7.459) 13.654 4.915 ( 0.646 -5.627 2.345) 6.131 5.191 ( 2.894 -5.677 -7.127) 9.560 5.286 ( -0.170 4.966 -4.476) 6.687 5.358 ( 5.105 1.881 -1.715) 5.704 5.687 ( 1.502 -0.092 1.663) 2.243 5.719 ( 4.568 -2.021 2.962) 5.807 6.220 ( 2.812 -1.761 4.111) 5.283 6.258 ( 5.707 -2.083 -1.015) 6.159 6.721 ( 1.273 -1.579 2.290) 3.059 6.779 ( 3.505 -2.045 1.084) 4.200 7.010 ( -2.173 2.577 -3.818) 5.093 7.038 ( -2.888 0.641 -0.313) 2.975 7.250 ( 0.573 1.480 4.520) 4.790 7.295 ( 3.604 2.135 -0.025) 4.189 7.576 ( -1.659 2.859 1.513) 3.635 7.674 ( 1.872 2.142 -2.623) 3.869 8.061 ( -1.813 2.797 -0.881) 3.448 8.159 ( 0.895 0.927 2.633) 2.931 8.415 ( -4.318 1.832 1.561) 4.944 8.515 ( 0.083 0.778 -1.274) 1.495 8.855 ( -2.434 2.734 2.959) 4.707 8.883 ( -0.625 2.238 -2.355) 3.308 9.148 ( -0.122 -3.354 2.721) 4.321 9.154 ( 1.601 -3.152 -4.843) 5.996 ======================= Grid point 349 (186/205) ======================= q-point: (-0.22 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -15.104 12.077 16.060) 25.138 2.612 ( -9.588 10.845 20.093) 24.764 3.220 ( -5.733 12.032 -11.309) 17.480 3.328 ( 1.681 -1.247 0.618) 2.183 3.397 ( -3.798 2.539 -1.490) 4.805 3.676 ( 0.766 -6.703 2.773) 7.294 3.823 ( -5.030 14.757 10.338) 18.707 4.016 ( -1.431 3.252 3.112) 4.723 4.277 ( -5.916 -8.079 -2.276) 10.269 4.353 ( -1.555 4.570 1.234) 4.983 4.714 ( -2.939 -0.170 3.847) 4.844 4.871 ( 3.732 -8.213 -9.543) 13.132 4.957 ( 1.787 -4.811 1.422) 5.326 5.173 ( 0.575 -4.906 -4.926) 6.976 5.215 ( -0.923 1.298 -8.203) 8.356 5.379 ( 0.357 -1.527 -6.919) 7.094 5.779 ( 5.887 0.858 6.175) 8.575 5.882 ( 7.392 -2.633 7.459) 10.826 6.318 ( 3.747 -1.859 4.611) 6.226 6.390 ( 8.203 -2.509 0.424) 8.589 6.762 ( 0.692 -0.667 1.972) 2.194 6.844 ( 2.094 -1.004 0.190) 2.330 6.919 ( -3.886 0.784 -4.459) 5.966 6.972 ( -2.748 -0.790 -1.425) 3.194 7.315 ( 2.387 2.016 6.015) 6.778 7.382 ( 4.555 3.199 1.693) 5.818 7.558 ( -1.652 3.231 1.686) 4.001 7.680 ( 0.984 1.622 -2.804) 3.386 8.035 ( -0.349 4.074 -0.483) 4.118 8.199 ( 1.069 0.939 3.309) 3.602 8.328 ( -6.099 3.120 0.913) 6.912 8.496 ( -1.078 1.130 -1.435) 2.121 8.829 ( -2.781 2.377 2.880) 4.655 8.855 ( -0.328 2.001 -2.289) 3.057 9.151 ( 2.234 -3.163 -5.143) 6.438 9.156 ( -1.127 -3.615 2.022) 4.293 ======================= Grid point 350 (187/205) ======================= q-point: (-0.11 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -4.439 15.782 17.381) 23.893 2.614 ( -6.938 15.334 19.017) 25.396 2.966 ( -14.221 10.557 -11.343) 21.032 3.091 ( -2.576 15.855 -14.250) 21.473 3.602 ( 7.028 -5.034 12.596) 15.277 3.749 ( 2.770 -8.231 6.670) 10.951 3.900 ( -0.429 6.397 14.751) 16.084 3.986 ( -3.256 2.583 2.594) 4.900 4.169 ( -2.626 -9.419 -3.500) 10.386 4.371 ( 1.813 4.216 1.895) 4.965 4.650 ( -5.104 2.993 -0.917) 5.988 4.786 ( -2.867 -3.011 -14.912) 15.481 4.995 ( 1.025 -4.463 1.603) 4.851 5.139 ( 0.977 -1.061 -4.456) 4.684 5.172 ( 1.192 -7.271 -4.882) 8.839 5.295 ( -2.036 -5.710 -7.788) 9.869 5.976 ( 8.464 1.229 8.003) 11.714 6.068 ( 5.552 -1.743 8.102) 9.976 6.412 ( 2.670 -1.460 3.111) 4.352 6.528 ( 5.803 -3.064 -1.786) 6.801 6.745 ( -2.681 1.263 -2.248) 3.720 6.791 ( -3.437 1.050 -3.925) 5.322 6.886 ( 0.718 -1.980 0.627) 2.198 6.937 ( -0.313 -2.379 -0.648) 2.485 7.426 ( 3.789 1.244 6.339) 7.489 7.470 ( 2.839 3.255 2.269) 4.878 7.542 ( -0.892 3.712 0.756) 3.892 7.666 ( -0.119 1.247 -2.815) 3.082 8.046 ( 1.824 4.768 0.093) 5.106 8.207 ( -6.072 4.426 0.882) 7.566 8.261 ( 1.409 1.267 3.549) 4.023 8.452 ( -2.307 1.065 -1.671) 3.042 8.802 ( -2.715 2.239 3.286) 4.815 8.840 ( 0.936 1.635 -2.679) 3.275 9.137 ( -2.548 -3.497 2.287) 4.894 9.157 ( 2.847 -3.156 -5.232) 6.741 ======================= Grid point 351 (188/205) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 7.156 18.347 13.634) 23.952 2.948 ( -6.234 14.468 -8.281) 17.798 3.023 ( -1.001 15.977 11.933) 19.967 3.287 ( 2.382 9.985 -11.761) 15.611 3.561 ( 3.872 -13.571 12.585) 18.909 3.731 ( 4.964 -6.866 7.575) 11.365 3.760 ( -5.794 -9.474 -5.641) 12.456 3.880 ( -3.441 -4.621 -8.384) 10.173 4.305 ( 3.119 9.450 14.845) 17.872 4.513 ( -0.667 2.502 8.651) 9.030 4.564 ( -5.349 0.910 -11.129) 12.382 4.662 ( -2.109 3.018 -5.717) 6.800 4.891 ( -1.638 -5.526 6.728) 8.859 5.004 ( -0.237 -6.576 0.450) 6.596 5.082 ( -0.745 -3.804 -6.864) 7.883 5.107 ( 2.170 -2.284 -7.466) 8.103 6.173 ( 2.747 -0.375 4.723) 5.477 6.174 ( 4.089 -0.512 4.945) 6.438 6.444 ( 0.069 0.288 -0.369) 0.473 6.484 ( -0.936 -1.593 -4.257) 4.641 6.713 ( -2.107 0.764 -0.177) 2.248 6.735 ( 0.389 -0.062 -1.957) 1.997 6.874 ( 0.095 -0.815 0.292) 0.871 6.895 ( 1.622 -1.723 -1.825) 2.988 7.528 ( -1.692 1.573 5.024) 5.530 7.551 ( -0.356 0.304 5.922) 5.941 7.621 ( 2.546 2.479 -4.163) 5.474 7.655 ( 0.871 0.743 -4.484) 4.628 8.199 ( 2.767 4.443 1.674) 5.495 8.216 ( -3.570 4.825 -0.021) 6.002 8.341 ( 2.629 -0.557 3.037) 4.055 8.382 ( -3.487 -1.437 -1.106) 3.931 8.836 ( -1.753 2.805 2.473) 4.130 8.878 ( 1.095 1.442 -1.497) 2.349 9.049 ( -1.727 -1.980 1.227) 2.900 9.099 ( 2.185 -3.521 -3.649) 5.522 ======================= Grid point 352 (189/205) ======================= q-point: ( 0.11 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 0.860 16.155 -12.147) 20.231 2.991 ( 11.453 14.155 11.856) 21.727 3.139 ( 1.922 12.703 12.289) 17.779 3.246 ( 4.515 11.215 -15.195) 19.418 3.627 ( -3.699 -8.747 -4.395) 10.465 3.715 ( -3.949 -7.608 -7.926) 11.675 3.739 ( 3.206 -9.589 7.062) 12.333 3.895 ( 5.675 -6.119 7.409) 11.160 4.358 ( -6.544 5.166 -9.054) 12.307 4.471 ( -3.766 5.251 10.211) 12.084 4.494 ( 0.676 5.181 7.187) 8.885 4.657 ( 2.135 -1.985 1.299) 3.192 4.917 ( -0.905 -2.489 7.248) 7.717 5.008 ( -2.007 -2.414 -5.011) 5.913 5.059 ( 3.224 -6.760 0.726) 7.524 5.128 ( 5.301 -3.790 -2.459) 6.965 6.136 ( -5.847 0.608 -5.249) 7.881 6.172 ( -4.339 -1.482 -5.152) 6.897 6.416 ( -1.869 0.466 0.382) 1.964 6.462 ( -1.052 -1.581 -0.654) 2.008 6.717 ( 2.192 1.687 3.090) 4.147 6.763 ( 2.736 -0.592 0.249) 2.811 6.868 ( -0.378 -0.451 -0.966) 1.131 6.911 ( 1.749 -2.074 -2.471) 3.669 7.493 ( -4.576 2.092 2.777) 5.747 7.561 ( -2.600 -0.975 0.528) 2.826 7.622 ( 1.168 2.274 -1.550) 2.990 7.663 ( 2.685 1.429 -3.934) 4.973 8.155 ( -2.506 5.264 0.022) 5.830 8.277 ( 2.731 2.031 0.976) 3.541 8.316 ( -1.760 0.296 -0.425) 1.835 8.411 ( 2.164 -0.908 3.012) 3.818 8.833 ( -0.670 2.929 2.553) 3.943 8.894 ( 1.623 1.025 -0.961) 2.146 9.029 ( -1.422 -1.090 1.450) 2.305 9.112 ( 1.918 -3.895 -2.881) 5.211 ======================= Grid point 353 (190/205) ======================= q-point: ( 0.22 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 7.792 13.757 -12.624) 20.232 3.189 ( 3.483 6.319 -16.476) 17.987 3.252 ( -0.419 2.927 5.719) 6.438 3.271 ( 8.161 13.318 10.657) 18.909 3.479 ( -7.086 -8.342 -15.809) 19.228 3.618 ( 2.951 3.878 5.883) 7.639 3.890 ( 3.852 -7.376 7.363) 11.111 4.054 ( 5.511 -5.093 6.491) 9.922 4.231 ( -0.395 7.368 -4.316) 8.548 4.439 ( -1.789 4.511 4.208) 6.424 4.566 ( -1.670 -3.050 4.456) 5.652 4.717 ( 1.615 -3.714 3.179) 5.149 4.931 ( -1.611 -2.054 -4.848) 5.506 4.990 ( 1.412 0.757 7.210) 7.386 5.082 ( 0.494 -2.721 3.515) 4.473 5.275 ( 7.584 -2.647 4.126) 9.031 5.945 ( -7.566 0.942 -8.608) 11.499 5.994 ( -7.766 -1.927 -8.885) 11.957 6.363 ( -3.484 -0.131 -2.154) 4.098 6.387 ( -4.865 -0.903 -3.065) 5.820 6.799 ( 2.019 0.426 0.161) 2.070 6.828 ( 0.775 -1.657 0.605) 1.927 6.856 ( 2.564 2.137 1.817) 3.800 6.932 ( 2.802 -1.966 -0.719) 3.498 7.412 ( -5.340 2.156 0.042) 5.759 7.489 ( -3.458 -0.470 -3.523) 4.959 7.632 ( 0.078 1.609 0.477) 1.680 7.675 ( 1.495 1.197 -2.615) 3.241 8.124 ( -1.015 4.724 0.115) 4.833 8.245 ( -1.970 -1.319 -1.644) 2.885 8.376 ( 3.555 2.628 2.026) 4.863 8.462 ( 0.810 -0.702 2.809) 3.007 8.853 ( 0.546 3.058 2.638) 4.075 8.922 ( 2.076 1.067 -0.559) 2.400 9.020 ( -1.004 -0.656 1.763) 2.132 9.122 ( 1.378 -4.053 -2.409) 4.912 ======================= Grid point 354 (191/205) ======================= q-point: ( 0.33 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 10.043 9.200 -12.331) 18.373 3.103 ( 1.675 3.171 -14.837) 15.264 3.164 ( -10.147 0.625 -2.849) 10.558 3.249 ( -6.826 -6.169 -4.768) 10.363 3.488 ( 7.258 13.303 9.753) 18.022 3.811 ( 7.981 5.974 9.485) 13.760 3.983 ( 2.127 -2.907 3.067) 4.731 4.178 ( 3.247 -2.165 3.217) 5.057 4.283 ( 7.068 2.141 -0.390) 7.396 4.463 ( -0.659 5.068 5.689) 7.647 4.537 ( -3.101 -6.226 1.600) 7.137 4.733 ( -1.481 -5.833 0.070) 6.019 4.895 ( 2.099 -2.519 -3.763) 4.991 4.999 ( -1.350 -4.728 -0.775) 4.978 5.212 ( 3.624 7.334 13.094) 15.439 5.417 ( 3.830 0.530 2.613) 4.667 5.759 ( -5.123 -0.091 -6.733) 8.461 5.784 ( -6.971 -1.531 -8.005) 10.725 6.257 ( -5.376 -0.144 -2.875) 6.098 6.274 ( -3.207 -1.367 -5.282) 6.329 6.773 ( -1.895 -0.419 -3.651) 4.134 6.790 ( -1.588 -1.124 -3.557) 4.054 6.970 ( 4.106 1.891 4.627) 6.469 7.012 ( 4.450 -0.607 2.010) 4.921 7.312 ( -4.799 1.788 -0.635) 5.160 7.388 ( -3.733 -0.696 -4.733) 6.068 7.635 ( -0.229 1.677 0.945) 1.938 7.678 ( 0.680 0.791 -1.677) 1.975 8.118 ( 0.024 3.709 0.460) 3.737 8.204 ( -1.232 -0.718 -1.529) 2.091 8.445 ( 2.336 1.110 1.487) 2.983 8.486 ( -0.327 -0.354 2.398) 2.446 8.889 ( 0.912 3.152 2.684) 4.239 8.957 ( 2.058 1.980 -0.905) 2.996 9.021 ( -0.626 -1.259 2.402) 2.784 9.123 ( 0.838 -3.921 -2.359) 4.652 ======================= Grid point 355 (192/205) ======================= q-point: ( 0.44 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 3.494 2.694 -9.680) 10.638 2.925 ( -9.820 2.135 -2.739) 10.416 3.093 ( -6.601 0.549 2.202) 6.980 3.106 ( 3.214 0.203 -6.326) 7.098 3.690 ( 6.474 12.160 8.769) 16.330 3.929 ( -0.967 8.307 -0.352) 8.371 4.073 ( 4.303 -2.242 6.713) 8.283 4.231 ( 1.251 -1.947 -0.573) 2.384 4.414 ( 6.210 -2.485 -0.271) 6.694 4.472 ( -3.966 -4.189 6.227) 8.488 4.516 ( 1.004 1.121 0.494) 1.584 4.676 ( -3.160 -5.253 -2.644) 6.676 4.950 ( 4.661 -1.804 -1.204) 5.141 4.969 ( -2.058 -2.227 2.569) 3.974 5.333 ( 0.897 6.216 4.337) 7.632 5.423 ( -1.948 1.933 -3.726) 4.628 5.657 ( -1.569 -0.051 -1.015) 1.869 5.688 ( -0.611 -0.096 -0.300) 0.687 6.159 ( -2.582 -0.303 -2.053) 3.313 6.191 ( -1.143 -2.032 -5.017) 5.533 6.708 ( -2.022 -0.480 -2.581) 3.314 6.727 ( -1.358 -1.068 -4.266) 4.603 7.063 ( 2.406 2.084 3.383) 4.645 7.095 ( 2.514 0.334 1.446) 2.919 7.239 ( -2.744 0.847 0.278) 2.885 7.294 ( -2.007 -0.783 -4.448) 4.942 7.639 ( -0.439 1.533 1.594) 2.255 7.676 ( 0.790 0.536 -1.902) 2.128 8.128 ( 0.409 2.485 0.979) 2.702 8.173 ( -1.042 0.193 -1.233) 1.626 8.483 ( 0.189 0.269 1.591) 1.625 8.494 ( 0.281 -0.231 0.903) 0.974 8.921 ( 0.212 3.227 2.574) 4.134 8.974 ( 0.817 2.935 -1.635) 3.458 9.038 ( 0.076 -2.298 3.004) 3.783 9.115 ( 0.438 -3.585 -2.653) 4.481 ======================= Grid point 356 (193/205) ======================= q-point: (-0.44 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -10.089 5.401 5.742) 12.803 2.919 ( -0.242 -0.270 0.297) 0.469 2.937 ( -8.126 4.042 5.794) 10.768 3.190 ( 6.615 -5.046 -4.440) 9.430 3.792 ( -4.889 9.736 1.855) 11.051 3.898 ( 4.245 10.451 -1.566) 11.388 4.142 ( -2.684 0.575 4.022) 4.869 4.210 ( -2.439 -1.077 -2.367) 3.566 4.426 ( -3.193 -4.661 -0.858) 5.714 4.492 ( 1.315 -2.969 0.785) 3.341 4.571 ( 0.833 -0.446 6.965) 7.029 4.616 ( 2.342 -4.391 -5.367) 7.319 4.896 ( -6.267 1.514 3.118) 7.162 5.056 ( 5.403 -4.057 -3.836) 7.770 5.347 ( 0.011 2.437 1.378) 2.799 5.374 ( 0.815 1.977 -1.053) 2.383 5.662 ( -0.848 1.087 1.709) 2.196 5.683 ( 0.109 0.737 -0.082) 0.749 6.140 ( 1.342 -0.524 0.087) 1.443 6.166 ( 2.187 -1.748 -3.183) 4.239 6.676 ( -0.216 -0.454 0.265) 0.568 6.698 ( 1.099 -1.200 -1.472) 2.194 7.095 ( -1.390 1.209 1.203) 2.200 7.107 ( -1.640 0.962 -0.387) 1.940 7.229 ( 1.055 0.805 1.476) 1.985 7.267 ( 2.242 -0.257 -2.357) 3.264 7.638 ( -0.971 1.749 1.433) 2.461 7.682 ( 1.486 0.122 -2.102) 2.577 8.140 ( -0.759 1.667 0.627) 1.936 8.151 ( 0.089 0.971 0.136) 0.985 8.480 ( -1.396 0.751 1.420) 2.129 8.511 ( 0.893 -0.541 -0.322) 1.092 8.934 ( -1.062 3.350 2.438) 4.277 8.964 ( -0.312 2.947 -1.816) 3.475 9.062 ( -0.011 -2.823 2.732) 3.928 9.100 ( 0.505 -3.348 -3.234) 4.682 ======================= Grid point 357 (194/205) ======================= q-point: (-0.33 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -11.309 10.839 11.467) 19.414 2.828 ( -7.760 9.234 13.108) 17.813 3.016 ( 4.486 -6.586 6.889) 10.533 3.261 ( 3.382 -10.421 -0.852) 10.989 3.645 ( -6.989 10.962 -5.705) 14.197 3.943 ( -2.481 10.784 -3.366) 11.566 4.045 ( -4.032 -4.429 -4.342) 7.398 4.152 ( -3.364 8.026 4.292) 9.704 4.307 ( -8.394 -1.776 -0.886) 8.625 4.481 ( -2.957 -0.500 0.384) 3.023 4.648 ( 1.354 -2.198 7.496) 7.928 4.675 ( 7.233 -4.445 -7.295) 11.194 4.830 ( -2.195 -0.899 2.056) 3.139 5.059 ( 0.591 -7.109 -6.356) 9.554 5.382 ( -0.000 3.509 -2.631) 4.385 5.403 ( 1.043 2.163 2.840) 3.719 5.673 ( 2.030 -0.829 2.656) 3.445 5.686 ( 1.385 -1.155 1.181) 2.156 6.200 ( 3.887 -0.180 2.136) 4.439 6.224 ( 5.389 -1.249 -0.073) 5.533 6.703 ( 1.586 -0.203 2.676) 3.117 6.741 ( 3.110 -1.708 1.254) 3.763 7.045 ( -3.045 0.566 -2.122) 3.754 7.046 ( -3.923 0.534 -1.712) 4.314 7.280 ( 2.264 1.623 2.890) 4.014 7.326 ( 4.462 0.515 0.577) 4.529 7.630 ( -0.834 2.334 0.876) 2.629 7.692 ( 1.296 -0.264 -2.225) 2.589 8.122 ( -0.774 2.695 0.047) 2.804 8.170 ( 0.630 0.162 1.846) 1.958 8.454 ( -2.472 1.863 0.655) 3.164 8.517 ( 0.108 -0.654 -0.759) 1.008 8.919 ( -2.434 3.222 2.071) 4.538 8.937 ( -1.107 2.811 -1.621) 3.428 9.077 ( -0.330 -3.330 1.711) 3.758 9.088 ( 1.229 -3.133 -3.418) 4.797 ======================= Grid point 358 (195/205) ======================= q-point: (-0.22 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -8.896 16.485 13.603) 23.150 2.845 ( -4.257 11.462 17.325) 21.205 3.183 ( 4.176 -11.201 13.850) 18.295 3.306 ( 1.424 -10.462 0.478) 10.570 3.465 ( -6.657 11.778 -8.269) 15.856 3.747 ( -8.793 8.647 -7.143) 14.252 4.005 ( -0.191 -3.357 -4.034) 5.252 4.117 ( -4.953 3.939 0.993) 6.406 4.154 ( -6.331 5.151 2.757) 8.614 4.426 ( -2.875 0.868 2.766) 4.083 4.713 ( 0.199 -2.645 3.778) 4.617 4.729 ( 5.537 -1.832 -9.137) 10.840 4.841 ( 0.359 -4.498 3.197) 5.530 5.026 ( 0.897 -7.545 -4.183) 8.673 5.292 ( -4.587 3.525 -6.383) 8.614 5.356 ( -4.360 -0.788 -6.469) 7.841 5.785 ( 6.682 0.020 7.125) 9.768 5.826 ( 7.555 -2.423 7.565) 10.963 6.303 ( 4.757 0.268 3.028) 5.645 6.348 ( 6.872 -1.642 1.550) 7.233 6.756 ( 1.242 0.146 2.752) 3.023 6.808 ( 2.725 -2.049 1.095) 3.581 6.939 ( -5.039 0.888 -3.976) 6.480 6.962 ( -3.436 -0.356 -3.064) 4.618 7.359 ( 3.086 2.334 4.793) 6.160 7.422 ( 4.224 0.479 2.664) 5.017 7.622 ( -0.630 2.819 0.370) 2.912 7.692 ( 0.780 -0.289 -2.659) 2.786 8.119 ( 0.255 3.688 0.584) 3.743 8.204 ( 1.320 -0.473 2.486) 2.854 8.396 ( -4.092 3.350 0.078) 5.288 8.499 ( -1.384 -0.903 -0.979) 1.921 8.885 ( -2.545 2.852 1.610) 4.147 8.903 ( -1.212 2.445 -1.205) 2.983 9.078 ( -0.133 -3.261 -0.047) 3.264 9.089 ( 1.157 -3.019 -2.652) 4.181 ======================= Grid point 359 (196/205) ======================= q-point: (-0.11 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -1.229 19.437 14.256) 24.136 2.919 ( -2.861 13.583 17.323) 22.199 3.201 ( -9.737 10.541 -8.567) 16.713 3.322 ( 0.748 -5.041 0.620) 5.134 3.402 ( 3.579 -4.414 7.733) 9.597 3.628 ( 0.250 0.492 0.896) 1.052 3.915 ( -4.814 -10.032 -7.212) 13.260 3.996 ( -4.852 -1.024 -3.010) 5.801 4.167 ( 0.472 11.555 10.204) 15.423 4.440 ( 0.854 0.973 5.147) 5.308 4.696 ( -1.605 -2.650 -5.454) 6.273 4.732 ( 0.840 2.499 -6.007) 6.560 4.869 ( -0.791 -6.279 4.606) 7.828 5.022 ( 0.397 -6.194 -1.468) 6.378 5.155 ( -4.567 0.584 -4.602) 6.510 5.202 ( -2.998 -2.617 -11.711) 12.369 5.991 ( 8.154 0.340 8.333) 11.663 6.027 ( 6.808 -1.856 8.262) 10.865 6.404 ( 3.628 0.553 1.664) 4.030 6.471 ( 4.894 -2.404 -0.125) 5.454 6.764 ( -1.961 0.792 -0.605) 2.199 6.804 ( -4.227 -0.163 -3.971) 5.802 6.858 ( 1.136 -0.377 -0.197) 1.213 6.897 ( -0.985 -1.571 -1.446) 2.351 7.459 ( 2.846 1.923 5.788) 6.730 7.509 ( 1.869 0.504 4.316) 4.730 7.613 ( 0.308 3.065 -1.361) 3.368 7.679 ( 0.342 -0.021 -3.351) 3.368 8.144 ( 1.705 4.357 1.160) 4.820 8.255 ( 1.369 -0.559 2.617) 3.006 8.315 ( -3.951 4.386 0.238) 5.908 8.451 ( -2.925 -1.305 -1.024) 3.363 8.856 ( -2.281 2.729 2.194) 4.180 8.880 ( 0.019 1.950 -1.630) 2.542 9.069 ( -1.366 -2.793 1.100) 3.298 9.090 ( 2.027 -3.130 -4.105) 5.545 ======================= Grid point 360 (197/205) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 3.034 -12.027 9.523) 15.638 3.056 ( 3.034 12.027 9.523) 15.638 3.255 ( -1.522 -6.107 -0.458) 6.311 3.255 ( -1.522 6.107 -0.458) 6.311 3.498 ( 2.116 -7.985 3.685) 9.045 3.498 ( 2.116 7.985 3.685) 9.045 3.772 ( -2.755 -6.240 -7.263) 9.963 3.772 ( -2.755 6.240 -7.263) 9.963 4.472 ( 3.275 -5.936 6.960) 9.716 4.472 ( 3.275 5.936 6.960) 9.716 4.622 ( -4.455 -4.665 -4.707) 7.985 4.622 ( -4.455 4.665 -4.707) 7.985 4.897 ( -1.241 -4.336 5.057) 6.776 4.897 ( -1.241 4.336 5.057) 6.776 5.058 ( -0.460 -1.600 -7.128) 7.320 5.058 ( -0.460 1.600 -7.128) 7.320 6.168 ( 3.569 -0.120 4.734) 5.930 6.168 ( 3.569 0.120 4.734) 5.930 6.457 ( -0.143 -0.986 -2.417) 2.614 6.457 ( -0.143 0.986 -2.417) 2.614 6.729 ( -1.023 -0.600 -1.002) 1.553 6.729 ( -1.023 0.600 -1.002) 1.553 6.871 ( 0.918 -0.552 -0.903) 1.401 6.871 ( 0.918 0.552 -0.903) 1.401 7.550 ( -1.378 -0.533 5.652) 5.842 7.550 ( -1.378 0.533 5.652) 5.842 7.655 ( 1.986 -0.793 -4.569) 5.044 7.655 ( 1.986 0.793 -4.569) 5.044 8.268 ( 1.069 -1.330 1.479) 2.259 8.268 ( 1.069 1.330 1.479) 2.259 8.339 ( -1.972 -1.874 0.397) 2.750 8.339 ( -1.972 1.874 0.397) 2.750 8.884 ( -0.809 -1.296 1.124) 1.896 8.884 ( -0.809 1.296 1.124) 1.896 9.042 ( 0.774 -1.569 -1.927) 2.603 9.042 ( 0.774 1.569 -1.927) 2.603 ======================= Grid point 362 (198/205) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -0.112 -10.489 -4.003) 11.227 3.109 ( -0.112 10.489 -4.003) 11.227 3.301 ( 6.168 -8.462 4.164) 11.269 3.301 ( 6.168 8.462 4.164) 11.269 3.533 ( -0.382 -3.928 -6.369) 7.493 3.533 ( -0.382 3.928 -6.369) 7.493 3.754 ( 3.235 -5.804 5.747) 8.785 3.754 ( 3.235 5.804 5.747) 8.785 4.478 ( -4.132 -6.117 -5.219) 9.041 4.478 ( -4.132 6.117 -5.219) 9.041 4.576 ( -0.306 -3.805 7.250) 8.194 4.576 ( -0.306 3.805 7.250) 8.194 4.955 ( 1.780 -2.957 4.652) 5.792 4.955 ( 1.780 2.957 4.652) 5.792 5.026 ( 1.920 -4.983 -1.277) 5.490 5.026 ( 1.920 4.983 -1.277) 5.490 6.149 ( -4.986 -0.816 -5.463) 7.441 6.149 ( -4.986 0.816 -5.463) 7.441 6.434 ( -1.224 -1.183 -0.495) 1.773 6.434 ( -1.224 1.183 -0.495) 1.773 6.746 ( 2.426 -1.099 1.773) 3.200 6.746 ( 2.426 1.099 1.773) 3.200 6.877 ( 0.844 -1.179 -1.830) 2.335 6.877 ( 0.844 1.179 -1.830) 2.335 7.531 ( -3.909 -1.639 2.542) 4.942 7.531 ( -3.909 1.639 2.542) 4.942 7.664 ( 2.104 -1.236 -3.522) 4.284 7.664 ( 2.104 1.236 -3.522) 4.284 8.245 ( -2.348 -3.402 -0.623) 4.180 8.245 ( -2.348 3.402 -0.623) 4.180 8.369 ( 2.307 -2.968 2.547) 4.541 8.369 ( 2.307 2.968 2.547) 4.541 8.886 ( -0.025 -1.845 1.642) 2.470 8.886 ( -0.025 1.845 1.642) 2.470 9.043 ( 0.908 -2.409 -1.687) 3.078 9.043 ( 0.908 2.409 -1.687) 3.078 ======================= Grid point 364 (199/205) ======================= q-point: ( 0.22 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 2.254 -13.053 -7.587) 15.266 3.076 ( 2.254 13.053 -7.587) 15.266 3.341 ( -2.187 -4.598 -13.324) 14.263 3.341 ( -2.187 4.598 -13.324) 14.263 3.544 ( 5.805 -11.496 7.802) 15.057 3.544 ( 5.805 11.496 7.802) 15.057 3.907 ( 5.215 -7.933 8.951) 13.048 3.907 ( 5.215 7.933 8.951) 13.048 4.403 ( -0.274 -8.078 -2.818) 8.560 4.403 ( -0.274 8.078 -2.818) 8.560 4.598 ( -2.684 -5.987 6.263) 9.071 4.598 ( -2.684 5.987 6.263) 9.071 4.942 ( -0.351 -3.004 -5.120) 5.947 4.942 ( -0.351 3.004 -5.120) 5.947 5.171 ( 6.273 -7.042 10.804) 14.341 5.171 ( 6.273 7.042 10.804) 14.341 5.964 ( -7.476 -1.073 -9.261) 11.950 5.964 ( -7.476 1.073 -9.261) 11.950 6.371 ( -4.108 -0.718 -2.852) 5.052 6.371 ( -4.108 0.718 -2.852) 5.052 6.806 ( 1.016 -0.517 -0.301) 1.179 6.806 ( 1.016 0.517 -0.301) 1.179 6.895 ( 3.253 -1.724 1.129) 3.851 6.895 ( 3.253 1.724 1.129) 3.851 7.456 ( -4.777 -2.123 -0.846) 5.296 7.456 ( -4.777 2.123 -0.846) 5.296 7.671 ( 0.888 -1.476 -1.812) 2.500 7.671 ( 0.888 1.476 -1.812) 2.500 8.202 ( -1.521 -2.912 -0.809) 3.384 8.202 ( -1.521 2.912 -0.809) 3.384 8.428 ( 1.716 -2.309 2.595) 3.874 8.428 ( 1.716 2.309 2.595) 3.874 8.909 ( 0.901 -2.128 2.109) 3.129 8.909 ( 0.901 2.128 2.109) 3.129 9.047 ( 0.816 -2.961 -1.543) 3.437 9.047 ( 0.816 2.961 -1.543) 3.437 ======================= Grid point 366 (200/205) ======================= q-point: ( 0.33 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 1.675 -8.821 -9.530) 13.093 3.059 ( 1.675 8.821 -9.530) 13.093 3.167 ( -4.355 -0.307 -8.886) 9.900 3.167 ( -4.355 0.307 -8.886) 9.900 3.740 ( 7.443 -10.687 8.297) 15.442 3.740 ( 7.443 10.687 8.297) 15.442 4.049 ( 2.971 -7.748 6.556) 10.575 4.049 ( 2.971 7.748 6.556) 10.575 4.404 ( 1.511 -6.881 -1.713) 7.250 4.404 ( 1.511 6.881 -1.713) 7.250 4.592 ( -2.542 -6.989 4.915) 8.914 4.592 ( -2.542 6.989 4.915) 8.914 4.908 ( 0.905 -3.353 -3.031) 4.609 4.908 ( 0.905 3.353 -3.031) 4.609 5.361 ( 4.899 -5.830 8.579) 11.471 5.361 ( 4.899 5.830 8.579) 11.471 5.763 ( -6.081 -0.542 -8.080) 10.127 5.763 ( -6.081 0.542 -8.080) 10.127 6.259 ( -4.491 -0.353 -4.187) 6.150 6.259 ( -4.491 0.353 -4.187) 6.150 6.773 ( -1.661 -0.473 -3.806) 4.180 6.773 ( -1.661 0.473 -3.806) 4.180 6.998 ( 4.565 -0.873 3.412) 5.765 6.998 ( 4.565 0.873 3.412) 5.765 7.353 ( -4.681 -2.140 -2.262) 5.622 7.353 ( -4.681 2.140 -2.262) 5.622 7.670 ( 0.205 -1.387 -0.778) 1.603 7.670 ( 0.205 1.387 -0.778) 1.603 8.177 ( -0.666 -2.030 -0.578) 2.213 8.177 ( -0.666 2.030 -0.578) 2.213 8.468 ( 0.634 -1.130 2.077) 2.448 8.468 ( 0.634 1.130 2.077) 2.448 8.948 ( 1.123 -2.326 2.453) 3.563 8.948 ( 1.123 2.326 2.453) 3.563 9.048 ( 0.664 -3.240 -1.674) 3.707 9.048 ( 0.664 3.240 -1.674) 3.707 ======================= Grid point 368 (201/205) ======================= q-point: ( 0.44 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -4.076 -0.468 -7.441) 8.497 2.945 ( -4.076 0.468 -7.441) 8.497 3.103 ( -0.910 -0.427 -1.100) 1.491 3.103 ( -0.910 0.427 -1.100) 1.491 3.927 ( 5.779 -10.295 6.563) 13.508 3.927 ( 5.779 10.295 6.563) 13.508 4.107 ( -0.131 -8.291 1.933) 8.515 4.107 ( -0.131 8.291 1.933) 8.515 4.414 ( 0.884 -1.420 -1.405) 2.184 4.414 ( 0.884 1.420 -1.405) 2.184 4.580 ( -1.627 -4.002 1.863) 4.705 4.580 ( -1.627 4.002 1.863) 4.705 4.939 ( 2.498 -0.601 1.218) 2.844 4.939 ( 2.498 0.601 1.218) 2.844 5.422 ( -1.885 -2.145 -1.218) 3.105 5.422 ( -1.885 2.145 -1.218) 3.105 5.673 ( -0.038 -1.217 0.969) 1.556 5.673 ( -0.038 1.217 0.969) 1.556 6.163 ( -2.055 -0.738 -3.687) 4.285 6.163 ( -2.055 0.738 -3.687) 4.285 6.709 ( -1.608 -0.557 -3.520) 3.909 6.709 ( -1.608 0.557 -3.520) 3.909 7.092 ( 2.605 -0.741 2.561) 3.727 7.092 ( 2.605 0.741 2.561) 3.727 7.265 ( -2.552 -1.612 -2.118) 3.687 7.265 ( -2.552 1.612 -2.118) 3.687 7.668 ( 0.118 -1.116 -0.377) 1.184 7.668 ( 0.118 1.116 -0.377) 1.184 8.166 ( -0.356 -1.052 -0.127) 1.117 8.166 ( -0.356 1.052 -0.127) 1.117 8.487 ( 0.134 -0.271 1.272) 1.308 8.487 ( 0.134 0.271 1.272) 1.308 8.982 ( 0.398 -2.582 2.510) 3.623 8.982 ( 0.398 2.582 2.510) 3.623 9.044 ( 0.431 -3.255 -1.933) 3.811 9.044 ( 0.431 3.255 -1.933) 3.811 ======================= Grid point 370 (202/205) ======================= q-point: (-0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -3.414 -4.403 1.873) 5.878 2.851 ( -3.414 4.403 1.873) 5.878 3.069 ( -3.289 -6.581 2.325) 7.716 3.069 ( -3.289 6.581 2.325) 7.716 3.988 ( -3.681 -7.933 0.903) 8.792 3.988 ( -3.681 7.933 0.903) 8.792 4.126 ( 2.952 -6.855 -0.501) 7.480 4.126 ( 2.952 6.855 -0.501) 7.480 4.417 ( 0.347 -3.247 -1.741) 3.700 4.417 ( 0.347 3.247 -1.741) 3.700 4.576 ( 0.268 -0.880 2.025) 2.225 4.576 ( 0.268 0.880 2.025) 2.225 4.966 ( -1.013 -4.451 -0.617) 4.606 4.966 ( -1.013 4.451 -0.617) 4.606 5.382 ( 0.433 -0.907 0.321) 1.055 5.382 ( 0.433 0.907 0.321) 1.055 5.687 ( -1.373 -0.688 1.639) 2.246 5.687 ( -1.373 0.688 1.639) 2.246 6.141 ( 2.154 -0.657 -1.766) 2.861 6.141 ( 2.154 0.657 -1.766) 2.861 6.678 ( 0.400 -0.644 -0.679) 1.017 6.678 ( 0.400 0.644 -0.679) 1.017 7.111 ( -2.073 -0.402 0.729) 2.234 7.111 ( -2.073 0.402 0.729) 2.234 7.251 ( 2.368 -1.168 -0.811) 2.762 7.251 ( 2.368 1.168 -0.811) 2.762 7.669 ( 0.292 -1.186 -0.404) 1.286 7.669 ( 0.292 1.186 -0.404) 1.286 8.161 ( -0.339 -0.199 0.410) 0.568 8.161 ( -0.339 0.199 0.410) 0.568 8.495 ( -0.013 -0.829 0.470) 0.953 8.495 ( -0.013 0.829 0.470) 0.953 8.997 ( -1.047 -2.418 2.156) 3.404 8.997 ( -1.047 2.418 2.156) 3.404 9.034 ( 0.480 -2.665 -2.081) 3.415 9.034 ( 0.480 2.665 -2.081) 3.415 ======================= Grid point 372 (203/205) ======================= q-point: (-0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -3.149 -9.847 10.202) 14.524 2.844 ( -3.149 9.847 10.202) 14.524 3.038 ( -2.763 -10.777 5.889) 12.588 3.038 ( -2.763 10.777 5.889) 12.588 3.870 ( -6.342 -10.510 -4.667) 13.132 3.870 ( -6.342 10.510 -4.667) 13.132 4.143 ( -0.876 -7.326 -2.741) 7.871 4.143 ( -0.876 7.326 -2.741) 7.871 4.386 ( -2.625 -6.665 0.297) 7.170 4.386 ( -2.625 6.665 0.297) 7.170 4.632 ( 3.677 -0.921 1.205) 3.977 4.632 ( 3.677 0.921 1.205) 3.977 4.907 ( -2.292 -6.989 -3.046) 7.961 4.907 ( -2.292 6.989 -3.046) 7.961 5.423 ( 0.008 -0.587 1.685) 1.784 5.423 ( 0.008 0.587 1.685) 1.784 5.669 ( 0.579 -0.427 1.734) 1.878 5.669 ( 0.579 0.427 1.734) 1.878 6.206 ( 4.903 -0.566 0.839) 5.006 6.206 ( 4.903 0.566 0.839) 5.006 6.712 ( 2.281 -1.002 1.901) 3.133 6.712 ( 2.281 1.002 1.901) 3.133 7.050 ( -3.773 -0.169 -1.623) 4.110 7.050 ( -3.773 0.169 -1.623) 4.110 7.314 ( 3.853 -1.452 1.347) 4.333 7.314 ( 3.853 1.452 1.347) 4.333 7.671 ( 0.390 -1.600 -0.702) 1.791 7.671 ( 0.390 1.600 -0.702) 1.791 8.162 ( -0.040 -1.092 0.989) 1.474 8.162 ( -0.040 1.092 0.989) 1.474 8.491 ( -0.746 -1.696 -0.189) 1.863 8.491 ( -0.746 1.696 -0.189) 1.863 8.972 ( -2.547 -0.927 0.761) 2.815 8.972 ( -2.547 0.927 0.761) 2.815 9.037 ( 1.010 -0.859 -1.311) 1.864 9.037 ( 1.010 0.859 -1.311) 1.864 ======================= Grid point 374 (204/205) ======================= q-point: (-0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -3.237 -16.173 12.493) 20.692 2.874 ( -3.237 16.173 12.493) 20.692 3.087 ( 0.639 -10.486 11.436) 15.529 3.087 ( 0.639 10.486 11.436) 15.529 3.703 ( -6.384 -10.580 -7.396) 14.401 3.703 ( -6.384 10.580 -7.396) 14.401 4.052 ( -4.897 -6.382 -5.403) 9.690 4.052 ( -4.897 6.382 -5.403) 9.690 4.350 ( -1.879 -7.570 2.504) 8.192 4.350 ( -1.879 7.570 2.504) 8.192 4.692 ( 2.201 -1.887 -1.029) 3.076 4.692 ( 2.201 1.887 -1.029) 3.076 4.875 ( 0.593 -6.484 -0.764) 6.555 4.875 ( 0.593 6.484 -0.764) 6.555 5.339 ( -6.048 -1.172 -5.581) 8.313 5.339 ( -6.048 1.172 -5.581) 8.313 5.792 ( 7.263 -0.853 7.593) 10.542 5.792 ( 7.263 0.853 7.593) 10.542 6.319 ( 5.735 -1.139 2.212) 6.251 6.319 ( 5.735 1.139 2.212) 6.251 6.771 ( 2.027 -1.367 1.912) 3.104 6.771 ( 2.027 1.367 1.912) 3.104 6.954 ( -4.362 -0.545 -3.403) 5.559 6.954 ( -4.362 0.545 -3.403) 5.559 7.405 ( 3.770 -1.861 3.531) 5.490 7.405 ( 3.770 1.861 3.531) 5.490 7.670 ( 0.326 -1.779 -1.307) 2.231 7.670 ( 0.326 1.779 -1.307) 2.231 8.178 ( 0.833 -2.054 1.585) 2.725 8.178 ( 0.833 2.054 1.585) 2.725 8.460 ( -2.339 -2.716 -0.566) 3.629 8.460 ( -2.339 2.716 -0.566) 3.629 8.929 ( -2.382 -0.710 0.466) 2.529 8.929 ( -2.382 0.710 0.466) 2.529 9.043 ( 0.866 -0.602 -1.543) 1.869 9.043 ( 0.866 0.602 -1.543) 1.869 ======================= Grid point 376 (205/205) ======================= q-point: (-0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 0.083 -17.629 11.662) 21.137 2.937 ( 0.083 17.629 11.662) 21.137 3.209 ( 1.006 -8.055 12.825) 15.178 3.209 ( 1.006 8.055 12.825) 15.178 3.537 ( -4.469 -11.601 -7.082) 14.308 3.537 ( -4.469 11.601 -7.082) 14.308 3.906 ( -5.038 -7.117 -7.254) 11.342 3.906 ( -5.038 7.117 -7.254) 11.342 4.374 ( 1.377 -7.310 5.196) 9.074 4.374 ( 1.377 7.310 5.196) 9.074 4.695 ( -0.156 -3.342 -3.205) 4.633 4.695 ( -0.156 3.342 -3.205) 4.633 4.892 ( -0.293 -6.132 2.268) 6.545 4.892 ( -0.293 6.132 2.268) 6.545 5.171 ( -5.160 -1.111 -8.229) 9.776 5.171 ( -5.160 1.111 -8.229) 9.776 6.000 ( 7.693 -0.758 8.355) 11.383 6.000 ( 7.693 0.758 8.355) 11.383 6.429 ( 4.111 -1.710 0.796) 4.524 6.429 ( 4.111 1.710 0.796) 4.524 6.784 ( -2.005 -1.235 -1.511) 2.798 6.784 ( -2.005 1.235 -1.511) 2.798 6.870 ( -0.947 -1.075 -1.617) 2.160 6.870 ( -0.947 1.075 -1.617) 2.160 7.497 ( 2.184 -1.494 5.053) 5.704 7.497 ( 2.184 1.494 5.053) 5.704 7.662 ( 0.558 -1.598 -2.618) 3.118 7.662 ( 0.558 1.598 -2.618) 3.118 8.218 ( 1.868 -2.813 2.038) 3.944 8.218 ( 1.868 2.813 2.038) 3.944 8.400 ( -3.534 -3.517 -0.532) 5.014 8.400 ( -3.534 3.517 -0.532) 5.014 8.898 ( -1.520 -0.772 0.674) 1.834 8.898 ( -1.520 0.772 0.674) 1.834 9.044 ( 0.686 -0.800 -1.900) 2.173 9.044 ( 0.686 0.800 -1.900) 2.173 =================== 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 3/23328 10.0 15982.988 10573.088 19172.500 0.000 1576.648 0.000 3/23328 20.0 4575.894 4345.628 4815.388 0.000 -642.053 0.000 3/23328 30.0 1639.869 1773.224 1724.258 0.000 -229.472 0.000 3/23328 40.0 770.300 883.407 818.436 0.000 -94.549 0.000 3/23328 50.0 439.046 516.084 470.418 0.000 -47.297 0.000 3/23328 60.0 286.342 339.830 308.695 0.000 -27.444 0.000 3/23328 70.0 205.355 244.509 222.464 0.000 -17.744 0.000 3/23328 80.0 157.552 187.704 171.375 0.000 -12.423 0.000 3/23328 90.0 126.906 151.117 138.521 0.000 -9.235 0.000 3/23328 100.0 105.950 126.047 115.991 0.000 -7.188 0.000 3/23328 110.0 90.868 107.995 99.734 0.000 -5.801 0.000 3/23328 120.0 79.562 94.462 87.516 0.000 -4.818 0.000 3/23328 130.0 70.799 83.980 78.023 0.000 -4.095 0.000 3/23328 140.0 63.820 75.639 70.445 0.000 -3.547 0.000 3/23328 150.0 58.135 68.850 64.259 0.000 -3.122 0.000 3/23328 160.0 53.415 63.218 59.112 0.000 -2.783 0.000 3/23328 170.0 49.433 58.471 54.763 0.000 -2.508 0.000 3/23328 180.0 46.027 54.415 51.036 0.000 -2.282 0.000 3/23328 190.0 43.079 50.908 47.805 0.000 -2.093 0.000 3/23328 200.0 40.502 47.843 44.977 0.000 -1.932 0.000 3/23328 210.0 38.229 45.142 42.479 0.000 -1.795 0.000 3/23328 220.0 36.208 42.742 40.255 0.000 -1.676 0.000 3/23328 230.0 34.398 40.594 38.261 0.000 -1.572 0.000 3/23328 240.0 32.768 38.660 36.464 0.000 -1.480 0.000 3/23328 250.0 31.291 36.909 34.834 0.000 -1.399 0.000 3/23328 260.0 29.946 35.316 33.348 0.000 -1.327 0.000 3/23328 270.0 28.716 33.859 31.989 0.000 -1.261 0.000 3/23328 280.0 27.587 32.522 30.740 0.000 -1.203 0.000 3/23328 290.0 26.546 31.291 29.587 0.000 -1.149 0.000 3/23328 300.0 25.583 30.152 28.521 0.000 -1.101 0.000 3/23328 310.0 24.690 29.095 27.531 0.000 -1.056 0.000 3/23328 320.0 23.859 28.112 26.610 0.000 -1.015 0.000 3/23328 330.0 23.083 27.196 25.749 0.000 -0.977 0.000 3/23328 340.0 22.358 26.339 24.945 0.000 -0.942 0.000 3/23328 350.0 21.678 25.535 24.190 0.000 -0.910 0.000 3/23328 360.0 21.039 24.781 23.480 0.000 -0.880 0.000 3/23328 370.0 20.438 24.071 22.812 0.000 -0.851 0.000 3/23328 380.0 19.871 23.401 22.182 0.000 -0.825 0.000 3/23328 390.0 19.335 22.769 21.586 0.000 -0.800 0.000 3/23328 400.0 18.828 22.170 21.022 0.000 -0.777 0.000 3/23328 410.0 18.347 21.603 20.488 0.000 -0.755 0.000 3/23328 420.0 17.891 21.065 19.980 0.000 -0.735 0.000 3/23328 430.0 17.458 20.553 19.498 0.000 -0.715 0.000 3/23328 440.0 17.045 20.066 19.038 0.000 -0.697 0.000 3/23328 450.0 16.651 19.603 18.600 0.000 -0.679 0.000 3/23328 460.0 16.276 19.160 18.182 0.000 -0.663 0.000 3/23328 470.0 15.918 18.737 17.783 0.000 -0.647 0.000 3/23328 480.0 15.575 18.333 17.401 0.000 -0.632 0.000 3/23328 490.0 15.247 17.946 17.036 0.000 -0.618 0.000 3/23328 500.0 14.933 17.576 16.685 0.000 -0.604 0.000 3/23328 510.0 14.631 17.220 16.349 0.000 -0.591 0.000 3/23328 520.0 14.342 16.879 16.027 0.000 -0.578 0.000 3/23328 530.0 14.064 16.552 15.717 0.000 -0.566 0.000 3/23328 540.0 13.796 16.237 15.419 0.000 -0.555 0.000 3/23328 550.0 13.539 15.934 15.132 0.000 -0.544 0.000 3/23328 560.0 13.292 15.642 14.856 0.000 -0.533 0.000 3/23328 570.0 13.053 15.361 14.590 0.000 -0.523 0.000 3/23328 580.0 12.823 15.089 14.333 0.000 -0.514 0.000 3/23328 590.0 12.601 14.828 14.085 0.000 -0.504 0.000 3/23328 600.0 12.386 14.575 13.846 0.000 -0.495 0.000 3/23328 610.0 12.179 14.331 13.615 0.000 -0.487 0.000 3/23328 620.0 11.979 14.095 13.391 0.000 -0.478 0.000 3/23328 630.0 11.785 13.867 13.175 0.000 -0.470 0.000 3/23328 640.0 11.598 13.646 12.966 0.000 -0.462 0.000 3/23328 650.0 11.416 13.432 12.763 0.000 -0.455 0.000 3/23328 660.0 11.240 13.225 12.567 0.000 -0.447 0.000 3/23328 670.0 11.070 13.024 12.376 0.000 -0.440 0.000 3/23328 680.0 10.904 12.829 12.192 0.000 -0.433 0.000 3/23328 690.0 10.744 12.640 12.013 0.000 -0.427 0.000 3/23328 700.0 10.588 12.457 11.839 0.000 -0.420 0.000 3/23328 710.0 10.436 12.279 11.670 0.000 -0.414 0.000 3/23328 720.0 10.289 12.106 11.506 0.000 -0.408 0.000 3/23328 730.0 10.147 11.937 11.346 0.000 -0.402 0.000 3/23328 740.0 10.008 11.774 11.191 0.000 -0.396 0.000 3/23328 750.0 9.872 11.615 11.040 0.000 -0.391 0.000 3/23328 760.0 9.741 11.460 10.893 0.000 -0.385 0.000 3/23328 770.0 9.613 11.309 10.750 0.000 -0.380 0.000 3/23328 780.0 9.488 11.162 10.611 0.000 -0.375 0.000 3/23328 790.0 9.367 11.019 10.475 0.000 -0.370 0.000 3/23328 800.0 9.248 10.880 10.343 0.000 -0.365 0.000 3/23328 810.0 9.133 10.744 10.214 0.000 -0.361 0.000 3/23328 820.0 9.020 10.611 10.088 0.000 -0.356 0.000 3/23328 830.0 8.910 10.482 9.965 0.000 -0.352 0.000 3/23328 840.0 8.803 10.356 9.845 0.000 -0.347 0.000 3/23328 850.0 8.699 10.233 9.729 0.000 -0.343 0.000 3/23328 860.0 8.596 10.112 9.614 0.000 -0.339 0.000 3/23328 870.0 8.497 9.995 9.503 0.000 -0.335 0.000 3/23328 880.0 8.399 9.880 9.394 0.000 -0.331 0.000 3/23328 890.0 8.304 9.768 9.288 0.000 -0.327 0.000 3/23328 900.0 8.211 9.659 9.184 0.000 -0.323 0.000 3/23328 910.0 8.120 9.552 9.082 0.000 -0.320 0.000 3/23328 920.0 8.031 9.447 8.983 0.000 -0.316 0.000 3/23328 930.0 7.944 9.344 8.885 0.000 -0.313 0.000 3/23328 940.0 7.859 9.244 8.790 0.000 -0.309 0.000 3/23328 950.0 7.775 9.146 8.697 0.000 -0.306 0.000 3/23328 960.0 7.694 9.050 8.606 0.000 -0.302 0.000 3/23328 970.0 7.614 8.956 8.516 0.000 -0.299 0.000 3/23328 980.0 7.536 8.864 8.429 0.000 -0.296 0.000 3/23328 990.0 7.459 8.774 8.343 0.000 -0.293 0.000 3/23328 1000.0 7.384 8.685 8.259 0.000 -0.290 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m989.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:42:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|