----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:34:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.882685130009330 0.000000000000000 0.000000000000000 b 0.000000000000000 3.934058689999999 0.000000000000000 c -3.630334548498350 0.000000000000000 10.576057066378256 Atomic positions (fractional): *1 La 0.44796533125331 0.25000000000000 0.80366336391023 138.905 2 La 0.55203466874669 0.75000000000000 0.19633663608977 138.905 *3 Er 0.17878481127208 0.75000000000000 0.00056589963254 167.259 *4 Er 0.05379463019688 0.25000000000000 0.66654864943596 167.259 5 Er 0.94620536980312 0.75000000000000 0.33345135056404 167.259 *6 Er 0.33980068651798 0.25000000000000 0.41225864958843 167.259 7 Er 0.66019931348202 0.75000000000000 0.58774135041157 167.259 8 Er 0.82121518872792 0.25000000000000 0.99943410036746 167.259 *9 S 0.10840481825773 0.25000000000000 0.44542602676227 32.065 10 S 0.89159518174227 0.75000000000000 0.55457397323773 32.065 *11 S 0.69796344562019 0.25000000000000 0.74910565414064 32.065 12 S 0.30203655437981 0.75000000000000 0.25089434585936 32.065 *13 S 0.01901350060814 0.25000000000000 0.88803847628348 32.065 14 S 0.98098649939186 0.75000000000000 0.11196152371652 32.065 *15 S 0.37782209518588 0.25000000000000 0.03635519722070 32.065 16 S 0.62217790481412 0.75000000000000 0.96364480277930 32.065 *17 S 0.76983353096332 0.25000000000000 0.22999235270649 32.065 18 S 0.23016646903668 0.75000000000000 0.77000764729351 32.065 *19 S 0.58394018626237 0.25000000000000 0.40790359591241 32.065 20 S 0.41605981373763 0.75000000000000 0.59209640408759 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.882685130009330 0.000000000000000 0.000000000000000 b 0.000000000000000 3.934058689999999 0.000000000000000 c -3.630334548498350 0.000000000000000 10.576057066378256 Atomic positions (fractional): *1 La 0.44796533125331 0.25000000000000 0.80366336391023 138.905 > 1 2 La 0.55203466874669 0.75000000000000 0.19633663608977 138.905 > 2 *3 Er 0.17878481127208 0.75000000000000 0.00056589963254 167.259 > 3 *4 Er 0.05379463019688 0.25000000000000 0.66654864943596 167.259 > 4 5 Er 0.94620536980312 0.75000000000000 0.33345135056404 167.259 > 5 *6 Er 0.33980068651798 0.25000000000000 0.41225864958843 167.259 > 6 7 Er 0.66019931348202 0.75000000000000 0.58774135041157 167.259 > 7 8 Er 0.82121518872792 0.25000000000000 0.99943410036746 167.259 > 8 *9 S 0.10840481825773 0.25000000000000 0.44542602676227 32.065 > 9 10 S 0.89159518174227 0.75000000000000 0.55457397323773 32.065 > 10 *11 S 0.69796344562019 0.25000000000000 0.74910565414064 32.065 > 11 12 S 0.30203655437981 0.75000000000000 0.25089434585936 32.065 > 12 *13 S 0.01901350060814 0.25000000000000 0.88803847628348 32.065 > 13 14 S 0.98098649939186 0.75000000000000 0.11196152371652 32.065 > 14 *15 S 0.37782209518588 0.25000000000000 0.03635519722070 32.065 > 15 16 S 0.62217790481412 0.75000000000000 0.96364480277930 32.065 > 16 *17 S 0.76983353096332 0.25000000000000 0.22999235270649 32.065 > 17 18 S 0.23016646903668 0.75000000000000 0.77000764729351 32.065 > 18 *19 S 0.58394018626237 0.25000000000000 0.40790359591241 32.065 > 19 20 S 0.41605981373763 0.75000000000000 0.59209640408759 32.065 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.765370260018660 0.000000000000000 0.000000000000000 b 0.000000000000000 11.802176069999998 0.000000000000000 c -3.630334548498350 0.000000000000000 10.576057066378256 Atomic positions (fractional): *1 La 0.22398266562666 0.08333333333333 0.80366336391023 138.905 > 1 2 La 0.72398266562666 0.08333333333333 0.80366336391023 138.905 > 1 3 La 0.22398266562666 0.41666666666667 0.80366336391023 138.905 > 1 4 La 0.72398266562666 0.41666666666667 0.80366336391023 138.905 > 1 5 La 0.22398266562666 0.75000000000000 0.80366336391023 138.905 > 1 6 La 0.72398266562666 0.75000000000000 0.80366336391023 138.905 > 1 7 La 0.27601733437334 0.25000000000000 0.19633663608977 138.905 > 2 8 La 0.77601733437334 0.25000000000000 0.19633663608977 138.905 > 2 9 La 0.27601733437334 0.58333333333333 0.19633663608977 138.905 > 2 10 La 0.77601733437334 0.58333333333333 0.19633663608977 138.905 > 2 11 La 0.27601733437334 0.91666666666667 0.19633663608977 138.905 > 2 12 La 0.77601733437334 0.91666666666667 0.19633663608977 138.905 > 2 *13 Er 0.08939240563604 0.25000000000000 0.00056589963254 167.259 > 3 14 Er 0.58939240563604 0.25000000000000 0.00056589963254 167.259 > 3 15 Er 0.08939240563604 0.58333333333333 0.00056589963254 167.259 > 3 16 Er 0.58939240563604 0.58333333333333 0.00056589963254 167.259 > 3 17 Er 0.08939240563604 0.91666666666667 0.00056589963254 167.259 > 3 18 Er 0.58939240563604 0.91666666666667 0.00056589963254 167.259 > 3 *19 Er 0.02689731509844 0.08333333333333 0.66654864943596 167.259 > 4 20 Er 0.52689731509844 0.08333333333333 0.66654864943596 167.259 > 4 21 Er 0.02689731509844 0.41666666666667 0.66654864943596 167.259 > 4 22 Er 0.52689731509844 0.41666666666667 0.66654864943596 167.259 > 4 23 Er 0.02689731509844 0.75000000000000 0.66654864943596 167.259 > 4 24 Er 0.52689731509844 0.75000000000000 0.66654864943596 167.259 > 4 25 Er 0.47310268490156 0.25000000000000 0.33345135056404 167.259 > 5 26 Er 0.97310268490156 0.25000000000000 0.33345135056404 167.259 > 5 27 Er 0.47310268490156 0.58333333333333 0.33345135056404 167.259 > 5 28 Er 0.97310268490156 0.58333333333333 0.33345135056404 167.259 > 5 29 Er 0.47310268490156 0.91666666666667 0.33345135056404 167.259 > 5 30 Er 0.97310268490156 0.91666666666667 0.33345135056404 167.259 > 5 *31 Er 0.16990034325899 0.08333333333333 0.41225864958843 167.259 > 6 32 Er 0.66990034325899 0.08333333333333 0.41225864958843 167.259 > 6 33 Er 0.16990034325899 0.41666666666667 0.41225864958843 167.259 > 6 34 Er 0.66990034325899 0.41666666666667 0.41225864958843 167.259 > 6 35 Er 0.16990034325899 0.75000000000000 0.41225864958843 167.259 > 6 36 Er 0.66990034325899 0.75000000000000 0.41225864958843 167.259 > 6 37 Er 0.33009965674101 0.25000000000000 0.58774135041157 167.259 > 7 38 Er 0.83009965674101 0.25000000000000 0.58774135041157 167.259 > 7 39 Er 0.33009965674101 0.58333333333333 0.58774135041157 167.259 > 7 40 Er 0.83009965674101 0.58333333333333 0.58774135041157 167.259 > 7 41 Er 0.33009965674101 0.91666666666667 0.58774135041157 167.259 > 7 42 Er 0.83009965674101 0.91666666666667 0.58774135041157 167.259 > 7 43 Er 0.41060759436396 0.08333333333333 0.99943410036746 167.259 > 8 44 Er 0.91060759436396 0.08333333333333 0.99943410036746 167.259 > 8 45 Er 0.41060759436396 0.41666666666667 0.99943410036746 167.259 > 8 46 Er 0.91060759436396 0.41666666666667 0.99943410036746 167.259 > 8 47 Er 0.41060759436396 0.75000000000000 0.99943410036746 167.259 > 8 48 Er 0.91060759436396 0.75000000000000 0.99943410036746 167.259 > 8 *49 S 0.05420240912886 0.08333333333333 0.44542602676227 32.065 > 9 50 S 0.55420240912886 0.08333333333333 0.44542602676227 32.065 > 9 51 S 0.05420240912886 0.41666666666667 0.44542602676227 32.065 > 9 52 S 0.55420240912886 0.41666666666667 0.44542602676227 32.065 > 9 53 S 0.05420240912886 0.75000000000000 0.44542602676227 32.065 > 9 54 S 0.55420240912886 0.75000000000000 0.44542602676227 32.065 > 9 55 S 0.44579759087114 0.25000000000000 0.55457397323773 32.065 > 10 56 S 0.94579759087114 0.25000000000000 0.55457397323773 32.065 > 10 57 S 0.44579759087114 0.58333333333333 0.55457397323773 32.065 > 10 58 S 0.94579759087114 0.58333333333333 0.55457397323773 32.065 > 10 59 S 0.44579759087114 0.91666666666667 0.55457397323773 32.065 > 10 60 S 0.94579759087114 0.91666666666667 0.55457397323773 32.065 > 10 *61 S 0.34898172281009 0.08333333333333 0.74910565414064 32.065 > 11 62 S 0.84898172281009 0.08333333333333 0.74910565414064 32.065 > 11 63 S 0.34898172281009 0.41666666666667 0.74910565414064 32.065 > 11 64 S 0.84898172281009 0.41666666666667 0.74910565414064 32.065 > 11 65 S 0.34898172281009 0.75000000000000 0.74910565414064 32.065 > 11 66 S 0.84898172281009 0.75000000000000 0.74910565414064 32.065 > 11 67 S 0.15101827718991 0.25000000000000 0.25089434585936 32.065 > 12 68 S 0.65101827718991 0.25000000000000 0.25089434585936 32.065 > 12 69 S 0.15101827718991 0.58333333333333 0.25089434585936 32.065 > 12 70 S 0.65101827718991 0.58333333333333 0.25089434585936 32.065 > 12 71 S 0.15101827718991 0.91666666666667 0.25089434585936 32.065 > 12 72 S 0.65101827718991 0.91666666666667 0.25089434585936 32.065 > 12 *73 S 0.00950675030407 0.08333333333333 0.88803847628348 32.065 > 13 74 S 0.50950675030407 0.08333333333333 0.88803847628348 32.065 > 13 75 S 0.00950675030407 0.41666666666667 0.88803847628348 32.065 > 13 76 S 0.50950675030407 0.41666666666667 0.88803847628348 32.065 > 13 77 S 0.00950675030407 0.75000000000000 0.88803847628348 32.065 > 13 78 S 0.50950675030407 0.75000000000000 0.88803847628348 32.065 > 13 79 S 0.49049324969593 0.25000000000000 0.11196152371652 32.065 > 14 80 S 0.99049324969593 0.25000000000000 0.11196152371652 32.065 > 14 81 S 0.49049324969593 0.58333333333333 0.11196152371652 32.065 > 14 82 S 0.99049324969593 0.58333333333333 0.11196152371652 32.065 > 14 83 S 0.49049324969593 0.91666666666667 0.11196152371652 32.065 > 14 84 S 0.99049324969593 0.91666666666667 0.11196152371652 32.065 > 14 *85 S 0.18891104759294 0.08333333333333 0.03635519722070 32.065 > 15 86 S 0.68891104759294 0.08333333333333 0.03635519722070 32.065 > 15 87 S 0.18891104759294 0.41666666666667 0.03635519722070 32.065 > 15 88 S 0.68891104759294 0.41666666666667 0.03635519722070 32.065 > 15 89 S 0.18891104759294 0.75000000000000 0.03635519722070 32.065 > 15 90 S 0.68891104759294 0.75000000000000 0.03635519722070 32.065 > 15 91 S 0.31108895240706 0.25000000000000 0.96364480277930 32.065 > 16 92 S 0.81108895240706 0.25000000000000 0.96364480277930 32.065 > 16 93 S 0.31108895240706 0.58333333333333 0.96364480277930 32.065 > 16 94 S 0.81108895240706 0.58333333333333 0.96364480277930 32.065 > 16 95 S 0.31108895240706 0.91666666666667 0.96364480277930 32.065 > 16 96 S 0.81108895240706 0.91666666666667 0.96364480277930 32.065 > 16 *97 S 0.38491676548166 0.08333333333333 0.22999235270649 32.065 > 17 98 S 0.88491676548166 0.08333333333333 0.22999235270649 32.065 > 17 99 S 0.38491676548166 0.41666666666667 0.22999235270649 32.065 > 17 100 S 0.88491676548166 0.41666666666667 0.22999235270649 32.065 > 17 101 S 0.38491676548166 0.75000000000000 0.22999235270649 32.065 > 17 102 S 0.88491676548166 0.75000000000000 0.22999235270649 32.065 > 17 103 S 0.11508323451834 0.25000000000000 0.77000764729351 32.065 > 18 104 S 0.61508323451834 0.25000000000000 0.77000764729351 32.065 > 18 105 S 0.11508323451834 0.58333333333333 0.77000764729351 32.065 > 18 106 S 0.61508323451834 0.58333333333333 0.77000764729351 32.065 > 18 107 S 0.11508323451834 0.91666666666667 0.77000764729351 32.065 > 18 108 S 0.61508323451834 0.91666666666667 0.77000764729351 32.065 > 18 *109 S 0.29197009313119 0.08333333333333 0.40790359591241 32.065 > 19 110 S 0.79197009313119 0.08333333333333 0.40790359591241 32.065 > 19 111 S 0.29197009313119 0.41666666666667 0.40790359591241 32.065 > 19 112 S 0.79197009313119 0.41666666666667 0.40790359591241 32.065 > 19 113 S 0.29197009313119 0.75000000000000 0.40790359591241 32.065 > 19 114 S 0.79197009313119 0.75000000000000 0.40790359591241 32.065 > 19 115 S 0.20802990686881 0.25000000000000 0.59209640408759 32.065 > 20 116 S 0.70802990686881 0.25000000000000 0.59209640408759 32.065 > 20 117 S 0.20802990686881 0.58333333333333 0.59209640408759 32.065 > 20 118 S 0.70802990686881 0.58333333333333 0.59209640408759 32.065 > 20 119 S 0.20802990686881 0.91666666666667 0.59209640408759 32.065 > 20 120 S 0.70802990686881 0.91666666666667 0.59209640408759 32.065 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2241763 0.0000000 -0.0943370 0.0000000 7.5210396 0.0000000 -0.0933072 0.0000000 7.4355089 -------------------------- Born effective charges -------------------------- 1 La 4.0486644 0.0000000 -0.1674674 0.0000000 4.1806477 0.0000000 -0.3291815 0.0000000 4.1054854 2 La 4.0486644 0.0000000 -0.1674674 0.0000000 4.1806477 0.0000000 -0.3291815 0.0000000 4.1054854 3 Er 3.8316306 0.0000000 0.0668711 0.0000000 3.6414325 0.0000000 0.3762717 0.0000000 3.7727384 4 Er 3.0868778 0.0000000 0.2933311 0.0000000 4.3269688 0.0000000 0.0443410 0.0000000 4.6420676 5 Er 3.0868778 0.0000000 0.2933311 0.0000000 4.3269688 0.0000000 0.0443410 0.0000000 4.6420676 6 Er 3.8801949 0.0000000 -0.2903514 0.0000000 4.4589816 0.0000000 -0.1192364 0.0000000 3.4706333 7 Er 3.8801949 0.0000000 -0.2903514 0.0000000 4.4589816 0.0000000 -0.1192364 0.0000000 3.4706333 8 Er 3.8316306 0.0000000 0.0668711 0.0000000 3.6414325 0.0000000 0.3762717 0.0000000 3.7727384 9 S -3.2384744 0.0000000 -0.0115523 0.0000000 -2.4749242 0.0000000 0.0269700 0.0000000 -2.5381921 10 S -3.2384744 0.0000000 -0.0115523 0.0000000 -2.4749242 0.0000000 0.0269700 0.0000000 -2.5381921 11 S -1.8616887 0.0000000 0.1685950 0.0000000 -2.6853058 0.0000000 0.2524962 0.0000000 -3.3059944 12 S -1.8616887 0.0000000 0.1685950 0.0000000 -2.6853058 0.0000000 0.2524962 0.0000000 -3.3059944 13 S -2.5778827 0.0000000 0.4522252 0.0000000 -2.2852659 0.0000000 0.2578451 0.0000000 -2.6343465 14 S -2.5778827 0.0000000 0.4522252 0.0000000 -2.2852659 0.0000000 0.2578451 0.0000000 -2.6343465 15 S -2.3965779 0.0000000 -0.3391258 0.0000000 -2.9982039 0.0000000 -0.3499385 0.0000000 -2.4234591 16 S -2.3965779 0.0000000 -0.3391258 0.0000000 -2.9982039 0.0000000 -0.3499385 0.0000000 -2.4234591 17 S -2.8081805 0.0000000 -0.4022998 0.0000000 -3.1476012 0.0000000 -0.1884518 0.0000000 -2.0992233 18 S -2.8081805 0.0000000 -0.4022998 0.0000000 -3.1476012 0.0000000 -0.1884518 0.0000000 -2.0992233 19 S -1.9645634 0.0000000 0.2297744 0.0000000 -3.0167295 0.0000000 0.0288841 0.0000000 -2.9897092 20 S -1.9645634 0.0000000 0.2297744 0.0000000 -3.0167295 0.0000000 0.0288841 0.0000000 -2.9897092 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.810 Solver_block: 200 / 640 - Time: 0.679 Solver_block: 300 / 640 - Time: 0.673 Solver_block: 400 / 640 - Time: 0.670 Solver_block: 500 / 640 - Time: 0.672 Solver_block: 600 / 640 - Time: 0.675 Solver_block: 640 / 640 - Time: 0.364 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.659 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-09 04:35:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:35:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.882685130009330 0.000000000000000 0.000000000000000 b 0.000000000000000 3.934058689999999 0.000000000000000 c -3.630334548498350 0.000000000000000 10.576057066378256 Atomic positions (fractional): 1 La 0.44796533125331 0.25000000000000 0.80366336391023 138.905 2 La 0.55203466874669 0.75000000000000 0.19633663608977 138.905 3 Er 0.17878481127208 0.75000000000000 0.00056589963254 167.259 4 Er 0.05379463019688 0.25000000000000 0.66654864943596 167.259 5 Er 0.94620536980312 0.75000000000000 0.33345135056404 167.259 6 Er 0.33980068651798 0.25000000000000 0.41225864958843 167.259 7 Er 0.66019931348202 0.75000000000000 0.58774135041157 167.259 8 Er 0.82121518872792 0.25000000000000 0.99943410036746 167.259 9 S 0.10840481825773 0.25000000000000 0.44542602676227 32.065 10 S 0.89159518174227 0.75000000000000 0.55457397323773 32.065 11 S 0.69796344562019 0.25000000000000 0.74910565414064 32.065 12 S 0.30203655437981 0.75000000000000 0.25089434585936 32.065 13 S 0.01901350060814 0.25000000000000 0.88803847628348 32.065 14 S 0.98098649939186 0.75000000000000 0.11196152371652 32.065 15 S 0.37782209518588 0.25000000000000 0.03635519722070 32.065 16 S 0.62217790481412 0.75000000000000 0.96364480277930 32.065 17 S 0.76983353096332 0.25000000000000 0.22999235270649 32.065 18 S 0.23016646903668 0.75000000000000 0.77000764729351 32.065 19 S 0.58394018626237 0.25000000000000 0.40790359591241 32.065 20 S 0.41605981373763 0.75000000000000 0.59209640408759 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.765370260018660 0.000000000000000 0.000000000000000 b 0.000000000000000 11.802176069999998 0.000000000000000 c -3.630334548498350 0.000000000000000 10.576057066378256 Atomic positions (fractional): 1 La 0.22398266562666 0.08333333333333 0.80366336391023 138.905 > 1 2 La 0.72398266562666 0.08333333333333 0.80366336391023 138.905 > 1 3 La 0.22398266562666 0.41666666666667 0.80366336391023 138.905 > 1 4 La 0.72398266562666 0.41666666666667 0.80366336391023 138.905 > 1 5 La 0.22398266562666 0.75000000000000 0.80366336391023 138.905 > 1 6 La 0.72398266562666 0.75000000000000 0.80366336391023 138.905 > 1 7 La 0.27601733437334 0.25000000000000 0.19633663608977 138.905 > 7 8 La 0.77601733437334 0.25000000000000 0.19633663608977 138.905 > 7 9 La 0.27601733437334 0.58333333333333 0.19633663608977 138.905 > 7 10 La 0.77601733437334 0.58333333333333 0.19633663608977 138.905 > 7 11 La 0.27601733437334 0.91666666666667 0.19633663608977 138.905 > 7 12 La 0.77601733437334 0.91666666666667 0.19633663608977 138.905 > 7 13 Er 0.08939240563604 0.25000000000000 0.00056589963254 167.259 > 13 14 Er 0.58939240563604 0.25000000000000 0.00056589963254 167.259 > 13 15 Er 0.08939240563604 0.58333333333333 0.00056589963254 167.259 > 13 16 Er 0.58939240563604 0.58333333333333 0.00056589963254 167.259 > 13 17 Er 0.08939240563604 0.91666666666667 0.00056589963254 167.259 > 13 18 Er 0.58939240563604 0.91666666666667 0.00056589963254 167.259 > 13 19 Er 0.02689731509844 0.08333333333333 0.66654864943596 167.259 > 19 20 Er 0.52689731509844 0.08333333333333 0.66654864943596 167.259 > 19 21 Er 0.02689731509844 0.41666666666667 0.66654864943596 167.259 > 19 22 Er 0.52689731509844 0.41666666666667 0.66654864943596 167.259 > 19 23 Er 0.02689731509844 0.75000000000000 0.66654864943596 167.259 > 19 24 Er 0.52689731509844 0.75000000000000 0.66654864943596 167.259 > 19 25 Er 0.47310268490156 0.25000000000000 0.33345135056404 167.259 > 25 26 Er 0.97310268490156 0.25000000000000 0.33345135056404 167.259 > 25 27 Er 0.47310268490156 0.58333333333333 0.33345135056404 167.259 > 25 28 Er 0.97310268490156 0.58333333333333 0.33345135056404 167.259 > 25 29 Er 0.47310268490156 0.91666666666667 0.33345135056404 167.259 > 25 30 Er 0.97310268490156 0.91666666666667 0.33345135056404 167.259 > 25 31 Er 0.16990034325899 0.08333333333333 0.41225864958843 167.259 > 31 32 Er 0.66990034325899 0.08333333333333 0.41225864958843 167.259 > 31 33 Er 0.16990034325899 0.41666666666667 0.41225864958843 167.259 > 31 34 Er 0.66990034325899 0.41666666666667 0.41225864958843 167.259 > 31 35 Er 0.16990034325899 0.75000000000000 0.41225864958843 167.259 > 31 36 Er 0.66990034325899 0.75000000000000 0.41225864958843 167.259 > 31 37 Er 0.33009965674101 0.25000000000000 0.58774135041157 167.259 > 37 38 Er 0.83009965674101 0.25000000000000 0.58774135041157 167.259 > 37 39 Er 0.33009965674101 0.58333333333333 0.58774135041157 167.259 > 37 40 Er 0.83009965674101 0.58333333333333 0.58774135041157 167.259 > 37 41 Er 0.33009965674101 0.91666666666667 0.58774135041157 167.259 > 37 42 Er 0.83009965674101 0.91666666666667 0.58774135041157 167.259 > 37 43 Er 0.41060759436396 0.08333333333333 0.99943410036746 167.259 > 43 44 Er 0.91060759436396 0.08333333333333 0.99943410036746 167.259 > 43 45 Er 0.41060759436396 0.41666666666667 0.99943410036746 167.259 > 43 46 Er 0.91060759436396 0.41666666666667 0.99943410036746 167.259 > 43 47 Er 0.41060759436396 0.75000000000000 0.99943410036746 167.259 > 43 48 Er 0.91060759436396 0.75000000000000 0.99943410036746 167.259 > 43 49 S 0.05420240912886 0.08333333333333 0.44542602676227 32.065 > 49 50 S 0.55420240912886 0.08333333333333 0.44542602676227 32.065 > 49 51 S 0.05420240912886 0.41666666666667 0.44542602676227 32.065 > 49 52 S 0.55420240912886 0.41666666666667 0.44542602676227 32.065 > 49 53 S 0.05420240912886 0.75000000000000 0.44542602676227 32.065 > 49 54 S 0.55420240912886 0.75000000000000 0.44542602676227 32.065 > 49 55 S 0.44579759087114 0.25000000000000 0.55457397323773 32.065 > 55 56 S 0.94579759087114 0.25000000000000 0.55457397323773 32.065 > 55 57 S 0.44579759087114 0.58333333333333 0.55457397323773 32.065 > 55 58 S 0.94579759087114 0.58333333333333 0.55457397323773 32.065 > 55 59 S 0.44579759087114 0.91666666666667 0.55457397323773 32.065 > 55 60 S 0.94579759087114 0.91666666666667 0.55457397323773 32.065 > 55 61 S 0.34898172281009 0.08333333333333 0.74910565414064 32.065 > 61 62 S 0.84898172281009 0.08333333333333 0.74910565414064 32.065 > 61 63 S 0.34898172281009 0.41666666666667 0.74910565414064 32.065 > 61 64 S 0.84898172281009 0.41666666666667 0.74910565414064 32.065 > 61 65 S 0.34898172281009 0.75000000000000 0.74910565414064 32.065 > 61 66 S 0.84898172281009 0.75000000000000 0.74910565414064 32.065 > 61 67 S 0.15101827718991 0.25000000000000 0.25089434585936 32.065 > 67 68 S 0.65101827718991 0.25000000000000 0.25089434585936 32.065 > 67 69 S 0.15101827718991 0.58333333333333 0.25089434585936 32.065 > 67 70 S 0.65101827718991 0.58333333333333 0.25089434585936 32.065 > 67 71 S 0.15101827718991 0.91666666666667 0.25089434585936 32.065 > 67 72 S 0.65101827718991 0.91666666666667 0.25089434585936 32.065 > 67 73 S 0.00950675030407 0.08333333333333 0.88803847628348 32.065 > 73 74 S 0.50950675030407 0.08333333333333 0.88803847628348 32.065 > 73 75 S 0.00950675030407 0.41666666666667 0.88803847628348 32.065 > 73 76 S 0.50950675030407 0.41666666666667 0.88803847628348 32.065 > 73 77 S 0.00950675030407 0.75000000000000 0.88803847628348 32.065 > 73 78 S 0.50950675030407 0.75000000000000 0.88803847628348 32.065 > 73 79 S 0.49049324969593 0.25000000000000 0.11196152371652 32.065 > 79 80 S 0.99049324969593 0.25000000000000 0.11196152371652 32.065 > 79 81 S 0.49049324969593 0.58333333333333 0.11196152371652 32.065 > 79 82 S 0.99049324969593 0.58333333333333 0.11196152371652 32.065 > 79 83 S 0.49049324969593 0.91666666666667 0.11196152371652 32.065 > 79 84 S 0.99049324969593 0.91666666666667 0.11196152371652 32.065 > 79 85 S 0.18891104759294 0.08333333333333 0.03635519722070 32.065 > 85 86 S 0.68891104759294 0.08333333333333 0.03635519722070 32.065 > 85 87 S 0.18891104759294 0.41666666666667 0.03635519722070 32.065 > 85 88 S 0.68891104759294 0.41666666666667 0.03635519722070 32.065 > 85 89 S 0.18891104759294 0.75000000000000 0.03635519722070 32.065 > 85 90 S 0.68891104759294 0.75000000000000 0.03635519722070 32.065 > 85 91 S 0.31108895240706 0.25000000000000 0.96364480277930 32.065 > 91 92 S 0.81108895240706 0.25000000000000 0.96364480277930 32.065 > 91 93 S 0.31108895240706 0.58333333333333 0.96364480277930 32.065 > 91 94 S 0.81108895240706 0.58333333333333 0.96364480277930 32.065 > 91 95 S 0.31108895240706 0.91666666666667 0.96364480277930 32.065 > 91 96 S 0.81108895240706 0.91666666666667 0.96364480277930 32.065 > 91 97 S 0.38491676548166 0.08333333333333 0.22999235270649 32.065 > 97 98 S 0.88491676548166 0.08333333333333 0.22999235270649 32.065 > 97 99 S 0.38491676548166 0.41666666666667 0.22999235270649 32.065 > 97 100 S 0.88491676548166 0.41666666666667 0.22999235270649 32.065 > 97 101 S 0.38491676548166 0.75000000000000 0.22999235270649 32.065 > 97 102 S 0.88491676548166 0.75000000000000 0.22999235270649 32.065 > 97 103 S 0.11508323451834 0.25000000000000 0.77000764729351 32.065 > 103 104 S 0.61508323451834 0.25000000000000 0.77000764729351 32.065 > 103 105 S 0.11508323451834 0.58333333333333 0.77000764729351 32.065 > 103 106 S 0.61508323451834 0.58333333333333 0.77000764729351 32.065 > 103 107 S 0.11508323451834 0.91666666666667 0.77000764729351 32.065 > 103 108 S 0.61508323451834 0.91666666666667 0.77000764729351 32.065 > 103 109 S 0.29197009313119 0.08333333333333 0.40790359591241 32.065 > 109 110 S 0.79197009313119 0.08333333333333 0.40790359591241 32.065 > 109 111 S 0.29197009313119 0.41666666666667 0.40790359591241 32.065 > 109 112 S 0.79197009313119 0.41666666666667 0.40790359591241 32.065 > 109 113 S 0.29197009313119 0.75000000000000 0.40790359591241 32.065 > 109 114 S 0.79197009313119 0.75000000000000 0.40790359591241 32.065 > 109 115 S 0.20802990686881 0.25000000000000 0.59209640408759 32.065 > 115 116 S 0.70802990686881 0.25000000000000 0.59209640408759 32.065 > 115 117 S 0.20802990686881 0.58333333333333 0.59209640408759 32.065 > 115 118 S 0.70802990686881 0.58333333333333 0.59209640408759 32.065 > 115 119 S 0.20802990686881 0.91666666666667 0.59209640408759 32.065 > 115 120 S 0.70802990686881 0.91666666666667 0.59209640408759 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2241763 0.0000000 -0.0943370 0.0000000 7.5210396 0.0000000 -0.0933072 0.0000000 7.4355089 -------------------------- Born effective charges -------------------------- 1 La 4.0486644 0.0000000 -0.1674674 0.0000000 4.1806477 0.0000000 -0.3291815 0.0000000 4.1054854 2 La 4.0486644 0.0000000 -0.1674674 0.0000000 4.1806477 0.0000000 -0.3291815 0.0000000 4.1054854 3 Er 3.8316306 0.0000000 0.0668711 0.0000000 3.6414325 0.0000000 0.3762717 0.0000000 3.7727384 4 Er 3.0868778 0.0000000 0.2933311 0.0000000 4.3269688 0.0000000 0.0443410 0.0000000 4.6420676 5 Er 3.0868778 0.0000000 0.2933311 0.0000000 4.3269688 0.0000000 0.0443410 0.0000000 4.6420676 6 Er 3.8801949 0.0000000 -0.2903514 0.0000000 4.4589816 0.0000000 -0.1192364 0.0000000 3.4706333 7 Er 3.8801949 0.0000000 -0.2903514 0.0000000 4.4589816 0.0000000 -0.1192364 0.0000000 3.4706333 8 Er 3.8316306 0.0000000 0.0668711 0.0000000 3.6414325 0.0000000 0.3762717 0.0000000 3.7727384 9 S -3.2384744 0.0000000 -0.0115523 0.0000000 -2.4749242 0.0000000 0.0269700 0.0000000 -2.5381921 10 S -3.2384744 0.0000000 -0.0115523 0.0000000 -2.4749242 0.0000000 0.0269700 0.0000000 -2.5381921 11 S -1.8616887 0.0000000 0.1685950 0.0000000 -2.6853058 0.0000000 0.2524962 0.0000000 -3.3059944 12 S -1.8616887 0.0000000 0.1685950 0.0000000 -2.6853058 0.0000000 0.2524962 0.0000000 -3.3059944 13 S -2.5778827 0.0000000 0.4522252 0.0000000 -2.2852659 0.0000000 0.2578451 0.0000000 -2.6343465 14 S -2.5778827 0.0000000 0.4522252 0.0000000 -2.2852659 0.0000000 0.2578451 0.0000000 -2.6343465 15 S -2.3965779 0.0000000 -0.3391258 0.0000000 -2.9982039 0.0000000 -0.3499385 0.0000000 -2.4234591 16 S -2.3965779 0.0000000 -0.3391258 0.0000000 -2.9982039 0.0000000 -0.3499385 0.0000000 -2.4234591 17 S -2.8081805 0.0000000 -0.4022998 0.0000000 -3.1476012 0.0000000 -0.1884518 0.0000000 -2.0992233 18 S -2.8081805 0.0000000 -0.4022998 0.0000000 -3.1476012 0.0000000 -0.1884518 0.0000000 -2.0992233 19 S -1.9645634 0.0000000 0.2297744 0.0000000 -3.0167295 0.0000000 0.0288841 0.0000000 -2.9897092 20 S -1.9645634 0.0000000 0.2297744 0.0000000 -3.0167295 0.0000000 0.0288841 0.0000000 -2.9897092 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 13, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 19, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 31, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 61, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 85, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 2026-01-09 04:35:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:35:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.882685130009330 0.000000000000000 0.000000000000000 b 0.000000000000000 3.934058689999999 0.000000000000000 c -3.630334548498350 0.000000000000000 10.576057066378256 Atomic positions (fractional): 1 La 0.44796533125331 0.25000000000000 0.80366336391023 138.905 2 La 0.55203466874669 0.75000000000000 0.19633663608977 138.905 3 Er 0.17878481127208 0.75000000000000 0.00056589963254 167.259 4 Er 0.05379463019688 0.25000000000000 0.66654864943596 167.259 5 Er 0.94620536980312 0.75000000000000 0.33345135056404 167.259 6 Er 0.33980068651798 0.25000000000000 0.41225864958843 167.259 7 Er 0.66019931348202 0.75000000000000 0.58774135041157 167.259 8 Er 0.82121518872792 0.25000000000000 0.99943410036746 167.259 9 S 0.10840481825773 0.25000000000000 0.44542602676227 32.065 10 S 0.89159518174227 0.75000000000000 0.55457397323773 32.065 11 S 0.69796344562019 0.25000000000000 0.74910565414064 32.065 12 S 0.30203655437981 0.75000000000000 0.25089434585936 32.065 13 S 0.01901350060814 0.25000000000000 0.88803847628348 32.065 14 S 0.98098649939186 0.75000000000000 0.11196152371652 32.065 15 S 0.37782209518588 0.25000000000000 0.03635519722070 32.065 16 S 0.62217790481412 0.75000000000000 0.96364480277930 32.065 17 S 0.76983353096332 0.25000000000000 0.22999235270649 32.065 18 S 0.23016646903668 0.75000000000000 0.77000764729351 32.065 19 S 0.58394018626237 0.25000000000000 0.40790359591241 32.065 20 S 0.41605981373763 0.75000000000000 0.59209640408759 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.765370260018660 0.000000000000000 0.000000000000000 b 0.000000000000000 11.802176069999998 0.000000000000000 c -3.630334548498350 0.000000000000000 10.576057066378256 Atomic positions (fractional): 1 La 0.22398266562666 0.08333333333333 0.80366336391023 138.905 > 1 2 La 0.72398266562666 0.08333333333333 0.80366336391023 138.905 > 1 3 La 0.22398266562666 0.41666666666667 0.80366336391023 138.905 > 1 4 La 0.72398266562666 0.41666666666667 0.80366336391023 138.905 > 1 5 La 0.22398266562666 0.75000000000000 0.80366336391023 138.905 > 1 6 La 0.72398266562666 0.75000000000000 0.80366336391023 138.905 > 1 7 La 0.27601733437334 0.25000000000000 0.19633663608977 138.905 > 7 8 La 0.77601733437334 0.25000000000000 0.19633663608977 138.905 > 7 9 La 0.27601733437334 0.58333333333333 0.19633663608977 138.905 > 7 10 La 0.77601733437334 0.58333333333333 0.19633663608977 138.905 > 7 11 La 0.27601733437334 0.91666666666667 0.19633663608977 138.905 > 7 12 La 0.77601733437334 0.91666666666667 0.19633663608977 138.905 > 7 13 Er 0.08939240563604 0.25000000000000 0.00056589963254 167.259 > 13 14 Er 0.58939240563604 0.25000000000000 0.00056589963254 167.259 > 13 15 Er 0.08939240563604 0.58333333333333 0.00056589963254 167.259 > 13 16 Er 0.58939240563604 0.58333333333333 0.00056589963254 167.259 > 13 17 Er 0.08939240563604 0.91666666666667 0.00056589963254 167.259 > 13 18 Er 0.58939240563604 0.91666666666667 0.00056589963254 167.259 > 13 19 Er 0.02689731509844 0.08333333333333 0.66654864943596 167.259 > 19 20 Er 0.52689731509844 0.08333333333333 0.66654864943596 167.259 > 19 21 Er 0.02689731509844 0.41666666666667 0.66654864943596 167.259 > 19 22 Er 0.52689731509844 0.41666666666667 0.66654864943596 167.259 > 19 23 Er 0.02689731509844 0.75000000000000 0.66654864943596 167.259 > 19 24 Er 0.52689731509844 0.75000000000000 0.66654864943596 167.259 > 19 25 Er 0.47310268490156 0.25000000000000 0.33345135056404 167.259 > 25 26 Er 0.97310268490156 0.25000000000000 0.33345135056404 167.259 > 25 27 Er 0.47310268490156 0.58333333333333 0.33345135056404 167.259 > 25 28 Er 0.97310268490156 0.58333333333333 0.33345135056404 167.259 > 25 29 Er 0.47310268490156 0.91666666666667 0.33345135056404 167.259 > 25 30 Er 0.97310268490156 0.91666666666667 0.33345135056404 167.259 > 25 31 Er 0.16990034325899 0.08333333333333 0.41225864958843 167.259 > 31 32 Er 0.66990034325899 0.08333333333333 0.41225864958843 167.259 > 31 33 Er 0.16990034325899 0.41666666666667 0.41225864958843 167.259 > 31 34 Er 0.66990034325899 0.41666666666667 0.41225864958843 167.259 > 31 35 Er 0.16990034325899 0.75000000000000 0.41225864958843 167.259 > 31 36 Er 0.66990034325899 0.75000000000000 0.41225864958843 167.259 > 31 37 Er 0.33009965674101 0.25000000000000 0.58774135041157 167.259 > 37 38 Er 0.83009965674101 0.25000000000000 0.58774135041157 167.259 > 37 39 Er 0.33009965674101 0.58333333333333 0.58774135041157 167.259 > 37 40 Er 0.83009965674101 0.58333333333333 0.58774135041157 167.259 > 37 41 Er 0.33009965674101 0.91666666666667 0.58774135041157 167.259 > 37 42 Er 0.83009965674101 0.91666666666667 0.58774135041157 167.259 > 37 43 Er 0.41060759436396 0.08333333333333 0.99943410036746 167.259 > 43 44 Er 0.91060759436396 0.08333333333333 0.99943410036746 167.259 > 43 45 Er 0.41060759436396 0.41666666666667 0.99943410036746 167.259 > 43 46 Er 0.91060759436396 0.41666666666667 0.99943410036746 167.259 > 43 47 Er 0.41060759436396 0.75000000000000 0.99943410036746 167.259 > 43 48 Er 0.91060759436396 0.75000000000000 0.99943410036746 167.259 > 43 49 S 0.05420240912886 0.08333333333333 0.44542602676227 32.065 > 49 50 S 0.55420240912886 0.08333333333333 0.44542602676227 32.065 > 49 51 S 0.05420240912886 0.41666666666667 0.44542602676227 32.065 > 49 52 S 0.55420240912886 0.41666666666667 0.44542602676227 32.065 > 49 53 S 0.05420240912886 0.75000000000000 0.44542602676227 32.065 > 49 54 S 0.55420240912886 0.75000000000000 0.44542602676227 32.065 > 49 55 S 0.44579759087114 0.25000000000000 0.55457397323773 32.065 > 55 56 S 0.94579759087114 0.25000000000000 0.55457397323773 32.065 > 55 57 S 0.44579759087114 0.58333333333333 0.55457397323773 32.065 > 55 58 S 0.94579759087114 0.58333333333333 0.55457397323773 32.065 > 55 59 S 0.44579759087114 0.91666666666667 0.55457397323773 32.065 > 55 60 S 0.94579759087114 0.91666666666667 0.55457397323773 32.065 > 55 61 S 0.34898172281009 0.08333333333333 0.74910565414064 32.065 > 61 62 S 0.84898172281009 0.08333333333333 0.74910565414064 32.065 > 61 63 S 0.34898172281009 0.41666666666667 0.74910565414064 32.065 > 61 64 S 0.84898172281009 0.41666666666667 0.74910565414064 32.065 > 61 65 S 0.34898172281009 0.75000000000000 0.74910565414064 32.065 > 61 66 S 0.84898172281009 0.75000000000000 0.74910565414064 32.065 > 61 67 S 0.15101827718991 0.25000000000000 0.25089434585936 32.065 > 67 68 S 0.65101827718991 0.25000000000000 0.25089434585936 32.065 > 67 69 S 0.15101827718991 0.58333333333333 0.25089434585936 32.065 > 67 70 S 0.65101827718991 0.58333333333333 0.25089434585936 32.065 > 67 71 S 0.15101827718991 0.91666666666667 0.25089434585936 32.065 > 67 72 S 0.65101827718991 0.91666666666667 0.25089434585936 32.065 > 67 73 S 0.00950675030407 0.08333333333333 0.88803847628348 32.065 > 73 74 S 0.50950675030407 0.08333333333333 0.88803847628348 32.065 > 73 75 S 0.00950675030407 0.41666666666667 0.88803847628348 32.065 > 73 76 S 0.50950675030407 0.41666666666667 0.88803847628348 32.065 > 73 77 S 0.00950675030407 0.75000000000000 0.88803847628348 32.065 > 73 78 S 0.50950675030407 0.75000000000000 0.88803847628348 32.065 > 73 79 S 0.49049324969593 0.25000000000000 0.11196152371652 32.065 > 79 80 S 0.99049324969593 0.25000000000000 0.11196152371652 32.065 > 79 81 S 0.49049324969593 0.58333333333333 0.11196152371652 32.065 > 79 82 S 0.99049324969593 0.58333333333333 0.11196152371652 32.065 > 79 83 S 0.49049324969593 0.91666666666667 0.11196152371652 32.065 > 79 84 S 0.99049324969593 0.91666666666667 0.11196152371652 32.065 > 79 85 S 0.18891104759294 0.08333333333333 0.03635519722070 32.065 > 85 86 S 0.68891104759294 0.08333333333333 0.03635519722070 32.065 > 85 87 S 0.18891104759294 0.41666666666667 0.03635519722070 32.065 > 85 88 S 0.68891104759294 0.41666666666667 0.03635519722070 32.065 > 85 89 S 0.18891104759294 0.75000000000000 0.03635519722070 32.065 > 85 90 S 0.68891104759294 0.75000000000000 0.03635519722070 32.065 > 85 91 S 0.31108895240706 0.25000000000000 0.96364480277930 32.065 > 91 92 S 0.81108895240706 0.25000000000000 0.96364480277930 32.065 > 91 93 S 0.31108895240706 0.58333333333333 0.96364480277930 32.065 > 91 94 S 0.81108895240706 0.58333333333333 0.96364480277930 32.065 > 91 95 S 0.31108895240706 0.91666666666667 0.96364480277930 32.065 > 91 96 S 0.81108895240706 0.91666666666667 0.96364480277930 32.065 > 91 97 S 0.38491676548166 0.08333333333333 0.22999235270649 32.065 > 97 98 S 0.88491676548166 0.08333333333333 0.22999235270649 32.065 > 97 99 S 0.38491676548166 0.41666666666667 0.22999235270649 32.065 > 97 100 S 0.88491676548166 0.41666666666667 0.22999235270649 32.065 > 97 101 S 0.38491676548166 0.75000000000000 0.22999235270649 32.065 > 97 102 S 0.88491676548166 0.75000000000000 0.22999235270649 32.065 > 97 103 S 0.11508323451834 0.25000000000000 0.77000764729351 32.065 > 103 104 S 0.61508323451834 0.25000000000000 0.77000764729351 32.065 > 103 105 S 0.11508323451834 0.58333333333333 0.77000764729351 32.065 > 103 106 S 0.61508323451834 0.58333333333333 0.77000764729351 32.065 > 103 107 S 0.11508323451834 0.91666666666667 0.77000764729351 32.065 > 103 108 S 0.61508323451834 0.91666666666667 0.77000764729351 32.065 > 103 109 S 0.29197009313119 0.08333333333333 0.40790359591241 32.065 > 109 110 S 0.79197009313119 0.08333333333333 0.40790359591241 32.065 > 109 111 S 0.29197009313119 0.41666666666667 0.40790359591241 32.065 > 109 112 S 0.79197009313119 0.41666666666667 0.40790359591241 32.065 > 109 113 S 0.29197009313119 0.75000000000000 0.40790359591241 32.065 > 109 114 S 0.79197009313119 0.75000000000000 0.40790359591241 32.065 > 109 115 S 0.20802990686881 0.25000000000000 0.59209640408759 32.065 > 115 116 S 0.70802990686881 0.25000000000000 0.59209640408759 32.065 > 115 117 S 0.20802990686881 0.58333333333333 0.59209640408759 32.065 > 115 118 S 0.70802990686881 0.58333333333333 0.59209640408759 32.065 > 115 119 S 0.20802990686881 0.91666666666667 0.59209640408759 32.065 > 115 120 S 0.70802990686881 0.91666666666667 0.59209640408759 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.2241763 0.0000000 -0.0943370 0.0000000 7.5210396 0.0000000 -0.0933072 0.0000000 7.4355089 -------------------------- Born effective charges -------------------------- 1 La 4.0486644 0.0000000 -0.1674674 0.0000000 4.1806477 0.0000000 -0.3291815 0.0000000 4.1054854 2 La 4.0486644 0.0000000 -0.1674674 0.0000000 4.1806477 0.0000000 -0.3291815 0.0000000 4.1054854 3 Er 3.8316306 0.0000000 0.0668711 0.0000000 3.6414325 0.0000000 0.3762717 0.0000000 3.7727384 4 Er 3.0868778 0.0000000 0.2933311 0.0000000 4.3269688 0.0000000 0.0443410 0.0000000 4.6420676 5 Er 3.0868778 0.0000000 0.2933311 0.0000000 4.3269688 0.0000000 0.0443410 0.0000000 4.6420676 6 Er 3.8801949 0.0000000 -0.2903514 0.0000000 4.4589816 0.0000000 -0.1192364 0.0000000 3.4706333 7 Er 3.8801949 0.0000000 -0.2903514 0.0000000 4.4589816 0.0000000 -0.1192364 0.0000000 3.4706333 8 Er 3.8316306 0.0000000 0.0668711 0.0000000 3.6414325 0.0000000 0.3762717 0.0000000 3.7727384 9 S -3.2384744 0.0000000 -0.0115523 0.0000000 -2.4749242 0.0000000 0.0269700 0.0000000 -2.5381921 10 S -3.2384744 0.0000000 -0.0115523 0.0000000 -2.4749242 0.0000000 0.0269700 0.0000000 -2.5381921 11 S -1.8616887 0.0000000 0.1685950 0.0000000 -2.6853058 0.0000000 0.2524962 0.0000000 -3.3059944 12 S -1.8616887 0.0000000 0.1685950 0.0000000 -2.6853058 0.0000000 0.2524962 0.0000000 -3.3059944 13 S -2.5778827 0.0000000 0.4522252 0.0000000 -2.2852659 0.0000000 0.2578451 0.0000000 -2.6343465 14 S -2.5778827 0.0000000 0.4522252 0.0000000 -2.2852659 0.0000000 0.2578451 0.0000000 -2.6343465 15 S -2.3965779 0.0000000 -0.3391258 0.0000000 -2.9982039 0.0000000 -0.3499385 0.0000000 -2.4234591 16 S -2.3965779 0.0000000 -0.3391258 0.0000000 -2.9982039 0.0000000 -0.3499385 0.0000000 -2.4234591 17 S -2.8081805 0.0000000 -0.4022998 0.0000000 -3.1476012 0.0000000 -0.1884518 0.0000000 -2.0992233 18 S -2.8081805 0.0000000 -0.4022998 0.0000000 -3.1476012 0.0000000 -0.1884518 0.0000000 -2.0992233 19 S -1.9645634 0.0000000 0.2297744 0.0000000 -3.0167295 0.0000000 0.0288841 0.0000000 -2.9897092 20 S -1.9645634 0.0000000 0.2297744 0.0000000 -3.0167295 0.0000000 0.0288841 0.0000000 -2.9897092 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 5 13 5 ] 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: 0.54, Number of G-points: 293, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/91) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.321 ( 0.000 0.000 0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.513 ( 0.000 0.000 0.000) 0.000 7.764 ( 0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 8.457 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 9.054 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.855 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 10.207 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/91) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 19.071 0.000 7.977) 20.672 0.438 ( 20.134 0.000 10.085) 22.518 0.872 ( 41.723 0.000 12.165) 43.460 1.281 ( -3.887 0.000 -2.255) 4.494 1.579 ( -3.876 0.000 -9.019) 9.816 1.666 ( -12.614 0.000 -13.801) 18.697 1.694 ( 0.159 0.000 -4.424) 4.427 1.792 ( -3.298 0.000 2.867) 4.370 1.993 ( 0.852 0.000 0.969) 1.290 2.100 ( 0.425 0.000 0.209) 0.474 2.125 ( 4.345 0.000 7.625) 8.776 2.266 ( -10.097 0.000 12.652) 16.187 2.417 ( 4.445 0.000 4.207) 6.121 2.453 ( 0.848 0.000 0.403) 0.939 2.539 ( -0.575 0.000 -0.530) 0.782 2.731 ( -3.065 0.000 -3.046) 4.321 2.994 ( -11.882 0.000 -4.328) 12.645 3.200 ( -4.393 0.000 -20.711) 21.171 3.613 ( 4.567 0.000 1.988) 4.981 3.751 ( -5.218 0.000 17.020) 17.802 3.862 ( 7.391 0.000 2.694) 7.867 3.909 ( 7.760 0.000 -1.387) 7.883 4.055 ( 1.308 0.000 -2.017) 2.403 4.445 ( -0.555 0.000 -1.315) 1.427 5.099 ( -3.431 0.000 -0.848) 3.535 5.283 ( -1.320 0.000 -8.377) 8.480 5.751 ( 1.537 0.000 0.814) 1.739 5.783 ( -3.173 0.000 13.878) 14.237 5.818 ( -0.736 0.000 0.274) 0.786 5.894 ( 1.136 0.000 -3.024) 3.231 6.020 ( -3.741 0.000 -3.978) 5.460 6.061 ( -2.584 0.000 -1.317) 2.900 6.215 ( 3.794 0.000 3.825) 5.387 6.377 ( -0.364 0.000 0.758) 0.841 6.398 ( 1.075 0.000 0.073) 1.077 6.554 ( -1.785 0.000 -1.853) 2.573 6.554 ( 0.632 0.000 2.823) 2.893 6.604 ( 0.124 0.000 0.816) 0.825 6.718 ( 1.821 0.000 6.348) 6.604 6.826 ( 0.031 0.000 -0.359) 0.360 6.840 ( 0.018 0.000 0.273) 0.273 6.854 ( -7.324 0.000 10.845) 13.086 6.920 ( 1.337 0.000 -4.524) 4.718 7.149 ( -3.769 0.000 -4.479) 5.854 7.326 ( 0.385 0.000 0.531) 0.656 7.406 ( -0.585 0.000 -0.780) 0.975 7.433 ( 0.288 0.000 0.341) 0.446 7.443 ( 4.729 0.000 -7.565) 8.921 7.528 ( -0.546 0.000 2.834) 2.886 7.780 ( 1.488 0.000 1.965) 2.465 8.230 ( -3.118 0.000 -3.037) 4.353 8.411 ( 4.410 0.000 -0.558) 4.445 8.541 ( -2.553 0.000 -0.011) 2.553 8.680 ( 2.831 0.000 -0.230) 2.840 8.846 ( -5.481 0.000 13.812) 14.860 9.046 ( 0.572 0.000 -3.843) 3.886 9.358 ( 9.790 0.000 -27.413) 29.109 9.954 ( -0.542 0.000 1.387) 1.489 10.013 ( -5.050 0.000 17.060) 17.792 10.195 ( -1.365 0.000 0.498) 1.453 ======================= Grid point 2 (3/91) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 13.124 0.000 5.666) 14.295 0.857 ( 17.463 0.000 10.442) 20.347 1.147 ( -7.586 0.000 -3.624) 8.407 1.296 ( -14.831 0.000 -12.477) 19.382 1.532 ( 16.623 0.000 -0.481) 16.630 1.680 ( 1.288 0.000 -3.846) 4.056 1.747 ( -2.913 0.000 2.964) 4.156 1.765 ( 29.097 0.000 6.710) 29.861 1.917 ( -18.519 0.000 0.964) 18.544 2.010 ( 0.363 0.000 0.420) 0.555 2.112 ( 0.447 0.000 0.291) 0.534 2.224 ( -1.359 0.000 4.801) 4.989 2.435 ( -20.623 0.000 -7.023) 21.786 2.469 ( 0.454 0.000 0.242) 0.514 2.525 ( -0.376 0.000 -0.368) 0.527 2.692 ( -0.961 0.000 4.610) 4.709 2.784 ( 1.626 0.000 9.801) 9.935 3.012 ( -2.451 0.000 -21.124) 21.266 3.704 ( 5.938 0.000 -6.915) 9.115 3.749 ( -5.656 0.000 14.076) 15.170 3.997 ( 5.248 0.000 -4.587) 6.970 4.051 ( -0.831 0.000 2.883) 3.000 4.073 ( 7.032 0.000 6.004) 9.246 4.383 ( -4.110 0.000 -4.175) 5.859 5.075 ( 1.250 0.000 2.706) 2.980 5.173 ( -4.794 0.000 -5.526) 7.316 5.783 ( 0.742 0.000 0.132) 0.754 5.818 ( 0.207 0.000 4.273) 4.278 5.819 ( 0.745 0.000 1.403) 1.588 5.895 ( 0.646 0.000 -2.543) 2.624 5.936 ( -2.629 0.000 -2.566) 3.674 6.014 ( -1.680 0.000 0.599) 1.783 6.293 ( 2.093 0.000 1.978) 2.879 6.376 ( -0.195 0.000 0.611) 0.641 6.418 ( 0.858 0.000 0.033) 0.859 6.508 ( -1.603 0.000 -1.227) 2.019 6.557 ( -1.014 0.000 1.073) 1.476 6.608 ( -0.032 0.000 0.228) 0.230 6.784 ( -1.964 0.000 1.542) 2.496 6.790 ( 0.438 0.000 2.010) 2.057 6.824 ( 0.009 0.000 -0.175) 0.175 6.841 ( 0.015 0.000 0.124) 0.125 6.960 ( 4.121 0.000 0.571) 4.160 7.053 ( -4.407 0.000 -1.805) 4.762 7.337 ( 0.289 0.000 0.431) 0.519 7.392 ( -0.317 0.000 -0.481) 0.576 7.438 ( 0.080 0.000 0.106) 0.133 7.472 ( 1.802 0.000 -3.809) 4.214 7.522 ( -0.650 0.000 0.982) 1.178 7.838 ( 2.433 0.000 1.743) 2.993 8.145 ( -3.061 0.000 -2.064) 3.692 8.469 ( 0.960 0.000 -0.382) 1.033 8.528 ( 1.131 0.000 0.482) 1.230 8.704 ( 0.438 0.000 -1.318) 1.389 8.838 ( -2.201 0.000 6.138) 6.521 9.033 ( 0.369 0.000 -2.523) 2.549 9.365 ( 2.320 0.000 -6.067) 6.496 9.954 ( -0.101 0.000 0.517) 0.527 10.027 ( -0.853 0.000 4.028) 4.117 10.173 ( -0.975 0.000 0.287) 1.017 ======================= Grid point 5 (4/91) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 21.788 0.000) 21.788 0.475 ( 0.000 24.189 0.000) 24.189 0.874 ( 0.000 43.710 0.000) 43.710 1.452 ( 0.000 12.481 0.000) 12.481 1.694 ( 0.000 1.206 0.000) 1.206 1.803 ( 0.000 -0.705 0.000) 0.705 1.808 ( 0.000 6.449 0.000) 6.449 1.902 ( 0.000 2.177 0.000) 2.177 2.050 ( 0.000 3.720 0.000) 3.720 2.145 ( 0.000 3.646 0.000) 3.646 2.150 ( 0.000 13.612 0.000) 13.612 2.267 ( 0.000 14.678 0.000) 14.678 2.433 ( 0.000 -0.229 0.000) 0.229 2.510 ( 0.000 5.391 0.000) 5.391 2.632 ( 0.000 8.876 0.000) 8.876 2.893 ( 0.000 0.749 0.000) 0.749 3.012 ( 0.000 0.232 0.000) 0.232 3.373 ( 0.000 -0.158 0.000) 0.158 3.544 ( 0.000 1.995 0.000) 1.995 3.761 ( 0.000 0.666 0.000) 0.666 3.767 ( 0.000 -2.888 0.000) 2.888 3.796 ( 0.000 0.997 0.000) 0.997 4.023 ( 0.000 -1.951 0.000) 1.951 4.404 ( 0.000 -4.747 0.000) 4.747 5.132 ( 0.000 -1.362 0.000) 1.362 5.248 ( 0.000 -2.265 0.000) 2.265 5.505 ( 0.000 1.031 0.000) 1.031 5.814 ( 0.000 -4.299 0.000) 4.299 5.888 ( 0.000 5.794 0.000) 5.794 6.008 ( 0.000 -4.230 0.000) 4.230 6.170 ( 0.000 3.475 0.000) 3.475 6.185 ( 0.000 2.616 0.000) 2.616 6.311 ( 0.000 2.892 0.000) 2.892 6.359 ( 0.000 -1.782 0.000) 1.782 6.437 ( 0.000 4.043 0.000) 4.043 6.522 ( 0.000 2.091 0.000) 2.091 6.599 ( 0.000 3.133 0.000) 3.133 6.631 ( 0.000 3.628 0.000) 3.628 6.812 ( 0.000 -1.307 0.000) 1.307 6.841 ( 0.000 0.687 0.000) 0.687 6.896 ( 0.000 2.045 0.000) 2.045 6.931 ( 0.000 -0.085 0.000) 0.085 6.947 ( 0.000 2.389 0.000) 2.389 7.195 ( 0.000 -1.275 0.000) 1.275 7.234 ( 0.000 -5.097 0.000) 5.097 7.382 ( 0.000 3.968 0.000) 3.968 7.438 ( 0.000 1.772 0.000) 1.772 7.526 ( 0.000 1.173 0.000) 1.173 7.582 ( 0.000 8.089 0.000) 8.089 7.749 ( 0.000 -1.338 0.000) 1.338 8.273 ( 0.000 -2.017 0.000) 2.017 8.493 ( 0.000 3.622 0.000) 3.622 8.594 ( 0.000 -3.381 0.000) 3.381 8.648 ( 0.000 -4.182 0.000) 4.182 9.034 ( 0.000 -1.960 0.000) 1.960 9.083 ( 0.000 -2.479 0.000) 2.479 9.158 ( 0.000 -1.407 0.000) 1.407 9.822 ( 0.000 -3.355 0.000) 3.355 9.920 ( 0.000 -3.541 0.000) 3.541 10.150 ( 0.000 -5.683 0.000) 5.683 ======================= Grid point 6 (5/91) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 13.466 17.288 3.116) 22.134 0.691 ( 17.669 15.704 5.312) 24.228 1.162 ( 24.204 28.826 9.371) 38.790 1.416 ( -3.312 12.506 -1.598) 13.035 1.591 ( -3.493 1.661 -8.691) 9.513 1.652 ( -7.334 2.016 -9.908) 12.491 1.809 ( -2.162 8.065 1.673) 8.516 1.892 ( -2.759 9.119 -4.566) 10.564 2.041 ( 0.229 3.825 3.863) 5.441 2.107 ( 1.282 0.988 3.703) 4.041 2.252 ( -1.308 11.779 0.750) 11.875 2.305 ( -8.476 4.097 8.175) 12.469 2.452 ( 6.730 3.741 6.233) 9.907 2.506 ( 0.417 5.084 -0.752) 5.157 2.640 ( 0.173 10.089 2.239) 10.336 2.756 ( -3.786 2.854 -2.803) 5.508 3.014 ( -7.845 1.930 -6.123) 10.136 3.204 ( -5.618 0.628 -17.458) 18.350 3.609 ( 4.166 0.309 2.949) 5.113 3.739 ( -4.737 -1.114 14.653) 15.440 3.856 ( 7.909 -0.449 -3.257) 8.565 3.887 ( 6.019 -1.849 3.566) 7.236 4.036 ( 1.287 -1.840 -1.676) 2.802 4.395 ( -0.759 -5.060 -1.573) 5.353 5.084 ( -3.573 -1.020 0.218) 3.722 5.234 ( -1.930 -3.531 -3.636) 5.423 5.571 ( 3.969 -2.630 4.460) 6.524 5.796 ( -1.880 -4.070 1.316) 4.672 5.887 ( -0.190 5.806 0.432) 5.825 5.970 ( -2.086 -2.048 -2.399) 3.782 6.166 ( -1.112 7.069 -1.008) 7.227 6.192 ( -5.345 10.241 -3.650) 12.115 6.224 ( 2.008 0.143 1.934) 2.792 6.368 ( 0.133 -0.998 1.061) 1.463 6.436 ( -0.221 3.577 0.575) 3.629 6.565 ( 1.021 0.844 0.692) 1.495 6.588 ( 0.751 3.288 -0.713) 3.447 6.629 ( -0.989 3.538 2.779) 4.606 6.804 ( -1.547 -1.465 1.028) 2.366 6.829 ( -0.943 3.862 -2.184) 4.537 6.865 ( -6.098 0.798 6.649) 9.057 6.869 ( -1.861 5.344 2.046) 6.018 6.921 ( 0.695 0.693 -1.411) 1.718 7.138 ( -3.336 -0.838 -2.212) 4.089 7.277 ( 2.956 -3.218 -1.413) 4.593 7.419 ( 2.146 1.874 -1.715) 3.325 7.448 ( 1.361 2.180 -0.417) 2.604 7.499 ( 0.194 4.289 -5.902) 7.298 7.555 ( -2.392 2.431 2.604) 4.291 7.782 ( 2.055 0.508 2.465) 3.249 8.251 ( -2.151 0.394 -3.185) 3.864 8.443 ( 0.595 1.034 -1.622) 2.013 8.586 ( -4.882 0.646 -0.051) 4.925 8.665 ( 3.168 -1.193 1.389) 3.659 8.855 ( -10.049 0.931 10.817) 14.794 9.027 ( 0.579 -1.830 -3.775) 4.235 9.299 ( 9.475 -4.766 -18.615) 21.424 9.911 ( 0.626 -7.050 12.368) 14.250 9.919 ( -0.226 -3.599 0.753) 3.683 10.133 ( -1.390 -5.856 -0.385) 6.031 ======================= Grid point 7 (6/91) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 15.913 10.522 4.889) 19.693 1.023 ( 13.017 15.422 8.620) 21.945 1.238 ( -9.974 10.327 -4.505) 15.047 1.350 ( -11.501 6.718 -11.084) 17.329 1.613 ( 9.744 6.030 -2.835) 11.805 1.772 ( 4.170 6.876 3.451) 8.751 1.815 ( 16.837 7.467 7.717) 19.970 1.829 ( 0.611 8.259 -6.423) 10.480 1.932 ( -14.207 4.352 3.043) 15.167 2.126 ( 1.332 7.624 2.538) 8.145 2.203 ( 1.869 6.493 -0.054) 6.757 2.246 ( -2.913 5.126 3.044) 6.635 2.467 ( -9.211 4.573 -4.956) 11.416 2.559 ( -4.723 7.265 0.935) 8.716 2.651 ( -0.413 12.052 0.347) 12.064 2.711 ( -2.006 2.590 1.759) 3.719 2.818 ( 0.434 3.794 9.292) 10.046 3.026 ( -2.113 1.646 -19.562) 19.744 3.697 ( 5.450 -1.227 -6.054) 8.238 3.734 ( -5.292 -0.899 13.184) 14.235 3.964 ( 4.771 -2.650 -4.327) 6.964 4.033 ( 1.114 -2.407 -2.173) 3.429 4.051 ( 4.801 -1.508 10.212) 11.385 4.333 ( -3.793 -5.089 -4.176) 7.598 5.058 ( 0.688 -1.346 2.437) 2.868 5.140 ( -4.355 -2.839 -4.149) 6.652 5.652 ( 2.086 -5.319 1.341) 5.868 5.777 ( -0.908 -3.780 1.185) 4.064 5.887 ( -0.038 7.152 0.507) 7.170 5.929 ( -0.907 -0.395 -1.132) 1.503 6.114 ( -0.691 10.536 -2.080) 10.762 6.135 ( -1.641 10.328 0.284) 10.462 6.264 ( 0.443 -2.617 1.248) 2.933 6.389 ( 0.817 -0.518 1.244) 1.576 6.435 ( 0.234 3.409 -0.448) 3.446 6.552 ( -0.268 3.968 -0.720) 4.042 6.611 ( 1.120 2.001 -2.519) 3.407 6.622 ( -1.996 2.805 3.955) 5.244 6.760 ( -2.822 -1.829 1.879) 3.852 6.797 ( -0.907 3.112 -0.604) 3.297 6.850 ( 0.803 1.134 -0.402) 1.446 6.872 ( 0.174 3.422 0.903) 3.544 6.962 ( 3.760 0.333 1.606) 4.102 7.056 ( -4.372 0.208 -1.423) 4.602 7.306 ( 0.893 -2.128 -0.569) 2.377 7.428 ( 0.009 2.445 -0.009) 2.445 7.462 ( 0.156 3.237 0.158) 3.245 7.476 ( 0.290 0.989 -3.479) 3.628 7.545 ( 0.204 2.297 0.230) 2.318 7.840 ( 1.980 0.219 1.821) 2.699 8.179 ( -2.484 2.864 -2.091) 4.329 8.483 ( 2.731 -1.828 -0.577) 3.337 8.519 ( -2.421 0.765 0.562) 2.601 8.694 ( 0.322 -0.615 -1.097) 1.298 8.807 ( -2.279 -2.913 5.496) 6.624 9.015 ( 0.302 -1.754 -2.208) 2.836 9.326 ( 2.324 -3.610 -5.253) 6.784 9.920 ( -0.066 -3.456 0.410) 3.481 9.969 ( 0.178 -5.393 4.157) 6.811 10.105 ( -1.027 -6.483 -0.370) 6.575 ======================= Grid point 10 (7/91) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 21.722 0.000) 21.722 0.941 ( 0.000 23.257 0.000) 23.257 1.658 ( 0.000 31.951 0.000) 31.951 1.726 ( 0.000 7.348 0.000) 7.348 1.805 ( 0.000 19.131 0.000) 19.131 1.817 ( 0.000 2.315 0.000) 2.315 1.952 ( 0.000 9.132 0.000) 9.132 1.957 ( 0.000 3.329 0.000) 3.329 2.164 ( 0.000 7.230 0.000) 7.230 2.255 ( 0.000 7.275 0.000) 7.275 2.430 ( 0.000 -0.034 0.000) 0.034 2.456 ( 0.000 16.611 0.000) 16.611 2.553 ( 0.000 12.264 0.000) 12.264 2.638 ( 0.000 7.107 0.000) 7.107 2.855 ( 0.000 5.853 0.000) 5.853 2.951 ( 0.000 12.249 0.000) 12.249 3.012 ( 0.000 -0.692 0.000) 0.692 3.377 ( 0.000 1.180 0.000) 1.180 3.614 ( 0.000 5.133 0.000) 5.133 3.704 ( 0.000 -2.408 0.000) 2.408 3.791 ( 0.000 2.712 0.000) 2.712 3.831 ( 0.000 2.651 0.000) 2.651 3.981 ( 0.000 -1.899 0.000) 1.899 4.265 ( 0.000 -9.360 0.000) 9.360 5.099 ( 0.000 -1.919 0.000) 1.919 5.196 ( 0.000 -2.701 0.000) 2.701 5.543 ( 0.000 2.836 0.000) 2.836 5.723 ( 0.000 -4.013 0.000) 4.013 5.938 ( 0.000 -2.911 0.000) 2.911 6.019 ( 0.000 5.633 0.000) 5.633 6.199 ( 0.000 -0.469 0.000) 0.469 6.213 ( 0.000 1.545 0.000) 1.545 6.319 ( 0.000 -2.040 0.000) 2.040 6.395 ( 0.000 4.190 0.000) 4.190 6.491 ( 0.000 0.607 0.000) 0.607 6.607 ( 0.000 5.237 0.000) 5.237 6.649 ( 0.000 1.750 0.000) 1.750 6.692 ( 0.000 2.016 0.000) 2.016 6.796 ( 0.000 0.738 0.000) 0.738 6.877 ( 0.000 3.413 0.000) 3.413 6.938 ( 0.000 1.022 0.000) 1.022 6.963 ( 0.000 4.685 0.000) 4.685 7.012 ( 0.000 3.599 0.000) 3.599 7.170 ( 0.000 -1.423 0.000) 1.423 7.183 ( 0.000 0.455 0.000) 0.455 7.472 ( 0.000 4.717 0.000) 4.717 7.507 ( 0.000 5.339 0.000) 5.339 7.549 ( 0.000 0.829 0.000) 0.829 7.726 ( 0.000 -0.288 0.000) 0.288 7.742 ( 0.000 7.996 0.000) 7.996 8.205 ( 0.000 -4.984 0.000) 4.984 8.500 ( 0.000 -6.110 0.000) 6.110 8.527 ( 0.000 -6.669 0.000) 6.669 8.597 ( 0.000 5.526 0.000) 5.526 8.979 ( 0.000 -3.666 0.000) 3.666 9.023 ( 0.000 -3.289 0.000) 3.289 9.119 ( 0.000 -2.430 0.000) 2.430 9.730 ( 0.000 -5.773 0.000) 5.773 9.825 ( 0.000 -5.824 0.000) 5.824 9.998 ( 0.000 -9.445 0.000) 9.445 ======================= Grid point 11 (8/91) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 10.696 18.641 2.791) 21.672 1.018 ( 10.151 19.210 1.318) 21.767 1.638 ( -3.417 5.934 -7.813) 10.389 1.679 ( -6.967 9.872 -4.325) 12.833 1.731 ( 3.268 16.974 -0.401) 17.290 1.865 ( 5.234 27.054 0.835) 27.568 1.971 ( -1.383 8.021 5.998) 10.111 2.060 ( 5.392 4.998 2.477) 7.758 2.130 ( -0.926 7.025 -3.250) 7.796 2.177 ( -7.252 7.272 3.360) 10.806 2.396 ( -3.202 4.174 0.913) 5.339 2.502 ( -3.918 11.851 -1.534) 12.576 2.548 ( 2.046 5.386 7.966) 9.831 2.659 ( 4.079 11.075 -2.418) 12.047 2.819 ( -1.462 5.143 1.795) 5.640 2.938 ( -1.703 16.461 3.878) 16.997 3.046 ( 2.791 0.595 -11.078) 11.440 3.253 ( -7.900 5.823 -7.078) 12.100 3.630 ( 0.578 1.731 2.573) 3.154 3.717 ( -0.679 -0.577 4.456) 4.545 3.847 ( 5.190 0.333 -1.892) 5.534 3.868 ( 2.704 0.308 5.383) 6.032 3.996 ( 1.396 -1.753 -0.840) 2.393 4.250 ( -1.122 -9.571 -1.974) 9.836 5.063 ( -3.102 -1.149 0.622) 3.365 5.164 ( -3.056 -3.350 -1.697) 4.842 5.568 ( 1.721 1.589 1.482) 2.772 5.716 ( -1.045 -3.417 1.373) 3.828 5.916 ( -1.160 -1.374 0.162) 1.805 6.044 ( 1.809 6.613 -1.638) 7.049 6.199 ( 0.355 -1.626 0.857) 1.872 6.238 ( 0.637 0.945 1.014) 1.526 6.313 ( 0.972 -0.252 -2.251) 2.464 6.376 ( -2.078 4.866 1.756) 5.575 6.486 ( -0.103 0.706 -0.953) 1.190 6.612 ( -0.302 2.880 0.247) 2.907 6.652 ( 0.223 2.164 0.767) 2.307 6.702 ( 0.760 2.912 0.531) 3.056 6.780 ( -1.627 0.990 -0.399) 1.946 6.868 ( -0.172 1.946 -1.986) 2.786 6.891 ( -3.710 2.407 3.877) 5.881 6.963 ( -0.296 3.821 0.464) 3.860 7.006 ( -1.267 6.135 1.280) 6.394 7.128 ( -2.295 0.052 -0.994) 2.502 7.243 ( 3.672 -0.145 -0.757) 3.752 7.478 ( 0.542 4.101 -0.546) 4.172 7.518 ( 0.479 3.966 -2.455) 4.689 7.549 ( 1.751 1.351 -1.212) 2.523 7.635 ( -3.167 5.369 -1.989) 6.543 7.818 ( 2.006 3.548 3.265) 5.223 8.215 ( 1.050 -4.244 -1.123) 4.514 8.445 ( -1.225 -1.688 -4.755) 5.193 8.522 ( -1.889 -5.928 1.552) 6.412 8.648 ( 2.238 0.704 3.871) 4.526 8.861 ( -12.048 -0.837 7.853) 14.405 8.980 ( 1.027 -2.806 -5.171) 5.972 9.205 ( 6.988 -4.516 -9.455) 12.595 9.770 ( 1.618 -7.389 5.417) 9.304 9.827 ( -0.044 -5.642 0.894) 5.712 9.980 ( -1.606 -9.397 -0.517) 9.547 ======================= Grid point 12 (9/91) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 10.568 15.333 4.323) 19.117 1.293 ( 12.086 13.295 2.952) 18.208 1.441 ( -10.385 9.839 -6.285) 15.626 1.607 ( -2.628 14.692 -3.231) 15.271 1.738 ( 3.298 8.089 -3.839) 9.542 1.873 ( -8.555 4.770 0.982) 9.844 2.009 ( 1.152 9.366 3.196) 9.963 2.071 ( -0.908 11.765 -1.880) 11.949 2.114 ( 1.888 14.027 1.258) 14.210 2.232 ( 7.197 6.566 5.277) 11.079 2.343 ( -3.048 7.237 0.344) 7.860 2.432 ( -2.103 10.739 -0.884) 10.979 2.601 ( 1.617 8.056 3.572) 8.959 2.704 ( -1.409 8.295 -1.204) 8.499 2.831 ( -0.215 9.277 0.449) 9.291 2.930 ( -2.858 10.277 -4.539) 11.593 2.955 ( -1.758 12.059 7.169) 14.138 3.110 ( -0.876 10.300 -11.404) 15.392 3.660 ( 0.907 -1.648 0.819) 2.052 3.723 ( -1.127 -0.765 3.290) 3.561 3.925 ( 3.034 -0.612 -0.022) 3.095 3.964 ( 3.638 -3.681 -2.312) 5.668 4.022 ( 1.153 -1.544 6.944) 7.206 4.189 ( -3.069 -9.290 -4.355) 10.709 5.032 ( -0.212 -1.239 1.649) 2.074 5.081 ( -3.621 -2.804 -2.352) 5.148 5.602 ( 0.893 -0.181 0.397) 0.994 5.710 ( -0.460 -2.684 1.210) 2.979 5.910 ( 0.134 -0.419 0.171) 0.472 6.054 ( 0.423 7.781 -0.885) 7.843 6.203 ( -0.392 -3.060 0.612) 3.145 6.239 ( -0.463 0.758 0.187) 0.908 6.307 ( -0.764 8.542 -0.709) 8.605 6.394 ( 2.049 0.099 1.639) 2.626 6.481 ( 0.947 0.851 -1.964) 2.341 6.607 ( -0.043 1.302 -0.049) 1.304 6.628 ( -3.103 0.112 0.861) 3.222 6.718 ( -0.175 1.505 1.658) 2.246 6.741 ( -1.120 5.146 -1.082) 5.377 6.874 ( 1.067 3.089 0.541) 3.313 6.884 ( 0.615 2.595 -0.114) 2.669 6.967 ( 0.367 3.357 0.372) 3.398 6.999 ( 0.687 5.627 1.052) 5.765 7.064 ( -3.980 1.106 -0.573) 4.170 7.285 ( 1.242 0.074 -0.428) 1.316 7.480 ( -0.296 2.284 0.282) 2.321 7.491 ( -0.709 2.635 -1.135) 2.956 7.562 ( 0.178 4.377 -1.657) 4.683 7.633 ( 2.451 7.431 -1.110) 7.903 7.851 ( -0.073 1.124 2.070) 2.356 8.214 ( -0.124 -0.801 -1.205) 1.452 8.422 ( 0.579 -2.907 -1.498) 3.321 8.495 ( -1.366 -3.975 0.653) 4.254 8.690 ( 0.362 -0.245 0.293) 0.526 8.744 ( -3.981 -2.731 3.776) 6.129 8.968 ( 0.275 -2.823 -1.937) 3.435 9.243 ( 2.035 -4.385 -3.642) 6.052 9.818 ( 0.298 -7.309 1.529) 7.473 9.847 ( 1.256 -6.155 2.186) 6.651 9.941 ( -1.672 -9.734 -0.976) 9.925 ======================= Grid point 15 (10/91) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 19.180 0.000) 19.180 1.374 ( 0.000 20.759 0.000) 20.759 1.828 ( 0.000 4.983 0.000) 4.983 1.890 ( 0.000 4.969 0.000) 4.969 2.033 ( 0.000 4.333 0.000) 4.333 2.061 ( 0.000 7.864 0.000) 7.864 2.065 ( 0.000 15.047 0.000) 15.047 2.302 ( 0.000 6.216 0.000) 6.216 2.318 ( 0.000 9.525 0.000) 9.525 2.430 ( 0.000 7.083 0.000) 7.083 2.477 ( 0.000 13.999 0.000) 13.999 2.716 ( 0.000 3.485 0.000) 3.485 2.732 ( 0.000 8.568 0.000) 8.568 2.790 ( 0.000 9.212 0.000) 9.212 2.899 ( 0.000 5.494 0.000) 5.494 2.970 ( 0.000 -2.953 0.000) 2.953 3.235 ( 0.000 8.933 0.000) 8.933 3.456 ( 0.000 7.462 0.000) 7.462 3.687 ( 0.000 4.673 0.000) 4.673 3.801 ( 0.000 11.596 0.000) 11.596 3.865 ( 0.000 3.957 0.000) 3.957 3.899 ( 0.000 4.104 0.000) 4.104 3.983 ( 0.000 3.540 0.000) 3.540 4.053 ( 0.000 -10.716 0.000) 10.716 5.064 ( 0.000 -1.473 0.000) 1.473 5.152 ( 0.000 -1.694 0.000) 1.694 5.609 ( 0.000 3.632 0.000) 3.632 5.668 ( 0.000 -1.537 0.000) 1.537 5.898 ( 0.000 -0.986 0.000) 0.986 6.085 ( 0.000 1.966 0.000) 1.966 6.182 ( 0.000 -1.212 0.000) 1.212 6.247 ( 0.000 1.122 0.000) 1.122 6.290 ( 0.000 -0.528 0.000) 0.528 6.402 ( 0.000 -2.805 0.000) 2.805 6.520 ( 0.000 2.751 0.000) 2.751 6.664 ( 0.000 -0.211 0.000) 0.211 6.685 ( 0.000 2.771 0.000) 2.771 6.714 ( 0.000 1.130 0.000) 1.130 6.846 ( 0.000 3.363 0.000) 3.363 6.948 ( 0.000 1.977 0.000) 1.977 6.992 ( 0.000 4.886 0.000) 4.886 7.029 ( 0.000 0.936 0.000) 0.936 7.102 ( 0.000 6.234 0.000) 6.234 7.136 ( 0.000 -1.691 0.000) 1.691 7.237 ( 0.000 3.916 0.000) 3.916 7.513 ( 0.000 -1.537 0.000) 1.537 7.577 ( 0.000 2.857 0.000) 2.857 7.628 ( 0.000 5.888 0.000) 5.888 7.768 ( 0.000 4.650 0.000) 4.650 7.888 ( 0.000 6.457 0.000) 6.457 8.084 ( 0.000 -6.706 0.000) 6.706 8.364 ( 0.000 -7.445 0.000) 7.445 8.385 ( 0.000 -6.706 0.000) 6.706 8.724 ( 0.000 6.887 0.000) 6.887 8.892 ( 0.000 -5.112 0.000) 5.112 8.968 ( 0.000 -2.099 0.000) 2.099 9.067 ( 0.000 -2.762 0.000) 2.762 9.607 ( 0.000 -6.566 0.000) 6.566 9.700 ( 0.000 -6.969 0.000) 6.969 9.801 ( 0.000 -10.123 0.000) 10.123 ======================= Grid point 16 (11/91) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 8.913 16.809 1.476) 19.083 1.406 ( 3.308 19.113 0.734) 19.411 1.755 ( -2.178 6.629 -5.975) 9.186 1.844 ( -4.242 8.332 -3.308) 9.918 2.040 ( -3.110 11.866 -1.445) 12.352 2.057 ( 2.131 4.612 3.666) 6.265 2.164 ( 3.798 6.197 7.857) 10.704 2.192 ( -7.759 5.195 -0.514) 9.351 2.348 ( 1.691 8.401 -8.432) 12.023 2.417 ( -1.432 11.760 2.817) 12.177 2.473 ( 0.984 6.606 -0.042) 6.679 2.646 ( -6.074 6.212 3.346) 9.310 2.738 ( 0.316 13.939 6.682) 15.461 2.861 ( 5.045 1.528 -3.996) 6.615 2.920 ( 3.927 8.993 -4.621) 10.847 3.016 ( 2.290 -0.046 -0.629) 2.376 3.221 ( -1.197 8.680 5.477) 10.333 3.447 ( -0.400 11.829 -3.639) 12.382 3.668 ( -1.815 3.320 0.987) 3.910 3.775 ( -1.543 7.418 -2.302) 7.919 3.876 ( 0.933 0.143 -0.615) 1.127 3.925 ( 0.923 7.467 5.288) 9.196 3.998 ( 1.849 3.291 -1.603) 4.101 4.042 ( -0.739 -9.882 -1.265) 9.990 5.040 ( -2.314 -1.120 0.351) 2.594 5.114 ( -3.431 -1.654 -0.866) 3.906 5.617 ( 0.809 3.125 -0.071) 3.228 5.673 ( -0.071 -0.856 1.627) 1.839 5.901 ( 0.383 0.021 0.193) 0.430 6.122 ( 2.881 1.421 -0.193) 3.218 6.177 ( -0.640 -0.487 0.143) 0.817 6.245 ( -0.829 -0.174 2.209) 2.366 6.286 ( 1.434 -0.707 -1.528) 2.212 6.434 ( 2.176 -1.089 0.427) 2.471 6.507 ( -1.067 2.989 -0.553) 3.221 6.651 ( -1.970 1.082 -2.130) 3.096 6.660 ( -1.267 -1.012 1.440) 2.168 6.720 ( -0.475 1.212 0.499) 1.394 6.845 ( 0.428 3.172 -0.872) 3.317 6.919 ( -1.747 2.370 1.303) 3.219 6.973 ( -0.878 5.131 -0.121) 5.207 7.030 ( -1.532 2.495 0.552) 2.980 7.095 ( 0.610 2.408 -0.907) 2.644 7.147 ( -0.157 2.749 0.059) 2.754 7.271 ( 2.139 2.735 1.441) 3.759 7.513 ( -0.592 -2.229 0.699) 2.410 7.565 ( -0.525 4.087 0.339) 4.134 7.643 ( 3.093 5.834 -5.407) 8.535 7.754 ( 0.365 6.783 -1.385) 6.933 7.909 ( -0.225 4.579 3.417) 5.718 8.102 ( 1.678 -6.230 0.221) 6.455 8.359 ( 0.932 -6.370 -3.738) 7.445 8.388 ( -0.670 -7.019 1.962) 7.319 8.715 ( -1.271 5.363 1.323) 5.668 8.816 ( -9.753 -3.696 7.733) 12.983 8.932 ( 1.031 -1.741 -6.795) 7.090 9.128 ( 4.833 -3.361 -3.775) 6.994 9.623 ( 0.959 -7.503 1.929) 7.806 9.705 ( 0.364 -6.912 0.539) 6.943 9.787 ( -1.351 -9.653 -0.117) 9.748 ======================= Grid point 17 (12/91) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 5.686 15.143 3.199) 16.489 1.549 ( 9.164 12.372 0.650) 15.410 1.657 ( -4.402 12.060 -4.033) 13.457 1.817 ( 3.107 8.319 -0.583) 8.899 1.920 ( -6.471 8.276 -2.904) 10.899 1.974 ( -9.208 5.510 -0.998) 10.777 2.153 ( 0.529 6.290 2.937) 6.962 2.267 ( 1.305 6.823 6.699) 9.650 2.317 ( 1.812 9.464 -6.260) 11.491 2.407 ( -1.028 4.861 -0.720) 5.021 2.490 ( 0.463 9.870 -0.139) 9.882 2.580 ( -2.346 4.051 1.102) 4.810 2.818 ( 3.660 14.461 3.925) 15.425 2.921 ( -0.702 10.516 -1.286) 10.618 2.928 ( 1.606 0.762 0.372) 1.816 3.018 ( 0.080 2.078 -1.951) 2.852 3.270 ( 1.614 17.326 1.922) 17.507 3.407 ( -0.660 12.571 -2.383) 12.812 3.655 ( -0.287 2.023 1.741) 2.685 3.716 ( -2.624 1.864 -1.874) 3.724 3.911 ( 2.762 -5.321 -1.273) 6.129 3.965 ( -0.497 6.849 4.462) 8.190 4.008 ( -2.121 -2.777 2.907) 4.545 4.022 ( 2.123 0.562 -5.473) 5.897 5.006 ( -1.093 -1.317 0.335) 1.744 5.046 ( -2.426 -0.739 -0.691) 2.629 5.632 ( 0.684 2.956 -0.087) 3.036 5.679 ( -0.222 -0.390 0.983) 1.081 5.912 ( 0.476 0.722 0.185) 0.884 6.149 ( 0.943 0.395 -1.405) 1.737 6.161 ( -1.395 0.158 1.343) 1.943 6.251 ( -0.290 1.541 1.100) 1.916 6.348 ( 5.351 -2.444 0.103) 5.884 6.457 ( -0.834 4.216 0.589) 4.338 6.475 ( -1.376 -0.794 -1.646) 2.288 6.609 ( -1.135 -1.014 -0.636) 1.650 6.626 ( -2.055 0.604 -0.020) 2.142 6.706 ( -0.701 -0.687 0.504) 1.104 6.858 ( 0.931 3.878 -0.333) 4.002 6.928 ( 0.914 2.047 1.369) 2.627 6.976 ( 0.881 6.156 -0.579) 6.246 7.000 ( -0.755 1.096 0.837) 1.572 7.087 ( -1.620 2.556 -1.854) 3.549 7.123 ( -1.263 3.859 0.995) 4.181 7.309 ( 1.014 2.596 0.599) 2.851 7.500 ( -0.633 0.051 0.201) 0.667 7.572 ( 0.379 4.208 0.444) 4.248 7.655 ( 0.942 5.527 -2.466) 6.124 7.795 ( 4.939 7.931 -3.192) 9.874 7.895 ( -3.660 3.258 3.738) 6.162 8.134 ( 1.231 -5.711 0.131) 5.844 8.355 ( 0.728 -5.275 -2.433) 5.854 8.383 ( -0.767 -6.834 1.293) 6.998 8.690 ( -2.766 -0.522 1.129) 3.033 8.715 ( -2.563 0.940 2.067) 3.424 8.917 ( 0.309 -2.019 -2.094) 2.925 9.170 ( 1.704 -2.935 -1.924) 3.901 9.654 ( 0.762 -8.840 1.471) 8.994 9.720 ( 1.070 -8.018 0.030) 8.090 9.755 ( -1.792 -7.757 -0.123) 7.962 ======================= Grid point 20 (13/91) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 14.995 0.000) 14.995 1.742 ( 0.000 16.651 0.000) 16.651 1.917 ( 0.000 3.798 0.000) 3.798 2.000 ( 0.000 5.906 0.000) 5.906 2.119 ( 0.000 4.101 0.000) 4.101 2.193 ( 0.000 5.679 0.000) 5.679 2.287 ( 0.000 6.497 0.000) 6.497 2.357 ( 0.000 -0.591 0.000) 0.591 2.393 ( 0.000 3.200 0.000) 3.200 2.515 ( 0.000 3.462 0.000) 3.462 2.683 ( 0.000 -3.832 0.000) 3.832 2.708 ( 0.000 6.047 0.000) 6.047 2.821 ( 0.000 1.877 0.000) 1.877 2.822 ( 0.000 -4.942 0.000) 4.942 3.030 ( 0.000 2.751 0.000) 2.751 3.113 ( 0.000 13.997 0.000) 13.997 3.320 ( 0.000 4.119 0.000) 4.119 3.568 ( 0.000 -5.113 0.000) 5.113 3.796 ( 0.000 5.057 0.000) 5.057 3.822 ( 0.000 1.086 0.000) 1.086 4.006 ( 0.000 9.657 0.000) 9.657 4.039 ( 0.000 11.115 0.000) 11.115 4.071 ( 0.000 8.555 0.000) 8.555 4.187 ( 0.000 16.140 0.000) 16.140 5.045 ( 0.000 -0.489 0.000) 0.489 5.129 ( 0.000 -0.779 0.000) 0.779 5.668 ( 0.000 1.530 0.000) 1.530 5.673 ( 0.000 2.691 0.000) 2.691 5.908 ( 0.000 2.170 0.000) 2.170 6.129 ( 0.000 2.728 0.000) 2.728 6.152 ( 0.000 -1.651 0.000) 1.651 6.241 ( 0.000 -0.975 0.000) 0.975 6.300 ( 0.000 0.872 0.000) 0.872 6.371 ( 0.000 0.404 0.000) 0.404 6.550 ( 0.000 0.325 0.000) 0.325 6.639 ( 0.000 -2.326 0.000) 2.326 6.731 ( 0.000 2.156 0.000) 2.156 6.756 ( 0.000 2.741 0.000) 2.741 6.904 ( 0.000 2.341 0.000) 2.341 6.970 ( 0.000 0.010 0.000) 0.010 7.016 ( 0.000 -2.331 0.000) 2.331 7.020 ( 0.000 -1.422 0.000) 1.422 7.156 ( 0.000 3.356 0.000) 3.356 7.223 ( 0.000 5.558 0.000) 5.558 7.306 ( 0.000 2.971 0.000) 2.971 7.463 ( 0.000 -2.822 0.000) 2.822 7.624 ( 0.000 1.680 0.000) 1.680 7.695 ( 0.000 0.202 0.000) 0.202 7.868 ( 0.000 -7.573 0.000) 7.573 7.876 ( 0.000 5.220 0.000) 5.220 8.087 ( 0.000 6.934 0.000) 6.934 8.223 ( 0.000 -6.419 0.000) 6.419 8.291 ( 0.000 -2.726 0.000) 2.726 8.782 ( 0.000 -6.121 0.000) 6.121 8.859 ( 0.000 6.840 0.000) 6.840 8.945 ( 0.000 -0.314 0.000) 0.314 9.016 ( 0.000 -2.419 0.000) 2.419 9.486 ( 0.000 -5.406 0.000) 5.406 9.547 ( 0.000 -8.636 0.000) 8.636 9.629 ( 0.000 -7.094 0.000) 7.094 ======================= Grid point 21 (14/91) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 5.482 13.309 0.520) 14.403 1.744 ( 0.340 15.050 0.321) 15.057 1.886 ( -0.412 6.421 -2.793) 7.015 1.999 ( -1.724 6.962 -1.894) 7.418 2.100 ( -1.023 2.657 1.043) 3.032 2.220 ( -3.626 3.730 1.860) 5.525 2.276 ( -1.833 5.849 3.115) 6.876 2.297 ( -0.379 4.917 -1.076) 5.047 2.418 ( 2.593 -0.125 -3.198) 4.119 2.516 ( 1.360 3.049 -4.505) 5.607 2.598 ( -4.275 4.527 4.862) 7.900 2.735 ( -5.854 2.064 7.453) 9.699 2.793 ( 3.489 -3.915 -3.682) 6.408 2.916 ( 6.773 -3.618 -3.764) 8.551 3.067 ( 1.832 12.812 3.593) 13.432 3.168 ( 4.174 7.269 -2.077) 8.635 3.257 ( -2.829 -1.463 0.515) 3.226 3.600 ( 0.231 -3.355 0.550) 3.407 3.765 ( -0.971 4.773 -0.824) 4.940 3.823 ( -0.094 4.193 -0.515) 4.226 3.958 ( -3.115 9.106 1.019) 9.678 4.001 ( -4.592 6.250 0.619) 7.780 4.124 ( 4.201 11.824 0.403) 12.555 4.209 ( 2.042 16.372 -1.539) 16.571 5.025 ( -1.758 -0.221 -0.152) 1.778 5.096 ( -2.983 -0.345 -0.400) 3.029 5.678 ( 0.751 2.860 -0.151) 2.961 5.682 ( 0.826 1.762 1.143) 2.256 5.922 ( 1.160 2.197 0.178) 2.491 6.150 ( 1.061 2.086 1.323) 2.689 6.161 ( 0.526 -1.086 0.681) 1.385 6.237 ( 0.289 -0.278 0.464) 0.614 6.291 ( -0.331 0.788 -0.361) 0.928 6.406 ( 3.113 -0.889 -0.448) 3.268 6.531 ( -2.033 -1.187 -0.774) 2.478 6.630 ( -1.536 -0.466 2.653) 3.101 6.696 ( -1.609 2.002 -3.007) 3.955 6.749 ( -1.478 1.999 -1.634) 2.975 6.894 ( 0.304 1.778 -1.231) 2.184 6.936 ( -2.526 -1.511 2.200) 3.674 7.007 ( -0.393 0.244 1.234) 1.318 7.070 ( 2.896 -0.281 -1.348) 3.207 7.134 ( -0.984 3.413 -1.320) 3.790 7.225 ( -1.336 3.554 0.327) 3.810 7.336 ( 1.899 3.905 2.872) 5.206 7.461 ( 0.287 -2.806 0.297) 2.836 7.624 ( -0.152 1.516 0.851) 1.745 7.729 ( 4.458 2.295 -4.887) 7.002 7.872 ( -0.084 -3.296 3.468) 4.785 7.887 ( 2.145 2.029 -2.896) 4.136 8.102 ( 0.139 6.018 2.467) 6.506 8.223 ( 0.594 -6.663 -1.728) 6.909 8.277 ( -1.489 -4.009 0.197) 4.281 8.720 ( -6.757 -5.423 3.567) 9.369 8.836 ( -2.342 6.150 0.186) 6.583 8.916 ( -0.047 0.170 -3.978) 3.982 9.072 ( 3.930 -2.444 -0.171) 4.631 9.485 ( -0.126 -6.569 -0.072) 6.571 9.551 ( 0.220 -8.278 0.093) 8.281 9.631 ( 0.155 -6.272 0.469) 6.291 ======================= Grid point 22 (15/91) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 5.013 9.616 -1.345) 10.928 1.766 ( 2.060 11.442 2.892) 11.980 1.878 ( 0.484 9.352 -1.262) 9.449 1.962 ( -0.106 6.422 -0.938) 6.491 2.036 ( -4.398 4.576 -1.461) 6.513 2.099 ( -6.425 7.635 -0.458) 9.989 2.270 ( 0.335 5.193 0.783) 5.262 2.338 ( 0.377 0.183 3.881) 3.903 2.439 ( 1.785 3.959 -3.614) 5.649 2.512 ( 0.524 4.950 -1.169) 5.113 2.604 ( 2.377 3.491 -1.211) 4.393 2.670 ( -4.750 3.517 4.454) 7.400 2.831 ( 1.569 -5.679 0.341) 5.902 2.995 ( 2.033 -3.916 -0.434) 4.434 3.079 ( -0.601 7.979 -1.103) 8.077 3.164 ( -0.354 11.816 1.519) 11.918 3.337 ( 5.934 -7.408 -1.090) 9.554 3.545 ( -4.207 -0.106 0.704) 4.267 3.785 ( 1.447 -0.076 1.002) 1.762 3.819 ( 1.449 12.059 -2.747) 12.453 3.879 ( -5.087 11.738 0.913) 12.826 3.960 ( -0.842 -0.395 1.020) 1.381 4.185 ( 1.858 12.742 0.071) 12.877 4.228 ( 0.737 17.011 -0.687) 17.041 4.994 ( -1.097 0.234 -0.204) 1.140 5.043 ( -1.793 0.300 -0.172) 1.826 5.690 ( 0.160 1.731 0.765) 1.900 5.704 ( 0.832 3.483 -0.183) 3.585 5.941 ( 0.618 2.290 0.101) 2.374 6.158 ( -0.243 1.604 0.493) 1.696 6.167 ( -0.529 0.409 0.860) 1.089 6.281 ( 0.061 1.062 0.727) 1.289 6.302 ( 5.034 -1.897 -0.230) 5.384 6.448 ( -2.384 -1.243 -0.583) 2.751 6.461 ( -1.060 -3.482 -0.595) 3.689 6.631 ( -0.210 3.020 3.113) 4.342 6.655 ( -0.885 1.361 -2.126) 2.675 6.696 ( -1.450 0.530 -2.638) 3.057 6.906 ( 1.336 0.624 -1.136) 1.861 6.921 ( -1.166 -2.167 2.145) 3.264 7.023 ( 1.600 1.804 1.295) 2.737 7.076 ( -1.140 2.347 -1.111) 2.836 7.127 ( 0.444 2.430 -1.133) 2.718 7.177 ( -2.490 1.825 0.385) 3.111 7.388 ( 1.396 5.090 1.526) 5.494 7.476 ( 0.605 -2.395 0.317) 2.490 7.628 ( 0.168 0.677 -0.061) 0.700 7.763 ( 1.383 4.815 -2.029) 5.405 7.906 ( 0.587 -2.034 1.207) 2.437 7.928 ( 4.108 4.242 -2.035) 6.246 8.099 ( -2.074 3.435 2.444) 4.699 8.225 ( 0.919 -6.657 -2.045) 7.024 8.248 ( -1.654 -6.521 0.962) 6.796 8.630 ( -3.546 -4.408 1.359) 5.818 8.796 ( -1.413 5.490 -0.131) 5.670 8.900 ( -0.038 0.327 -1.180) 1.225 9.126 ( 1.751 -1.840 -0.440) 2.578 9.482 ( -0.147 -8.646 0.206) 8.649 9.553 ( 0.049 -7.550 -0.226) 7.554 9.638 ( 0.188 -5.138 0.379) 5.155 ======================= Grid point 25 (16/91) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 0.000 9.966 0.000) 9.966 1.968 ( 0.000 1.389 0.000) 1.389 2.015 ( 0.000 10.309 0.000) 10.309 2.106 ( 0.000 4.702 0.000) 4.702 2.177 ( 0.000 2.542 0.000) 2.542 2.238 ( 0.000 -2.123 0.000) 2.123 2.335 ( 0.000 0.410 0.000) 0.410 2.361 ( 0.000 1.008 0.000) 1.008 2.456 ( 0.000 4.176 0.000) 4.176 2.545 ( 0.000 -0.410 0.000) 0.410 2.625 ( 0.000 -1.666 0.000) 1.666 2.754 ( 0.000 -1.119 0.000) 1.119 2.783 ( 0.000 1.931 0.000) 1.931 2.825 ( 0.000 -1.051 0.000) 1.051 3.000 ( 0.000 -3.398 0.000) 3.398 3.288 ( 0.000 -11.536 0.000) 11.536 3.342 ( 0.000 3.403 0.000) 3.403 3.423 ( 0.000 4.773 0.000) 4.773 3.887 ( 0.000 4.320 0.000) 4.320 3.910 ( 0.000 3.806 0.000) 3.806 4.229 ( 0.000 8.702 0.000) 8.702 4.239 ( 0.000 8.802 0.000) 8.802 4.309 ( 0.000 16.191 0.000) 16.191 4.482 ( 0.000 12.235 0.000) 12.235 5.045 ( 0.000 0.572 0.000) 0.572 5.115 ( 0.000 -0.831 0.000) 0.831 5.716 ( 0.000 2.237 0.000) 2.237 5.716 ( 0.000 2.622 0.000) 2.622 5.980 ( 0.000 4.878 0.000) 4.878 6.133 ( 0.000 -0.014 0.000) 0.014 6.182 ( 0.000 1.988 0.000) 1.988 6.219 ( 0.000 -1.313 0.000) 1.313 6.322 ( 0.000 1.698 0.000) 1.698 6.405 ( 0.000 2.003 0.000) 2.003 6.556 ( 0.000 1.154 0.000) 1.154 6.588 ( 0.000 -2.109 0.000) 2.109 6.766 ( 0.000 1.059 0.000) 1.059 6.788 ( 0.000 -0.289 0.000) 0.289 6.904 ( 0.000 -5.000 0.000) 5.000 6.906 ( 0.000 -2.875 0.000) 2.875 7.013 ( 0.000 1.702 0.000) 1.702 7.016 ( 0.000 1.532 0.000) 1.532 7.204 ( 0.000 1.351 0.000) 1.351 7.283 ( 0.000 0.107 0.000) 0.107 7.377 ( 0.000 4.843 0.000) 4.843 7.418 ( 0.000 -1.629 0.000) 1.629 7.604 ( 0.000 -7.817 0.000) 7.817 7.637 ( 0.000 -0.578 0.000) 0.578 7.790 ( 0.000 -0.088 0.000) 0.088 7.925 ( 0.000 -0.955 0.000) 0.955 8.146 ( 0.000 -0.749 0.000) 0.749 8.198 ( 0.000 2.146 0.000) 2.146 8.294 ( 0.000 4.110 0.000) 4.110 8.658 ( 0.000 -6.462 0.000) 6.462 8.943 ( 0.000 0.371 0.000) 0.371 8.976 ( 0.000 -1.624 0.000) 1.624 8.993 ( 0.000 6.340 0.000) 6.340 9.381 ( 0.000 -7.941 0.000) 7.941 9.407 ( 0.000 -2.532 0.000) 2.532 9.513 ( 0.000 -4.965 0.000) 4.965 ======================= Grid point 26 (17/91) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 2.377 8.504 0.112) 8.831 1.943 ( -1.390 4.000 -0.350) 4.249 2.023 ( 0.216 7.483 -0.109) 7.487 2.103 ( -0.144 4.552 -2.152) 5.037 2.158 ( -1.410 3.494 0.179) 3.772 2.253 ( 0.507 -1.674 1.021) 2.025 2.333 ( -2.003 1.415 1.106) 2.690 2.373 ( 0.536 2.396 -4.332) 4.979 2.417 ( 0.083 1.552 3.818) 4.122 2.546 ( 0.807 0.883 -2.387) 2.670 2.648 ( -1.039 -0.020 8.352) 8.416 2.741 ( -4.105 -0.339 6.574) 7.758 2.756 ( 0.372 0.103 -5.601) 5.614 2.853 ( 3.768 -2.582 -5.000) 6.773 3.069 ( 5.849 -6.445 -1.242) 8.791 3.186 ( -4.996 -8.423 -6.298) 11.644 3.348 ( 0.110 8.300 4.408) 9.399 3.505 ( 3.042 -0.244 5.014) 5.870 3.847 ( -2.528 4.315 -1.643) 5.264 3.925 ( 1.991 2.750 -4.033) 5.272 4.158 ( -5.841 10.386 3.788) 12.503 4.178 ( -4.883 8.868 0.825) 10.157 4.395 ( 5.587 14.475 -0.738) 15.533 4.507 ( 2.450 12.501 -1.334) 12.809 5.033 ( -1.047 0.958 -0.308) 1.452 5.092 ( -2.101 -0.194 -0.192) 2.119 5.720 ( 0.220 2.083 0.825) 2.252 5.735 ( 1.673 2.567 -0.132) 3.067 5.988 ( 0.731 4.511 0.384) 4.586 6.148 ( 1.174 0.166 0.820) 1.442 6.196 ( 0.567 1.641 1.646) 2.392 6.229 ( 1.407 -0.759 -0.463) 1.664 6.317 ( -0.929 1.817 0.860) 2.214 6.399 ( 0.198 -0.294 -1.783) 1.818 6.500 ( -3.955 -0.424 0.203) 3.983 6.634 ( 2.396 0.840 1.304) 2.854 6.723 ( -2.560 0.896 -2.964) 4.018 6.778 ( -1.898 -0.565 -0.027) 1.981 6.866 ( -2.629 -4.024 1.179) 4.949 6.904 ( 0.637 -1.277 -2.231) 2.649 7.028 ( 0.952 1.643 0.607) 1.993 7.059 ( 3.278 0.239 0.357) 3.306 7.186 ( -1.115 1.529 -1.111) 2.195 7.260 ( -2.384 0.032 -0.668) 2.476 7.397 ( 1.062 -0.600 0.413) 1.288 7.441 ( 1.939 3.816 3.100) 5.285 7.588 ( -1.192 -5.562 1.347) 5.845 7.712 ( 6.362 -2.502 0.199) 6.839 7.812 ( 2.606 0.499 -1.706) 3.155 7.937 ( 2.310 -0.924 -2.045) 3.221 8.133 ( -1.478 -1.053 -0.140) 1.821 8.201 ( -0.466 -0.050 0.042) 0.470 8.263 ( -2.924 5.079 0.600) 5.892 8.608 ( -5.099 -5.838 1.787) 7.954 8.917 ( -0.090 1.414 -3.676) 3.939 8.969 ( -2.705 5.540 1.572) 6.363 9.028 ( 3.427 -2.000 0.857) 4.060 9.352 ( -1.862 -7.283 -0.659) 7.546 9.431 ( 1.466 -3.311 -0.070) 3.621 9.526 ( 1.076 -4.638 0.362) 4.775 ======================= Grid point 27 (18/91) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 1.860 4.800 0.493) 5.171 1.928 ( -0.230 4.116 -0.197) 4.127 2.020 ( -0.389 5.205 0.183) 5.223 2.081 ( -0.456 7.023 -1.562) 7.209 2.128 ( -1.226 5.052 -0.606) 5.234 2.262 ( 0.342 5.620 -0.089) 5.631 2.304 ( -2.129 -0.061 1.323) 2.507 2.329 ( -0.256 0.482 -1.419) 1.520 2.507 ( 3.199 2.468 4.448) 6.009 2.553 ( 1.918 0.615 -3.786) 4.288 2.658 ( -1.067 -0.748 -0.406) 1.365 2.692 ( -3.874 1.748 4.856) 6.453 2.753 ( 0.247 -2.511 1.715) 3.050 2.880 ( 1.789 -6.580 -3.599) 7.710 3.093 ( -1.206 -5.227 -2.924) 6.109 3.125 ( 0.974 -9.768 -1.863) 9.992 3.410 ( 2.322 9.799 4.941) 11.217 3.547 ( -0.182 2.546 -0.002) 2.552 3.811 ( -0.699 2.556 0.987) 2.828 3.911 ( -0.149 -0.682 -4.835) 4.885 4.101 ( -2.263 10.812 2.601) 11.348 4.113 ( -2.115 9.981 0.605) 10.221 4.468 ( 2.221 14.215 -0.082) 14.388 4.535 ( 1.001 12.815 -0.756) 12.876 5.015 ( -0.435 1.801 -0.250) 1.870 5.054 ( -1.463 0.691 -0.084) 1.620 5.729 ( 0.151 2.153 0.362) 2.189 5.763 ( 0.989 2.170 0.061) 2.386 6.004 ( 0.533 4.152 0.223) 4.192 6.172 ( 0.656 0.600 0.352) 0.956 6.211 ( -0.075 2.302 1.769) 2.904 6.269 ( 2.584 -1.789 -1.122) 3.337 6.304 ( -0.008 1.542 0.813) 1.743 6.377 ( -2.771 -3.637 -0.590) 4.610 6.447 ( -0.717 1.111 -0.226) 1.341 6.660 ( -1.719 0.247 -1.142) 2.079 6.685 ( 1.501 2.129 2.392) 3.536 6.730 ( -1.698 1.072 -2.828) 3.469 6.835 ( -0.932 -4.590 0.128) 4.686 6.912 ( 0.615 -1.192 -0.214) 1.358 7.056 ( 1.562 1.571 1.056) 2.454 7.092 ( -0.197 0.341 -0.948) 1.027 7.172 ( 0.790 1.621 -0.351) 1.837 7.205 ( -2.650 1.174 -0.036) 2.898 7.415 ( 0.707 -2.939 -0.073) 3.024 7.498 ( 1.494 5.618 1.778) 6.079 7.576 ( -0.739 -5.354 0.649) 5.444 7.835 ( 4.433 2.026 -1.443) 5.083 7.845 ( 2.068 -2.508 1.718) 3.677 7.993 ( 5.154 0.629 -3.710) 6.382 8.091 ( -2.688 -2.367 1.042) 3.730 8.144 ( -4.810 -3.696 0.175) 6.069 8.235 ( -0.738 5.736 0.573) 5.812 8.536 ( -2.703 -4.994 0.859) 5.743 8.902 ( 0.576 4.481 -2.544) 5.185 8.930 ( -2.083 3.241 1.723) 4.221 9.086 ( 1.912 -2.320 0.282) 3.019 9.318 ( -1.119 -8.032 -0.321) 8.116 9.449 ( 0.575 -2.902 -0.156) 2.962 9.546 ( 0.618 -4.277 0.224) 4.327 ======================= Grid point 30 (19/91) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.000 3.165 0.000) 3.165 1.980 ( 0.000 0.105 0.000) 0.105 2.090 ( 0.000 1.659 0.000) 1.659 2.159 ( 0.000 -4.579 0.000) 4.579 2.228 ( 0.000 6.331 0.000) 6.331 2.267 ( 0.000 5.407 0.000) 5.407 2.326 ( 0.000 -2.525 0.000) 2.525 2.340 ( 0.000 -2.802 0.000) 2.802 2.540 ( 0.000 2.425 0.000) 2.425 2.544 ( 0.000 0.699 0.000) 0.699 2.636 ( 0.000 3.986 0.000) 3.986 2.728 ( 0.000 -2.825 0.000) 2.825 2.802 ( 0.000 -0.694 0.000) 0.694 2.803 ( 0.000 0.005 0.000) 0.005 2.951 ( 0.000 -0.890 0.000) 0.890 3.023 ( 0.000 -9.833 0.000) 9.833 3.446 ( 0.000 3.602 0.000) 3.602 3.476 ( 0.000 0.567 0.000) 0.567 3.953 ( 0.000 2.028 0.000) 2.028 3.960 ( 0.000 1.262 0.000) 1.262 4.352 ( 0.000 3.631 0.000) 3.631 4.359 ( 0.000 3.043 0.000) 3.043 4.568 ( 0.000 8.815 0.000) 8.815 4.631 ( 0.000 2.460 0.000) 2.460 5.065 ( 0.000 1.369 0.000) 1.369 5.094 ( 0.000 -1.374 0.000) 1.374 5.750 ( 0.000 1.359 0.000) 1.359 5.758 ( 0.000 0.892 0.000) 0.892 6.086 ( 0.000 5.582 0.000) 5.582 6.151 ( 0.000 1.686 0.000) 1.686 6.176 ( 0.000 -2.877 0.000) 2.877 6.188 ( 0.000 -1.849 0.000) 1.849 6.369 ( 0.000 2.734 0.000) 2.734 6.412 ( 0.000 -1.307 0.000) 1.307 6.592 ( 0.000 3.023 0.000) 3.023 6.614 ( 0.000 3.891 0.000) 3.891 6.722 ( 0.000 -5.163 0.000) 5.163 6.739 ( 0.000 -4.162 0.000) 4.162 6.843 ( 0.000 -0.392 0.000) 0.392 6.856 ( 0.000 -1.386 0.000) 1.386 7.049 ( 0.000 1.405 0.000) 1.405 7.051 ( 0.000 1.304 0.000) 1.304 7.221 ( 0.000 0.955 0.000) 0.955 7.255 ( 0.000 -2.247 0.000) 2.247 7.406 ( 0.000 0.566 0.000) 0.566 7.440 ( 0.000 -1.630 0.000) 1.630 7.516 ( 0.000 2.468 0.000) 2.468 7.595 ( 0.000 -3.625 0.000) 3.625 7.815 ( 0.000 2.203 0.000) 2.203 7.870 ( 0.000 -3.348 0.000) 3.348 8.167 ( 0.000 1.767 0.000) 1.767 8.196 ( 0.000 -1.095 0.000) 1.095 8.409 ( 0.000 6.338 0.000) 6.338 8.532 ( 0.000 -6.339 0.000) 6.339 8.946 ( 0.000 0.137 0.000) 0.137 8.953 ( 0.000 -0.678 0.000) 0.678 9.116 ( 0.000 6.199 0.000) 6.199 9.240 ( 0.000 -6.629 0.000) 6.629 9.390 ( 0.000 0.805 0.000) 0.805 9.432 ( 0.000 -3.280 0.000) 3.280 ======================= Grid point 31 (20/91) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -0.071 2.395 -0.110) 2.399 1.975 ( -0.362 0.359 -0.449) 0.679 2.089 ( -0.081 2.307 -0.029) 2.309 2.158 ( -0.058 -3.881 -0.147) 3.884 2.224 ( -0.153 4.753 -0.893) 4.838 2.267 ( 0.437 4.033 -0.270) 4.065 2.328 ( 0.021 -0.845 -0.234) 0.877 2.374 ( 3.448 -1.945 0.085) 3.959 2.495 ( -3.408 4.939 4.002) 7.212 2.567 ( -1.838 -1.091 6.362) 6.711 2.632 ( -0.130 1.827 0.115) 1.835 2.716 ( -0.835 -3.703 -1.549) 4.100 2.778 ( -0.525 1.931 -3.613) 4.130 2.813 ( 0.996 -1.592 -4.989) 5.330 2.965 ( 1.408 -2.857 -0.401) 3.211 3.002 ( -0.760 -6.950 -2.233) 7.339 3.474 ( 1.508 4.319 4.873) 6.683 3.518 ( 2.310 -0.280 5.062) 5.572 3.922 ( -1.755 2.886 -3.706) 5.014 3.951 ( -0.198 -0.026 -4.447) 4.451 4.301 ( -4.961 3.875 2.559) 6.795 4.305 ( -4.455 3.492 1.508) 5.858 4.622 ( 4.215 7.430 -0.700) 8.571 4.664 ( 2.967 3.122 -1.036) 4.429 5.059 ( -0.512 1.496 -0.112) 1.585 5.083 ( -0.978 -0.866 -0.049) 1.307 5.757 ( 0.533 1.445 0.207) 1.554 5.768 ( 0.912 0.533 0.084) 1.059 6.089 ( 0.141 5.473 0.779) 5.530 6.167 ( 1.285 1.549 0.441) 2.061 6.183 ( 0.313 -3.282 1.277) 3.536 6.201 ( 1.280 -1.836 -0.301) 2.259 6.357 ( -1.061 1.956 -0.108) 2.228 6.384 ( -2.048 -0.960 -1.401) 2.660 6.550 ( -2.910 5.154 1.526) 6.112 6.654 ( 1.384 -1.498 -0.366) 2.072 6.704 ( -1.378 -2.638 2.695) 4.015 6.726 ( -1.094 -0.926 -2.365) 2.766 6.833 ( -0.917 -0.129 -1.414) 1.690 6.854 ( 0.883 -2.562 -0.968) 2.878 7.064 ( 1.189 1.610 0.261) 2.019 7.075 ( 1.845 0.580 0.290) 1.956 7.205 ( -0.712 0.962 -1.405) 1.845 7.236 ( -1.073 -1.983 -1.265) 2.585 7.394 ( -0.734 1.497 0.723) 1.817 7.459 ( 0.048 -4.695 1.558) 4.947 7.555 ( 2.762 5.107 3.138) 6.600 7.651 ( 4.580 -4.149 2.290) 6.590 7.838 ( 3.331 1.801 -2.868) 4.750 7.884 ( 2.573 -3.022 -2.211) 4.543 8.150 ( -1.713 1.651 -0.787) 2.506 8.179 ( -1.988 -1.324 -0.700) 2.488 8.382 ( -2.836 5.994 1.156) 6.731 8.495 ( -3.839 -5.711 1.232) 6.991 8.944 ( 0.825 1.588 -1.135) 2.119 8.981 ( 1.830 -2.068 0.776) 2.868 9.091 ( -2.283 6.069 -0.032) 6.484 9.214 ( -2.210 -6.625 -0.356) 6.993 9.409 ( 1.620 0.751 -0.154) 1.792 9.449 ( 1.494 -3.144 0.102) 3.482 ======================= Grid point 32 (21/91) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.325 1.334 0.115) 1.378 1.965 ( -0.268 0.516 -0.392) 0.701 2.088 ( 0.005 2.990 0.025) 2.990 2.156 ( -0.053 -3.050 -0.104) 3.052 2.214 ( -0.173 4.686 -0.620) 4.730 2.285 ( 1.197 -0.745 0.330) 1.448 2.326 ( 0.182 5.158 -1.701) 5.434 2.408 ( 0.111 2.157 -0.090) 2.161 2.517 ( 2.554 0.098 3.962) 4.715 2.562 ( -2.662 -1.953 5.522) 6.434 2.627 ( -0.634 0.756 -0.511) 1.111 2.691 ( -0.770 -3.373 -0.249) 3.468 2.738 ( -1.205 1.409 -1.372) 2.306 2.779 ( 0.029 -2.973 -6.232) 6.905 2.980 ( 0.493 -3.662 -0.353) 3.712 2.987 ( 0.044 -4.007 -0.741) 4.075 3.554 ( 2.655 4.670 5.077) 7.392 3.592 ( 1.652 0.683 2.776) 3.301 3.860 ( -1.692 2.208 -2.263) 3.585 3.893 ( -1.849 -1.176 -5.091) 5.543 4.250 ( -1.846 4.023 1.605) 4.708 4.252 ( -1.829 3.756 1.010) 4.298 4.676 ( 1.676 6.166 -0.259) 6.395 4.699 ( 1.116 3.722 -0.612) 3.933 5.053 ( -0.002 1.592 -0.077) 1.594 5.065 ( -0.717 0.247 -0.006) 0.759 5.767 ( 0.329 1.585 0.117) 1.623 5.784 ( 0.568 -0.000 0.071) 0.572 6.099 ( 0.274 5.327 0.560) 5.363 6.184 ( 0.395 -0.349 -0.105) 0.537 6.208 ( 0.722 -2.656 2.290) 3.581 6.220 ( 1.012 -1.748 -1.175) 2.337 6.335 ( -1.228 1.044 -0.132) 1.617 6.344 ( -0.797 -0.212 -0.726) 1.099 6.515 ( -1.263 5.977 0.359) 6.120 6.646 ( -1.065 -5.597 0.262) 5.703 6.691 ( -0.884 0.731 -0.614) 1.301 6.714 ( 0.141 -0.552 1.052) 1.197 6.810 ( -0.207 1.920 -1.454) 2.418 6.867 ( 0.593 -3.133 -0.371) 3.210 7.084 ( 0.709 1.140 0.292) 1.374 7.097 ( 0.227 -0.100 -0.320) 0.404 7.197 ( 0.636 1.114 -0.590) 1.412 7.215 ( -0.703 -0.419 -0.351) 0.891 7.390 ( -0.146 1.188 0.252) 1.223 7.460 ( -0.369 -5.376 0.698) 5.434 7.617 ( 1.364 6.364 2.013) 6.812 7.744 ( 2.437 -6.298 1.948) 7.028 7.894 ( 4.151 2.973 -1.870) 5.437 7.954 ( 6.114 -3.091 -2.167) 7.185 8.092 ( -3.684 0.802 -0.205) 3.775 8.104 ( -5.162 -0.768 -0.608) 5.254 8.343 ( -1.539 5.165 0.862) 5.458 8.440 ( -2.103 -4.818 0.784) 5.315 8.963 ( 1.560 2.745 -0.743) 3.244 9.005 ( -0.496 0.323 0.674) 0.897 9.060 ( -0.247 2.768 -0.058) 2.780 9.172 ( -1.650 -6.884 -0.259) 7.083 9.433 ( 0.774 0.899 -0.109) 1.191 9.473 ( 0.778 -3.066 0.053) 3.163 ======================= Grid point 65 (22/91) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 5.369 0.000 22.449) 23.083 0.472 ( -0.985 0.000 24.122) 24.142 0.877 ( -4.331 0.000 45.614) 45.819 1.302 ( -0.825 0.000 -2.152) 2.305 1.537 ( -7.337 0.000 -15.598) 17.238 1.583 ( 0.124 0.000 -9.782) 9.782 1.653 ( -5.904 0.000 -14.373) 15.539 1.902 ( -0.966 0.000 5.547) 5.630 1.982 ( 1.141 0.000 0.288) 1.177 2.087 ( 0.284 0.000 -0.915) 0.958 2.088 ( 7.987 0.000 5.499) 9.697 2.311 ( 12.706 0.000 7.926) 14.976 2.403 ( 1.250 0.000 -3.125) 3.366 2.443 ( 1.405 0.000 0.486) 1.486 2.573 ( -0.952 0.000 1.893) 2.119 2.757 ( -1.831 0.000 -11.379) 11.526 2.948 ( -11.899 0.000 -5.181) 12.978 3.225 ( 3.848 0.000 -23.649) 23.960 3.430 ( -5.804 0.000 -2.247) 6.224 3.653 ( 8.741 0.000 1.856) 8.936 3.888 ( 7.447 0.000 8.570) 11.353 3.950 ( -1.166 0.000 9.421) 9.493 4.216 ( -8.291 0.000 9.053) 12.276 4.410 ( 1.081 0.000 -3.986) 4.130 5.151 ( -0.240 0.000 0.728) 0.766 5.294 ( -5.506 0.000 -1.761) 5.781 5.744 ( 0.512 0.000 1.036) 1.156 5.815 ( 0.412 0.000 -0.948) 1.033 5.824 ( -0.514 0.000 -2.775) 2.822 5.973 ( 6.384 0.000 4.053) 7.562 6.041 ( -3.411 0.000 -3.716) 5.044 6.194 ( -12.315 0.000 -1.469) 12.402 6.201 ( 3.255 0.000 4.618) 5.650 6.345 ( 3.015 0.000 -2.034) 3.637 6.387 ( -0.117 0.000 -0.263) 0.288 6.518 ( 15.935 0.000 3.580) 16.332 6.560 ( -1.207 0.000 -1.406) 1.853 6.582 ( 2.782 0.000 4.739) 5.496 6.616 ( 0.348 0.000 1.251) 1.299 6.800 ( 0.408 0.000 -1.637) 1.687 6.844 ( 6.920 0.000 -3.669) 7.832 6.862 ( -0.375 0.000 1.237) 1.292 7.000 ( -2.235 0.000 3.765) 4.378 7.180 ( -2.358 0.000 -3.035) 3.844 7.324 ( 0.428 0.000 0.315) 0.531 7.329 ( -4.010 0.000 -7.449) 8.460 7.407 ( -0.612 0.000 -0.758) 0.974 7.431 ( 0.327 0.000 0.307) 0.448 7.650 ( -2.158 0.000 8.763) 9.025 7.774 ( 2.311 0.000 1.200) 2.604 8.266 ( -3.016 0.000 -2.339) 3.817 8.380 ( -2.933 0.000 -3.907) 4.885 8.505 ( 4.453 0.000 -0.995) 4.563 8.628 ( 3.742 0.000 0.966) 3.865 8.756 ( 4.736 0.000 2.264) 5.249 8.955 ( -3.820 0.000 -6.634) 7.655 9.390 ( -11.066 0.000 10.173) 15.031 9.933 ( 1.804 0.000 -2.581) 3.149 10.202 ( -0.930 0.000 -0.343) 0.991 10.357 ( -0.019 0.000 -1.262) 1.263 ======================= Grid point 66 (23/91) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 9.023 0.000 18.527) 20.607 0.751 ( 12.400 0.000 18.462) 22.240 1.250 ( -4.396 0.000 -0.582) 4.434 1.290 ( 5.818 0.000 12.208) 13.524 1.343 ( 0.616 0.000 -7.281) 7.307 1.515 ( 1.089 0.000 -12.092) 12.141 1.525 ( 7.851 0.000 7.933) 11.161 1.888 ( -3.662 0.000 4.673) 5.937 2.007 ( 0.761 0.000 0.580) 0.956 2.095 ( 1.064 0.000 -0.797) 1.329 2.159 ( -3.426 0.000 -3.990) 5.259 2.283 ( -11.556 0.000 -4.239) 12.309 2.409 ( 1.587 0.000 -3.536) 3.876 2.565 ( 1.522 0.000 -0.919) 1.778 2.568 ( -0.965 0.000 2.250) 2.448 2.719 ( 7.504 0.000 -1.054) 7.578 2.802 ( -0.624 0.000 -5.197) 5.235 3.063 ( -17.964 0.000 1.968) 18.072 3.279 ( 8.291 0.000 -26.151) 27.434 3.839 ( 6.740 0.000 1.940) 7.014 3.979 ( 0.379 0.000 7.415) 7.424 4.112 ( 2.231 0.000 10.753) 10.982 4.134 ( -0.534 0.000 4.558) 4.589 4.384 ( -1.703 0.000 -3.720) 4.091 5.125 ( -2.039 0.000 3.466) 4.022 5.208 ( -4.478 0.000 -2.570) 5.163 5.767 ( 0.958 0.000 0.528) 1.094 5.814 ( 0.436 0.000 -0.442) 0.621 5.819 ( 1.899 0.000 -2.326) 3.003 5.943 ( -7.360 0.000 3.030) 7.959 5.966 ( -2.799 0.000 -1.537) 3.193 6.074 ( -2.255 0.000 1.694) 2.821 6.285 ( 2.723 0.000 3.662) 4.564 6.375 ( 1.090 0.000 -0.460) 1.183 6.387 ( 0.566 0.000 -1.975) 2.054 6.525 ( -1.519 0.000 -0.638) 1.648 6.623 ( -0.346 0.000 0.927) 0.990 6.628 ( -1.403 0.000 4.470) 4.685 6.688 ( 4.421 0.000 -4.664) 6.426 6.800 ( 0.643 0.000 -1.502) 1.634 6.813 ( -1.901 0.000 -5.905) 6.203 6.862 ( -0.403 0.000 1.210) 1.275 7.020 ( -2.933 0.000 6.138) 6.803 7.103 ( -2.908 0.000 -2.257) 3.681 7.313 ( 6.174 0.000 -5.280) 8.124 7.334 ( 0.349 0.000 0.133) 0.373 7.394 ( -0.350 0.000 -0.363) 0.505 7.437 ( 0.132 0.000 0.043) 0.139 7.615 ( -4.617 0.000 5.039) 6.834 7.845 ( 2.543 0.000 4.731) 5.371 8.188 ( -3.514 0.000 -1.347) 3.763 8.396 ( 4.430 0.000 -2.479) 5.077 8.535 ( 0.383 0.000 -0.632) 0.739 8.671 ( 0.266 0.000 -1.072) 1.104 8.833 ( 1.666 0.000 -7.026) 7.221 8.956 ( 6.978 0.000 -2.314) 7.352 9.349 ( -2.742 0.000 12.583) 12.878 9.942 ( 1.093 0.000 -2.877) 3.078 10.130 ( -6.071 0.000 0.453) 6.088 10.267 ( -4.979 0.000 3.422) 6.041 ======================= Grid point 67 (24/91) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.810 0.000 9.619) 9.653 1.070 ( -12.575 0.000 -1.662) 12.685 1.123 ( 15.082 0.000 8.786) 17.454 1.146 ( -3.777 0.000 4.173) 5.628 1.503 ( 5.809 0.000 -11.691) 13.055 1.503 ( 16.075 0.000 -3.461) 16.443 1.836 ( -12.412 0.000 -2.078) 12.585 1.846 ( -3.459 0.000 4.177) 5.423 2.012 ( -0.315 0.000 -0.213) 0.380 2.083 ( 11.148 0.000 10.269) 15.157 2.105 ( 0.357 0.000 -0.974) 1.037 2.213 ( 9.996 0.000 3.615) 10.630 2.366 ( -29.487 0.000 2.094) 29.561 2.414 ( 1.451 0.000 -3.605) 3.886 2.521 ( -5.276 0.000 -19.973) 20.658 2.567 ( -0.767 0.000 2.622) 2.732 2.840 ( 0.634 0.000 7.637) 7.663 3.102 ( 10.907 0.000 11.184) 15.622 3.300 ( 10.397 0.000 -26.964) 28.899 3.847 ( -6.294 0.000 0.662) 6.329 3.985 ( -3.597 0.000 -6.003) 6.998 4.098 ( 1.042 0.000 3.848) 3.986 4.285 ( -4.232 0.000 10.142) 10.990 4.333 ( 5.113 0.000 1.881) 5.449 5.099 ( -4.605 0.000 -2.441) 5.212 5.169 ( 3.678 0.000 6.659) 7.607 5.776 ( 0.453 0.000 -0.790) 0.911 5.815 ( -0.714 0.000 -1.549) 1.705 5.831 ( -5.484 0.000 -2.545) 6.046 5.863 ( 3.250 0.000 -0.169) 3.254 5.944 ( 0.684 0.000 3.212) 3.284 6.043 ( -2.121 0.000 1.895) 2.844 6.312 ( -1.799 0.000 -0.954) 2.036 6.368 ( -1.016 0.000 -1.462) 1.780 6.397 ( 2.189 0.000 -1.144) 2.470 6.507 ( -0.296 0.000 0.876) 0.924 6.576 ( -2.954 0.000 -0.619) 3.018 6.619 ( -0.508 0.000 0.788) 0.937 6.701 ( 0.243 0.000 -6.002) 6.006 6.775 ( -0.006 0.000 -1.930) 1.930 6.803 ( 0.632 0.000 -1.248) 1.399 6.862 ( -0.452 0.000 1.208) 1.290 7.002 ( -2.787 0.000 -2.365) 3.655 7.056 ( 0.518 0.000 4.651) 4.680 7.333 ( -0.183 0.000 -0.732) 0.755 7.394 ( 0.280 0.000 0.592) 0.655 7.423 ( 5.811 0.000 0.069) 5.811 7.437 ( -0.040 0.000 -0.185) 0.189 7.580 ( -1.931 0.000 3.720) 4.191 7.896 ( -1.049 0.000 3.690) 3.836 8.143 ( -0.405 0.000 1.955) 1.997 8.456 ( 2.791 0.000 -1.694) 3.264 8.540 ( 0.094 0.000 0.615) 0.622 8.643 ( 0.262 0.000 -6.939) 6.944 8.806 ( -1.903 0.000 -0.357) 1.936 9.040 ( 3.166 0.000 -1.461) 3.486 9.421 ( 2.656 0.000 9.685) 10.043 9.934 ( 0.544 0.000 -4.855) 4.885 10.032 ( -4.855 0.000 1.039) 4.965 10.213 ( -3.001 0.000 1.901) 3.552 ======================= Grid point 68 (25/91) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -17.876 0.000 1.863) 17.973 0.775 ( -16.808 0.000 6.114) 17.885 1.242 ( 4.650 0.000 4.986) 6.818 1.492 ( 13.807 0.000 9.110) 16.542 1.561 ( 6.835 0.000 -8.931) 11.246 1.633 ( -12.546 0.000 8.418) 15.108 1.723 ( -28.743 0.000 1.362) 28.775 1.829 ( 17.775 0.000 -9.000) 19.924 1.829 ( -0.811 0.000 4.261) 4.338 1.995 ( -0.946 0.000 -1.110) 1.459 2.061 ( -1.380 0.000 -9.420) 9.521 2.098 ( -0.210 0.000 -0.954) 0.977 2.337 ( -0.197 0.000 -12.643) 12.644 2.415 ( 0.912 0.000 -3.333) 3.455 2.571 ( -0.602 0.000 2.549) 2.619 2.744 ( 19.380 0.000 15.424) 24.768 2.866 ( -2.518 0.000 10.196) 10.502 3.317 ( 9.890 0.000 -23.855) 25.824 3.375 ( 10.233 0.000 8.438) 13.263 3.648 ( -10.941 0.000 -8.352) 13.765 3.818 ( -7.544 0.000 -9.793) 12.362 4.107 ( -4.079 0.000 5.162) 6.579 4.259 ( -2.656 0.000 9.768) 10.122 4.444 ( 1.110 0.000 3.215) 3.401 5.051 ( 1.251 0.000 -0.370) 1.304 5.331 ( 7.381 0.000 10.958) 13.212 5.680 ( -6.306 0.000 -9.613) 11.497 5.773 ( -1.584 0.000 -0.776) 1.764 5.788 ( 0.876 0.000 -1.373) 1.628 5.924 ( 1.651 0.000 0.744) 1.811 6.014 ( 3.169 0.000 5.096) 6.001 6.046 ( 1.554 0.000 3.890) 4.189 6.236 ( -3.790 0.000 -4.177) 5.641 6.339 ( 0.006 0.000 -3.569) 3.569 6.416 ( -0.327 0.000 0.318) 0.456 6.529 ( 2.012 0.000 0.550) 2.086 6.543 ( -1.084 0.000 -1.151) 1.581 6.614 ( -0.629 0.000 0.802) 1.020 6.649 ( 0.365 0.000 -7.823) 7.831 6.727 ( -4.439 0.000 -3.351) 5.561 6.805 ( 0.446 0.000 -1.231) 1.310 6.861 ( -0.463 0.000 1.231) 1.316 6.960 ( 0.999 0.000 0.309) 1.046 7.139 ( 3.821 0.000 4.331) 5.775 7.323 ( -0.229 0.000 -0.775) 0.808 7.406 ( 0.461 0.000 0.813) 0.935 7.433 ( -0.207 0.000 -0.398) 0.449 7.494 ( 1.159 0.000 0.800) 1.408 7.586 ( -0.605 0.000 4.507) 4.547 7.839 ( -5.822 0.000 1.652) 6.051 8.209 ( 4.161 0.000 4.106) 5.846 8.483 ( 0.442 0.000 0.768) 0.886 8.522 ( -1.740 0.000 -0.142) 1.746 8.609 ( 1.974 0.000 -11.873) 12.036 8.763 ( -3.482 0.000 3.702) 5.083 9.066 ( 0.770 0.000 -1.230) 1.451 9.562 ( 5.599 0.000 9.335) 10.885 9.886 ( -1.396 0.000 -7.458) 7.587 9.980 ( -2.007 0.000 4.310) 4.754 10.188 ( -0.386 0.000 0.498) 0.630 ======================= Grid point 69 (26/91) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -17.585 0.000 11.430) 20.974 0.516 ( -16.375 0.000 15.551) 22.582 1.050 ( -36.361 0.000 27.361) 45.505 1.309 ( 1.200 0.000 -0.102) 1.204 1.609 ( 3.465 0.000 -7.998) 8.716 1.672 ( 2.587 0.000 -1.698) 3.094 1.778 ( 5.067 0.000 -12.403) 13.398 1.862 ( 1.020 0.000 4.898) 5.003 1.963 ( 3.879 0.000 -3.366) 5.136 1.975 ( -0.301 0.000 -0.543) 0.621 2.019 ( 7.934 0.000 -0.339) 7.942 2.090 ( -0.013 0.000 -0.672) 0.672 2.389 ( 7.466 0.000 -2.461) 7.861 2.407 ( 0.555 0.000 -3.164) 3.213 2.575 ( -0.644 0.000 2.133) 2.228 2.807 ( -3.361 0.000 3.306) 4.714 3.101 ( 3.453 0.000 6.023) 6.942 3.355 ( -3.169 0.000 -19.609) 19.863 3.382 ( 10.883 0.000 -18.703) 21.639 3.592 ( -4.985 0.000 14.086) 14.942 3.691 ( 6.786 0.000 -1.610) 6.975 4.020 ( -8.192 0.000 4.930) 9.561 4.277 ( -4.447 0.000 12.238) 13.021 4.424 ( -1.144 0.000 -3.036) 3.244 5.112 ( 3.548 0.000 0.242) 3.556 5.477 ( -7.207 0.000 -10.524) 12.755 5.606 ( 13.129 0.000 16.426) 21.028 5.744 ( -0.915 0.000 0.082) 0.919 5.805 ( 1.261 0.000 -0.907) 1.553 5.907 ( -2.395 0.000 -1.826) 3.012 6.109 ( 3.431 0.000 4.875) 5.961 6.136 ( -3.914 0.000 -4.250) 5.778 6.161 ( 6.805 0.000 7.848) 10.387 6.324 ( 1.072 0.000 -5.124) 5.235 6.400 ( -1.151 0.000 0.199) 1.168 6.466 ( -6.186 0.000 -4.343) 7.559 6.568 ( 1.520 0.000 -0.558) 1.619 6.577 ( -3.939 0.000 0.184) 3.943 6.606 ( -0.630 0.000 1.067) 1.239 6.714 ( 6.348 0.000 -3.769) 7.383 6.804 ( 0.299 0.000 -1.458) 1.488 6.861 ( -0.413 0.000 1.252) 1.319 7.006 ( 1.330 0.000 2.820) 3.118 7.213 ( 1.071 0.000 0.379) 1.136 7.318 ( 0.076 0.000 -0.218) 0.231 7.418 ( 0.182 0.000 0.273) 0.328 7.425 ( -0.183 0.000 -0.298) 0.350 7.461 ( -3.610 0.000 -4.494) 5.765 7.607 ( -1.199 0.000 8.363) 8.448 7.761 ( -1.981 0.000 0.278) 2.000 8.289 ( 1.316 0.000 1.564) 2.045 8.457 ( -2.143 0.000 3.601) 4.190 8.511 ( -1.692 0.000 -8.236) 8.408 8.568 ( 2.469 0.000 -3.697) 4.446 8.733 ( -2.122 0.000 2.890) 3.586 9.050 ( -1.354 0.000 -3.686) 3.927 9.597 ( -7.043 0.000 -6.373) 9.499 9.897 ( 4.601 0.000 -1.323) 4.787 10.078 ( 10.867 0.000 16.995) 20.172 10.200 ( 1.071 0.000 0.518) 1.190 ======================= Grid point 70 (27/91) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 4.559 14.290 14.897) 21.140 0.630 ( -2.853 14.756 16.974) 22.671 1.248 ( -2.133 29.496 29.659) 41.883 1.434 ( -0.276 12.343 -2.192) 12.539 1.550 ( -7.216 2.523 -13.169) 15.227 1.608 ( -1.801 2.841 -10.313) 10.847 1.741 ( -1.579 7.854 -11.219) 13.786 1.965 ( 0.390 4.326 5.351) 6.892 2.023 ( 3.446 3.433 0.655) 4.909 2.115 ( 0.401 6.426 1.021) 6.519 2.245 ( 3.825 11.408 0.502) 12.042 2.352 ( 8.901 4.898 4.539) 11.128 2.444 ( 1.623 0.395 1.876) 2.512 2.467 ( 0.863 5.972 -2.885) 6.688 2.644 ( 1.251 7.000 -0.277) 7.116 2.795 ( -1.332 4.145 -7.236) 8.445 2.967 ( -11.870 2.096 -3.699) 12.609 3.261 ( 2.524 3.559 -19.953) 20.424 3.458 ( -5.387 2.920 -3.232) 6.927 3.629 ( 8.189 -1.622 1.762) 8.532 3.878 ( 5.684 -1.171 6.545) 8.747 3.925 ( 0.210 -2.023 10.107) 10.310 4.181 ( -7.249 -3.318 8.749) 11.836 4.359 ( 0.787 -4.921 -4.497) 6.713 5.136 ( -0.005 -1.471 0.560) 1.574 5.251 ( -2.857 -3.363 -0.803) 4.485 5.561 ( 2.649 -3.616 4.178) 6.128 5.828 ( 0.605 -3.265 0.898) 3.439 5.886 ( 0.696 4.433 0.118) 4.489 5.989 ( -2.714 -0.613 -1.832) 3.332 6.187 ( -0.813 4.798 1.414) 5.068 6.206 ( 1.334 2.757 0.633) 3.127 6.239 ( -3.834 2.237 -3.939) 5.935 6.353 ( 1.681 1.428 -1.144) 2.484 6.428 ( 0.626 3.323 -0.975) 3.519 6.566 ( 1.687 1.077 3.646) 4.160 6.585 ( -0.054 3.044 -0.729) 3.131 6.663 ( 0.751 4.220 2.934) 5.194 6.723 ( 5.014 8.213 -6.721) 11.737 6.790 ( 0.445 -0.787 -1.535) 1.782 6.850 ( 1.884 0.651 -1.567) 2.535 6.885 ( 4.168 3.209 -2.208) 5.705 7.019 ( -0.442 0.586 3.773) 3.844 7.180 ( -3.940 -0.265 -1.743) 4.316 7.236 ( -0.373 -4.004 -0.476) 4.050 7.363 ( -3.241 2.944 -2.530) 5.057 7.438 ( 0.144 1.522 -0.444) 1.592 7.454 ( 0.101 3.658 -2.516) 4.441 7.688 ( -4.521 3.134 6.575) 8.572 7.767 ( 3.594 -0.263 2.254) 4.250 8.259 ( -2.393 -1.045 -1.564) 3.044 8.426 ( -1.689 0.793 -5.282) 5.601 8.603 ( 3.916 1.220 -0.329) 4.115 8.631 ( 2.327 3.681 -9.248) 10.222 8.731 ( 7.276 -2.011 0.361) 7.557 8.968 ( -3.508 1.368 -7.695) 8.566 9.350 ( -9.752 -3.737 11.023) 15.184 9.895 ( 1.671 -3.739 -2.737) 4.926 10.100 ( -0.452 -13.133 7.920) 15.343 10.160 ( 0.321 -7.869 3.142) 8.479 ======================= Grid point 71 (28/91) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 9.057 10.601 15.536) 20.875 0.882 ( 14.442 9.673 13.029) 21.723 1.338 ( -4.507 3.407 -13.155) 14.317 1.387 ( -5.826 13.504 2.155) 14.865 1.451 ( 1.714 8.135 -3.182) 8.902 1.631 ( 8.003 12.242 9.140) 17.247 1.642 ( 4.690 12.912 -0.764) 13.758 1.955 ( -4.074 6.057 4.281) 8.462 2.094 ( 1.700 7.448 2.681) 8.096 2.120 ( 1.300 1.126 -2.695) 3.197 2.224 ( -5.959 8.062 -3.116) 10.498 2.322 ( -7.614 3.978 -2.580) 8.970 2.459 ( 1.228 4.646 -3.388) 5.880 2.570 ( 3.034 1.485 -2.806) 4.391 2.687 ( -3.072 10.482 1.222) 10.991 2.759 ( 8.505 4.919 1.136) 9.891 2.837 ( -0.008 3.652 -2.432) 4.388 3.088 ( -17.021 2.908 0.481) 17.274 3.329 ( 6.895 5.080 -23.435) 24.951 3.797 ( 6.140 -3.610 1.934) 7.381 3.943 ( -0.149 -3.535 6.864) 7.722 4.087 ( 1.068 -2.359 9.159) 9.518 4.122 ( 1.088 -1.183 5.818) 6.036 4.328 ( -1.628 -5.570 -4.319) 7.234 5.112 ( -2.175 -1.268 2.741) 3.722 5.181 ( -4.298 -2.472 -2.454) 5.532 5.628 ( 2.335 -5.052 1.784) 5.844 5.819 ( -1.770 -2.609 0.279) 3.165 5.897 ( -0.146 5.046 0.993) 5.145 5.936 ( -1.575 -0.669 -1.359) 2.185 6.102 ( -3.395 8.955 -3.659) 10.252 6.183 ( -1.394 8.406 1.349) 8.627 6.280 ( 1.905 -0.475 3.353) 3.886 6.371 ( 0.821 0.053 -0.437) 0.932 6.420 ( -0.049 2.124 -2.539) 3.311 6.564 ( -1.083 3.734 -0.025) 3.888 6.595 ( -0.722 0.651 0.895) 1.321 6.696 ( 0.165 2.155 3.954) 4.506 6.732 ( 1.625 2.471 -5.094) 5.890 6.793 ( -0.695 0.755 -1.588) 1.891 6.842 ( -0.654 3.428 -3.986) 5.298 6.885 ( -0.589 2.700 -0.097) 2.765 7.020 ( -3.311 -0.014 6.116) 6.955 7.104 ( -2.968 0.087 -2.300) 3.756 7.260 ( 3.328 -3.376 -1.208) 4.893 7.355 ( 3.921 2.545 -2.426) 5.267 7.434 ( -0.048 2.788 -0.433) 2.822 7.455 ( 0.519 3.016 -0.490) 3.099 7.623 ( -4.785 0.476 3.923) 6.206 7.853 ( 2.489 1.009 4.780) 5.483 8.201 ( -2.486 0.902 -1.558) 3.069 8.418 ( 2.743 -0.093 -1.977) 3.382 8.568 ( -1.860 2.533 -3.087) 4.405 8.652 ( 0.678 -1.382 -2.026) 2.544 8.829 ( 0.859 -0.199 -5.638) 5.707 8.923 ( 5.457 -3.120 -3.495) 7.193 9.326 ( -2.147 -2.244 12.184) 12.574 9.902 ( 1.017 -4.010 -3.120) 5.182 10.062 ( -4.722 -6.697 2.290) 8.508 10.165 ( -2.257 -8.571 3.631) 9.578 ======================= Grid point 72 (29/91) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 2.931 9.249 4.967) 10.900 1.147 ( -2.988 6.113 -2.999) 7.436 1.197 ( 4.801 6.960 6.621) 10.739 1.281 ( -1.268 15.308 7.615) 17.145 1.545 ( 12.276 4.276 -4.151) 13.646 1.604 ( 5.845 8.826 -13.203) 16.923 1.840 ( -9.983 1.277 -0.814) 10.097 1.942 ( -1.220 8.126 3.519) 8.939 2.049 ( -0.539 6.424 7.289) 9.731 2.131 ( 0.675 3.647 -7.094) 8.005 2.221 ( -2.366 8.294 -1.818) 8.814 2.264 ( 7.019 5.205 10.591) 13.730 2.426 ( -7.203 8.439 3.663) 11.684 2.469 ( -3.258 3.256 -10.682) 11.633 2.615 ( -7.823 12.098 -7.159) 16.088 2.682 ( -2.132 9.431 0.522) 9.683 2.869 ( -0.287 3.575 7.968) 8.739 3.108 ( 10.911 0.723 10.337) 15.047 3.340 ( 9.319 4.212 -24.707) 26.740 3.807 ( -5.751 -3.791 0.700) 6.923 3.960 ( -2.062 -2.779 -4.232) 5.467 4.068 ( -0.306 -2.470 2.200) 3.321 4.244 ( -4.915 -4.361 5.553) 8.603 4.294 ( 5.837 -3.627 5.545) 8.830 5.078 ( -4.261 -1.788 -2.216) 5.125 5.134 ( 2.333 -3.049 5.142) 6.417 5.660 ( 0.050 -5.846 -0.680) 5.885 5.774 ( -2.334 -3.543 -1.305) 4.438 5.881 ( -1.005 5.435 -1.413) 5.705 5.929 ( 0.728 2.337 1.612) 2.931 6.077 ( 1.839 9.357 -0.936) 9.581 6.163 ( -1.516 10.287 1.708) 10.537 6.280 ( -2.333 -2.154 -0.015) 3.176 6.380 ( -0.066 -0.969 -1.820) 2.063 6.425 ( 1.716 3.526 -0.328) 3.935 6.546 ( -0.069 1.725 -2.800) 3.289 6.579 ( -0.917 3.877 1.823) 4.381 6.677 ( -2.424 1.967 -2.248) 3.847 6.713 ( -1.734 -0.894 -0.766) 2.096 6.770 ( 1.264 4.296 -1.555) 4.740 6.843 ( 0.877 2.953 -0.944) 3.222 6.884 ( -0.252 2.578 0.428) 2.626 7.010 ( -2.571 0.755 -1.820) 3.240 7.030 ( -0.649 -2.196 2.612) 3.474 7.306 ( 1.611 -1.758 0.130) 2.388 7.420 ( 1.786 1.713 -1.332) 2.811 7.444 ( 0.971 1.594 0.431) 1.916 7.474 ( 2.324 4.499 2.208) 5.524 7.585 ( -1.480 0.738 2.916) 3.352 7.897 ( -1.435 0.149 3.569) 3.850 8.172 ( 0.254 2.480 1.525) 2.922 8.465 ( 3.018 -0.981 -1.811) 3.654 8.529 ( -1.526 0.028 0.160) 1.534 8.629 ( 0.506 -1.192 -7.125) 7.242 8.786 ( -2.601 -1.975 -0.069) 3.267 9.001 ( 3.739 -3.706 -2.005) 5.634 9.398 ( 2.070 -2.265 9.962) 10.424 9.890 ( 0.291 -4.347 -4.947) 6.592 9.989 ( -4.132 -4.151 1.197) 5.978 10.138 ( -2.168 -7.242 1.979) 7.814 ======================= Grid point 73 (30/91) ======================= q-point: (-0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -13.786 9.827 -1.796) 17.024 0.988 ( -14.999 15.465 4.156) 21.941 1.351 ( 6.587 10.103 5.721) 13.349 1.538 ( 12.749 4.536 7.735) 15.586 1.631 ( 5.286 6.695 -9.682) 12.904 1.679 ( -5.426 4.023 1.994) 7.043 1.784 ( -11.803 5.068 5.009) 13.787 1.837 ( -2.241 6.983 -4.871) 8.804 1.948 ( -0.089 9.946 3.917) 10.689 2.060 ( -2.292 0.366 -8.044) 8.372 2.117 ( 0.157 9.572 -3.419) 10.166 2.218 ( 1.328 10.592 0.579) 10.691 2.373 ( -0.285 3.212 -12.078) 12.501 2.503 ( -0.648 9.619 -3.066) 10.116 2.640 ( 1.464 6.634 3.076) 7.457 2.806 ( 9.434 5.152 11.688) 15.879 2.901 ( 2.031 5.002 10.942) 12.201 3.357 ( 9.777 3.695 -22.529) 24.835 3.376 ( 9.439 0.687 10.509) 14.143 3.627 ( -10.648 -2.033 -6.478) 12.629 3.809 ( -6.566 -0.764 -11.186) 12.993 4.066 ( -3.827 -3.813 4.874) 7.276 4.219 ( -2.004 -4.074 7.972) 9.174 4.401 ( 0.694 -4.361 4.026) 5.976 5.034 ( 0.975 -1.366 -0.419) 1.730 5.244 ( 4.355 -6.621 6.527) 10.267 5.589 ( -4.781 -3.151 -5.391) 7.864 5.756 ( 1.032 -3.600 -0.432) 3.770 5.865 ( 0.448 4.915 -1.619) 5.194 5.974 ( 1.986 2.679 3.793) 5.050 6.130 ( 3.247 7.668 0.371) 8.336 6.168 ( 1.394 11.130 2.516) 11.495 6.234 ( -1.531 -0.469 -2.257) 2.767 6.351 ( -1.244 -0.174 -2.371) 2.683 6.430 ( -0.521 3.515 -1.063) 3.709 6.541 ( 1.114 0.803 -3.226) 3.506 6.589 ( 0.598 4.373 1.524) 4.669 6.632 ( -0.164 0.802 -3.780) 3.867 6.675 ( -1.703 1.348 -0.543) 2.238 6.774 ( 0.123 5.636 -2.462) 6.151 6.841 ( -0.846 3.420 -1.515) 3.835 6.866 ( -1.270 1.339 0.457) 1.901 6.962 ( 0.257 -0.027 1.112) 1.142 7.092 ( 3.680 -3.207 1.601) 5.137 7.322 ( -0.122 -0.878 0.549) 1.043 7.431 ( 0.348 1.823 -0.048) 1.856 7.450 ( 0.444 2.242 -1.166) 2.566 7.537 ( 0.981 4.263 3.619) 5.677 7.592 ( -0.358 0.804 3.476) 3.586 7.841 ( -5.499 0.281 1.883) 5.819 8.236 ( 3.881 2.080 3.458) 5.599 8.494 ( -1.564 -2.482 0.551) 2.985 8.511 ( 2.200 1.705 -0.582) 2.844 8.592 ( 1.754 -1.404 -11.993) 12.201 8.738 ( -3.358 -2.550 3.099) 5.233 9.038 ( 1.536 -2.637 -1.317) 3.324 9.515 ( 2.959 -4.394 9.629) 10.990 9.845 ( -0.843 -3.951 -6.171) 7.376 9.937 ( -2.491 -4.037 2.966) 5.594 10.125 ( 0.040 -6.217 0.559) 6.242 ======================= Grid point 74 (31/91) ======================= q-point: (-0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -12.127 15.261 4.552) 20.016 0.736 ( -15.723 14.959 9.401) 23.650 1.323 ( -24.400 25.294 22.122) 41.527 1.437 ( 1.400 12.169 -0.276) 12.253 1.653 ( 1.767 3.994 -6.093) 7.497 1.693 ( 2.684 1.928 -6.032) 6.878 1.758 ( 5.554 1.953 -2.894) 6.560 1.917 ( 0.234 1.275 -2.330) 2.666 2.002 ( 1.220 4.134 -5.468) 6.963 2.056 ( 9.921 7.548 4.689) 13.318 2.111 ( 0.820 9.907 -2.028) 10.146 2.241 ( 1.425 13.604 -1.310) 13.741 2.394 ( 6.142 0.899 -3.005) 6.896 2.477 ( -0.175 7.220 -2.649) 7.693 2.647 ( -1.281 6.616 2.005) 7.031 2.825 ( -2.461 2.190 3.185) 4.582 3.124 ( 1.856 2.510 5.128) 6.004 3.378 ( -3.821 2.208 -17.783) 18.322 3.420 ( 10.472 4.072 -15.592) 19.218 3.561 ( -3.447 -2.682 13.641) 14.323 3.703 ( 6.201 1.378 -2.206) 6.724 3.985 ( -7.671 -3.327 4.778) 9.630 4.233 ( -4.077 -4.245 10.405) 11.954 4.383 ( -1.503 -4.170 -2.188) 4.943 5.090 ( 3.748 -1.757 0.485) 4.168 5.310 ( -1.931 -8.937 1.797) 9.318 5.505 ( -0.022 0.452 0.341) 0.566 5.790 ( 2.410 -3.495 0.452) 4.269 5.872 ( 1.026 4.254 -0.896) 4.467 6.023 ( 0.058 0.704 2.260) 2.368 6.161 ( 0.854 4.461 -0.370) 4.557 6.201 ( -0.066 4.056 -0.627) 4.105 6.282 ( 6.663 7.417 2.796) 10.355 6.315 ( -1.017 -0.869 -3.111) 3.386 6.414 ( 0.600 4.613 -1.949) 5.044 6.527 ( 0.023 2.885 -1.959) 3.487 6.581 ( -0.749 2.228 -0.848) 2.498 6.635 ( 0.538 5.328 2.491) 5.906 6.678 ( 3.430 3.632 -5.103) 7.141 6.773 ( 3.338 6.312 -3.395) 7.906 6.814 ( -0.408 1.860 -1.848) 2.654 6.860 ( -0.312 0.562 1.094) 1.269 6.996 ( 0.953 -1.120 2.994) 3.335 7.169 ( 3.528 -2.845 0.566) 4.567 7.299 ( -3.071 -1.777 0.039) 3.548 7.434 ( -0.179 1.556 0.384) 1.612 7.441 ( -1.188 3.175 -1.184) 3.590 7.505 ( -3.850 2.790 -2.400) 5.326 7.643 ( 2.042 3.182 6.875) 7.846 7.765 ( -3.138 0.516 1.194) 3.397 8.295 ( -0.315 -0.673 0.955) 1.211 8.490 ( 0.804 2.607 2.589) 3.761 8.527 ( 0.629 -2.503 -10.045) 10.371 8.578 ( 6.051 3.236 -4.792) 8.369 8.706 ( -2.122 -2.685 1.793) 3.863 9.039 ( -0.152 -0.931 -3.273) 3.406 9.518 ( -7.954 -6.889 0.132) 10.524 9.863 ( 4.224 -3.344 -0.836) 5.452 9.962 ( 2.200 -8.248 12.577) 15.200 10.140 ( 1.033 -5.849 0.167) 5.942 ======================= Grid point 75 (32/91) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 1.577 19.830 6.867) 21.045 0.977 ( -0.994 19.576 7.080) 20.840 1.593 ( -5.314 5.409 -12.094) 14.274 1.684 ( -1.725 8.980 -7.519) 11.839 1.737 ( -1.163 14.860 -1.065) 14.944 1.873 ( 2.194 15.339 1.320) 15.552 1.933 ( -0.759 20.623 3.934) 21.009 2.029 ( 6.384 3.665 3.280) 8.059 2.124 ( -0.084 6.373 1.896) 6.650 2.290 ( -2.197 9.819 1.563) 10.182 2.408 ( 3.366 3.074 -1.281) 4.735 2.490 ( 7.419 7.028 1.997) 10.413 2.525 ( -0.728 10.228 -3.402) 10.804 2.614 ( -2.524 8.917 -1.954) 9.471 2.801 ( 2.621 6.781 -2.864) 7.814 2.960 ( 2.321 13.305 1.631) 13.604 3.037 ( -10.547 4.914 0.684) 11.655 3.359 ( -1.866 6.497 -7.739) 10.275 3.540 ( -2.166 4.872 -4.207) 6.792 3.632 ( 5.858 3.745 -1.462) 7.105 3.829 ( 0.262 -3.328 2.869) 4.402 3.905 ( 4.344 0.319 8.749) 9.774 4.089 ( -4.279 -6.194 5.665) 9.422 4.229 ( -0.662 -7.853 -3.631) 8.678 5.099 ( 0.506 -2.091 0.205) 2.161 5.186 ( -1.213 -2.939 -1.080) 3.358 5.548 ( 1.485 1.192 0.623) 2.004 5.751 ( 0.417 -3.333 2.184) 4.007 5.926 ( 0.643 -1.562 -0.880) 1.904 6.026 ( -1.915 4.341 0.450) 4.766 6.213 ( -1.222 -0.569 1.498) 2.015 6.244 ( 0.633 1.400 2.796) 3.190 6.275 ( 0.398 0.597 -3.419) 3.493 6.415 ( 1.007 3.425 0.946) 3.693 6.483 ( -0.655 2.183 -0.223) 2.290 6.627 ( 1.118 4.075 0.557) 4.262 6.650 ( -0.560 2.297 1.406) 2.750 6.697 ( 0.120 0.253 0.521) 0.591 6.778 ( -2.170 0.961 -2.383) 3.364 6.831 ( 1.851 3.984 -3.327) 5.511 6.897 ( 3.997 4.029 -1.447) 5.857 6.978 ( 2.319 5.488 -2.448) 6.441 7.021 ( 1.015 1.067 2.535) 2.932 7.169 ( -3.309 -0.723 0.208) 3.394 7.203 ( -0.811 0.308 0.986) 1.314 7.451 ( -1.779 2.916 -1.624) 3.782 7.512 ( -1.799 7.269 0.083) 7.488 7.526 ( 1.126 4.050 -1.543) 4.478 7.697 ( -2.691 -1.266 -0.547) 3.024 7.827 ( 1.534 5.531 5.885) 8.221 8.214 ( -1.416 -3.776 0.752) 4.103 8.389 ( -0.430 -4.449 -6.166) 7.616 8.588 ( -1.708 -5.397 2.776) 6.305 8.630 ( 3.067 1.142 -2.058) 3.866 8.724 ( 9.057 0.691 -9.176) 12.912 8.994 ( -2.548 0.801 -8.197) 8.621 9.259 ( -7.315 -5.223 11.620) 14.691 9.793 ( 1.081 -6.564 -2.769) 7.206 9.866 ( 0.486 -10.040 8.401) 13.100 9.997 ( -0.143 -9.548 0.118) 9.550 ======================= Grid point 76 (33/91) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 6.934 16.902 7.756) 19.847 1.119 ( 11.793 14.149 8.786) 20.408 1.440 ( -3.091 7.455 -11.701) 14.214 1.600 ( -1.409 8.858 -4.201) 9.905 1.703 ( -1.956 16.177 -2.312) 16.458 1.855 ( 1.065 10.758 -12.593) 16.597 1.983 ( -1.587 11.855 4.270) 12.700 2.105 ( -0.993 8.460 3.185) 9.094 2.167 ( 4.801 8.481 5.166) 11.031 2.269 ( -3.636 8.510 4.492) 10.287 2.380 ( -2.719 5.428 -0.239) 6.075 2.461 ( -2.589 10.518 -2.663) 11.155 2.578 ( 0.867 7.732 -2.523) 8.179 2.639 ( 4.965 6.834 -2.837) 8.911 2.864 ( 2.954 7.387 3.152) 8.557 2.917 ( -0.232 7.097 -0.037) 7.101 3.020 ( 1.983 16.834 4.131) 17.447 3.200 ( -12.522 9.183 -0.694) 15.544 3.474 ( 3.968 9.653 -15.722) 18.871 3.725 ( 3.402 -2.986 0.731) 4.586 3.850 ( -0.690 -5.380 3.929) 6.698 4.032 ( 0.435 -3.054 6.751) 7.423 4.083 ( 2.712 -3.461 5.701) 7.200 4.183 ( -1.899 -8.077 -4.225) 9.311 5.080 ( -2.181 -1.888 1.206) 3.127 5.128 ( -3.894 -2.477 -1.803) 4.955 5.580 ( 1.456 -0.361 0.067) 1.501 5.751 ( -1.684 -2.983 1.427) 3.711 5.910 ( -0.791 -0.863 -0.629) 1.329 6.033 ( 1.206 6.044 0.511) 6.185 6.198 ( -0.666 1.537 -1.663) 2.360 6.274 ( 1.574 -0.033 2.760) 3.177 6.288 ( 1.259 0.799 0.569) 1.596 6.417 ( -2.559 4.936 2.082) 5.937 6.445 ( -0.984 0.723 -2.720) 2.981 6.640 ( -0.899 0.751 0.922) 1.490 6.653 ( -0.023 4.904 -0.033) 4.904 6.713 ( 0.934 2.111 0.622) 2.390 6.733 ( -0.258 -0.100 -3.108) 3.120 6.827 ( 0.811 1.697 -1.735) 2.559 6.934 ( -0.489 4.904 -0.422) 4.946 6.973 ( -1.159 5.003 -1.367) 5.315 7.027 ( -1.631 1.418 3.411) 4.038 7.112 ( -2.513 0.927 -1.162) 2.920 7.240 ( 3.750 1.320 -0.030) 3.975 7.429 ( 1.347 4.077 -2.245) 4.845 7.499 ( -0.377 4.866 0.212) 4.886 7.538 ( 0.816 3.592 -0.269) 3.694 7.636 ( -2.824 1.674 1.340) 3.546 7.895 ( 1.362 3.371 4.375) 5.689 8.199 ( -0.331 -1.711 -0.437) 1.797 8.369 ( 1.397 -4.431 -2.624) 5.336 8.564 ( -2.178 -3.531 1.299) 4.347 8.642 ( 1.307 0.383 -6.126) 6.276 8.831 ( 3.816 -0.004 -2.780) 4.721 8.855 ( -3.207 -2.712 -6.485) 7.726 9.267 ( -0.914 -3.513 11.107) 11.685 9.793 ( 0.887 -6.894 -3.427) 7.750 9.898 ( -1.308 -9.179 4.622) 10.360 9.981 ( -1.821 -9.950 0.997) 10.164 ======================= Grid point 77 (34/91) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -4.060 12.251 -4.920) 13.812 1.303 ( 9.918 10.506 4.819) 15.230 1.389 ( 4.547 12.238 5.222) 14.061 1.617 ( -2.500 15.880 3.129) 16.377 1.658 ( 8.417 7.657 -4.579) 12.265 1.807 ( 3.213 10.856 -13.902) 17.929 1.879 ( -7.209 2.830 -0.569) 7.765 2.130 ( 0.180 7.209 -0.460) 7.226 2.177 ( -3.187 6.914 -3.394) 8.335 2.251 ( -0.169 9.897 2.497) 10.208 2.366 ( -2.069 5.258 1.686) 5.897 2.425 ( -0.139 10.492 0.024) 10.493 2.583 ( -4.931 9.200 -8.049) 13.181 2.663 ( 5.183 13.074 6.545) 15.512 2.876 ( -0.458 11.894 3.045) 12.286 2.942 ( -9.466 17.032 -0.422) 19.490 3.007 ( 0.500 9.685 7.979) 12.558 3.163 ( 8.355 7.264 7.490) 13.367 3.473 ( 6.684 9.717 -17.323) 20.957 3.715 ( -4.668 -4.968 -0.076) 6.817 3.870 ( 0.836 -6.031 -1.809) 6.352 4.027 ( -2.136 -1.419 -0.249) 2.576 4.107 ( -1.996 -9.439 -1.590) 9.778 4.211 ( 2.709 -4.505 9.787) 11.110 5.040 ( -2.918 -2.087 -1.865) 4.044 5.074 ( 0.059 -2.589 2.627) 3.689 5.596 ( 0.454 -0.752 -0.984) 1.319 5.713 ( -2.186 -2.418 -0.815) 3.360 5.902 ( 0.135 -0.027 -0.915) 0.925 6.058 ( 0.923 6.606 1.445) 6.825 6.192 ( 1.119 1.319 -1.608) 2.362 6.254 ( -3.000 0.246 1.806) 3.510 6.339 ( -0.385 5.674 3.038) 6.448 6.377 ( -0.366 1.815 -3.004) 3.529 6.456 ( 3.415 -0.229 -0.306) 3.436 6.610 ( -1.561 2.282 -2.914) 4.017 6.642 ( -1.110 1.924 2.141) 3.085 6.689 ( -2.320 0.111 -2.846) 3.673 6.736 ( 1.003 5.434 0.864) 5.593 6.850 ( 1.120 2.151 -1.278) 2.741 6.916 ( 0.099 4.285 0.330) 4.299 6.978 ( 1.571 4.591 0.930) 4.941 7.004 ( -2.412 0.502 -0.176) 2.470 7.043 ( -2.951 3.951 -1.242) 5.085 7.297 ( 1.415 1.003 1.490) 2.286 7.454 ( 1.868 2.044 -1.648) 3.222 7.496 ( 0.023 3.790 0.044) 3.790 7.557 ( 0.967 2.483 1.724) 3.174 7.640 ( 1.933 5.631 1.601) 6.165 7.911 ( -2.677 1.699 3.632) 4.821 8.204 ( 1.260 -0.288 0.454) 1.370 8.395 ( 2.216 -5.064 -0.961) 5.610 8.533 ( -1.776 -1.090 1.340) 2.477 8.612 ( 0.501 -0.152 -7.685) 7.703 8.728 ( -4.327 -3.802 -1.869) 6.055 8.922 ( 4.484 -3.357 -1.982) 5.942 9.338 ( 0.946 -3.678 10.093) 10.784 9.777 ( 0.089 -6.902 -4.792) 8.403 9.882 ( -2.458 -6.472 1.267) 7.038 9.956 ( -1.206 -10.633 1.649) 10.828 ======================= Grid point 78 (35/91) ======================= q-point: (-0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -7.694 15.574 -3.907) 17.805 1.280 ( -13.628 14.115 1.966) 19.718 1.551 ( 10.797 9.113 5.663) 15.221 1.686 ( 2.836 9.232 3.418) 10.245 1.786 ( -0.322 8.917 -5.128) 10.292 1.795 ( 3.309 8.158 -7.319) 11.449 1.871 ( 12.798 5.771 -0.380) 14.044 2.075 ( -3.297 2.470 -6.373) 7.589 2.136 ( -6.534 12.458 1.387) 14.136 2.176 ( -3.820 16.404 0.614) 16.854 2.315 ( -1.521 10.186 1.130) 10.361 2.443 ( 0.553 10.466 -3.566) 11.070 2.461 ( 1.326 7.279 -3.970) 8.396 2.761 ( -2.208 11.906 3.874) 12.714 2.815 ( -0.245 13.583 -4.071) 14.181 2.908 ( -2.289 6.101 6.758) 9.388 3.104 ( 5.138 13.904 9.972) 17.865 3.377 ( 6.115 0.707 11.771) 13.283 3.500 ( 7.154 10.326 -13.585) 18.503 3.585 ( -6.370 -1.338 -5.873) 8.767 3.794 ( -3.408 -0.921 -9.879) 10.491 3.979 ( -3.861 -4.288 2.662) 6.354 4.103 ( 0.171 -7.678 2.815) 8.180 4.284 ( -0.792 -7.069 6.255) 9.472 5.009 ( 0.988 -1.017 -0.818) 1.637 5.127 ( 3.163 -4.882 2.326) 6.265 5.572 ( -1.716 1.014 -2.677) 3.338 5.690 ( 0.545 -2.567 -0.328) 2.644 5.898 ( 0.190 0.062 -0.879) 0.901 6.090 ( 0.834 6.695 2.810) 7.308 6.188 ( -1.157 -1.592 -0.902) 2.165 6.237 ( 0.746 1.018 0.451) 1.340 6.345 ( -0.155 3.995 0.946) 4.108 6.350 ( -0.618 3.001 -1.066) 3.244 6.496 ( -0.076 0.922 -0.503) 1.053 6.592 ( 1.910 2.084 -2.601) 3.841 6.633 ( -0.492 3.464 -0.599) 3.550 6.658 ( 1.315 0.953 -1.285) 2.071 6.754 ( 0.006 6.229 1.015) 6.311 6.840 ( -0.409 1.854 -1.743) 2.577 6.913 ( -1.923 3.602 0.841) 4.169 6.945 ( -0.864 1.713 -1.399) 2.375 6.995 ( -0.935 6.985 0.652) 7.077 7.062 ( 4.617 0.576 -0.366) 4.667 7.309 ( -1.247 -0.056 1.750) 2.150 7.473 ( 0.911 2.557 -0.356) 2.737 7.498 ( 0.552 2.340 -0.994) 2.602 7.603 ( 2.669 2.107 2.095) 3.994 7.670 ( -1.667 7.216 2.427) 7.794 7.857 ( -4.246 1.653 2.864) 5.381 8.241 ( 1.071 -2.739 1.559) 3.329 8.430 ( 1.982 -4.241 -0.349) 4.695 8.528 ( 0.183 0.033 2.406) 2.413 8.575 ( 2.260 0.139 -10.832) 11.066 8.662 ( -1.885 -4.727 -1.079) 5.202 8.981 ( 2.896 -2.673 -0.737) 4.009 9.410 ( -0.987 -5.916 9.542) 11.271 9.745 ( 0.228 -6.003 -3.873) 7.147 9.836 ( -2.642 -6.022 0.743) 6.618 9.962 ( 0.858 -9.862 0.606) 9.918 ======================= Grid point 79 (36/91) ======================= q-point: (-0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -6.005 19.884 -0.010) 20.771 1.049 ( -11.740 16.943 5.642) 21.371 1.707 ( 1.337 9.933 -1.766) 10.177 1.735 ( 1.335 10.290 0.877) 10.413 1.751 ( 1.058 6.257 -8.580) 10.671 1.829 ( 2.394 10.341 0.780) 10.644 1.941 ( -4.813 11.200 0.133) 12.191 1.971 ( -4.604 17.479 3.559) 18.422 2.071 ( 6.879 4.198 -2.884) 8.559 2.263 ( 6.539 11.394 2.952) 13.465 2.321 ( 1.193 9.991 -2.251) 10.311 2.422 ( 2.561 2.847 -4.989) 6.289 2.512 ( 2.902 10.866 -0.677) 11.267 2.687 ( -4.631 13.501 0.077) 14.273 2.801 ( -1.259 8.463 0.078) 8.556 2.917 ( 1.032 7.738 1.712) 7.992 3.200 ( -4.438 4.268 4.256) 7.485 3.415 ( -3.595 1.345 1.328) 4.062 3.533 ( 3.783 4.039 -3.304) 6.445 3.559 ( 4.939 8.272 -6.685) 11.726 3.749 ( 5.164 3.385 -2.688) 6.734 3.904 ( -6.129 -4.380 4.064) 8.559 4.117 ( -1.772 -7.476 4.631) 8.971 4.268 ( -2.622 -7.242 0.978) 7.764 5.055 ( 3.500 -1.629 -0.174) 3.864 5.186 ( 1.641 -4.555 0.395) 4.858 5.534 ( -0.286 2.368 -1.133) 2.641 5.717 ( 1.692 -3.075 1.126) 3.686 5.905 ( 1.292 -0.545 -0.773) 1.601 6.084 ( -3.647 4.398 1.879) 6.014 6.192 ( 2.444 -0.292 0.426) 2.498 6.240 ( -1.619 -0.347 1.180) 2.033 6.310 ( -1.566 0.830 -1.840) 2.555 6.379 ( 1.898 3.693 1.032) 4.278 6.484 ( -0.052 2.147 -0.541) 2.215 6.617 ( 1.454 1.628 -2.434) 3.270 6.634 ( 0.832 5.445 1.102) 5.618 6.691 ( 1.409 0.508 -0.119) 1.503 6.764 ( 2.377 5.354 -0.499) 5.879 6.830 ( 0.358 2.176 -2.485) 3.322 6.880 ( -0.947 3.577 -1.278) 3.915 6.949 ( 1.535 5.261 -1.004) 5.571 6.992 ( 0.461 2.856 0.640) 2.963 7.143 ( 3.590 0.088 0.393) 3.612 7.271 ( -4.181 -0.763 1.759) 4.600 7.477 ( -0.301 2.671 -0.411) 2.719 7.510 ( 1.625 1.923 -1.993) 3.211 7.593 ( -6.320 7.509 1.633) 9.950 7.680 ( 3.723 0.580 0.735) 3.839 7.814 ( -3.073 4.445 4.215) 6.854 8.240 ( -1.900 -4.881 1.541) 5.460 8.440 ( 0.136 -5.746 -5.767) 8.142 8.564 ( 2.561 3.551 2.561) 5.072 8.583 ( 1.820 -3.313 -0.809) 3.865 8.651 ( 4.509 -1.355 -8.922) 10.088 9.019 ( 1.988 -1.057 -2.075) 3.061 9.373 ( -8.148 -7.378 5.671) 12.369 9.774 ( 3.300 -5.607 0.907) 6.569 9.808 ( -1.325 -7.494 3.686) 8.456 9.985 ( 1.179 -9.512 -0.035) 9.584 ======================= Grid point 80 (37/91) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -0.073 17.537 4.529) 18.113 1.366 ( 0.686 19.533 0.618) 19.554 1.718 ( -4.152 7.330 -8.749) 12.145 1.847 ( -1.262 8.505 -4.189) 9.564 1.980 ( 2.970 5.342 -7.595) 9.749 2.041 ( 1.428 10.485 -1.993) 10.767 2.131 ( 6.516 7.423 2.703) 10.241 2.214 ( -0.343 5.481 -3.989) 6.788 2.326 ( -2.010 6.776 0.807) 7.114 2.432 ( 1.291 1.033 -0.552) 1.743 2.494 ( -1.301 10.220 1.873) 10.472 2.642 ( 4.190 5.540 -6.435) 9.469 2.726 ( 4.002 12.178 2.548) 13.070 2.844 ( -3.652 11.339 0.082) 11.913 2.912 ( -4.753 8.228 6.813) 11.692 3.096 ( -3.911 -0.396 7.593) 8.550 3.217 ( 5.138 11.369 -0.556) 12.489 3.525 ( -5.165 8.449 5.732) 11.442 3.654 ( 2.270 7.357 -4.531) 8.934 3.779 ( -1.832 6.137 -1.190) 6.514 3.836 ( 0.393 10.225 -2.654) 10.571 3.907 ( 3.027 -4.331 -2.012) 5.654 3.957 ( 0.680 -2.059 2.195) 3.086 4.100 ( -2.090 -3.509 2.569) 4.825 5.062 ( 0.478 -1.586 -0.167) 1.665 5.142 ( -0.559 -1.604 -1.004) 1.973 5.588 ( 0.837 2.576 -1.075) 2.914 5.708 ( 0.139 -0.947 2.753) 2.915 5.902 ( 0.086 -0.351 0.392) 0.533 6.084 ( -0.110 2.018 -0.141) 2.026 6.197 ( -0.654 -1.057 1.528) 1.970 6.248 ( 2.487 -0.430 0.169) 2.529 6.288 ( -2.174 0.721 -0.239) 2.303 6.428 ( 0.230 -1.979 2.653) 3.318 6.524 ( -0.544 1.891 0.597) 2.056 6.644 ( 0.713 -0.223 -1.578) 1.746 6.684 ( -0.411 1.206 0.010) 1.275 6.732 ( 0.141 2.063 1.154) 2.368 6.820 ( -1.148 2.729 -2.880) 4.130 6.931 ( -0.207 5.064 -1.809) 5.381 6.970 ( 2.944 3.097 -0.646) 4.322 7.052 ( 0.935 2.735 0.903) 3.029 7.110 ( -0.152 6.760 0.408) 6.774 7.153 ( -2.751 -0.943 2.074) 3.572 7.235 ( 1.590 2.697 -0.042) 3.131 7.479 ( 1.145 0.162 -3.642) 3.821 7.544 ( -0.411 -1.176 -0.509) 1.346 7.681 ( -3.109 5.839 0.666) 6.649 7.740 ( -1.739 7.139 0.151) 7.350 7.922 ( 2.130 3.224 2.436) 4.568 8.112 ( -0.843 -5.860 3.076) 6.672 8.293 ( -0.257 -4.341 -4.191) 6.040 8.439 ( -0.875 -8.450 2.658) 8.901 8.652 ( 5.690 -0.047 -11.403) 12.744 8.770 ( 3.434 4.381 0.028) 5.567 8.993 ( -3.238 -0.762 -5.897) 6.770 9.158 ( -4.436 -4.779 10.960) 12.753 9.645 ( -0.291 -8.068 -0.729) 8.106 9.696 ( 1.106 -7.850 2.654) 8.360 9.801 ( 0.001 -9.914 0.030) 9.915 ======================= Grid point 81 (38/91) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 6.313 14.077 2.410) 15.615 1.427 ( 5.819 17.180 4.039) 18.583 1.623 ( -0.784 10.740 -6.667) 12.666 1.792 ( -1.147 10.216 -2.257) 10.525 1.955 ( 0.448 7.710 -10.283) 12.860 2.046 ( -0.492 9.137 -3.754) 9.891 2.109 ( -6.608 5.710 -4.900) 10.014 2.216 ( 2.143 4.672 -2.442) 5.690 2.352 ( 1.720 4.516 7.506) 8.927 2.421 ( -2.858 6.662 -3.682) 8.131 2.464 ( -0.115 3.750 1.375) 3.996 2.625 ( -1.723 6.712 -4.736) 8.394 2.805 ( 2.998 10.845 -2.454) 11.516 2.843 ( 1.937 12.747 4.860) 13.779 2.956 ( 3.192 4.714 8.957) 10.613 3.096 ( -1.196 8.198 6.348) 10.437 3.296 ( 3.134 8.671 0.308) 9.226 3.442 ( -6.532 13.791 4.442) 15.893 3.663 ( 1.676 5.307 -3.320) 6.480 3.732 ( -2.545 4.250 -1.631) 5.215 3.815 ( 0.177 7.453 -4.477) 8.696 3.913 ( 0.586 -8.467 -3.259) 9.092 4.016 ( 1.749 -0.005 2.940) 3.421 4.095 ( -0.305 -1.157 3.867) 4.048 5.042 ( -2.134 -1.757 -0.104) 2.766 5.095 ( -3.279 -0.986 -0.857) 3.529 5.602 ( 1.329 2.399 -0.930) 2.896 5.713 ( -1.292 -0.908 1.618) 2.261 5.906 ( 0.215 0.486 0.214) 0.573 6.113 ( 2.130 2.644 -0.316) 3.410 6.207 ( -0.772 0.135 2.009) 2.156 6.260 ( 1.950 -1.468 -0.855) 2.586 6.282 ( 0.296 -0.380 1.501) 1.577 6.449 ( 0.058 -0.518 1.600) 1.683 6.500 ( -2.032 2.476 -0.435) 3.232 6.614 ( -1.725 -0.429 -1.248) 2.172 6.689 ( -0.567 -0.697 1.611) 1.845 6.726 ( -1.539 -0.470 -0.657) 1.738 6.809 ( 2.300 4.027 -2.289) 5.172 6.909 ( 0.624 6.494 -1.424) 6.678 7.002 ( -1.468 2.352 1.699) 3.252 7.052 ( -2.967 2.624 1.228) 4.147 7.067 ( 0.146 1.879 -0.549) 1.963 7.156 ( -0.140 3.835 0.446) 3.863 7.295 ( 3.660 3.828 0.436) 5.314 7.492 ( 2.806 2.654 -5.053) 6.361 7.530 ( -0.404 -2.368 1.331) 2.746 7.627 ( -2.656 5.721 0.883) 6.369 7.727 ( 0.599 6.609 -0.510) 6.656 7.974 ( 1.048 3.763 2.824) 4.820 8.126 ( 0.314 -4.887 2.439) 5.471 8.274 ( 1.162 -4.592 -3.917) 6.146 8.441 ( -0.714 -8.168 2.691) 8.629 8.658 ( 2.093 0.630 -9.370) 9.621 8.808 ( -2.083 -0.318 -3.720) 4.275 8.859 ( -3.028 1.482 -0.444) 3.400 9.198 ( 0.317 -3.397 9.200) 9.812 9.640 ( 0.567 -8.517 -2.515) 8.899 9.723 ( 0.107 -8.700 2.627) 9.089 9.789 ( -1.333 -9.123 0.241) 9.223 ======================= Grid point 82 (39/91) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 1.648 10.779 -5.368) 12.154 1.569 ( 5.134 14.263 2.986) 15.450 1.641 ( 3.790 12.774 2.908) 13.638 1.821 ( 5.382 8.581 0.019) 10.129 1.866 ( -3.129 9.002 -2.514) 9.856 1.952 ( -5.882 4.775 -1.343) 7.694 2.007 ( 1.798 9.498 -11.653) 15.141 2.211 ( 0.469 3.892 -5.851) 7.043 2.331 ( -1.818 5.666 -7.098) 9.263 2.437 ( 0.922 7.509 6.097) 9.716 2.472 ( -0.305 6.009 0.079) 6.017 2.577 ( -0.373 4.972 -0.513) 5.012 2.818 ( -0.920 13.617 -2.278) 13.837 2.896 ( 1.012 10.717 3.748) 11.399 3.047 ( -2.007 1.905 6.555) 7.115 3.119 ( -0.708 8.558 8.119) 11.818 3.355 ( -0.510 10.645 5.248) 11.879 3.370 ( 0.409 17.091 0.116) 17.097 3.663 ( -3.486 2.696 -1.587) 4.684 3.686 ( 2.382 2.179 -0.981) 3.374 3.806 ( 3.095 8.930 -8.267) 12.557 3.900 ( 0.518 -9.648 -2.810) 10.062 4.021 ( -1.804 1.259 0.362) 2.230 4.137 ( 0.195 -2.208 6.445) 6.815 5.002 ( -1.385 -1.436 -0.712) 2.118 5.043 ( -1.422 -0.719 0.459) 1.659 5.620 ( 1.118 2.866 -1.084) 3.262 5.685 ( -1.806 -0.400 -0.359) 1.884 5.911 ( 0.204 1.069 -0.326) 1.136 6.133 ( 0.360 1.577 0.058) 1.619 6.190 ( -0.830 -0.233 0.893) 1.241 6.270 ( -2.193 0.910 1.242) 2.679 6.349 ( 4.504 -1.675 -0.477) 4.829 6.450 ( 0.891 0.067 -0.384) 0.972 6.460 ( -1.714 2.947 -0.236) 3.417 6.587 ( -0.816 -1.528 -0.768) 1.895 6.666 ( -1.374 0.424 2.812) 3.159 6.701 ( -1.120 -0.545 -0.915) 1.546 6.847 ( 1.971 4.368 -0.403) 4.809 6.921 ( 0.165 4.596 -1.883) 4.970 6.986 ( 0.152 3.414 0.499) 3.454 7.023 ( -2.542 1.647 1.193) 3.255 7.051 ( 0.537 3.280 -0.683) 3.393 7.143 ( -1.391 4.173 0.753) 4.463 7.338 ( -0.181 3.070 2.009) 3.673 7.495 ( 0.192 1.464 -1.180) 1.891 7.567 ( 2.444 2.324 -1.178) 3.572 7.609 ( 1.364 4.136 -0.971) 4.462 7.759 ( 3.085 5.634 -0.394) 6.435 7.977 ( -3.349 4.693 4.087) 7.067 8.146 ( 0.288 -4.580 1.219) 4.748 8.288 ( 2.483 -5.887 -2.758) 6.959 8.445 ( -0.939 -8.042 3.165) 8.694 8.613 ( -0.449 -0.841 -8.634) 8.687 8.692 ( -3.408 1.872 -2.712) 4.741 8.890 ( 2.643 -0.082 0.220) 2.654 9.263 ( 0.134 -3.783 8.968) 9.734 9.628 ( 0.268 -8.232 -3.747) 9.048 9.740 ( 0.447 -9.704 1.702) 9.863 9.757 ( -2.177 -7.210 0.025) 7.531 ======================= Grid point 83 (40/91) ======================= q-point: (-0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -2.884 15.712 -4.464) 16.586 1.543 ( -10.289 12.566 0.267) 16.243 1.730 ( 7.369 9.419 3.617) 12.494 1.840 ( -1.660 7.164 1.133) 7.441 1.942 ( 3.287 6.599 -5.623) 9.272 1.974 ( 9.730 6.420 -2.687) 11.963 2.015 ( 5.022 10.169 -0.471) 11.351 2.148 ( -3.002 5.450 -6.491) 8.992 2.293 ( 4.121 5.817 -8.320) 10.956 2.423 ( 0.213 5.810 -6.459) 8.690 2.490 ( -1.670 6.410 5.627) 8.691 2.590 ( -0.088 5.128 2.709) 5.801 2.739 ( -4.940 19.373 -0.688) 20.005 2.951 ( 1.929 9.665 2.741) 10.229 3.005 ( -3.942 2.345 5.393) 7.080 3.110 ( -4.621 9.732 3.151) 11.225 3.319 ( -6.454 8.340 7.229) 12.786 3.452 ( 3.958 6.213 2.089) 7.657 3.620 ( 0.411 6.168 -1.301) 6.317 3.737 ( 3.730 3.437 -0.363) 5.085 3.813 ( 3.439 13.681 -7.946) 16.190 3.901 ( 0.229 -8.058 -1.940) 8.292 3.976 ( -2.210 0.572 -0.781) 2.412 4.158 ( -2.316 -4.404 5.897) 7.716 4.995 ( 1.174 -0.429 -0.701) 1.433 5.061 ( 2.649 -1.900 0.695) 3.333 5.615 ( -0.809 3.011 -1.757) 3.579 5.665 ( 0.266 0.210 -0.153) 0.372 5.907 ( -0.366 1.071 -0.327) 1.178 6.141 ( 0.659 -0.700 -0.240) 0.991 6.192 ( -0.511 0.424 2.500) 2.587 6.229 ( -2.041 0.573 -1.092) 2.384 6.350 ( -2.137 -1.150 0.358) 2.452 6.438 ( -0.359 2.865 -1.352) 3.188 6.497 ( 1.870 -0.055 0.502) 1.937 6.586 ( 1.571 -1.758 -1.449) 2.767 6.680 ( 0.393 1.590 2.599) 3.073 6.698 ( 1.268 1.951 0.789) 2.457 6.857 ( -0.556 4.094 -0.215) 4.137 6.893 ( -0.763 2.604 -2.267) 3.536 6.968 ( -1.239 2.010 -0.562) 2.427 7.012 ( 1.004 5.319 1.154) 5.535 7.102 ( 3.164 3.592 -0.703) 4.838 7.117 ( -1.314 3.901 0.842) 4.202 7.321 ( -2.639 1.214 1.621) 3.327 7.497 ( 0.407 -0.355 -0.075) 0.546 7.564 ( -1.229 4.254 -0.461) 4.452 7.658 ( 3.687 3.582 -2.146) 5.570 7.813 ( 2.147 5.741 -0.923) 6.199 7.915 ( -5.589 4.845 5.171) 9.025 8.144 ( -1.402 -5.858 1.384) 6.180 8.321 ( 2.230 -6.526 -2.086) 7.205 8.445 ( -1.282 -8.549 3.170) 9.207 8.574 ( 3.110 -1.134 -9.668) 10.219 8.662 ( 1.285 5.150 -1.746) 5.588 8.943 ( 2.882 -1.131 0.548) 3.145 9.295 ( -3.174 -5.585 8.101) 10.339 9.616 ( 0.966 -7.084 -1.777) 7.367 9.710 ( -2.294 -6.919 -0.812) 7.334 9.765 ( 1.239 -9.388 0.613) 9.489 ======================= Grid point 84 (41/91) ======================= q-point: (-0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -4.887 17.682 0.201) 18.346 1.388 ( -4.644 17.442 0.958) 18.075 1.823 ( 0.495 5.267 -0.482) 5.312 1.855 ( 1.260 6.620 -4.937) 8.354 1.976 ( 5.833 6.042 0.427) 8.409 2.012 ( -2.230 8.332 -5.870) 10.433 2.048 ( 1.402 10.275 -3.978) 11.107 2.174 ( 7.036 6.375 -2.571) 9.836 2.348 ( 2.781 8.431 -3.608) 9.583 2.407 ( 2.747 1.328 -5.980) 6.713 2.477 ( -1.090 6.770 4.276) 8.081 2.602 ( 0.873 8.615 0.800) 8.696 2.684 ( -1.145 15.999 1.859) 16.147 2.919 ( -4.358 6.855 1.787) 8.317 3.009 ( -7.629 14.106 4.213) 16.581 3.069 ( 4.739 3.320 0.941) 5.862 3.212 ( -7.774 0.887 6.341) 10.071 3.529 ( 1.459 7.466 4.150) 8.665 3.635 ( 2.065 7.036 -2.727) 7.823 3.806 ( 2.041 11.800 -0.182) 11.976 3.834 ( 2.701 5.716 -4.051) 7.508 3.860 ( -1.151 2.695 -1.251) 3.186 3.957 ( 0.259 -6.401 -1.434) 6.565 4.133 ( -3.494 -4.824 4.323) 7.360 5.030 ( 2.628 -0.835 -0.528) 2.807 5.121 ( 2.893 -2.138 -0.122) 3.599 5.590 ( -0.270 3.059 -1.728) 3.524 5.683 ( 0.829 -0.299 1.720) 1.933 5.899 ( -0.131 0.443 0.027) 0.462 6.123 ( -3.049 0.005 0.272) 3.061 6.201 ( 1.191 1.157 1.097) 1.991 6.209 ( -0.044 -1.975 -0.457) 2.027 6.318 ( -1.981 -0.412 1.798) 2.707 6.423 ( -0.439 0.577 -0.434) 0.845 6.519 ( 0.558 1.588 0.510) 1.758 6.615 ( 2.857 -1.475 -2.335) 3.974 6.694 ( -0.508 1.802 0.769) 2.024 6.723 ( 0.358 2.798 1.215) 3.071 6.852 ( -0.641 3.055 0.100) 3.123 6.887 ( 2.340 3.586 -1.331) 4.484 6.968 ( 0.765 3.260 -0.925) 3.474 7.029 ( 0.728 5.282 -0.263) 5.338 7.094 ( -0.066 5.318 0.089) 5.319 7.157 ( 1.830 1.219 0.330) 2.224 7.268 ( -3.983 0.360 1.438) 4.250 7.495 ( -0.523 -1.576 -1.542) 2.267 7.545 ( 0.163 2.380 -0.731) 2.495 7.699 ( 1.870 3.274 -2.170) 4.350 7.790 ( -4.472 10.314 3.091) 11.659 7.887 ( 0.011 1.503 1.944) 2.457 8.121 ( -2.010 -6.262 2.524) 7.044 8.324 ( -0.104 -5.531 -3.102) 6.342 8.440 ( -1.204 -8.562 2.923) 9.127 8.603 ( 6.985 -0.796 -11.877) 13.802 8.704 ( 3.412 6.051 0.069) 6.947 8.999 ( 2.812 -1.015 -0.613) 3.052 9.238 ( -7.607 -6.409 6.501) 11.883 9.647 ( 1.026 -7.104 3.859) 8.149 9.670 ( -0.525 -6.837 -2.759) 7.392 9.790 ( 1.070 -9.845 0.066) 9.903 ======================= Grid point 85 (42/91) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -0.322 13.702 1.644) 13.804 1.718 ( 1.003 16.102 -1.602) 16.213 1.863 ( -2.401 6.853 -4.510) 8.548 1.985 ( 0.663 4.976 -1.920) 5.374 2.073 ( 1.320 4.946 -4.649) 6.915 2.196 ( 3.576 6.498 -6.598) 9.927 2.251 ( 3.396 2.929 0.369) 4.500 2.311 ( 0.028 2.461 -5.842) 6.339 2.374 ( -3.505 2.331 2.411) 4.851 2.454 ( 2.551 1.341 -0.072) 2.883 2.625 ( 1.946 3.597 -3.625) 5.465 2.714 ( 4.157 2.503 -3.550) 6.012 2.865 ( -4.664 -0.227 7.327) 8.688 2.928 ( -4.466 1.933 2.935) 5.683 3.045 ( 1.851 -1.824 3.440) 4.311 3.202 ( -3.354 12.609 7.020) 14.816 3.387 ( -1.145 5.218 6.639) 8.522 3.546 ( 2.029 -8.270 -1.617) 8.667 3.725 ( -0.878 4.219 -4.568) 6.280 3.887 ( -1.573 2.463 3.241) 4.364 3.944 ( 2.439 10.099 -5.263) 11.646 4.035 ( 2.736 12.446 0.060) 12.743 4.096 ( -1.209 8.576 1.774) 8.840 4.199 ( -2.084 15.588 0.620) 15.739 5.041 ( 0.014 -0.451 -0.287) 0.535 5.121 ( -0.171 -0.665 -0.762) 1.026 5.644 ( 0.721 3.248 -0.673) 3.394 5.710 ( -0.174 0.833 1.871) 2.055 5.923 ( -0.263 2.529 1.329) 2.869 6.128 ( 0.803 2.644 -0.108) 2.765 6.171 ( 0.037 -1.328 1.800) 2.237 6.240 ( 1.424 -0.464 0.187) 1.509 6.303 ( -0.625 0.656 0.141) 0.917 6.387 ( -1.262 -0.878 1.572) 2.199 6.544 ( -0.558 0.243 -0.556) 0.824 6.639 ( 2.699 -1.030 0.273) 2.902 6.700 ( -1.683 0.734 -2.224) 2.884 6.774 ( -1.636 2.384 0.673) 2.969 6.862 ( -0.419 1.044 -3.572) 3.745 6.988 ( 0.562 1.621 1.754) 2.454 7.006 ( 1.449 0.878 0.957) 1.945 7.088 ( -2.953 -2.032 4.006) 5.375 7.156 ( -2.161 3.083 0.503) 3.799 7.234 ( 0.238 5.134 0.647) 5.180 7.292 ( 4.095 2.792 -1.206) 5.101 7.446 ( 2.021 -2.772 -2.242) 4.099 7.541 ( -0.266 1.203 -4.689) 4.848 7.749 ( -3.146 0.097 1.278) 3.397 7.814 ( 1.493 -2.999 -2.588) 4.234 7.928 ( -1.363 0.860 3.719) 4.053 8.090 ( 1.359 3.024 0.679) 3.385 8.221 ( -1.061 -3.057 -0.436) 3.265 8.302 ( -0.365 -4.021 1.134) 4.194 8.638 ( 5.792 -1.310 -10.156) 11.765 8.872 ( 1.100 5.337 0.315) 5.458 8.972 ( -4.712 -0.992 -1.635) 5.085 9.082 ( -0.950 -2.952 8.218) 8.784 9.497 ( -1.164 -6.871 -1.105) 7.056 9.542 ( 0.985 -7.914 0.982) 8.035 9.631 ( 0.297 -7.225 0.188) 7.233 ======================= Grid point 86 (43/91) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 3.838 11.592 -0.799) 12.236 1.739 ( 2.579 14.214 0.990) 14.480 1.830 ( 1.117 9.497 -2.684) 9.932 1.961 ( -1.118 5.836 -2.147) 6.318 2.057 ( 0.169 4.792 -6.493) 8.072 2.174 ( -2.956 5.109 -5.175) 7.850 2.232 ( -2.493 4.567 -4.143) 6.651 2.284 ( 1.653 2.052 -5.181) 5.812 2.408 ( 1.998 2.862 6.235) 7.146 2.504 ( 3.141 1.823 0.577) 3.678 2.538 ( -4.147 4.312 -3.575) 6.969 2.731 ( -1.449 3.365 -5.679) 6.758 2.913 ( 1.385 -0.871 9.152) 9.297 2.941 ( 4.252 1.548 2.948) 5.400 3.109 ( 1.521 1.930 2.509) 3.512 3.200 ( -0.579 3.859 4.273) 5.787 3.358 ( -5.164 1.931 8.836) 10.415 3.599 ( 2.513 -3.700 -0.832) 4.549 3.674 ( 0.026 3.975 -5.370) 6.681 3.857 ( -3.640 6.081 1.045) 7.164 3.906 ( -1.458 10.500 -5.012) 11.726 4.056 ( -2.066 7.757 4.710) 9.307 4.143 ( 4.326 9.534 -0.135) 10.471 4.181 ( 0.409 17.057 -0.650) 17.074 5.020 ( -1.781 -0.391 -0.286) 1.845 5.086 ( -2.685 -0.080 -0.555) 2.743 5.665 ( 1.746 3.678 -0.575) 4.112 5.713 ( -0.706 0.765 1.054) 1.482 5.934 ( 0.555 2.592 0.997) 2.832 6.159 ( 1.127 2.190 0.064) 2.464 6.200 ( 2.793 -0.893 2.493) 3.849 6.248 ( -2.235 0.196 0.814) 2.386 6.282 ( 0.353 1.106 -0.614) 1.314 6.411 ( 2.199 -2.742 0.843) 3.615 6.515 ( -2.599 -0.470 -0.582) 2.705 6.642 ( -0.893 2.084 -2.698) 3.524 6.674 ( -0.764 -1.097 1.900) 2.324 6.716 ( -3.579 0.601 -1.456) 3.911 6.862 ( 2.224 1.491 -1.500) 3.069 6.988 ( -1.909 0.818 3.014) 3.660 7.029 ( -0.438 0.265 0.522) 0.731 7.073 ( 0.016 -0.067 1.869) 1.871 7.124 ( -1.077 4.075 0.155) 4.217 7.228 ( -1.606 2.556 -0.106) 3.021 7.375 ( 4.183 3.801 0.764) 5.704 7.471 ( 0.439 -2.684 1.219) 2.981 7.547 ( 5.376 3.098 -7.400) 9.657 7.699 ( -2.280 0.853 0.435) 2.473 7.827 ( 1.814 1.672 -3.007) 3.890 7.948 ( 0.633 -3.638 4.441) 5.775 8.128 ( 2.090 2.391 -0.025) 3.176 8.196 ( -1.218 -2.323 -0.872) 2.764 8.291 ( -1.583 -5.563 1.241) 5.916 8.645 ( 1.089 -2.026 -8.943) 9.234 8.830 ( -4.932 2.117 -0.815) 5.429 8.907 ( -0.960 3.585 1.610) 4.046 9.138 ( 1.223 -2.734 6.608) 7.255 9.476 ( -0.239 -7.965 -1.963) 8.207 9.556 ( 0.056 -7.906 1.051) 7.976 9.638 ( 0.315 -6.416 0.207) 6.427 ======================= Grid point 87 (44/91) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 3.098 10.388 -4.537) 11.752 1.815 ( 1.597 9.805 1.575) 10.059 1.857 ( 2.165 8.723 -0.748) 9.018 1.951 ( 2.121 5.136 0.105) 5.558 2.006 ( -0.778 5.746 -1.659) 6.031 2.081 ( -3.149 8.829 -1.877) 9.560 2.168 ( 0.526 6.455 -7.841) 10.170 2.284 ( 1.283 3.008 -5.250) 6.185 2.406 ( -0.280 2.687 -5.902) 6.491 2.531 ( 1.480 3.001 2.199) 4.004 2.565 ( 0.915 2.703 -1.256) 3.118 2.646 ( -2.420 2.259 -1.061) 3.476 2.974 ( -2.426 -2.729 9.929) 10.580 3.042 ( 4.259 5.639 1.510) 7.226 3.096 ( -3.768 1.896 5.404) 6.855 3.225 ( -1.166 3.043 3.116) 4.509 3.358 ( 1.333 -2.624 3.094) 4.270 3.593 ( -3.628 -2.827 3.060) 5.524 3.689 ( 4.738 3.582 -5.982) 8.430 3.779 ( -1.855 9.421 -4.578) 10.637 3.866 ( -1.077 9.426 -0.045) 9.487 4.038 ( -2.940 3.017 4.224) 5.966 4.190 ( 0.937 16.415 -0.200) 16.443 4.212 ( 2.423 14.036 -0.336) 14.248 4.991 ( -0.764 0.350 -0.031) 0.840 5.040 ( -1.444 0.335 -0.104) 1.486 5.692 ( 1.469 3.820 -0.728) 4.157 5.696 ( -1.259 1.569 -0.347) 2.042 5.947 ( 0.160 2.689 0.391) 2.722 6.159 ( -0.779 1.384 0.359) 1.628 6.196 ( -2.479 1.138 1.046) 2.922 6.277 ( -0.144 -0.065 -0.496) 0.520 6.312 ( 4.932 -1.655 0.653) 5.243 6.444 ( -3.792 -1.486 0.536) 4.108 6.451 ( 1.571 -2.254 -0.546) 2.801 6.600 ( -1.541 2.553 -2.993) 4.225 6.672 ( 1.123 -1.451 -1.058) 2.118 6.696 ( 0.164 1.886 3.904) 4.338 6.891 ( 0.889 -0.121 -0.060) 0.900 6.958 ( -2.270 0.230 1.689) 2.839 7.037 ( -0.555 1.680 -0.455) 1.827 7.073 ( -0.034 1.180 1.686) 2.058 7.121 ( 0.978 4.863 0.008) 4.961 7.194 ( -1.879 1.398 1.120) 2.597 7.415 ( -1.091 4.413 1.157) 4.691 7.480 ( -0.027 -2.802 -0.000) 2.803 7.607 ( 3.628 1.693 -2.980) 4.991 7.694 ( 2.876 3.577 -3.264) 5.632 7.843 ( 1.813 2.668 -3.005) 4.408 8.000 ( 1.428 -2.716 4.658) 5.578 8.150 ( -1.291 4.718 1.589) 5.143 8.165 ( -0.363 -5.360 -2.202) 5.806 8.265 ( -1.145 -9.010 -0.042) 9.083 8.581 ( -1.479 -2.144 -5.834) 6.389 8.769 ( -0.769 4.882 -1.152) 5.075 8.911 ( 0.165 2.054 1.510) 2.555 9.194 ( -0.158 -3.300 6.417) 7.218 9.461 ( 0.370 -8.546 -2.413) 8.888 9.562 ( -0.068 -7.560 1.064) 7.635 9.639 ( -0.298 -5.330 -0.282) 5.346 ======================= Grid point 88 (45/91) ======================= q-point: (-0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.328 12.439 -3.957) 13.057 1.759 ( -5.113 9.180 -1.004) 10.556 1.895 ( 1.892 6.734 0.321) 7.002 1.978 ( 1.040 6.572 0.540) 6.675 2.049 ( 1.758 4.596 -1.749) 5.222 2.093 ( 4.785 7.430 -1.146) 8.911 2.189 ( 6.028 6.471 -2.158) 9.103 2.266 ( -0.185 5.607 -3.213) 6.465 2.382 ( 3.093 3.289 -8.903) 9.983 2.470 ( -1.566 -0.280 -12.431) 12.533 2.555 ( -1.652 1.470 2.237) 3.145 2.670 ( 0.078 3.144 5.900) 6.686 2.956 ( -4.004 -4.650 7.710) 9.854 3.067 ( -3.650 0.036 5.532) 6.628 3.100 ( -1.479 14.232 3.246) 14.672 3.210 ( -0.222 4.834 4.335) 6.497 3.373 ( -4.825 -7.099 1.822) 8.775 3.552 ( 0.962 1.411 -0.009) 1.707 3.695 ( 0.908 1.948 -5.342) 5.759 3.822 ( 7.367 8.162 -3.155) 11.438 3.864 ( 0.311 8.566 1.222) 8.658 4.000 ( -3.455 1.497 2.767) 4.672 4.188 ( -1.389 15.569 0.024) 15.631 4.236 ( 0.386 15.818 0.369) 15.827 4.997 ( 1.107 0.686 0.044) 1.303 5.045 ( 2.076 0.071 0.039) 2.077 5.669 ( -1.003 2.431 -1.134) 2.864 5.704 ( 0.115 3.218 -0.201) 3.226 5.943 ( -0.715 2.682 0.269) 2.789 6.143 ( -0.723 1.278 0.033) 1.469 6.175 ( -0.809 -0.747 0.895) 1.419 6.254 ( -1.387 1.114 -1.625) 2.410 6.322 ( -2.553 -1.384 1.486) 3.262 6.450 ( -0.508 -0.554 -0.460) 0.882 6.476 ( 3.917 -3.490 0.833) 5.312 6.573 ( 0.405 1.756 -2.801) 3.330 6.695 ( 1.865 0.026 0.922) 2.081 6.747 ( 1.993 2.447 2.680) 4.141 6.889 ( -0.416 -1.470 -1.089) 1.876 6.933 ( -1.494 2.407 2.183) 3.577 7.006 ( -1.109 1.973 -0.037) 2.263 7.102 ( 1.100 2.126 1.487) 2.818 7.151 ( -0.094 2.247 0.849) 2.404 7.184 ( 1.620 2.890 0.605) 3.368 7.362 ( -4.051 3.090 -0.883) 5.171 7.468 ( -0.963 -2.423 -0.607) 2.677 7.625 ( -0.583 0.772 -0.297) 1.012 7.739 ( 3.872 4.466 -4.103) 7.195 7.840 ( -0.259 -1.756 -2.887) 3.389 8.030 ( -3.109 2.572 5.361) 6.710 8.080 ( -3.436 1.924 0.972) 4.057 8.197 ( 3.719 -5.473 -2.228) 6.982 8.266 ( 0.924 -7.928 0.180) 7.984 8.549 ( 2.148 -1.540 -5.987) 6.544 8.779 ( 2.276 6.276 -0.706) 6.714 8.936 ( 1.543 0.347 1.548) 2.213 9.195 ( -3.955 -4.600 5.439) 8.148 9.470 ( 1.828 -7.835 -0.914) 8.097 9.561 ( -0.903 -7.120 0.512) 7.195 9.627 ( -0.355 -5.290 -0.606) 5.336 ======================= Grid point 89 (46/91) ======================= q-point: (-0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -4.263 13.003 0.569) 13.696 1.711 ( 0.737 14.855 -2.209) 15.036 1.919 ( 0.359 4.402 -0.240) 4.423 1.988 ( -0.742 6.535 -3.535) 7.467 2.062 ( 2.717 3.768 -1.877) 5.010 2.154 ( 2.684 6.747 -1.738) 7.467 2.225 ( 1.175 6.368 -6.795) 9.387 2.307 ( 4.655 5.986 -0.654) 7.611 2.386 ( 2.373 -2.241 -6.754) 7.501 2.435 ( 1.136 1.741 -2.465) 3.225 2.547 ( 3.618 1.571 -2.262) 4.547 2.689 ( -0.604 3.706 2.603) 4.569 2.955 ( -2.508 -4.832 8.895) 10.429 2.989 ( -7.678 3.082 1.330) 8.380 3.045 ( -4.170 6.911 3.482) 8.790 3.254 ( -6.839 7.604 5.579) 11.650 3.302 ( 4.403 5.456 4.433) 8.295 3.562 ( -0.411 -9.664 -2.959) 10.115 3.722 ( 3.776 7.653 -2.697) 8.949 3.882 ( 0.195 5.314 2.013) 5.685 3.913 ( 2.943 4.291 -2.404) 5.732 3.979 ( 2.344 7.779 -0.874) 8.171 4.143 ( -3.732 12.991 1.490) 13.598 4.231 ( -1.386 16.425 0.567) 16.493 5.024 ( 1.686 0.209 -0.234) 1.715 5.097 ( 2.814 -0.553 -0.308) 2.885 5.648 ( -0.398 2.955 -1.143) 3.193 5.703 ( -0.291 1.951 1.235) 2.327 5.929 ( -1.046 2.556 0.832) 2.885 6.133 ( -0.676 1.543 -0.044) 1.685 6.167 ( -0.602 -1.614 1.128) 2.059 6.227 ( -0.287 0.906 -0.511) 1.079 6.302 ( -0.447 -0.875 0.784) 1.257 6.421 ( -2.299 -0.026 0.821) 2.442 6.542 ( 1.694 -0.076 0.317) 1.725 6.580 ( 2.853 -1.124 -1.979) 3.649 6.722 ( 0.710 0.897 -1.806) 2.138 6.782 ( -0.195 2.657 2.546) 3.685 6.879 ( 0.582 -0.561 -2.187) 2.331 6.949 ( 0.811 2.664 3.597) 4.549 6.997 ( -0.118 1.271 0.289) 1.309 7.106 ( -1.328 -0.766 1.846) 2.400 7.162 ( 0.760 3.886 1.249) 4.152 7.224 ( 1.474 4.718 0.007) 4.943 7.284 ( -2.539 1.349 -1.960) 3.480 7.445 ( -0.400 -2.931 -1.683) 3.404 7.588 ( -2.192 1.627 -1.843) 3.294 7.771 ( 1.653 3.475 -2.809) 4.764 7.815 ( -0.558 -8.020 -1.208) 8.130 7.961 ( -5.242 5.246 4.827) 8.849 8.073 ( 0.355 1.612 0.294) 1.677 8.233 ( 0.628 -3.858 -0.700) 3.970 8.289 ( 0.908 -5.272 1.098) 5.461 8.582 ( 6.102 -1.381 -8.770) 10.773 8.829 ( 2.997 6.355 -0.176) 7.029 8.983 ( 2.336 -0.488 0.842) 2.531 9.126 ( -6.706 -4.873 5.393) 9.889 9.508 ( 1.747 -7.421 1.230) 7.723 9.533 ( -1.698 -6.571 -1.084) 6.873 9.625 ( 0.226 -6.704 -0.062) 6.708 ======================= Grid point 90 (47/91) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -0.031 8.980 -0.464) 8.992 1.953 ( 0.733 2.795 -1.749) 3.377 1.988 ( -0.386 9.846 -2.031) 10.061 2.064 ( 0.128 3.962 -3.931) 5.583 2.153 ( 0.804 3.466 -1.777) 3.977 2.238 ( 1.762 -3.204 -2.825) 4.621 2.304 ( 0.966 2.903 -4.055) 5.080 2.333 ( 0.352 1.752 -2.218) 2.849 2.428 ( 0.998 2.754 1.574) 3.325 2.506 ( 1.151 4.044 1.270) 4.392 2.650 ( 5.109 -0.340 -3.552) 6.232 2.751 ( -1.621 0.745 -2.966) 3.461 2.806 ( -2.139 -3.195 9.326) 10.088 2.920 ( -4.229 -2.864 3.861) 6.403 2.997 ( -0.134 -2.813 0.399) 2.844 3.210 ( -3.460 -12.444 -4.079) 13.545 3.443 ( 0.188 6.329 9.049) 11.045 3.524 ( 2.274 3.891 6.065) 7.556 3.836 ( -1.969 5.214 -5.673) 7.953 3.905 ( -0.903 1.128 1.256) 1.914 4.157 ( 3.255 10.052 -4.977) 11.679 4.229 ( 3.007 6.830 -2.243) 7.792 4.365 ( -2.618 16.170 4.448) 16.974 4.497 ( -1.826 12.607 1.024) 12.780 5.044 ( -0.252 0.670 -0.159) 0.733 5.109 ( 0.003 -0.690 -0.528) 0.869 5.708 ( 0.621 2.771 0.061) 2.840 5.735 ( -0.239 1.720 0.762) 1.896 5.997 ( -0.209 4.854 1.728) 5.157 6.153 ( 0.230 -0.066 1.609) 1.627 6.184 ( 0.535 2.122 0.321) 2.211 6.229 ( 0.435 -0.588 1.326) 1.514 6.310 ( 1.331 0.670 -1.189) 1.906 6.403 ( -2.064 1.242 -0.423) 2.446 6.555 ( -1.300 1.535 -0.078) 2.013 6.604 ( 2.348 -1.737 1.856) 3.461 6.706 ( -0.046 -0.508 -4.143) 4.174 6.814 ( -2.042 1.308 0.298) 2.443 6.854 ( 0.874 -1.372 -1.970) 2.555 6.983 ( -3.358 -6.200 4.844) 8.555 7.023 ( 0.184 1.294 0.830) 1.549 7.042 ( 0.108 1.857 2.885) 3.433 7.209 ( -2.376 1.532 0.227) 2.836 7.281 ( -0.109 -0.126 -0.264) 0.312 7.353 ( 1.905 2.880 -2.157) 4.071 7.413 ( 4.459 0.378 -0.804) 4.547 7.568 ( 1.512 0.819 -4.466) 4.785 7.624 ( -0.234 -8.201 1.258) 8.300 7.800 ( -1.141 0.356 -1.081) 1.612 7.930 ( -1.804 -2.398 0.915) 3.137 8.097 ( 0.775 -0.083 -2.615) 2.729 8.199 ( 0.233 -1.234 -1.174) 1.720 8.321 ( -0.407 5.155 2.335) 5.674 8.596 ( 3.528 -3.012 -5.193) 6.963 8.935 ( -2.464 0.752 -0.768) 2.688 8.997 ( -0.733 3.016 1.591) 3.488 9.042 ( 0.351 -0.272 4.627) 4.648 9.365 ( -0.648 -7.017 -1.651) 7.238 9.421 ( -0.052 -3.570 1.192) 3.764 9.513 ( 0.350 -4.982 0.026) 4.995 ======================= Grid point 91 (48/91) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 2.169 8.000 -1.803) 8.483 1.932 ( -0.952 3.340 -0.549) 3.516 1.994 ( 1.606 8.183 -2.234) 8.633 2.044 ( 0.509 4.599 -3.618) 5.873 2.140 ( -1.027 3.590 -1.802) 4.146 2.244 ( 1.098 -1.923 -3.415) 4.070 2.269 ( -1.104 3.119 -4.129) 5.290 2.335 ( 0.832 3.385 -1.554) 3.817 2.478 ( 1.251 4.132 1.141) 4.465 2.524 ( 1.016 1.109 3.403) 3.721 2.618 ( -2.057 3.687 -3.993) 5.811 2.743 ( -0.486 -1.894 -6.208) 6.508 2.870 ( 0.126 -3.810 10.073) 10.770 2.890 ( 0.611 -4.672 6.195) 7.783 3.045 ( 3.796 -5.554 -0.494) 6.745 3.120 ( -3.841 -8.636 -0.225) 9.454 3.494 ( -1.227 8.106 7.967) 11.432 3.568 ( -0.097 2.325 1.896) 3.002 3.784 ( -0.048 5.108 -5.147) 7.251 3.895 ( -0.957 -0.016 2.540) 2.714 4.125 ( -1.993 10.142 -5.530) 11.722 4.196 ( -3.684 6.469 -0.700) 7.477 4.424 ( 3.740 15.240 3.449) 16.067 4.499 ( 1.423 13.404 0.267) 13.482 5.027 ( -1.128 1.063 -0.170) 1.559 5.086 ( -1.878 -0.006 -0.373) 1.915 5.725 ( 0.796 1.978 0.127) 2.136 5.744 ( 0.798 2.360 0.274) 2.506 6.008 ( 0.153 4.776 1.551) 5.024 6.176 ( 0.667 -0.194 1.857) 1.983 6.204 ( 1.871 0.554 -1.047) 2.215 6.250 ( 0.035 0.507 2.832) 2.877 6.323 ( -0.188 1.708 -0.393) 1.763 6.367 ( 0.032 -1.401 -1.542) 2.083 6.508 ( -3.785 0.792 0.767) 3.942 6.646 ( 1.119 -1.121 -0.862) 1.803 6.677 ( -0.077 1.431 -1.241) 1.896 6.748 ( -3.691 1.778 -1.684) 4.430 6.860 ( 0.243 -2.019 -0.740) 2.164 6.945 ( -2.878 -4.379 4.631) 6.993 7.043 ( 1.045 1.174 0.958) 1.841 7.077 ( 1.217 0.745 1.321) 1.945 7.182 ( -0.750 1.406 0.357) 1.633 7.251 ( -1.919 0.018 -0.195) 1.929 7.387 ( 1.739 -1.190 -0.988) 2.327 7.493 ( 2.790 3.911 2.125) 5.253 7.595 ( 2.783 -0.099 -3.382) 4.381 7.654 ( 4.383 -2.900 -1.979) 5.616 7.796 ( 2.459 -1.926 -1.850) 3.630 7.921 ( 0.209 -2.578 0.869) 2.729 8.083 ( -0.454 -1.480 -3.088) 3.454 8.181 ( -1.210 -2.375 -2.066) 3.373 8.311 ( -2.248 5.820 3.105) 6.969 8.588 ( -1.331 -3.525 -3.612) 5.219 8.879 ( -2.116 2.879 -0.297) 3.585 8.992 ( -1.475 4.832 1.122) 5.175 9.083 ( 1.225 -3.155 4.285) 5.460 9.331 ( -1.480 -6.924 -1.572) 7.253 9.438 ( 0.892 -3.693 0.786) 3.879 9.530 ( 1.194 -4.749 0.037) 4.897 ======================= Grid point 92 (49/91) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 2.699 6.660 -3.504) 7.994 1.911 ( -0.995 1.696 -1.606) 2.539 2.000 ( 0.513 4.958 -1.970) 5.360 2.062 ( 2.507 6.810 0.265) 7.261 2.110 ( -0.180 5.259 -1.092) 5.375 2.235 ( 1.850 2.037 -6.259) 6.837 2.256 ( 0.885 4.071 -0.300) 4.177 2.326 ( -1.346 3.406 0.012) 3.662 2.452 ( 0.130 1.766 -5.922) 6.181 2.561 ( -1.679 -0.206 -5.749) 5.993 2.602 ( 0.941 2.201 1.045) 2.612 2.671 ( -1.219 1.041 0.894) 1.836 2.887 ( -4.319 -5.258 8.725) 11.064 2.977 ( 1.072 -7.203 7.184) 10.230 3.086 ( 2.075 -4.594 1.106) 5.160 3.128 ( 3.173 -8.475 2.591) 9.413 3.457 ( -5.094 8.037 -0.025) 9.515 3.573 ( -1.518 2.072 1.085) 2.788 3.776 ( 1.838 5.052 -0.271) 5.383 3.915 ( 1.677 2.200 2.261) 3.573 4.058 ( -0.730 9.926 -5.578) 11.409 4.120 ( -4.031 5.830 -0.557) 7.110 4.492 ( 1.164 14.539 2.409) 14.783 4.534 ( 1.707 13.768 0.394) 13.879 5.013 ( -0.149 1.756 0.103) 1.766 5.052 ( -1.217 0.786 -0.057) 1.450 5.729 ( -0.281 1.944 -0.132) 1.968 5.762 ( 0.856 2.588 -0.454) 2.764 6.016 ( -0.262 4.321 0.940) 4.430 6.184 ( -0.535 1.107 0.802) 1.468 6.219 ( -0.962 -0.302 -1.102) 1.494 6.274 ( 1.400 0.376 1.541) 2.116 6.305 ( -0.018 0.957 -0.661) 1.163 6.379 ( -0.529 -3.388 0.725) 3.505 6.445 ( -1.592 1.071 0.217) 1.931 6.651 ( 0.883 -0.358 -1.044) 1.413 6.661 ( -0.987 3.345 -3.419) 4.884 6.719 ( 0.972 -0.234 1.732) 2.000 6.849 ( -0.819 -3.281 1.260) 3.609 6.944 ( -0.580 -2.099 3.136) 3.818 7.063 ( -0.244 1.131 -0.108) 1.162 7.088 ( 0.615 0.897 0.866) 1.390 7.187 ( 0.691 1.248 1.384) 1.988 7.221 ( -1.821 1.812 1.251) 2.857 7.402 ( 0.861 -3.249 -1.460) 3.665 7.515 ( -1.465 4.617 0.446) 4.864 7.592 ( -1.464 -3.238 0.865) 3.657 7.753 ( 7.517 3.170 -6.293) 10.303 7.857 ( 2.807 -1.810 -1.202) 3.549 7.953 ( 3.168 -2.932 -0.023) 4.317 8.052 ( 0.700 -2.961 -3.393) 4.557 8.130 ( -2.931 -4.621 -1.675) 5.722 8.281 ( -3.004 6.261 3.234) 7.661 8.531 ( -2.127 -2.955 -1.506) 3.940 8.865 ( 0.892 4.832 -0.769) 4.973 8.966 ( -1.844 3.540 1.664) 4.325 9.127 ( 0.131 -3.704 3.582) 5.154 9.301 ( -0.257 -7.673 -1.441) 7.811 9.458 ( 0.502 -3.043 0.948) 3.226 9.546 ( 0.365 -4.215 -0.260) 4.239 ======================= Grid point 93 (50/91) ======================= q-point: (-0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.918 4.835 -1.892) 5.273 1.898 ( 2.277 5.342 -3.057) 6.562 1.998 ( 0.752 4.471 -1.760) 4.864 2.097 ( 1.515 6.187 -0.190) 6.373 2.132 ( 1.134 4.145 -0.324) 4.309 2.243 ( 1.193 1.229 -2.178) 2.771 2.270 ( 0.978 6.785 -0.491) 6.873 2.330 ( 3.065 0.701 -0.360) 3.164 2.423 ( 0.235 1.261 -7.046) 7.162 2.449 ( -1.962 -0.811 -9.684) 9.914 2.591 ( -1.009 2.334 -0.843) 2.679 2.712 ( 0.677 1.698 5.943) 6.218 2.862 ( -2.945 -3.682 6.167) 7.763 2.993 ( -2.867 -5.687 6.194) 8.884 3.154 ( 1.366 -8.317 2.240) 8.721 3.203 ( 1.424 -9.287 4.403) 10.376 3.355 ( -3.551 9.225 0.699) 9.909 3.513 ( -3.332 0.918 -2.702) 4.387 3.834 ( 2.149 7.105 3.980) 8.422 3.995 ( 5.576 5.011 0.570) 7.519 4.024 ( -1.942 6.007 -5.193) 8.175 4.057 ( 1.069 8.286 -2.340) 8.676 4.493 ( -2.489 14.552 2.041) 14.903 4.555 ( -0.190 13.479 0.968) 13.515 5.020 ( 0.596 1.623 0.265) 1.749 5.054 ( 1.533 0.666 -0.026) 1.672 5.718 ( -0.575 2.497 -0.460) 2.603 5.762 ( -0.607 2.292 -0.289) 2.389 6.009 ( -0.993 3.896 0.633) 4.070 6.174 ( -1.337 0.673 0.602) 1.613 6.184 ( -0.960 1.927 -0.639) 2.246 6.277 ( -1.577 1.070 -1.454) 2.397 6.295 ( -0.755 -1.250 0.931) 1.732 6.401 ( 2.608 -3.033 1.802) 4.387 6.450 ( 0.984 0.940 0.148) 1.369 6.625 ( -0.246 3.167 -3.190) 4.502 6.686 ( 2.890 -1.201 -1.069) 3.307 6.753 ( 1.406 -1.950 2.078) 3.178 6.852 ( 0.129 -1.365 0.632) 1.510 6.954 ( -0.691 -1.518 4.172) 4.493 7.040 ( -1.099 1.995 -0.129) 2.281 7.111 ( -0.516 0.215 1.092) 1.226 7.194 ( -0.655 1.567 1.436) 2.224 7.229 ( 2.038 1.756 1.942) 3.317 7.394 ( -0.691 -2.131 -2.952) 3.706 7.458 ( -3.570 4.251 -1.316) 5.705 7.572 ( -0.810 -5.297 0.287) 5.367 7.799 ( -5.924 -2.817 -1.893) 6.827 7.820 ( 2.687 3.430 -3.963) 5.890 8.030 ( 4.809 -0.177 -1.744) 5.119 8.054 ( -4.450 -5.055 0.000) 6.735 8.115 ( 6.267 -2.846 -2.372) 7.280 8.264 ( -0.501 5.590 2.889) 6.312 8.509 ( 0.964 -2.604 -1.786) 3.302 8.896 ( 2.665 5.326 -0.988) 6.037 8.959 ( -0.076 2.190 2.268) 3.153 9.114 ( -3.578 -3.784 2.782) 5.905 9.315 ( 2.192 -7.763 -0.681) 8.095 9.463 ( -0.821 -2.911 1.154) 3.238 9.538 ( -0.779 -3.932 -0.545) 4.045 ======================= Grid point 94 (51/91) ======================= q-point: (-0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -1.400 7.720 -0.777) 7.884 1.928 ( 2.584 5.543 -2.163) 6.487 2.004 ( 0.673 5.091 -1.596) 5.377 2.102 ( -1.556 5.481 -2.370) 6.171 2.136 ( 1.783 4.291 -1.573) 4.906 2.233 ( -0.288 -1.945 -1.244) 2.327 2.295 ( 2.375 2.864 -4.403) 5.764 2.353 ( 0.255 0.326 -3.256) 3.282 2.399 ( 2.379 3.532 -3.963) 5.818 2.454 ( 3.548 0.621 1.322) 3.837 2.582 ( 2.277 2.451 -2.778) 4.349 2.747 ( -0.218 2.055 3.822) 4.345 2.849 ( -3.002 -3.477 5.093) 6.859 2.962 ( -4.267 -3.947 4.720) 7.487 3.072 ( -6.963 -4.301 0.007) 8.184 3.258 ( 1.800 -12.880 -2.285) 13.204 3.380 ( 1.138 5.817 6.739) 8.975 3.462 ( -1.000 4.407 3.632) 5.798 3.887 ( 1.002 5.780 1.620) 6.086 3.931 ( -3.639 3.361 -3.847) 6.272 4.085 ( 5.782 9.460 -3.339) 11.579 4.139 ( 6.764 7.803 -1.462) 10.430 4.434 ( -5.142 14.837 2.390) 15.884 4.536 ( -2.465 12.748 1.260) 13.045 5.037 ( 0.882 0.985 0.064) 1.324 5.091 ( 2.022 -0.259 -0.318) 2.063 5.706 ( -0.318 2.766 -0.276) 2.798 5.744 ( -1.053 2.002 0.396) 2.296 5.996 ( -0.785 4.235 1.251) 4.485 6.151 ( -1.046 0.206 1.109) 1.539 6.180 ( 0.065 2.266 0.096) 2.269 6.234 ( -1.726 -0.246 0.128) 1.748 6.297 ( 0.824 0.784 -1.119) 1.595 6.429 ( -0.714 0.256 0.999) 1.255 6.506 ( 4.223 -1.734 1.137) 4.705 6.602 ( -0.714 2.680 -1.758) 3.284 6.715 ( 1.804 -2.281 -3.980) 4.929 6.802 ( 1.528 -0.526 3.298) 3.672 6.854 ( 0.169 -0.850 -0.880) 1.235 6.977 ( 0.005 -2.492 4.648) 5.274 7.028 ( -0.760 1.684 0.852) 2.034 7.067 ( -3.766 0.064 1.418) 4.024 7.222 ( 1.327 1.850 2.232) 3.189 7.274 ( 0.470 0.357 0.766) 0.967 7.343 ( 0.133 3.549 -4.535) 5.760 7.401 ( -1.656 -0.304 -1.748) 2.427 7.569 ( 0.433 -4.795 -0.591) 4.850 7.672 ( -4.944 -4.515 -1.891) 6.957 7.826 ( -0.120 2.199 -1.966) 2.952 7.976 ( -4.044 -3.108 1.522) 5.323 8.085 ( 2.491 0.455 -2.495) 3.554 8.187 ( 2.529 -1.844 -1.848) 3.635 8.294 ( 1.243 4.868 2.777) 5.741 8.544 ( 4.516 -2.577 -4.071) 6.603 8.935 ( 2.161 3.326 -1.364) 4.194 8.994 ( 1.782 2.667 2.630) 4.148 9.049 ( -5.024 -2.980 3.279) 6.699 9.355 ( 2.121 -7.672 -0.587) 7.981 9.440 ( -2.119 -2.911 0.862) 3.703 9.519 ( -0.785 -4.415 -0.259) 4.492 ======================= Grid point 95 (52/91) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.430 2.865 -2.012) 3.527 1.967 ( 0.073 -0.393 -1.495) 1.547 2.079 ( 0.304 2.685 -0.949) 2.864 2.141 ( 0.344 -2.467 -2.039) 3.219 2.208 ( -0.085 5.573 -1.612) 5.802 2.245 ( 0.803 4.079 -1.605) 4.456 2.308 ( 0.046 -2.231 -2.698) 3.501 2.322 ( 1.920 -2.146 -1.352) 3.181 2.513 ( 3.426 4.768 0.287) 5.879 2.576 ( 3.907 0.120 1.529) 4.197 2.649 ( -0.808 3.036 0.343) 3.161 2.744 ( -3.357 -2.416 2.604) 4.888 2.767 ( -2.022 0.048 -2.159) 2.958 2.836 ( -2.692 -4.939 2.024) 5.978 2.956 ( -0.872 -0.912 0.350) 1.310 2.998 ( -0.856 -6.604 -1.138) 6.756 3.543 ( 0.982 3.352 8.156) 8.873 3.571 ( 1.241 0.536 7.364) 7.487 3.912 ( -2.080 2.405 -3.868) 5.007 3.928 ( -1.852 0.583 -1.727) 2.599 4.303 ( 2.611 4.411 -4.342) 6.718 4.324 ( 2.493 2.229 -3.677) 4.971 4.610 ( -1.704 7.878 3.453) 8.769 4.656 ( -1.632 3.183 2.094) 4.145 5.065 ( -0.114 1.338 -0.077) 1.345 5.091 ( 0.041 -1.208 -0.253) 1.235 5.748 ( 0.267 1.483 -0.056) 1.508 5.761 ( 0.108 0.365 0.111) 0.396 6.099 ( 0.217 5.086 1.257) 5.244 6.164 ( 0.222 0.256 0.672) 0.752 6.185 ( -0.170 -0.992 1.155) 1.532 6.211 ( -0.014 -1.759 2.650) 3.180 6.348 ( 0.450 2.946 -2.000) 3.589 6.400 ( -1.220 -1.716 -1.415) 2.537 6.584 ( 3.512 2.142 -0.524) 4.147 6.629 ( -2.173 1.182 0.309) 2.493 6.685 ( 1.520 1.273 -0.717) 2.108 6.796 ( -2.666 -5.354 2.499) 6.483 6.838 ( 0.096 -0.034 -0.116) 0.154 6.854 ( -1.257 -3.221 0.302) 3.470 7.057 ( -0.245 1.820 0.930) 2.058 7.074 ( -0.450 0.534 2.002) 2.121 7.226 ( -2.645 0.927 0.454) 2.840 7.256 ( -1.674 -1.886 0.502) 2.571 7.392 ( 1.681 2.196 -1.433) 3.115 7.442 ( 4.227 -1.001 -0.515) 4.374 7.512 ( 2.034 -0.179 0.205) 2.052 7.560 ( 2.067 -2.283 -2.877) 4.214 7.815 ( -2.378 1.477 -0.651) 2.874 7.863 ( -1.603 -3.330 -0.894) 3.802 8.123 ( 0.588 2.033 -3.231) 3.863 8.164 ( 0.589 -2.031 -2.929) 3.612 8.430 ( 0.242 5.320 1.631) 5.570 8.524 ( 1.419 -4.313 -0.844) 4.619 8.953 ( -1.458 1.297 0.950) 2.170 8.985 ( -0.100 -1.868 2.477) 3.104 9.120 ( -0.128 5.544 0.365) 5.557 9.234 ( -0.233 -6.229 -0.564) 6.258 9.395 ( -0.250 0.566 0.369) 0.721 9.433 ( 0.082 -3.168 0.097) 3.171 ======================= Grid point 96 (53/91) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.645 1.906 -2.488) 3.200 1.950 ( -0.517 -0.091 -2.011) 2.079 2.078 ( 0.282 3.342 -0.871) 3.465 2.140 ( 0.858 -1.179 -1.811) 2.325 2.201 ( 0.234 4.726 -1.143) 4.868 2.249 ( 0.885 2.654 -1.260) 3.068 2.284 ( -0.459 0.206 -3.385) 3.422 2.352 ( 2.365 -2.708 -2.427) 4.338 2.558 ( -1.786 4.298 -2.348) 5.213 2.600 ( 1.539 6.478 4.912) 8.274 2.647 ( -1.357 -3.452 -3.248) 4.930 2.715 ( -0.083 2.161 -1.267) 2.507 2.745 ( 0.537 -6.824 5.454) 8.752 2.807 ( -2.800 -4.845 3.873) 6.806 2.965 ( 1.294 -1.762 0.265) 2.202 2.985 ( -0.202 -3.944 0.662) 4.004 3.606 ( 0.410 3.152 6.354) 7.105 3.620 ( -0.198 1.603 3.239) 3.619 3.860 ( -1.344 2.564 -2.110) 3.582 3.889 ( -1.398 -0.661 0.892) 1.785 4.270 ( -2.011 4.316 -4.725) 6.709 4.289 ( -2.560 2.314 -3.747) 5.094 4.647 ( 2.373 6.701 2.874) 7.667 4.673 ( 1.626 4.008 1.639) 4.626 5.056 ( -0.540 1.616 -0.114) 1.707 5.080 ( -0.857 -0.719 -0.190) 1.134 5.757 ( 0.657 1.429 -0.015) 1.573 5.772 ( 0.857 0.202 0.123) 0.889 6.109 ( -0.067 5.009 1.180) 5.147 6.173 ( 0.571 -0.961 -0.346) 1.170 6.199 ( 0.573 0.219 1.403) 1.531 6.238 ( 0.605 -2.545 3.594) 4.445 6.339 ( 0.017 1.048 -1.785) 2.070 6.357 ( -1.938 -0.433 -1.534) 2.510 6.569 ( -3.678 4.700 0.142) 5.969 6.632 ( 1.578 -1.009 -1.995) 2.737 6.703 ( 0.244 1.432 0.490) 1.533 6.754 ( -2.557 -2.844 1.474) 4.099 6.810 ( -1.718 -0.065 -0.431) 1.773 6.858 ( 0.474 -3.892 1.457) 4.183 7.070 ( 0.783 1.473 0.495) 1.740 7.089 ( 0.526 -0.070 0.873) 1.021 7.197 ( -0.680 0.921 0.463) 1.235 7.228 ( -0.929 -1.980 0.747) 2.312 7.404 ( -0.308 3.107 0.218) 3.130 7.491 ( -0.035 -5.066 1.550) 5.298 7.591 ( 5.484 3.464 0.456) 6.502 7.644 ( 8.608 -1.199 -3.460) 9.355 7.784 ( 0.546 1.099 -2.377) 2.675 7.840 ( 0.309 -4.229 -1.881) 4.638 8.098 ( -1.137 1.811 -3.330) 3.958 8.136 ( -1.641 -2.108 -2.975) 3.998 8.422 ( -2.201 5.144 2.173) 6.002 8.512 ( -2.180 -4.202 0.161) 4.736 8.941 ( -0.168 3.416 0.753) 3.502 9.012 ( 1.175 -3.671 2.148) 4.413 9.094 ( -2.445 5.269 0.362) 5.820 9.204 ( -2.158 -6.020 -0.617) 6.425 9.412 ( 1.453 0.677 0.392) 1.650 9.452 ( 1.509 -3.175 0.148) 3.519 ======================= Grid point 97 (54/91) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.347 0.763 -2.719) 2.845 1.937 ( 0.923 0.520 -2.657) 2.860 2.079 ( 0.314 3.979 -0.796) 4.069 2.148 ( 0.833 -1.707 -0.746) 2.041 2.204 ( 0.651 4.664 -0.491) 4.734 2.259 ( 0.374 1.902 -3.987) 4.433 2.273 ( 2.864 1.703 -1.434) 3.627 2.375 ( 2.095 -3.255 -3.510) 5.225 2.485 ( -3.373 3.719 -3.048) 5.873 2.545 ( -4.271 -1.665 -4.904) 6.713 2.661 ( -1.302 4.174 2.329) 4.954 2.721 ( 1.058 3.559 3.494) 5.098 2.777 ( -1.492 -5.180 5.210) 7.497 2.841 ( 3.085 -6.316 6.670) 9.691 2.987 ( 0.400 -2.899 0.908) 3.064 3.003 ( 0.900 -3.983 2.380) 4.727 3.578 ( -4.059 3.981 -1.705) 5.936 3.611 ( -2.757 0.572 -1.106) 3.025 3.866 ( 2.007 3.829 4.200) 6.027 3.917 ( 2.324 -1.375 5.253) 5.907 4.203 ( -1.306 4.194 -5.454) 7.004 4.215 ( -2.227 2.746 -4.432) 5.670 4.698 ( 0.952 5.814 2.162) 6.276 4.713 ( 1.153 4.246 1.594) 4.680 5.050 ( 0.048 1.642 -0.130) 1.648 5.064 ( -0.590 0.206 -0.072) 0.629 5.766 ( 0.224 1.691 -0.163) 1.714 5.786 ( 0.443 -0.095 -0.104) 0.465 6.107 ( -0.735 4.504 0.323) 4.575 6.178 ( 0.282 -2.753 -1.050) 2.960 6.212 ( -0.333 1.792 1.373) 2.282 6.265 ( -0.662 -2.815 3.010) 4.174 6.321 ( -0.319 1.051 -1.159) 1.596 6.339 ( 0.619 -0.724 -0.153) 0.965 6.512 ( -1.760 5.533 -0.594) 5.836 6.623 ( -0.239 -4.324 -2.265) 4.887 6.705 ( -0.481 0.711 1.947) 2.128 6.718 ( -1.561 1.204 -0.784) 2.122 6.810 ( 1.203 0.695 0.945) 1.680 6.876 ( 0.416 -4.424 0.924) 4.539 7.085 ( 0.265 1.052 0.485) 1.188 7.099 ( 0.408 -0.138 0.723) 0.841 7.204 ( 0.597 1.057 1.012) 1.580 7.229 ( -0.160 -1.151 1.480) 1.881 7.393 ( -0.660 2.813 -0.102) 2.892 7.482 ( -1.553 -5.395 1.324) 5.768 7.635 ( -1.506 5.904 0.310) 6.101 7.760 ( 0.829 -6.454 -0.385) 6.518 7.823 ( 7.549 3.516 -5.517) 9.989 7.891 ( 8.132 -3.289 -4.209) 9.730 8.045 ( -1.848 1.017 -2.878) 3.568 8.072 ( -2.947 -1.774 -2.004) 3.981 8.388 ( -2.843 4.667 2.766) 6.125 8.467 ( -2.614 -3.600 1.352) 4.650 8.956 ( 1.311 4.465 0.210) 4.658 9.031 ( -1.544 -0.677 1.604) 2.327 9.066 ( 0.074 1.318 0.742) 1.515 9.164 ( -1.226 -6.291 -0.475) 6.427 9.438 ( 0.759 0.727 0.607) 1.214 9.475 ( 0.670 -2.900 0.129) 2.980 ======================= Grid point 98 (55/91) ======================= q-point: (-0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 1.483 1.542 -2.582) 3.353 1.946 ( 1.761 0.159 -2.466) 3.035 2.079 ( 0.235 3.839 -0.669) 3.904 2.156 ( 0.156 -3.308 -0.045) 3.312 2.216 ( 1.119 4.095 -0.931) 4.346 2.244 ( 0.472 3.176 -3.559) 4.794 2.322 ( 1.776 0.078 -1.234) 2.164 2.377 ( 0.998 -1.431 -4.967) 5.265 2.417 ( -1.317 2.270 -3.582) 4.440 2.454 ( -1.193 -0.245 -1.747) 2.130 2.648 ( -0.809 3.947 1.553) 4.318 2.733 ( -0.487 -2.344 3.634) 4.351 2.830 ( 1.206 2.181 4.434) 5.086 2.906 ( -0.811 -2.733 5.053) 5.802 2.996 ( -0.291 -5.260 1.090) 5.380 3.032 ( -0.016 -6.872 3.133) 7.553 3.490 ( -3.436 4.471 -0.280) 5.646 3.533 ( -3.290 -0.167 -1.216) 3.512 3.947 ( 1.875 4.356 5.058) 6.933 4.002 ( 1.417 -1.326 4.637) 5.027 4.163 ( 2.139 4.588 -6.466) 8.212 4.178 ( 2.625 3.094 -5.336) 6.703 4.704 ( -1.832 6.274 2.101) 6.865 4.727 ( -0.947 3.885 1.768) 4.372 5.052 ( 0.196 1.356 -0.084) 1.373 5.064 ( 0.698 0.136 -0.115) 0.720 5.762 ( -0.436 1.879 -0.305) 1.953 5.784 ( -0.577 -0.109 -0.191) 0.617 6.091 ( -0.751 4.372 -0.010) 4.436 6.170 ( -0.312 -3.056 -1.020) 3.237 6.203 ( -1.386 1.933 1.535) 2.831 6.247 ( -2.254 -2.205 1.494) 3.489 6.328 ( 1.172 2.439 -0.824) 2.829 6.364 ( 1.764 -1.334 1.040) 2.444 6.504 ( 0.940 4.698 -0.649) 4.835 6.615 ( 1.098 -5.765 -2.406) 6.343 6.693 ( -0.385 3.451 -0.700) 3.543 6.730 ( 1.382 -0.374 2.727) 3.080 6.836 ( 0.894 -0.038 0.274) 0.936 6.881 ( -0.330 -4.454 0.617) 4.509 7.084 ( -0.736 2.063 0.910) 2.372 7.112 ( -0.491 -0.606 1.567) 1.750 7.219 ( 0.303 1.235 1.310) 1.826 7.241 ( 0.582 -0.673 1.879) 2.079 7.382 ( -0.362 2.042 -0.849) 2.241 7.461 ( -1.302 -5.338 0.739) 5.544 7.568 ( -4.261 6.310 -2.317) 7.959 7.698 ( -4.925 -6.609 -2.319) 8.562 7.890 ( 1.081 3.627 -2.910) 4.774 7.964 ( -1.882 -4.054 -1.568) 4.737 8.046 ( 5.855 1.511 -3.162) 6.824 8.077 ( 5.478 -1.567 -2.701) 6.305 8.369 ( -0.711 4.714 2.736) 5.496 8.449 ( -0.048 -3.537 1.217) 3.740 8.973 ( -0.237 2.888 0.225) 2.906 9.016 ( -0.703 0.459 1.544) 1.758 9.067 ( -0.218 1.889 0.687) 2.021 9.173 ( 2.101 -6.697 -0.184) 7.022 9.442 ( -0.901 0.492 0.725) 1.257 9.474 ( -0.910 -2.610 0.052) 2.765 ======================= Grid point 99 (56/91) ======================= q-point: (-0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 1.173 2.462 -2.195) 3.501 1.964 ( 1.362 -0.077 -1.748) 2.217 2.079 ( 0.276 2.989 -0.825) 3.113 2.151 ( -0.231 -4.419 -1.074) 4.553 2.221 ( -0.130 5.566 -1.162) 5.687 2.239 ( 1.271 5.641 -2.788) 6.420 2.310 ( 0.051 -2.007 -1.445) 2.474 2.331 ( -0.883 -3.248 -4.281) 5.446 2.451 ( 4.039 2.987 -1.411) 5.218 2.485 ( 3.884 0.401 0.801) 3.986 2.651 ( -0.097 5.089 1.256) 5.242 2.752 ( -0.393 -2.777 3.395) 4.404 2.840 ( -2.183 1.793 0.180) 2.831 2.877 ( -3.847 -2.840 2.278) 5.297 2.981 ( -1.844 -3.285 1.355) 4.003 3.027 ( -1.292 -8.374 -0.694) 8.502 3.481 ( 0.462 3.583 5.340) 6.447 3.512 ( -0.006 0.438 4.742) 4.762 3.964 ( -1.268 2.572 0.021) 2.868 3.981 ( -2.990 0.998 -1.895) 3.678 4.231 ( 6.745 4.543 -3.552) 8.874 4.249 ( 6.644 2.687 -3.042) 7.785 4.659 ( -4.267 7.219 2.410) 8.725 4.697 ( -3.275 3.341 1.842) 5.027 5.060 ( 0.535 1.266 -0.005) 1.374 5.081 ( 1.013 -0.823 -0.213) 1.323 5.751 ( -0.442 1.736 -0.245) 1.809 5.768 ( -0.779 0.159 -0.094) 0.801 6.088 ( 0.126 4.820 0.771) 4.883 6.161 ( -0.223 -1.015 0.193) 1.057 6.189 ( -1.063 -0.090 1.486) 1.829 6.215 ( -1.823 -1.452 1.339) 2.687 6.344 ( 1.213 3.374 -1.491) 3.883 6.404 ( 1.341 -2.505 0.279) 2.855 6.529 ( 2.291 3.987 -0.409) 4.617 6.631 ( 1.993 -5.530 -2.271) 6.301 6.683 ( -0.724 5.371 0.161) 5.422 6.782 ( 1.684 -2.742 3.230) 4.559 6.842 ( -0.083 -0.318 -0.728) 0.798 6.873 ( -0.891 -4.571 0.495) 4.683 7.069 ( -1.374 2.087 1.002) 2.693 7.090 ( -2.450 0.408 2.033) 3.210 7.245 ( 0.892 0.820 2.335) 2.630 7.262 ( -0.283 -1.053 1.367) 1.749 7.372 ( 0.917 1.782 -1.694) 2.624 7.433 ( -1.921 -2.879 -1.485) 3.766 7.497 ( -0.491 3.314 -1.785) 3.796 7.595 ( -3.455 -4.705 -2.782) 6.467 7.864 ( -2.045 1.837 -0.758) 2.852 7.907 ( -2.883 -2.894 -0.100) 4.087 8.113 ( 3.081 1.826 -3.339) 4.897 8.150 ( 3.422 -1.894 -3.324) 5.133 8.397 ( 1.598 4.923 2.093) 5.583 8.481 ( 2.841 -3.783 -0.187) 4.735 8.966 ( -0.495 1.135 0.634) 1.391 8.995 ( -2.409 -1.938 2.261) 3.830 9.095 ( 2.125 5.798 0.323) 6.183 9.215 ( 2.203 -6.581 -0.259) 6.944 9.417 ( -1.954 0.388 0.520) 2.059 9.449 ( -1.518 -2.737 0.059) 3.130 ======================= Grid point 130 (57/91) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 4.254 0.000 17.302) 17.818 0.896 ( -1.226 0.000 20.209) 20.246 1.203 ( 1.348 0.000 -10.582) 10.667 1.204 ( -4.198 0.000 -15.871) 16.417 1.412 ( -1.228 0.000 -5.471) 5.607 1.472 ( -3.437 0.000 -4.354) 5.547 1.724 ( -2.390 0.000 40.749) 40.819 1.986 ( -0.631 0.000 0.473) 0.788 1.996 ( 0.946 0.000 3.731) 3.849 2.059 ( 0.211 0.000 -2.141) 2.152 2.134 ( -0.878 0.000 -1.635) 1.856 2.331 ( 2.028 0.000 -2.512) 3.229 2.353 ( 0.541 0.000 -1.607) 1.696 2.482 ( 13.313 0.000 -1.258) 13.372 2.571 ( 2.609 0.000 -15.683) 15.899 2.600 ( -0.381 0.000 0.754) 0.845 2.618 ( -5.135 0.000 -18.167) 18.879 2.905 ( -5.669 0.000 -2.841) 6.341 3.471 ( -3.306 0.000 2.053) 3.891 3.699 ( 2.964 0.000 1.856) 3.498 4.043 ( 4.229 0.000 9.335) 10.248 4.130 ( 2.903 0.000 5.950) 6.621 4.233 ( -5.909 0.000 -7.176) 9.296 4.372 ( -0.715 0.000 0.787) 1.064 5.182 ( 0.913 0.000 2.478) 2.641 5.245 ( -2.459 0.000 -3.126) 3.977 5.765 ( 0.444 0.000 0.855) 0.964 5.789 ( -0.778 0.000 -0.874) 1.170 5.799 ( 0.216 0.000 -0.521) 0.564 5.985 ( -1.469 0.000 -1.843) 2.357 6.029 ( 2.134 0.000 1.531) 2.626 6.170 ( -3.602 0.000 -0.644) 3.659 6.288 ( 2.107 0.000 4.247) 4.741 6.321 ( 0.914 0.000 -0.540) 1.061 6.362 ( -0.878 0.000 -2.479) 2.630 6.542 ( -0.672 0.000 -0.434) 0.800 6.575 ( 4.621 0.000 1.720) 4.931 6.635 ( 0.113 0.000 0.624) 0.635 6.683 ( 2.561 0.000 5.196) 5.793 6.775 ( 0.176 0.000 -0.819) 0.837 6.782 ( -0.182 0.000 -2.995) 3.000 6.878 ( -0.145 0.000 0.477) 0.499 7.060 ( 3.333 0.000 2.477) 4.152 7.122 ( -2.929 0.000 -2.391) 3.781 7.203 ( -2.999 0.000 -4.853) 5.705 7.330 ( 0.319 0.000 0.244) 0.401 7.395 ( -0.347 0.000 -0.417) 0.543 7.435 ( 0.116 0.000 0.087) 0.145 7.767 ( -3.166 0.000 1.972) 3.729 7.831 ( 3.337 0.000 4.664) 5.735 8.221 ( -1.694 0.000 -1.551) 2.297 8.286 ( 0.349 0.000 -4.519) 4.532 8.499 ( 0.382 0.000 0.117) 0.400 8.666 ( 2.883 0.000 2.340) 3.713 8.770 ( -1.532 0.000 -1.033) 1.848 8.864 ( -0.065 0.000 -2.202) 2.203 9.569 ( -3.471 0.000 7.205) 7.997 9.861 ( 1.862 0.000 -4.104) 4.506 10.201 ( -0.615 0.000 0.194) 0.645 10.332 ( 0.036 0.000 -0.978) 0.979 ======================= Grid point 131 (58/91) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 8.747 0.000 -0.863) 8.789 1.039 ( 3.053 0.000 14.955) 15.263 1.110 ( 1.138 0.000 1.500) 1.883 1.196 ( 6.276 0.000 -12.012) 13.553 1.329 ( -5.743 0.000 0.111) 5.744 1.408 ( -2.766 0.000 5.701) 6.337 1.939 ( -3.510 0.000 0.537) 3.550 1.989 ( -6.224 0.000 1.051) 6.312 2.018 ( -0.328 0.000 0.207) 0.388 2.073 ( 1.649 0.000 -1.000) 1.928 2.121 ( 11.439 0.000 23.125) 25.799 2.190 ( -8.613 0.000 -3.180) 9.181 2.351 ( -7.001 0.000 -12.474) 14.304 2.356 ( 0.898 0.000 -1.528) 1.773 2.577 ( 12.695 0.000 -26.974) 29.812 2.600 ( -0.217 0.000 0.984) 1.007 2.765 ( 6.458 0.000 3.644) 7.416 2.982 ( 7.361 0.000 5.826) 9.388 3.167 ( -19.104 0.000 2.325) 19.245 3.871 ( 7.171 0.000 -0.412) 7.183 4.027 ( -9.905 0.000 -10.061) 14.118 4.126 ( 0.552 0.000 7.409) 7.429 4.245 ( 4.909 0.000 -0.682) 4.956 4.399 ( 2.112 0.000 4.818) 5.261 5.157 ( -4.438 0.000 -2.345) 5.019 5.214 ( 0.448 0.000 5.246) 5.265 5.765 ( -0.297 0.000 -0.552) 0.627 5.803 ( 0.218 0.000 -0.813) 0.841 5.809 ( 2.609 0.000 1.170) 2.859 5.950 ( -8.600 0.000 -2.180) 8.872 5.974 ( 0.366 0.000 2.431) 2.459 6.109 ( -2.694 0.000 2.378) 3.594 6.317 ( -1.645 0.000 -4.735) 5.012 6.352 ( 2.316 0.000 2.958) 3.757 6.366 ( 0.864 0.000 -0.761) 1.151 6.531 ( -0.681 0.000 0.935) 1.157 6.583 ( -0.383 0.000 -6.226) 6.238 6.634 ( -0.331 0.000 0.152) 0.364 6.647 ( -4.755 0.000 -2.846) 5.542 6.769 ( 0.507 0.000 0.439) 0.671 6.778 ( 0.616 0.000 -0.579) 0.846 6.879 ( -0.142 0.000 0.461) 0.482 7.034 ( -3.538 0.000 -3.337) 4.863 7.106 ( -0.604 0.000 3.241) 3.297 7.292 ( 9.641 0.000 2.811) 10.042 7.329 ( -0.289 0.000 -0.542) 0.614 7.396 ( 0.332 0.000 0.517) 0.615 7.435 ( -0.047 0.000 -0.184) 0.190 7.687 ( -5.287 0.000 2.379) 5.797 7.915 ( 3.030 0.000 0.566) 3.083 8.196 ( -1.304 0.000 2.547) 2.861 8.321 ( 5.031 0.000 -3.203) 5.964 8.527 ( 1.926 0.000 -0.212) 1.938 8.626 ( -4.321 0.000 -3.128) 5.334 8.812 ( 3.492 0.000 2.917) 4.550 8.902 ( 4.673 0.000 -2.949) 5.525 9.564 ( -2.343 0.000 8.426) 8.746 9.854 ( 0.527 0.000 -5.039) 5.067 10.149 ( -4.793 0.000 1.412) 4.997 10.291 ( -3.509 0.000 -0.183) 3.514 ======================= Grid point 132 (59/91) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -5.199 0.000 2.077) 5.599 1.106 ( -6.393 0.000 8.582) 10.701 1.230 ( 2.504 0.000 -8.329) 8.697 1.270 ( 13.549 0.000 -0.402) 13.554 1.309 ( 6.003 0.000 2.707) 6.585 1.489 ( 6.374 0.000 6.436) 9.058 1.793 ( -7.904 0.000 -0.353) 7.912 1.885 ( -2.143 0.000 0.093) 2.145 2.002 ( -0.933 0.000 -0.782) 1.217 2.003 ( -5.480 0.000 -6.889) 8.803 2.085 ( 0.347 0.000 -0.674) 0.759 2.183 ( -1.484 0.000 -12.211) 12.301 2.366 ( 0.927 0.000 -1.261) 1.565 2.495 ( -26.612 0.000 11.570) 29.019 2.602 ( -0.209 0.000 0.996) 1.018 2.641 ( 14.802 0.000 3.704) 15.259 2.701 ( 16.503 0.000 -2.596) 16.706 3.085 ( -1.541 0.000 6.549) 6.728 3.169 ( 12.273 0.000 -3.151) 12.671 3.703 ( -14.174 0.000 -16.206) 21.530 3.944 ( -1.537 0.000 3.009) 3.379 4.177 ( 1.105 0.000 4.460) 4.595 4.278 ( 1.074 0.000 -3.590) 3.747 4.499 ( 3.173 0.000 6.612) 7.334 5.065 ( -3.486 0.000 -1.195) 3.685 5.317 ( 6.436 0.000 8.551) 10.702 5.733 ( -10.735 0.000 -7.859) 13.304 5.761 ( 0.395 0.000 -0.559) 0.684 5.786 ( -1.056 0.000 -1.180) 1.584 5.886 ( 3.608 0.000 2.256) 4.255 6.028 ( 2.516 0.000 5.203) 5.779 6.093 ( -0.933 0.000 3.850) 3.962 6.240 ( -3.024 0.000 -5.488) 6.266 6.309 ( -2.960 0.000 -4.934) 5.753 6.409 ( 1.955 0.000 1.387) 2.397 6.523 ( -0.633 0.000 0.645) 0.904 6.529 ( -1.361 0.000 -2.214) 2.599 6.604 ( -0.228 0.000 -4.513) 4.519 6.631 ( -0.158 0.000 0.305) 0.343 6.757 ( -0.391 0.000 -0.723) 0.822 6.786 ( 0.457 0.000 -0.480) 0.663 6.879 ( -0.172 0.000 0.486) 0.516 6.959 ( -2.847 0.000 -0.988) 3.014 7.125 ( 0.995 0.000 2.513) 2.703 7.318 ( -0.298 0.000 -0.631) 0.698 7.408 ( 0.460 0.000 0.784) 0.909 7.431 ( -0.179 0.000 -0.413) 0.450 7.469 ( 5.753 0.000 3.480) 6.723 7.634 ( -1.765 0.000 1.706) 2.454 7.940 ( -0.726 0.000 -0.013) 0.726 8.213 ( 0.787 0.000 4.983) 5.044 8.387 ( 3.865 0.000 -4.367) 5.831 8.538 ( -2.406 0.000 -2.629) 3.563 8.546 ( -0.114 0.000 -0.137) 0.178 8.871 ( -0.619 0.000 5.600) 5.634 8.968 ( 4.715 0.000 -5.198) 7.017 9.598 ( 0.799 0.000 6.935) 6.981 9.818 ( -0.678 0.000 -5.313) 5.356 10.080 ( -3.370 0.000 2.910) 4.453 10.217 ( -3.133 0.000 -1.405) 3.433 ======================= Grid point 133 (60/91) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -13.902 0.000 12.549) 18.728 0.973 ( -12.714 0.000 13.407) 18.477 1.260 ( 3.149 0.000 -4.929) 5.849 1.417 ( 5.521 0.000 -5.480) 7.778 1.439 ( 7.865 0.000 -16.508) 18.286 1.600 ( 2.335 0.000 -1.871) 2.992 1.829 ( 6.872 0.000 4.393) 8.156 1.874 ( 0.869 0.000 0.845) 1.212 1.892 ( 2.229 0.000 -4.482) 5.006 1.970 ( -24.530 0.000 15.913) 29.240 1.986 ( -0.446 0.000 0.560) 0.716 2.084 ( -0.065 0.000 -0.407) 0.412 2.257 ( 0.645 0.000 7.620) 7.647 2.368 ( 0.186 0.000 -1.426) 1.438 2.604 ( -0.263 0.000 0.836) 0.877 2.846 ( 19.550 0.000 -21.972) 29.410 3.005 ( -5.431 0.000 6.151) 8.206 3.095 ( 7.233 0.000 10.016) 12.355 3.205 ( -11.410 0.000 -19.500) 22.593 3.499 ( 10.369 0.000 -0.819) 10.401 3.892 ( -7.077 0.000 8.636) 11.165 4.194 ( -3.075 0.000 4.149) 5.165 4.282 ( 2.675 0.000 -4.553) 5.281 4.532 ( -3.686 0.000 3.089) 4.809 5.051 ( 2.503 0.000 0.339) 2.526 5.490 ( -8.478 0.000 -9.811) 12.967 5.549 ( 11.381 0.000 11.130) 15.918 5.760 ( -0.798 0.000 -0.436) 0.909 5.775 ( 0.945 0.000 0.002) 0.945 5.922 ( -1.066 0.000 -1.165) 1.579 6.107 ( 1.266 0.000 1.806) 2.205 6.139 ( 3.010 0.000 3.621) 4.708 6.154 ( -1.657 0.000 -1.405) 2.172 6.249 ( 0.373 0.000 -3.411) 3.431 6.423 ( -0.922 0.000 0.011) 0.922 6.518 ( 0.228 0.000 -0.709) 0.745 6.531 ( 1.393 0.000 -0.205) 1.408 6.561 ( -0.881 0.000 -0.887) 1.250 6.629 ( -0.418 0.000 0.519) 0.666 6.724 ( -3.654 0.000 2.067) 4.198 6.787 ( 0.049 0.000 -0.602) 0.604 6.879 ( -0.201 0.000 0.517) 0.555 6.961 ( 3.408 0.000 -0.432) 3.436 7.163 ( 2.194 0.000 -1.187) 2.494 7.314 ( 0.090 0.000 -0.161) 0.185 7.419 ( 0.094 0.000 0.208) 0.229 7.424 ( -0.114 0.000 -0.215) 0.244 7.509 ( -2.968 0.000 -0.237) 2.978 7.641 ( 1.459 0.000 1.099) 1.827 7.894 ( -4.855 0.000 3.754) 6.137 8.271 ( 1.952 0.000 1.339) 2.367 8.391 ( 1.012 0.000 -6.840) 6.915 8.518 ( 0.726 0.000 -0.004) 0.726 8.533 ( -1.091 0.000 1.115) 1.560 8.857 ( -4.435 0.000 5.722) 7.240 8.991 ( 1.277 0.000 -5.899) 6.035 9.643 ( -0.745 0.000 1.240) 1.447 9.795 ( 2.272 0.000 -2.565) 3.426 10.088 ( 2.439 0.000 3.983) 4.670 10.187 ( 0.695 0.000 0.274) 0.747 ======================= Grid point 134 (61/91) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -10.476 0.000 16.888) 19.874 0.865 ( -9.185 0.000 19.208) 21.291 1.253 ( 0.009 0.000 -6.372) 6.372 1.374 ( -1.928 0.000 -16.742) 16.853 1.443 ( 2.773 0.000 -8.952) 9.372 1.553 ( -1.876 0.000 -6.250) 6.525 1.706 ( -17.215 0.000 26.990) 32.012 1.924 ( 3.142 0.000 1.806) 3.624 1.982 ( 10.539 0.000 6.158) 12.206 1.992 ( -0.213 0.000 2.185) 2.195 2.076 ( -0.483 0.000 -0.808) 0.942 2.153 ( 14.695 0.000 8.429) 16.941 2.327 ( 2.609 0.000 -1.410) 2.966 2.358 ( -0.006 0.000 -1.597) 1.597 2.603 ( -0.386 0.000 0.671) 0.774 2.774 ( -9.186 0.000 -24.580) 26.240 2.840 ( -7.744 0.000 -10.935) 13.400 3.111 ( -6.442 0.000 -5.425) 8.422 3.213 ( 19.542 0.000 -3.723) 19.893 3.736 ( 2.654 0.000 10.762) 11.084 3.867 ( 2.640 0.000 8.202) 8.616 4.130 ( -6.067 0.000 6.301) 8.747 4.302 ( 2.580 0.000 -6.786) 7.260 4.438 ( -6.790 0.000 1.979) 7.072 5.123 ( 3.803 0.000 1.149) 3.973 5.323 ( -3.842 0.000 -6.347) 7.419 5.752 ( 0.008 0.000 0.701) 0.701 5.793 ( 0.807 0.000 -0.067) 0.809 5.830 ( 3.878 0.000 4.116) 5.655 5.870 ( 4.798 0.000 1.597) 5.056 6.044 ( -2.643 0.000 -4.580) 5.288 6.181 ( 2.501 0.000 -4.943) 5.540 6.215 ( 2.448 0.000 5.678) 6.184 6.324 ( 4.203 0.000 4.199) 5.941 6.394 ( -1.433 0.000 -1.190) 1.863 6.477 ( -2.785 0.000 4.023) 4.893 6.551 ( 0.636 0.000 -1.045) 1.223 6.602 ( 3.482 0.000 1.452) 3.773 6.626 ( -0.052 0.000 0.869) 0.870 6.723 ( 2.372 0.000 4.005) 4.654 6.781 ( -0.171 0.000 -0.803) 0.821 6.878 ( -0.181 0.000 0.512) 0.543 7.019 ( 2.264 0.000 -0.730) 2.379 7.174 ( 0.186 0.000 -3.625) 3.630 7.320 ( 0.437 0.000 0.339) 0.553 7.370 ( -9.031 0.000 -4.713) 10.186 7.409 ( -0.552 0.000 -0.760) 0.939 7.430 ( 0.247 0.000 0.361) 0.437 7.703 ( 4.684 0.000 0.997) 4.789 7.835 ( -5.024 0.000 7.087) 8.687 8.267 ( -0.991 0.000 -3.513) 3.650 8.347 ( -1.719 0.000 -5.957) 6.200 8.515 ( -1.858 0.000 1.624) 2.468 8.571 ( 4.152 0.000 2.072) 4.640 8.806 ( -3.662 0.000 3.954) 5.389 8.936 ( -2.689 0.000 -6.405) 6.947 9.602 ( -3.683 0.000 3.300) 4.945 9.838 ( 3.154 0.000 -3.322) 4.581 10.172 ( 3.541 0.000 -0.841) 3.639 10.266 ( 5.814 0.000 3.035) 6.558 ======================= Grid point 135 (62/91) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 4.692 7.317 16.598) 18.736 0.991 ( -2.210 8.634 19.578) 21.511 1.228 ( -4.530 3.086 -15.721) 16.649 1.312 ( 1.021 9.423 -12.444) 15.643 1.491 ( -0.848 6.282 -1.241) 6.459 1.545 ( -2.292 8.597 -6.964) 11.299 1.862 ( -1.919 11.733 24.441) 27.180 2.017 ( 4.525 1.177 -0.148) 4.678 2.070 ( -1.153 7.273 5.899) 9.435 2.128 ( -1.550 8.772 2.178) 9.170 2.242 ( -1.341 9.835 -1.338) 10.016 2.337 ( 4.006 1.261 -2.419) 4.847 2.414 ( -0.392 5.787 0.255) 5.806 2.527 ( 11.081 2.300 3.471) 11.838 2.591 ( -6.887 5.200 -3.514) 9.318 2.705 ( 4.910 10.686 -27.477) 29.888 2.744 ( -1.328 11.492 -0.881) 11.602 2.936 ( -5.227 3.340 -2.883) 6.840 3.485 ( -3.417 1.796 1.634) 4.192 3.675 ( 2.661 -2.175 1.906) 3.930 4.014 ( 3.026 -3.097 8.619) 9.645 4.104 ( 3.740 -2.411 5.391) 6.990 4.210 ( -5.090 -2.119 -6.348) 8.408 4.302 ( -0.976 -6.788 0.527) 6.878 5.160 ( 0.885 -2.054 1.954) 2.970 5.215 ( -2.033 -2.702 -2.502) 4.206 5.621 ( 0.780 -5.484 1.790) 5.821 5.834 ( 0.227 -0.797 -0.115) 0.837 5.899 ( 1.451 1.606 1.136) 2.445 5.949 ( -2.161 4.597 -2.020) 5.467 6.135 ( -0.940 3.394 -2.684) 4.428 6.223 ( -1.506 7.095 1.994) 7.522 6.271 ( 0.925 -0.718 1.431) 1.849 6.338 ( 2.155 1.297 0.578) 2.581 6.395 ( -0.687 3.066 -2.427) 3.970 6.577 ( -0.014 2.107 -0.087) 2.109 6.626 ( 1.120 2.516 2.200) 3.525 6.661 ( 0.713 5.343 -1.302) 5.546 6.735 ( 0.980 2.211 3.627) 4.360 6.768 ( 0.524 -0.011 -0.650) 0.835 6.794 ( 1.434 1.689 -2.610) 3.424 6.882 ( 0.299 0.903 0.300) 0.997 7.067 ( 2.705 -0.003 1.462) 3.075 7.149 ( -2.945 1.728 -1.134) 3.597 7.192 ( -1.666 -1.069 -3.090) 3.670 7.333 ( -1.693 3.758 -0.219) 4.127 7.415 ( 0.368 1.689 -0.894) 1.946 7.445 ( 0.160 1.376 0.023) 1.386 7.754 ( -1.951 -1.702 1.077) 2.804 7.859 ( 1.438 2.976 5.114) 6.089 8.225 ( -1.692 0.136 -1.308) 2.143 8.315 ( 1.477 1.593 -5.135) 5.576 8.500 ( 0.492 -0.696 -2.040) 2.211 8.659 ( 2.030 0.006 2.590) 3.291 8.765 ( 0.349 -1.390 0.916) 1.701 8.850 ( -1.302 -0.619 -4.005) 4.257 9.536 ( -3.368 -3.269 7.344) 8.716 9.820 ( 1.793 -4.057 -4.280) 6.163 10.131 ( -0.532 -6.717 0.220) 6.741 10.226 ( 0.085 -9.493 1.389) 9.594 ======================= Grid point 136 (63/91) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 4.605 6.400 -7.404) 10.816 1.132 ( 3.684 6.313 13.683) 15.513 1.140 ( 4.872 5.624 11.173) 13.424 1.283 ( 5.197 7.797 -13.698) 16.596 1.451 ( -3.646 8.680 -2.785) 9.818 1.472 ( -2.718 9.048 5.707) 11.038 1.941 ( -2.661 0.854 0.848) 2.921 2.010 ( -2.153 3.135 -1.518) 4.095 2.087 ( -2.516 5.644 -1.039) 6.266 2.157 ( -4.115 8.134 -0.020) 9.116 2.240 ( 3.485 5.946 7.082) 9.882 2.272 ( -1.227 9.692 3.874) 10.510 2.384 ( -5.070 5.530 -4.988) 9.009 2.449 ( 1.617 9.039 2.602) 9.544 2.674 ( 9.070 9.115 -20.517) 24.214 2.704 ( 1.598 10.461 -3.414) 11.119 2.807 ( 8.210 4.970 2.779) 9.991 3.009 ( 6.505 2.784 5.469) 8.943 3.199 ( -18.645 3.787 2.025) 19.133 3.833 ( 6.544 -3.659 0.253) 7.502 4.008 ( -9.425 -2.213 -8.638) 12.974 4.090 ( 0.607 -3.237 5.835) 6.700 4.208 ( 3.165 -3.961 -1.842) 5.395 4.346 ( 3.652 -4.826 5.574) 8.228 5.133 ( -4.187 -2.285 -2.063) 5.197 5.184 ( -0.318 -2.636 4.231) 4.995 5.640 ( 0.692 -5.838 -0.917) 5.950 5.811 ( -2.402 -2.049 -0.653) 3.224 5.886 ( -1.702 1.454 -1.794) 2.869 5.954 ( 1.004 6.119 3.060) 6.915 6.067 ( -2.594 5.171 0.358) 5.796 6.210 ( -1.476 8.855 1.237) 9.062 6.331 ( 0.453 0.300 -3.401) 3.444 6.341 ( -0.533 0.424 1.675) 1.808 6.378 ( 1.657 1.000 -0.879) 2.126 6.556 ( -2.315 0.885 -0.583) 2.546 6.608 ( -1.361 2.784 -1.247) 3.341 6.660 ( -0.851 5.353 -0.991) 5.510 6.727 ( -1.979 0.543 -3.678) 4.212 6.763 ( -0.470 3.598 0.658) 3.688 6.797 ( 2.173 1.387 -0.615) 2.650 6.887 ( 0.141 1.386 -0.011) 1.393 7.041 ( -3.298 0.571 -3.186) 4.621 7.111 ( -2.946 -0.254 3.545) 4.616 7.242 ( 4.947 -1.911 0.359) 5.315 7.368 ( 3.541 2.532 2.488) 5.014 7.434 ( 2.328 3.674 0.445) 4.372 7.447 ( 0.577 1.875 -0.339) 1.991 7.682 ( -5.034 -0.585 2.132) 5.498 7.927 ( 2.319 1.244 1.277) 2.926 8.207 ( -0.686 0.756 2.406) 2.614 8.340 ( 4.113 1.261 -4.475) 6.208 8.510 ( 1.214 -2.250 -1.133) 2.797 8.624 ( -4.162 0.274 -2.109) 4.674 8.819 ( 2.374 0.728 3.078) 3.955 8.859 ( 4.200 -4.366 -3.291) 6.894 9.537 ( -1.865 -2.704 8.334) 8.958 9.812 ( 0.536 -4.144 -4.988) 6.507 10.089 ( -3.914 -5.731 1.204) 7.044 10.203 ( -2.753 -8.270 0.211) 8.718 ======================= Grid point 137 (64/91) ======================= q-point: ( 0.40 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -4.405 2.609 0.512) 5.146 1.259 ( -2.115 10.791 5.032) 12.093 1.325 ( 8.510 7.693 -5.971) 12.932 1.355 ( 0.551 5.707 7.337) 9.311 1.375 ( 8.725 10.195 -5.371) 14.454 1.536 ( 5.091 5.022 5.641) 9.108 1.813 ( -6.589 2.087 -0.291) 6.917 1.961 ( -3.029 5.995 -2.384) 7.127 1.993 ( -2.246 1.881 -4.816) 5.637 2.125 ( -2.261 9.059 1.609) 9.474 2.175 ( -1.183 8.365 -2.446) 8.795 2.238 ( -0.796 5.543 -8.820) 10.447 2.372 ( -3.884 2.886 -0.037) 4.839 2.630 ( -10.635 10.132 8.682) 17.062 2.664 ( -4.176 7.560 5.667) 10.330 2.758 ( 10.602 11.329 -6.657) 16.884 2.808 ( 12.189 11.364 2.693) 16.881 3.099 ( -1.481 1.447 5.957) 6.307 3.178 ( 12.123 1.224 -2.742) 12.489 3.709 ( -13.203 0.633 -14.335) 19.499 3.901 ( -1.324 -4.265 2.566) 5.151 4.133 ( 0.802 -4.315 4.089) 5.999 4.224 ( 0.995 -5.415 -3.436) 6.490 4.461 ( 3.177 -3.817 6.134) 7.893 5.047 ( -3.157 -1.644 -1.139) 3.737 5.247 ( 3.567 -6.148 6.290) 9.491 5.603 ( -3.577 -5.040 -5.318) 8.153 5.756 ( -1.767 -3.325 -0.315) 3.779 5.848 ( -0.973 4.380 -1.337) 4.682 5.994 ( 1.287 6.357 4.715) 8.018 6.083 ( 2.464 5.287 1.520) 6.027 6.192 ( -0.819 8.843 1.104) 8.950 6.244 ( -3.587 0.853 -3.251) 4.916 6.341 ( -1.522 2.558 -2.687) 4.010 6.417 ( 1.759 0.401 -0.470) 1.864 6.504 ( -1.554 -0.768 -0.969) 1.986 6.577 ( -0.674 1.371 -3.743) 4.043 6.625 ( -1.286 6.841 1.294) 7.080 6.723 ( 1.426 0.332 -0.885) 1.711 6.752 ( -0.991 5.484 -0.312) 5.581 6.825 ( 1.300 2.863 -0.822) 3.250 6.886 ( -0.424 1.514 -0.270) 1.595 6.972 ( -2.371 1.260 -0.626) 2.757 7.081 ( -1.119 -3.828 1.834) 4.389 7.306 ( 1.892 0.111 0.189) 1.904 7.413 ( 0.960 0.626 0.333) 1.193 7.441 ( -0.199 1.161 -0.432) 1.255 7.546 ( 4.728 5.909 4.050) 8.583 7.629 ( -1.751 -0.219 1.446) 2.281 7.943 ( -1.236 0.386 0.338) 1.338 8.234 ( 1.198 1.559 4.893) 5.274 8.385 ( 3.504 -0.191 -5.599) 6.608 8.508 ( -1.063 -3.244 -1.413) 3.695 8.546 ( -1.872 0.533 -1.246) 2.311 8.848 ( -1.803 -3.059 5.177) 6.278 8.931 ( 5.159 -2.938 -4.702) 7.573 9.577 ( 0.846 -2.094 7.041) 7.394 9.779 ( -0.476 -3.872 -5.019) 6.356 10.029 ( -3.188 -4.981 2.160) 6.296 10.146 ( -2.438 -6.933 -1.105) 7.432 ======================= Grid point 138 (65/91) ======================= q-point: (-0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -10.852 4.731 10.312) 15.700 1.125 ( -12.586 11.148 8.938) 19.041 1.378 ( 4.139 10.551 -5.386) 12.548 1.444 ( 4.815 4.246 -7.033) 9.522 1.521 ( 5.639 7.641 -10.704) 14.310 1.622 ( 2.417 2.517 -1.363) 3.747 1.831 ( 5.493 1.255 3.598) 6.685 1.902 ( 1.193 1.284 -4.804) 5.114 1.967 ( 2.143 7.337 -0.103) 7.644 2.059 ( -16.211 9.084 13.304) 22.854 2.111 ( 0.142 11.407 1.726) 11.538 2.200 ( 0.153 9.326 -3.212) 9.865 2.289 ( -0.370 4.449 5.877) 7.380 2.480 ( -3.822 11.191 2.679) 12.125 2.680 ( -0.019 6.925 0.933) 6.988 2.934 ( 17.864 9.330 -19.423) 27.990 3.012 ( -6.067 0.762 6.185) 8.697 3.126 ( 5.875 3.591 8.140) 10.661 3.248 ( -9.315 4.429 -17.515) 20.326 3.519 ( 9.994 2.124 -0.117) 10.218 3.848 ( -7.080 -4.366 8.326) 11.770 4.149 ( -2.771 -4.345 3.935) 6.484 4.227 ( 2.627 -5.475 -4.492) 7.553 4.491 ( -3.493 -4.061 2.872) 6.077 5.033 ( 2.201 -1.561 0.319) 2.717 5.333 ( -0.171 -11.363 -0.188) 11.366 5.515 ( 0.110 -0.060 0.841) 0.850 5.754 ( 1.324 -3.153 0.018) 3.420 5.841 ( 0.796 4.509 -0.567) 4.614 6.044 ( 0.550 7.034 1.260) 7.167 6.139 ( 2.361 3.767 2.597) 5.149 6.156 ( -1.422 2.856 -5.469) 6.332 6.229 ( 2.009 5.188 2.437) 6.073 6.306 ( 0.588 6.337 -1.420) 6.521 6.410 ( -1.666 -0.999 -0.168) 1.949 6.507 ( 2.228 -0.183 -0.997) 2.448 6.548 ( -0.808 1.146 -1.109) 1.788 6.629 ( 0.795 6.210 1.018) 6.343 6.708 ( -2.993 2.744 1.578) 4.357 6.738 ( -0.248 4.993 -0.412) 5.016 6.821 ( -1.418 3.185 -0.508) 3.523 6.877 ( -0.122 0.592 0.608) 0.858 6.974 ( 2.445 1.194 -0.080) 2.722 7.102 ( 2.675 -4.748 -0.385) 5.463 7.317 ( -0.499 0.725 -0.795) 1.186 7.424 ( 0.230 0.833 -0.720) 1.124 7.435 ( -0.006 1.154 -0.010) 1.154 7.586 ( -3.192 6.161 0.460) 6.954 7.635 ( 1.890 -0.480 0.911) 2.152 7.901 ( -3.972 0.803 3.835) 5.579 8.293 ( 1.435 1.535 2.216) 3.054 8.378 ( 0.891 -1.126 -8.195) 8.320 8.498 ( 1.410 -2.249 -0.015) 2.655 8.527 ( -0.671 -0.113 0.832) 1.075 8.823 ( -4.261 -3.885 5.352) 7.867 8.966 ( 1.945 -2.010 -5.602) 6.261 9.614 ( -1.683 -2.838 2.224) 3.979 9.763 ( 2.518 -3.167 -2.832) 4.939 10.025 ( 1.360 -5.983 3.883) 7.261 10.124 ( 0.651 -6.178 0.032) 6.213 ======================= Grid point 139 (66/91) ======================= q-point: (-0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -8.484 7.699 15.196) 19.031 0.986 ( -9.547 10.050 15.606) 20.873 1.370 ( -0.451 10.025 -8.002) 12.834 1.409 ( -1.576 4.164 -15.432) 16.062 1.505 ( 1.805 6.186 -6.637) 9.251 1.615 ( 0.375 5.933 -8.608) 10.461 1.838 ( -11.260 11.916 19.938) 25.813 1.933 ( 3.658 0.460 2.387) 4.393 2.007 ( 4.610 5.348 4.458) 8.351 2.104 ( 4.429 7.891 6.306) 11.030 2.169 ( 1.868 7.656 0.990) 7.942 2.242 ( 9.254 10.072 3.207) 14.049 2.336 ( 1.955 1.751 -1.167) 2.872 2.446 ( -1.414 8.884 0.513) 9.010 2.680 ( -0.764 6.827 0.763) 6.912 2.840 ( -10.169 4.280 -4.138) 11.784 2.900 ( -5.071 8.869 -25.248) 27.237 3.130 ( -6.911 2.150 -4.863) 8.719 3.251 ( 18.775 4.443 -4.539) 19.821 3.729 ( -0.749 -0.897 9.694) 9.764 3.840 ( 5.718 -2.387 8.206) 10.283 4.091 ( -5.580 -3.809 6.010) 9.043 4.251 ( 3.008 -5.299 -6.024) 8.569 4.394 ( -7.290 -4.014 1.224) 8.412 5.102 ( 3.862 -1.921 1.045) 4.438 5.268 ( -2.149 -4.893 -4.253) 6.830 5.582 ( 1.672 -5.444 4.932) 7.534 5.800 ( 2.928 -3.162 0.509) 4.340 5.864 ( 1.605 3.170 0.311) 3.567 6.014 ( -2.553 6.076 -2.609) 7.088 6.123 ( 2.283 4.617 -5.307) 7.395 6.205 ( 1.742 4.577 3.090) 5.790 6.267 ( 1.275 3.763 0.776) 4.048 6.346 ( -2.579 -0.528 1.268) 2.922 6.382 ( 2.832 3.382 -0.828) 4.488 6.545 ( 2.289 5.251 2.671) 6.320 6.561 ( 2.221 -0.390 -0.370) 2.286 6.667 ( -0.528 2.620 1.880) 3.268 6.676 ( 2.354 7.363 0.228) 7.734 6.743 ( 1.022 2.480 1.420) 3.035 6.791 ( -1.332 1.224 -0.536) 1.887 6.879 ( -0.219 0.658 0.806) 1.063 7.019 ( 2.075 -0.390 0.016) 2.111 7.159 ( 3.158 -2.104 -1.542) 4.096 7.273 ( -3.340 -0.512 -2.302) 4.088 7.411 ( -1.083 1.709 -1.776) 2.692 7.440 ( 0.092 1.286 0.265) 1.317 7.460 ( -7.306 5.181 -2.138) 9.208 7.702 ( 4.623 -0.459 0.151) 4.648 7.861 ( -4.173 2.601 6.988) 8.545 8.278 ( -1.889 0.623 -3.118) 3.698 8.343 ( -0.016 -0.865 -5.837) 5.901 8.515 ( -0.355 -0.920 -1.289) 1.623 8.568 ( 4.156 0.573 3.241) 5.301 8.778 ( -3.385 -3.226 4.393) 6.416 8.927 ( -1.723 -0.534 -6.822) 7.056 9.568 ( -4.005 -3.292 3.976) 6.533 9.801 ( 2.935 -3.631 -3.697) 5.955 10.102 ( 3.379 -6.922 0.619) 7.728 10.173 ( 3.204 -8.199 3.429) 9.447 ======================= Grid point 140 (67/91) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 3.732 13.878 12.088) 18.779 1.200 ( -2.399 12.145 14.758) 19.262 1.347 ( -4.451 9.237 -12.676) 16.304 1.507 ( 0.715 10.119 -12.793) 16.327 1.639 ( 0.078 8.433 -5.837) 10.257 1.775 ( -0.245 12.979 -2.479) 13.216 2.049 ( 2.236 3.841 -0.350) 4.459 2.070 ( -0.304 7.634 1.981) 7.892 2.240 ( 1.526 8.834 5.859) 10.710 2.342 ( -1.532 8.815 1.664) 9.100 2.386 ( 5.181 4.884 0.412) 7.132 2.448 ( -3.018 7.671 -3.130) 8.818 2.547 ( 3.781 5.933 3.018) 7.656 2.638 ( -4.662 15.081 8.833) 18.089 2.777 ( 1.992 11.841 -0.403) 12.015 2.961 ( 2.204 13.243 -9.241) 16.298 3.021 ( -1.661 10.949 -0.053) 11.074 3.090 ( -1.880 18.674 -9.569) 21.066 3.561 ( -6.261 6.114 1.758) 8.926 3.630 ( 5.176 -1.359 0.611) 5.386 3.919 ( 0.666 -6.557 5.738) 8.738 4.050 ( 3.341 -2.801 3.246) 5.435 4.114 ( 2.253 -11.125 -1.175) 11.412 4.167 ( -5.659 -2.892 -1.911) 6.636 5.110 ( 0.764 -2.813 0.835) 3.032 5.160 ( -1.175 -2.544 -1.406) 3.135 5.562 ( 0.691 -0.842 0.607) 1.247 5.782 ( 0.417 -2.563 0.858) 2.735 5.914 ( 0.371 -0.611 -0.308) 0.778 6.031 ( -1.112 3.299 0.045) 3.482 6.214 ( -0.761 3.576 -1.806) 4.078 6.247 ( 0.132 -0.614 1.115) 1.280 6.304 ( 0.117 -1.376 2.651) 2.989 6.413 ( 1.186 7.225 -0.822) 7.368 6.487 ( -0.572 4.521 0.330) 4.569 6.621 ( 1.435 2.794 -0.342) 3.159 6.697 ( 0.544 2.443 1.384) 2.860 6.710 ( -1.627 -0.920 -0.771) 2.022 6.723 ( -2.178 0.370 0.983) 2.418 6.783 ( 1.692 1.038 -3.077) 3.662 6.878 ( 2.982 5.978 -0.214) 6.684 6.946 ( 0.298 5.900 -0.915) 5.978 7.064 ( 2.103 0.414 2.301) 3.144 7.140 ( -1.237 -0.303 -2.879) 3.148 7.227 ( -2.492 2.823 1.139) 3.934 7.427 ( -0.658 0.272 -0.730) 1.020 7.498 ( 0.482 3.904 -0.567) 3.975 7.520 ( -0.982 12.430 0.030) 12.468 7.697 ( -0.715 -3.818 0.183) 3.889 7.934 ( -0.227 3.704 4.174) 5.585 8.223 ( -2.048 -0.077 0.178) 2.057 8.307 ( 1.848 -2.918 -2.020) 4.001 8.450 ( 2.017 -3.601 -7.462) 8.527 8.659 ( -1.294 -4.938 3.684) 6.296 8.716 ( 4.080 1.299 0.169) 4.285 8.866 ( -2.363 1.733 -4.361) 5.254 9.450 ( -3.022 -5.256 7.539) 9.674 9.712 ( 1.568 -6.656 -4.640) 8.264 9.964 ( -0.378 -9.712 1.720) 9.870 10.012 ( 0.167 -11.584 1.235) 11.651 ======================= Grid point 141 (68/91) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.104 8.343 -6.703) 10.702 1.312 ( 3.015 11.457 12.200) 17.006 1.324 ( 9.438 12.381 10.137) 18.577 1.465 ( 3.292 10.499 -11.903) 16.209 1.609 ( 0.570 8.918 -2.762) 9.354 1.741 ( -3.115 14.551 0.157) 14.881 1.968 ( -5.892 2.339 -2.603) 6.853 2.099 ( -0.248 4.548 -1.571) 4.818 2.223 ( -5.839 7.716 -1.753) 9.834 2.297 ( -1.826 5.526 -2.517) 6.341 2.395 ( 0.232 9.819 -0.239) 9.825 2.424 ( -2.269 6.103 1.105) 6.604 2.558 ( 0.832 10.346 -2.367) 10.646 2.709 ( 1.883 14.575 11.943) 18.937 2.901 ( 3.867 11.265 -7.171) 13.902 2.926 ( 8.790 13.791 3.688) 16.765 3.035 ( 3.530 14.659 -9.764) 17.964 3.116 ( 2.998 12.436 5.607) 13.968 3.347 ( -13.408 11.852 1.675) 17.974 3.743 ( 4.104 -5.030 -0.044) 6.492 3.918 ( -5.494 -7.253 -0.247) 9.103 4.033 ( -1.417 -2.489 -2.028) 3.509 4.079 ( 0.177 -8.757 -2.683) 9.161 4.244 ( 5.551 -4.938 5.634) 9.324 5.080 ( -3.466 -2.820 -1.397) 4.681 5.130 ( -1.709 -2.559 2.096) 3.724 5.572 ( 0.438 -1.198 -1.079) 1.671 5.757 ( -2.898 -2.359 -0.587) 3.783 5.897 ( -0.947 -0.083 -0.573) 1.110 6.062 ( 2.410 4.101 2.275) 5.273 6.165 ( -1.799 3.483 -0.858) 4.013 6.299 ( 3.437 -1.049 -0.004) 3.593 6.332 ( 0.236 0.137 2.061) 2.079 6.400 ( -2.085 4.534 -1.256) 5.146 6.445 ( -2.125 5.608 0.135) 5.999 6.579 ( -3.000 2.671 -3.312) 5.206 6.689 ( -1.548 -0.493 0.111) 1.629 6.712 ( -0.489 3.799 1.586) 4.146 6.734 ( 1.111 2.419 1.604) 3.108 6.790 ( 1.949 -0.548 -2.446) 3.175 6.891 ( 0.825 6.187 -2.855) 6.863 6.957 ( 0.991 5.700 -0.444) 5.802 7.056 ( -2.441 1.173 -2.760) 3.867 7.100 ( -3.024 0.346 2.216) 3.765 7.258 ( 3.940 2.479 2.201) 5.149 7.421 ( 0.083 1.878 0.576) 1.966 7.494 ( -0.207 3.883 -0.621) 3.938 7.559 ( 3.401 8.068 2.311) 9.055 7.661 ( -2.486 -1.288 1.091) 3.004 7.963 ( 0.662 2.212 1.832) 2.948 8.212 ( -0.197 -0.315 2.319) 2.349 8.338 ( 2.666 -2.510 -1.847) 4.101 8.442 ( 1.750 -3.395 -6.250) 7.325 8.641 ( -3.077 -0.084 1.665) 3.500 8.742 ( 0.408 -5.860 -5.117) 7.791 8.844 ( 1.406 1.684 2.587) 3.392 9.465 ( -0.744 -4.417 8.045) 9.207 9.702 ( 0.617 -6.773 -4.870) 8.365 9.945 ( -2.277 -8.415 1.006) 8.775 10.002 ( -1.694 -11.545 0.254) 11.671 ======================= Grid point 142 (69/91) ======================= q-point: ( 0.40 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -2.231 9.614 -2.434) 10.165 1.442 ( 1.908 7.351 -8.066) 11.079 1.478 ( 5.350 10.357 9.738) 15.189 1.560 ( 7.755 13.094 5.071) 16.041 1.625 ( 1.206 13.023 -4.355) 13.785 1.683 ( 0.246 9.656 1.329) 9.750 1.871 ( -2.990 3.511 0.583) 4.649 2.017 ( -3.847 2.374 -7.175) 8.480 2.114 ( -3.130 6.632 -2.427) 7.724 2.262 ( -0.427 5.296 -2.914) 6.060 2.384 ( -1.702 11.366 0.926) 11.530 2.415 ( 1.167 11.307 0.510) 11.379 2.524 ( -3.827 12.325 -0.856) 12.934 2.792 ( 1.083 7.980 3.612) 8.826 2.896 ( -3.361 14.211 -1.168) 14.650 3.046 ( -1.494 10.513 7.727) 13.133 3.135 ( 5.941 20.750 -8.738) 23.285 3.179 ( 4.178 12.376 9.902) 16.392 3.247 ( 7.057 6.940 -1.500) 10.011 3.719 ( -9.921 -0.441 -6.365) 11.796 3.789 ( -0.946 -6.580 -1.137) 6.744 4.018 ( 0.039 -7.323 0.574) 7.346 4.084 ( 0.823 -7.755 -1.456) 7.933 4.358 ( 2.597 -6.459 4.780) 8.445 5.011 ( -2.274 -1.709 -1.050) 3.032 5.127 ( 0.009 -5.192 2.624) 5.818 5.561 ( -0.548 0.248 -2.451) 2.524 5.698 ( -2.137 -2.234 -0.496) 3.131 5.886 ( -0.023 0.632 -0.514) 0.815 6.105 ( 0.288 3.679 2.991) 4.750 6.170 ( 2.561 2.673 -0.349) 3.718 6.276 ( -3.771 1.768 -0.470) 4.191 6.336 ( -0.569 3.038 -0.259) 3.102 6.394 ( -1.756 3.755 2.431) 4.806 6.428 ( 2.426 0.739 -3.800) 4.568 6.533 ( 0.662 3.891 -2.106) 4.473 6.656 ( -1.897 5.443 -1.605) 5.984 6.679 ( -2.086 0.829 1.379) 2.634 6.765 ( 0.846 3.078 2.000) 3.767 6.815 ( 1.247 0.043 -2.318) 2.633 6.909 ( 1.652 5.368 -0.067) 5.617 6.966 ( -0.428 4.457 -1.744) 4.805 7.004 ( -0.016 2.151 -0.402) 2.189 7.046 ( -3.553 2.839 1.346) 4.743 7.330 ( 1.752 1.913 1.591) 3.042 7.435 ( 1.213 1.510 -0.209) 1.949 7.484 ( -0.323 3.429 -0.835) 3.545 7.605 ( -0.441 -0.070 2.077) 2.124 7.684 ( 3.255 5.512 2.686) 6.943 7.962 ( -1.834 1.838 0.962) 2.769 8.240 ( 1.039 -1.490 3.479) 3.925 8.378 ( 3.256 -1.835 -2.840) 4.694 8.426 ( -0.063 -3.521 -4.477) 5.695 8.578 ( -2.923 3.061 -0.785) 4.305 8.717 ( -1.407 -9.937 0.366) 10.043 8.898 ( 2.908 -0.434 -0.145) 2.944 9.519 ( 0.700 -3.827 7.421) 8.378 9.676 ( 0.194 -6.292 -4.673) 7.840 9.902 ( -2.689 -7.498 0.573) 7.986 9.969 ( -1.225 -10.508 -0.382) 10.586 ======================= Grid point 143 (70/91) ======================= q-point: (-0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -5.351 11.978 4.341) 13.819 1.339 ( -9.401 10.452 2.814) 14.337 1.568 ( 1.983 9.951 -5.604) 11.591 1.644 ( 4.456 12.768 0.682) 13.540 1.695 ( 0.438 6.719 -4.520) 8.109 1.718 ( 4.437 10.054 -5.557) 12.315 1.887 ( 4.590 4.573 0.669) 6.513 1.944 ( 0.624 3.043 -2.693) 4.111 2.099 ( 3.224 5.619 -1.238) 6.595 2.240 ( -0.795 5.976 -0.307) 6.036 2.366 ( -1.695 12.736 2.206) 13.036 2.414 ( -3.588 15.093 4.462) 16.143 2.467 ( -0.093 12.122 2.052) 12.295 2.772 ( -5.079 16.115 1.925) 17.005 2.836 ( -0.837 9.567 2.271) 9.868 3.040 ( -5.999 2.273 5.512) 8.457 3.209 ( 8.945 16.131 -8.484) 20.303 3.258 ( 4.790 11.664 -1.073) 12.655 3.390 ( -4.458 10.863 -9.645) 15.195 3.581 ( 8.204 3.615 2.381) 9.276 3.731 ( -6.493 -6.906 5.849) 11.138 4.030 ( -0.816 -7.884 1.644) 8.094 4.083 ( 1.157 -8.268 -2.708) 8.776 4.380 ( -2.875 -7.066 2.446) 8.011 5.001 ( 1.663 -1.442 0.008) 2.201 5.155 ( 1.490 -6.659 0.117) 6.825 5.534 ( -0.580 2.025 -0.378) 2.140 5.692 ( 1.449 -2.528 0.242) 2.924 5.885 ( 0.212 0.747 -0.379) 0.864 6.135 ( 1.784 1.424 0.620) 2.365 6.175 ( -3.096 2.814 -0.336) 4.197 6.253 ( 1.681 1.386 1.155) 2.466 6.330 ( 0.224 5.658 0.870) 5.729 6.371 ( -1.198 1.399 0.562) 1.926 6.448 ( 2.394 1.578 -3.560) 4.570 6.543 ( 0.378 3.910 -2.108) 4.458 6.618 ( -0.260 5.953 1.641) 6.181 6.685 ( 1.211 2.473 0.989) 2.926 6.778 ( -0.834 2.241 1.376) 2.759 6.804 ( -0.441 1.155 -1.962) 2.319 6.916 ( -2.919 5.493 -0.377) 6.232 6.936 ( 0.760 3.812 0.761) 3.961 7.001 ( -1.216 2.595 -0.015) 2.866 7.061 ( 4.468 2.135 -0.112) 4.954 7.338 ( -1.574 1.162 0.903) 2.155 7.455 ( 1.238 1.965 -1.982) 3.053 7.476 ( -0.011 3.235 -0.136) 3.238 7.623 ( 1.807 -0.595 0.051) 1.903 7.709 ( -2.988 5.792 0.705) 6.556 7.931 ( -2.221 2.438 3.809) 5.038 8.277 ( 0.512 -3.466 2.201) 4.138 8.369 ( -1.356 -0.222 -7.023) 7.156 8.429 ( 2.942 -4.308 -1.752) 5.504 8.557 ( 1.045 3.558 0.718) 3.777 8.691 ( -2.504 -9.381 3.029) 10.171 8.936 ( 2.164 -0.914 -3.394) 4.128 9.537 ( -3.536 -4.954 4.315) 7.460 9.679 ( 3.052 -5.201 -3.634) 7.040 9.880 ( -0.105 -8.288 2.974) 8.807 9.963 ( 0.757 -9.670 -0.192) 9.701 ======================= Grid point 144 (71/91) ======================= q-point: (-0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -4.234 14.872 8.735) 17.760 1.211 ( -7.889 12.549 10.912) 18.406 1.515 ( -2.964 7.733 -11.645) 14.290 1.595 ( -2.220 10.807 -10.267) 15.071 1.669 ( 1.067 9.323 -7.637) 12.099 1.777 ( 2.943 10.372 -3.773) 11.423 1.939 ( 5.386 2.165 1.007) 5.892 2.053 ( 3.569 5.440 3.203) 7.252 2.161 ( 1.774 10.706 4.774) 11.855 2.266 ( 5.290 5.087 0.054) 7.339 2.361 ( -1.739 12.002 3.263) 12.559 2.431 ( 2.594 10.994 6.754) 13.161 2.484 ( 0.438 11.104 -0.769) 11.139 2.698 ( -4.921 16.255 3.958) 17.439 2.821 ( -3.195 7.327 0.611) 8.017 2.952 ( -3.038 7.676 1.166) 8.338 3.163 ( -5.523 13.217 -12.826) 19.228 3.225 ( -4.703 11.223 -7.335) 14.208 3.412 ( 12.989 12.544 -5.120) 18.770 3.674 ( -4.354 -4.942 7.416) 9.919 3.808 ( 8.618 -0.532 6.649) 10.898 3.996 ( -3.548 -5.366 5.228) 8.289 4.099 ( 2.480 -9.723 -4.609) 11.043 4.296 ( -6.511 -5.804 0.253) 8.726 5.059 ( 3.607 -2.237 0.640) 4.292 5.172 ( 0.875 -4.293 -1.834) 4.749 5.542 ( 0.587 0.350 1.610) 1.749 5.740 ( 2.788 -2.396 1.079) 3.831 5.894 ( 1.136 0.099 -0.268) 1.172 6.094 ( -4.345 2.870 -0.686) 5.252 6.183 ( 3.450 1.008 -2.128) 4.177 6.271 ( -1.631 -0.103 2.126) 2.681 6.326 ( -3.261 1.795 3.370) 5.021 6.379 ( 2.468 5.960 -0.360) 6.461 6.463 ( 1.928 2.654 -1.850) 3.766 6.569 ( 3.936 1.074 -1.637) 4.396 6.661 ( 2.195 5.521 2.025) 6.277 6.720 ( 1.209 3.190 2.183) 4.050 6.758 ( -1.056 1.518 -0.715) 1.983 6.784 ( -0.237 1.395 -2.453) 2.832 6.856 ( -2.580 4.805 0.206) 5.458 6.947 ( -0.109 6.158 0.479) 6.178 7.011 ( 1.676 1.023 1.485) 2.462 7.136 ( 3.309 0.122 -1.231) 3.533 7.290 ( -3.571 1.392 -0.296) 3.844 7.447 ( -0.206 1.102 -2.324) 2.580 7.487 ( 0.812 3.462 -0.017) 3.556 7.597 ( -5.927 9.133 -1.138) 10.947 7.675 ( 2.410 -1.958 -0.526) 3.149 7.926 ( -1.916 3.345 5.461) 6.685 8.276 ( -3.050 -1.463 2.204) 4.037 8.303 ( 0.577 -2.441 -6.527) 6.992 8.454 ( 2.303 -4.444 -5.640) 7.541 8.622 ( 3.969 4.310 2.747) 6.471 8.669 ( -1.923 -7.806 3.474) 8.758 8.927 ( -0.094 0.475 -5.858) 5.878 9.481 ( -4.691 -5.359 5.356) 8.911 9.705 ( 2.360 -5.945 -4.618) 7.889 9.930 ( 1.938 -9.748 3.927) 10.687 9.987 ( 1.442 -10.319 0.688) 10.442 ======================= Grid point 145 (72/91) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.600 13.828 4.729) 14.702 1.454 ( -1.638 13.917 8.717) 16.503 1.568 ( -2.529 12.385 -5.687) 13.860 1.708 ( 1.683 9.927 -13.613) 16.932 1.800 ( -0.109 7.998 -3.824) 8.866 1.990 ( 1.491 8.738 -2.721) 9.272 2.151 ( 2.977 5.541 0.740) 6.333 2.185 ( -1.160 4.261 -0.810) 4.490 2.385 ( 1.308 6.048 5.160) 8.057 2.439 ( 1.555 2.402 0.549) 2.913 2.511 ( -4.777 5.817 -2.805) 8.032 2.517 ( 3.177 4.063 -3.295) 6.121 2.748 ( 0.688 11.106 -0.100) 11.128 2.899 ( -1.143 7.039 2.327) 7.501 3.037 ( -1.725 14.071 6.889) 15.762 3.173 ( 2.738 8.931 -0.790) 9.375 3.268 ( -3.281 13.611 6.280) 15.345 3.503 ( 2.392 15.944 -9.168) 18.547 3.622 ( -2.427 8.225 3.227) 9.163 3.778 ( -1.545 -6.383 0.631) 6.598 3.798 ( 0.787 14.993 -1.185) 15.061 3.865 ( 1.046 -12.484 -1.694) 12.642 4.008 ( 1.435 -1.427 1.843) 2.737 4.130 ( -1.292 -0.594 0.670) 1.572 5.061 ( 0.391 -2.009 0.061) 2.047 5.123 ( -0.447 -1.241 -0.739) 1.512 5.577 ( 0.420 2.184 -0.142) 2.229 5.745 ( 0.153 -1.185 0.993) 1.554 5.909 ( 0.113 0.587 0.255) 0.650 6.080 ( -0.212 2.148 -0.250) 2.172 6.230 ( 0.032 -1.053 1.542) 1.868 6.256 ( 3.130 -0.337 0.716) 3.228 6.276 ( -3.458 0.706 -1.091) 3.694 6.482 ( 0.873 -2.329 2.030) 3.211 6.546 ( -1.134 2.826 1.521) 3.404 6.621 ( 0.045 -2.287 -0.858) 2.443 6.687 ( 1.976 1.052 1.055) 2.475 6.743 ( -1.521 2.677 -4.134) 5.155 6.751 ( -0.657 0.724 0.358) 1.041 6.889 ( -0.316 8.366 -1.672) 8.537 6.986 ( 1.763 4.603 1.255) 5.086 7.063 ( 0.921 3.894 0.812) 4.083 7.111 ( 0.664 5.430 -0.368) 5.483 7.156 ( -0.909 2.115 -1.575) 2.789 7.275 ( -1.582 1.717 3.696) 4.371 7.405 ( 0.826 -2.140 -3.627) 4.292 7.561 ( -0.308 -0.502 2.269) 2.344 7.626 ( 0.387 0.674 -3.899) 3.976 7.790 ( -2.692 12.624 2.315) 13.114 7.953 ( 1.503 -2.517 0.697) 3.014 8.204 ( -1.422 -5.011 5.811) 7.803 8.235 ( -1.676 -0.613 -0.852) 1.978 8.406 ( 4.234 -0.546 -9.385) 10.310 8.500 ( 0.697 -8.827 0.044) 8.854 8.788 ( 1.691 4.328 0.593) 4.685 8.904 ( -2.121 2.108 -2.688) 4.021 9.339 ( -2.315 -5.884 7.242) 9.614 9.572 ( 1.062 -7.287 -4.611) 8.688 9.766 ( -0.277 -10.370 2.829) 10.752 9.798 ( 0.265 -9.746 -0.548) 9.765 ======================= Grid point 146 (73/91) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.175 10.947 -1.553) 11.058 1.549 ( 3.113 12.835 7.159) 15.023 1.588 ( 6.102 13.222 4.421) 15.218 1.681 ( 4.443 10.706 -11.017) 15.992 1.783 ( 0.685 8.739 -1.177) 8.844 1.973 ( -1.186 8.222 -3.375) 8.967 2.054 ( -8.201 6.650 -1.399) 10.650 2.172 ( -2.651 3.003 -2.212) 4.575 2.336 ( -5.980 4.754 -2.463) 8.026 2.438 ( -0.912 7.258 -4.780) 8.738 2.495 ( 2.241 2.035 4.304) 5.262 2.565 ( 2.056 6.500 0.697) 6.853 2.774 ( 2.906 11.168 -0.731) 11.563 2.949 ( 1.815 9.054 3.873) 10.014 3.065 ( 2.317 8.081 1.903) 8.620 3.197 ( 0.642 10.164 -0.685) 10.207 3.306 ( 2.274 15.255 5.424) 16.350 3.511 ( 2.471 19.504 -3.875) 20.038 3.576 ( -3.176 3.331 2.587) 5.280 3.721 ( -3.395 4.770 -1.065) 5.951 3.774 ( -3.541 0.862 0.307) 3.657 3.867 ( 0.566 -8.849 -1.644) 9.018 4.026 ( 0.309 0.540 -1.502) 1.626 4.164 ( 2.807 -2.911 2.656) 4.838 5.034 ( -2.602 -1.692 -0.682) 3.178 5.092 ( -2.427 -1.225 0.617) 2.788 5.586 ( 0.814 2.368 -0.831) 2.639 5.726 ( -2.373 -0.819 -0.129) 2.513 5.906 ( -0.197 1.193 -0.182) 1.223 6.118 ( 3.003 2.108 0.717) 3.738 6.206 ( -2.716 1.307 -1.407) 3.327 6.269 ( 3.268 -1.589 0.324) 3.648 6.309 ( 1.260 -1.584 1.624) 2.595 6.480 ( -1.414 -1.603 -1.215) 2.459 6.491 ( -4.264 3.638 1.818) 5.893 6.601 ( -1.710 -0.810 -0.621) 1.992 6.683 ( -0.867 -1.289 -2.437) 2.890 6.734 ( 0.497 0.676 3.300) 3.404 6.788 ( 3.368 3.558 -0.575) 4.932 6.889 ( 0.499 8.705 -0.431) 8.730 6.989 ( -0.953 3.473 -1.954) 4.098 7.075 ( -1.151 4.772 1.343) 5.089 7.093 ( -2.426 2.686 1.042) 3.766 7.132 ( 1.076 3.138 -2.504) 4.156 7.311 ( 2.926 2.742 1.766) 4.382 7.430 ( 2.854 -0.414 -1.436) 3.221 7.566 ( -0.763 -0.129 2.373) 2.496 7.604 ( -0.221 1.469 -2.542) 2.944 7.761 ( -1.740 7.777 3.148) 8.569 8.000 ( 2.771 1.625 -0.407) 3.238 8.196 ( -2.371 -1.549 3.999) 4.900 8.234 ( 1.101 -6.274 0.758) 6.415 8.423 ( 3.462 0.593 -7.911) 8.656 8.508 ( 0.400 -9.853 -1.538) 9.981 8.747 ( -4.633 3.463 -2.164) 6.176 8.884 ( 0.022 2.427 2.260) 3.316 9.370 ( 0.447 -5.184 7.202) 8.885 9.559 ( 0.581 -7.511 -4.348) 8.698 9.768 ( -0.840 -10.306 1.578) 10.460 9.786 ( -1.110 -9.029 -0.843) 9.136 ======================= Grid point 147 (74/91) ======================= q-point: ( 0.40 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.363 12.393 -2.487) 12.645 1.608 ( 1.212 9.557 -5.147) 10.922 1.684 ( 3.808 10.176 5.334) 12.104 1.807 ( 6.607 10.641 1.818) 12.656 1.838 ( 4.483 9.695 -0.516) 10.694 1.898 ( -6.533 10.982 -0.960) 12.815 1.943 ( 1.976 4.237 1.747) 4.991 2.079 ( -2.834 4.209 -6.445) 8.203 2.223 ( -4.303 4.876 -3.362) 7.321 2.360 ( -2.780 4.282 -6.844) 8.538 2.546 ( 1.149 4.442 2.333) 5.147 2.615 ( 1.363 8.165 3.002) 8.806 2.811 ( 0.154 15.534 0.733) 15.552 2.973 ( -0.596 10.329 2.873) 10.738 3.126 ( 1.074 3.713 1.373) 4.101 3.183 ( -1.242 12.729 -1.858) 12.924 3.383 ( 2.566 8.039 2.796) 8.890 3.514 ( -2.561 12.266 8.998) 15.427 3.596 ( 4.099 7.249 -3.620) 9.080 3.667 ( -0.214 9.929 -2.827) 10.326 3.702 ( -3.145 0.378 -1.671) 3.581 3.860 ( 0.003 -6.614 -1.221) 6.726 4.009 ( -0.995 2.219 -1.449) 2.831 4.223 ( 1.252 -6.578 2.519) 7.154 4.988 ( -1.308 -0.536 -0.578) 1.527 5.057 ( -1.343 -2.018 0.839) 2.565 5.597 ( 0.891 3.118 -1.135) 3.436 5.675 ( -2.215 -0.033 -0.514) 2.274 5.905 ( 0.106 1.540 -0.234) 1.562 6.144 ( -0.958 1.292 0.554) 1.701 6.193 ( 2.119 -0.027 0.159) 2.126 6.281 ( -2.380 -0.671 -1.192) 2.745 6.345 ( 1.602 -0.637 1.130) 2.061 6.439 ( -1.755 1.017 -1.453) 2.495 6.468 ( 0.977 1.603 1.146) 2.199 6.567 ( -0.222 -0.689 -1.215) 1.415 6.682 ( 0.613 -1.791 0.151) 1.899 6.739 ( -1.899 2.998 3.847) 5.234 6.841 ( 2.273 3.882 -1.248) 4.669 6.869 ( -1.098 6.882 -2.500) 7.404 6.977 ( 0.568 2.498 -0.377) 2.590 7.032 ( -2.573 3.389 0.377) 4.272 7.084 ( -0.070 4.217 2.057) 4.693 7.137 ( 0.147 4.458 -1.300) 4.646 7.367 ( 1.274 1.909 0.693) 2.398 7.465 ( 1.612 1.418 -0.622) 2.235 7.567 ( -0.129 3.268 0.710) 3.347 7.595 ( 0.438 0.270 -0.733) 0.896 7.771 ( 0.989 2.842 1.356) 3.301 8.030 ( -0.110 5.365 1.079) 5.473 8.186 ( -0.972 -3.425 2.694) 4.465 8.265 ( 1.692 -7.417 0.593) 7.631 8.428 ( 1.973 1.756 -7.071) 7.548 8.487 ( -1.440 -12.789 -0.937) 12.904 8.663 ( -2.556 5.172 -0.115) 5.771 8.904 ( 0.959 0.954 0.968) 1.664 9.430 ( 0.057 -5.190 7.461) 9.088 9.543 ( 1.174 -7.154 -4.477) 8.521 9.748 ( -1.968 -8.676 -1.069) 8.960 9.765 ( -0.342 -8.988 0.737) 9.025 ======================= Grid point 148 (75/91) ======================= q-point: (-0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -1.266 14.390 0.261) 14.448 1.546 ( -5.170 10.724 0.053) 11.906 1.776 ( -3.167 10.325 -3.534) 11.363 1.791 ( 2.798 5.693 1.285) 6.472 1.884 ( 5.069 8.352 0.765) 9.800 1.922 ( 2.174 9.830 -5.366) 11.408 2.014 ( 5.673 8.151 -2.414) 10.220 2.031 ( -4.654 6.588 -3.938) 8.976 2.193 ( 6.721 4.404 -0.117) 8.037 2.302 ( 0.773 1.090 -3.012) 3.295 2.554 ( -1.662 5.261 1.343) 5.679 2.638 ( -0.396 7.615 0.885) 7.677 2.789 ( -3.325 18.368 3.695) 19.029 2.991 ( 1.269 10.134 0.736) 10.240 3.088 ( -5.959 5.949 3.707) 9.200 3.146 ( -2.502 13.655 1.612) 13.976 3.421 ( -0.995 8.586 -0.075) 8.644 3.512 ( -2.119 -6.518 6.077) 9.160 3.616 ( -1.254 13.962 0.025) 14.018 3.675 ( 4.276 2.209 -5.810) 7.545 3.710 ( 5.530 16.158 -2.399) 17.246 3.863 ( 0.806 -5.407 -1.469) 5.661 3.980 ( -1.642 0.974 1.202) 2.256 4.231 ( -1.939 -7.393 1.748) 7.841 4.985 ( 1.223 -0.162 -0.252) 1.259 5.067 ( 2.046 -2.540 -0.092) 3.263 5.589 ( -0.954 3.386 -0.561) 3.562 5.668 ( 1.559 0.187 0.275) 1.594 5.903 ( -0.196 1.473 -0.048) 1.487 6.144 ( 0.962 0.412 0.324) 1.095 6.208 ( -3.125 -0.650 -1.115) 3.381 6.241 ( 0.511 -0.292 2.521) 2.589 6.363 ( -0.305 -0.589 0.350) 0.750 6.417 ( 0.182 1.661 -0.176) 1.680 6.489 ( 1.359 1.609 -1.062) 2.359 6.564 ( -0.242 -0.969 -0.826) 1.296 6.687 ( 0.242 -0.777 -0.114) 0.822 6.755 ( 0.777 4.052 3.125) 5.176 6.839 ( -0.270 3.057 -3.112) 4.371 6.855 ( 0.654 6.294 0.057) 6.328 6.971 ( -0.968 2.217 0.513) 2.473 7.033 ( 1.326 5.268 0.763) 5.485 7.090 ( -0.499 5.196 0.108) 5.221 7.127 ( 0.042 2.841 -0.015) 2.841 7.355 ( -2.677 0.589 1.648) 3.198 7.485 ( 0.666 0.592 -1.598) 1.830 7.560 ( -1.092 4.840 0.545) 4.991 7.610 ( 2.025 -0.227 -2.061) 2.898 7.797 ( 1.374 2.365 -1.087) 2.944 8.006 ( -3.759 5.677 3.544) 7.675 8.190 ( -0.627 -4.815 2.751) 5.581 8.291 ( 0.950 -6.533 -1.060) 6.686 8.404 ( 0.517 0.274 -6.407) 6.434 8.474 ( 0.283 -10.984 0.569) 11.002 8.659 ( 1.653 5.903 0.735) 6.174 8.930 ( 1.896 0.251 -1.594) 2.490 9.425 ( -4.686 -6.298 5.608) 9.647 9.566 ( 3.381 -6.298 -4.223) 8.302 9.717 ( -0.852 -8.037 1.663) 8.252 9.771 ( 0.735 -9.255 0.008) 9.284 ======================= Grid point 149 (76/91) ======================= q-point: (-0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -0.996 15.814 2.810) 16.092 1.465 ( -4.935 13.150 6.596) 15.517 1.687 ( -3.517 9.360 -7.006) 12.209 1.804 ( -3.155 10.250 -6.993) 12.803 1.826 ( -0.161 6.709 -9.992) 12.037 1.960 ( 2.333 6.456 -2.054) 7.165 2.029 ( 7.574 7.875 1.810) 11.074 2.142 ( 5.500 4.321 0.210) 6.997 2.328 ( 7.483 3.412 -1.737) 8.405 2.345 ( 2.274 6.682 3.368) 7.820 2.522 ( -1.703 3.270 0.682) 3.750 2.604 ( -3.128 6.507 -1.486) 7.371 2.753 ( -2.434 14.497 2.581) 14.925 2.966 ( -5.888 7.537 2.191) 9.812 3.035 ( -1.015 14.776 2.709) 15.056 3.130 ( -0.153 10.929 3.433) 11.456 3.339 ( -7.302 6.046 4.990) 10.714 3.524 ( 1.344 5.843 -5.791) 8.335 3.612 ( 1.113 11.228 1.182) 11.345 3.736 ( 4.961 9.196 -4.200) 11.262 3.794 ( 3.565 5.175 -1.099) 6.379 3.853 ( -0.752 -8.335 -0.100) 8.369 3.978 ( -0.063 0.528 2.870) 2.918 4.182 ( -3.769 -4.991 0.805) 6.306 5.025 ( 2.764 -1.051 0.091) 2.958 5.110 ( 2.293 -2.041 -0.982) 3.223 5.575 ( -0.273 2.733 0.078) 2.748 5.713 ( 2.236 -0.406 1.213) 2.576 5.902 ( 0.183 1.134 0.198) 1.166 6.129 ( -3.987 0.941 -0.063) 4.097 6.188 ( 2.994 0.003 0.025) 2.994 6.248 ( -1.707 -1.223 2.087) 2.961 6.335 ( -2.287 -0.573 -0.568) 2.425 6.439 ( 1.413 -0.581 2.300) 2.761 6.519 ( 2.607 2.877 -0.698) 3.945 6.589 ( 3.007 0.260 -0.143) 3.021 6.677 ( -0.549 -2.096 -1.330) 2.542 6.760 ( -1.512 3.430 1.990) 4.244 6.807 ( -1.068 1.827 -3.761) 4.316 6.895 ( 1.879 8.286 -0.096) 8.497 6.957 ( -0.668 4.415 0.776) 4.532 7.042 ( -0.331 4.889 2.572) 5.535 7.096 ( 0.931 5.624 -0.400) 5.714 7.146 ( 2.213 0.663 -1.428) 2.716 7.310 ( -3.310 0.347 2.119) 3.946 7.449 ( -2.483 -0.837 -2.823) 3.852 7.553 ( -0.320 1.998 1.687) 2.635 7.631 ( 1.826 0.022 -3.771) 4.190 7.807 ( 0.507 9.157 -1.194) 9.248 7.957 ( -3.408 0.085 3.844) 5.138 8.195 ( -1.023 -5.097 3.940) 6.524 8.278 ( -1.822 -2.205 -0.719) 2.949 8.390 ( 3.356 -0.931 -8.541) 9.224 8.488 ( 0.165 -9.503 1.458) 9.616 8.721 ( 3.922 5.435 1.103) 6.792 8.941 ( 0.800 0.970 -3.834) 4.035 9.366 ( -4.997 -6.276 6.235) 10.160 9.580 ( 1.607 -6.615 -5.282) 8.616 9.740 ( 0.638 -9.510 3.927) 10.309 9.788 ( 1.016 -9.526 -0.372) 9.587 ======================= Grid point 150 (77/91) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -0.861 11.213 1.486) 11.344 1.726 ( 0.745 12.881 3.247) 13.305 1.794 ( -1.026 10.026 -1.993) 10.274 1.869 ( 1.482 6.481 -10.426) 12.365 1.963 ( 0.350 8.605 -2.415) 8.945 2.133 ( 1.573 5.523 -0.575) 5.771 2.221 ( 0.238 1.578 -2.379) 2.865 2.248 ( 0.840 2.912 -0.883) 3.157 2.452 ( -0.177 1.742 2.927) 3.411 2.492 ( 0.904 2.941 4.350) 5.328 2.589 ( 2.267 2.479 -0.663) 3.424 2.621 ( -1.487 4.664 -5.727) 7.535 2.916 ( 0.832 4.952 0.227) 5.026 2.958 ( -2.661 0.550 0.266) 2.731 3.157 ( -0.940 -2.577 5.675) 6.303 3.321 ( -2.455 3.673 4.180) 6.082 3.479 ( 4.493 4.402 0.325) 6.298 3.546 ( -2.812 -1.996 1.896) 3.935 3.661 ( -0.481 -0.385 -0.136) 0.631 3.821 ( 0.943 10.300 -6.039) 11.977 3.953 ( -3.380 4.341 3.165) 6.347 4.018 ( 5.453 12.256 -2.174) 13.590 4.142 ( -1.697 13.824 2.651) 14.177 4.195 ( -0.830 12.079 -1.063) 12.154 5.036 ( 0.012 -0.463 -0.161) 0.490 5.108 ( -0.105 -0.414 -0.457) 0.626 5.640 ( 0.353 3.963 0.032) 3.979 5.733 ( -0.048 -0.115 0.600) 0.613 5.946 ( -0.157 3.232 0.809) 3.335 6.125 ( 0.366 2.449 -0.143) 2.481 6.205 ( 0.165 -0.815 1.298) 1.542 6.254 ( 1.297 0.297 1.007) 1.668 6.297 ( -0.958 0.460 -0.657) 1.249 6.416 ( -0.549 -3.054 0.917) 3.236 6.546 ( -0.353 -0.607 1.238) 1.423 6.617 ( 0.244 0.609 -2.974) 3.045 6.694 ( 2.027 -1.198 2.084) 3.144 6.767 ( -3.410 1.651 -1.864) 4.223 6.803 ( 0.550 2.530 -1.556) 3.021 7.008 ( -0.056 3.240 0.473) 3.275 7.055 ( -0.375 2.706 2.996) 4.055 7.117 ( 0.958 1.484 -0.571) 1.856 7.209 ( -2.239 3.821 2.175) 4.934 7.227 ( -3.517 2.456 1.059) 4.419 7.282 ( 5.221 0.705 0.302) 5.277 7.360 ( 2.501 -2.069 -5.779) 6.628 7.516 ( -2.139 -1.103 1.344) 2.756 7.689 ( 1.331 3.445 -4.168) 5.569 7.821 ( -0.849 -8.372 1.031) 8.478 7.988 ( -0.383 3.771 1.719) 4.162 8.127 ( -0.593 -2.419 2.738) 3.702 8.209 ( -0.867 -1.829 -0.579) 2.106 8.327 ( -0.267 -4.301 1.391) 4.528 8.462 ( 3.760 2.786 -7.111) 8.513 8.868 ( 0.397 3.602 -0.467) 3.653 8.952 ( -1.427 2.940 -0.294) 3.281 9.226 ( -1.171 -5.545 5.784) 8.098 9.438 ( 0.238 -6.292 -3.590) 7.248 9.575 ( -0.083 -8.766 1.283) 8.860 9.634 ( 0.219 -7.169 0.100) 7.173 ======================= Grid point 151 (78/91) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -0.046 10.706 0.115) 10.707 1.792 ( 2.171 11.289 2.959) 11.871 1.813 ( 2.558 8.795 0.551) 9.176 1.851 ( 4.965 7.223 -6.816) 11.103 1.955 ( 0.211 8.569 -1.519) 8.705 2.097 ( -3.753 5.003 -2.646) 6.791 2.180 ( -2.733 5.515 -0.910) 6.222 2.221 ( -1.655 2.607 -2.269) 3.832 2.432 ( -7.824 4.463 -2.371) 9.315 2.504 ( 2.879 1.088 0.434) 3.109 2.544 ( 0.231 2.091 -1.842) 2.796 2.657 ( 1.626 3.077 1.049) 3.635 2.952 ( 5.011 5.486 0.428) 7.442 3.045 ( 6.169 1.471 3.226) 7.115 3.171 ( -0.640 -1.103 3.247) 3.488 3.311 ( -2.198 -0.606 5.825) 6.255 3.459 ( -4.053 -4.148 -3.481) 6.764 3.534 ( 0.321 6.638 0.406) 6.658 3.674 ( 0.958 -0.647 1.948) 2.265 3.771 ( -2.634 11.477 -4.061) 12.456 3.908 ( -2.777 5.101 1.726) 6.058 4.071 ( 1.710 9.570 -3.655) 10.386 4.165 ( 2.250 16.816 3.156) 17.257 4.184 ( -0.142 10.487 0.366) 10.494 5.017 ( -1.710 -0.064 -0.047) 1.712 5.080 ( -2.358 -0.113 0.057) 2.361 5.653 ( 1.196 4.167 -0.703) 4.392 5.723 ( -1.347 0.397 0.152) 1.413 5.949 ( 0.078 3.330 0.362) 3.351 6.158 ( 2.293 2.098 -0.162) 3.112 6.213 ( 0.100 -0.704 -1.185) 1.382 6.263 ( 0.543 1.092 -0.701) 1.407 6.285 ( -0.383 -0.454 1.880) 1.972 6.420 ( 0.644 -3.515 0.122) 3.575 6.532 ( -3.866 0.579 2.373) 4.573 6.588 ( 0.679 0.219 -2.772) 2.863 6.657 ( -3.804 -1.251 -2.173) 4.556 6.752 ( 0.294 0.956 4.040) 4.162 6.847 ( 3.522 1.989 -0.459) 4.071 7.025 ( 0.941 2.773 -0.319) 2.945 7.044 ( -2.485 3.756 1.929) 4.899 7.123 ( -4.405 -0.461 3.029) 5.366 7.129 ( -0.181 2.224 0.137) 2.235 7.215 ( -0.049 3.463 -1.694) 3.856 7.362 ( 4.709 2.452 -1.751) 5.590 7.421 ( 5.522 -0.464 -4.696) 7.264 7.518 ( 0.488 -1.181 3.546) 3.769 7.678 ( -0.326 3.209 -2.274) 3.947 7.799 ( -0.968 -3.483 0.065) 3.615 8.028 ( 2.401 -1.022 2.827) 3.847 8.130 ( -0.291 -3.613 0.809) 3.713 8.181 ( -1.528 -0.257 -0.293) 1.577 8.317 ( -1.983 -5.178 1.014) 5.637 8.475 ( 2.525 2.307 -7.395) 8.148 8.819 ( -3.970 3.718 0.018) 5.439 8.940 ( -0.790 3.317 1.547) 3.744 9.265 ( 1.374 -5.553 4.906) 7.536 9.419 ( -0.179 -6.630 -2.641) 7.139 9.578 ( -0.176 -8.443 0.649) 8.470 9.637 ( 0.108 -6.563 -0.354) 6.574 ======================= Grid point 152 (79/91) ======================= q-point: ( 0.40 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.885 11.153 -1.211) 11.253 1.787 ( -0.738 7.365 -4.412) 8.617 1.852 ( 2.242 6.794 1.105) 7.239 1.957 ( 1.020 6.376 -1.036) 6.540 2.014 ( 1.754 4.410 1.111) 4.875 2.027 ( 5.932 8.233 2.137) 10.370 2.117 ( -3.263 10.202 0.868) 10.746 2.183 ( 0.567 6.075 -4.592) 7.636 2.310 ( -3.384 3.688 -3.062) 5.868 2.413 ( -6.434 1.067 -9.148) 11.235 2.583 ( 1.895 0.496 1.584) 2.519 2.719 ( 1.899 2.788 3.699) 5.006 3.049 ( 2.867 5.850 0.980) 6.588 3.131 ( 0.022 4.013 3.846) 5.559 3.194 ( 1.186 0.295 3.838) 4.028 3.315 ( -2.047 0.779 7.082) 7.413 3.384 ( -1.280 -7.406 -2.185) 7.827 3.518 ( 0.291 -0.260 -5.948) 5.961 3.668 ( -1.945 11.421 -4.904) 12.581 3.736 ( 0.456 2.982 5.411) 6.196 3.879 ( -1.044 5.077 0.632) 5.221 4.061 ( -0.655 7.028 -1.511) 7.219 4.188 ( 0.208 13.374 0.335) 13.380 4.221 ( 1.730 16.662 0.898) 16.776 4.992 ( -0.604 0.911 0.116) 1.099 5.041 ( -1.472 0.100 0.165) 1.485 5.670 ( 1.021 4.051 -1.172) 4.339 5.694 ( -1.381 1.791 0.063) 2.263 5.951 ( -0.020 3.301 0.039) 3.301 6.172 ( -1.048 1.506 0.756) 1.984 6.194 ( -0.056 0.563 -0.946) 1.102 6.257 ( -1.010 -1.210 -1.662) 2.291 6.336 ( 3.293 -0.632 1.726) 3.771 6.437 ( 0.962 -1.492 -0.731) 1.920 6.469 ( -2.844 -0.692 1.611) 3.341 6.553 ( -1.754 0.399 -1.923) 2.633 6.644 ( 1.876 -1.535 -0.946) 2.602 6.784 ( 0.168 1.069 4.785) 4.906 6.882 ( 0.285 0.086 -1.708) 1.733 6.984 ( -1.838 4.168 0.500) 4.583 7.045 ( -1.448 3.518 2.082) 4.337 7.105 ( 1.429 3.724 -0.854) 4.079 7.121 ( -0.540 0.545 1.832) 1.986 7.206 ( -0.545 2.176 -0.233) 2.255 7.421 ( 1.091 3.818 -1.194) 4.146 7.461 ( 1.211 -3.164 -1.928) 3.898 7.555 ( 2.320 0.580 0.027) 2.391 7.666 ( 0.270 2.314 -0.483) 2.380 7.800 ( 1.044 1.106 -1.373) 2.049 8.091 ( 0.796 -3.498 4.601) 5.834 8.121 ( 0.432 -6.902 -0.858) 6.969 8.175 ( 1.475 3.322 -0.820) 3.726 8.254 ( -4.643 -7.746 -0.652) 9.055 8.467 ( 0.952 1.855 -4.604) 5.054 8.768 ( -1.379 5.359 0.628) 5.569 8.935 ( -0.333 2.178 0.887) 2.376 9.318 ( -0.257 -6.144 5.538) 8.276 9.402 ( 1.017 -7.144 -3.285) 7.928 9.580 ( -0.007 -7.226 0.523) 7.245 9.630 ( -0.526 -5.647 -0.651) 5.709 ======================= Grid point 153 (80/91) ======================= q-point: (-0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.869 12.367 -1.568) 12.497 1.740 ( -2.398 8.327 -0.266) 8.670 1.886 ( 1.109 4.275 -1.491) 4.661 1.956 ( -1.126 7.524 -2.008) 7.869 2.002 ( 2.234 5.085 -0.167) 5.557 2.103 ( 2.039 9.367 1.677) 9.732 2.173 ( -7.506 6.272 -8.373) 12.876 2.187 ( 4.052 8.668 -3.521) 10.196 2.274 ( 9.578 2.971 3.347) 10.572 2.301 ( 0.951 -0.062 -2.876) 3.030 2.589 ( -2.164 -0.066 0.914) 2.350 2.743 ( -1.139 3.153 1.234) 3.572 3.045 ( -3.229 4.504 1.973) 5.883 3.136 ( -1.844 1.375 2.678) 3.530 3.218 ( -3.689 8.028 3.545) 9.519 3.293 ( -1.307 -1.578 5.100) 5.496 3.389 ( -0.768 -1.907 0.864) 2.230 3.494 ( 2.646 -6.945 -4.898) 8.901 3.638 ( 1.427 10.569 -1.235) 10.736 3.791 ( 2.908 6.249 -0.390) 6.904 3.880 ( 0.957 3.961 0.319) 4.087 4.033 ( -2.159 4.814 1.039) 5.377 4.187 ( -0.655 14.321 0.160) 14.337 4.238 ( 0.123 17.166 -0.490) 17.173 4.995 ( 0.802 1.128 -0.163) 1.394 5.044 ( 1.861 -0.081 -0.150) 1.869 5.657 ( -1.226 3.445 0.057) 3.657 5.698 ( 1.221 2.568 -0.323) 2.862 5.949 ( -0.326 3.233 0.262) 3.260 6.160 ( -0.624 1.265 1.446) 2.020 6.191 ( -0.600 -0.217 0.202) 0.669 6.233 ( -0.568 -0.559 0.075) 0.801 6.349 ( -2.445 -1.066 0.809) 2.787 6.435 ( 0.044 0.380 -0.732) 0.826 6.487 ( 3.188 -1.662 0.051) 3.596 6.536 ( 0.671 -0.304 -0.618) 0.962 6.662 ( 0.975 -1.214 -2.612) 3.041 6.822 ( 0.650 1.925 4.095) 4.572 6.857 ( -0.774 -0.689 -2.558) 2.759 6.974 ( 0.265 4.466 1.381) 4.682 7.040 ( -0.973 4.849 2.949) 5.758 7.123 ( 1.474 2.212 -0.896) 2.805 7.139 ( 1.211 0.901 -1.084) 1.858 7.191 ( -1.044 3.491 0.684) 3.707 7.374 ( -4.929 1.683 2.207) 5.657 7.454 ( -1.241 -3.482 -0.668) 3.756 7.599 ( 2.098 0.747 -3.075) 3.797 7.670 ( 0.839 3.478 -1.545) 3.897 7.799 ( -0.077 -0.776 -1.289) 1.506 8.098 ( -0.250 -4.692 2.190) 5.184 8.129 ( -6.507 2.772 2.006) 7.351 8.168 ( 3.175 -5.463 -0.862) 6.378 8.247 ( 4.083 -6.133 -0.982) 7.433 8.453 ( 0.114 1.935 -3.054) 3.618 8.776 ( 1.852 5.875 -0.046) 6.160 8.946 ( 1.294 1.419 -0.264) 1.938 9.298 ( -4.676 -6.558 5.014) 9.487 9.431 ( 3.410 -7.379 -3.518) 8.858 9.576 ( -1.047 -6.206 0.875) 6.354 9.621 ( 0.140 -5.942 0.043) 5.943 ======================= Grid point 154 (81/91) ======================= q-point: (-0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.197 12.315 -0.687) 12.336 1.712 ( -1.384 11.520 3.246) 12.048 1.857 ( -1.864 7.404 -4.143) 8.687 1.933 ( -1.732 5.159 -4.155) 6.847 1.985 ( -2.101 7.772 -7.234) 10.824 2.071 ( 3.965 5.252 -0.523) 6.601 2.181 ( 4.798 6.167 1.054) 7.885 2.222 ( 1.862 4.271 -4.388) 6.400 2.383 ( 6.764 2.439 2.960) 7.775 2.445 ( 4.426 3.221 2.923) 6.206 2.537 ( -1.948 -0.124 0.041) 1.953 2.701 ( -2.810 3.373 -1.483) 4.633 2.965 ( -5.175 6.208 -0.926) 8.135 3.078 ( -7.319 3.208 -0.457) 8.004 3.143 ( -2.828 -4.824 7.098) 9.035 3.349 ( -2.433 8.807 2.944) 9.600 3.375 ( 4.315 -0.183 2.759) 5.125 3.539 ( 1.932 -6.371 1.022) 6.736 3.669 ( 1.617 6.483 -2.017) 6.979 3.821 ( 2.351 8.057 -4.821) 9.679 3.925 ( 3.728 3.114 -0.008) 4.858 3.999 ( -2.850 8.889 3.132) 9.846 4.167 ( -1.848 12.570 1.039) 12.747 4.222 ( -0.928 16.120 -1.602) 16.226 5.019 ( 1.666 0.347 -0.251) 1.720 5.087 ( 2.416 -0.450 -0.589) 2.527 5.641 ( -0.603 3.876 0.338) 3.937 5.720 ( 0.975 0.968 0.491) 1.459 5.945 ( -0.324 3.346 0.704) 3.434 6.147 ( -2.191 1.241 1.099) 2.748 6.190 ( 0.605 0.177 0.953) 1.143 6.234 ( -0.220 -0.282 1.590) 1.629 6.311 ( -0.921 -1.608 -0.304) 1.878 6.426 ( -0.606 -0.332 -0.308) 0.756 6.541 ( 1.051 0.569 0.579) 1.328 6.576 ( 3.852 -1.255 0.277) 4.061 6.656 ( 1.394 -0.614 -3.264) 3.602 6.823 ( -1.608 2.007 -0.893) 2.722 6.832 ( -1.342 0.869 -0.752) 1.767 7.008 ( 0.845 1.733 1.281) 2.315 7.037 ( -0.829 5.796 3.438) 6.790 7.124 ( -1.135 -0.104 0.420) 1.215 7.181 ( 2.094 4.364 0.189) 4.844 7.186 ( 3.832 3.573 -2.613) 5.855 7.306 ( -4.504 -0.087 3.493) 5.701 7.403 ( -3.082 -3.468 -1.950) 5.033 7.568 ( -3.054 0.778 -0.852) 3.264 7.683 ( 2.129 3.578 -4.031) 5.796 7.806 ( 1.485 -6.618 -0.368) 6.793 8.030 ( -4.977 3.188 1.978) 6.233 8.116 ( -0.076 -2.837 2.852) 4.024 8.209 ( 1.911 -3.685 -1.908) 4.569 8.307 ( 1.802 -4.361 1.216) 4.873 8.443 ( 1.778 2.631 -4.425) 5.447 8.826 ( 3.301 5.058 -0.368) 6.051 8.967 ( 0.984 1.754 -1.442) 2.475 9.242 ( -4.379 -6.214 5.691) 9.497 9.451 ( 1.388 -6.498 -4.494) 8.021 9.567 ( -0.489 -7.708 1.874) 7.948 9.628 ( 0.245 -6.730 0.380) 6.745 ======================= Grid point 155 (82/91) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -0.690 7.114 0.235) 7.151 1.902 ( 1.830 3.806 -3.106) 5.242 1.965 ( -0.346 7.809 -0.364) 7.825 1.987 ( -0.263 6.731 -2.679) 7.250 2.115 ( 0.463 6.420 -1.907) 6.713 2.168 ( 1.327 -0.816 -1.583) 2.221 2.264 ( 0.467 2.401 -0.770) 2.565 2.298 ( -0.240 1.815 -1.218) 2.199 2.508 ( 1.154 2.010 4.633) 5.181 2.539 ( 0.039 4.758 1.383) 4.955 2.610 ( 4.193 0.058 -0.410) 4.213 2.671 ( -3.479 0.592 -4.867) 6.012 2.920 ( 0.799 -3.612 1.702) 4.073 2.951 ( -3.259 -1.264 0.006) 3.495 3.054 ( -0.408 -6.403 5.990) 8.778 3.163 ( -0.698 -12.310 -2.410) 12.563 3.572 ( 1.818 5.727 3.090) 6.756 3.603 ( -1.675 3.705 0.971) 4.180 3.763 ( -0.784 7.300 0.568) 7.364 3.947 ( -0.339 0.028 1.984) 2.013 4.060 ( 1.116 10.511 -4.236) 11.387 4.177 ( 1.486 4.958 -2.403) 5.707 4.448 ( -0.329 15.519 3.823) 15.987 4.499 ( -1.268 13.813 -1.189) 13.922 5.041 ( -0.170 0.802 -0.116) 0.828 5.101 ( 0.010 -0.451 -0.278) 0.530 5.715 ( 0.280 3.110 0.519) 3.166 5.740 ( -0.029 0.804 -0.162) 0.821 6.032 ( -0.270 5.289 1.418) 5.482 6.158 ( 0.419 0.499 -0.587) 0.877 6.214 ( -0.464 1.480 2.183) 2.678 6.268 ( 0.773 1.244 2.052) 2.521 6.281 ( 1.440 -1.274 -1.597) 2.500 6.384 ( -1.735 -0.814 -1.290) 2.311 6.564 ( -1.096 2.055 1.317) 2.676 6.627 ( 1.133 0.388 -3.509) 3.708 6.650 ( 1.247 -2.007 2.140) 3.188 6.793 ( -1.962 0.697 -1.577) 2.612 6.836 ( 0.126 0.737 -0.293) 0.803 7.030 ( 0.080 -2.410 0.492) 2.461 7.083 ( -1.758 -1.666 4.161) 4.815 7.105 ( -0.995 -0.284 2.750) 2.938 7.194 ( -1.066 0.524 -2.069) 2.386 7.290 ( -1.923 1.767 2.138) 3.375 7.313 ( 0.792 0.669 -1.544) 1.860 7.365 ( 7.291 2.946 -4.282) 8.953 7.524 ( -1.879 0.919 0.160) 2.098 7.650 ( 0.612 -8.062 0.897) 8.135 7.744 ( 0.202 2.093 -3.066) 3.718 7.942 ( -0.744 -5.838 -0.032) 5.885 8.091 ( -1.065 -1.000 1.495) 2.091 8.162 ( 0.657 -2.911 -2.098) 3.648 8.361 ( -0.269 5.256 1.529) 5.480 8.506 ( 2.079 1.297 -3.285) 4.099 8.925 ( -0.699 2.388 -0.295) 2.506 9.019 ( -0.503 3.603 0.670) 3.700 9.128 ( -0.162 -4.155 3.334) 5.330 9.326 ( -0.231 -5.332 -1.857) 5.651 9.440 ( -0.142 -4.559 0.621) 4.603 9.515 ( 0.194 -5.066 0.082) 5.071 ======================= Grid point 156 (83/91) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.132 7.130 -0.322) 7.139 1.899 ( -0.198 1.649 -2.930) 3.368 1.967 ( 0.307 6.250 -1.032) 6.342 2.006 ( 3.552 7.854 1.088) 8.688 2.102 ( -0.577 6.193 -1.544) 6.408 2.157 ( -0.708 1.539 -2.898) 3.357 2.246 ( -0.591 1.707 -0.265) 1.826 2.305 ( 1.030 4.008 -0.959) 4.248 2.486 ( -6.357 2.128 -0.806) 6.752 2.541 ( -1.545 0.382 -3.227) 3.598 2.577 ( 1.232 4.248 -1.597) 4.703 2.690 ( 1.836 0.637 2.574) 3.225 2.954 ( 4.504 -4.402 1.911) 6.581 3.023 ( 4.800 -3.365 3.554) 6.856 3.075 ( -1.097 -7.072 4.832) 8.635 3.122 ( -1.287 -10.776 -1.691) 10.983 3.545 ( -3.656 6.126 -0.440) 7.148 3.604 ( -0.926 3.049 0.615) 3.245 3.771 ( 0.817 7.219 2.572) 7.707 3.946 ( -1.037 0.843 1.384) 1.924 4.013 ( -2.313 11.183 -4.125) 12.142 4.156 ( -1.761 3.432 -2.391) 4.538 4.497 ( 1.901 14.949 -0.593) 15.081 4.498 ( 1.975 14.672 3.414) 15.193 5.028 ( -0.987 1.125 0.252) 1.518 5.082 ( -1.684 0.086 -0.069) 1.688 5.729 ( 0.976 2.905 -0.048) 3.065 5.738 ( -0.091 1.293 -0.410) 1.360 6.035 ( -0.281 5.186 0.826) 5.259 6.179 ( 2.041 -0.736 -1.001) 2.389 6.213 ( -0.844 1.343 1.435) 2.139 6.273 ( -0.020 0.612 -1.478) 1.600 6.301 ( 0.983 0.838 -1.722) 2.152 6.369 ( 0.219 -1.697 2.529) 3.054 6.534 ( -4.423 0.502 1.866) 4.826 6.601 ( 0.687 -0.009 -2.437) 2.532 6.651 ( -1.693 1.626 -2.246) 3.249 6.761 ( -1.179 -0.031 2.715) 2.960 6.858 ( 1.398 -0.927 0.188) 1.688 7.019 ( -2.220 -4.581 1.997) 5.469 7.084 ( -0.423 0.547 4.286) 4.341 7.096 ( -0.868 0.026 0.250) 0.903 7.183 ( 0.984 2.373 -0.683) 2.658 7.254 ( -1.671 1.619 0.601) 2.403 7.360 ( 2.429 -1.469 -1.737) 3.328 7.467 ( 7.009 4.295 -7.484) 11.117 7.532 ( 2.529 1.197 2.171) 3.542 7.668 ( -0.492 -4.953 1.486) 5.194 7.739 ( 2.775 -0.279 -3.068) 4.146 7.947 ( 0.673 -6.306 1.231) 6.460 8.062 ( -2.850 -1.769 1.112) 3.534 8.141 ( -1.519 -2.851 -1.693) 3.647 8.355 ( -1.318 5.375 1.236) 5.671 8.508 ( 0.523 0.729 -3.780) 3.885 8.890 ( -2.433 3.529 1.027) 4.408 9.012 ( -1.234 4.007 0.762) 4.262 9.154 ( 1.296 -5.638 2.018) 6.127 9.302 ( -1.475 -5.551 -0.701) 5.786 9.453 ( 1.025 -3.991 0.597) 4.164 9.528 ( 1.016 -4.673 -0.308) 4.792 ======================= Grid point 157 (84/91) ======================= q-point: ( 0.40 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 1.285 6.479 -1.274) 6.727 1.866 ( -1.095 1.656 -2.422) 3.131 1.965 ( 0.293 5.096 -1.222) 5.249 2.083 ( -0.204 6.070 0.206) 6.077 2.104 ( 2.356 4.734 1.133) 5.408 2.142 ( 3.768 3.626 -1.421) 5.419 2.261 ( 1.910 2.186 0.823) 3.017 2.314 ( 0.752 6.349 -1.358) 6.536 2.360 ( -4.899 2.901 -3.268) 6.564 2.424 ( -6.110 1.077 -6.570) 9.037 2.604 ( 1.028 2.340 0.286) 2.572 2.754 ( 1.911 1.619 3.861) 4.602 3.002 ( -3.385 -7.713 3.897) 9.281 3.072 ( 0.153 -8.358 0.245) 8.363 3.121 ( 4.771 -7.048 3.759) 9.304 3.170 ( 4.379 -6.208 0.751) 7.634 3.472 ( -4.818 6.876 2.254) 8.693 3.544 ( -3.354 2.720 -2.491) 4.986 3.837 ( 4.014 6.981 2.168) 8.339 3.917 ( -2.067 9.461 -0.886) 9.725 3.968 ( 0.046 5.539 -2.041) 5.904 4.098 ( -2.809 1.991 -1.411) 3.722 4.528 ( 1.152 15.175 0.137) 15.219 4.548 ( 1.178 14.345 1.690) 14.492 5.018 ( -0.133 1.603 0.359) 1.648 5.052 ( -1.145 0.797 0.024) 1.395 5.729 ( -0.608 2.004 0.082) 2.096 5.746 ( 0.930 2.882 -0.863) 3.149 6.030 ( -0.560 4.457 0.221) 4.497 6.198 ( 0.237 -0.676 -0.520) 0.885 6.204 ( -0.933 1.665 1.004) 2.157 6.256 ( -0.119 1.217 -2.560) 2.837 6.320 ( 1.264 -0.580 0.984) 1.704 6.400 ( 0.925 -2.290 1.654) 2.972 6.456 ( -3.180 0.264 0.622) 3.251 6.597 ( -1.217 3.728 -2.844) 4.844 6.622 ( 1.498 -0.767 -1.011) 1.963 6.774 ( 0.364 -1.638 3.252) 3.659 6.858 ( -0.981 -2.106 -0.610) 2.402 7.015 ( -0.040 -3.993 3.555) 5.346 7.073 ( -1.315 2.165 0.561) 2.594 7.116 ( 0.763 0.736 2.250) 2.487 7.203 ( 1.429 2.835 -0.224) 3.183 7.233 ( -1.100 2.622 -0.170) 2.848 7.363 ( -0.080 -4.366 -1.951) 4.783 7.521 ( 0.298 4.310 -1.041) 4.444 7.594 ( 2.394 2.639 -1.023) 3.707 7.652 ( 1.037 -2.066 -1.615) 2.820 7.820 ( 5.399 -0.778 -2.240) 5.897 7.966 ( -0.366 -8.023 1.328) 8.140 8.014 ( -0.940 -2.769 -0.474) 2.963 8.098 ( -1.737 -3.411 -1.188) 4.008 8.330 ( -2.015 6.023 1.456) 6.516 8.489 ( -0.174 0.280 -2.165) 2.190 8.870 ( -0.280 5.006 0.800) 5.077 8.988 ( -1.319 3.205 0.554) 3.510 9.193 ( 0.586 -6.439 2.302) 6.864 9.270 ( -0.637 -6.228 -1.148) 6.365 9.478 ( 0.825 -3.181 0.948) 3.420 9.537 ( 0.196 -3.867 -0.584) 3.916 ======================= Grid point 158 (85/91) ======================= q-point: (-0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.875 5.814 -2.440) 6.366 1.850 ( 1.429 3.453 -1.116) 3.900 1.965 ( 0.650 4.597 -1.243) 4.806 2.088 ( 0.526 6.089 -0.479) 6.130 2.104 ( 0.330 5.142 -1.214) 5.294 2.217 ( -3.799 -2.000 -5.033) 6.615 2.269 ( -1.180 4.159 0.079) 4.324 2.283 ( 1.617 3.592 0.120) 3.941 2.332 ( 2.271 3.959 0.241) 4.570 2.364 ( 5.408 5.478 -1.091) 7.775 2.600 ( -1.887 1.980 0.774) 2.842 2.784 ( -0.502 1.841 0.888) 2.104 2.975 ( -2.128 -7.687 6.147) 10.070 3.066 ( -1.547 -6.831 0.653) 7.035 3.169 ( -1.918 -8.971 -0.878) 9.216 3.201 ( -1.228 -7.224 -2.932) 7.892 3.447 ( 0.645 6.288 7.171) 9.559 3.506 ( 0.483 4.420 0.386) 4.463 3.876 ( -0.280 10.231 -5.158) 11.461 3.908 ( 1.086 5.679 1.880) 6.080 3.976 ( 2.198 6.104 -2.177) 6.843 4.071 ( 1.064 2.641 1.506) 3.221 4.521 ( -2.175 15.310 0.740) 15.482 4.566 ( -0.027 13.938 0.038) 13.938 5.023 ( 0.390 1.554 -0.052) 1.603 5.053 ( 1.327 0.691 -0.092) 1.499 5.719 ( -0.681 2.682 0.622) 2.836 5.750 ( 0.108 2.324 -0.816) 2.466 6.023 ( -0.332 4.104 0.751) 4.186 6.185 ( -1.103 0.362 0.665) 1.337 6.202 ( -0.562 1.710 2.054) 2.731 6.241 ( 0.055 1.617 -1.891) 2.488 6.316 ( -2.462 -1.897 1.036) 3.276 6.428 ( 1.526 -2.194 -0.069) 2.673 6.454 ( 2.177 0.308 0.537) 2.263 6.577 ( 0.511 3.813 -1.168) 4.020 6.637 ( 1.167 -1.498 -2.465) 3.111 6.806 ( 0.895 -2.215 1.300) 2.720 6.843 ( 0.427 -1.055 -0.392) 1.204 7.032 ( -0.673 -4.620 2.412) 5.254 7.059 ( -0.710 2.290 1.693) 2.935 7.136 ( -0.147 1.659 1.426) 2.193 7.209 ( -0.763 2.861 -1.132) 3.170 7.235 ( 2.392 2.914 -1.005) 3.902 7.345 ( -1.136 -3.883 -0.347) 4.060 7.466 ( -5.548 4.550 2.269) 7.526 7.583 ( -1.542 -3.274 0.623) 3.672 7.710 ( 5.229 2.270 -6.095) 8.345 7.787 ( -6.810 -2.195 0.770) 7.197 8.011 ( 0.160 -4.529 -0.819) 4.605 8.015 ( 4.429 -5.283 -2.684) 7.398 8.091 ( 2.262 -2.712 -0.348) 3.548 8.320 ( -0.104 6.064 2.375) 6.514 8.478 ( 0.056 0.438 -1.025) 1.116 8.884 ( 1.475 5.039 -0.567) 5.281 8.986 ( 0.882 2.767 0.712) 2.990 9.174 ( -3.717 -5.907 3.130) 7.649 9.289 ( 2.946 -6.916 -1.973) 7.772 9.483 ( -1.033 -3.113 0.598) 3.334 9.530 ( -0.485 -3.626 -0.088) 3.659 ======================= Grid point 159 (86/91) ======================= q-point: (-0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.108 6.228 -1.073) 6.320 1.880 ( 2.193 4.848 -1.844) 5.631 1.970 ( 0.643 5.147 -1.481) 5.394 2.049 ( -3.974 6.552 -2.579) 8.085 2.113 ( 0.866 5.416 -1.778) 5.766 2.142 ( 1.763 1.562 -2.873) 3.715 2.253 ( 0.522 2.417 -0.801) 2.599 2.308 ( 0.472 2.234 -1.290) 2.623 2.422 ( 4.667 2.176 4.360) 6.748 2.491 ( 6.098 1.704 1.702) 6.557 2.562 ( -1.787 3.744 0.267) 4.157 2.751 ( -2.142 2.080 -2.398) 3.829 2.977 ( -6.688 -6.372 1.717) 9.396 2.999 ( -0.878 -5.188 4.957) 7.229 3.080 ( -6.040 -2.759 -0.318) 6.648 3.172 ( 1.566 -12.715 -4.410) 13.549 3.516 ( 1.577 6.252 4.297) 7.748 3.566 ( 2.771 4.158 5.519) 7.445 3.811 ( -2.597 6.725 -4.597) 8.550 3.934 ( 0.498 0.903 1.878) 2.143 4.023 ( 4.421 10.404 -3.240) 11.759 4.133 ( 3.631 5.234 0.254) 6.376 4.472 ( -3.409 15.404 1.698) 15.867 4.542 ( -2.040 13.527 -0.883) 13.708 5.034 ( 0.833 1.112 -0.290) 1.419 5.084 ( 1.759 -0.086 -0.317) 1.789 5.713 ( -0.480 2.990 0.906) 3.161 5.744 ( -0.213 1.366 -0.390) 1.436 6.027 ( -0.179 4.705 1.507) 4.944 6.169 ( -1.100 0.327 0.366) 1.204 6.207 ( -0.426 1.988 2.322) 3.086 6.241 ( 0.508 1.067 0.801) 1.428 6.281 ( -0.899 -1.101 -0.184) 1.433 6.422 ( -0.826 -0.526 -1.967) 2.198 6.538 ( 4.585 -1.623 1.579) 5.113 6.586 ( 0.441 3.395 0.183) 3.428 6.641 ( 1.306 -1.010 -2.790) 3.241 6.814 ( 0.724 -1.145 -2.316) 2.683 6.853 ( -0.885 -0.028 0.903) 1.264 7.027 ( -0.306 -2.895 0.645) 2.982 7.072 ( 0.207 -1.922 2.761) 3.370 7.120 ( -2.717 2.120 3.424) 4.858 7.203 ( 2.026 1.572 -4.913) 5.542 7.279 ( 3.513 3.087 -1.752) 4.994 7.313 ( -3.281 -0.202 3.856) 5.067 7.377 ( -4.756 2.221 0.368) 5.262 7.561 ( -1.260 -2.509 -0.581) 2.867 7.670 ( -4.411 -5.710 1.278) 7.328 7.749 ( 2.059 2.799 -4.446) 5.643 7.972 ( -1.787 -5.878 -1.426) 6.307 8.079 ( 1.793 -1.029 0.537) 2.136 8.141 ( 3.052 -3.234 -2.162) 4.945 8.345 ( 0.681 5.265 2.214) 5.752 8.484 ( 1.570 1.156 -1.550) 2.490 8.911 ( 2.000 3.567 -1.185) 4.258 9.016 ( 1.188 3.441 0.328) 3.655 9.129 ( -2.935 -5.261 3.905) 7.179 9.325 ( 1.977 -6.414 -2.267) 7.084 9.455 ( -1.786 -3.579 0.451) 4.025 9.520 ( -0.726 -4.461 0.350) 4.533 ======================= Grid point 160 (87/91) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.213 2.060 -1.319) 2.456 1.926 ( 0.464 -0.357 -2.080) 2.161 2.064 ( 0.139 3.543 -0.431) 3.572 2.102 ( 0.238 0.770 -1.345) 1.567 2.183 ( 0.019 5.131 -0.765) 5.188 2.217 ( 0.621 3.894 -1.045) 4.080 2.272 ( -0.180 -1.584 -0.737) 1.756 2.291 ( 1.064 -3.088 -1.177) 3.471 2.546 ( 1.643 2.318 2.116) 3.543 2.592 ( 3.168 -2.201 -0.246) 3.865 2.660 ( -2.485 6.265 1.190) 6.844 2.716 ( -1.348 6.197 -2.116) 6.686 2.802 ( -1.513 -7.353 1.436) 7.643 2.882 ( -0.523 -8.908 2.549) 9.280 2.955 ( -0.554 0.006 -0.176) 0.581 2.997 ( -0.255 -4.263 0.182) 4.275 3.651 ( 0.552 2.353 1.730) 2.972 3.661 ( -0.048 1.390 1.464) 2.019 3.882 ( -0.844 4.503 1.594) 4.851 3.937 ( -0.745 -1.301 2.285) 2.733 4.214 ( 1.066 4.774 -3.946) 6.285 4.244 ( 1.080 1.421 -3.533) 3.958 4.668 ( -0.486 6.372 2.213) 6.763 4.685 ( -0.868 4.658 0.518) 4.766 5.063 ( -0.077 1.314 -0.072) 1.318 5.087 ( 0.026 -1.007 -0.129) 1.015 5.750 ( 0.088 1.039 0.281) 1.080 5.759 ( 0.236 0.412 -0.243) 0.533 6.127 ( 0.045 3.405 1.492) 3.718 6.159 ( 0.065 -0.321 -0.818) 0.881 6.229 ( -0.617 1.229 2.785) 3.106 6.272 ( 0.510 -1.407 2.845) 3.215 6.303 ( 0.541 2.771 -2.126) 3.534 6.358 ( -0.943 -2.192 -2.686) 3.593 6.579 ( 1.353 0.532 0.077) 1.455 6.608 ( -0.042 -1.545 -1.385) 2.076 6.707 ( 0.180 6.409 1.647) 6.620 6.799 ( -0.991 -0.198 -0.775) 1.274 6.835 ( -0.588 -0.503 -0.235) 0.809 6.888 ( -0.193 -8.281 1.738) 8.464 7.082 ( -0.592 0.950 1.636) 1.983 7.102 ( -0.581 -0.787 0.185) 0.996 7.238 ( -2.219 3.098 0.970) 3.932 7.289 ( -3.167 -1.639 2.597) 4.412 7.351 ( 2.890 3.143 -2.288) 4.844 7.402 ( 5.131 -0.471 -3.282) 6.109 7.525 ( 1.359 -0.911 0.339) 1.670 7.534 ( -0.393 -2.711 0.616) 2.807 7.782 ( -0.920 2.065 -1.980) 3.005 7.839 ( -0.908 -4.065 -1.222) 4.341 8.087 ( -0.314 0.591 -0.355) 0.758 8.113 ( 0.686 -1.984 -1.951) 2.866 8.455 ( 0.091 3.848 0.864) 3.945 8.506 ( 0.878 -1.343 -0.753) 1.773 8.971 ( -0.629 2.523 0.634) 2.677 9.026 ( -0.228 -2.942 1.395) 3.264 9.127 ( -0.068 4.115 0.334) 4.129 9.222 ( -0.148 -5.245 -0.524) 5.273 9.401 ( -0.151 0.218 0.211) 0.339 9.435 ( 0.046 -3.039 0.076) 3.040 ======================= Grid point 161 (88/91) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.458 1.717 -1.489) 2.319 1.908 ( -0.872 -0.310 -1.697) 1.932 2.064 ( 0.194 4.027 -0.399) 4.051 2.110 ( 1.383 0.434 -0.727) 1.622 2.188 ( 0.666 5.182 -0.165) 5.227 2.213 ( -0.060 3.773 -1.788) 4.175 2.252 ( -0.950 -1.192 -0.215) 1.539 2.304 ( 1.210 -3.946 -1.901) 4.544 2.533 ( -3.303 1.959 -0.783) 3.919 2.552 ( -2.982 0.544 -4.248) 5.218 2.694 ( -0.147 6.825 -0.045) 6.826 2.721 ( 3.590 4.252 4.300) 7.032 2.834 ( 3.350 -7.114 2.987) 8.412 2.871 ( -2.247 -9.668 1.785) 10.085 2.979 ( 2.109 -1.094 0.995) 2.576 3.005 ( 1.055 -3.442 0.920) 3.716 3.633 ( -2.570 2.708 -0.258) 3.742 3.650 ( -2.043 0.970 -0.279) 2.279 3.891 ( 0.633 4.655 2.730) 5.434 3.947 ( 0.349 -1.115 2.380) 2.651 4.174 ( -2.304 4.962 -3.454) 6.470 4.208 ( -2.297 1.127 -3.001) 3.943 4.698 ( 1.665 5.533 1.301) 5.923 4.702 ( 1.819 5.252 1.546) 5.769 5.056 ( -0.564 1.470 0.066) 1.576 5.077 ( -0.810 -0.635 -0.089) 1.033 5.757 ( 0.464 1.078 -0.019) 1.174 5.767 ( 0.797 0.415 -0.558) 1.057 6.129 ( -0.736 3.360 0.455) 3.470 6.160 ( 0.504 -0.854 -0.472) 1.099 6.242 ( -0.048 2.236 2.619) 3.444 6.294 ( 0.784 1.262 -2.819) 3.187 6.305 ( 0.892 -1.487 1.176) 2.095 6.328 ( -1.217 -2.081 0.389) 2.442 6.562 ( -3.548 1.961 -0.815) 4.135 6.591 ( 0.532 -0.790 -1.484) 1.763 6.719 ( -0.018 4.647 -0.253) 4.654 6.767 ( -2.330 0.767 1.385) 2.817 6.821 ( -0.917 -1.911 0.981) 2.336 6.885 ( -0.561 -7.282 0.576) 7.326 7.094 ( 0.504 0.545 2.084) 2.212 7.102 ( 0.350 -0.079 0.361) 0.509 7.220 ( -0.701 1.984 1.910) 2.842 7.260 ( -1.428 -1.630 2.327) 3.180 7.387 ( 1.227 4.581 -2.360) 5.298 7.492 ( 3.834 -4.848 -2.550) 6.686 7.546 ( 5.593 2.836 -4.086) 7.485 7.594 ( 6.082 -2.131 -0.764) 6.489 7.754 ( -1.372 2.197 0.108) 2.592 7.829 ( -0.395 -5.151 0.972) 5.257 8.061 ( -2.221 1.067 -0.366) 2.491 8.093 ( -1.639 -2.089 -1.362) 2.984 8.448 ( -1.189 3.776 0.484) 3.988 8.500 ( -0.736 -1.530 -1.172) 2.063 8.961 ( -0.629 3.914 1.030) 4.096 9.045 ( 1.241 -4.452 0.956) 4.719 9.101 ( -2.475 4.199 0.241) 4.880 9.196 ( -2.127 -5.220 -0.034) 5.637 9.420 ( 1.666 0.321 0.397) 1.743 9.454 ( 1.554 -2.859 -0.008) 3.254 ======================= Grid point 162 (89/91) ======================= q-point: ( 0.40 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.260 0.934 -1.924) 2.155 1.885 ( -0.098 0.281 -1.913) 1.936 2.067 ( 0.297 5.017 -0.285) 5.034 2.139 ( 1.681 -1.496 0.131) 2.254 2.192 ( -0.134 2.931 -0.860) 3.058 2.197 ( -0.196 3.086 -1.864) 3.611 2.261 ( 1.984 0.342 0.124) 2.017 2.317 ( 1.375 -3.223 -1.661) 3.878 2.453 ( -4.080 3.127 -1.111) 5.259 2.466 ( -2.995 1.847 -3.254) 4.792 2.683 ( -0.659 5.601 0.494) 5.661 2.794 ( -0.011 -0.516 2.898) 2.943 2.849 ( 0.405 -3.405 1.991) 3.966 2.932 ( 3.582 -5.756 2.951) 7.394 3.004 ( 0.458 -2.538 0.514) 2.629 3.051 ( 1.841 -5.604 1.801) 6.168 3.569 ( -3.865 2.860 0.721) 4.862 3.586 ( -3.327 0.917 -0.853) 3.555 3.950 ( 3.461 4.172 2.385) 5.922 3.990 ( 3.098 0.241 1.282) 3.362 4.102 ( -2.971 5.029 -3.101) 6.613 4.137 ( -3.105 1.020 -2.335) 4.017 4.734 ( 1.006 5.573 1.018) 5.754 4.741 ( 1.004 4.914 1.280) 5.176 5.049 ( -0.101 1.341 0.014) 1.345 5.062 ( -0.558 0.052 -0.120) 0.573 5.763 ( 0.126 1.389 -0.102) 1.399 5.777 ( 0.538 0.241 -0.649) 0.876 6.111 ( -1.037 3.445 -0.110) 3.599 6.165 ( 0.094 -2.297 -0.168) 2.305 6.249 ( -0.887 3.107 2.230) 3.926 6.288 ( 0.513 1.419 -2.137) 2.616 6.311 ( -0.471 -0.792 0.528) 1.062 6.340 ( 1.201 -3.320 1.173) 3.721 6.501 ( -1.856 3.976 -0.447) 4.410 6.582 ( -0.215 -3.440 -1.519) 3.767 6.699 ( -1.050 5.810 -0.962) 5.982 6.755 ( -0.401 0.089 3.013) 3.041 6.814 ( -0.004 -1.592 -0.662) 1.724 6.884 ( 0.173 -7.560 -0.094) 7.563 7.113 ( 0.183 1.378 1.668) 2.171 7.126 ( 1.025 0.003 1.872) 2.134 7.224 ( -0.094 1.093 0.975) 1.467 7.256 ( -0.381 -1.892 1.144) 2.243 7.374 ( -0.437 5.620 -1.798) 5.917 7.495 ( -0.786 -5.716 -0.211) 5.774 7.653 ( 0.991 3.590 -0.060) 3.725 7.688 ( 5.879 3.599 -4.008) 7.974 7.759 ( 2.672 -2.843 -1.910) 4.344 7.828 ( 1.372 -6.249 -0.253) 6.403 8.013 ( -1.959 1.542 -0.625) 2.570 8.049 ( -1.765 -2.004 -0.503) 2.718 8.425 ( -1.500 3.702 0.945) 4.104 8.477 ( -0.993 -1.611 -0.268) 1.912 8.966 ( 0.489 4.981 0.617) 5.043 9.051 ( -1.717 0.746 0.393) 1.913 9.083 ( 0.910 -2.194 0.680) 2.471 9.158 ( -1.491 -5.260 -0.055) 5.468 9.451 ( 0.931 0.175 0.562) 1.101 9.477 ( 0.685 -2.320 -0.046) 2.419 ======================= Grid point 163 (90/91) ======================= q-point: (-0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 1.382 1.061 -2.014) 2.662 1.890 ( 1.985 0.247 -2.428) 3.146 2.069 ( 0.066 5.061 -0.389) 5.077 2.151 ( -0.941 -3.397 -0.705) 3.595 2.183 ( 0.818 3.387 -0.934) 3.608 2.196 ( 1.084 2.701 -1.374) 3.218 2.282 ( -0.318 0.218 -2.383) 2.414 2.312 ( -1.158 -1.589 -0.801) 2.123 2.415 ( 1.207 3.706 1.597) 4.212 2.443 ( 1.908 1.312 0.254) 2.330 2.677 ( -0.548 5.570 1.137) 5.711 2.799 ( -0.078 -5.047 2.493) 5.629 2.866 ( -0.642 1.840 0.035) 1.949 2.956 ( -2.257 -3.540 0.374) 4.215 3.010 ( -0.413 -4.700 0.026) 4.718 3.063 ( -1.681 -6.551 0.344) 6.772 3.541 ( 0.013 2.951 4.097) 5.049 3.561 ( 0.521 0.921 2.361) 2.587 3.985 ( -1.493 3.209 -2.043) 4.086 4.006 ( -2.903 1.601 -2.332) 4.053 4.091 ( 4.690 4.611 -0.550) 6.599 4.121 ( 3.643 1.404 0.007) 3.904 4.735 ( -1.601 6.086 0.872) 6.353 4.750 ( -0.772 4.514 0.448) 4.601 5.050 ( 0.258 1.123 -0.107) 1.157 5.062 ( 0.610 0.017 -0.084) 0.616 5.760 ( -0.446 1.503 0.148) 1.575 5.775 ( -0.335 0.131 -0.482) 0.601 6.100 ( -0.117 3.684 0.782) 3.768 6.164 ( -0.028 -2.523 0.080) 2.524 6.242 ( -1.399 2.191 2.435) 3.562 6.274 ( -1.652 -0.221 0.758) 1.831 6.306 ( 0.140 2.292 -0.915) 2.472 6.370 ( 1.810 -3.360 -0.785) 3.896 6.497 ( 1.257 3.684 -0.036) 3.892 6.578 ( 0.811 -3.850 -1.097) 4.084 6.687 ( 0.057 6.455 0.190) 6.458 6.782 ( 1.373 -0.860 2.309) 2.821 6.812 ( 0.798 -1.219 -2.347) 2.762 6.883 ( -0.257 -7.890 -0.151) 7.895 7.114 ( -1.276 2.220 1.461) 2.948 7.144 ( -0.399 -0.715 0.792) 1.140 7.235 ( 0.997 1.172 0.101) 1.542 7.265 ( 1.036 -1.746 0.403) 2.070 7.359 ( -0.374 5.813 -0.816) 5.882 7.480 ( -1.144 -5.897 1.062) 6.100 7.571 ( -7.665 5.250 3.143) 9.808 7.683 ( -6.782 -5.899 1.044) 9.049 7.790 ( 4.852 4.457 -6.003) 8.913 7.891 ( 3.187 -5.643 -5.110) 8.253 8.013 ( 3.008 1.535 -0.562) 3.424 8.048 ( 2.040 -1.935 -0.433) 2.845 8.416 ( -0.230 3.723 1.815) 4.148 8.467 ( -0.048 -1.533 0.642) 1.662 8.974 ( -0.048 4.321 -0.132) 4.323 9.044 ( 0.453 0.415 1.114) 1.272 9.082 ( -1.112 -0.832 0.676) 1.544 9.165 ( 2.192 -5.770 -0.599) 6.202 9.453 ( -1.005 -0.045 0.339) 1.062 9.475 ( -0.841 -2.066 0.081) 2.232 ======================= Grid point 164 (91/91) ======================= q-point: (-0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 1.580 1.709 -1.854) 2.975 1.915 ( 2.122 -0.136 -2.447) 3.242 2.066 ( -0.016 3.995 -0.474) 4.023 2.119 ( -1.087 -1.205 -1.565) 2.255 2.196 ( -0.449 5.723 -1.036) 5.834 2.203 ( 1.384 3.860 -0.742) 4.167 2.263 ( 0.889 -1.602 -1.726) 2.517 2.291 ( -0.322 -3.185 -0.523) 3.243 2.479 ( 2.951 3.065 3.249) 5.354 2.513 ( 4.171 0.032 1.474) 4.424 2.677 ( -0.396 7.210 1.318) 7.340 2.792 ( -2.901 1.469 -2.182) 3.916 2.840 ( -2.255 -6.108 2.277) 6.898 2.886 ( -2.543 -5.690 -0.824) 6.286 2.997 ( -1.511 -3.717 -1.327) 4.226 3.009 ( -2.567 -3.651 0.792) 4.533 3.602 ( 2.225 2.575 4.745) 5.839 3.618 ( 2.435 0.903 4.085) 4.840 3.916 ( -2.719 3.768 -2.337) 5.201 3.952 ( -1.828 0.026 -0.126) 1.833 4.177 ( 4.790 4.810 -2.370) 7.190 4.206 ( 4.647 1.640 -1.731) 5.223 4.695 ( -2.941 6.658 1.174) 7.373 4.719 ( -2.459 4.135 0.219) 4.816 5.058 ( 0.563 1.211 -0.156) 1.344 5.077 ( 0.924 -0.674 -0.114) 1.149 5.752 ( -0.475 1.247 0.399) 1.392 5.763 ( -0.491 0.244 -0.237) 0.598 6.113 ( 0.400 3.666 1.559) 4.003 6.164 ( -0.070 -1.278 -0.245) 1.303 6.232 ( -1.518 1.055 2.923) 3.458 6.256 ( -0.959 -0.397 2.658) 2.853 6.304 ( 0.786 3.549 -2.387) 4.349 6.383 ( 0.440 -3.668 -2.534) 4.480 6.538 ( 2.421 2.164 1.199) 3.461 6.594 ( 1.636 -2.689 -1.361) 3.429 6.697 ( 0.215 6.767 1.295) 6.893 6.809 ( 0.946 0.604 -2.342) 2.597 6.828 ( 1.405 -2.689 0.776) 3.132 6.878 ( -0.123 -8.000 0.586) 8.022 7.094 ( -1.480 1.722 1.165) 2.552 7.123 ( -1.646 -1.096 0.157) 1.984 7.254 ( 1.052 2.664 -1.102) 3.069 7.295 ( 1.507 -1.485 0.204) 2.126 7.344 ( -0.954 4.273 0.260) 4.386 7.423 ( -6.175 -1.130 1.966) 6.578 7.501 ( -0.300 0.268 1.534) 1.586 7.574 ( -4.450 -4.740 0.689) 6.538 7.806 ( 0.829 3.094 -4.384) 5.430 7.874 ( -1.059 -4.029 -3.012) 5.140 8.072 ( 2.635 0.316 -1.052) 2.854 8.092 ( 2.756 -1.758 -1.781) 3.723 8.436 ( 0.834 3.634 1.695) 4.095 8.484 ( 1.296 -1.220 0.399) 1.824 8.972 ( 0.068 2.976 -0.043) 2.977 9.038 ( -1.788 -3.866 1.678) 4.578 9.101 ( 2.216 4.822 0.245) 5.312 9.205 ( 2.193 -5.769 -0.745) 6.217 9.424 ( -1.997 0.119 0.115) 2.004 9.452 ( -1.541 -2.561 0.183) 2.994 =================== 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 3/19500 10.0 664.072 819.595 843.685 0.000 61.308 0.000 3/19500 20.0 136.561 215.004 174.087 0.000 5.774 0.000 3/19500 30.0 57.986 104.270 77.077 0.000 1.838 0.000 3/19500 40.0 34.027 63.966 45.720 0.000 0.874 0.000 3/19500 50.0 22.987 43.812 30.861 0.000 0.522 0.000 3/19500 60.0 16.813 32.134 22.468 0.000 0.359 0.000 3/19500 70.0 12.996 24.818 17.276 0.000 0.270 0.000 3/19500 80.0 10.473 19.970 13.859 0.000 0.214 0.000 3/19500 90.0 8.718 16.602 11.494 0.000 0.175 0.000 3/19500 100.0 7.445 14.164 9.786 0.000 0.146 0.000 3/19500 110.0 6.487 12.336 8.508 0.000 0.125 0.000 3/19500 120.0 5.745 10.923 7.522 0.000 0.108 0.000 3/19500 130.0 5.156 9.802 6.742 0.000 0.095 0.000 3/19500 140.0 4.677 8.894 6.110 0.000 0.084 0.000 3/19500 150.0 4.281 8.143 5.588 0.000 0.075 0.000 3/19500 160.0 3.949 7.513 5.151 0.000 0.068 0.000 3/19500 170.0 3.666 6.976 4.779 0.000 0.062 0.000 3/19500 180.0 3.421 6.514 4.459 0.000 0.057 0.000 3/19500 190.0 3.209 6.111 4.180 0.000 0.052 0.000 3/19500 200.0 3.022 5.757 3.935 0.000 0.049 0.000 3/19500 210.0 2.856 5.443 3.719 0.000 0.045 0.000 3/19500 220.0 2.708 5.163 3.526 0.000 0.042 0.000 3/19500 230.0 2.576 4.911 3.352 0.000 0.040 0.000 3/19500 240.0 2.456 4.684 3.196 0.000 0.037 0.000 3/19500 250.0 2.347 4.477 3.054 0.000 0.035 0.000 3/19500 260.0 2.247 4.288 2.924 0.000 0.034 0.000 3/19500 270.0 2.156 4.115 2.805 0.000 0.032 0.000 3/19500 280.0 2.072 3.956 2.696 0.000 0.030 0.000 3/19500 290.0 1.995 3.809 2.595 0.000 0.029 0.000 3/19500 300.0 1.923 3.673 2.502 0.000 0.028 0.000 3/19500 310.0 1.857 3.547 2.415 0.000 0.027 0.000 3/19500 320.0 1.795 3.429 2.335 0.000 0.026 0.000 3/19500 330.0 1.737 3.319 2.259 0.000 0.025 0.000 3/19500 340.0 1.683 3.216 2.189 0.000 0.024 0.000 3/19500 350.0 1.632 3.120 2.123 0.000 0.023 0.000 3/19500 360.0 1.584 3.029 2.061 0.000 0.022 0.000 3/19500 370.0 1.539 2.943 2.002 0.000 0.021 0.000 3/19500 380.0 1.497 2.862 1.947 0.000 0.021 0.000 3/19500 390.0 1.457 2.786 1.895 0.000 0.020 0.000 3/19500 400.0 1.419 2.713 1.845 0.000 0.019 0.000 3/19500 410.0 1.383 2.645 1.798 0.000 0.019 0.000 3/19500 420.0 1.349 2.579 1.754 0.000 0.018 0.000 3/19500 430.0 1.316 2.517 1.711 0.000 0.018 0.000 3/19500 440.0 1.285 2.458 1.671 0.000 0.017 0.000 3/19500 450.0 1.256 2.402 1.633 0.000 0.017 0.000 3/19500 460.0 1.227 2.348 1.596 0.000 0.016 0.000 3/19500 470.0 1.201 2.297 1.561 0.000 0.016 0.000 3/19500 480.0 1.175 2.248 1.528 0.000 0.016 0.000 3/19500 490.0 1.150 2.201 1.495 0.000 0.015 0.000 3/19500 500.0 1.127 2.156 1.465 0.000 0.015 0.000 3/19500 510.0 1.104 2.112 1.435 0.000 0.015 0.000 3/19500 520.0 1.082 2.071 1.407 0.000 0.014 0.000 3/19500 530.0 1.061 2.031 1.380 0.000 0.014 0.000 3/19500 540.0 1.041 1.993 1.354 0.000 0.014 0.000 3/19500 550.0 1.022 1.956 1.328 0.000 0.013 0.000 3/19500 560.0 1.003 1.920 1.304 0.000 0.013 0.000 3/19500 570.0 0.985 1.886 1.281 0.000 0.013 0.000 3/19500 580.0 0.968 1.853 1.258 0.000 0.013 0.000 3/19500 590.0 0.951 1.821 1.237 0.000 0.012 0.000 3/19500 600.0 0.935 1.790 1.216 0.000 0.012 0.000 3/19500 610.0 0.919 1.760 1.195 0.000 0.012 0.000 3/19500 620.0 0.904 1.731 1.176 0.000 0.012 0.000 3/19500 630.0 0.890 1.703 1.157 0.000 0.012 0.000 3/19500 640.0 0.876 1.676 1.138 0.000 0.011 0.000 3/19500 650.0 0.862 1.650 1.121 0.000 0.011 0.000 3/19500 660.0 0.849 1.625 1.103 0.000 0.011 0.000 3/19500 670.0 0.836 1.600 1.087 0.000 0.011 0.000 3/19500 680.0 0.823 1.577 1.070 0.000 0.011 0.000 3/19500 690.0 0.811 1.553 1.055 0.000 0.010 0.000 3/19500 700.0 0.799 1.531 1.039 0.000 0.010 0.000 3/19500 710.0 0.788 1.509 1.025 0.000 0.010 0.000 3/19500 720.0 0.777 1.488 1.010 0.000 0.010 0.000 3/19500 730.0 0.766 1.467 0.996 0.000 0.010 0.000 3/19500 740.0 0.756 1.447 0.983 0.000 0.010 0.000 3/19500 750.0 0.746 1.428 0.969 0.000 0.010 0.000 3/19500 760.0 0.736 1.409 0.956 0.000 0.009 0.000 3/19500 770.0 0.726 1.390 0.944 0.000 0.009 0.000 3/19500 780.0 0.717 1.372 0.932 0.000 0.009 0.000 3/19500 790.0 0.707 1.355 0.920 0.000 0.009 0.000 3/19500 800.0 0.698 1.338 0.908 0.000 0.009 0.000 3/19500 810.0 0.690 1.321 0.897 0.000 0.009 0.000 3/19500 820.0 0.681 1.305 0.886 0.000 0.009 0.000 3/19500 830.0 0.673 1.289 0.875 0.000 0.009 0.000 3/19500 840.0 0.665 1.274 0.864 0.000 0.009 0.000 3/19500 850.0 0.657 1.258 0.854 0.000 0.008 0.000 3/19500 860.0 0.649 1.244 0.844 0.000 0.008 0.000 3/19500 870.0 0.642 1.229 0.834 0.000 0.008 0.000 3/19500 880.0 0.634 1.215 0.825 0.000 0.008 0.000 3/19500 890.0 0.627 1.202 0.815 0.000 0.008 0.000 3/19500 900.0 0.620 1.188 0.806 0.000 0.008 0.000 3/19500 910.0 0.613 1.175 0.797 0.000 0.008 0.000 3/19500 920.0 0.607 1.162 0.789 0.000 0.008 0.000 3/19500 930.0 0.600 1.150 0.780 0.000 0.008 0.000 3/19500 940.0 0.594 1.137 0.772 0.000 0.008 0.000 3/19500 950.0 0.587 1.125 0.764 0.000 0.007 0.000 3/19500 960.0 0.581 1.113 0.756 0.000 0.007 0.000 3/19500 970.0 0.575 1.102 0.748 0.000 0.007 0.000 3/19500 980.0 0.569 1.091 0.740 0.000 0.007 0.000 3/19500 990.0 0.563 1.079 0.733 0.000 0.007 0.000 3/19500 1000.0 0.558 1.069 0.725 0.000 0.007 0.000 3/19500 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:37:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|