----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:16:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.357120232997861 0.000000000000000 0.000000000000000 b 0.000000000000000 5.402729130000000 0.000000000000000 c -0.365584153387224 0.000000000000000 5.580585167630618 Atomic positions (fractional): *1 O 0.62209469811131 0.91916157697584 0.09663325072844 15.999 2 O 0.37790530188869 0.91916157697584 0.40336674927156 15.999 3 O 0.37790530188869 0.08083842302416 0.90336674927156 15.999 4 O 0.62209469811131 0.08083842302416 0.59663325072844 15.999 *5 O 0.70132330952308 0.53455999801028 0.46602643446412 15.999 6 O 0.29867669047692 0.46544000198972 0.53397356553588 15.999 7 O 0.29867669047692 0.53455999801028 0.03397356553588 15.999 8 O 0.70132330952308 0.46544000198972 0.96602643446412 15.999 *9 Cl 0.00000000000000 0.27876656460958 0.25000000000000 35.453 10 Cl 0.00000000000000 0.72123343539042 0.75000000000000 35.453 *11 Sb 0.79671950982531 0.29810461234846 0.70180463051789 121.760 *12 Sb 0.50000000000000 0.18771598433821 0.25000000000000 121.760 13 Sb 0.50000000000000 0.81228401566179 0.75000000000000 121.760 14 Sb 0.20328049017469 0.29810461234846 0.79819536948211 121.760 15 Sb 0.20328049017469 0.70189538765154 0.29819536948211 121.760 16 Sb 0.79671950982531 0.70189538765154 0.20180463051789 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.357120232997861 0.000000000000000 0.000000000000000 b 0.000000000000000 5.402729130000000 0.000000000000000 c -0.365584153387224 0.000000000000000 5.580585167630618 Atomic positions (fractional): *1 O 0.62209469811131 0.91916157697584 0.09663325072844 15.999 > 1 2 O 0.37790530188869 0.91916157697584 0.40336674927156 15.999 > 2 3 O 0.37790530188869 0.08083842302416 0.90336674927156 15.999 > 3 4 O 0.62209469811131 0.08083842302416 0.59663325072844 15.999 > 4 *5 O 0.70132330952308 0.53455999801028 0.46602643446412 15.999 > 5 6 O 0.29867669047692 0.46544000198972 0.53397356553588 15.999 > 6 7 O 0.29867669047692 0.53455999801028 0.03397356553588 15.999 > 7 8 O 0.70132330952308 0.46544000198972 0.96602643446412 15.999 > 8 *9 Cl 0.00000000000000 0.27876656460958 0.25000000000000 35.453 > 9 10 Cl 0.00000000000000 0.72123343539042 0.75000000000000 35.453 > 10 *11 Sb 0.79671950982531 0.29810461234846 0.70180463051789 121.760 > 11 *12 Sb 0.50000000000000 0.18771598433821 0.25000000000000 121.760 > 12 13 Sb 0.50000000000000 0.81228401566179 0.75000000000000 121.760 > 13 14 Sb 0.20328049017469 0.29810461234846 0.79819536948211 121.760 > 14 15 Sb 0.20328049017469 0.70189538765154 0.29819536948211 121.760 > 15 16 Sb 0.79671950982531 0.70189538765154 0.20180463051789 121.760 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.714240465995722 0.000000000000000 0.000000000000000 b 0.000000000000000 10.805458260000000 0.000000000000000 c -0.731168306774448 0.000000000000000 11.161170335261236 Atomic positions (fractional): *1 O 0.31104734905566 0.45958078848792 0.04831662536422 15.999 > 1 2 O 0.81104734905566 0.45958078848792 0.04831662536422 15.999 > 1 3 O 0.31104734905566 0.95958078848792 0.04831662536422 15.999 > 1 4 O 0.81104734905566 0.95958078848792 0.04831662536422 15.999 > 1 5 O 0.31104734905566 0.45958078848792 0.54831662536422 15.999 > 1 6 O 0.81104734905566 0.45958078848792 0.54831662536422 15.999 > 1 7 O 0.31104734905566 0.95958078848792 0.54831662536422 15.999 > 1 8 O 0.81104734905566 0.95958078848792 0.54831662536422 15.999 > 1 9 O 0.18895265094434 0.45958078848792 0.20168337463578 15.999 > 2 10 O 0.68895265094434 0.45958078848792 0.20168337463578 15.999 > 2 11 O 0.18895265094434 0.95958078848792 0.20168337463578 15.999 > 2 12 O 0.68895265094434 0.95958078848792 0.20168337463578 15.999 > 2 13 O 0.18895265094434 0.45958078848792 0.70168337463578 15.999 > 2 14 O 0.68895265094434 0.45958078848792 0.70168337463578 15.999 > 2 15 O 0.18895265094434 0.95958078848792 0.70168337463578 15.999 > 2 16 O 0.68895265094434 0.95958078848792 0.70168337463578 15.999 > 2 17 O 0.18895265094434 0.04041921151208 0.45168337463578 15.999 > 3 18 O 0.68895265094434 0.04041921151208 0.45168337463578 15.999 > 3 19 O 0.18895265094434 0.54041921151208 0.45168337463578 15.999 > 3 20 O 0.68895265094434 0.54041921151208 0.45168337463578 15.999 > 3 21 O 0.18895265094434 0.04041921151208 0.95168337463578 15.999 > 3 22 O 0.68895265094434 0.04041921151208 0.95168337463578 15.999 > 3 23 O 0.18895265094434 0.54041921151208 0.95168337463578 15.999 > 3 24 O 0.68895265094434 0.54041921151208 0.95168337463578 15.999 > 3 25 O 0.31104734905566 0.04041921151208 0.29831662536422 15.999 > 4 26 O 0.81104734905566 0.04041921151208 0.29831662536422 15.999 > 4 27 O 0.31104734905566 0.54041921151208 0.29831662536422 15.999 > 4 28 O 0.81104734905566 0.54041921151208 0.29831662536422 15.999 > 4 29 O 0.31104734905566 0.04041921151208 0.79831662536422 15.999 > 4 30 O 0.81104734905566 0.04041921151208 0.79831662536422 15.999 > 4 31 O 0.31104734905566 0.54041921151208 0.79831662536422 15.999 > 4 32 O 0.81104734905566 0.54041921151208 0.79831662536422 15.999 > 4 *33 O 0.35066165476154 0.26727999900514 0.23301321723206 15.999 > 5 34 O 0.85066165476154 0.26727999900514 0.23301321723206 15.999 > 5 35 O 0.35066165476154 0.76727999900514 0.23301321723206 15.999 > 5 36 O 0.85066165476154 0.76727999900514 0.23301321723206 15.999 > 5 37 O 0.35066165476154 0.26727999900514 0.73301321723206 15.999 > 5 38 O 0.85066165476154 0.26727999900514 0.73301321723206 15.999 > 5 39 O 0.35066165476154 0.76727999900514 0.73301321723206 15.999 > 5 40 O 0.85066165476154 0.76727999900514 0.73301321723206 15.999 > 5 41 O 0.14933834523846 0.23272000099486 0.26698678276794 15.999 > 6 42 O 0.64933834523846 0.23272000099486 0.26698678276794 15.999 > 6 43 O 0.14933834523846 0.73272000099486 0.26698678276794 15.999 > 6 44 O 0.64933834523846 0.73272000099486 0.26698678276794 15.999 > 6 45 O 0.14933834523846 0.23272000099486 0.76698678276794 15.999 > 6 46 O 0.64933834523846 0.23272000099486 0.76698678276794 15.999 > 6 47 O 0.14933834523846 0.73272000099486 0.76698678276794 15.999 > 6 48 O 0.64933834523846 0.73272000099486 0.76698678276794 15.999 > 6 49 O 0.14933834523846 0.26727999900514 0.01698678276794 15.999 > 7 50 O 0.64933834523846 0.26727999900514 0.01698678276794 15.999 > 7 51 O 0.14933834523846 0.76727999900514 0.01698678276794 15.999 > 7 52 O 0.64933834523846 0.76727999900514 0.01698678276794 15.999 > 7 53 O 0.14933834523846 0.26727999900514 0.51698678276794 15.999 > 7 54 O 0.64933834523846 0.26727999900514 0.51698678276794 15.999 > 7 55 O 0.14933834523846 0.76727999900514 0.51698678276794 15.999 > 7 56 O 0.64933834523846 0.76727999900514 0.51698678276794 15.999 > 7 57 O 0.35066165476154 0.23272000099486 0.48301321723206 15.999 > 8 58 O 0.85066165476154 0.23272000099486 0.48301321723206 15.999 > 8 59 O 0.35066165476154 0.73272000099486 0.48301321723206 15.999 > 8 60 O 0.85066165476154 0.73272000099486 0.48301321723206 15.999 > 8 61 O 0.35066165476154 0.23272000099486 0.98301321723206 15.999 > 8 62 O 0.85066165476154 0.23272000099486 0.98301321723206 15.999 > 8 63 O 0.35066165476154 0.73272000099486 0.98301321723206 15.999 > 8 64 O 0.85066165476154 0.73272000099486 0.98301321723206 15.999 > 8 *65 Cl 0.00000000000000 0.13938328230479 0.12500000000000 35.453 > 9 66 Cl 0.50000000000000 0.13938328230479 0.12500000000000 35.453 > 9 67 Cl 0.00000000000000 0.63938328230479 0.12500000000000 35.453 > 9 68 Cl 0.50000000000000 0.63938328230479 0.12500000000000 35.453 > 9 69 Cl 0.00000000000000 0.13938328230479 0.62500000000000 35.453 > 9 70 Cl 0.50000000000000 0.13938328230479 0.62500000000000 35.453 > 9 71 Cl 0.00000000000000 0.63938328230479 0.62500000000000 35.453 > 9 72 Cl 0.50000000000000 0.63938328230479 0.62500000000000 35.453 > 9 73 Cl 0.00000000000000 0.36061671769521 0.37500000000000 35.453 > 10 74 Cl 0.50000000000000 0.36061671769521 0.37500000000000 35.453 > 10 75 Cl 0.00000000000000 0.86061671769521 0.37500000000000 35.453 > 10 76 Cl 0.50000000000000 0.86061671769521 0.37500000000000 35.453 > 10 77 Cl 0.00000000000000 0.36061671769521 0.87500000000000 35.453 > 10 78 Cl 0.50000000000000 0.36061671769521 0.87500000000000 35.453 > 10 79 Cl 0.00000000000000 0.86061671769521 0.87500000000000 35.453 > 10 80 Cl 0.50000000000000 0.86061671769521 0.87500000000000 35.453 > 10 *81 Sb 0.39835975491266 0.14905230617423 0.35090231525895 121.760 > 11 82 Sb 0.89835975491266 0.14905230617423 0.35090231525895 121.760 > 11 83 Sb 0.39835975491266 0.64905230617423 0.35090231525895 121.760 > 11 84 Sb 0.89835975491266 0.64905230617423 0.35090231525895 121.760 > 11 85 Sb 0.39835975491266 0.14905230617423 0.85090231525895 121.760 > 11 86 Sb 0.89835975491266 0.14905230617423 0.85090231525895 121.760 > 11 87 Sb 0.39835975491266 0.64905230617423 0.85090231525895 121.760 > 11 88 Sb 0.89835975491266 0.64905230617423 0.85090231525895 121.760 > 11 *89 Sb 0.25000000000000 0.09385799216911 0.12500000000000 121.760 > 12 90 Sb 0.75000000000000 0.09385799216911 0.12500000000000 121.760 > 12 91 Sb 0.25000000000000 0.59385799216911 0.12500000000000 121.760 > 12 92 Sb 0.75000000000000 0.59385799216911 0.12500000000000 121.760 > 12 93 Sb 0.25000000000000 0.09385799216911 0.62500000000000 121.760 > 12 94 Sb 0.75000000000000 0.09385799216911 0.62500000000000 121.760 > 12 95 Sb 0.25000000000000 0.59385799216911 0.62500000000000 121.760 > 12 96 Sb 0.75000000000000 0.59385799216911 0.62500000000000 121.760 > 12 97 Sb 0.25000000000000 0.40614200783089 0.37500000000000 121.760 > 13 98 Sb 0.75000000000000 0.40614200783089 0.37500000000000 121.760 > 13 99 Sb 0.25000000000000 0.90614200783089 0.37500000000000 121.760 > 13 100 Sb 0.75000000000000 0.90614200783089 0.37500000000000 121.760 > 13 101 Sb 0.25000000000000 0.40614200783089 0.87500000000000 121.760 > 13 102 Sb 0.75000000000000 0.40614200783089 0.87500000000000 121.760 > 13 103 Sb 0.25000000000000 0.90614200783089 0.87500000000000 121.760 > 13 104 Sb 0.75000000000000 0.90614200783089 0.87500000000000 121.760 > 13 105 Sb 0.10164024508734 0.14905230617423 0.39909768474105 121.760 > 14 106 Sb 0.60164024508734 0.14905230617423 0.39909768474105 121.760 > 14 107 Sb 0.10164024508734 0.64905230617423 0.39909768474105 121.760 > 14 108 Sb 0.60164024508734 0.64905230617423 0.39909768474105 121.760 > 14 109 Sb 0.10164024508734 0.14905230617423 0.89909768474105 121.760 > 14 110 Sb 0.60164024508734 0.14905230617423 0.89909768474105 121.760 > 14 111 Sb 0.10164024508734 0.64905230617423 0.89909768474105 121.760 > 14 112 Sb 0.60164024508734 0.64905230617423 0.89909768474105 121.760 > 14 113 Sb 0.10164024508734 0.35094769382577 0.14909768474105 121.760 > 15 114 Sb 0.60164024508734 0.35094769382577 0.14909768474105 121.760 > 15 115 Sb 0.10164024508734 0.85094769382577 0.14909768474105 121.760 > 15 116 Sb 0.60164024508734 0.85094769382577 0.14909768474105 121.760 > 15 117 Sb 0.10164024508734 0.35094769382577 0.64909768474105 121.760 > 15 118 Sb 0.60164024508734 0.35094769382577 0.64909768474105 121.760 > 15 119 Sb 0.10164024508734 0.85094769382577 0.64909768474105 121.760 > 15 120 Sb 0.60164024508734 0.85094769382577 0.64909768474105 121.760 > 15 121 Sb 0.39835975491266 0.35094769382577 0.10090231525895 121.760 > 16 122 Sb 0.89835975491266 0.35094769382577 0.10090231525895 121.760 > 16 123 Sb 0.39835975491266 0.85094769382577 0.10090231525895 121.760 > 16 124 Sb 0.89835975491266 0.85094769382577 0.10090231525895 121.760 > 16 125 Sb 0.39835975491266 0.35094769382577 0.60090231525895 121.760 > 16 126 Sb 0.89835975491266 0.35094769382577 0.60090231525895 121.760 > 16 127 Sb 0.39835975491266 0.85094769382577 0.60090231525895 121.760 > 16 128 Sb 0.89835975491266 0.85094769382577 0.60090231525895 121.760 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6254713 0.0000000 -0.0105754 0.0000000 5.2697849 0.0000000 -0.0105744 0.0000000 5.6532648 -------------------------- Born effective charges -------------------------- 1 O -3.0747075 1.4693711 -0.6632402 1.7122097 -2.4337012 0.0325841 -0.5171251 -0.7659259 -2.4761401 2 O -3.0747075 -1.4693711 -0.6632402 -1.7122097 -2.4337012 -0.0325841 -0.5171251 0.7659259 -2.4761401 3 O -3.0747075 1.4693711 -0.6632402 1.7122097 -2.4337012 0.0325841 -0.5171251 -0.7659259 -2.4761401 4 O -3.0747075 -1.4693711 -0.6632402 -1.7122097 -2.4337012 -0.0325841 -0.5171251 0.7659259 -2.4761401 5 O -1.9446520 -0.3758237 0.2552875 -0.1615072 -2.0466983 0.7493907 0.2837282 1.4427009 -3.1303143 6 O -1.9446520 -0.3758237 0.2552875 -0.1615072 -2.0466983 0.7493907 0.2837282 1.4427009 -3.1303143 7 O -1.9446520 0.3758237 0.2552875 0.1615072 -2.0466983 -0.7493907 0.2837282 -1.4427009 -3.1303143 8 O -1.9446520 0.3758237 0.2552875 0.1615072 -2.0466983 -0.7493907 0.2837282 -1.4427009 -3.1303143 9 Cl -2.1361499 0.0000000 0.2091560 0.0000000 -1.9379382 0.0000000 0.1174124 0.0000000 -1.7063793 10 Cl -2.1361499 0.0000000 0.2091560 0.0000000 -1.9379382 0.0000000 0.1174124 0.0000000 -1.7063793 11 Sb 4.0836975 0.8784579 0.1734077 0.6453375 3.4784258 0.5540990 0.1701839 0.3659193 3.9938857 12 Sb 4.0074737 0.0000000 0.2599341 0.0000000 3.9418856 0.0000000 0.0090136 0.0000000 4.9315167 13 Sb 4.0074737 0.0000000 0.2599341 0.0000000 3.9418856 0.0000000 0.0090136 0.0000000 4.9315167 14 Sb 4.0836975 -0.8784579 0.1734077 -0.6453375 3.4784258 -0.5540990 0.1701839 -0.3659193 3.9938857 15 Sb 4.0836975 0.8784579 0.1734077 0.6453375 3.4784258 0.5540990 0.1701839 0.3659193 3.9938857 16 Sb 4.0836975 -0.8784579 0.1734077 -0.6453375 3.4784258 -0.5540990 0.1701839 -0.3659193 3.9938857 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2452 Number of blocks in projector: 2452 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: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 263 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 249 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 249 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 308 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 308 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 308 Use standard eigh solver. Tree of FC basis block matrices: - (2452, 2416), data: False |-- (308, 303), data: True |-- (308, 303), data: True |-- (308, 303), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 5), data: (504, 11) @ (11, 5) |-- (254, 249), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 5), data: (504, 11) @ (11, 5) |-- (254, 249), data: True |-- (250, 244), data: True |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 7), data: (520, 16) @ (16, 7) |-- (270, 263), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.902 Solver_block: 200 / 480 - Time: 0.866 Solver_block: 300 / 480 - Time: 0.838 Solver_block: 400 / 480 - Time: 0.856 Solver_block: 480 / 480 - Time: 0.695 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.253 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2452 Number of blocks in projector: 2452 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: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 263 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 249 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 249 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 308 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 308 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 308 Use standard eigh solver. Tree of FC basis block matrices: - (2452, 2416), data: False |-- (308, 303), data: True |-- (308, 303), data: True |-- (308, 303), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 5), data: (504, 11) @ (11, 5) |-- (254, 249), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 5), data: (504, 11) @ (11, 5) |-- (254, 249), data: True |-- (250, 244), data: True |-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 7), data: (520, 16) @ (16, 7) |-- (270, 263), data: True |-- (250, 241), 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 2026-01-08 08:16:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:16:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.357120232997861 0.000000000000000 0.000000000000000 b 0.000000000000000 5.402729130000000 0.000000000000000 c -0.365584153387224 0.000000000000000 5.580585167630618 Atomic positions (fractional): 1 O 0.62209469811131 0.91916157697584 0.09663325072844 15.999 2 O 0.37790530188869 0.91916157697584 0.40336674927156 15.999 3 O 0.37790530188869 0.08083842302416 0.90336674927156 15.999 4 O 0.62209469811131 0.08083842302416 0.59663325072844 15.999 5 O 0.70132330952308 0.53455999801028 0.46602643446412 15.999 6 O 0.29867669047692 0.46544000198972 0.53397356553588 15.999 7 O 0.29867669047692 0.53455999801028 0.03397356553588 15.999 8 O 0.70132330952308 0.46544000198972 0.96602643446412 15.999 9 Cl 0.00000000000000 0.27876656460958 0.25000000000000 35.453 10 Cl 0.00000000000000 0.72123343539042 0.75000000000000 35.453 11 Sb 0.79671950982531 0.29810461234846 0.70180463051789 121.760 12 Sb 0.50000000000000 0.18771598433821 0.25000000000000 121.760 13 Sb 0.50000000000000 0.81228401566179 0.75000000000000 121.760 14 Sb 0.20328049017469 0.29810461234846 0.79819536948211 121.760 15 Sb 0.20328049017469 0.70189538765154 0.29819536948211 121.760 16 Sb 0.79671950982531 0.70189538765154 0.20180463051789 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.714240465995722 0.000000000000000 0.000000000000000 b 0.000000000000000 10.805458260000000 0.000000000000000 c -0.731168306774448 0.000000000000000 11.161170335261236 Atomic positions (fractional): 1 O 0.31104734905566 0.45958078848792 0.04831662536422 15.999 > 1 2 O 0.81104734905566 0.45958078848792 0.04831662536422 15.999 > 1 3 O 0.31104734905566 0.95958078848792 0.04831662536422 15.999 > 1 4 O 0.81104734905566 0.95958078848792 0.04831662536422 15.999 > 1 5 O 0.31104734905566 0.45958078848792 0.54831662536422 15.999 > 1 6 O 0.81104734905566 0.45958078848792 0.54831662536422 15.999 > 1 7 O 0.31104734905566 0.95958078848792 0.54831662536422 15.999 > 1 8 O 0.81104734905566 0.95958078848792 0.54831662536422 15.999 > 1 9 O 0.18895265094434 0.45958078848792 0.20168337463578 15.999 > 9 10 O 0.68895265094434 0.45958078848792 0.20168337463578 15.999 > 9 11 O 0.18895265094434 0.95958078848792 0.20168337463578 15.999 > 9 12 O 0.68895265094434 0.95958078848792 0.20168337463578 15.999 > 9 13 O 0.18895265094434 0.45958078848792 0.70168337463578 15.999 > 9 14 O 0.68895265094434 0.45958078848792 0.70168337463578 15.999 > 9 15 O 0.18895265094434 0.95958078848792 0.70168337463578 15.999 > 9 16 O 0.68895265094434 0.95958078848792 0.70168337463578 15.999 > 9 17 O 0.18895265094434 0.04041921151208 0.45168337463578 15.999 > 17 18 O 0.68895265094434 0.04041921151208 0.45168337463578 15.999 > 17 19 O 0.18895265094434 0.54041921151208 0.45168337463578 15.999 > 17 20 O 0.68895265094434 0.54041921151208 0.45168337463578 15.999 > 17 21 O 0.18895265094434 0.04041921151208 0.95168337463578 15.999 > 17 22 O 0.68895265094434 0.04041921151208 0.95168337463578 15.999 > 17 23 O 0.18895265094434 0.54041921151208 0.95168337463578 15.999 > 17 24 O 0.68895265094434 0.54041921151208 0.95168337463578 15.999 > 17 25 O 0.31104734905566 0.04041921151208 0.29831662536422 15.999 > 25 26 O 0.81104734905566 0.04041921151208 0.29831662536422 15.999 > 25 27 O 0.31104734905566 0.54041921151208 0.29831662536422 15.999 > 25 28 O 0.81104734905566 0.54041921151208 0.29831662536422 15.999 > 25 29 O 0.31104734905566 0.04041921151208 0.79831662536422 15.999 > 25 30 O 0.81104734905566 0.04041921151208 0.79831662536422 15.999 > 25 31 O 0.31104734905566 0.54041921151208 0.79831662536422 15.999 > 25 32 O 0.81104734905566 0.54041921151208 0.79831662536422 15.999 > 25 33 O 0.35066165476154 0.26727999900514 0.23301321723206 15.999 > 33 34 O 0.85066165476154 0.26727999900514 0.23301321723206 15.999 > 33 35 O 0.35066165476154 0.76727999900514 0.23301321723206 15.999 > 33 36 O 0.85066165476154 0.76727999900514 0.23301321723206 15.999 > 33 37 O 0.35066165476154 0.26727999900514 0.73301321723206 15.999 > 33 38 O 0.85066165476154 0.26727999900514 0.73301321723206 15.999 > 33 39 O 0.35066165476154 0.76727999900514 0.73301321723206 15.999 > 33 40 O 0.85066165476154 0.76727999900514 0.73301321723206 15.999 > 33 41 O 0.14933834523846 0.23272000099486 0.26698678276794 15.999 > 41 42 O 0.64933834523846 0.23272000099486 0.26698678276794 15.999 > 41 43 O 0.14933834523846 0.73272000099486 0.26698678276794 15.999 > 41 44 O 0.64933834523846 0.73272000099486 0.26698678276794 15.999 > 41 45 O 0.14933834523846 0.23272000099486 0.76698678276794 15.999 > 41 46 O 0.64933834523846 0.23272000099486 0.76698678276794 15.999 > 41 47 O 0.14933834523846 0.73272000099486 0.76698678276794 15.999 > 41 48 O 0.64933834523846 0.73272000099486 0.76698678276794 15.999 > 41 49 O 0.14933834523846 0.26727999900514 0.01698678276794 15.999 > 49 50 O 0.64933834523846 0.26727999900514 0.01698678276794 15.999 > 49 51 O 0.14933834523846 0.76727999900514 0.01698678276794 15.999 > 49 52 O 0.64933834523846 0.76727999900514 0.01698678276794 15.999 > 49 53 O 0.14933834523846 0.26727999900514 0.51698678276794 15.999 > 49 54 O 0.64933834523846 0.26727999900514 0.51698678276794 15.999 > 49 55 O 0.14933834523846 0.76727999900514 0.51698678276794 15.999 > 49 56 O 0.64933834523846 0.76727999900514 0.51698678276794 15.999 > 49 57 O 0.35066165476154 0.23272000099486 0.48301321723206 15.999 > 57 58 O 0.85066165476154 0.23272000099486 0.48301321723206 15.999 > 57 59 O 0.35066165476154 0.73272000099486 0.48301321723206 15.999 > 57 60 O 0.85066165476154 0.73272000099486 0.48301321723206 15.999 > 57 61 O 0.35066165476154 0.23272000099486 0.98301321723206 15.999 > 57 62 O 0.85066165476154 0.23272000099486 0.98301321723206 15.999 > 57 63 O 0.35066165476154 0.73272000099486 0.98301321723206 15.999 > 57 64 O 0.85066165476154 0.73272000099486 0.98301321723206 15.999 > 57 65 Cl 0.00000000000000 0.13938328230479 0.12500000000000 35.453 > 65 66 Cl 0.50000000000000 0.13938328230479 0.12500000000000 35.453 > 65 67 Cl 0.00000000000000 0.63938328230479 0.12500000000000 35.453 > 65 68 Cl 0.50000000000000 0.63938328230479 0.12500000000000 35.453 > 65 69 Cl 0.00000000000000 0.13938328230479 0.62500000000000 35.453 > 65 70 Cl 0.50000000000000 0.13938328230479 0.62500000000000 35.453 > 65 71 Cl 0.00000000000000 0.63938328230479 0.62500000000000 35.453 > 65 72 Cl 0.50000000000000 0.63938328230479 0.62500000000000 35.453 > 65 73 Cl 0.00000000000000 0.36061671769521 0.37500000000000 35.453 > 73 74 Cl 0.50000000000000 0.36061671769521 0.37500000000000 35.453 > 73 75 Cl 0.00000000000000 0.86061671769521 0.37500000000000 35.453 > 73 76 Cl 0.50000000000000 0.86061671769521 0.37500000000000 35.453 > 73 77 Cl 0.00000000000000 0.36061671769521 0.87500000000000 35.453 > 73 78 Cl 0.50000000000000 0.36061671769521 0.87500000000000 35.453 > 73 79 Cl 0.00000000000000 0.86061671769521 0.87500000000000 35.453 > 73 80 Cl 0.50000000000000 0.86061671769521 0.87500000000000 35.453 > 73 81 Sb 0.39835975491266 0.14905230617423 0.35090231525895 121.760 > 81 82 Sb 0.89835975491266 0.14905230617423 0.35090231525895 121.760 > 81 83 Sb 0.39835975491266 0.64905230617423 0.35090231525895 121.760 > 81 84 Sb 0.89835975491266 0.64905230617423 0.35090231525895 121.760 > 81 85 Sb 0.39835975491266 0.14905230617423 0.85090231525895 121.760 > 81 86 Sb 0.89835975491266 0.14905230617423 0.85090231525895 121.760 > 81 87 Sb 0.39835975491266 0.64905230617423 0.85090231525895 121.760 > 81 88 Sb 0.89835975491266 0.64905230617423 0.85090231525895 121.760 > 81 89 Sb 0.25000000000000 0.09385799216911 0.12500000000000 121.760 > 89 90 Sb 0.75000000000000 0.09385799216911 0.12500000000000 121.760 > 89 91 Sb 0.25000000000000 0.59385799216911 0.12500000000000 121.760 > 89 92 Sb 0.75000000000000 0.59385799216911 0.12500000000000 121.760 > 89 93 Sb 0.25000000000000 0.09385799216911 0.62500000000000 121.760 > 89 94 Sb 0.75000000000000 0.09385799216911 0.62500000000000 121.760 > 89 95 Sb 0.25000000000000 0.59385799216911 0.62500000000000 121.760 > 89 96 Sb 0.75000000000000 0.59385799216911 0.62500000000000 121.760 > 89 97 Sb 0.25000000000000 0.40614200783089 0.37500000000000 121.760 > 97 98 Sb 0.75000000000000 0.40614200783089 0.37500000000000 121.760 > 97 99 Sb 0.25000000000000 0.90614200783089 0.37500000000000 121.760 > 97 100 Sb 0.75000000000000 0.90614200783089 0.37500000000000 121.760 > 97 101 Sb 0.25000000000000 0.40614200783089 0.87500000000000 121.760 > 97 102 Sb 0.75000000000000 0.40614200783089 0.87500000000000 121.760 > 97 103 Sb 0.25000000000000 0.90614200783089 0.87500000000000 121.760 > 97 104 Sb 0.75000000000000 0.90614200783089 0.87500000000000 121.760 > 97 105 Sb 0.10164024508734 0.14905230617423 0.39909768474105 121.760 > 105 106 Sb 0.60164024508734 0.14905230617423 0.39909768474105 121.760 > 105 107 Sb 0.10164024508734 0.64905230617423 0.39909768474105 121.760 > 105 108 Sb 0.60164024508734 0.64905230617423 0.39909768474105 121.760 > 105 109 Sb 0.10164024508734 0.14905230617423 0.89909768474105 121.760 > 105 110 Sb 0.60164024508734 0.14905230617423 0.89909768474105 121.760 > 105 111 Sb 0.10164024508734 0.64905230617423 0.89909768474105 121.760 > 105 112 Sb 0.60164024508734 0.64905230617423 0.89909768474105 121.760 > 105 113 Sb 0.10164024508734 0.35094769382577 0.14909768474105 121.760 > 113 114 Sb 0.60164024508734 0.35094769382577 0.14909768474105 121.760 > 113 115 Sb 0.10164024508734 0.85094769382577 0.14909768474105 121.760 > 113 116 Sb 0.60164024508734 0.85094769382577 0.14909768474105 121.760 > 113 117 Sb 0.10164024508734 0.35094769382577 0.64909768474105 121.760 > 113 118 Sb 0.60164024508734 0.35094769382577 0.64909768474105 121.760 > 113 119 Sb 0.10164024508734 0.85094769382577 0.64909768474105 121.760 > 113 120 Sb 0.60164024508734 0.85094769382577 0.64909768474105 121.760 > 113 121 Sb 0.39835975491266 0.35094769382577 0.10090231525895 121.760 > 121 122 Sb 0.89835975491266 0.35094769382577 0.10090231525895 121.760 > 121 123 Sb 0.39835975491266 0.85094769382577 0.10090231525895 121.760 > 121 124 Sb 0.89835975491266 0.85094769382577 0.10090231525895 121.760 > 121 125 Sb 0.39835975491266 0.35094769382577 0.60090231525895 121.760 > 121 126 Sb 0.89835975491266 0.35094769382577 0.60090231525895 121.760 > 121 127 Sb 0.39835975491266 0.85094769382577 0.60090231525895 121.760 > 121 128 Sb 0.89835975491266 0.85094769382577 0.60090231525895 121.760 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6254713 0.0000000 -0.0105754 0.0000000 5.2697849 0.0000000 -0.0105744 0.0000000 5.6532648 -------------------------- Born effective charges -------------------------- 1 O -3.0747075 1.4693711 -0.6632402 1.7122097 -2.4337012 0.0325841 -0.5171251 -0.7659259 -2.4761401 2 O -3.0747075 -1.4693711 -0.6632402 -1.7122097 -2.4337012 -0.0325841 -0.5171251 0.7659259 -2.4761401 3 O -3.0747075 1.4693711 -0.6632402 1.7122097 -2.4337012 0.0325841 -0.5171251 -0.7659259 -2.4761401 4 O -3.0747075 -1.4693711 -0.6632402 -1.7122097 -2.4337012 -0.0325841 -0.5171251 0.7659259 -2.4761401 5 O -1.9446520 -0.3758237 0.2552875 -0.1615072 -2.0466983 0.7493907 0.2837282 1.4427009 -3.1303143 6 O -1.9446520 -0.3758237 0.2552875 -0.1615072 -2.0466983 0.7493907 0.2837282 1.4427009 -3.1303143 7 O -1.9446520 0.3758237 0.2552875 0.1615072 -2.0466983 -0.7493907 0.2837282 -1.4427009 -3.1303143 8 O -1.9446520 0.3758237 0.2552875 0.1615072 -2.0466983 -0.7493907 0.2837282 -1.4427009 -3.1303143 9 Cl -2.1361499 0.0000000 0.2091560 0.0000000 -1.9379382 0.0000000 0.1174124 0.0000000 -1.7063793 10 Cl -2.1361499 0.0000000 0.2091560 0.0000000 -1.9379382 0.0000000 0.1174124 0.0000000 -1.7063793 11 Sb 4.0836975 0.8784579 0.1734077 0.6453375 3.4784258 0.5540990 0.1701839 0.3659193 3.9938857 12 Sb 4.0074737 0.0000000 0.2599341 0.0000000 3.9418856 0.0000000 0.0090136 0.0000000 4.9315167 13 Sb 4.0074737 0.0000000 0.2599341 0.0000000 3.9418856 0.0000000 0.0090136 0.0000000 4.9315167 14 Sb 4.0836975 -0.8784579 0.1734077 -0.6453375 3.4784258 -0.5540990 0.1701839 -0.3659193 3.9938857 15 Sb 4.0836975 0.8784579 0.1734077 0.6453375 3.4784258 0.5540990 0.1701839 0.3659193 3.9938857 16 Sb 4.0836975 -0.8784579 0.1734077 -0.6453375 3.4784258 -0.5540990 0.1701839 -0.3659193 3.9938857 ---------------------------------------------------------------------------- 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 33, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 89, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000030 (yyy) 0.00000030 (yyy) 0.00000030 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xy) 0.00000005 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:17:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:17:13]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.357120232997861 0.000000000000000 0.000000000000000 b 0.000000000000000 5.402729130000000 0.000000000000000 c -0.365584153387224 0.000000000000000 5.580585167630618 Atomic positions (fractional): 1 O 0.62209469811131 0.91916157697584 0.09663325072844 15.999 2 O 0.37790530188869 0.91916157697584 0.40336674927156 15.999 3 O 0.37790530188869 0.08083842302416 0.90336674927156 15.999 4 O 0.62209469811131 0.08083842302416 0.59663325072844 15.999 5 O 0.70132330952308 0.53455999801028 0.46602643446412 15.999 6 O 0.29867669047692 0.46544000198972 0.53397356553588 15.999 7 O 0.29867669047692 0.53455999801028 0.03397356553588 15.999 8 O 0.70132330952308 0.46544000198972 0.96602643446412 15.999 9 Cl 0.00000000000000 0.27876656460958 0.25000000000000 35.453 10 Cl 0.00000000000000 0.72123343539042 0.75000000000000 35.453 11 Sb 0.79671950982531 0.29810461234846 0.70180463051789 121.760 12 Sb 0.50000000000000 0.18771598433821 0.25000000000000 121.760 13 Sb 0.50000000000000 0.81228401566179 0.75000000000000 121.760 14 Sb 0.20328049017469 0.29810461234846 0.79819536948211 121.760 15 Sb 0.20328049017469 0.70189538765154 0.29819536948211 121.760 16 Sb 0.79671950982531 0.70189538765154 0.20180463051789 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.714240465995722 0.000000000000000 0.000000000000000 b 0.000000000000000 10.805458260000000 0.000000000000000 c -0.731168306774448 0.000000000000000 11.161170335261236 Atomic positions (fractional): 1 O 0.31104734905566 0.45958078848792 0.04831662536422 15.999 > 1 2 O 0.81104734905566 0.45958078848792 0.04831662536422 15.999 > 1 3 O 0.31104734905566 0.95958078848792 0.04831662536422 15.999 > 1 4 O 0.81104734905566 0.95958078848792 0.04831662536422 15.999 > 1 5 O 0.31104734905566 0.45958078848792 0.54831662536422 15.999 > 1 6 O 0.81104734905566 0.45958078848792 0.54831662536422 15.999 > 1 7 O 0.31104734905566 0.95958078848792 0.54831662536422 15.999 > 1 8 O 0.81104734905566 0.95958078848792 0.54831662536422 15.999 > 1 9 O 0.18895265094434 0.45958078848792 0.20168337463578 15.999 > 9 10 O 0.68895265094434 0.45958078848792 0.20168337463578 15.999 > 9 11 O 0.18895265094434 0.95958078848792 0.20168337463578 15.999 > 9 12 O 0.68895265094434 0.95958078848792 0.20168337463578 15.999 > 9 13 O 0.18895265094434 0.45958078848792 0.70168337463578 15.999 > 9 14 O 0.68895265094434 0.45958078848792 0.70168337463578 15.999 > 9 15 O 0.18895265094434 0.95958078848792 0.70168337463578 15.999 > 9 16 O 0.68895265094434 0.95958078848792 0.70168337463578 15.999 > 9 17 O 0.18895265094434 0.04041921151208 0.45168337463578 15.999 > 17 18 O 0.68895265094434 0.04041921151208 0.45168337463578 15.999 > 17 19 O 0.18895265094434 0.54041921151208 0.45168337463578 15.999 > 17 20 O 0.68895265094434 0.54041921151208 0.45168337463578 15.999 > 17 21 O 0.18895265094434 0.04041921151208 0.95168337463578 15.999 > 17 22 O 0.68895265094434 0.04041921151208 0.95168337463578 15.999 > 17 23 O 0.18895265094434 0.54041921151208 0.95168337463578 15.999 > 17 24 O 0.68895265094434 0.54041921151208 0.95168337463578 15.999 > 17 25 O 0.31104734905566 0.04041921151208 0.29831662536422 15.999 > 25 26 O 0.81104734905566 0.04041921151208 0.29831662536422 15.999 > 25 27 O 0.31104734905566 0.54041921151208 0.29831662536422 15.999 > 25 28 O 0.81104734905566 0.54041921151208 0.29831662536422 15.999 > 25 29 O 0.31104734905566 0.04041921151208 0.79831662536422 15.999 > 25 30 O 0.81104734905566 0.04041921151208 0.79831662536422 15.999 > 25 31 O 0.31104734905566 0.54041921151208 0.79831662536422 15.999 > 25 32 O 0.81104734905566 0.54041921151208 0.79831662536422 15.999 > 25 33 O 0.35066165476154 0.26727999900514 0.23301321723206 15.999 > 33 34 O 0.85066165476154 0.26727999900514 0.23301321723206 15.999 > 33 35 O 0.35066165476154 0.76727999900514 0.23301321723206 15.999 > 33 36 O 0.85066165476154 0.76727999900514 0.23301321723206 15.999 > 33 37 O 0.35066165476154 0.26727999900514 0.73301321723206 15.999 > 33 38 O 0.85066165476154 0.26727999900514 0.73301321723206 15.999 > 33 39 O 0.35066165476154 0.76727999900514 0.73301321723206 15.999 > 33 40 O 0.85066165476154 0.76727999900514 0.73301321723206 15.999 > 33 41 O 0.14933834523846 0.23272000099486 0.26698678276794 15.999 > 41 42 O 0.64933834523846 0.23272000099486 0.26698678276794 15.999 > 41 43 O 0.14933834523846 0.73272000099486 0.26698678276794 15.999 > 41 44 O 0.64933834523846 0.73272000099486 0.26698678276794 15.999 > 41 45 O 0.14933834523846 0.23272000099486 0.76698678276794 15.999 > 41 46 O 0.64933834523846 0.23272000099486 0.76698678276794 15.999 > 41 47 O 0.14933834523846 0.73272000099486 0.76698678276794 15.999 > 41 48 O 0.64933834523846 0.73272000099486 0.76698678276794 15.999 > 41 49 O 0.14933834523846 0.26727999900514 0.01698678276794 15.999 > 49 50 O 0.64933834523846 0.26727999900514 0.01698678276794 15.999 > 49 51 O 0.14933834523846 0.76727999900514 0.01698678276794 15.999 > 49 52 O 0.64933834523846 0.76727999900514 0.01698678276794 15.999 > 49 53 O 0.14933834523846 0.26727999900514 0.51698678276794 15.999 > 49 54 O 0.64933834523846 0.26727999900514 0.51698678276794 15.999 > 49 55 O 0.14933834523846 0.76727999900514 0.51698678276794 15.999 > 49 56 O 0.64933834523846 0.76727999900514 0.51698678276794 15.999 > 49 57 O 0.35066165476154 0.23272000099486 0.48301321723206 15.999 > 57 58 O 0.85066165476154 0.23272000099486 0.48301321723206 15.999 > 57 59 O 0.35066165476154 0.73272000099486 0.48301321723206 15.999 > 57 60 O 0.85066165476154 0.73272000099486 0.48301321723206 15.999 > 57 61 O 0.35066165476154 0.23272000099486 0.98301321723206 15.999 > 57 62 O 0.85066165476154 0.23272000099486 0.98301321723206 15.999 > 57 63 O 0.35066165476154 0.73272000099486 0.98301321723206 15.999 > 57 64 O 0.85066165476154 0.73272000099486 0.98301321723206 15.999 > 57 65 Cl 0.00000000000000 0.13938328230479 0.12500000000000 35.453 > 65 66 Cl 0.50000000000000 0.13938328230479 0.12500000000000 35.453 > 65 67 Cl 0.00000000000000 0.63938328230479 0.12500000000000 35.453 > 65 68 Cl 0.50000000000000 0.63938328230479 0.12500000000000 35.453 > 65 69 Cl 0.00000000000000 0.13938328230479 0.62500000000000 35.453 > 65 70 Cl 0.50000000000000 0.13938328230479 0.62500000000000 35.453 > 65 71 Cl 0.00000000000000 0.63938328230479 0.62500000000000 35.453 > 65 72 Cl 0.50000000000000 0.63938328230479 0.62500000000000 35.453 > 65 73 Cl 0.00000000000000 0.36061671769521 0.37500000000000 35.453 > 73 74 Cl 0.50000000000000 0.36061671769521 0.37500000000000 35.453 > 73 75 Cl 0.00000000000000 0.86061671769521 0.37500000000000 35.453 > 73 76 Cl 0.50000000000000 0.86061671769521 0.37500000000000 35.453 > 73 77 Cl 0.00000000000000 0.36061671769521 0.87500000000000 35.453 > 73 78 Cl 0.50000000000000 0.36061671769521 0.87500000000000 35.453 > 73 79 Cl 0.00000000000000 0.86061671769521 0.87500000000000 35.453 > 73 80 Cl 0.50000000000000 0.86061671769521 0.87500000000000 35.453 > 73 81 Sb 0.39835975491266 0.14905230617423 0.35090231525895 121.760 > 81 82 Sb 0.89835975491266 0.14905230617423 0.35090231525895 121.760 > 81 83 Sb 0.39835975491266 0.64905230617423 0.35090231525895 121.760 > 81 84 Sb 0.89835975491266 0.64905230617423 0.35090231525895 121.760 > 81 85 Sb 0.39835975491266 0.14905230617423 0.85090231525895 121.760 > 81 86 Sb 0.89835975491266 0.14905230617423 0.85090231525895 121.760 > 81 87 Sb 0.39835975491266 0.64905230617423 0.85090231525895 121.760 > 81 88 Sb 0.89835975491266 0.64905230617423 0.85090231525895 121.760 > 81 89 Sb 0.25000000000000 0.09385799216911 0.12500000000000 121.760 > 89 90 Sb 0.75000000000000 0.09385799216911 0.12500000000000 121.760 > 89 91 Sb 0.25000000000000 0.59385799216911 0.12500000000000 121.760 > 89 92 Sb 0.75000000000000 0.59385799216911 0.12500000000000 121.760 > 89 93 Sb 0.25000000000000 0.09385799216911 0.62500000000000 121.760 > 89 94 Sb 0.75000000000000 0.09385799216911 0.62500000000000 121.760 > 89 95 Sb 0.25000000000000 0.59385799216911 0.62500000000000 121.760 > 89 96 Sb 0.75000000000000 0.59385799216911 0.62500000000000 121.760 > 89 97 Sb 0.25000000000000 0.40614200783089 0.37500000000000 121.760 > 97 98 Sb 0.75000000000000 0.40614200783089 0.37500000000000 121.760 > 97 99 Sb 0.25000000000000 0.90614200783089 0.37500000000000 121.760 > 97 100 Sb 0.75000000000000 0.90614200783089 0.37500000000000 121.760 > 97 101 Sb 0.25000000000000 0.40614200783089 0.87500000000000 121.760 > 97 102 Sb 0.75000000000000 0.40614200783089 0.87500000000000 121.760 > 97 103 Sb 0.25000000000000 0.90614200783089 0.87500000000000 121.760 > 97 104 Sb 0.75000000000000 0.90614200783089 0.87500000000000 121.760 > 97 105 Sb 0.10164024508734 0.14905230617423 0.39909768474105 121.760 > 105 106 Sb 0.60164024508734 0.14905230617423 0.39909768474105 121.760 > 105 107 Sb 0.10164024508734 0.64905230617423 0.39909768474105 121.760 > 105 108 Sb 0.60164024508734 0.64905230617423 0.39909768474105 121.760 > 105 109 Sb 0.10164024508734 0.14905230617423 0.89909768474105 121.760 > 105 110 Sb 0.60164024508734 0.14905230617423 0.89909768474105 121.760 > 105 111 Sb 0.10164024508734 0.64905230617423 0.89909768474105 121.760 > 105 112 Sb 0.60164024508734 0.64905230617423 0.89909768474105 121.760 > 105 113 Sb 0.10164024508734 0.35094769382577 0.14909768474105 121.760 > 113 114 Sb 0.60164024508734 0.35094769382577 0.14909768474105 121.760 > 113 115 Sb 0.10164024508734 0.85094769382577 0.14909768474105 121.760 > 113 116 Sb 0.60164024508734 0.85094769382577 0.14909768474105 121.760 > 113 117 Sb 0.10164024508734 0.35094769382577 0.64909768474105 121.760 > 113 118 Sb 0.60164024508734 0.35094769382577 0.64909768474105 121.760 > 113 119 Sb 0.10164024508734 0.85094769382577 0.64909768474105 121.760 > 113 120 Sb 0.60164024508734 0.85094769382577 0.64909768474105 121.760 > 113 121 Sb 0.39835975491266 0.35094769382577 0.10090231525895 121.760 > 121 122 Sb 0.89835975491266 0.35094769382577 0.10090231525895 121.760 > 121 123 Sb 0.39835975491266 0.85094769382577 0.10090231525895 121.760 > 121 124 Sb 0.89835975491266 0.85094769382577 0.10090231525895 121.760 > 121 125 Sb 0.39835975491266 0.35094769382577 0.60090231525895 121.760 > 121 126 Sb 0.89835975491266 0.35094769382577 0.60090231525895 121.760 > 121 127 Sb 0.39835975491266 0.85094769382577 0.60090231525895 121.760 > 121 128 Sb 0.89835975491266 0.85094769382577 0.60090231525895 121.760 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6254713 0.0000000 -0.0105754 0.0000000 5.2697849 0.0000000 -0.0105744 0.0000000 5.6532648 -------------------------- Born effective charges -------------------------- 1 O -3.0747075 1.4693711 -0.6632402 1.7122097 -2.4337012 0.0325841 -0.5171251 -0.7659259 -2.4761401 2 O -3.0747075 -1.4693711 -0.6632402 -1.7122097 -2.4337012 -0.0325841 -0.5171251 0.7659259 -2.4761401 3 O -3.0747075 1.4693711 -0.6632402 1.7122097 -2.4337012 0.0325841 -0.5171251 -0.7659259 -2.4761401 4 O -3.0747075 -1.4693711 -0.6632402 -1.7122097 -2.4337012 -0.0325841 -0.5171251 0.7659259 -2.4761401 5 O -1.9446520 -0.3758237 0.2552875 -0.1615072 -2.0466983 0.7493907 0.2837282 1.4427009 -3.1303143 6 O -1.9446520 -0.3758237 0.2552875 -0.1615072 -2.0466983 0.7493907 0.2837282 1.4427009 -3.1303143 7 O -1.9446520 0.3758237 0.2552875 0.1615072 -2.0466983 -0.7493907 0.2837282 -1.4427009 -3.1303143 8 O -1.9446520 0.3758237 0.2552875 0.1615072 -2.0466983 -0.7493907 0.2837282 -1.4427009 -3.1303143 9 Cl -2.1361499 0.0000000 0.2091560 0.0000000 -1.9379382 0.0000000 0.1174124 0.0000000 -1.7063793 10 Cl -2.1361499 0.0000000 0.2091560 0.0000000 -1.9379382 0.0000000 0.1174124 0.0000000 -1.7063793 11 Sb 4.0836975 0.8784579 0.1734077 0.6453375 3.4784258 0.5540990 0.1701839 0.3659193 3.9938857 12 Sb 4.0074737 0.0000000 0.2599341 0.0000000 3.9418856 0.0000000 0.0090136 0.0000000 4.9315167 13 Sb 4.0074737 0.0000000 0.2599341 0.0000000 3.9418856 0.0000000 0.0090136 0.0000000 4.9315167 14 Sb 4.0836975 -0.8784579 0.1734077 -0.6453375 3.4784258 -0.5540990 0.1701839 -0.3659193 3.9938857 15 Sb 4.0836975 0.8784579 0.1734077 0.6453375 3.4784258 0.5540990 0.1701839 0.3659193 3.9938857 16 Sb 4.0836975 -0.8784579 0.1734077 -0.6453375 3.4784258 -0.5540990 0.1701839 -0.3659193 3.9938857 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000030 (yyy) 0.00000030 (yyy) 0.00000030 (yyy) 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 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 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 1.394 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.394 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 11.011 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 12.101 ( 0.000 0.000 0.000) 0.000 12.307 ( 0.000 0.000 0.000) 0.000 13.121 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.672 ( 0.000 0.000 0.000) 0.000 15.871 ( 0.000 0.000 0.000) 0.000 16.460 ( 0.000 0.000 0.000) 0.000 16.936 ( 0.000 0.000 0.000) 0.000 17.587 ( 0.000 0.000 0.000) 0.000 17.591 ( 0.000 0.000 0.000) 0.000 19.496 ( 0.000 0.000 0.000) 0.000 21.094 ( 0.000 0.000 0.000) 0.000 21.414 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 16.441 0.000 -14.979) 22.242 0.371 ( 16.059 0.000 1.896) 16.170 0.653 ( 29.071 0.000 3.567) 29.289 1.363 ( -8.121 0.000 0.558) 8.140 1.667 ( -5.392 0.000 -1.472) 5.589 1.844 ( 2.731 0.000 12.429) 12.726 2.423 ( 7.707 0.000 4.212) 8.782 2.837 ( 1.695 0.000 -0.737) 1.849 2.958 ( -11.011 0.000 14.387) 18.118 3.201 ( 6.608 0.000 3.644) 7.546 3.251 ( -10.082 0.000 -9.262) 13.691 3.260 ( -5.555 0.000 -2.584) 6.127 3.458 ( 2.060 0.000 -1.454) 2.521 3.675 ( 2.241 0.000 3.318) 4.004 3.681 ( -3.424 0.000 0.545) 3.468 3.691 ( -0.008 0.000 -0.053) 0.053 3.912 ( -6.560 0.000 -0.317) 6.568 3.923 ( -4.138 0.000 -0.178) 4.142 4.319 ( 10.265 0.000 8.816) 13.531 4.403 ( -0.940 0.000 -1.380) 1.670 4.801 ( -0.256 0.000 0.929) 0.963 4.992 ( -4.539 0.000 -5.751) 7.326 5.379 ( 6.690 0.000 -13.439) 15.012 5.524 ( 2.426 0.000 -8.618) 8.953 5.608 ( 3.751 0.000 0.348) 3.767 6.170 ( 3.142 0.000 -0.144) 3.146 6.550 ( -0.849 0.000 -0.277) 0.893 6.889 ( -0.386 0.000 0.133) 0.408 7.037 ( -1.583 0.000 3.538) 3.877 7.638 ( -3.099 0.000 0.762) 3.191 8.258 ( 2.543 0.000 -1.022) 2.741 8.685 ( -1.050 0.000 0.174) 1.064 8.725 ( -5.084 0.000 78.660) 78.824 11.014 ( 0.159 0.000 1.546) 1.554 11.675 ( -0.155 0.000 -0.778) 0.794 12.092 ( -0.751 0.000 0.802) 1.098 12.307 ( -0.023 0.000 -0.277) 0.278 13.089 ( -2.491 0.000 -1.648) 2.987 13.660 ( -1.196 0.000 7.197) 7.295 13.702 ( -0.184 0.000 9.966) 9.968 16.466 ( 0.396 0.000 0.383) 0.551 16.933 ( -0.162 0.000 -1.010) 1.022 17.509 ( 3.248 0.000 -40.631) 40.761 17.583 ( -0.835 0.000 2.658) 2.786 18.965 ( -0.109 0.000 -0.227) 0.251 19.496 ( 0.074 0.000 -1.432) 1.434 21.054 ( -2.988 0.000 1.244) 3.236 21.450 ( 2.690 0.000 -1.371) 3.019 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 9.509 0.000 -6.506) 11.522 0.646 ( 7.846 0.000 1.215) 7.939 1.132 ( 3.803 0.000 -5.979) 7.086 1.235 ( 6.162 0.000 7.033) 9.350 1.544 ( -4.316 0.000 -1.164) 4.470 1.908 ( 1.785 0.000 5.910) 6.173 2.625 ( 8.803 0.000 3.479) 9.465 2.631 ( -14.096 0.000 0.401) 14.102 2.853 ( -1.556 0.000 0.118) 1.560 3.098 ( -5.085 0.000 -2.757) 5.784 3.143 ( -1.208 0.000 -2.815) 3.064 3.408 ( 8.967 0.000 4.736) 10.141 3.515 ( 2.276 0.000 -0.376) 2.307 3.588 ( -4.885 0.000 -2.756) 5.609 3.684 ( -0.734 0.000 -0.799) 1.085 3.708 ( 1.399 0.000 1.504) 2.054 3.784 ( -4.841 0.000 -1.354) 5.027 3.822 ( -3.857 0.000 0.947) 3.972 4.382 ( -0.593 0.000 -1.007) 1.169 4.499 ( 4.639 0.000 4.474) 6.445 4.798 ( -0.165 0.000 0.612) 0.634 4.908 ( -2.317 0.000 -2.435) 3.361 5.473 ( 2.562 0.000 -1.689) 3.069 5.564 ( 1.509 0.000 -2.711) 3.103 5.679 ( 2.033 0.000 0.205) 2.043 6.241 ( 2.498 0.000 0.010) 2.498 6.533 ( -0.484 0.000 -0.206) 0.526 6.882 ( -0.228 0.000 0.189) 0.296 7.009 ( -0.973 0.000 0.515) 1.101 7.576 ( -2.054 0.000 0.382) 2.089 8.306 ( 1.497 0.000 -0.639) 1.628 8.663 ( -0.737 0.000 0.169) 0.756 8.726 ( -1.208 0.000 19.049) 19.088 11.020 ( 0.109 0.000 0.965) 0.971 11.671 ( -0.097 0.000 -0.479) 0.489 12.078 ( -0.494 0.000 0.481) 0.690 12.305 ( -0.050 0.000 -0.146) 0.154 13.038 ( -1.488 0.000 -1.040) 1.815 13.648 ( -0.489 0.000 2.607) 2.652 13.709 ( 0.071 0.000 1.380) 1.382 16.474 ( 0.235 0.000 0.238) 0.334 16.929 ( -0.099 0.000 -0.628) 0.636 17.524 ( 1.487 0.000 -12.638) 12.725 17.567 ( -0.953 0.000 3.799) 3.917 18.962 ( -0.105 0.000 0.414) 0.427 19.495 ( 0.045 0.000 -0.882) 0.883 21.002 ( -1.491 0.000 0.602) 1.608 21.496 ( 1.306 0.000 -0.681) 1.473 ======================= Grid point 5 (4/115) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 16.637 0.000) 16.637 0.465 ( 0.000 21.494 0.000) 21.494 0.723 ( 0.000 33.892 0.000) 33.892 1.393 ( 0.000 0.467 0.000) 0.467 1.792 ( 0.000 5.317 0.000) 5.317 1.804 ( 0.000 1.254 0.000) 1.254 2.135 ( 0.000 -11.724 0.000) 11.724 2.445 ( 0.000 1.674 0.000) 1.674 2.887 ( 0.000 4.643 0.000) 4.643 3.113 ( 0.000 -0.720 0.000) 0.720 3.163 ( 0.000 -13.733 0.000) 13.733 3.293 ( 0.000 -3.768 0.000) 3.768 3.413 ( 0.000 -1.870 0.000) 1.870 3.616 ( 0.000 10.177 0.000) 10.177 3.686 ( 0.000 -0.296 0.000) 0.296 3.870 ( 0.000 10.136 0.000) 10.136 3.871 ( 0.000 7.368 0.000) 7.368 4.116 ( 0.000 -1.351 0.000) 1.351 4.313 ( 0.000 1.849 0.000) 1.849 4.378 ( 0.000 -2.811 0.000) 2.811 4.567 ( 0.000 3.785 0.000) 3.785 4.806 ( 0.000 -2.512 0.000) 2.512 5.174 ( 0.000 8.120 0.000) 8.120 5.321 ( 0.000 -10.002 0.000) 10.002 5.686 ( 0.000 6.360 0.000) 6.360 6.120 ( 0.000 -1.195 0.000) 1.195 6.537 ( 0.000 -2.387 0.000) 2.387 6.877 ( 0.000 -1.417 0.000) 1.417 6.964 ( 0.000 -4.639 0.000) 4.639 8.205 ( 0.000 -1.882 0.000) 1.882 8.393 ( 0.000 -0.196 0.000) 0.196 8.552 ( 0.000 -2.182 0.000) 2.182 8.929 ( 0.000 3.423 0.000) 3.423 11.025 ( 0.000 1.251 0.000) 1.251 11.685 ( 0.000 0.577 0.000) 0.577 12.213 ( 0.000 -3.325 0.000) 3.325 12.294 ( 0.000 -1.262 0.000) 1.262 13.122 ( 0.000 -1.103 0.000) 1.103 13.318 ( 0.000 -11.108 0.000) 11.108 13.861 ( 0.000 11.855 0.000) 11.855 15.643 ( 0.000 -16.275 0.000) 16.275 16.673 ( 0.000 14.710 0.000) 14.710 17.551 ( 0.000 -3.663 0.000) 3.663 17.592 ( 0.000 0.548 0.000) 0.548 19.010 ( 0.000 -5.576 0.000) 5.576 19.443 ( 0.000 -4.722 0.000) 4.722 21.109 ( 0.000 1.449 0.000) 1.449 21.752 ( 0.000 0.542 0.000) 0.542 ======================= Grid point 6 (5/115) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 9.621 10.997 -3.462) 15.016 0.540 ( 11.736 14.371 -4.504) 19.093 0.990 ( 14.431 22.671 0.261) 26.876 1.360 ( -6.586 0.917 -1.685) 6.859 1.750 ( -3.194 7.050 -0.960) 7.799 1.843 ( 2.396 0.087 11.336) 11.587 2.391 ( 9.757 -4.869 5.272) 12.112 2.668 ( 1.550 -12.882 6.589) 14.552 2.958 ( -4.302 1.419 2.005) 4.954 3.100 ( 7.735 -10.326 1.806) 13.028 3.176 ( 0.221 -1.778 -4.152) 4.522 3.277 ( -2.739 -1.837 -0.493) 3.335 3.434 ( 2.781 -0.896 -0.391) 2.947 3.678 ( 0.634 0.532 0.017) 0.828 3.740 ( 1.810 5.821 5.134) 7.970 3.835 ( -1.639 10.194 0.293) 10.329 3.946 ( 1.503 3.394 0.203) 3.718 3.966 ( -5.129 2.275 0.993) 5.698 4.267 ( 2.238 -3.298 -0.858) 4.077 4.386 ( 0.029 -1.675 -0.937) 1.920 4.689 ( 1.472 -13.250 -5.615) 14.466 4.803 ( 2.273 -0.956 0.537) 2.524 5.208 ( 4.232 -0.389 -5.044) 6.596 5.365 ( 2.557 -7.693 1.044) 8.174 5.765 ( 5.721 6.555 -2.737) 9.121 6.155 ( 2.737 -1.355 0.087) 3.055 6.509 ( -2.224 -2.680 1.612) 3.838 6.871 ( -0.385 -1.297 -0.614) 1.486 6.968 ( -0.191 -5.090 1.557) 5.327 8.062 ( -11.974 16.257 -18.061) 27.090 8.271 ( 1.270 2.264 -6.585) 7.078 8.621 ( 1.339 -4.021 14.185) 14.805 8.796 ( -8.323 4.707 45.971) 46.955 11.030 ( 0.294 1.433 1.663) 2.215 11.683 ( -0.165 0.571 -0.789) 0.988 12.137 ( -2.923 1.205 1.583) 3.535 12.294 ( 0.015 -1.228 -0.649) 1.389 13.139 ( -1.622 2.017 -3.067) 4.013 13.453 ( 6.143 -14.834 10.933) 19.425 13.752 ( -5.485 5.995 -1.086) 8.197 16.114 ( 16.883 -31.389 -3.655) 35.828 16.827 ( 12.338 6.561 -18.828) 23.447 17.529 ( -0.023 -1.673 -13.083) 13.189 17.668 ( 3.919 3.239 20.198) 20.828 18.833 ( -11.013 -5.997 -4.274) 13.248 19.409 ( -1.518 -7.119 -0.610) 7.305 21.089 ( -1.713 2.925 1.532) 3.720 21.613 ( -5.136 7.582 -2.936) 9.617 ======================= Grid point 7 (6/115) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 14.221 6.531 -0.691) 15.664 0.800 ( 11.017 10.829 -2.643) 15.672 1.118 ( -4.625 -2.174 0.437) 5.129 1.209 ( -4.926 6.728 -2.525) 8.713 1.733 ( 2.490 12.682 -0.067) 12.925 1.899 ( 1.444 -0.650 5.467) 5.692 2.529 ( -6.910 -8.691 2.396) 11.358 2.597 ( 4.294 -3.065 0.523) 5.301 2.886 ( 0.387 3.499 1.204) 3.720 3.116 ( -5.288 1.147 -2.620) 6.012 3.134 ( -0.706 -0.470 -0.527) 0.998 3.388 ( 8.458 -4.509 4.269) 10.492 3.502 ( 2.677 0.577 -1.770) 3.261 3.672 ( -2.387 7.174 -0.424) 7.573 3.686 ( -2.204 2.480 -2.819) 4.354 3.806 ( -4.077 2.920 2.752) 5.720 3.822 ( -1.246 3.418 -1.009) 3.776 3.940 ( -2.844 13.632 -1.111) 13.970 4.377 ( 0.102 -0.715 -0.342) 0.799 4.446 ( 7.776 -6.678 7.069) 12.451 4.640 ( -3.184 -14.735 -4.039) 15.607 4.833 ( 0.029 -2.864 -0.500) 2.908 5.319 ( 5.028 -10.070 -3.036) 11.658 5.395 ( -0.291 -6.077 0.921) 6.153 5.859 ( 2.602 8.741 -1.382) 9.225 6.214 ( 2.011 -2.322 0.026) 3.072 6.467 ( -1.430 -4.006 0.976) 4.364 6.863 ( -0.239 -1.210 -0.060) 1.235 6.960 ( -0.425 -4.573 0.303) 4.603 7.873 ( -4.076 20.223 -3.811) 20.979 8.306 ( 1.331 0.068 -1.246) 1.824 8.647 ( 0.590 -1.328 -2.021) 2.489 8.729 ( -2.746 0.077 20.008) 20.196 11.038 ( 0.190 1.698 0.971) 1.966 11.678 ( -0.102 0.550 -0.469) 0.731 12.102 ( -0.769 1.115 0.633) 1.495 12.293 ( -0.039 -1.196 -0.177) 1.209 13.092 ( -1.486 3.170 -1.306) 3.737 13.549 ( 2.144 -7.075 5.945) 9.487 13.666 ( -2.300 -3.208 -2.993) 4.953 16.274 ( 2.305 -19.505 0.517) 19.647 16.984 ( 3.762 3.685 -8.356) 9.877 17.517 ( 0.062 -1.171 -4.559) 4.708 17.765 ( 2.335 16.620 7.735) 18.480 18.656 ( -4.327 -21.682 -1.890) 22.190 19.389 ( -0.440 -9.387 -0.379) 9.405 21.059 ( -0.913 4.934 0.748) 5.073 21.565 ( -0.402 4.555 -1.199) 4.728 ======================= Grid point 10 (7/115) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 13.074 0.000) 13.074 0.859 ( 0.000 16.179 0.000) 16.179 1.366 ( 0.000 27.763 0.000) 27.763 1.440 ( 0.000 4.481 0.000) 4.481 1.840 ( 0.000 2.340 0.000) 2.340 1.912 ( 0.000 -5.625 0.000) 5.625 1.932 ( 0.000 4.407 0.000) 4.407 2.457 ( 0.000 -0.126 0.000) 0.126 2.861 ( 0.000 -14.396 0.000) 14.396 2.950 ( 0.000 0.902 0.000) 0.902 3.061 ( 0.000 -4.819 0.000) 4.819 3.230 ( 0.000 -1.178 0.000) 1.178 3.468 ( 0.000 6.505 0.000) 6.505 3.679 ( 0.000 -0.429 0.000) 0.429 3.808 ( 0.000 7.057 0.000) 7.057 3.932 ( 0.000 -2.678 0.000) 2.678 4.093 ( 0.000 8.583 0.000) 8.583 4.099 ( 0.000 3.505 0.000) 3.505 4.323 ( 0.000 -1.675 0.000) 1.675 4.403 ( 0.000 5.174 0.000) 5.174 4.675 ( 0.000 7.136 0.000) 7.136 4.762 ( 0.000 -1.992 0.000) 1.992 5.122 ( 0.000 -8.821 0.000) 8.821 5.354 ( 0.000 8.796 0.000) 8.796 5.788 ( 0.000 3.238 0.000) 3.238 6.097 ( 0.000 -0.649 0.000) 0.649 6.466 ( 0.000 -4.250 0.000) 4.250 6.827 ( 0.000 -8.399 0.000) 8.399 6.851 ( 0.000 -0.768 0.000) 0.768 8.158 ( 0.000 -2.475 0.000) 2.475 8.382 ( 0.000 -0.878 0.000) 0.878 8.483 ( 0.000 -4.470 0.000) 4.470 9.023 ( 0.000 5.285 0.000) 5.285 11.059 ( 0.000 1.946 0.000) 1.946 11.688 ( 0.000 -0.798 0.000) 0.798 12.144 ( 0.000 -2.496 0.000) 2.496 12.259 ( 0.000 -1.903 0.000) 1.903 13.097 ( 0.000 -10.223 0.000) 10.223 13.099 ( 0.000 -0.891 0.000) 0.891 14.093 ( 0.000 10.190 0.000) 10.190 15.323 ( 0.000 -13.822 0.000) 13.822 16.940 ( 0.000 10.201 0.000) 10.201 17.457 ( 0.000 -4.899 0.000) 4.899 17.614 ( 0.000 1.624 0.000) 1.624 18.852 ( 0.000 -9.245 0.000) 9.245 19.327 ( 0.000 -5.988 0.000) 5.988 21.149 ( 0.000 2.276 0.000) 2.276 21.760 ( 0.000 0.097 0.000) 0.097 ======================= Grid point 11 (8/115) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.743 14.576 -3.152) 14.932 0.859 ( 5.646 14.995 -0.342) 16.026 1.364 ( -4.309 8.660 -9.032) 13.234 1.504 ( 3.352 16.711 2.503) 17.227 1.848 ( 1.267 0.666 10.758) 10.853 1.924 ( 0.362 9.156 -1.231) 9.245 2.179 ( 14.570 -12.085 6.384) 19.978 2.523 ( 1.642 -3.196 1.289) 3.817 2.843 ( 5.387 -10.943 -0.201) 12.199 2.996 ( -0.731 0.241 1.382) 1.582 3.124 ( 6.238 -5.149 -1.412) 8.211 3.215 ( -1.479 -1.639 1.664) 2.765 3.494 ( 2.483 6.379 -0.774) 6.889 3.680 ( 0.223 -0.195 -0.396) 0.494 3.848 ( 0.185 1.317 3.121) 3.393 3.932 ( 3.614 -2.073 6.267) 7.526 4.026 ( -4.190 8.166 -4.294) 10.134 4.062 ( -4.395 6.188 0.475) 7.604 4.305 ( -1.786 1.913 -3.925) 4.718 4.383 ( 0.008 4.609 -0.818) 4.681 4.629 ( -3.889 4.098 -2.743) 6.280 4.779 ( 0.763 -1.657 1.531) 2.381 5.113 ( -0.556 -8.657 -8.209) 11.943 5.355 ( 0.653 5.565 1.303) 5.753 5.859 ( 5.499 1.999 -0.059) 5.851 6.134 ( 2.752 0.039 0.245) 2.764 6.442 ( -2.193 -3.809 1.655) 4.697 6.826 ( -0.560 -8.073 6.441) 10.343 6.851 ( 0.324 -0.972 -6.209) 6.293 8.178 ( 1.601 0.336 -1.900) 2.507 8.349 ( -1.447 2.526 -13.924) 14.225 8.528 ( 3.123 -4.912 7.104) 9.184 8.910 ( -9.885 6.191 21.762) 24.690 11.069 ( 0.705 2.257 1.717) 2.922 11.685 ( -0.216 -0.839 -0.642) 1.078 12.124 ( -1.330 -1.139 0.881) 1.960 12.260 ( 0.001 -1.954 -0.145) 1.959 13.078 ( -1.176 -8.182 -1.616) 8.423 13.230 ( 9.135 -5.710 2.274) 11.010 13.920 ( -12.423 9.184 -0.026) 15.449 15.546 ( 14.647 -22.461 -3.811) 27.084 16.986 ( 4.166 6.306 -14.900) 16.707 17.472 ( 1.234 -3.329 -4.623) 5.829 17.703 ( 7.706 1.275 20.442) 21.884 18.735 ( -10.865 -5.013 -4.754) 12.876 19.247 ( -5.511 -7.769 0.066) 9.525 21.160 ( 0.776 3.642 1.553) 4.035 21.698 ( -4.154 1.650 -2.617) 5.180 ======================= Grid point 12 (9/115) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 12.674 6.731 -1.243) 14.404 1.036 ( 7.059 9.819 2.662) 12.383 1.169 ( -11.322 7.301 -6.093) 14.786 1.464 ( -5.590 15.121 -1.777) 16.219 1.884 ( 0.636 -0.280 4.557) 4.610 1.985 ( 3.998 10.884 -0.073) 11.595 2.343 ( 1.244 -7.931 4.619) 9.262 2.518 ( -0.545 -3.696 -2.871) 4.712 2.974 ( 2.689 4.018 1.719) 5.132 3.044 ( 5.402 -9.033 0.390) 10.532 3.162 ( -3.214 1.146 3.154) 4.647 3.230 ( 3.015 -7.008 -2.309) 7.971 3.573 ( 4.818 5.325 -0.798) 7.225 3.679 ( -1.028 -0.195 -1.741) 2.032 3.783 ( -4.193 -1.641 2.248) 5.033 3.911 ( -2.867 7.147 -1.273) 7.805 3.938 ( -3.960 8.699 -0.939) 9.604 4.192 ( 11.547 -3.879 8.889) 15.080 4.262 ( -0.832 6.058 -1.587) 6.317 4.399 ( 0.720 3.360 0.343) 3.453 4.513 ( -6.335 2.267 -5.876) 8.933 4.770 ( -1.254 -3.935 0.500) 4.161 5.094 ( 0.015 -10.773 -4.610) 11.718 5.379 ( 0.823 2.739 0.774) 2.963 5.967 ( 3.419 0.480 -0.260) 3.462 6.184 ( 1.437 0.927 -0.002) 1.710 6.394 ( -1.772 -3.195 1.241) 3.859 6.824 ( -0.294 -8.088 4.651) 9.335 6.847 ( 0.084 -0.496 -4.557) 4.584 8.197 ( 0.225 9.267 -2.427) 9.582 8.316 ( -0.042 1.166 -4.521) 4.669 8.616 ( 4.962 -1.994 -6.389) 8.332 8.737 ( -8.186 1.925 19.792) 21.504 11.085 ( 0.425 2.751 0.994) 2.955 11.679 ( -0.140 -0.916 -0.393) 1.007 12.104 ( -0.518 -0.247 0.425) 0.714 12.259 ( -0.034 -1.969 0.050) 1.970 13.051 ( -0.785 -7.086 -0.733) 7.167 13.428 ( 8.698 -6.200 1.993) 10.866 13.664 ( -10.467 4.784 -1.301) 11.582 15.764 ( 5.150 -26.481 -1.175) 27.003 17.034 ( 1.586 1.230 -7.997) 8.245 17.485 ( 0.447 -1.781 -2.482) 3.087 17.999 ( 16.398 1.034 18.077) 24.428 18.400 ( -18.002 0.337 -10.295) 20.741 19.161 ( -2.043 -11.540 0.173) 11.720 21.178 ( 0.496 6.060 1.023) 6.165 21.627 ( -1.719 1.279 -1.564) 2.653 ======================= Grid point 15 (10/115) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.000 7.110 0.000) 7.110 1.107 ( 0.000 7.789 0.000) 7.789 1.570 ( 0.000 7.305 0.000) 7.305 1.774 ( 0.000 7.734 0.000) 7.734 1.795 ( 0.000 -2.818 0.000) 2.818 1.963 ( 0.000 13.191 0.000) 13.191 2.087 ( 0.000 7.494 0.000) 7.494 2.450 ( 0.000 -0.389 0.000) 0.389 2.601 ( 0.000 -10.603 0.000) 10.603 2.877 ( 0.000 -7.215 0.000) 7.215 2.993 ( 0.000 -0.847 0.000) 0.847 3.235 ( 0.000 0.792 0.000) 0.792 3.635 ( 0.000 8.034 0.000) 8.034 3.669 ( 0.000 -0.450 0.000) 0.450 3.817 ( 0.000 -3.704 0.000) 3.704 3.920 ( 0.000 2.072 0.000) 2.072 4.118 ( 0.000 -4.176 0.000) 4.176 4.245 ( 0.000 8.932 0.000) 8.932 4.355 ( 0.000 2.906 0.000) 2.906 4.478 ( 0.000 1.812 0.000) 1.812 4.709 ( 0.000 -3.691 0.000) 3.691 4.867 ( 0.000 10.421 0.000) 10.421 4.981 ( 0.000 -4.266 0.000) 4.266 5.517 ( 0.000 6.663 0.000) 6.663 5.806 ( 0.000 -1.517 0.000) 1.517 6.116 ( 0.000 2.736 0.000) 2.736 6.378 ( 0.000 -3.845 0.000) 3.845 6.637 ( 0.000 -9.586 0.000) 9.586 6.850 ( 0.000 0.574 0.000) 0.574 8.108 ( 0.000 -2.250 0.000) 2.250 8.362 ( 0.000 -0.900 0.000) 0.900 8.380 ( 0.000 -5.110 0.000) 5.110 9.128 ( 0.000 4.513 0.000) 4.513 11.099 ( 0.000 1.743 0.000) 1.743 11.645 ( 0.000 -3.006 0.000) 3.006 12.136 ( 0.000 1.657 0.000) 1.657 12.222 ( 0.000 -1.612 0.000) 1.612 12.903 ( 0.000 -8.405 0.000) 8.405 13.090 ( 0.000 -0.004 0.000) 0.004 14.267 ( 0.000 6.495 0.000) 6.495 15.092 ( 0.000 -8.568 0.000) 8.568 17.084 ( 0.000 4.190 0.000) 4.190 17.370 ( 0.000 -3.218 0.000) 3.218 17.655 ( 0.000 2.128 0.000) 2.128 18.658 ( 0.000 -8.830 0.000) 8.830 19.216 ( 0.000 -4.498 0.000) 4.498 21.195 ( 0.000 2.040 0.000) 2.040 21.755 ( 0.000 -0.467 0.000) 0.467 ======================= Grid point 16 (11/115) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.049 8.554 -2.003) 9.299 1.106 ( 1.782 8.306 0.293) 8.500 1.528 ( -5.430 8.608 -7.610) 12.708 1.749 ( 0.854 2.301 13.209) 13.435 1.926 ( -3.134 7.693 0.139) 8.308 2.013 ( 13.538 -1.569 2.296) 13.820 2.117 ( 3.127 8.933 -1.174) 9.538 2.441 ( -1.199 -5.344 -2.867) 6.182 2.689 ( 8.423 -3.635 1.954) 9.380 2.955 ( 2.900 -5.409 2.331) 6.565 3.027 ( 5.202 -1.597 -1.423) 5.624 3.214 ( -1.623 0.625 1.193) 2.109 3.646 ( 0.950 6.023 -0.228) 6.102 3.676 ( 0.770 0.485 -1.909) 2.115 3.796 ( -1.659 -2.283 -0.576) 2.880 3.941 ( 2.512 0.954 4.732) 5.441 4.106 ( -1.871 -1.455 1.388) 2.747 4.197 ( -4.620 6.472 0.171) 7.953 4.322 ( -0.992 2.551 -4.118) 4.945 4.477 ( -0.172 2.301 -0.527) 2.366 4.684 ( -1.913 -3.837 2.274) 4.853 4.858 ( -2.160 11.893 -1.965) 12.246 4.959 ( -1.065 -5.090 -6.900) 8.640 5.480 ( -2.076 5.561 -0.867) 5.998 5.839 ( 2.759 -3.187 0.046) 4.215 6.173 ( 4.089 3.425 0.999) 5.427 6.363 ( -1.312 -3.471 1.152) 3.886 6.636 ( -0.150 -9.550 1.578) 9.681 6.852 ( 0.212 0.698 -1.180) 1.387 8.168 ( 5.016 -0.881 -0.195) 5.096 8.348 ( -0.647 -2.212 -5.315) 5.793 8.432 ( 4.060 -3.801 3.255) 6.444 9.035 ( -8.497 5.452 7.578) 12.623 11.115 ( 1.254 2.038 1.582) 2.868 11.641 ( -0.286 -3.032 -0.617) 3.107 12.130 ( -0.495 1.853 0.441) 1.968 12.221 ( -0.139 -1.685 0.555) 1.779 12.895 ( -0.567 -8.232 -0.455) 8.264 13.155 ( 5.547 -2.384 -0.810) 6.092 14.090 ( -13.942 6.738 0.071) 15.485 15.185 ( 6.714 -12.942 -2.118) 14.733 17.070 ( -0.219 2.365 -12.248) 12.476 17.413 ( 2.767 -2.158 -0.291) 3.521 17.732 ( 6.648 1.445 12.590) 14.310 18.609 ( -4.531 -6.704 -1.638) 8.255 19.114 ( -8.158 -4.876 -0.591) 9.523 21.228 ( 2.672 2.785 1.546) 4.158 21.710 ( -3.595 -0.094 -2.050) 4.139 ======================= Grid point 17 (12/115) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 5.969 7.949 -2.456) 10.239 1.140 ( -3.251 3.036 0.847) 4.529 1.420 ( -1.049 13.812 -2.419) 14.061 1.720 ( -3.983 8.234 0.971) 9.198 1.876 ( -0.713 -0.269 2.022) 2.160 2.188 ( 3.021 8.624 0.377) 9.146 2.243 ( 4.677 -1.406 3.675) 6.112 2.457 ( 2.364 -2.726 -3.176) 4.807 2.799 ( 0.691 -10.547 0.823) 10.602 3.033 ( 4.153 1.508 1.775) 4.761 3.137 ( 2.994 -2.061 -2.761) 4.565 3.191 ( -0.399 0.494 2.271) 2.358 3.656 ( -0.339 0.312 0.006) 0.460 3.712 ( 2.851 4.747 -1.278) 5.683 3.768 ( -0.562 0.949 0.033) 1.103 3.956 ( -4.149 0.828 0.738) 4.295 4.090 ( -0.150 0.994 -0.830) 1.304 4.157 ( 5.135 0.992 6.720) 8.515 4.311 ( -0.723 1.673 -0.630) 1.928 4.448 ( -2.645 1.955 -3.749) 4.987 4.654 ( -0.918 -4.673 3.329) 5.811 4.745 ( -5.074 7.917 -6.265) 11.299 4.952 ( 0.458 1.350 -2.275) 2.685 5.456 ( -0.277 4.019 0.040) 4.029 5.896 ( 1.783 -5.748 0.010) 6.019 6.249 ( 2.387 4.121 -0.142) 4.764 6.334 ( -1.321 -2.537 1.280) 3.134 6.636 ( -0.046 -9.464 0.947) 9.512 6.854 ( 0.100 0.906 -0.729) 1.167 8.276 ( 3.453 0.781 2.056) 4.094 8.329 ( -0.225 -0.707 -4.660) 4.719 8.541 ( 5.228 -4.908 -1.832) 7.402 8.841 ( -8.545 6.822 7.405) 13.206 11.142 ( 0.773 2.565 0.963) 2.847 11.634 ( -0.187 -3.074 -0.383) 3.104 12.122 ( -0.252 2.052 0.261) 2.084 12.218 ( -0.094 -1.801 0.385) 1.844 12.884 ( -0.313 -7.869 -0.342) 7.883 13.291 ( 5.797 -6.113 -0.433) 8.436 13.796 ( -10.424 6.148 -0.131) 12.102 15.297 ( 3.059 -17.607 -1.123) 17.906 17.052 ( -0.115 0.889 -5.817) 5.886 17.452 ( 0.917 -1.329 -1.187) 2.004 17.941 ( 8.771 -3.029 9.159) 13.038 18.464 ( -7.195 1.525 -3.287) 8.056 18.955 ( -4.606 -7.706 -0.179) 8.980 21.290 ( 2.139 4.564 1.346) 5.217 21.630 ( -2.591 -0.513 -1.641) 3.110 ======================= Grid point 20 (13/115) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 2.279 0.000) 2.279 1.194 ( 0.000 1.458 0.000) 1.458 1.692 ( 0.000 3.503 0.000) 3.503 1.780 ( 0.000 0.394 0.000) 0.394 1.823 ( 0.000 0.394 0.000) 0.394 2.205 ( 0.000 3.153 0.000) 3.153 2.239 ( 0.000 10.767 0.000) 10.767 2.421 ( 0.000 -7.548 0.000) 7.548 2.448 ( 0.000 0.109 0.000) 0.109 2.753 ( 0.000 -3.579 0.000) 3.579 2.985 ( 0.000 -0.192 0.000) 0.192 3.245 ( 0.000 0.153 0.000) 0.153 3.662 ( 0.000 -0.178 0.000) 0.178 3.698 ( 0.000 -0.727 0.000) 0.727 3.829 ( 0.000 2.864 0.000) 2.864 3.950 ( 0.000 1.022 0.000) 1.022 4.030 ( 0.000 -2.913 0.000) 2.913 4.389 ( 0.000 0.616 0.000) 0.616 4.431 ( 0.000 8.765 0.000) 8.765 4.490 ( 0.000 -0.045 0.000) 0.045 4.598 ( 0.000 -7.024 0.000) 7.024 4.916 ( 0.000 -1.070 0.000) 1.070 5.066 ( 0.000 5.786 0.000) 5.786 5.615 ( 0.000 2.559 0.000) 2.559 5.755 ( 0.000 -2.179 0.000) 2.179 6.190 ( 0.000 3.420 0.000) 3.420 6.321 ( 0.000 -1.471 0.000) 1.471 6.465 ( 0.000 -5.868 0.000) 5.868 6.865 ( 0.000 0.592 0.000) 0.592 8.073 ( 0.000 -0.983 0.000) 0.983 8.296 ( 0.000 -2.413 0.000) 2.413 8.349 ( 0.000 -0.324 0.000) 0.324 9.195 ( 0.000 1.740 0.000) 1.740 11.125 ( 0.000 0.697 0.000) 0.697 11.591 ( 0.000 -1.617 0.000) 1.617 12.183 ( 0.000 1.907 0.000) 1.907 12.198 ( 0.000 -0.618 0.000) 0.618 12.770 ( 0.000 -3.836 0.000) 3.836 13.094 ( 0.000 0.197 0.000) 0.197 14.356 ( 0.000 2.150 0.000) 2.150 14.974 ( 0.000 -2.893 0.000) 2.893 17.133 ( 0.000 0.935 0.000) 0.935 17.329 ( 0.000 -0.859 0.000) 0.859 17.689 ( 0.000 0.932 0.000) 0.932 18.521 ( 0.000 -3.741 0.000) 3.741 19.151 ( 0.000 -1.638 0.000) 1.638 21.226 ( 0.000 0.812 0.000) 0.812 21.746 ( 0.000 -0.299 0.000) 0.299 ======================= Grid point 21 (14/115) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 4.769 2.743 -2.176) 5.916 1.201 ( 0.812 1.656 -0.588) 1.935 1.673 ( -5.152 3.689 9.222) 11.189 1.751 ( 2.483 0.538 6.949) 7.399 1.946 ( 5.055 -0.528 -2.457) 5.645 2.156 ( -1.020 7.407 -5.062) 9.030 2.260 ( 4.378 3.848 -0.613) 5.861 2.326 ( -2.175 -4.982 -2.931) 6.176 2.655 ( 8.111 -0.607 1.844) 8.340 2.860 ( 8.617 -2.558 2.460) 9.319 3.015 ( 3.279 -0.205 -1.741) 3.718 3.225 ( -1.632 0.288 1.253) 2.078 3.662 ( -0.175 -0.280 -1.323) 1.364 3.699 ( 0.583 -0.473 -0.082) 0.755 3.828 ( 0.846 2.524 -2.777) 3.847 3.959 ( 0.956 0.840 3.568) 3.788 4.059 ( 1.810 -1.781 3.101) 4.008 4.256 ( -10.082 0.606 -3.143) 10.578 4.430 ( -0.640 6.590 -0.842) 6.674 4.495 ( -0.011 0.064 -0.429) 0.434 4.571 ( -1.947 -6.445 2.176) 7.076 4.887 ( -3.151 -1.210 -7.232) 7.981 5.094 ( 2.067 7.342 0.289) 7.633 5.551 ( -3.424 1.069 1.860) 4.040 5.775 ( 0.989 -1.891 -3.214) 3.858 6.252 ( 4.347 3.474 1.582) 5.786 6.310 ( -0.810 -1.519 0.527) 1.800 6.465 ( -0.096 -5.936 1.369) 6.093 6.868 ( 0.291 0.612 -0.615) 0.915 8.151 ( 6.614 -0.545 -0.418) 6.649 8.291 ( -0.311 -2.125 -0.982) 2.362 8.386 ( 2.983 -0.927 0.916) 3.255 9.116 ( -7.051 2.140 2.963) 7.942 11.146 ( 1.650 0.817 1.374) 2.297 11.587 ( -0.302 -1.623 -0.723) 1.803 12.177 ( -0.498 1.849 0.668) 2.028 12.196 ( -0.267 -0.654 1.008) 1.231 12.766 ( -0.259 -3.683 -0.807) 3.779 13.125 ( 2.890 -0.680 -0.995) 3.132 14.185 ( -14.070 2.383 -0.219) 14.272 15.008 ( 2.709 -4.341 -1.509) 5.334 17.100 ( -1.216 0.703 -11.167) 11.255 17.385 ( 3.311 -0.624 1.233) 3.588 17.755 ( 5.455 0.607 8.691) 10.279 18.497 ( -2.047 -3.287 0.468) 3.900 19.047 ( -8.660 -1.644 -1.308) 8.911 21.268 ( 3.536 1.012 1.503) 3.974 21.705 ( -3.431 -0.187 -1.679) 3.824 ======================= Grid point 22 (15/115) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.149 1.133 -1.549) 1.925 1.211 ( -0.265 2.765 -0.308) 2.795 1.654 ( 2.687 7.220 4.848) 9.102 1.801 ( 0.975 1.078 3.292) 3.599 1.875 ( -5.991 -0.140 -4.020) 7.216 2.248 ( 1.111 1.219 0.916) 1.886 2.335 ( 3.411 4.437 -0.244) 5.602 2.392 ( 8.871 -3.045 -0.347) 9.385 2.670 ( -5.660 -2.563 -0.982) 6.291 3.049 ( 6.257 0.413 1.682) 6.492 3.108 ( 3.763 -0.821 -2.762) 4.739 3.199 ( -0.778 0.199 1.894) 2.057 3.652 ( -0.254 -0.181 -1.211) 1.250 3.744 ( 3.450 0.053 2.379) 4.191 3.867 ( 1.424 5.827 -3.496) 6.943 3.969 ( -2.063 0.455 2.919) 3.603 4.039 ( -5.578 -4.584 -2.499) 7.640 4.151 ( 7.141 -0.466 6.478) 9.653 4.365 ( -7.069 2.594 -2.358) 7.891 4.475 ( -0.942 0.143 -2.782) 2.940 4.542 ( -0.674 -4.281 2.063) 4.799 4.791 ( -2.746 0.786 -5.486) 6.185 5.131 ( 1.028 7.971 0.227) 8.040 5.517 ( -0.428 1.478 1.585) 2.209 5.783 ( 0.241 -3.908 -1.721) 4.277 6.290 ( -0.314 -0.889 -0.454) 1.046 6.336 ( 1.956 3.409 1.505) 4.209 6.466 ( 0.058 -6.163 0.792) 6.214 6.873 ( 0.151 0.648 -0.386) 0.770 8.275 ( 0.830 -0.368 0.326) 0.965 8.305 ( 3.946 -1.039 -1.346) 4.296 8.457 ( 2.975 -2.294 -0.089) 3.758 8.952 ( -6.483 3.081 2.546) 7.616 11.181 ( 1.057 1.047 0.871) 1.724 11.580 ( -0.194 -1.630 -0.451) 1.702 12.169 ( -0.277 1.746 0.372) 1.807 12.191 ( -0.179 -0.713 0.666) 0.992 12.760 ( -0.128 -3.498 -0.491) 3.535 13.203 ( 3.519 -2.210 -0.667) 4.208 13.883 ( -10.322 2.171 -0.236) 10.550 15.057 ( 1.477 -5.810 -0.919) 6.065 17.071 ( -0.335 0.700 -5.044) 5.103 17.433 ( 1.086 -0.467 -0.535) 1.298 17.903 ( 5.305 -0.812 5.460) 7.656 18.452 ( -1.640 -1.317 0.066) 2.105 18.856 ( -6.504 -2.177 -1.132) 6.951 21.355 ( 3.359 1.627 1.564) 4.046 21.619 ( -3.321 -0.357 -1.670) 3.735 ======================= Grid point 45 (16/115) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 0.736 0.000 17.200) 17.216 0.335 ( -4.344 0.000 17.023) 17.569 0.818 ( -4.129 0.000 38.605) 38.825 1.741 ( -1.586 0.000 0.873) 1.810 1.979 ( -2.523 0.000 16.805) 16.994 2.103 ( -10.882 0.000 12.255) 16.389 2.363 ( 3.884 0.000 2.829) 4.804 2.660 ( 56.811 0.000 3.227) 56.903 2.811 ( -0.855 0.000 -0.599) 1.044 3.125 ( 4.205 0.000 1.494) 4.463 3.271 ( -1.600 0.000 -4.161) 4.458 3.282 ( -1.892 0.000 -4.507) 4.888 3.491 ( 6.402 0.000 4.184) 7.648 3.510 ( -6.985 0.000 1.195) 7.086 3.642 ( 1.828 0.000 -2.957) 3.476 3.711 ( -0.969 0.000 -2.776) 2.940 3.855 ( -4.506 0.000 2.910) 5.364 4.029 ( -0.457 0.000 5.374) 5.393 4.100 ( -3.990 0.000 -1.825) 4.388 4.428 ( -1.459 0.000 1.084) 1.818 4.495 ( -3.539 0.000 -4.491) 5.718 4.862 ( 0.526 0.000 5.778) 5.802 5.146 ( -2.125 0.000 7.069) 7.382 5.527 ( -3.586 0.000 1.575) 3.916 5.605 ( 0.115 0.000 4.236) 4.237 6.074 ( 0.133 0.000 -5.856) 5.858 6.634 ( 1.431 0.000 6.459) 6.616 6.766 ( 0.824 0.000 -9.053) 9.090 7.215 ( -0.970 0.000 11.730) 11.770 7.593 ( 1.556 0.000 -8.169) 8.316 8.143 ( -0.671 0.000 -7.587) 7.617 8.689 ( 0.177 0.000 -1.385) 1.396 10.884 ( 58.488 0.000 -9.537) 59.261 10.989 ( 1.913 0.000 -2.707) 3.315 11.775 ( 12.335 0.000 7.768) 14.577 11.961 ( 1.201 0.000 -8.947) 9.027 12.409 ( -0.598 0.000 6.495) 6.522 13.132 ( 20.692 0.000 -3.247) 20.945 13.176 ( -2.064 0.000 4.761) 5.189 13.676 ( 1.012 0.000 -0.170) 1.026 15.884 ( -39.705 0.000 -16.317) 42.927 16.366 ( 0.703 0.000 -7.750) 7.782 17.066 ( -1.597 0.000 11.202) 11.315 17.943 ( -3.043 0.000 29.849) 30.004 19.403 ( -0.828 0.000 -8.769) 8.808 20.189 ( -14.875 0.000 3.824) 15.359 21.060 ( 1.917 0.000 -3.391) 3.896 21.369 ( -1.555 0.000 -4.485) 4.747 ======================= Grid point 46 (17/115) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 12.090 0.000 13.096) 17.823 0.520 ( 12.537 0.000 12.075) 17.406 0.976 ( 11.751 0.000 26.546) 29.031 1.628 ( -13.520 0.000 21.785) 25.639 1.647 ( -6.371 0.000 -0.414) 6.384 2.161 ( 0.769 0.000 18.497) 18.513 2.491 ( 6.848 0.000 1.760) 7.071 2.834 ( 2.685 0.000 0.901) 2.832 2.989 ( -17.814 0.000 -11.350) 21.123 3.155 ( -1.335 0.000 4.258) 4.462 3.179 ( -6.246 0.000 -4.528) 7.715 3.295 ( 9.785 0.000 5.549) 11.249 3.452 ( 2.378 0.000 -0.144) 2.383 3.628 ( -5.513 0.000 -5.177) 7.562 3.663 ( 0.357 0.000 -2.051) 2.082 3.796 ( -1.984 0.000 7.197) 7.466 3.857 ( -1.049 0.000 -4.410) 4.533 3.984 ( -4.834 0.000 4.368) 6.515 4.268 ( 25.556 0.000 -19.065) 31.884 4.402 ( -0.679 0.000 1.356) 1.517 4.513 ( 1.785 0.000 -8.472) 8.658 4.866 ( -0.974 0.000 5.277) 5.366 5.225 ( 7.469 0.000 3.899) 8.426 5.509 ( 1.285 0.000 0.627) 1.429 5.652 ( 2.969 0.000 3.640) 4.697 6.114 ( 4.120 0.000 -5.174) 6.614 6.639 ( -1.580 0.000 8.155) 8.306 6.752 ( -0.563 0.000 -10.006) 10.022 7.200 ( -1.629 0.000 11.488) 11.603 7.574 ( -2.253 0.000 -7.147) 7.494 8.147 ( 2.037 0.000 -9.115) 9.339 8.683 ( -0.481 0.000 -1.101) 1.202 10.343 ( -52.299 0.000 38.060) 64.682 11.016 ( 0.555 0.000 -2.064) 2.137 11.705 ( -3.949 0.000 6.553) 7.651 11.965 ( 0.290 0.000 -8.461) 8.466 12.400 ( -0.998 0.000 5.968) 6.051 13.121 ( -2.940 0.000 4.160) 5.094 13.534 ( 0.650 0.000 -9.917) 9.938 13.977 ( 1.809 0.000 3.849) 4.253 16.136 ( 44.840 0.000 -51.785) 68.501 16.379 ( 1.361 0.000 -7.448) 7.571 17.048 ( -1.343 0.000 10.805) 10.888 17.921 ( -2.856 0.000 31.750) 31.879 19.381 ( -0.195 0.000 -9.543) 9.545 19.573 ( -23.949 0.000 27.408) 36.397 21.030 ( -3.459 0.000 -3.899) 5.213 21.394 ( 3.723 0.000 -3.980) 5.450 ======================= Grid point 47 (18/115) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 5.332 0.000 9.107) 10.553 0.822 ( 18.559 0.000 15.429) 24.135 1.161 ( -0.236 0.000 8.961) 8.965 1.515 ( -2.761 0.000 20.559) 20.743 1.526 ( -2.960 0.000 -0.328) 2.979 2.114 ( -7.220 0.000 14.801) 16.468 2.595 ( -11.451 0.000 -2.616) 11.746 2.616 ( 3.196 0.000 -4.251) 5.318 2.844 ( -3.581 0.000 -1.210) 3.780 3.090 ( 1.265 0.000 2.271) 2.600 3.182 ( 2.271 0.000 4.498) 5.039 3.469 ( -4.036 0.000 -3.446) 5.307 3.523 ( 4.705 0.000 1.402) 4.909 3.524 ( 3.664 0.000 1.485) 3.954 3.668 ( 0.589 0.000 -1.072) 1.223 3.719 ( -4.314 0.000 -2.837) 5.163 3.822 ( -0.479 0.000 6.770) 6.787 3.857 ( -5.368 0.000 2.727) 6.021 4.411 ( 0.990 0.000 3.403) 3.545 4.476 ( -3.924 0.000 -9.197) 9.999 4.606 ( 9.553 0.000 -17.337) 19.794 4.841 ( -1.641 0.000 3.666) 4.017 5.381 ( 4.800 0.000 -0.062) 4.801 5.566 ( 3.481 0.000 1.342) 3.731 5.707 ( 1.209 0.000 2.118) 2.439 6.199 ( 3.078 0.000 -3.924) 4.987 6.609 ( -1.989 0.000 7.980) 8.224 6.728 ( -0.057 0.000 -10.464) 10.464 7.187 ( -1.024 0.000 12.339) 12.382 7.506 ( -2.191 0.000 -7.175) 7.502 8.188 ( 2.541 0.000 -9.901) 10.222 8.670 ( -0.487 0.000 -0.569) 0.749 9.508 ( -31.905 0.000 40.503) 51.559 11.003 ( -1.287 0.000 -3.377) 3.614 11.677 ( -0.216 0.000 2.161) 2.172 11.952 ( -0.289 0.000 -8.218) 8.223 12.389 ( -0.568 0.000 5.409) 5.439 13.091 ( -0.157 0.000 5.410) 5.412 13.508 ( -1.421 0.000 -8.850) 8.963 13.911 ( -4.677 0.000 9.723) 10.789 16.394 ( 0.777 0.000 -6.779) 6.824 16.766 ( 20.763 0.000 -50.424) 54.531 17.046 ( -0.220 0.000 10.763) 10.765 17.915 ( -1.827 0.000 32.112) 32.164 19.271 ( -5.381 0.000 11.734) 12.909 19.433 ( 1.532 0.000 2.589) 3.008 20.954 ( -2.251 0.000 -5.396) 5.846 21.467 ( 2.752 0.000 -2.240) 3.549 ======================= Grid point 48 (19/115) ======================= q-point: (-0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -9.176 0.000 7.882) 12.097 0.987 ( -12.427 0.000 14.178) 18.853 1.188 ( -0.441 0.000 7.484) 7.497 1.420 ( 1.547 0.000 20.152) 20.212 1.570 ( 5.912 0.000 1.553) 6.112 1.923 ( -10.846 0.000 9.729) 14.570 2.515 ( -9.097 0.000 -6.494) 11.177 2.595 ( 7.423 0.000 -0.972) 7.487 2.830 ( 1.925 0.000 -2.384) 3.065 3.176 ( 4.121 0.000 4.543) 6.134 3.254 ( 3.574 0.000 4.424) 5.688 3.319 ( -7.612 0.000 -4.352) 8.768 3.563 ( -1.049 0.000 5.391) 5.492 3.566 ( 0.145 0.000 -4.408) 4.410 3.670 ( 0.078 0.000 -2.203) 2.205 3.706 ( 4.329 0.000 -1.762) 4.674 3.813 ( -2.230 0.000 2.827) 3.601 3.888 ( 5.748 0.000 7.430) 9.394 4.324 ( -8.244 0.000 -9.739) 12.760 4.439 ( 0.805 0.000 3.959) 4.040 4.709 ( 2.992 0.000 -16.323) 16.595 4.821 ( -0.400 0.000 3.028) 3.055 5.401 ( -2.531 0.000 -1.240) 2.819 5.635 ( 2.039 0.000 3.580) 4.120 5.701 ( -2.018 0.000 2.076) 2.895 6.197 ( -2.545 0.000 -4.198) 4.909 6.582 ( -1.357 0.000 5.879) 6.033 6.729 ( 1.400 0.000 -9.983) 10.081 7.192 ( -0.297 0.000 13.235) 13.238 7.490 ( 1.844 0.000 -7.962) 8.173 8.210 ( 0.469 0.000 -9.060) 9.072 8.667 ( 0.330 0.000 -0.516) 0.612 9.046 ( -15.697 0.000 37.004) 40.196 10.968 ( -1.006 0.000 -4.773) 4.878 11.682 ( 0.217 0.000 1.158) 1.178 11.939 ( 0.387 0.000 -8.581) 8.590 12.393 ( 0.143 0.000 5.646) 5.648 13.126 ( 2.210 0.000 6.704) 7.059 13.449 ( -2.975 0.000 -10.143) 10.571 13.834 ( -3.884 0.000 6.229) 7.341 16.390 ( -0.230 0.000 -6.714) 6.718 16.950 ( 3.573 0.000 -47.936) 48.069 17.063 ( 0.209 0.000 11.177) 11.178 17.932 ( -0.816 0.000 30.792) 30.803 19.297 ( 6.110 0.000 11.076) 12.649 19.488 ( 3.310 0.000 9.159) 9.739 20.935 ( 1.344 0.000 -5.866) 6.018 21.489 ( -0.602 0.000 -1.617) 1.725 ======================= Grid point 49 (20/115) ======================= q-point: (-0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -13.031 0.000 10.981) 17.041 0.607 ( -20.082 0.000 4.838) 20.656 0.982 ( -13.243 0.000 30.783) 33.510 1.667 ( 9.486 0.000 26.333) 27.989 1.702 ( 4.732 0.000 1.948) 5.117 1.801 ( 4.603 0.000 11.073) 11.992 2.356 ( -3.777 0.000 -1.987) 4.268 2.660 ( -5.953 0.000 -7.439) 9.527 2.840 ( -0.828 0.000 -0.902) 1.225 3.141 ( -5.266 0.000 -2.433) 5.801 3.275 ( 2.621 0.000 -1.079) 2.834 3.314 ( 0.769 0.000 -2.528) 2.642 3.556 ( -0.206 0.000 4.430) 4.435 3.594 ( 2.761 0.000 -5.294) 5.971 3.642 ( -12.981 0.000 -0.510) 12.991 3.692 ( 1.919 0.000 -1.120) 2.222 3.846 ( 6.016 0.000 -1.815) 6.284 3.998 ( 2.882 0.000 6.007) 6.662 4.165 ( -4.451 0.000 -1.103) 4.586 4.447 ( -0.479 0.000 2.761) 2.802 4.677 ( -4.790 0.000 -21.259) 21.792 4.835 ( 1.039 0.000 4.388) 4.509 5.283 ( -8.193 0.000 1.145) 8.273 5.631 ( -3.824 0.000 2.884) 4.789 5.640 ( -3.280 0.000 3.278) 4.638 6.118 ( -3.193 0.000 -5.161) 6.069 6.581 ( 1.212 0.000 5.231) 5.370 6.749 ( 1.567 0.000 -8.986) 9.121 7.207 ( -0.166 0.000 13.498) 13.499 7.544 ( 3.599 0.000 -8.562) 9.288 8.183 ( -1.539 0.000 -7.653) 7.806 8.680 ( 0.764 0.000 -1.049) 1.298 9.160 ( 32.657 0.000 60.959) 69.156 10.960 ( 0.957 0.000 -4.345) 4.449 11.683 ( -0.110 0.000 0.812) 0.820 11.945 ( 1.243 0.000 -9.029) 9.115 12.405 ( 0.069 0.000 6.270) 6.271 13.178 ( 1.157 0.000 6.327) 6.432 13.325 ( -8.654 0.000 -12.665) 15.340 13.748 ( -4.736 0.000 1.749) 5.049 16.372 ( -0.253 0.000 -7.313) 7.318 16.740 ( -19.818 0.000 -54.254) 57.760 17.076 ( -0.678 0.000 11.443) 11.463 17.953 ( -1.488 0.000 28.607) 28.646 19.417 ( 1.616 0.000 -7.376) 7.551 19.789 ( 25.790 0.000 33.028) 41.904 20.989 ( 4.044 0.000 -5.098) 6.507 21.440 ( -3.389 0.000 -2.536) 4.233 ======================= Grid point 50 (21/115) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -3.644 14.419 10.385) 18.139 0.632 ( -5.142 18.068 10.498) 21.520 0.983 ( -0.321 18.207 25.599) 31.415 1.766 ( -3.992 -0.944 6.881) 8.011 1.879 ( -2.422 -6.000 18.479) 19.579 2.026 ( 7.363 -1.323 16.939) 18.518 2.238 ( 14.069 -11.900 7.853) 20.031 2.520 ( 12.902 -2.347 6.802) 14.773 2.881 ( 0.875 4.526 -0.668) 4.658 3.062 ( 2.231 -6.324 -2.913) 7.311 3.144 ( -3.995 -7.176 -2.410) 8.560 3.290 ( 0.649 -2.467 -1.323) 2.873 3.414 ( -2.327 -1.534 0.421) 2.819 3.624 ( 3.316 5.083 0.747) 6.114 3.676 ( 4.257 4.201 -0.858) 6.042 3.846 ( 0.160 8.658 -1.892) 8.863 3.900 ( -1.836 3.680 3.551) 5.433 4.063 ( -2.439 2.370 -3.799) 5.099 4.217 ( -4.649 6.995 -2.319) 8.714 4.398 ( -1.115 -2.343 0.443) 2.633 4.537 ( -2.320 3.849 -3.231) 5.536 4.834 ( 1.079 -1.998 4.082) 4.671 5.208 ( -4.680 1.498 4.014) 6.345 5.433 ( -0.825 -1.459 9.290) 9.440 5.714 ( -1.118 5.373 2.009) 5.844 6.062 ( 0.406 -1.317 -5.898) 6.057 6.611 ( 1.437 -2.280 6.457) 6.997 6.725 ( 0.835 -3.398 -8.796) 9.467 7.179 ( -1.239 -3.203 12.762) 13.216 7.831 ( -1.531 16.446 -17.721) 24.225 8.122 ( -0.387 -1.863 -7.731) 7.962 8.659 ( 0.140 -2.979 -0.934) 3.125 9.983 ( 32.665 -43.812 40.693) 68.136 11.069 ( 3.623 1.043 1.537) 4.072 11.695 ( 0.685 -0.654 3.072) 3.215 11.995 ( 2.112 0.200 -11.718) 11.908 12.421 ( -0.342 -1.554 6.153) 6.356 13.078 ( 0.017 -1.891 -3.109) 3.639 13.340 ( 10.769 -4.512 1.393) 11.759 13.724 ( -2.170 11.985 -7.247) 14.173 15.609 ( -14.964 -16.105 -4.994) 22.544 16.596 ( -9.591 12.845 -13.730) 21.107 17.181 ( 4.175 5.702 -0.907) 7.125 17.996 ( 1.398 2.802 26.975) 27.157 19.303 ( -1.552 -11.574 -5.840) 13.056 19.654 ( -6.387 -22.466 27.548) 36.117 21.078 ( 2.213 1.298 -3.284) 4.167 21.571 ( -3.023 7.441 -12.745) 15.065 ======================= Grid point 51 (22/115) ======================= q-point: ( 0.20 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 6.654 7.454 9.633) 13.879 0.698 ( 6.819 12.389 12.220) 18.690 1.166 ( 8.696 15.810 17.584) 25.195 1.568 ( -11.098 -2.351 17.469) 20.829 1.754 ( -4.754 6.878 3.438) 9.040 2.147 ( 0.793 -1.081 17.978) 18.028 2.460 ( 6.906 -3.749 1.517) 8.003 2.740 ( -2.633 -10.936 0.687) 11.269 2.926 ( -6.135 -0.441 -3.460) 7.057 3.105 ( -0.744 -2.940 -1.926) 3.593 3.197 ( 14.764 -9.190 3.955) 17.835 3.245 ( -3.893 1.560 -0.854) 4.280 3.415 ( 2.278 -0.229 -1.156) 2.565 3.657 ( 0.403 -0.455 -2.268) 2.348 3.734 ( -5.966 9.949 -3.135) 12.017 3.836 ( -3.783 1.597 -0.787) 4.181 3.986 ( 5.290 8.633 -0.199) 10.127 4.009 ( -1.173 3.160 6.012) 6.893 4.152 ( 10.008 -5.264 -9.333) 14.662 4.392 ( 0.167 -0.971 1.323) 1.650 4.504 ( -1.459 -0.098 -5.466) 5.659 4.859 ( -0.215 -0.672 4.722) 4.774 5.186 ( 3.070 -4.527 3.122) 6.298 5.440 ( 0.564 -1.682 5.682) 5.953 5.772 ( 4.558 7.465 2.804) 9.185 6.098 ( 3.498 -1.555 -5.488) 6.691 6.619 ( -1.515 -2.037 8.247) 8.629 6.717 ( -0.259 -2.973 -9.683) 10.132 7.164 ( -1.545 -3.238 12.180) 12.698 7.753 ( -3.280 13.851 -12.156) 18.718 8.137 ( 2.553 -0.805 -9.394) 9.768 8.654 ( -0.428 -2.847 -0.932) 3.026 9.960 ( -26.935 -26.385 39.781) 54.811 11.067 ( -1.655 2.619 0.416) 3.126 11.693 ( -1.037 -0.061 3.824) 3.963 11.992 ( -0.204 1.122 -9.510) 9.578 12.394 ( -1.675 -1.124 6.102) 6.426 13.118 ( 0.108 -1.478 0.316) 1.515 13.601 ( -1.178 -3.620 0.199) 3.812 13.700 ( 5.226 -9.080 -1.735) 10.619 15.793 ( 26.051 -21.061 -22.621) 40.422 16.498 ( 1.480 8.510 -12.966) 15.579 17.265 ( 3.998 9.450 -3.800) 10.941 18.068 ( 1.212 10.433 27.985) 29.891 19.219 ( -8.969 -17.480 6.889) 20.819 19.393 ( -11.124 -7.576 13.885) 19.338 21.074 ( -2.157 3.276 -3.349) 5.158 21.486 ( -0.641 5.679 -8.278) 10.059 ======================= Grid point 52 (23/115) ======================= q-point: ( 0.40 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 19.435 -1.419 5.476) 20.242 0.881 ( 5.991 10.417 8.104) 14.494 1.202 ( -7.422 6.777 12.933) 16.379 1.423 ( -4.250 -0.449 17.585) 18.097 1.749 ( 2.359 11.745 2.993) 12.348 2.101 ( -7.036 -1.005 14.689) 16.319 2.520 ( -8.186 -5.992 -2.648) 10.484 2.580 ( 2.069 -3.906 -1.826) 4.782 2.893 ( -2.285 4.002 -1.351) 4.803 3.057 ( 0.181 -1.657 -0.784) 1.842 3.206 ( 0.445 1.182 4.652) 4.820 3.393 ( -0.552 -7.183 -4.364) 8.423 3.498 ( 6.882 0.915 2.335) 7.325 3.631 ( -0.649 4.825 -0.942) 4.959 3.680 ( 0.509 3.483 0.120) 3.522 3.769 ( -1.205 2.220 -4.605) 5.252 3.871 ( -6.778 4.366 3.539) 8.805 3.999 ( 0.133 13.294 6.547) 14.820 4.368 ( -1.992 -10.652 -15.175) 18.647 4.414 ( 0.866 -1.239 0.713) 1.671 4.500 ( 6.608 -4.156 -1.103) 7.884 4.836 ( -1.590 -1.307 2.394) 3.157 5.313 ( 6.322 -7.288 2.655) 10.007 5.457 ( -0.230 -2.651 5.525) 6.132 5.861 ( 2.962 8.664 1.078) 9.219 6.168 ( 2.576 -2.811 -4.183) 5.660 6.581 ( -2.820 -2.371 9.013) 9.737 6.698 ( 0.026 -2.722 -10.388) 10.739 7.155 ( -0.843 -2.829 12.568) 12.910 7.685 ( -0.706 14.539 -11.213) 18.374 8.186 ( 2.829 -0.096 -9.974) 10.368 8.642 ( -0.426 -2.654 -0.532) 2.740 9.407 ( -26.194 -8.308 35.411) 44.823 11.032 ( -1.655 2.357 -2.522) 3.828 11.686 ( 0.040 0.913 2.068) 2.261 11.973 ( -0.383 1.460 -8.365) 8.501 12.376 ( -0.724 -1.436 5.338) 5.575 13.120 ( 0.698 0.776 3.044) 3.218 13.514 ( -4.230 1.857 -5.700) 7.337 13.752 ( -0.060 -13.076 7.064) 14.862 16.149 ( 7.264 -23.353 -14.958) 28.668 16.632 ( 12.301 1.018 -22.812) 25.938 17.334 ( 2.542 11.437 -5.901) 13.118 18.091 ( -3.788 16.135 29.949) 34.229 19.026 ( -5.438 -20.222 21.865) 30.276 19.320 ( -0.074 -9.274 -2.905) 9.719 21.015 ( -1.987 5.230 -5.216) 7.649 21.509 ( 2.358 2.791 -4.159) 5.536 ======================= Grid point 53 (24/115) ======================= q-point: (-0.40 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -13.797 3.226 4.221) 14.785 1.030 ( -7.113 4.372 10.174) 13.162 1.232 ( 8.887 7.626 14.907) 18.957 1.451 ( 4.417 3.443 18.215) 19.057 1.732 ( -1.620 11.939 0.287) 12.052 1.917 ( -10.491 -0.554 8.892) 13.763 2.455 ( -2.726 -7.820 -3.844) 9.131 2.556 ( -1.275 -0.700 -2.314) 2.733 2.855 ( 2.035 2.204 -2.329) 3.798 3.132 ( 4.112 -2.581 1.355) 5.041 3.224 ( -1.548 -5.222 3.313) 6.375 3.311 ( -3.700 -0.611 -2.028) 4.263 3.511 ( -4.163 0.976 -0.770) 4.344 3.648 ( -0.161 1.627 -4.737) 5.012 3.676 ( 2.349 2.536 0.796) 3.547 3.801 ( 3.981 6.041 -4.312) 8.423 3.864 ( 0.670 5.211 5.703) 7.754 3.999 ( -1.531 7.550 3.034) 8.280 4.255 ( -2.051 -4.656 -4.403) 6.728 4.424 ( -0.108 -1.644 2.080) 2.653 4.599 ( 2.301 -4.931 -5.617) 7.820 4.822 ( -0.012 -1.466 1.035) 1.795 5.388 ( -0.766 -2.012 1.383) 2.559 5.446 ( -0.877 -6.049 8.984) 10.866 5.889 ( -0.771 7.638 0.687) 7.707 6.166 ( -2.069 -2.745 -4.369) 5.559 6.543 ( -1.323 -2.876 7.396) 8.045 6.697 ( 1.185 -3.028 -10.089) 10.600 7.163 ( -0.215 -2.527 13.384) 13.623 7.716 ( 5.284 17.473 -13.646) 22.791 8.212 ( 0.578 0.469 -9.598) 9.626 8.638 ( 0.152 -2.763 -0.188) 2.773 9.001 ( -14.387 -3.505 32.125) 35.374 10.996 ( -0.953 2.302 -4.016) 4.726 11.693 ( 0.201 0.994 1.342) 1.682 11.958 ( 0.279 1.394 -8.697) 8.813 12.379 ( 0.232 -1.557 5.475) 5.697 13.164 ( 2.699 1.043 4.567) 5.407 13.408 ( -5.206 -1.951 -6.486) 8.543 13.755 ( -0.198 -6.263 4.133) 7.506 16.165 ( -2.409 -19.855 -10.550) 22.613 16.851 ( 10.092 -1.497 -25.435) 27.405 17.311 ( -5.312 11.826 -6.756) 14.619 18.002 ( -6.712 6.526 30.288) 31.702 19.114 ( 9.858 -15.001 26.868) 32.312 19.328 ( 0.737 -11.942 -2.901) 12.312 20.991 ( 0.610 4.838 -5.835) 7.604 21.547 ( 1.526 3.805 -3.107) 5.144 ======================= Grid point 54 (25/115) ======================= q-point: (-0.20 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -5.199 10.759 11.659) 16.695 0.832 ( -11.603 12.583 9.476) 19.564 1.145 ( -12.597 16.233 18.809) 27.856 1.635 ( 3.328 -1.337 21.643) 21.938 1.789 ( 2.594 6.781 3.208) 7.938 1.799 ( 6.556 -0.226 10.081) 12.028 2.302 ( -7.292 -6.050 -1.706) 9.628 2.553 ( -4.084 -5.399 -2.004) 7.060 2.909 ( 0.653 3.586 -2.476) 4.407 3.065 ( -5.388 -7.991 -1.786) 9.801 3.236 ( 0.928 -3.324 -2.051) 4.015 3.267 ( -2.379 -4.507 0.194) 5.100 3.446 ( -1.197 -1.231 1.065) 2.021 3.643 ( 0.052 0.351 -3.467) 3.485 3.672 ( -6.427 3.734 0.662) 7.462 3.797 ( 2.533 5.281 -4.293) 7.261 3.889 ( 2.701 7.330 2.213) 8.119 4.033 ( 3.497 1.892 2.700) 4.806 4.275 ( 0.023 7.664 1.375) 7.787 4.418 ( -0.431 -3.598 0.922) 3.739 4.604 ( -1.160 -2.168 -8.243) 8.602 4.822 ( -0.314 -1.472 3.159) 3.500 5.317 ( -5.008 2.168 3.246) 6.350 5.440 ( -1.144 -4.500 10.765) 11.724 5.815 ( -6.052 4.635 0.695) 7.655 6.099 ( -2.764 -1.730 -5.334) 6.252 6.557 ( 1.799 -2.090 5.779) 6.404 6.712 ( 1.372 -3.354 -9.263) 9.946 7.177 ( -0.392 -2.707 13.740) 14.010 7.829 ( 5.219 19.214 -20.819) 28.807 8.174 ( -2.651 -0.519 -8.653) 9.065 8.648 ( 0.765 -3.123 0.186) 3.221 9.068 ( 22.323 -5.968 47.658) 52.965 10.996 ( 1.779 2.513 -2.783) 4.150 11.692 ( -0.383 0.891 0.664) 1.176 11.965 ( 1.546 1.144 -9.747) 9.935 12.398 ( 0.720 -1.311 6.047) 6.230 13.231 ( 2.093 1.589 5.135) 5.769 13.250 ( -8.470 -5.873 -8.388) 13.289 13.753 ( -0.337 2.499 -0.741) 2.628 16.010 ( -12.315 -24.717 -11.649) 29.972 16.907 ( -7.606 8.480 -38.098) 39.765 17.126 ( -4.137 4.425 11.637) 13.119 17.953 ( -1.530 0.028 28.501) 28.542 19.328 ( 0.069 -10.489 -6.444) 12.311 19.461 ( 15.440 -17.605 33.893) 41.195 21.022 ( 2.796 2.863 -5.090) 6.475 21.574 ( 1.932 7.008 -6.019) 9.438 ======================= Grid point 55 (26/115) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -2.006 12.783 6.325) 14.403 0.981 ( -4.509 16.260 7.142) 18.323 1.435 ( -0.978 19.062 14.198) 23.789 1.671 ( -0.383 -0.336 18.125) 18.133 1.925 ( 5.682 -0.465 3.495) 6.687 1.963 ( 1.421 -0.350 6.760) 6.916 2.099 ( 5.327 -0.446 16.241) 17.098 2.497 ( 3.493 -1.068 3.765) 5.246 2.836 ( -2.541 -12.605 -1.461) 12.941 2.950 ( -0.444 1.395 -0.107) 1.468 3.025 ( 2.401 -5.609 -3.813) 7.194 3.246 ( 0.578 -0.998 0.960) 1.501 3.484 ( -1.025 6.984 1.778) 7.279 3.640 ( 0.196 -0.473 -3.036) 3.079 3.815 ( 4.918 5.395 -0.824) 7.347 3.883 ( -1.477 -3.918 -2.765) 5.018 4.030 ( -0.586 8.740 -0.673) 8.785 4.168 ( 0.461 5.368 0.682) 5.430 4.313 ( -2.612 0.736 -0.597) 2.778 4.390 ( -2.091 4.288 -0.317) 4.781 4.652 ( -2.526 7.546 -2.299) 8.283 4.797 ( 1.768 -1.666 3.549) 4.301 5.121 ( -6.165 -7.252 3.143) 10.024 5.517 ( -3.086 6.425 11.157) 13.239 5.807 ( 1.066 3.331 3.226) 4.759 6.037 ( 1.018 -0.199 -5.766) 5.858 6.542 ( 1.076 -4.293 5.507) 7.065 6.632 ( 1.318 -5.598 -8.771) 10.488 7.102 ( -1.576 -3.682 14.124) 14.681 8.074 ( -1.111 -2.119 -7.908) 8.262 8.120 ( -1.550 10.316 -15.040) 18.304 8.569 ( 0.355 -5.443 0.619) 5.490 9.414 ( 14.704 -15.126 29.281) 36.089 11.083 ( 2.184 0.488 0.622) 2.323 11.696 ( -0.281 -0.365 1.290) 1.369 12.002 ( 1.140 1.276 -8.046) 8.226 12.367 ( -0.306 -2.933 6.615) 7.243 13.026 ( -0.596 -3.797 -3.310) 5.072 13.168 ( 1.198 -7.811 2.896) 8.416 13.991 ( 0.617 11.523 -8.385) 14.265 15.316 ( -5.286 -12.156 -0.569) 13.268 16.809 ( -10.592 7.552 -16.842) 21.281 17.254 ( 5.836 2.217 0.506) 6.264 18.019 ( 4.097 -0.126 26.494) 26.809 18.973 ( -2.354 -16.672 2.244) 16.986 19.423 ( -1.908 -5.647 13.637) 14.883 21.111 ( 1.953 1.866 -3.840) 4.695 21.651 ( -2.240 1.584 -9.993) 10.363 ======================= Grid point 56 (27/115) ======================= q-point: ( 0.20 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -3.494 14.416 3.995) 15.362 1.000 ( 5.248 16.412 7.436) 18.767 1.446 ( -4.220 4.455 17.598) 18.637 1.612 ( -2.197 11.732 9.325) 15.147 1.910 ( -1.023 7.972 0.968) 8.096 2.114 ( 1.738 -2.616 14.443) 14.781 2.334 ( 10.586 -6.702 7.937) 14.832 2.529 ( -4.385 -8.473 -0.181) 9.543 2.871 ( 7.649 -6.933 3.176) 10.801 3.003 ( 2.951 -2.491 -0.616) 3.911 3.073 ( 2.969 -4.266 -4.367) 6.789 3.248 ( -0.348 -0.295 1.736) 1.795 3.494 ( 1.853 6.765 1.058) 7.093 3.643 ( 0.261 -0.907 -2.800) 2.954 3.804 ( -3.769 -2.766 -5.313) 7.077 3.967 ( -0.007 5.463 -3.255) 6.359 4.007 ( 5.356 3.772 -0.339) 6.559 4.112 ( -3.265 5.148 5.872) 8.464 4.253 ( -1.329 5.447 -1.323) 5.761 4.388 ( 1.137 2.278 0.301) 2.564 4.557 ( -5.313 7.379 -2.865) 9.533 4.832 ( -0.926 -2.258 3.657) 4.397 5.042 ( 0.186 -8.219 3.408) 8.899 5.481 ( -1.027 4.442 8.399) 9.557 5.882 ( 4.621 1.740 3.483) 6.042 6.081 ( 3.062 1.445 -5.190) 6.196 6.552 ( -0.947 -4.434 6.316) 7.775 6.637 ( 0.067 -4.918 -8.542) 9.857 7.088 ( -1.383 -3.567 13.803) 14.323 8.017 ( -1.700 9.307 -11.581) 14.954 8.130 ( 2.806 1.265 -10.571) 11.010 8.573 ( 0.039 -4.634 -0.364) 4.648 9.508 ( -9.244 -16.480 29.531) 35.059 11.105 ( -0.292 1.208 0.125) 1.249 11.697 ( -0.073 -0.438 2.507) 2.547 12.010 ( 0.524 1.445 -7.061) 7.226 12.354 ( -1.469 -2.323 6.111) 6.701 13.042 ( 0.740 -5.877 -1.724) 6.169 13.290 ( 8.718 -12.340 3.099) 15.424 13.855 ( -10.468 9.802 -6.219) 15.631 15.414 ( 12.471 -15.570 -7.467) 21.301 16.655 ( -1.339 6.041 -16.811) 17.913 17.371 ( 4.847 2.522 -0.561) 5.492 18.195 ( 8.711 1.132 26.339) 27.765 18.869 ( -9.013 -14.394 7.722) 18.656 19.275 ( -10.696 -4.550 7.730) 13.959 21.145 ( 1.157 3.446 -3.205) 4.846 21.565 ( -2.810 2.092 -9.826) 10.431 ======================= Grid point 57 (28/115) ======================= q-point: ( 0.40 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 11.812 5.317 1.750) 13.071 1.128 ( 1.234 12.659 3.445) 13.177 1.331 ( -3.941 3.129 20.176) 20.795 1.551 ( -3.181 12.454 10.491) 16.592 1.972 ( 4.197 9.652 0.304) 10.530 2.079 ( -6.512 -1.154 13.703) 15.215 2.390 ( -6.669 -5.790 -2.510) 9.181 2.492 ( 4.506 -3.450 2.723) 6.294 2.970 ( -0.021 2.952 -1.962) 3.545 3.034 ( 1.890 -2.157 -1.783) 3.377 3.118 ( -1.259 -11.052 -4.350) 11.944 3.281 ( 2.627 -0.615 5.058) 5.732 3.560 ( 3.880 4.574 -1.269) 6.131 3.642 ( 0.472 -0.745 -1.490) 1.731 3.741 ( -1.303 0.359 -4.233) 4.444 3.892 ( -1.984 7.643 -1.082) 7.970 3.985 ( -3.806 5.918 4.412) 8.305 4.165 ( -1.832 -5.092 -9.410) 10.855 4.279 ( 1.550 8.435 2.615) 8.966 4.400 ( 1.087 -0.031 -0.126) 1.095 4.505 ( 2.739 7.571 4.717) 9.331 4.775 ( -2.858 -4.579 1.436) 5.585 5.131 ( 5.638 -8.838 7.188) 12.711 5.483 ( -0.361 3.703 8.369) 9.159 5.971 ( 2.378 -0.043 1.660) 2.900 6.130 ( 1.805 1.410 -5.208) 5.689 6.520 ( -2.748 -3.410 8.714) 9.753 6.618 ( -0.239 -5.029 -10.242) 11.412 7.087 ( -0.531 -3.306 13.697) 14.100 7.994 ( 1.568 13.721 -13.042) 18.995 8.188 ( 3.666 0.286 -10.096) 10.744 8.570 ( -0.247 -3.992 -0.834) 4.085 9.228 ( -17.626 -8.225 25.724) 32.250 11.081 ( -1.506 2.176 -2.512) 3.649 11.701 ( 0.160 -0.154 2.777) 2.786 12.004 ( -0.135 2.035 -6.266) 6.589 12.334 ( -0.966 -2.364 5.067) 5.674 13.053 ( 0.763 -6.744 0.551) 6.809 13.470 ( 6.583 -12.326 1.781) 14.087 13.623 ( -8.730 7.233 -2.691) 11.652 15.652 ( 8.141 -22.504 -9.133) 25.615 16.695 ( 6.858 3.371 -19.327) 20.783 17.455 ( 2.738 2.361 -0.448) 3.643 18.417 ( 1.438 11.374 21.644) 24.492 18.618 ( -8.314 -16.625 24.987) 31.143 19.111 ( -3.977 -9.563 -3.287) 10.866 21.139 ( -1.044 6.273 -5.008) 8.095 21.544 ( 1.709 0.373 -6.401) 6.635 ======================= Grid point 58 (29/115) ======================= q-point: (-0.40 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -7.704 8.304 4.029) 12.023 1.156 ( 0.916 6.419 8.234) 10.481 1.430 ( 9.180 8.246 17.903) 21.744 1.594 ( 3.681 10.830 11.020) 15.883 1.891 ( -11.272 0.232 5.440) 12.518 1.986 ( -2.616 10.188 1.203) 10.587 2.281 ( -3.839 -7.080 -0.990) 8.114 2.542 ( -0.691 -1.089 -0.651) 1.445 2.910 ( -1.863 2.709 -4.231) 5.358 3.016 ( -6.613 -11.063 -2.381) 13.107 3.120 ( 4.274 -1.618 -0.113) 4.572 3.281 ( -3.408 -2.020 2.916) 4.919 3.576 ( -1.956 3.376 -1.520) 4.188 3.675 ( -2.073 2.894 -3.670) 5.113 3.712 ( 4.145 -0.161 -0.947) 4.255 3.902 ( -6.644 1.906 -7.764) 10.395 3.951 ( 5.060 3.023 1.860) 6.181 4.061 ( 0.280 3.739 2.415) 4.460 4.343 ( 2.783 5.357 3.905) 7.190 4.404 ( -0.444 3.714 1.142) 3.911 4.595 ( 2.903 4.577 2.574) 6.000 4.758 ( 1.058 -4.306 0.712) 4.491 5.243 ( 2.647 -8.479 7.806) 11.825 5.486 ( -0.234 5.282 10.989) 12.195 5.963 ( -3.258 -1.186 -0.037) 3.467 6.130 ( -1.228 0.972 -5.211) 5.441 6.484 ( -1.139 -2.839 8.056) 8.617 6.607 ( 0.636 -5.616 -10.451) 11.882 7.099 ( -0.261 -3.259 13.997) 14.374 8.044 ( 4.032 11.663 -13.316) 18.155 8.245 ( 2.765 3.307 -12.528) 13.249 8.562 ( -0.494 -4.218 -0.495) 4.275 8.933 ( -10.294 -2.605 23.693) 25.964 11.046 ( -1.050 2.294 -3.823) 4.581 11.708 ( 0.056 -0.156 2.385) 2.391 11.992 ( -0.024 2.211 -6.719) 7.074 12.332 ( 0.145 -2.695 5.083) 5.755 13.075 ( 0.898 -8.036 1.021) 8.150 13.394 ( -8.353 -3.244 -1.566) 9.097 13.679 ( 8.846 1.697 0.362) 9.014 15.701 ( -2.418 -22.566 -6.730) 23.672 16.857 ( 9.920 1.170 -20.098) 22.443 17.452 ( -4.395 2.816 -2.494) 5.785 18.128 ( -16.920 3.553 25.445) 30.763 18.839 ( 11.617 -10.994 27.926) 32.182 19.093 ( 3.675 -8.825 -5.644) 11.101 21.105 ( -0.997 5.693 -6.040) 8.360 21.595 ( 3.339 0.737 -4.740) 5.845 ======================= Grid point 59 (30/115) ======================= q-point: (-0.20 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.533 13.136 7.284) 15.030 1.091 ( -6.024 12.494 10.897) 17.639 1.515 ( -7.491 13.352 10.240) 18.418 1.647 ( -2.237 4.937 14.191) 15.190 1.787 ( 7.278 -0.227 7.738) 10.625 1.952 ( -0.386 8.523 1.880) 8.736 2.149 ( -8.209 -6.156 3.786) 10.937 2.500 ( -2.223 -0.956 -0.165) 2.425 2.855 ( -3.671 -10.496 0.605) 11.136 2.947 ( 2.886 -0.297 -3.878) 4.843 3.119 ( -8.526 -6.232 -1.462) 10.661 3.215 ( 1.748 -0.813 1.639) 2.531 3.521 ( -2.483 6.965 1.890) 7.632 3.645 ( -0.249 0.292 -3.313) 3.336 3.775 ( -1.325 4.817 -3.006) 5.831 3.832 ( 5.391 -1.536 -2.520) 6.146 4.060 ( 0.138 5.966 0.687) 6.007 4.092 ( 3.949 4.779 1.552) 6.390 4.357 ( -1.389 -0.186 0.872) 1.651 4.416 ( 0.388 5.013 1.631) 5.286 4.651 ( 2.260 5.977 -0.124) 6.391 4.780 ( 0.246 -2.318 2.048) 3.103 5.235 ( -3.982 -7.258 4.958) 9.649 5.521 ( 1.140 7.646 14.946) 16.827 5.858 ( -5.331 0.190 0.078) 5.335 6.071 ( -2.869 -0.184 -5.847) 6.516 6.501 ( 1.485 -3.200 6.077) 7.027 6.615 ( 1.351 -6.016 -9.790) 11.570 7.109 ( -0.831 -3.486 14.304) 14.746 8.083 ( 1.018 2.901 -10.458) 10.900 8.221 ( -3.608 6.780 -17.183) 18.821 8.556 ( 0.374 -5.375 2.376) 5.889 8.996 ( 13.664 -0.668 25.887) 29.280 11.041 ( 1.196 1.709 -2.302) 3.107 11.706 ( -0.540 -0.218 1.387) 1.504 11.990 ( 0.836 1.868 -7.602) 7.872 12.350 ( 0.718 -2.859 5.857) 6.557 13.078 ( -1.271 -8.764 -1.773) 9.031 13.223 ( -6.686 -2.991 1.198) 7.421 13.877 ( 8.953 8.147 -3.607) 12.631 15.541 ( -11.159 -19.464 -3.446) 22.699 17.009 ( 3.855 2.329 -27.431) 27.798 17.234 ( -11.362 4.876 7.427) 14.423 17.958 ( -2.827 0.591 27.930) 28.079 18.982 ( 1.081 -17.568 6.712) 18.838 19.294 ( 10.760 -3.987 12.308) 16.827 21.090 ( 0.471 3.393 -5.361) 6.362 21.655 ( 2.459 1.431 -6.606) 7.193 ======================= Grid point 60 (31/115) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.066 9.656 3.936) 10.482 1.260 ( -1.317 9.461 10.953) 14.534 1.547 ( 2.250 0.476 13.073) 13.274 1.785 ( 3.812 -2.762 5.689) 7.384 1.966 ( -1.589 15.118 2.679) 15.436 2.075 ( -0.927 5.077 4.206) 6.658 2.129 ( 2.524 3.027 14.007) 14.551 2.467 ( -0.913 -1.990 1.426) 2.613 2.614 ( -0.291 -8.265 2.172) 8.551 2.863 ( 3.001 -7.360 -1.763) 8.141 2.981 ( -0.678 -0.029 -1.039) 1.241 3.245 ( 0.856 0.341 0.549) 1.073 3.620 ( 0.228 0.366 -2.934) 2.966 3.659 ( -2.096 6.664 0.982) 7.055 3.794 ( -1.766 -2.986 -1.549) 3.799 3.881 ( 3.097 1.480 -3.768) 5.097 4.179 ( 2.015 -1.012 5.060) 5.540 4.219 ( 2.040 6.505 -2.041) 7.116 4.337 ( -6.039 2.574 -2.730) 7.109 4.496 ( 0.080 3.844 1.912) 4.294 4.750 ( 1.366 -3.169 4.027) 5.304 4.842 ( -0.404 9.634 -1.942) 9.836 4.983 ( -6.545 -5.055 3.029) 8.808 5.626 ( -2.116 3.581 5.461) 6.864 5.834 ( -1.734 -0.257 4.578) 4.902 6.086 ( 2.844 4.743 -1.446) 5.716 6.436 ( 0.528 -6.245 -2.140) 6.622 6.512 ( 1.435 -5.030 -0.988) 5.323 7.043 ( -1.395 -1.977 13.809) 14.019 8.027 ( 0.049 -2.066 -7.901) 8.166 8.263 ( -1.733 3.320 -7.051) 7.984 8.459 ( 0.728 -4.473 2.187) 5.032 9.239 ( 6.399 -3.822 12.296) 14.379 11.089 ( 1.817 0.121 -1.840) 2.589 11.661 ( -0.578 -2.752 1.538) 3.205 12.065 ( 0.776 4.563 -3.520) 5.815 12.316 ( 0.132 -1.988 6.681) 6.972 12.901 ( -0.421 -7.200 -0.102) 7.213 13.083 ( -0.833 -1.355 -0.777) 1.770 14.180 ( 0.453 6.777 -7.884) 10.407 15.114 ( -2.620 -7.412 2.347) 8.204 16.911 ( -10.029 2.794 -18.271) 21.029 17.290 ( 5.394 1.332 3.595) 6.617 18.011 ( 3.160 -0.339 25.427) 25.625 18.671 ( -0.517 -12.271 -1.018) 12.324 19.336 ( -1.728 -3.129 12.471) 12.973 21.149 ( 1.802 1.624 -4.703) 5.291 21.662 ( -1.469 -0.120 -8.953) 9.074 ======================= Grid point 61 (32/115) ======================= q-point: ( 0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -3.298 12.218 3.094) 13.028 1.316 ( 5.053 10.822 13.355) 17.917 1.476 ( -8.003 4.089 8.482) 12.358 1.874 ( -2.722 8.699 4.343) 10.096 2.035 ( 4.401 -2.407 7.831) 9.300 2.080 ( 2.915 7.351 -1.011) 7.972 2.252 ( 8.358 -1.618 17.236) 19.224 2.378 ( -4.152 -6.110 -2.084) 7.675 2.748 ( 7.913 -3.921 3.538) 9.514 2.960 ( 3.569 -5.026 -2.003) 6.481 2.990 ( 2.500 -0.972 -2.112) 3.414 3.249 ( 0.038 0.197 1.666) 1.678 3.616 ( -0.153 -1.047 -3.695) 3.843 3.650 ( 1.617 6.477 1.140) 6.772 3.745 ( -2.107 -1.732 -4.402) 5.179 3.969 ( 5.415 -0.216 -2.602) 6.012 4.126 ( -7.529 2.626 -1.818) 8.178 4.225 ( -1.640 1.322 5.039) 5.461 4.288 ( 3.176 4.711 0.352) 5.693 4.454 ( -3.992 2.630 -2.700) 5.490 4.754 ( -2.865 -4.305 2.907) 5.932 4.811 ( -2.829 12.106 0.141) 12.433 4.901 ( 1.213 -3.612 4.136) 5.624 5.581 ( -2.081 4.645 7.093) 8.730 5.846 ( 2.253 -3.634 1.646) 4.582 6.162 ( 3.243 4.896 -1.198) 5.993 6.442 ( 0.278 -6.131 -1.609) 6.344 6.528 ( -0.132 -4.883 -0.292) 4.893 7.034 ( -1.151 -1.669 13.615) 13.765 8.071 ( 4.958 -0.587 -9.120) 10.397 8.224 ( -1.029 4.106 -7.588) 8.689 8.483 ( 1.123 -3.538 0.473) 3.742 9.271 ( -5.416 -7.128 15.853) 18.207 11.120 ( 0.949 0.388 -2.076) 2.315 11.657 ( 0.001 -3.013 2.291) 3.785 12.075 ( 0.475 4.662 -2.694) 5.405 12.314 ( -1.171 -1.456 6.349) 6.618 12.893 ( -0.212 -7.563 0.311) 7.572 13.132 ( 5.170 -4.124 -1.382) 6.756 14.024 ( -12.092 6.283 -6.396) 15.054 15.153 ( 5.178 -9.753 -0.440) 11.051 16.744 ( -2.368 2.842 -18.005) 18.381 17.405 ( 4.427 1.054 2.977) 5.438 18.165 ( 7.531 -2.532 25.285) 26.504 18.624 ( -4.042 -9.768 0.300) 10.575 19.203 ( -11.146 -2.596 10.690) 15.660 21.207 ( 3.704 2.413 -3.764) 5.806 21.587 ( -3.535 0.333 -9.797) 10.421 ======================= Grid point 62 (33/115) ======================= q-point: ( 0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 5.660 10.436 3.116) 12.274 1.280 ( -10.095 1.145 8.948) 13.539 1.486 ( 7.298 13.022 9.846) 17.882 1.783 ( -3.798 8.406 7.808) 12.085 2.042 ( -3.893 -2.369 12.192) 13.016 2.155 ( 2.583 7.742 -2.433) 8.517 2.301 ( -3.305 -2.769 -1.710) 4.638 2.460 ( 6.181 -0.023 5.652) 8.376 2.820 ( -0.518 -11.314 1.383) 11.410 3.016 ( 1.318 1.064 -3.244) 3.659 3.047 ( 2.443 -0.165 -4.509) 5.131 3.276 ( 1.308 -0.538 4.458) 4.677 3.611 ( 0.263 -0.963 -3.733) 3.864 3.668 ( -1.849 3.319 -5.455) 6.648 3.759 ( 5.823 2.376 1.253) 6.413 3.971 ( -4.061 0.882 0.652) 4.207 4.075 ( 0.062 2.892 -4.914) 5.702 4.159 ( -6.287 1.410 -0.786) 6.491 4.302 ( 0.701 -1.253 0.172) 1.446 4.446 ( 4.639 3.306 3.874) 6.888 4.662 ( -3.895 -5.458 1.459) 6.862 4.795 ( 0.485 15.020 3.105) 15.345 4.982 ( 4.331 -4.624 8.170) 10.339 5.565 ( -0.624 3.214 7.912) 8.563 5.901 ( 1.758 -4.285 2.186) 5.121 6.203 ( 0.965 3.665 -4.387) 5.798 6.438 ( -0.768 -4.648 1.627) 4.984 6.507 ( -1.260 -4.733 -2.304) 5.412 7.035 ( -0.519 -1.634 13.167) 13.278 8.193 ( 4.332 0.117 -10.153) 11.039 8.201 ( 2.713 5.801 -8.376) 10.544 8.498 ( 0.301 -2.527 -1.869) 3.157 9.091 ( -11.853 -4.655 16.347) 20.722 11.117 ( -0.824 1.226 -4.167) 4.421 11.665 ( 0.316 -2.920 3.354) 4.458 12.074 ( -0.242 4.597 -2.313) 5.151 12.292 ( -1.335 -1.570 5.155) 5.552 12.897 ( 0.385 -7.430 1.545) 7.599 13.263 ( 5.756 -7.561 -2.270) 9.770 13.764 ( -8.540 5.591 -2.964) 10.629 15.270 ( 4.547 -14.200 -1.103) 14.951 16.755 ( 5.242 2.490 -18.265) 19.165 17.480 ( 1.956 0.558 3.362) 3.929 18.349 ( 0.735 -8.373 25.866) 27.197 18.514 ( -2.599 -2.478 5.704) 6.740 18.984 ( -7.282 -2.535 5.338) 9.378 21.255 ( 0.242 4.691 -4.995) 6.857 21.533 ( 0.758 -1.062 -7.809) 7.918 ======================= Grid point 63 (34/115) ======================= q-point: (-0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -4.450 9.011 3.714) 10.714 1.234 ( 6.497 0.902 5.545) 8.589 1.590 ( 0.701 8.039 13.910) 16.081 1.769 ( -1.650 4.100 9.931) 10.870 1.948 ( -3.091 5.822 5.529) 8.604 2.154 ( -2.071 4.116 -0.367) 4.622 2.217 ( -4.369 2.645 -0.814) 5.171 2.503 ( -1.484 -3.260 0.720) 3.653 2.798 ( -2.515 -7.904 0.917) 8.345 2.954 ( -4.662 1.492 -5.378) 7.272 3.101 ( 2.185 -0.563 -2.419) 3.308 3.252 ( -4.637 -0.679 4.606) 6.571 3.610 ( 0.465 0.508 -4.312) 4.366 3.685 ( 4.102 -0.617 -3.301) 5.301 3.803 ( -3.508 6.472 1.840) 7.589 3.891 ( -4.806 0.053 -5.192) 7.075 4.020 ( 4.098 1.486 -1.390) 4.575 4.151 ( 2.106 2.984 3.291) 4.916 4.355 ( 2.588 0.628 3.187) 4.154 4.511 ( -0.728 3.090 1.766) 3.633 4.634 ( 1.836 -5.264 2.325) 6.040 4.830 ( 1.976 13.569 0.386) 13.717 5.079 ( 2.678 -6.828 10.048) 12.440 5.577 ( 0.915 1.824 8.788) 9.022 5.907 ( -1.483 -1.815 3.692) 4.373 6.185 ( -2.190 3.020 -6.358) 7.371 6.420 ( -0.765 -3.913 3.791) 5.502 6.483 ( -0.333 -5.210 -5.005) 7.232 7.045 ( -0.412 -1.869 13.118) 13.257 8.167 ( -2.009 2.352 -8.099) 8.670 8.316 ( 3.761 0.860 -9.447) 10.204 8.493 ( -0.852 -1.900 -3.376) 3.966 8.913 ( -3.585 0.919 14.266) 14.738 11.084 ( -1.200 1.417 -5.202) 5.523 11.675 ( 0.038 -2.694 3.364) 4.310 12.062 ( -0.376 4.461 -2.940) 5.356 12.281 ( -0.192 -2.071 4.902) 5.325 12.908 ( 0.260 -7.380 1.887) 7.622 13.273 ( -4.425 -6.251 -2.333) 8.006 13.777 ( 9.663 5.309 -1.682) 11.153 15.309 ( -1.173 -14.688 0.410) 14.741 16.888 ( 8.809 1.752 -17.061) 19.281 17.475 ( -3.769 0.122 1.573) 4.086 18.145 ( -14.300 -0.663 23.360) 27.397 18.609 ( 3.434 -11.177 7.233) 13.749 19.008 ( 8.348 -0.797 8.315) 11.809 21.209 ( -2.745 4.117 -6.592) 8.242 21.589 ( 4.251 -0.916 -5.817) 7.263 ======================= Grid point 64 (35/115) ======================= q-point: (-0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.905 9.744 2.518) 10.105 1.296 ( -1.869 6.008 10.273) 12.046 1.546 ( -5.919 -3.537 6.094) 9.202 1.741 ( 1.662 2.208 12.224) 12.533 1.974 ( 1.656 13.868 2.278) 14.151 2.097 ( -3.160 0.662 9.045) 9.604 2.125 ( -2.987 7.842 0.393) 8.401 2.471 ( -0.872 -2.580 0.757) 2.826 2.687 ( -5.740 -5.032 1.606) 7.800 2.880 ( -2.145 -5.241 -4.931) 7.509 3.048 ( -5.945 -0.836 1.002) 6.087 3.211 ( 1.639 0.102 0.645) 1.764 3.617 ( 0.445 0.569 -3.239) 3.318 3.716 ( -2.968 5.567 2.434) 6.762 3.790 ( 2.653 0.234 -0.595) 2.729 3.838 ( 0.999 1.662 -4.753) 5.133 4.113 ( 3.354 -1.063 2.136) 4.116 4.188 ( 1.243 4.742 -0.765) 4.962 4.410 ( 0.440 4.136 3.458) 5.409 4.476 ( -0.433 1.193 -0.477) 1.356 4.700 ( 2.870 -3.336 3.471) 5.604 4.852 ( 0.016 10.042 -1.166) 10.109 5.088 ( -3.105 -6.197 6.640) 9.599 5.624 ( 1.513 0.735 7.511) 7.697 5.870 ( -2.063 2.374 6.931) 7.612 6.103 ( -3.592 3.022 -5.959) 7.586 6.424 ( 0.598 -5.052 0.433) 5.105 6.484 ( 1.072 -5.255 -3.440) 6.372 7.050 ( -0.926 -2.084 13.517) 13.708 8.085 ( -3.815 -0.740 -7.864) 8.772 8.317 ( -1.804 0.907 -8.240) 8.484 8.456 ( -1.111 -3.434 2.116) 4.184 9.024 ( 9.907 2.661 9.343) 13.875 11.067 ( 0.379 0.856 -3.832) 3.945 11.673 ( -0.616 -2.616 2.263) 3.513 12.057 ( 0.355 4.438 -3.616) 5.736 12.296 ( 0.677 -2.300 5.740) 6.221 12.909 ( -0.308 -7.256 0.931) 7.322 13.155 ( -5.142 -2.833 -0.974) 5.951 14.034 ( 12.058 6.451 -4.788) 14.489 15.225 ( -6.158 -11.327 2.071) 13.058 17.041 ( 5.716 1.272 -20.299) 21.127 17.300 ( -10.399 1.685 4.563) 11.481 17.976 ( -4.018 0.997 26.277) 26.601 18.659 ( 1.438 -13.395 0.264) 13.475 19.236 ( 8.641 -1.948 12.773) 15.544 21.152 ( -1.311 2.470 -5.969) 6.591 21.660 ( 2.583 -0.494 -6.928) 7.410 ======================= Grid point 65 (36/115) ======================= q-point: ( 0.00 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.847 4.429 3.337) 5.610 1.348 ( -1.161 0.467 22.008) 22.044 1.567 ( 11.076 0.621 -0.758) 11.119 1.757 ( 0.638 0.334 4.519) 4.576 2.133 ( -0.966 1.305 16.258) 16.339 2.182 ( -0.128 3.266 -1.439) 3.571 2.244 ( -3.189 7.903 1.271) 8.617 2.401 ( -10.251 -4.445 0.363) 11.179 2.516 ( 8.213 -1.594 4.921) 9.706 2.740 ( 2.701 -3.557 -1.521) 4.718 2.980 ( -1.258 -0.078 -0.404) 1.323 3.247 ( 1.047 -0.066 -0.066) 1.052 3.613 ( -0.317 -0.247 -3.635) 3.657 3.710 ( -1.694 -0.544 -0.011) 1.779 3.820 ( -2.587 2.558 -0.106) 3.640 3.902 ( 1.997 0.943 -4.618) 5.119 4.128 ( 2.410 -1.847 8.154) 8.701 4.309 ( -0.116 1.362 -4.738) 4.931 4.430 ( -3.510 5.225 -2.573) 6.800 4.542 ( 0.348 1.593 3.999) 4.318 4.657 ( 0.421 -5.285 5.481) 7.626 4.896 ( -4.144 -1.412 1.721) 4.704 5.027 ( 0.099 4.884 -3.045) 5.757 5.659 ( 2.030 0.077 0.591) 2.115 5.833 ( -5.964 0.370 7.584) 9.656 6.193 ( 2.579 4.997 -0.204) 5.627 6.300 ( 1.196 -6.019 -6.743) 9.118 6.448 ( 0.487 -1.411 6.545) 6.713 7.017 ( -1.075 -0.606 11.988) 12.052 7.996 ( 0.042 -0.820 -7.713) 7.757 8.273 ( -0.655 -0.911 -2.232) 2.498 8.410 ( 0.370 -0.643 3.149) 3.235 9.204 ( 3.068 -0.396 3.447) 4.631 11.090 ( 1.668 -0.028 -3.634) 3.998 11.611 ( -0.800 -1.500 1.999) 2.624 12.158 ( 0.702 3.455 -1.414) 3.799 12.283 ( 0.703 -1.231 7.224) 7.362 12.782 ( -0.938 -3.486 1.366) 3.860 13.073 ( -0.879 -0.061 -2.076) 2.255 14.271 ( 0.142 2.178 -7.896) 8.192 15.012 ( -1.942 -2.488 3.872) 4.996 16.943 ( -9.597 0.656 -17.803) 20.235 17.309 ( 5.038 0.518 4.607) 6.846 18.008 ( 1.998 -0.024 24.165) 24.248 18.490 ( 0.885 -4.770 -3.294) 5.864 19.293 ( -1.999 -1.087 13.296) 13.489 21.173 ( 1.729 0.638 -5.325) 5.635 21.656 ( -1.006 -0.238 -8.719) 8.780 ======================= Grid point 66 (37/115) ======================= q-point: ( 0.20 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -0.462 6.003 3.395) 6.913 1.361 ( -2.199 -1.543 24.045) 24.195 1.690 ( 0.765 11.444 -2.331) 11.704 1.873 ( 3.879 -5.965 1.189) 7.214 2.058 ( -4.829 2.229 8.258) 9.823 2.215 ( 3.784 4.054 -1.635) 5.781 2.243 ( 5.112 0.520 14.526) 15.408 2.286 ( -1.524 -2.836 0.420) 3.247 2.695 ( 4.949 -1.608 1.745) 5.489 2.877 ( 8.931 -2.048 -0.867) 9.204 2.981 ( 1.511 -0.243 -1.586) 2.204 3.250 ( -0.348 -0.035 0.657) 0.745 3.591 ( -0.781 -0.791 -4.305) 4.446 3.691 ( 0.545 -0.411 -2.198) 2.302 3.792 ( 0.681 3.092 -0.546) 3.213 3.967 ( 4.551 -0.060 -3.586) 5.795 4.159 ( -7.168 1.194 -0.628) 7.294 4.193 ( -1.409 -1.948 5.323) 5.841 4.413 ( 0.894 4.621 -0.966) 4.805 4.487 ( -6.274 0.965 -2.368) 6.775 4.642 ( -2.726 -5.093 3.881) 6.959 4.837 ( -0.312 -0.498 7.213) 7.237 5.054 ( 2.087 6.703 -3.439) 7.818 5.650 ( -2.697 1.576 3.535) 4.717 5.782 ( 0.807 -1.745 5.231) 5.574 6.236 ( 1.117 1.542 -6.555) 6.826 6.334 ( 2.408 -2.896 -0.553) 3.807 6.459 ( -0.451 -1.682 6.354) 6.588 7.013 ( -0.844 -0.472 11.863) 11.902 8.055 ( 6.102 -0.579 -8.966) 10.861 8.255 ( -0.552 -0.049 -2.673) 2.730 8.440 ( 1.697 -0.802 1.626) 2.484 9.189 ( -5.049 -1.510 6.701) 8.524 11.124 ( 1.574 0.033 -3.797) 4.110 11.603 ( -0.135 -1.616 2.424) 2.916 12.168 ( 0.234 3.279 -0.610) 3.343 12.292 ( -0.970 -0.731 7.217) 7.318 12.770 ( -0.178 -3.593 1.476) 3.889 13.084 ( 2.418 -0.967 -2.878) 3.881 14.109 ( -12.553 2.043 -7.027) 14.530 15.017 ( 1.812 -3.397 2.600) 4.646 16.782 ( -2.158 0.941 -18.017) 18.170 17.419 ( 4.058 0.360 4.629) 6.167 18.125 ( 5.229 -1.044 23.323) 23.925 18.477 ( -1.587 -3.931 -2.699) 5.025 19.167 ( -10.498 -0.912 12.749) 16.540 21.241 ( 4.806 0.806 -4.366) 6.543 21.589 ( -3.690 -0.007 -9.624) 10.307 ======================= Grid point 67 (38/115) ======================= q-point: ( 0.40 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.104 6.061 6.407) 8.820 1.270 ( -6.176 -1.644 9.655) 11.579 1.750 ( 4.652 11.277 4.000) 12.838 1.883 ( -1.697 0.698 5.761) 6.046 1.968 ( -4.313 -4.250 11.482) 12.981 2.242 ( -0.331 0.341 -1.897) 1.956 2.304 ( 2.434 2.640 -2.382) 4.310 2.464 ( 6.890 0.069 7.123) 9.910 2.662 ( -4.261 -3.920 0.776) 5.842 3.029 ( 3.454 0.799 -3.199) 4.775 3.046 ( 3.679 -0.438 -2.625) 4.541 3.263 ( 0.978 -0.458 3.149) 3.329 3.591 ( 1.370 -0.588 -4.171) 4.429 3.694 ( -1.074 0.141 -7.419) 7.498 3.840 ( 3.476 3.510 -0.322) 4.950 3.985 ( -2.364 1.189 0.463) 2.686 4.077 ( 2.090 -2.571 0.683) 3.383 4.185 ( -9.477 1.429 -0.351) 9.590 4.289 ( 1.193 -0.122 1.038) 1.586 4.476 ( 2.649 -0.465 2.370) 3.585 4.584 ( -2.689 -1.647 2.424) 3.977 4.896 ( 3.314 -0.478 12.308) 12.756 5.083 ( 0.908 7.610 -3.982) 8.637 5.588 ( -3.147 -0.574 3.061) 4.428 5.844 ( 3.246 -1.002 8.383) 9.045 6.234 ( 0.215 -0.666 -9.835) 9.860 6.369 ( 0.246 -0.997 -0.548) 1.164 6.446 ( -1.463 -1.398 6.524) 6.831 7.015 ( -0.488 -0.408 11.417) 11.435 8.190 ( 6.025 -0.228 -10.301) 11.936 8.250 ( 0.708 0.221 -2.717) 2.816 8.470 ( 0.877 -0.536 -1.133) 1.530 9.040 ( -8.431 -0.773 8.548) 12.031 11.132 ( -0.271 0.342 -5.717) 5.734 11.612 ( 0.461 -1.621 3.574) 3.952 12.164 ( -0.523 3.176 -0.081) 3.220 12.267 ( -1.837 -0.876 5.865) 6.208 12.779 ( 0.613 -3.343 2.505) 4.222 13.160 ( 4.123 -2.443 -3.386) 5.868 13.840 ( -8.415 1.808 -3.903) 9.450 15.074 ( 2.547 -4.756 2.850) 6.102 16.795 ( 5.073 1.158 -17.678) 18.428 17.486 ( 1.366 0.142 5.133) 5.313 18.242 ( 0.103 -2.359 23.689) 23.806 18.433 ( -1.415 -3.127 -2.328) 4.147 18.965 ( -6.827 -0.162 12.147) 13.935 21.322 ( 1.449 1.676 -5.018) 5.486 21.514 ( -0.268 -0.576 -8.630) 8.653 ======================= Grid point 68 (39/115) ======================= q-point: (-0.40 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -0.499 0.684 2.711) 2.840 1.248 ( 1.555 1.512 3.137) 3.813 1.720 ( -10.545 3.228 14.503) 18.220 1.833 ( -1.236 2.990 5.728) 6.579 2.018 ( 5.574 0.190 8.620) 10.267 2.226 ( -1.408 4.722 -1.648) 5.196 2.311 ( -1.523 3.249 -2.377) 4.304 2.403 ( -5.131 -5.394 -0.148) 7.445 2.712 ( 2.378 -1.429 3.402) 4.390 2.976 ( -7.604 0.646 -5.123) 9.191 3.096 ( 1.557 -0.021 -2.160) 2.663 3.246 ( -3.893 -0.066 4.686) 6.093 3.612 ( 0.745 -0.037 -4.683) 4.742 3.683 ( 2.240 0.201 -3.371) 4.052 3.843 ( -2.908 -0.375 -8.104) 8.618 3.987 ( -2.550 5.935 5.579) 8.535 4.029 ( 1.678 0.814 -0.543) 1.943 4.133 ( 4.333 -4.147 4.747) 7.649 4.400 ( 4.620 2.949 2.961) 6.230 4.517 ( -0.895 -3.512 0.122) 3.626 4.563 ( 1.932 0.250 4.832) 5.210 4.982 ( 2.401 -2.017 9.956) 10.439 5.078 ( -0.714 7.929 -3.844) 8.841 5.544 ( -0.660 -3.138 2.361) 3.982 5.915 ( 1.624 1.282 11.838) 12.017 6.224 ( -0.094 0.384 -10.660) 10.668 6.336 ( -2.698 -2.417 -2.597) 4.457 6.426 ( -1.004 -1.068 6.611) 6.771 7.022 ( -0.507 -0.491 11.278) 11.300 8.201 ( -3.136 1.443 -8.287) 8.977 8.278 ( 0.784 -2.721 -3.134) 4.224 8.473 ( -0.958 -0.411 -1.307) 1.672 8.949 ( 1.031 1.499 5.624) 5.911 11.103 ( -1.260 0.439 -6.655) 6.787 11.626 ( 0.167 -1.505 3.887) 4.172 12.151 ( -0.500 3.327 -0.598) 3.417 12.245 ( -0.706 -1.479 5.148) 5.403 12.795 ( 0.316 -3.119 2.905) 4.274 13.181 ( -2.028 -2.335 -2.817) 4.184 13.855 ( 9.916 1.968 -2.749) 10.476 15.107 ( -0.324 -4.910 4.166) 6.448 16.921 ( 8.225 1.054 -15.710) 17.764 17.474 ( -3.868 -0.093 3.422) 5.166 18.136 ( -10.574 -0.068 23.754) 26.001 18.427 ( 0.831 -5.288 -2.564) 5.935 19.005 ( 7.620 0.037 13.508) 15.509 21.267 ( -3.891 1.431 -7.082) 8.206 21.572 ( 4.798 -0.505 -6.419) 8.030 ======================= Grid point 69 (40/115) ======================= q-point: (-0.20 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 1.458 6.010 0.620) 6.216 1.305 ( 3.656 -3.724 0.726) 5.269 1.509 ( -8.173 0.043 16.715) 18.607 1.792 ( -3.040 1.837 5.012) 6.143 2.108 ( 0.924 1.054 11.562) 11.647 2.205 ( -0.591 6.063 -1.856) 6.368 2.262 ( -0.791 5.606 0.956) 5.742 2.387 ( 2.668 -5.093 3.035) 6.501 2.642 ( -9.060 -0.355 0.976) 9.120 2.793 ( -6.726 -2.401 -3.948) 8.160 3.045 ( -4.899 0.099 1.300) 5.069 3.213 ( 1.518 0.038 0.084) 1.521 3.617 ( 0.276 -0.111 -3.845) 3.856 3.727 ( 0.714 -0.506 0.983) 1.316 3.829 ( 1.797 0.085 -5.146) 5.451 3.925 ( -3.379 4.848 2.783) 6.532 4.071 ( 1.833 -1.697 4.623) 5.254 4.255 ( 4.937 1.453 -2.476) 5.711 4.483 ( 1.213 0.149 0.611) 1.366 4.491 ( 0.861 2.927 2.829) 4.161 4.622 ( 2.068 -3.355 5.796) 7.009 4.977 ( -3.320 -1.012 2.964) 4.564 5.055 ( -1.348 4.464 -2.262) 5.183 5.585 ( 3.707 -2.419 2.025) 4.867 5.929 ( -2.610 1.981 12.086) 12.523 6.184 ( -1.778 4.634 -5.468) 7.385 6.294 ( 0.059 -6.248 -7.229) 9.555 6.428 ( 0.277 -1.065 6.809) 6.897 7.023 ( -0.897 -0.610 11.622) 11.673 8.075 ( -5.752 -0.183 -7.833) 9.720 8.283 ( 0.076 -2.092 -1.965) 2.871 8.428 ( -2.317 -0.195 2.350) 3.306 9.073 ( 7.719 1.483 1.640) 8.029 11.077 ( -0.064 0.227 -5.359) 5.365 11.625 ( -0.661 -1.445 2.888) 3.296 12.148 ( 0.351 3.501 -1.339) 3.765 12.254 ( 0.754 -1.698 5.927) 6.211 12.796 ( -0.502 -3.154 2.269) 3.917 13.117 ( -2.785 -0.893 -1.805) 3.437 14.126 ( 12.684 2.311 -5.478) 14.008 15.071 ( -3.287 -3.745 4.730) 6.870 17.064 ( 5.227 0.695 -17.694) 18.463 17.317 ( -9.136 0.287 4.554) 10.212 17.993 ( -4.468 0.563 25.195) 25.595 18.458 ( 2.161 -5.414 -3.621) 6.863 19.209 ( 7.318 -0.678 14.006) 15.817 21.187 ( -2.129 0.886 -6.471) 6.870 21.649 ( 2.717 -0.378 -7.274) 7.774 ======================= Grid point 90 (41/115) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -1.879 0.000 17.580) 17.681 0.692 ( 0.405 0.000 20.533) 20.537 1.491 ( -3.252 0.000 27.963) 28.151 1.762 ( -2.736 0.000 1.089) 2.945 2.350 ( -2.892 0.000 17.808) 18.042 2.379 ( 0.172 0.000 13.272) 13.273 2.422 ( 3.536 0.000 2.545) 4.357 2.718 ( 18.867 0.000 2.369) 19.015 2.796 ( 1.508 0.000 -0.798) 1.706 3.127 ( 2.806 0.000 -3.075) 4.163 3.148 ( 0.432 0.000 -7.690) 7.703 3.239 ( 3.258 0.000 2.396) 4.044 3.509 ( 1.486 0.000 2.481) 2.892 3.582 ( 2.324 0.000 -3.184) 3.942 3.616 ( -2.476 0.000 -5.913) 6.411 3.668 ( -8.214 0.000 8.585) 11.881 3.976 ( 1.306 0.000 6.761) 6.886 4.055 ( -6.643 0.000 1.219) 6.754 4.148 ( -1.394 0.000 6.095) 6.252 4.414 ( 2.453 0.000 -2.123) 3.244 4.446 ( -1.784 0.000 0.340) 1.816 5.019 ( 0.089 0.000 9.275) 9.275 5.335 ( -1.117 0.000 11.981) 12.033 5.552 ( -4.208 0.000 -0.520) 4.239 5.689 ( -0.087 0.000 1.700) 1.702 5.926 ( 0.732 0.000 -6.997) 7.035 6.581 ( -0.206 0.000 -9.017) 9.019 6.790 ( 1.798 0.000 9.239) 9.413 7.359 ( 2.627 0.000 -15.138) 15.364 7.495 ( -1.383 0.000 15.906) 15.966 7.962 ( -1.011 0.000 -9.744) 9.796 8.622 ( 0.315 0.000 -5.515) 5.524 10.695 ( 15.059 0.000 -8.403) 17.245 10.883 ( 3.046 0.000 -7.887) 8.455 11.842 ( 1.088 0.000 -2.179) 2.436 11.924 ( 10.121 0.000 6.346) 11.946 12.530 ( -0.734 0.000 5.793) 5.840 13.053 ( 9.064 0.000 -4.460) 10.102 13.273 ( -3.088 0.000 4.221) 5.230 13.637 ( 2.565 0.000 -4.093) 4.831 15.614 ( -13.041 0.000 -8.860) 15.766 16.197 ( 0.651 0.000 -8.789) 8.813 17.331 ( -1.856 0.000 14.893) 15.008 18.584 ( -0.656 0.000 29.652) 29.659 19.193 ( -0.928 0.000 -9.375) 9.421 20.293 ( -8.788 0.000 6.560) 10.967 20.953 ( 2.455 0.000 -7.576) 7.963 21.241 ( -1.709 0.000 -8.139) 8.317 ======================= Grid point 91 (42/115) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 6.394 0.000 15.686) 16.939 0.824 ( 7.995 0.000 17.870) 19.577 1.511 ( 0.306 0.000 23.628) 23.630 1.651 ( -6.665 0.000 0.743) 6.707 2.101 ( -10.551 0.000 23.785) 26.020 2.479 ( 1.940 0.000 -2.580) 3.228 2.522 ( 1.471 0.000 15.277) 15.348 2.797 ( -10.924 0.000 -6.779) 12.856 2.868 ( 2.788 0.000 1.884) 3.365 3.093 ( -2.678 0.000 -4.145) 4.935 3.163 ( 1.398 0.000 -5.110) 5.297 3.417 ( 9.458 0.000 5.692) 11.038 3.480 ( 0.451 0.000 4.405) 4.428 3.516 ( -5.412 0.000 -4.773) 7.216 3.615 ( 1.313 0.000 -2.711) 3.012 3.735 ( 0.916 0.000 -4.999) 5.083 4.005 ( 2.148 0.000 2.396) 3.218 4.024 ( 7.181 0.000 5.958) 9.331 4.062 ( -6.813 0.000 3.852) 7.826 4.442 ( 1.124 0.000 1.876) 2.187 4.453 ( 1.133 0.000 -1.479) 1.864 4.997 ( -2.904 0.000 7.459) 8.005 5.395 ( 4.336 0.000 12.822) 13.535 5.522 ( 1.328 0.000 -0.085) 1.331 5.702 ( 1.089 0.000 -1.042) 1.507 6.001 ( 6.150 0.000 -4.176) 7.434 6.545 ( -1.484 0.000 -10.273) 10.379 6.824 ( -0.070 0.000 9.989) 9.990 7.361 ( -0.731 0.000 -14.070) 14.089 7.479 ( -1.968 0.000 15.972) 16.093 7.940 ( 0.646 0.000 -10.565) 10.585 8.617 ( -0.036 0.000 -5.806) 5.806 10.543 ( -21.037 0.000 -3.944) 21.404 10.908 ( -0.018 0.000 -8.663) 8.663 11.859 ( 0.504 0.000 -1.523) 1.604 11.888 ( -8.019 0.000 8.575) 11.741 12.512 ( -1.538 0.000 5.484) 5.696 13.211 ( -2.394 0.000 4.018) 4.677 13.307 ( 5.141 0.000 -11.871) 12.937 13.923 ( 15.907 0.000 -7.062) 17.404 15.553 ( 11.644 0.000 -12.735) 17.256 16.216 ( 2.008 0.000 -8.525) 8.758 17.312 ( -1.701 0.000 15.151) 15.246 18.625 ( 0.210 0.000 32.151) 32.152 19.158 ( -1.403 0.000 -9.435) 9.539 19.975 ( -16.512 0.000 15.941) 22.952 20.895 ( -4.802 0.000 -9.620) 10.752 21.295 ( 5.776 0.000 -6.008) 8.334 ======================= Grid point 92 (43/115) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 12.025 0.000 4.999) 13.022 0.993 ( 3.034 0.000 14.516) 14.830 1.497 ( -3.553 0.000 19.093) 19.420 1.540 ( -1.899 0.000 1.830) 2.637 1.964 ( -8.096 0.000 22.563) 23.972 2.453 ( -9.231 0.000 16.336) 18.764 2.495 ( -0.867 0.000 -6.822) 6.877 2.577 ( -3.415 0.000 1.576) 3.761 2.801 ( -5.792 0.000 -2.921) 6.487 3.144 ( 5.851 0.000 0.901) 5.920 3.210 ( 2.855 0.000 -2.828) 4.019 3.371 ( -6.105 0.000 -3.245) 6.914 3.542 ( 3.172 0.000 -1.864) 3.679 3.547 ( 0.134 0.000 -1.216) 1.223 3.638 ( -0.676 0.000 -1.334) 1.496 3.662 ( -1.963 0.000 -0.401) 2.003 3.960 ( -0.057 0.000 7.590) 7.590 3.994 ( -2.119 0.000 8.144) 8.416 4.255 ( 7.883 0.000 -2.440) 8.252 4.449 ( -1.159 0.000 -3.753) 3.927 4.481 ( 1.822 0.000 2.740) 3.291 4.939 ( -2.825 0.000 5.980) 6.614 5.489 ( 1.506 0.000 10.188) 10.298 5.597 ( 4.968 0.000 0.926) 5.054 5.726 ( 1.015 0.000 -1.485) 1.799 6.111 ( 3.144 0.000 -4.027) 5.109 6.513 ( 0.289 0.000 -10.427) 10.431 6.813 ( -2.310 0.000 11.595) 11.823 7.303 ( -2.020 0.000 -12.854) 13.012 7.465 ( -1.194 0.000 15.172) 15.219 7.961 ( 2.467 0.000 -11.807) 12.062 8.608 ( 0.118 0.000 -5.911) 5.912 10.031 ( -23.541 0.000 13.603) 27.189 10.865 ( -2.220 0.000 -10.141) 10.381 11.776 ( -3.411 0.000 6.934) 7.727 11.855 ( -0.701 0.000 -0.998) 1.220 12.493 ( -0.625 0.000 5.268) 5.305 13.204 ( 1.157 0.000 5.076) 5.206 13.321 ( -0.813 0.000 -9.869) 9.903 14.016 ( -3.295 0.000 -0.590) 3.347 15.898 ( 17.028 0.000 -31.856) 36.121 16.244 ( 1.332 0.000 -7.996) 8.106 17.309 ( -0.525 0.000 15.078) 15.087 18.661 ( -2.311 0.000 37.824) 37.895 19.106 ( -0.423 0.000 -14.577) 14.583 19.802 ( -1.518 0.000 21.930) 21.982 20.795 ( -2.397 0.000 -10.273) 10.549 21.397 ( 3.660 0.000 -5.064) 6.249 ======================= Grid point 93 (44/115) ======================= q-point: (-0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -8.382 0.000 14.007) 16.323 0.982 ( -11.808 0.000 -1.481) 11.900 1.588 ( 5.986 0.000 20.300) 21.164 1.612 ( 6.546 0.000 2.787) 7.115 1.836 ( -1.552 0.000 20.739) 20.796 2.258 ( -9.190 0.000 19.486) 21.544 2.398 ( -5.141 0.000 -4.590) 6.892 2.642 ( 5.226 0.000 5.075) 7.285 2.760 ( 1.662 0.000 -4.496) 4.793 3.203 ( -2.756 0.000 -3.973) 4.835 3.233 ( -0.547 0.000 -5.955) 5.980 3.273 ( -2.629 0.000 0.602) 2.697 3.485 ( -1.724 0.000 -1.756) 2.461 3.546 ( -0.629 0.000 -5.584) 5.620 3.610 ( 0.422 0.000 -3.817) 3.840 3.746 ( 6.660 0.000 6.248) 9.132 3.939 ( -3.865 0.000 8.378) 9.227 4.052 ( 4.476 0.000 8.124) 9.275 4.305 ( -3.153 0.000 8.599) 9.158 4.421 ( -0.115 0.000 -12.203) 12.203 4.512 ( 0.336 0.000 2.818) 2.838 4.919 ( 0.514 0.000 6.697) 6.716 5.478 ( -3.401 0.000 8.516) 9.170 5.691 ( 2.679 0.000 0.301) 2.696 5.731 ( -0.519 0.000 -0.173) 0.547 6.094 ( -3.741 0.000 -5.377) 6.550 6.530 ( 2.264 0.000 -9.338) 9.609 6.767 ( -3.049 0.000 12.035) 12.415 7.274 ( 1.277 0.000 -13.351) 13.412 7.473 ( -0.167 0.000 14.560) 14.561 7.994 ( 1.713 0.000 -11.690) 11.815 8.609 ( 0.682 0.000 -5.619) 5.660 9.716 ( -5.144 0.000 26.333) 26.831 10.815 ( -0.474 0.000 -10.205) 10.216 11.739 ( -1.228 0.000 4.603) 4.764 11.835 ( -0.731 0.000 -1.361) 1.544 12.502 ( 0.600 0.000 5.428) 5.461 13.259 ( 2.587 0.000 5.913) 6.454 13.261 ( -3.603 0.000 -9.023) 9.716 13.893 ( -7.199 0.000 -1.669) 7.390 16.067 ( 2.697 0.000 -34.989) 35.093 16.242 ( -0.453 0.000 -7.941) 7.954 17.327 ( 0.045 0.000 14.777) 14.777 18.621 ( -5.168 0.000 34.548) 34.933 19.146 ( 4.932 0.000 -13.675) 14.537 19.929 ( 9.491 0.000 23.340) 25.196 20.779 ( 2.202 0.000 -9.671) 9.919 21.420 ( -1.001 0.000 -5.580) 5.669 ======================= Grid point 94 (45/115) ======================= q-point: (-0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -7.500 0.000 9.825) 12.360 0.762 ( -8.506 0.000 17.486) 19.445 1.564 ( -6.268 0.000 26.361) 27.096 1.743 ( 4.116 0.000 2.147) 4.643 2.074 ( 15.441 0.000 14.024) 20.859 2.221 ( 5.627 0.000 23.337) 24.006 2.352 ( 1.333 0.000 1.588) 2.074 2.683 ( -4.319 0.000 6.485) 7.791 2.791 ( 0.910 0.000 -3.992) 4.094 3.101 ( -3.070 0.000 -1.705) 3.512 3.181 ( -2.408 0.000 -9.172) 9.483 3.229 ( -0.667 0.000 -2.905) 2.981 3.511 ( -1.892 0.000 -0.598) 1.984 3.522 ( 3.309 0.000 -1.684) 3.713 3.632 ( 1.303 0.000 -4.845) 5.018 3.822 ( -3.549 0.000 9.792) 10.416 3.921 ( 2.504 0.000 8.151) 8.527 4.128 ( 1.812 0.000 6.654) 6.896 4.205 ( -6.433 0.000 1.130) 6.532 4.390 ( -0.581 0.000 -5.788) 5.817 4.495 ( -2.116 0.000 1.453) 2.567 4.972 ( 2.621 0.000 8.832) 9.213 5.394 ( -4.812 0.000 9.281) 10.454 5.670 ( -4.708 0.000 -1.209) 4.860 5.706 ( -1.543 0.000 1.760) 2.340 5.984 ( -4.475 0.000 -7.113) 8.403 6.569 ( 2.248 0.000 -8.229) 8.531 6.747 ( 0.111 0.000 10.783) 10.784 7.310 ( 3.432 0.000 -14.590) 14.988 7.491 ( -0.311 0.000 15.057) 15.060 7.994 ( -0.253 0.000 -10.556) 10.559 8.618 ( 0.771 0.000 -5.396) 5.451 10.017 ( 30.380 0.000 26.022) 40.001 10.827 ( 2.663 0.000 -8.859) 9.250 11.742 ( 2.030 0.000 5.172) 5.556 11.828 ( 0.373 0.000 -2.077) 2.110 12.524 ( 0.484 0.000 5.720) 5.740 13.133 ( -7.325 0.000 -7.766) 10.675 13.302 ( 0.122 0.000 5.436) 5.437 13.724 ( -7.336 0.000 -4.870) 8.805 15.930 ( -10.670 0.000 -26.571) 28.634 16.213 ( -0.807 0.000 -8.429) 8.467 17.341 ( -0.847 0.000 14.661) 14.685 18.577 ( -2.820 0.000 30.238) 30.369 19.207 ( 1.620 0.000 -11.219) 11.335 20.217 ( 11.890 0.000 14.929) 19.085 20.855 ( 5.692 0.000 -8.326) 10.086 21.344 ( -4.806 0.000 -7.158) 8.622 ======================= Grid point 95 (46/115) ======================= q-point: ( 0.00 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -5.738 9.379 13.921) 17.740 0.880 ( -0.906 13.271 15.014) 20.059 1.482 ( -0.999 1.912 20.646) 20.758 1.834 ( -2.340 5.807 4.222) 7.552 2.284 ( -8.192 -5.959 14.468) 17.662 2.328 ( 5.643 -4.932 14.938) 16.713 2.398 ( 9.806 -1.628 8.574) 13.127 2.658 ( 10.553 -3.458 5.805) 12.531 2.854 ( 2.280 3.699 -2.135) 4.841 3.039 ( 2.622 -8.536 -0.464) 8.942 3.072 ( -0.983 -5.081 -3.286) 6.130 3.237 ( 0.956 0.004 -2.467) 2.645 3.450 ( -1.512 0.471 2.728) 3.154 3.590 ( 0.458 -0.568 -3.628) 3.701 3.695 ( 4.324 5.290 0.596) 6.859 3.821 ( -4.990 9.794 0.618) 11.009 3.965 ( -4.587 -5.491 -1.960) 7.419 4.055 ( 1.607 6.651 7.750) 10.338 4.232 ( -3.939 5.194 3.704) 7.498 4.394 ( 0.467 -1.267 -0.314) 1.386 4.487 ( -1.969 3.685 -0.956) 4.286 4.966 ( 1.160 -3.501 8.700) 9.449 5.337 ( -3.735 -1.784 8.665) 9.603 5.575 ( -4.460 2.969 1.944) 5.699 5.785 ( 1.795 8.126 2.997) 8.845 5.915 ( 0.740 -1.189 -5.238) 5.422 6.547 ( -0.209 -3.349 -8.551) 9.186 6.759 ( 1.876 -2.807 8.307) 8.967 7.403 ( -0.052 0.758 0.770) 1.082 7.567 ( 0.337 9.184 -1.989) 9.403 7.935 ( -0.881 -2.396 -10.211) 10.525 8.596 ( 0.220 -2.518 -5.400) 5.963 10.377 ( 13.648 -22.698 7.222) 27.452 10.973 ( 3.789 3.344 -10.109) 11.302 11.813 ( 4.700 -5.359 3.413) 7.903 11.869 ( 1.694 1.345 2.224) 3.103 12.538 ( -0.345 -0.455 5.843) 5.871 13.013 ( 2.646 -2.394 -3.510) 5.006 13.362 ( 5.995 -0.850 0.680) 6.093 13.617 ( -3.683 4.569 -4.770) 7.563 15.502 ( -9.115 -8.621 -3.545) 13.038 16.295 ( -1.972 7.321 -13.597) 15.568 17.355 ( -0.840 2.051 13.250) 13.434 18.597 ( 1.558 0.644 28.545) 28.594 19.108 ( -1.327 -8.176 -9.132) 12.329 20.066 ( -6.480 -16.119 15.272) 23.131 20.972 ( 3.204 1.125 -7.487) 8.222 21.325 ( -3.183 5.445 -12.042) 13.594 ======================= Grid point 96 (47/115) ======================= q-point: ( 0.20 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 2.007 2.375 15.170) 15.485 0.951 ( 4.760 8.730 13.993) 17.166 1.551 ( 2.662 5.034 16.362) 17.325 1.737 ( -6.476 6.624 4.891) 10.476 2.082 ( -8.804 -1.444 22.389) 24.101 2.429 ( 2.150 -4.015 3.020) 5.464 2.534 ( 1.224 0.289 11.613) 11.681 2.703 ( -7.568 -7.502 -2.769) 11.010 2.898 ( 0.770 2.018 -0.180) 2.167 3.035 ( -1.935 -3.464 -3.564) 5.333 3.159 ( 4.059 -3.682 -6.525) 8.521 3.325 ( 7.674 -6.528 6.199) 11.829 3.445 ( 1.240 2.703 3.912) 4.914 3.588 ( 0.006 0.482 -3.772) 3.803 3.702 ( -2.962 9.393 -2.471) 10.154 3.759 ( -3.915 -0.206 -3.791) 5.454 3.981 ( 9.935 -2.512 -2.054) 10.452 4.058 ( -4.251 6.843 2.417) 8.411 4.159 ( -1.951 6.287 9.463) 11.527 4.417 ( 1.222 -1.848 0.677) 2.316 4.459 ( 0.125 0.884 0.240) 0.924 4.976 ( -2.138 -1.946 6.632) 7.234 5.330 ( 2.599 -5.196 10.235) 11.769 5.535 ( 0.283 2.416 2.817) 3.722 5.831 ( 1.934 9.315 -0.556) 9.529 5.989 ( 5.710 -1.203 -1.436) 6.009 6.516 ( -1.129 -2.842 -9.943) 10.403 6.794 ( -0.046 -2.802 8.864) 9.297 7.391 ( -1.162 0.356 2.028) 2.364 7.546 ( -1.974 8.073 -1.261) 8.406 7.922 ( 1.283 -1.542 -11.148) 11.327 8.590 ( -0.033 -2.557 -5.663) 6.214 10.330 ( -15.526 -17.102 5.047) 23.644 10.964 ( -1.838 3.216 -10.126) 10.782 11.834 ( -3.074 -3.620 5.930) 7.597 11.881 ( -0.079 1.998 0.626) 2.095 12.511 ( -2.140 -0.531 5.877) 6.277 13.109 ( 2.937 -5.421 -2.206) 6.548 13.484 ( -2.570 11.406 -6.954) 13.604 13.700 ( 13.611 -17.959 -1.607) 22.591 15.474 ( 8.818 -6.606 -7.822) 13.512 16.264 ( 0.755 3.932 -10.846) 11.561 17.369 ( 0.391 4.340 11.097) 11.921 18.699 ( 3.784 5.369 29.053) 29.786 19.057 ( -2.403 -9.277 -8.608) 12.882 19.824 ( -14.933 -11.619 19.876) 27.442 20.946 ( -3.834 3.872 -9.585) 11.026 21.317 ( 3.844 1.596 -8.571) 9.528 ======================= Grid point 97 (48/115) ======================= q-point: ( 0.40 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 8.076 -4.291 5.445) 10.644 1.085 ( 5.123 7.197 12.445) 15.262 1.547 ( -3.622 5.382 15.871) 17.146 1.654 ( -0.388 7.853 5.855) 9.803 1.982 ( -5.942 2.036 19.261) 20.259 2.423 ( -6.520 -2.326 11.775) 13.659 2.455 ( -4.945 -4.732 -0.620) 6.872 2.558 ( -2.159 -0.883 1.067) 2.565 2.834 ( -5.659 2.831 -3.819) 7.390 3.064 ( 4.304 -4.986 -0.585) 6.613 3.213 ( 2.504 -2.192 -3.999) 5.203 3.366 ( -2.387 0.175 2.385) 3.379 3.507 ( 0.906 -1.976 -3.063) 3.755 3.621 ( -0.359 2.744 -5.522) 6.177 3.648 ( 1.220 -1.114 0.962) 1.912 3.692 ( -2.097 6.439 0.676) 6.806 3.970 ( -0.321 5.183 5.826) 7.804 4.091 ( -2.435 0.498 -3.052) 3.936 4.219 ( 6.647 1.573 7.300) 9.998 4.425 ( -0.848 -1.111 0.178) 1.409 4.504 ( 3.126 1.703 1.787) 3.983 4.917 ( -3.000 -2.250 5.379) 6.557 5.435 ( 4.264 -5.328 8.869) 11.190 5.569 ( 1.822 1.742 4.643) 5.283 5.861 ( 1.044 8.463 -2.512) 8.889 6.091 ( 2.663 -2.021 -1.787) 3.790 6.490 ( 0.353 -2.209 -9.865) 10.115 6.779 ( -2.544 -2.983 10.414) 11.128 7.367 ( -0.791 2.712 -1.624) 3.258 7.503 ( -1.435 6.081 2.621) 6.776 7.954 ( 2.787 -0.557 -12.282) 12.606 8.583 ( 0.176 -2.477 -5.781) 6.292 9.913 ( -20.957 -10.055 15.945) 28.188 10.900 ( -2.479 2.708 -10.405) 11.034 11.775 ( -2.326 0.161 5.954) 6.394 11.876 ( -0.679 2.026 -0.812) 2.285 12.484 ( -0.905 -1.066 5.723) 5.891 13.156 ( 2.279 -4.013 -0.711) 4.669 13.405 ( -3.237 6.877 -4.313) 8.739 13.836 ( 0.172 -15.468 0.078) 15.469 15.733 ( 12.410 -12.480 -19.762) 26.463 16.295 ( 3.540 3.470 -11.732) 12.737 17.395 ( 0.411 6.246 9.424) 11.313 18.780 ( -3.675 9.644 35.617) 37.082 18.996 ( 0.908 -9.302 -14.105) 16.921 19.639 ( -3.212 -14.114 24.514) 28.468 20.857 ( -2.228 5.293 -10.398) 11.878 21.401 ( 3.874 -0.058 -6.848) 7.868 ======================= Grid point 98 (49/115) ======================= q-point: (-0.40 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -6.552 1.786 7.063) 9.799 1.143 ( -4.696 8.104 7.434) 11.958 1.567 ( 3.286 2.802 12.152) 12.896 1.768 ( 7.820 9.399 8.339) 14.800 1.858 ( -3.664 2.748 17.618) 18.203 2.226 ( -10.097 -2.967 18.418) 21.212 2.383 ( -4.088 -2.191 -2.969) 5.507 2.571 ( 2.394 -4.341 3.717) 6.196 2.782 ( 1.794 1.348 -4.930) 5.417 3.111 ( -1.251 -6.241 -3.972) 7.503 3.231 ( -0.210 -2.129 -0.745) 2.265 3.311 ( -4.119 1.808 -0.662) 4.547 3.483 ( -2.053 1.432 -1.532) 2.935 3.555 ( -0.398 0.632 -3.572) 3.649 3.642 ( 0.649 1.753 -5.966) 6.252 3.770 ( 4.934 3.016 5.258) 7.815 3.973 ( -3.647 1.825 4.949) 6.413 4.067 ( 2.447 1.899 5.428) 6.249 4.352 ( 4.135 -0.309 3.049) 5.147 4.377 ( -3.159 2.633 0.802) 4.190 4.550 ( 0.370 2.761 0.961) 2.947 4.896 ( 0.465 -2.369 5.939) 6.411 5.479 ( -1.599 -1.559 7.786) 8.100 5.619 ( 2.031 0.651 6.388) 6.735 5.863 ( -0.845 6.158 -4.414) 7.623 6.072 ( -3.696 -2.142 -3.647) 5.616 6.506 ( 2.069 -2.284 -8.445) 8.989 6.729 ( -2.862 -3.082 11.025) 11.800 7.367 ( 1.222 4.544 -4.394) 6.438 7.504 ( 1.030 6.083 3.482) 7.085 7.986 ( 1.360 -0.662 -12.283) 12.376 8.584 ( 0.729 -2.406 -5.517) 6.063 9.623 ( -5.702 -7.757 26.607) 28.296 10.852 ( -0.152 2.881 -10.160) 10.561 11.747 ( -1.223 0.841 3.937) 4.208 11.855 ( -0.828 1.984 -1.108) 2.418 12.490 ( 0.573 -1.312 5.830) 6.003 13.186 ( -0.305 -4.521 -4.008) 6.050 13.344 ( -1.876 4.601 1.060) 5.081 13.788 ( -3.495 -8.564 -1.848) 9.432 15.845 ( 0.537 -14.641 -18.700) 23.755 16.361 ( 3.492 6.057 -17.139) 18.510 17.399 ( -1.466 5.460 10.327) 11.773 18.654 ( -8.592 1.904 30.401) 31.649 19.074 ( 5.041 -5.388 -10.395) 12.747 19.748 ( 8.763 -15.185 26.612) 31.868 20.834 ( 1.470 4.783 -9.750) 10.959 21.441 ( 0.663 1.210 -7.520) 7.645 ======================= Grid point 99 (50/115) ======================= q-point: (-0.20 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -1.683 9.889 13.662) 16.949 0.989 ( -8.092 12.285 10.383) 18.006 1.550 ( -6.200 1.689 18.135) 19.240 1.820 ( 2.271 6.217 4.463) 7.983 2.088 ( 13.950 1.278 14.447) 20.123 2.150 ( 2.639 -5.909 21.339) 22.298 2.337 ( 0.155 -1.841 5.373) 5.682 2.601 ( -1.515 -4.636 5.544) 7.384 2.836 ( 2.398 1.439 -5.178) 5.885 3.030 ( -2.895 -6.493 -1.600) 7.286 3.163 ( -7.285 -1.636 -4.210) 8.572 3.233 ( 0.254 0.158 -2.539) 2.557 3.465 ( -0.186 0.761 0.828) 1.140 3.575 ( 1.420 0.445 -3.078) 3.419 3.664 ( 0.534 3.062 -3.116) 4.401 3.829 ( 1.444 0.833 7.230) 7.420 3.991 ( 3.394 5.999 5.632) 8.902 4.074 ( -3.318 -1.689 2.944) 4.746 4.299 ( -2.986 4.061 -1.970) 5.412 4.399 ( -0.280 1.696 2.125) 2.733 4.530 ( -1.854 3.773 0.411) 4.224 4.932 ( 1.243 -3.180 7.564) 8.299 5.418 ( -4.341 -0.004 7.717) 8.854 5.652 ( -0.810 3.196 6.181) 7.006 5.798 ( -3.743 4.505 -2.706) 6.451 5.968 ( -4.262 -1.494 -5.708) 7.279 6.540 ( 1.830 -2.873 -7.597) 8.326 6.714 ( 0.404 -2.787 9.799) 10.196 7.391 ( 1.171 2.914 -2.750) 4.174 7.542 ( 1.829 8.363 0.414) 8.571 7.973 ( -0.814 -1.837 -11.099) 11.280 8.594 ( 0.720 -2.403 -5.313) 5.876 9.849 ( 22.797 -13.253 28.231) 38.631 10.879 ( 4.054 3.550 -8.929) 10.429 11.737 ( 0.409 -0.136 3.641) 3.667 11.847 ( 0.348 1.906 -1.274) 2.319 12.516 ( 0.951 -1.068 6.015) 6.182 13.103 ( -6.225 -2.796 -6.475) 9.407 13.326 ( -0.536 -0.118 3.604) 3.645 13.704 ( -3.690 0.363 -4.727) 6.008 15.731 ( -8.495 -13.458 -13.016) 20.559 16.362 ( -1.154 8.977 -17.945) 20.099 17.371 ( -2.252 2.462 13.254) 13.668 18.569 ( -3.074 -0.824 29.135) 29.308 19.128 ( 1.171 -7.459 -9.916) 12.464 20.001 ( 8.872 -16.251 20.760) 27.817 20.887 ( 4.426 2.719 -8.427) 9.900 21.410 ( -2.298 4.083 -10.108) 11.141 ======================= Grid point 100 (51/115) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -5.475 8.642 10.751) 14.840 1.114 ( -2.371 10.171 8.388) 13.395 1.656 ( 0.023 13.794 7.248) 15.583 1.951 ( -1.804 4.082 5.450) 7.044 2.157 ( 5.335 -6.128 12.696) 15.073 2.191 ( -2.321 -4.826 21.607) 22.261 2.395 ( 8.161 0.474 10.484) 13.294 2.593 ( 2.483 -3.216 5.620) 6.935 2.848 ( 1.359 -8.381 2.470) 8.843 2.905 ( 2.933 -1.384 -4.979) 5.943 2.971 ( -1.686 -2.577 0.989) 3.235 3.238 ( 0.490 0.046 -1.825) 1.890 3.539 ( -0.685 6.149 2.460) 6.658 3.576 ( 0.034 0.096 -2.538) 2.540 3.768 ( 2.815 1.705 -2.903) 4.389 3.843 ( -2.233 -5.219 -2.334) 6.138 4.020 ( -2.201 8.478 -1.504) 8.887 4.184 ( 0.965 3.901 1.774) 4.393 4.323 ( -1.326 2.042 3.068) 3.917 4.408 ( -1.922 5.105 2.322) 5.928 4.606 ( -3.877 8.029 -1.297) 9.010 4.908 ( 1.982 -2.252 7.382) 7.969 5.265 ( -5.706 -4.642 10.223) 12.594 5.627 ( -3.209 1.294 -0.669) 3.524 5.866 ( 0.444 -1.809 -8.620) 8.819 6.006 ( 2.320 11.148 13.131) 17.381 6.443 ( -0.130 -6.635 -7.346) 9.899 6.687 ( 1.683 -3.771 6.637) 7.817 7.378 ( -1.158 -2.278 12.269) 12.532 7.818 ( -0.026 12.959 -14.636) 19.549 7.876 ( -0.368 -3.033 -11.255) 11.663 8.521 ( 0.236 -4.625 -5.137) 6.916 9.921 ( 10.104 -19.647 20.012) 29.809 11.004 ( 2.927 0.093 -8.767) 9.243 11.741 ( 1.321 -1.942 2.516) 3.442 11.928 ( 1.135 4.161 1.017) 4.431 12.507 ( -0.113 -2.066 7.463) 7.744 12.965 ( -0.098 -2.432 -2.912) 3.795 13.208 ( 1.782 -9.154 1.318) 9.419 13.818 ( -1.537 10.463 -8.505) 13.571 15.326 ( -5.146 -7.789 2.379) 9.633 16.435 ( -4.289 5.722 -17.638) 19.033 17.402 ( 0.678 2.170 11.011) 11.243 18.590 ( 3.491 -1.467 26.013) 26.287 18.875 ( -1.808 -13.409 -5.393) 14.566 19.794 ( -3.773 -9.346 19.498) 21.949 20.992 ( 3.057 0.855 -8.213) 8.805 21.404 ( -2.999 2.078 -14.015) 14.482 ======================= Grid point 101 (52/115) ======================= q-point: ( 0.20 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -4.107 10.256 10.702) 15.381 1.142 ( 3.566 10.065 8.309) 13.530 1.726 ( 3.184 10.915 6.620) 13.156 1.857 ( -6.887 3.679 10.914) 13.420 2.071 ( -5.125 1.377 16.459) 17.294 2.317 ( 3.234 -6.784 5.628) 9.389 2.536 ( -2.299 -0.747 12.252) 12.488 2.545 ( -1.446 -5.979 1.459) 6.322 2.928 ( 1.239 0.264 -0.529) 1.373 2.970 ( 0.363 -3.116 -3.035) 4.365 3.004 ( 6.632 -8.203 1.368) 10.637 3.269 ( 3.558 -0.616 0.546) 3.652 3.536 ( -0.446 3.971 0.211) 4.002 3.594 ( 2.682 1.824 0.882) 3.361 3.691 ( -6.477 -3.707 -6.787) 10.088 3.898 ( 3.306 2.431 -2.707) 4.916 3.959 ( 0.313 4.616 -2.043) 5.058 4.227 ( -3.830 7.358 0.203) 8.298 4.258 ( -0.170 2.511 3.643) 4.428 4.397 ( 1.070 0.624 3.853) 4.047 4.547 ( -0.621 9.162 1.721) 9.343 4.920 ( -2.734 -3.512 5.136) 6.796 5.225 ( 1.493 -4.697 12.380) 13.324 5.601 ( 0.478 3.205 2.751) 4.251 5.915 ( 4.537 -2.481 -6.957) 8.668 6.058 ( 0.681 8.868 9.754) 13.200 6.428 ( -0.060 -5.441 -8.318) 9.939 6.720 ( 0.151 -4.018 6.892) 7.979 7.365 ( -1.536 -2.220 12.696) 12.980 7.766 ( -2.096 10.720 -12.984) 16.968 7.894 ( 2.894 -0.217 -12.383) 12.718 8.517 ( 0.081 -4.345 -5.464) 6.981 9.951 ( -9.004 -17.990 15.525) 25.411 11.005 ( -1.209 0.797 -9.815) 9.922 11.774 ( 0.652 -2.294 3.885) 4.559 11.947 ( 0.287 4.432 1.066) 4.567 12.485 ( -2.383 -1.655 7.188) 7.752 13.004 ( 2.631 -4.885 -2.252) 5.988 13.337 ( 8.598 -15.017 1.509) 17.370 13.708 ( -6.834 9.521 -7.665) 14.004 15.324 ( 5.128 -7.282 -0.497) 8.920 16.346 ( -1.072 3.617 -13.999) 14.498 17.454 ( 2.369 3.633 7.964) 9.068 18.750 ( 7.326 -3.192 14.140) 16.242 18.824 ( -1.586 -10.424 6.180) 12.222 19.616 ( -14.467 -7.188 21.196) 26.650 21.022 ( 0.090 3.234 -9.381) 9.924 21.341 ( 0.243 0.566 -12.056) 12.071 ======================= Grid point 102 (53/115) ======================= q-point: ( 0.40 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 6.690 6.852 7.599) 12.225 1.239 ( 2.824 7.379 7.845) 11.135 1.715 ( -2.916 9.110 11.865) 15.241 1.776 ( -1.426 4.417 11.844) 12.721 2.059 ( 0.054 5.297 10.093) 11.399 2.318 ( -2.611 -6.821 -2.593) 7.750 2.382 ( -8.886 -2.157 14.425) 17.079 2.551 ( -1.457 0.035 1.922) 2.412 2.890 ( -4.080 2.080 -5.324) 7.023 2.982 ( 1.601 -3.076 -2.848) 4.487 3.095 ( 2.382 -8.283 1.410) 8.733 3.360 ( 2.550 -0.769 1.791) 3.209 3.494 ( -2.105 0.623 -4.252) 4.786 3.582 ( -1.105 -2.371 -5.911) 6.464 3.725 ( 6.370 5.347 4.022) 9.238 3.861 ( -4.533 8.268 -0.901) 9.472 3.996 ( -1.180 -4.412 -2.022) 4.995 4.110 ( -1.648 5.330 2.520) 6.122 4.301 ( 2.760 2.567 -0.929) 3.882 4.460 ( 2.105 3.946 6.568) 7.946 4.580 ( 2.948 7.413 3.205) 8.598 4.845 ( -3.521 -4.594 5.346) 7.879 5.324 ( 4.791 -5.142 10.553) 12.679 5.635 ( 1.778 3.300 5.312) 6.502 5.988 ( 1.975 0.687 -8.579) 8.830 6.062 ( -1.135 2.574 7.547) 8.054 6.424 ( 0.740 -3.910 -7.013) 8.063 6.707 ( -2.303 -3.669 8.502) 9.542 7.355 ( -0.835 -2.383 11.973) 12.236 7.723 ( 0.412 12.722 -13.511) 18.563 7.946 ( 3.221 -0.037 -13.121) 13.511 8.511 ( 0.153 -4.288 -5.688) 7.125 9.680 ( -15.789 -11.479 19.219) 27.394 10.949 ( -2.203 1.701 -10.378) 10.745 11.778 ( -0.572 -0.326 4.111) 4.163 11.943 ( -0.721 4.680 0.333) 4.747 12.450 ( -1.435 -1.982 6.816) 7.242 13.053 ( 2.041 -5.706 -0.943) 6.133 13.465 ( -0.245 -13.352 -2.893) 13.664 13.581 ( -0.501 4.327 -1.005) 4.471 15.479 ( 7.406 -11.376 -5.982) 14.834 16.362 ( 4.238 2.991 -14.033) 14.961 17.505 ( 1.080 4.187 5.728) 7.177 18.728 ( -4.015 -12.391 -4.937) 13.930 19.011 ( 8.331 6.548 25.156) 27.297 19.323 ( -11.814 -13.408 25.262) 30.943 20.981 ( -1.682 6.198 -10.595) 12.390 21.381 ( 3.836 -1.948 -9.920) 10.813 ======================= Grid point 103 (54/115) ======================= q-point: (-0.40 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.297 9.104 9.524) 13.178 1.264 ( -2.022 3.944 5.855) 7.343 1.713 ( 1.554 9.908 6.058) 11.717 1.862 ( 6.256 1.574 16.916) 18.104 2.019 ( -2.690 9.937 3.056) 10.739 2.153 ( -10.989 -3.135 15.779) 19.482 2.307 ( -1.273 -4.155 4.123) 5.990 2.520 ( -0.728 -1.014 -0.713) 1.437 2.808 ( -1.621 1.147 -5.901) 6.226 2.968 ( -3.001 -7.430 -1.971) 8.252 3.154 ( 2.638 -4.151 2.647) 5.586 3.327 ( -6.029 -0.047 0.733) 6.074 3.505 ( 2.567 0.478 -4.355) 5.078 3.604 ( 4.243 1.037 -4.707) 6.421 3.685 ( -5.134 5.088 -1.265) 7.338 3.837 ( -2.342 2.078 3.127) 4.425 3.999 ( 4.702 2.659 3.164) 6.260 4.133 ( 0.487 3.116 2.706) 4.155 4.357 ( 1.831 3.030 -0.736) 3.616 4.473 ( -1.102 3.161 4.054) 5.257 4.643 ( 1.689 7.137 3.000) 7.924 4.826 ( 1.035 -4.172 6.118) 7.477 5.406 ( 0.737 -4.734 8.737) 9.964 5.686 ( 2.245 2.486 5.481) 6.424 5.963 ( -2.586 3.509 -8.045) 9.150 6.028 ( -2.993 -0.185 4.527) 5.430 6.437 ( 1.098 -4.328 -5.450) 7.046 6.662 ( -2.447 -3.117 9.380) 10.182 7.363 ( -0.048 -2.591 11.171) 11.467 7.750 ( 3.558 14.193 -14.858) 20.854 7.973 ( 0.572 -0.532 -13.960) 13.982 8.511 ( 0.623 -4.579 -5.419) 7.122 9.454 ( -5.571 -7.734 26.195) 27.875 10.906 ( 0.036 2.030 -9.894) 10.100 11.764 ( -1.231 0.304 2.797) 3.070 11.922 ( -1.003 4.677 0.008) 4.783 12.449 ( 0.405 -2.364 6.896) 7.301 13.073 ( -0.365 -6.132 -1.393) 6.298 13.358 ( -6.022 -5.524 -2.175) 8.456 13.673 ( 6.075 0.342 -1.287) 6.219 15.555 ( -0.036 -12.789 -5.956) 14.108 16.461 ( 6.014 3.982 -17.541) 18.966 17.496 ( -2.956 3.492 6.133) 7.652 18.617 ( -6.273 -6.159 11.957) 14.841 18.990 ( -6.018 -3.701 7.140) 10.044 19.437 ( 12.413 -11.630 28.416) 33.118 20.944 ( -0.233 5.287 -10.005) 11.318 21.442 ( 2.784 -1.218 -10.488) 10.920 ======================= Grid point 104 (55/115) ======================= q-point: (-0.20 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.812 8.350 13.822) 16.169 1.181 ( -4.433 8.319 5.077) 10.707 1.711 ( -3.718 12.231 5.446) 13.895 1.934 ( 0.500 1.381 4.159) 4.411 2.037 ( -0.545 -1.432 21.027) 21.082 2.121 ( 8.586 1.661 14.024) 16.527 2.287 ( -0.464 -1.917 9.119) 9.330 2.536 ( 1.354 -1.904 3.747) 4.416 2.812 ( 2.486 -3.777 -6.933) 8.277 2.891 ( -2.463 -5.920 1.061) 6.499 3.113 ( -9.052 -2.512 0.845) 9.432 3.227 ( 0.489 -0.522 -0.919) 1.164 3.538 ( 0.976 2.382 -1.969) 3.241 3.599 ( -2.086 5.369 0.023) 5.761 3.723 ( 3.104 2.346 -2.797) 4.792 3.817 ( 2.475 -2.395 0.960) 3.575 4.085 ( -3.114 3.581 -0.502) 4.772 4.129 ( 3.993 5.172 5.092) 8.284 4.360 ( -1.705 2.632 -0.021) 3.137 4.443 ( -1.557 2.579 1.277) 3.271 4.659 ( -0.674 8.132 1.849) 8.367 4.866 ( 1.199 -2.973 6.549) 7.292 5.373 ( -4.568 -3.891 8.847) 10.690 5.707 ( -2.194 -1.073 -0.694) 2.539 5.897 ( -1.389 2.808 -8.161) 8.742 5.971 ( -2.064 6.082 10.237) 12.085 6.448 ( 0.561 -6.013 -5.613) 8.245 6.650 ( 0.331 -3.072 8.086) 8.656 7.377 ( -0.319 -2.502 11.352) 11.629 7.803 ( 2.838 13.298 -15.159) 20.364 7.931 ( -2.158 -1.574 -13.173) 13.441 8.519 ( 0.665 -4.754 -5.112) 7.013 9.582 ( 13.090 -11.297 28.389) 33.240 10.933 ( 3.563 1.482 -8.578) 9.406 11.738 ( -1.145 -0.095 1.743) 2.088 11.911 ( 0.144 4.447 0.058) 4.450 12.479 ( 1.212 -2.274 7.183) 7.631 13.026 ( -3.532 -4.396 -3.116) 6.443 13.241 ( -4.169 -6.678 0.221) 7.876 13.791 ( 4.515 6.649 -5.037) 9.485 15.471 ( -6.557 -11.118 -2.059) 13.071 16.516 ( 0.604 6.016 -20.632) 21.500 17.420 ( -3.889 1.956 10.624) 11.482 18.541 ( -2.366 -2.022 24.139) 24.339 18.916 ( -1.844 -12.468 -2.794) 12.910 19.712 ( 8.073 -10.051 22.774) 26.169 20.948 ( 1.844 2.773 -8.934) 9.535 21.458 ( 0.016 0.559 -12.583) 12.596 ======================= Grid point 105 (56/115) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -1.260 7.262 6.973) 10.146 1.317 ( 0.424 8.352 3.004) 8.886 1.879 ( 2.913 0.580 2.120) 3.649 1.995 ( -2.825 7.007 4.683) 8.889 2.071 ( 2.070 -2.695 23.239) 23.486 2.193 ( -1.645 4.250 9.770) 10.781 2.403 ( 4.144 0.070 7.620) 8.674 2.529 ( -1.285 -2.542 6.561) 7.153 2.710 ( 2.879 -4.920 7.143) 9.139 2.800 ( 4.454 -6.262 -4.197) 8.756 2.977 ( -2.656 0.824 1.512) 3.165 3.237 ( 0.683 -0.191 -1.436) 1.602 3.547 ( 0.140 -0.949 -3.952) 4.067 3.685 ( -3.108 3.247 0.210) 4.500 3.773 ( 0.145 -0.186 -1.704) 1.720 3.781 ( -0.840 0.684 -3.774) 3.927 4.168 ( 1.678 5.850 -3.191) 6.872 4.216 ( -3.750 0.448 -4.597) 5.950 4.352 ( 2.415 1.800 8.200) 8.736 4.541 ( -3.221 5.624 2.936) 7.115 4.799 ( -1.560 8.897 -1.688) 9.189 4.861 ( 0.922 -1.992 6.398) 6.764 5.161 ( -5.226 -4.995 13.771) 15.553 5.624 ( 0.456 -1.362 -4.278) 4.513 5.852 ( -1.156 1.096 -5.992) 6.200 6.192 ( -0.667 1.679 8.929) 9.110 6.319 ( 1.540 -0.367 0.965) 1.855 6.620 ( 0.952 -2.495 5.656) 6.255 7.322 ( -0.976 -3.101 13.334) 13.724 7.817 ( -0.293 -2.421 -12.415) 12.652 8.054 ( -0.260 9.323 -13.985) 16.809 8.419 ( 0.675 -4.827 -5.666) 7.474 9.599 ( 5.637 -11.642 21.546) 25.130 10.993 ( 2.415 -0.791 -7.743) 8.149 11.704 ( -0.082 -1.892 2.840) 3.413 12.033 ( 1.056 5.537 -0.175) 5.639 12.472 ( 0.176 -1.078 8.783) 8.851 12.904 ( -0.814 -3.563 0.451) 3.683 13.064 ( -0.395 -4.402 -0.645) 4.466 13.990 ( -0.860 6.104 -10.528) 12.199 15.195 ( -3.396 -4.808 6.092) 8.471 16.526 ( -5.703 3.154 -18.618) 19.726 17.437 ( 1.997 1.225 9.567) 9.850 18.527 ( 2.753 -5.918 7.578) 10.001 18.627 ( -1.265 -7.946 15.048) 17.064 19.668 ( -2.683 -3.544 18.991) 19.504 21.007 ( 2.762 0.525 -9.608) 10.011 21.421 ( -1.962 -0.035 -14.603) 14.734 ======================= Grid point 106 (57/115) ======================= q-point: ( 0.20 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -2.411 11.597 7.807) 14.186 1.371 ( 3.582 11.869 1.579) 12.498 1.870 ( -8.215 -0.918 17.681) 19.518 1.939 ( 1.841 7.270 -0.180) 7.501 2.121 ( -1.788 -0.713 7.295) 7.545 2.197 ( 2.245 -0.303 6.634) 7.010 2.433 ( -1.833 -3.944 8.015) 9.119 2.551 ( 1.684 0.931 11.064) 11.231 2.839 ( 4.706 -6.135 5.936) 9.748 2.892 ( 3.762 -3.375 -3.736) 6.285 2.955 ( 0.212 0.191 -0.774) 0.825 3.254 ( 2.270 -1.207 -1.225) 2.848 3.536 ( -0.550 -1.724 -4.354) 4.715 3.627 ( -4.294 -2.117 -6.724) 8.255 3.706 ( 1.145 5.771 3.182) 6.689 3.881 ( 5.688 -0.615 -3.819) 6.878 4.071 ( -3.526 3.041 -2.545) 5.306 4.271 ( 3.346 1.485 -1.366) 3.907 4.370 ( -9.592 5.729 2.720) 11.499 4.439 ( 2.591 2.346 6.695) 7.553 4.789 ( 0.291 12.198 -0.773) 12.226 4.830 ( -4.244 -5.076 4.624) 8.072 5.144 ( 1.667 -2.916 15.729) 16.083 5.638 ( 0.962 0.056 -1.209) 1.546 5.876 ( 3.834 -0.149 -2.360) 4.505 6.166 ( -2.172 -2.219 1.595) 3.490 6.360 ( 1.362 2.409 3.269) 4.283 6.643 ( 0.215 -3.139 5.575) 6.401 7.311 ( -1.619 -2.859 13.406) 13.803 7.834 ( 3.418 -0.940 -13.851) 14.297 8.024 ( -0.546 9.153 -12.583) 15.569 8.424 ( 0.420 -4.390 -6.292) 7.684 9.633 ( -5.298 -12.363 19.347) 23.563 11.007 ( -0.211 -0.396 -8.978) 8.989 11.725 ( 1.194 -2.559 4.184) 5.048 12.056 ( 0.792 5.661 0.103) 5.717 12.459 ( -2.324 -0.679 8.083) 8.438 12.908 ( 1.008 -4.320 1.066) 4.563 13.110 ( 4.338 -7.295 -0.329) 8.494 13.861 ( -8.553 5.315 -9.263) 13.682 15.193 ( 2.471 -5.215 4.847) 7.536 16.406 ( -1.887 2.240 -15.535) 15.809 17.515 ( 3.247 2.258 7.424) 8.412 18.543 ( -1.394 -10.658 -7.589) 13.158 18.714 ( 6.624 -4.429 29.291) 30.355 19.528 ( -12.346 -2.057 20.003) 23.596 21.072 ( 3.874 1.575 -9.970) 10.811 21.344 ( -2.435 -0.099 -13.947) 14.158 ======================= Grid point 107 (58/115) ======================= q-point: ( 0.40 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 4.486 11.372 8.289) 14.771 1.387 ( -4.201 6.654 4.344) 8.988 1.792 ( 0.752 1.761 16.863) 16.972 1.940 ( -1.248 8.054 2.514) 8.529 2.151 ( 3.085 0.222 5.446) 6.263 2.218 ( -0.475 0.262 -2.697) 2.751 2.343 ( -8.539 -1.529 14.149) 16.596 2.544 ( -2.739 -1.309 0.699) 3.115 2.872 ( -0.819 -6.849 3.211) 7.609 2.922 ( -1.033 1.469 -4.930) 5.247 3.002 ( 3.869 -0.365 0.330) 3.900 3.336 ( 3.552 -1.768 0.948) 4.079 3.503 ( -2.480 -0.060 -6.994) 7.421 3.540 ( 0.630 -1.638 -5.880) 6.136 3.815 ( 4.501 0.844 2.099) 5.037 3.925 ( -1.045 2.274 0.277) 2.518 4.032 ( -3.455 5.413 1.603) 6.619 4.185 ( -0.643 2.400 -0.047) 2.486 4.355 ( 2.625 3.152 4.263) 5.916 4.523 ( 3.052 2.270 3.124) 4.922 4.719 ( -3.879 -4.196 3.523) 6.713 4.815 ( 0.606 10.038 1.905) 10.235 5.228 ( 3.412 -3.997 12.998) 14.020 5.653 ( 0.244 -1.966 1.009) 2.223 5.969 ( 3.836 -0.110 -4.453) 5.879 6.122 ( -1.738 -0.148 4.330) 4.668 6.374 ( -0.441 0.759 1.627) 1.848 6.638 ( -1.507 -2.831 6.811) 7.528 7.297 ( -1.171 -2.939 12.347) 12.746 7.913 ( 5.514 1.904 -16.559) 17.557 8.002 ( 0.009 8.369 -11.934) 14.576 8.418 ( -0.088 -4.495 -6.781) 8.136 9.471 ( -10.712 -8.349 21.037) 25.040 10.969 ( -1.605 0.388 -10.046) 10.181 11.751 ( 0.418 -2.123 4.731) 5.202 12.059 ( -0.558 5.962 0.133) 5.989 12.417 ( -2.037 -0.964 7.548) 7.878 12.939 ( 1.236 -4.951 2.449) 5.660 13.206 ( 3.479 -9.582 -3.011) 10.629 13.690 ( -4.114 4.144 -4.152) 7.165 15.282 ( 4.190 -7.544 3.021) 9.143 16.418 ( 4.684 2.403 -15.194) 16.080 17.572 ( 0.755 2.402 5.773) 6.298 18.489 ( -2.156 -9.993 -6.201) 11.957 18.931 ( 6.962 -10.082 29.513) 31.955 19.258 ( -12.164 3.351 20.831) 24.354 21.094 ( -0.979 4.493 -10.930) 11.858 21.330 ( 3.220 -2.660 -12.461) 13.142 ======================= Grid point 108 (59/115) ======================= q-point: (-0.40 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -3.584 6.869 8.968) 11.852 1.315 ( 1.075 1.059 4.835) 5.065 1.860 ( 0.910 2.801 10.188) 10.605 1.953 ( 2.676 9.045 1.789) 9.601 2.118 ( -8.799 0.016 11.750) 14.679 2.198 ( -1.090 6.437 4.062) 7.689 2.234 ( 0.985 -2.814 6.280) 6.952 2.492 ( -1.300 -2.603 -0.768) 3.010 2.819 ( -4.899 -1.469 -2.055) 5.512 2.853 ( -3.096 -1.332 -1.541) 3.707 3.091 ( 3.503 -1.779 1.360) 4.157 3.322 ( -5.798 -0.228 1.658) 6.034 3.509 ( 2.481 -0.143 -5.155) 5.722 3.600 ( 6.182 -0.256 -5.313) 8.155 3.744 ( -3.394 -1.404 -2.678) 4.545 3.933 ( -4.324 8.614 5.686) 11.191 4.059 ( 6.414 2.078 4.407) 8.055 4.204 ( -0.155 3.526 1.719) 3.926 4.435 ( 3.960 3.645 4.402) 6.953 4.503 ( -3.993 0.546 -2.287) 4.634 4.732 ( 3.163 -4.620 6.420) 8.519 4.831 ( 0.782 9.886 0.951) 9.963 5.296 ( 0.638 -5.676 11.046) 12.435 5.649 ( -0.542 -5.026 -0.729) 5.107 5.982 ( -1.217 -0.481 -12.369) 12.438 6.126 ( 0.589 6.388 14.763) 16.097 6.351 ( -1.629 -2.643 -0.142) 3.109 6.609 ( -1.754 -2.009 7.612) 8.065 7.300 ( -0.203 -3.229 11.680) 12.120 7.957 ( -1.466 0.104 -13.507) 13.587 8.019 ( 4.446 9.998 -17.139) 20.335 8.408 ( 0.275 -5.028 -6.466) 8.195 9.324 ( -4.051 -4.714 24.895) 25.659 10.932 ( -0.099 0.617 -9.567) 9.588 11.750 ( -1.102 -1.513 3.735) 4.178 12.038 ( -1.132 5.963 -0.002) 6.070 12.407 ( 0.139 -1.483 7.894) 8.033 12.953 ( -0.370 -5.108 2.516) 5.706 13.201 ( -2.958 -7.260 -4.401) 8.990 13.736 ( 7.772 3.544 -2.549) 8.914 15.337 ( -0.056 -8.195 3.013) 8.731 16.533 ( 7.143 3.038 -17.167) 18.840 17.546 ( -4.015 1.632 5.438) 6.954 18.453 ( -0.393 -8.406 -1.726) 8.590 18.849 ( -12.374 -8.487 25.836) 29.877 19.339 ( 11.380 0.120 22.060) 24.822 21.036 ( -2.142 3.446 -10.609) 11.359 21.402 ( 4.169 -2.205 -12.747) 13.592 ======================= Grid point 109 (60/115) ======================= q-point: (-0.20 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -0.935 4.126 8.884) 9.840 1.331 ( -1.099 4.025 2.726) 4.984 1.848 ( -1.556 -0.974 6.329) 6.590 1.985 ( 0.492 7.793 4.470) 8.998 2.057 ( -0.558 0.528 16.798) 16.816 2.197 ( -0.252 5.911 7.837) 9.820 2.287 ( 3.905 1.418 8.211) 9.202 2.504 ( 1.880 -1.620 2.900) 3.816 2.724 ( -2.626 -3.511 -0.753) 4.449 2.788 ( -2.773 -4.416 -1.253) 5.363 3.081 ( -6.026 -0.631 2.406) 6.519 3.221 ( -0.193 -0.069 -0.086) 0.222 3.541 ( 1.064 -0.459 -4.086) 4.247 3.711 ( 1.599 1.158 -3.757) 4.244 3.750 ( 3.155 -2.382 -2.950) 4.933 3.831 ( -4.078 9.055 3.971) 10.695 4.167 ( -2.293 3.251 -0.899) 4.079 4.194 ( 5.070 1.389 5.267) 7.442 4.397 ( -4.848 1.537 -3.285) 6.054 4.525 ( 2.982 4.634 4.280) 6.977 4.799 ( 1.874 -1.785 6.383) 6.888 4.844 ( -0.039 7.439 0.525) 7.457 5.266 ( -4.754 -6.163 11.341) 13.756 5.633 ( -0.520 -4.616 -3.991) 6.124 5.916 ( -2.871 0.915 -11.252) 11.649 6.167 ( 0.915 8.273 16.485) 18.467 6.316 ( -1.078 -4.981 -1.718) 5.378 6.599 ( -0.031 -1.783 6.777) 7.008 7.315 ( -0.164 -3.319 12.326) 12.766 7.877 ( -3.242 -1.507 -12.499) 13.000 8.064 ( 1.651 9.394 -16.430) 18.998 8.412 ( 0.749 -5.137 -5.800) 7.784 9.402 ( 7.092 -6.286 25.088) 26.818 10.946 ( 2.412 0.020 -8.117) 8.468 11.722 ( -1.612 -1.402 2.593) 3.359 12.022 ( -0.144 5.785 -0.275) 5.793 12.438 ( 1.371 -1.454 8.537) 8.768 12.933 ( -1.576 -4.378 1.393) 4.857 13.117 ( -3.707 -4.656 -2.496) 6.454 13.918 ( 7.886 5.073 -6.718) 11.534 15.286 ( -4.621 -6.705 4.579) 9.342 16.615 ( 1.462 3.725 -20.294) 20.685 17.447 ( -4.426 0.786 8.891) 9.963 18.469 ( 1.400 -5.630 6.674) 8.843 18.678 ( -5.979 -8.565 17.553) 20.426 19.586 ( 7.343 -3.062 20.288) 21.792 20.993 ( -0.217 1.614 -9.926) 10.059 21.448 ( 1.488 -1.163 -13.932) 14.060 ======================= Grid point 110 (61/115) ======================= q-point: ( 0.00 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.304 5.319 5.634) 7.754 1.410 ( 8.104 0.529 1.322) 8.228 1.837 ( 1.273 -1.219 2.734) 3.253 2.022 ( -0.750 -1.096 24.848) 24.884 2.146 ( -0.573 3.798 -0.967) 3.961 2.297 ( -2.315 4.840 6.137) 8.152 2.384 ( -3.345 -2.093 4.490) 5.977 2.502 ( 1.299 -0.210 9.720) 9.808 2.641 ( 4.413 -1.789 8.336) 9.600 2.693 ( 4.079 -3.238 -2.726) 5.878 2.988 ( -3.141 0.254 2.082) 3.777 3.231 ( 0.486 -0.322 -1.709) 1.805 3.536 ( -0.465 -0.158 -4.020) 4.050 3.686 ( -3.917 -0.531 -2.511) 4.683 3.758 ( 3.936 -0.746 -6.991) 8.057 3.846 ( -5.886 2.293 0.519) 6.339 4.203 ( -0.679 -0.093 -6.349) 6.386 4.297 ( 0.787 4.837 3.749) 6.170 4.377 ( 0.853 -0.093 2.493) 2.636 4.626 ( -3.583 2.813 5.252) 6.952 4.771 ( -0.057 -3.881 4.832) 6.198 4.974 ( -0.161 4.916 -1.045) 5.028 5.084 ( -2.511 -2.123 15.532) 15.876 5.589 ( 2.263 -1.394 -7.039) 7.524 5.917 ( -0.884 4.930 -7.039) 8.639 6.067 ( -2.601 -7.633 1.439) 8.192 6.429 ( 1.153 4.517 14.600) 15.326 6.588 ( 0.322 -0.754 5.298) 5.361 7.262 ( -0.607 -2.060 11.641) 11.837 7.782 ( -0.157 -0.923 -13.109) 13.143 8.188 ( -0.350 3.523 -7.225) 8.046 8.342 ( 1.143 -2.282 -10.151) 10.468 9.440 ( 2.931 -3.825 19.891) 20.466 10.980 ( 2.199 -0.415 -7.249) 7.586 11.671 ( -0.678 -0.989 4.050) 4.224 12.127 ( 1.057 2.778 -1.873) 3.514 12.461 ( 0.533 -0.148 9.609) 9.625 12.838 ( -1.147 -2.089 4.804) 5.363 13.016 ( -0.944 -0.865 -3.464) 3.693 14.071 ( -0.859 1.891 -11.576) 11.761 15.129 ( -2.898 -1.594 7.952) 8.613 16.568 ( -6.517 1.023 -18.584) 19.720 17.454 ( 2.772 0.399 8.815) 9.250 18.387 ( 1.703 -4.511 -6.453) 8.056 18.558 ( -0.509 -1.037 29.813) 29.835 19.626 ( -2.525 -0.880 18.873) 19.061 21.014 ( 2.611 0.171 -10.673) 10.989 21.416 ( -1.196 -0.270 -14.931) 14.981 ======================= Grid point 111 (62/115) ======================= q-point: ( 0.20 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.280 5.709 7.375) 9.331 1.592 ( 7.021 8.003 -3.080) 11.083 1.847 ( -9.437 -0.290 17.582) 19.957 1.923 ( -0.172 -5.991 3.615) 6.999 2.136 ( -0.178 2.673 -3.252) 4.213 2.279 ( 0.232 4.413 10.105) 11.029 2.364 ( -0.262 -3.058 9.476) 9.961 2.565 ( 1.203 0.314 10.729) 10.801 2.742 ( 1.606 -2.906 5.105) 6.090 2.842 ( 8.532 -1.199 -1.832) 8.809 2.961 ( 0.541 0.215 0.230) 0.626 3.226 ( 0.812 -0.992 -2.954) 3.220 3.505 ( -1.271 -0.911 -4.355) 4.627 3.601 ( -3.363 -0.533 -6.599) 7.426 3.764 ( 0.524 0.367 -3.618) 3.674 3.908 ( 8.137 2.213 1.100) 8.504 4.089 ( -4.954 -0.407 -3.342) 5.990 4.339 ( 0.428 4.659 1.286) 4.852 4.432 ( -0.778 -2.080 -0.613) 2.303 4.480 ( -5.218 3.127 10.789) 12.385 4.729 ( -4.379 -3.798 4.242) 7.183 4.985 ( 1.215 5.665 -2.918) 6.488 5.108 ( 1.902 -0.830 16.605) 16.734 5.621 ( 0.843 -0.873 -4.436) 4.599 5.918 ( 2.174 3.999 -2.171) 5.043 6.037 ( -0.281 -7.135 -0.944) 7.203 6.456 ( -0.526 3.648 11.453) 12.031 6.599 ( -0.049 -1.105 5.092) 5.211 7.258 ( -1.243 -1.778 11.842) 12.039 7.815 ( 4.750 -0.590 -14.420) 15.193 8.167 ( -0.520 4.110 -6.932) 8.075 8.350 ( 0.741 -2.402 -10.575) 10.870 9.459 ( -3.984 -4.359 19.695) 20.562 10.998 ( 0.287 -0.301 -8.470) 8.480 11.681 ( 0.882 -1.273 5.235) 5.459 12.150 ( 1.081 2.777 -1.421) 3.301 12.454 ( -2.234 0.043 8.245) 8.543 12.839 ( 0.534 -1.962 5.833) 6.177 13.019 ( 1.869 -2.000 -3.434) 4.391 13.930 ( -9.364 1.584 -10.269) 13.987 15.118 ( 0.948 -1.894 7.698) 7.984 16.438 ( -1.893 0.832 -16.113) 16.245 17.546 ( 3.762 0.790 7.466) 8.398 18.384 ( -1.025 -4.210 -6.475) 7.791 18.642 ( 4.244 -2.014 28.312) 28.700 19.506 ( -10.406 -0.410 19.931) 22.488 21.090 ( 5.426 0.316 -10.864) 12.147 21.342 ( -3.277 -0.037 -14.552) 14.916 ======================= Grid point 112 (63/115) ======================= q-point: ( 0.40 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.980 5.524 7.589) 9.438 1.479 ( -12.539 1.785 7.516) 14.727 1.866 ( 6.053 5.740 8.389) 11.831 1.989 ( 4.880 -4.420 3.607) 7.507 2.141 ( 1.218 2.112 -5.087) 5.641 2.276 ( -2.949 1.206 13.434) 13.807 2.336 ( -3.677 1.747 7.192) 8.264 2.484 ( -7.440 -3.736 -4.502) 9.464 2.780 ( 1.827 -1.991 8.742) 9.150 2.958 ( 1.250 1.757 -3.797) 4.366 3.005 ( 3.020 -0.039 -0.844) 3.136 3.295 ( 4.435 -1.552 0.194) 4.703 3.491 ( -0.569 -0.698 -6.855) 6.914 3.525 ( 0.128 -0.020 -7.522) 7.523 3.786 ( -0.576 -1.352 -2.967) 3.311 4.027 ( 3.031 5.108 4.925) 7.716 4.091 ( -1.056 -0.130 3.024) 3.206 4.218 ( -0.227 0.825 0.480) 0.981 4.436 ( 0.970 4.471 10.367) 11.332 4.536 ( 4.458 -1.704 2.699) 5.484 4.617 ( -5.847 -3.402 1.739) 6.984 5.003 ( 0.678 5.761 -3.877) 6.977 5.170 ( 1.396 -1.529 13.932) 14.085 5.598 ( -2.314 -2.037 -1.252) 3.327 5.962 ( 1.331 -1.035 -12.448) 12.562 6.086 ( 4.541 -1.162 11.461) 12.383 6.433 ( -2.903 2.741 8.459) 9.354 6.596 ( -0.920 -1.094 5.810) 5.983 7.247 ( -1.165 -1.585 10.897) 11.073 7.916 ( 5.665 -0.210 -16.429) 17.379 8.155 ( 0.480 4.774 -7.448) 8.860 8.338 ( -0.307 -2.805 -11.389) 11.734 9.352 ( -7.509 -3.003 21.659) 23.120 10.971 ( -1.233 -0.033 -9.794) 9.871 11.711 ( 0.804 -1.249 5.974) 6.156 12.157 ( -0.404 2.829 -1.026) 3.036 12.409 ( -2.504 -0.062 7.826) 8.217 12.865 ( 0.755 -1.935 6.280) 6.615 13.077 ( 3.189 -3.131 -4.790) 6.551 13.744 ( -4.477 1.201 -5.414) 7.127 15.176 ( 2.729 -2.655 7.427) 8.346 16.456 ( 5.176 1.076 -15.837) 16.696 17.606 ( 0.458 0.902 6.454) 6.533 18.340 ( -1.732 -3.972 -6.285) 7.635 18.776 ( 2.153 -4.043 28.630) 28.994 19.310 ( -7.590 1.272 21.089) 22.449 21.158 ( -0.226 1.602 -11.210) 11.326 21.287 ( 2.403 -1.207 -13.963) 14.219 ======================= Grid point 113 (64/115) ======================= q-point: (-0.40 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -7.924 0.428 7.889) 11.189 1.333 ( -0.060 0.979 5.591) 5.676 1.916 ( -1.276 2.318 4.228) 4.987 2.115 ( -9.987 -0.564 13.639) 16.914 2.130 ( 3.474 6.528 -0.997) 7.462 2.187 ( 5.243 -1.230 3.048) 6.188 2.304 ( -0.028 3.969 3.480) 5.279 2.403 ( -0.405 -5.537 2.370) 6.036 2.791 ( -2.080 -0.388 3.765) 4.319 2.865 ( -7.666 0.689 -5.635) 9.539 3.076 ( 2.954 -0.052 0.540) 3.004 3.319 ( -4.069 -0.127 1.661) 4.396 3.503 ( 2.412 -0.301 -5.822) 6.309 3.600 ( 6.505 0.146 -4.874) 8.130 3.703 ( -2.727 -1.440 -3.848) 4.931 4.078 ( 2.619 1.211 5.298) 6.033 4.119 ( 0.726 6.864 5.896) 9.078 4.231 ( -1.862 -1.598 4.673) 5.278 4.484 ( -1.198 0.753 0.523) 1.509 4.527 ( 1.674 1.816 4.209) 4.880 4.648 ( 4.666 -2.936 3.808) 6.701 5.003 ( -0.103 5.476 -3.524) 6.512 5.196 ( -1.013 -3.216 12.152) 12.611 5.549 ( -1.268 -3.387 -1.948) 4.108 5.956 ( 0.353 -1.359 -13.685) 13.757 6.188 ( 1.594 0.361 11.912) 12.024 6.372 ( -2.957 2.724 9.596) 10.404 6.581 ( -1.116 -0.713 6.366) 6.502 7.244 ( -0.431 -1.751 10.142) 10.301 7.951 ( -1.186 -0.184 -15.897) 15.942 8.172 ( 1.998 4.183 -8.660) 9.823 8.323 ( 0.824 -2.751 -11.962) 12.302 9.261 ( -2.669 -1.484 23.586) 23.783 10.937 ( -0.245 0.038 -9.369) 9.372 11.720 ( -0.856 -0.972 5.153) 5.313 12.136 ( -1.090 2.853 -1.164) 3.268 12.389 ( -0.220 -0.380 8.806) 8.817 12.878 ( -0.444 -1.953 5.675) 6.018 13.096 ( -0.776 -2.673 -5.429) 6.101 13.786 ( 8.296 1.245 -4.015) 9.300 15.223 ( 0.129 -2.806 7.469) 7.979 16.581 ( 7.559 1.333 -17.145) 18.785 17.570 ( -4.719 0.644 5.880) 7.567 18.314 ( 0.465 -4.069 -6.109) 7.355 18.721 ( -9.311 -3.287 30.870) 32.411 19.356 ( 7.540 0.704 20.549) 21.900 21.082 ( -3.379 1.059 -11.306) 11.847 21.368 ( 4.909 -0.937 -13.918) 14.788 ======================= Grid point 114 (65/115) ======================= q-point: (-0.20 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 2.478 2.694 5.167) 6.332 1.335 ( -0.084 -1.870 4.616) 4.981 1.860 ( -3.301 1.465 2.911) 4.638 2.002 ( -2.685 -1.407 19.387) 19.623 2.151 ( 0.236 3.743 -1.168) 3.928 2.309 ( 1.858 3.004 5.510) 6.545 2.317 ( 3.120 1.974 6.741) 7.686 2.462 ( 4.451 -2.125 5.193) 7.162 2.688 ( -6.374 -0.085 1.309) 6.508 2.715 ( -5.704 -2.437 -1.594) 6.404 3.078 ( -4.131 0.085 2.281) 4.719 3.221 ( -1.260 0.059 0.485) 1.352 3.535 ( 1.063 -0.095 -4.316) 4.446 3.703 ( 2.097 -1.017 -6.064) 6.497 3.718 ( 2.611 -0.383 -2.055) 3.345 4.007 ( -7.727 5.758 4.031) 10.446 4.195 ( -0.162 0.133 -1.717) 1.729 4.206 ( 4.751 -0.086 6.725) 8.234 4.432 ( -2.456 1.289 -4.262) 5.085 4.611 ( 2.940 3.531 7.263) 8.594 4.734 ( 2.650 -3.287 4.721) 6.333 4.990 ( -0.783 4.732 -1.322) 4.975 5.151 ( -4.449 -3.916 12.848) 14.149 5.553 ( 1.784 -2.509 -5.381) 6.200 5.943 ( 0.068 1.313 -13.498) 13.562 6.149 ( -4.947 -3.740 6.453) 8.950 6.378 ( 1.197 4.700 15.408) 16.154 6.576 ( -0.109 -0.547 5.989) 6.015 7.254 ( -0.166 -2.055 10.626) 10.824 7.855 ( -4.285 -0.571 -13.664) 14.331 8.194 ( 0.925 3.080 -8.071) 8.689 8.332 ( 1.237 -2.093 -11.343) 11.600 9.318 ( 4.227 -1.965 22.070) 22.557 10.943 ( 1.791 -0.177 -7.837) 8.041 11.695 ( -1.751 -0.853 3.998) 4.447 12.119 ( -0.176 2.846 -1.676) 3.307 12.420 ( 1.523 -0.412 9.828) 9.953 12.863 ( -1.495 -1.959 4.814) 5.408 13.055 ( -1.929 -1.427 -4.228) 4.862 13.989 ( 8.971 1.704 -8.079) 12.193 15.195 ( -3.416 -2.210 7.734) 8.739 16.669 ( 1.431 1.395 -19.876) 19.977 17.458 ( -4.716 0.289 8.344) 9.589 18.343 ( 2.644 -4.358 -6.055) 7.915 18.586 ( -6.131 -1.572 31.154) 31.790 19.554 ( 6.245 -0.554 19.432) 20.419 21.014 ( -1.143 0.475 -10.841) 10.912 21.426 ( 2.185 -0.651 -14.652) 14.828 ======================= Grid point 135 (66/115) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.083 0.000 17.381) 17.382 1.106 ( 0.877 0.000 20.166) 20.185 1.778 ( -3.805 0.000 0.322) 3.818 1.893 ( -3.617 0.000 11.406) 11.966 2.450 ( -0.314 0.000 0.309) 0.441 2.511 ( 10.721 0.000 0.774) 10.748 2.650 ( -3.586 0.000 9.749) 10.388 2.788 ( 0.923 0.000 5.440) 5.517 2.791 ( 6.206 0.000 0.565) 6.232 3.028 ( -0.782 0.000 -2.344) 2.471 3.036 ( -0.437 0.000 -5.539) 5.556 3.308 ( 7.483 0.000 1.533) 7.639 3.508 ( 0.164 0.000 -3.334) 3.338 3.538 ( 0.452 0.000 -0.455) 0.641 3.546 ( 1.267 0.000 0.295) 1.301 3.780 ( -6.006 0.000 -0.440) 6.022 3.985 ( -4.317 0.000 4.093) 5.949 4.272 ( -2.063 0.000 6.455) 6.777 4.344 ( 2.595 0.000 19.863) 20.032 4.426 ( -1.385 0.000 -2.451) 2.816 4.449 ( -2.761 0.000 5.431) 6.092 5.193 ( -0.945 0.000 7.077) 7.140 5.464 ( -0.886 0.000 -7.864) 7.914 5.535 ( -0.800 0.000 -15.101) 15.122 5.635 ( 0.213 0.000 18.311) 18.312 5.926 ( 1.636 0.000 5.101) 5.357 6.410 ( -1.186 0.000 -8.507) 8.589 6.999 ( 2.647 0.000 -20.812) 20.980 7.021 ( 0.061 0.000 13.991) 13.991 7.776 ( -0.300 0.000 -8.927) 8.932 7.816 ( -0.772 0.000 15.436) 15.456 8.476 ( 0.230 0.000 -8.784) 8.787 10.567 ( 2.453 0.000 -4.384) 5.024 10.707 ( 2.894 0.000 -8.777) 9.242 11.862 ( 0.845 0.000 3.292) 3.398 12.010 ( 5.509 0.000 2.147) 5.913 12.644 ( -0.772 0.000 5.668) 5.720 12.960 ( 4.579 0.000 -4.809) 6.641 13.332 ( -3.892 0.000 1.773) 4.277 13.522 ( 4.710 0.000 -6.617) 8.122 15.551 ( -5.167 0.000 2.040) 5.555 16.019 ( 0.757 0.000 -9.094) 9.125 17.648 ( -1.426 0.000 16.793) 16.854 18.708 ( -0.580 0.000 -14.154) 14.166 19.413 ( 1.148 0.000 28.122) 28.145 20.447 ( -6.933 0.000 8.745) 11.160 20.749 ( 0.690 0.000 -13.195) 13.214 21.056 ( 0.563 0.000 -10.137) 10.152 ======================= Grid point 136 (67/115) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 1.364 0.000 16.412) 16.469 1.203 ( 4.772 0.000 19.156) 19.741 1.665 ( -5.674 0.000 0.092) 5.675 1.851 ( -2.892 0.000 9.973) 10.384 2.420 ( -1.586 0.000 -2.382) 2.862 2.514 ( -7.297 0.000 15.887) 17.482 2.671 ( 1.358 0.000 -1.033) 1.706 2.744 ( -5.189 0.000 1.975) 5.552 2.891 ( -3.118 0.000 -0.315) 3.133 3.000 ( 3.200 0.000 -4.605) 5.608 3.026 ( 2.526 0.000 -5.535) 6.084 3.401 ( -0.988 0.000 -4.970) 5.067 3.499 ( -0.102 0.000 -1.534) 1.537 3.563 ( -1.615 0.000 -1.066) 1.936 3.608 ( 5.370 0.000 3.517) 6.419 3.697 ( -2.090 0.000 2.481) 3.244 3.958 ( 2.926 0.000 2.049) 3.572 4.178 ( -5.671 0.000 8.609) 10.309 4.315 ( -2.720 0.000 9.340) 9.728 4.443 ( 2.190 0.000 -2.299) 3.175 4.523 ( 3.910 0.000 13.460) 14.016 5.134 ( -4.326 0.000 5.218) 6.778 5.477 ( 2.604 0.000 -4.527) 5.223 5.553 ( 3.660 0.000 -12.295) 12.829 5.714 ( 3.727 0.000 18.613) 18.982 5.999 ( 3.886 0.000 2.755) 4.764 6.354 ( -2.259 0.000 -8.857) 9.141 7.016 ( 1.397 0.000 -20.395) 20.443 7.047 ( 0.431 0.000 12.657) 12.664 7.755 ( -0.277 0.000 -7.976) 7.981 7.800 ( -2.519 0.000 15.345) 15.550 8.459 ( -0.427 0.000 -9.585) 9.594 10.446 ( -10.889 0.000 -3.722) 11.508 10.711 ( -1.353 0.000 -9.851) 9.944 11.884 ( 0.508 0.000 2.952) 2.995 11.999 ( -4.721 0.000 2.568) 5.374 12.624 ( -1.574 0.000 5.850) 6.058 13.086 ( 4.681 0.000 -10.112) 11.142 13.267 ( -1.596 0.000 1.645) 2.292 13.742 ( 12.961 0.000 -10.032) 16.390 15.487 ( 0.070 0.000 3.779) 3.780 16.042 ( 2.301 0.000 -8.935) 9.227 17.639 ( -1.590 0.000 17.513) 17.585 18.698 ( 1.918 0.000 -15.789) 15.905 19.450 ( -2.549 0.000 29.525) 29.635 20.274 ( -7.891 0.000 14.869) 16.833 20.652 ( -5.192 0.000 -14.619) 15.514 21.151 ( 6.844 0.000 -8.580) 10.975 ======================= Grid point 137 (68/115) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.163 0.000 9.594) 9.665 1.300 ( -0.061 0.000 14.924) 14.924 1.592 ( 0.220 0.000 2.976) 2.984 1.786 ( -2.239 0.000 9.027) 9.301 2.367 ( -8.974 0.000 16.809) 19.054 2.382 ( -1.769 0.000 -3.546) 3.962 2.630 ( 1.056 0.000 0.884) 1.378 2.678 ( -4.602 0.000 8.097) 9.313 2.732 ( -6.770 0.000 -3.978) 7.852 3.099 ( 3.159 0.000 -6.756) 7.458 3.107 ( 3.790 0.000 -2.549) 4.567 3.335 ( -3.377 0.000 -3.019) 4.530 3.468 ( -1.946 0.000 -6.201) 6.499 3.478 ( -2.922 0.000 -5.139) 5.912 3.652 ( -2.687 0.000 3.385) 4.322 3.729 ( 3.884 0.000 7.564) 8.503 4.050 ( 3.865 0.000 0.518) 3.899 4.136 ( 0.968 0.000 9.219) 9.270 4.288 ( -1.605 0.000 0.239) 1.622 4.493 ( 2.586 0.000 -1.891) 3.203 4.598 ( 1.132 0.000 19.101) 19.134 5.064 ( -2.266 0.000 6.140) 6.545 5.546 ( 3.855 0.000 -4.953) 6.276 5.619 ( 3.241 0.000 -8.898) 9.470 5.786 ( -0.561 0.000 17.634) 17.643 6.061 ( 0.946 0.000 -1.031) 1.399 6.322 ( 0.976 0.000 -8.692) 8.747 6.997 ( -0.413 0.000 -17.929) 17.934 7.065 ( -0.750 0.000 13.547) 13.568 7.752 ( 1.132 0.000 -8.864) 8.936 7.764 ( -2.375 0.000 14.166) 14.363 8.441 ( 0.369 0.000 -10.349) 10.355 10.191 ( -10.716 0.000 5.273) 11.943 10.643 ( -2.746 0.000 -10.953) 11.292 11.884 ( -0.835 0.000 2.857) 2.976 11.902 ( -4.084 0.000 4.823) 6.320 12.607 ( -0.626 0.000 6.238) 6.269 13.120 ( 0.364 0.000 -10.181) 10.187 13.282 ( 2.526 0.000 3.056) 3.965 13.869 ( -0.427 0.000 -12.681) 12.688 15.566 ( 5.817 0.000 -3.032) 6.559 16.075 ( 1.485 0.000 -9.106) 9.226 17.634 ( -1.073 0.000 17.441) 17.474 18.740 ( 3.642 0.000 -18.408) 18.765 19.374 ( -6.936 0.000 29.925) 30.719 20.236 ( 1.784 0.000 21.535) 21.609 20.552 ( -1.628 0.000 -14.027) 14.121 21.257 ( 3.510 0.000 -9.186) 9.834 ======================= Grid point 138 (69/115) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -6.704 0.000 8.802) 11.065 1.231 ( -6.505 0.000 14.012) 15.449 1.678 ( 5.651 0.000 3.539) 6.667 1.869 ( 7.379 0.000 7.352) 10.416 2.236 ( -4.713 0.000 18.852) 19.432 2.351 ( 0.265 0.000 0.198) 0.331 2.551 ( -4.472 0.000 6.697) 8.053 2.664 ( 0.549 0.000 -4.577) 4.610 2.742 ( 5.247 0.000 5.997) 7.968 3.098 ( -1.757 0.000 -5.352) 5.634 3.125 ( -1.176 0.000 -3.034) 3.254 3.224 ( -6.025 0.000 -4.998) 7.828 3.462 ( 2.333 0.000 -4.761) 5.302 3.478 ( 2.430 0.000 -3.923) 4.615 3.576 ( -3.345 0.000 3.412) 4.778 3.852 ( 5.858 0.000 6.182) 8.517 4.116 ( 1.780 0.000 8.927) 9.102 4.190 ( 2.293 0.000 5.252) 5.730 4.208 ( -4.976 0.000 -7.387) 8.907 4.530 ( 0.403 0.000 -1.332) 1.391 4.621 ( -2.082 0.000 19.743) 19.852 5.071 ( 1.996 0.000 7.884) 8.133 5.592 ( 0.485 0.000 -8.928) 8.941 5.649 ( 0.351 0.000 -8.472) 8.479 5.741 ( -4.957 0.000 16.517) 17.245 6.023 ( -3.913 0.000 -1.190) 4.090 6.363 ( 3.261 0.000 -7.638) 8.305 6.969 ( 0.494 0.000 -17.155) 17.162 7.047 ( -2.618 0.000 15.508) 15.728 7.756 ( -0.002 0.000 13.510) 13.510 7.772 ( 1.685 0.000 -10.285) 10.422 8.449 ( 1.577 0.000 -9.914) 10.039 10.098 ( 2.509 0.000 13.487) 13.718 10.599 ( 0.555 0.000 -10.488) 10.503 11.845 ( -1.818 0.000 5.273) 5.578 11.863 ( -1.291 0.000 3.183) 3.435 12.616 ( 0.539 0.000 6.166) 6.190 13.083 ( -2.507 0.000 -8.932) 9.277 13.355 ( 2.946 0.000 4.074) 5.027 13.743 ( -7.986 0.000 -12.227) 14.604 15.658 ( 2.514 0.000 -6.791) 7.241 16.071 ( -0.570 0.000 -9.338) 9.356 17.641 ( -0.596 0.000 16.647) 16.658 18.771 ( 1.163 0.000 -17.756) 17.794 19.313 ( -1.953 0.000 28.770) 28.837 20.358 ( 5.610 0.000 19.894) 20.670 20.554 ( 3.559 0.000 -12.831) 13.316 21.260 ( -1.949 0.000 -10.535) 10.714 ======================= Grid point 139 (70/115) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.202 0.000 14.877) 14.878 1.123 ( -4.697 0.000 17.538) 18.156 1.787 ( 3.006 0.000 2.170) 3.708 1.964 ( -2.191 0.000 10.704) 10.926 2.279 ( 8.128 0.000 8.527) 11.781 2.406 ( 3.543 0.000 3.352) 4.877 2.556 ( 4.340 0.000 9.490) 10.435 2.701 ( 2.920 0.000 -4.102) 5.035 2.822 ( -0.071 0.000 6.547) 6.548 3.047 ( -1.680 0.000 -2.291) 2.841 3.049 ( -2.543 0.000 -4.265) 4.966 3.192 ( 2.826 0.000 -0.509) 2.871 3.500 ( 1.078 0.000 -3.655) 3.811 3.521 ( 1.505 0.000 -0.376) 1.551 3.540 ( -0.331 0.000 -0.575) 0.663 3.916 ( -3.138 0.000 -0.188) 3.143 4.059 ( -3.883 0.000 -0.278) 3.893 4.218 ( 4.520 0.000 11.676) 12.520 4.246 ( 2.315 0.000 4.355) 4.933 4.495 ( -3.218 0.000 -1.149) 3.417 4.555 ( -6.064 0.000 16.190) 17.288 5.149 ( 3.321 0.000 7.737) 8.420 5.534 ( -3.567 0.000 -11.623) 12.158 5.606 ( -2.753 0.000 -11.852) 12.168 5.659 ( -4.229 0.000 17.409) 17.915 5.936 ( -3.101 0.000 2.703) 4.113 6.413 ( 1.935 0.000 -7.897) 8.131 6.973 ( 2.118 0.000 -19.019) 19.136 7.017 ( -1.809 0.000 15.818) 15.921 7.785 ( 0.791 0.000 -10.209) 10.240 7.791 ( 0.890 0.000 14.498) 14.525 8.470 ( 1.371 0.000 -8.987) 9.091 10.335 ( 15.344 0.000 8.896) 17.736 10.638 ( 3.876 0.000 -9.177) 9.962 11.849 ( -0.252 0.000 3.382) 3.392 11.862 ( 3.798 0.000 5.927) 7.039 12.638 ( 0.484 0.000 5.832) 5.852 12.992 ( -4.411 0.000 -6.675) 8.001 13.387 ( -0.895 0.000 3.352) 3.469 13.562 ( -5.929 0.000 -10.147) 11.752 15.646 ( -2.727 0.000 -3.801) 4.678 16.037 ( -0.973 0.000 -9.340) 9.391 17.650 ( -0.859 0.000 16.253) 16.276 18.747 ( -0.876 0.000 -14.333) 14.360 19.350 ( 0.957 0.000 26.408) 26.426 20.480 ( 2.340 0.000 12.400) 12.619 20.656 ( 6.914 0.000 -11.760) 13.641 21.156 ( -5.675 0.000 -11.678) 12.984 ======================= Grid point 140 (71/115) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -3.197 5.293 15.522) 16.708 1.204 ( -0.247 7.166 16.374) 17.875 1.729 ( -1.246 -2.308 5.366) 5.973 1.954 ( -3.478 4.286 5.173) 7.565 2.429 ( 0.179 -1.533 4.563) 4.817 2.503 ( 8.892 -0.893 0.914) 8.983 2.612 ( -1.879 -3.463 9.743) 10.510 2.756 ( 2.473 -2.334 2.892) 4.464 2.810 ( 3.989 0.469 -0.025) 4.017 3.007 ( -0.446 -2.473 -3.541) 4.342 3.030 ( -0.984 0.000 0.767) 1.247 3.261 ( 6.213 -3.821 3.200) 7.965 3.469 ( 0.676 0.680 -2.041) 2.255 3.541 ( 0.869 0.975 0.836) 1.550 3.645 ( -0.171 4.414 -4.470) 6.285 3.827 ( -4.628 2.318 -5.519) 7.567 3.951 ( -2.367 -1.518 6.669) 7.238 4.266 ( -3.700 -1.856 9.480) 10.344 4.336 ( 1.299 1.589 3.092) 3.711 4.447 ( 1.055 1.498 7.043) 7.277 4.515 ( -4.270 5.818 6.730) 9.868 5.144 ( -0.088 -3.731 8.014) 8.840 5.449 ( -2.727 -3.584 -5.130) 6.827 5.505 ( -0.340 2.152 -8.341) 8.621 5.724 ( 1.211 3.771 5.518) 6.793 6.027 ( 1.535 9.581 9.420) 13.523 6.390 ( -1.361 -1.878 -7.655) 7.999 6.935 ( 0.706 -4.125 5.062) 6.568 7.140 ( 1.622 9.206 -12.462) 15.578 7.728 ( -0.298 -4.177 -7.675) 8.743 7.808 ( -0.679 -1.045 12.427) 12.489 8.451 ( 0.200 -2.425 -8.799) 9.130 10.449 ( 3.191 -9.368 1.843) 10.067 10.753 ( 2.310 2.634 -10.588) 11.153 11.846 ( 1.868 -2.002 2.907) 3.994 11.969 ( 3.167 -1.945 3.336) 4.994 12.654 ( -0.642 0.486 5.736) 5.792 12.938 ( 2.507 -1.669 -4.000) 5.007 13.364 ( 2.829 -1.801 -0.313) 3.368 13.514 ( -1.568 3.253 -5.382) 6.481 15.509 ( -4.482 -3.559 4.238) 7.122 16.056 ( -0.042 3.067 -10.977) 11.398 17.648 ( -1.420 0.002 15.780) 15.844 18.670 ( 0.269 -3.958 -14.982) 15.499 19.374 ( 0.952 -3.399 29.263) 29.475 20.324 ( -5.608 -9.303 11.166) 15.579 20.774 ( 1.853 1.187 -12.272) 12.468 21.084 ( -1.084 2.034 -12.159) 12.376 ======================= Grid point 141 (72/115) ======================= q-point: ( 0.20 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -1.016 0.652 16.768) 16.811 1.256 ( 3.059 3.906 15.804) 16.565 1.719 ( -1.159 4.166 3.162) 5.357 1.876 ( -4.059 2.889 5.406) 7.352 2.398 ( -2.485 -1.690 4.831) 5.689 2.520 ( -5.919 -0.022 10.668) 12.200 2.625 ( -0.484 -4.377 -2.155) 4.903 2.727 ( -3.074 -1.347 3.450) 4.813 2.893 ( -1.102 -0.031 -0.265) 1.134 2.993 ( -0.080 -0.432 -1.570) 1.630 3.012 ( 2.955 -0.791 -5.564) 6.349 3.404 ( 3.700 -3.111 -2.701) 5.538 3.454 ( -1.313 -0.457 0.534) 1.489 3.569 ( -4.868 -0.617 -6.440) 8.096 3.622 ( 5.064 2.210 3.891) 6.758 3.765 ( -0.333 5.508 0.772) 5.572 3.956 ( 2.467 -0.202 2.886) 3.802 4.189 ( -4.706 2.123 9.435) 10.755 4.299 ( -3.074 -1.907 2.848) 4.604 4.445 ( 1.721 -0.084 -1.948) 2.601 4.570 ( 3.176 4.853 15.548) 16.595 5.103 ( -3.851 -2.615 5.524) 7.224 5.449 ( 2.919 -4.637 -2.994) 6.244 5.532 ( 3.218 2.765 -5.247) 6.747 5.802 ( 4.166 4.149 7.444) 9.486 6.082 ( 2.010 8.000 7.080) 10.870 6.338 ( -1.772 -1.376 -7.909) 8.221 6.960 ( 0.748 -4.170 3.744) 5.654 7.151 ( 0.843 8.543 -11.833) 14.619 7.707 ( -0.554 -4.161 -6.101) 7.406 7.795 ( -1.875 -0.828 11.566) 11.746 8.434 ( -0.393 -2.393 -9.538) 9.842 10.365 ( -9.617 -7.043 0.859) 11.951 10.740 ( -1.717 2.118 -10.968) 11.302 11.879 ( 0.650 -0.993 2.614) 2.871 11.969 ( -2.807 -1.450 2.775) 4.205 12.630 ( -1.885 0.282 6.005) 6.300 13.022 ( 3.952 -4.048 -5.958) 8.216 13.380 ( -1.660 7.897 -3.584) 8.829 13.623 ( 10.348 -10.140 -5.344) 15.442 15.460 ( 0.299 -2.324 5.171) 5.678 16.059 ( 1.684 1.455 -9.926) 10.173 17.641 ( -1.161 0.370 15.568) 15.615 18.660 ( 1.035 -4.223 -16.575) 17.136 19.440 ( 0.332 -0.870 30.134) 30.148 20.181 ( -7.808 -7.633 16.635) 19.899 20.701 ( -4.690 3.740 -14.642) 15.823 21.136 ( 5.587 -1.469 -9.949) 11.504 ======================= Grid point 142 (73/115) ======================= q-point: ( 0.40 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.815 -1.293 12.412) 12.506 1.355 ( 2.928 3.877 13.592) 14.434 1.689 ( -1.773 6.558 2.459) 7.224 1.813 ( -0.423 3.610 5.881) 6.913 2.347 ( -6.681 -1.335 13.825) 15.413 2.387 ( -4.048 -0.517 0.265) 4.089 2.579 ( 0.622 -3.973 0.768) 4.094 2.665 ( -5.947 -1.118 7.372) 9.537 2.756 ( -6.704 1.863 -3.601) 7.835 3.027 ( 2.231 -4.501 -2.295) 5.523 3.118 ( 4.856 0.035 -4.260) 6.460 3.387 ( -2.274 3.416 -4.026) 5.749 3.427 ( -1.868 -3.580 -2.074) 4.540 3.468 ( -1.763 -1.149 -8.379) 8.639 3.702 ( -2.313 4.762 3.476) 6.333 3.789 ( 3.005 5.421 7.757) 9.929 4.026 ( 3.985 -1.467 0.553) 4.282 4.138 ( -0.607 -0.410 6.716) 6.756 4.277 ( -0.168 -0.280 1.309) 1.350 4.494 ( 2.529 0.018 -2.409) 3.493 4.636 ( 1.016 3.348 16.298) 16.669 5.041 ( -2.075 -1.850 7.111) 7.635 5.529 ( 4.051 -4.383 -2.224) 6.370 5.600 ( 3.310 2.554 -5.985) 7.301 5.859 ( -0.882 4.149 9.507) 10.410 6.110 ( -0.426 4.662 2.832) 5.471 6.322 ( 1.493 0.319 -6.976) 7.141 6.968 ( -0.640 -3.277 3.296) 4.691 7.142 ( -0.182 7.679 -8.287) 11.299 7.692 ( -0.216 -4.277 -1.763) 4.631 7.776 ( -0.669 -0.156 5.083) 5.129 8.418 ( 0.389 -2.336 -10.299) 10.568 10.134 ( -10.334 -5.070 8.284) 14.182 10.671 ( -2.516 2.277 -11.412) 11.906 11.868 ( -2.034 -1.261 3.401) 4.159 11.917 ( -1.788 1.575 3.044) 3.866 12.608 ( -0.821 -0.098 6.656) 6.707 13.073 ( 1.613 -3.278 -6.879) 7.789 13.359 ( 0.448 5.553 -0.645) 5.608 13.741 ( 0.616 -11.009 -8.508) 13.927 15.534 ( 4.962 -2.810 -0.229) 5.707 16.088 ( 1.917 1.105 -10.007) 10.249 17.644 ( -0.634 0.900 14.758) 14.799 18.669 ( 1.929 -6.709 -17.765) 19.088 19.431 ( -4.998 5.157 28.906) 29.785 20.121 ( 0.402 -10.481 23.576) 25.804 20.609 ( -1.343 4.954 -14.321) 15.214 21.228 ( 3.635 -2.797 -10.680) 11.623 ======================= Grid point 143 (74/115) ======================= q-point: (-0.40 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -2.312 4.010 12.005) 12.866 1.347 ( -5.081 7.082 10.920) 13.972 1.701 ( 3.012 2.136 3.779) 5.284 1.910 ( 6.461 4.175 3.758) 8.562 2.226 ( -3.777 -0.936 17.557) 17.983 2.348 ( -0.420 -0.126 1.286) 1.358 2.522 ( -4.748 -2.442 6.278) 8.241 2.644 ( 3.721 -5.754 -1.108) 6.942 2.693 ( 0.103 0.372 3.115) 3.139 3.033 ( -1.113 -4.211 -3.126) 5.361 3.170 ( 0.137 2.036 -4.226) 4.693 3.279 ( -6.565 3.382 -2.988) 7.966 3.433 ( 1.874 -1.453 -3.566) 4.283 3.486 ( 4.499 -0.150 -6.393) 7.819 3.605 ( -4.515 3.290 3.933) 6.833 3.892 ( 4.457 3.561 6.794) 8.872 4.075 ( -1.817 -2.926 4.499) 5.666 4.151 ( 1.737 -1.030 -0.214) 2.031 4.285 ( 1.167 4.824 3.417) 6.026 4.515 ( -0.878 -1.464 -1.428) 2.226 4.662 ( -0.837 3.315 14.062) 14.472 5.046 ( 1.336 -1.869 8.905) 9.196 5.582 ( 0.652 -3.947 -3.170) 5.104 5.632 ( 0.005 2.415 -9.917) 10.207 5.807 ( -4.094 3.933 9.629) 11.178 6.066 ( -3.588 4.325 3.045) 6.391 6.364 ( 2.734 0.303 -6.195) 6.778 6.946 ( -1.584 -2.715 4.418) 5.422 7.128 ( -0.013 7.981 -7.094) 10.678 7.701 ( 1.229 -4.012 1.038) 4.323 7.779 ( 0.393 -0.368 0.299) 0.616 8.426 ( 1.583 -2.347 -9.924) 10.320 10.038 ( 1.440 -5.078 15.847) 16.703 10.633 ( 0.907 2.737 -10.822) 11.200 11.825 ( -2.075 -0.962 3.684) 4.336 11.892 ( -0.980 2.115 3.361) 4.090 12.615 ( 0.488 -0.270 6.720) 6.744 13.061 ( -1.911 -1.951 -7.532) 8.012 13.385 ( 0.844 1.469 2.103) 2.701 13.668 ( -4.597 -5.668 -9.163) 11.714 15.612 ( 1.739 -3.879 -2.974) 5.188 16.101 ( 0.607 2.518 -11.239) 11.533 17.652 ( -0.631 0.835 14.449) 14.487 18.683 ( 1.463 -7.808 -16.654) 18.451 19.358 ( -4.393 3.923 28.115) 28.725 20.231 ( 5.398 -11.179 22.047) 25.302 20.607 ( 2.829 4.548 -13.005) 14.065 21.245 ( -0.601 -1.741 -12.219) 12.357 ======================= Grid point 144 (75/115) ======================= q-point: (-0.20 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.990 7.901 14.526) 16.566 1.242 ( -5.180 8.726 13.445) 16.845 1.753 ( -0.050 -2.105 3.639) 4.204 1.987 ( -0.338 2.131 7.794) 8.087 2.291 ( 7.800 1.095 7.925) 11.173 2.385 ( 2.988 -1.839 6.327) 7.235 2.533 ( 4.256 -2.002 8.220) 9.471 2.701 ( 2.069 -0.278 -3.456) 4.037 2.750 ( 3.165 -5.964 5.642) 8.799 3.005 ( -0.256 -2.775 -1.179) 3.026 3.092 ( -5.143 2.319 -2.568) 6.198 3.201 ( -0.325 0.241 -0.713) 0.820 3.457 ( 0.715 -0.422 -2.664) 2.791 3.548 ( -1.271 1.235 1.070) 2.070 3.594 ( 4.853 3.424 -3.407) 6.847 3.960 ( -2.823 4.012 -1.151) 5.039 3.970 ( -2.870 -6.224 1.345) 6.984 4.231 ( 4.390 1.160 9.025) 10.103 4.319 ( 0.461 5.104 6.184) 8.031 4.459 ( -3.277 -2.240 -0.022) 3.969 4.623 ( -4.605 5.087 10.809) 12.803 5.102 ( 2.209 -3.451 8.645) 9.566 5.540 ( -3.832 -2.753 -3.689) 5.990 5.569 ( -3.390 1.410 -12.540) 13.066 5.741 ( -2.956 3.793 6.414) 8.017 6.010 ( -1.506 7.492 7.928) 11.012 6.402 ( 1.251 -1.043 -7.009) 7.195 6.926 ( -0.703 -3.459 5.986) 6.949 7.126 ( 0.996 9.101 -10.192) 13.700 7.730 ( 1.067 -3.986 -4.390) 6.025 7.792 ( 0.463 -0.922 6.916) 6.992 8.447 ( 1.339 -2.375 -9.032) 9.434 10.237 ( 12.751 -8.055 12.644) 19.681 10.681 ( 4.501 3.056 -9.881) 11.280 11.808 ( 0.448 -2.123 3.718) 4.305 11.897 ( 1.408 1.968 4.252) 4.893 12.640 ( 0.788 -0.059 6.350) 6.399 12.980 ( -4.112 -1.113 -6.068) 7.414 13.367 ( -2.105 -3.570 0.490) 4.174 13.576 ( -2.769 2.937 -6.901) 7.995 15.594 ( -2.903 -4.323 -0.344) 5.219 16.083 ( -0.626 3.802 -11.880) 12.489 17.654 ( -1.111 0.256 15.112) 15.155 18.682 ( 0.586 -5.986 -14.651) 15.837 19.337 ( -1.337 -1.101 27.612) 27.667 20.348 ( 1.826 -10.724 15.054) 18.573 20.686 ( 5.803 2.381 -11.740) 13.310 21.175 ( -3.837 0.972 -13.410) 13.982 ======================= Grid point 145 (76/115) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -5.689 7.530 12.827) 15.924 1.318 ( -1.815 3.860 11.134) 11.923 1.763 ( 1.008 5.961 4.250) 7.390 2.032 ( -1.672 2.685 1.676) 3.579 2.399 ( -0.007 -1.542 11.177) 11.283 2.474 ( 5.612 -1.406 -0.114) 5.787 2.521 ( -0.438 -4.976 10.166) 11.327 2.700 ( 0.671 -2.475 0.913) 2.722 2.795 ( 6.732 -1.984 0.106) 7.019 2.938 ( 2.069 -3.882 1.431) 4.626 3.039 ( -2.175 0.837 5.921) 6.363 3.210 ( 2.298 -0.877 0.219) 2.469 3.479 ( 0.073 -0.454 -4.768) 4.790 3.606 ( 0.613 4.087 1.008) 4.254 3.707 ( -2.107 2.630 -3.771) 5.057 3.788 ( -0.315 -4.070 -2.358) 4.714 3.998 ( -3.194 4.134 0.484) 5.246 4.193 ( -0.749 -4.382 -0.547) 4.479 4.424 ( 0.837 5.904 4.337) 7.374 4.506 ( -3.121 4.396 7.053) 8.877 4.656 ( -2.190 7.628 7.964) 11.243 5.067 ( -0.054 -3.722 7.707) 8.559 5.388 ( -3.400 -2.438 -4.222) 5.944 5.547 ( 1.122 1.536 -7.417) 7.657 5.754 ( 1.297 -0.426 5.067) 5.247 6.266 ( 0.867 11.165 10.431) 15.304 6.345 ( -1.400 -1.028 -2.198) 2.802 6.833 ( -0.095 -5.445 8.070) 9.736 7.371 ( 1.474 12.055 -14.334) 18.788 7.624 ( -0.345 -5.346 -10.562) 11.842 7.771 ( -0.313 -2.366 8.597) 8.922 8.376 ( 0.288 -4.728 -8.953) 10.129 10.228 ( 3.121 -11.279 11.758) 16.589 10.793 ( 1.945 1.255 -10.962) 11.203 11.797 ( 1.867 -1.855 3.454) 4.342 11.970 ( 1.153 1.681 1.316) 2.426 12.653 ( -0.451 -0.576 6.713) 6.752 12.907 ( 0.383 -1.135 -3.004) 3.234 13.241 ( 2.729 -7.341 2.678) 8.277 13.651 ( -2.592 7.252 -8.433) 11.420 15.428 ( -3.460 -3.861 7.901) 9.450 16.125 ( -1.478 3.351 -13.891) 14.366 17.648 ( -0.716 -0.002 13.419) 13.438 18.541 ( 1.011 -8.264 -14.519) 16.737 19.293 ( 0.444 -4.032 30.866) 31.132 20.145 ( -3.598 -7.160 15.407) 17.367 20.781 ( 2.473 -0.453 -12.923) 13.165 21.112 ( -1.793 0.422 -14.907) 15.020 ======================= Grid point 146 (77/115) ======================= q-point: ( 0.20 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -3.529 7.399 15.685) 17.698 1.338 ( 2.382 4.304 10.842) 11.906 1.814 ( 1.892 5.186 3.775) 6.688 1.964 ( -3.729 4.813 -0.266) 6.094 2.361 ( -3.020 -2.092 9.983) 10.637 2.452 ( -6.096 -7.145 6.884) 11.645 2.558 ( 0.211 -0.537 0.137) 0.593 2.704 ( -0.926 -0.660 3.811) 3.977 2.877 ( 0.635 -1.736 -1.761) 2.553 2.989 ( -3.680 0.287 4.460) 5.790 2.998 ( 3.729 -1.330 -3.139) 5.053 3.308 ( 4.685 -4.038 2.459) 6.656 3.464 ( -0.596 -0.160 -4.275) 4.319 3.526 ( -7.279 -3.085 -8.757) 11.798 3.701 ( 4.657 4.709 5.745) 8.767 3.857 ( 5.437 1.499 -1.849) 5.935 3.968 ( 0.560 2.670 2.877) 3.964 4.239 ( 3.288 -0.873 0.843) 3.505 4.291 ( -11.381 4.469 3.658) 12.762 4.467 ( 0.994 3.298 0.039) 3.445 4.698 ( 1.412 6.883 12.545) 14.378 5.036 ( -2.982 -3.828 6.612) 8.202 5.366 ( 1.848 -3.064 -2.535) 4.385 5.600 ( 3.666 2.877 -4.288) 6.333 5.835 ( 4.529 -0.580 5.453) 7.112 6.251 ( -2.490 2.816 3.468) 5.114 6.346 ( 0.961 6.804 3.812) 7.858 6.852 ( 0.714 -5.967 6.653) 8.965 7.371 ( 0.323 11.794 -13.910) 18.240 7.604 ( -0.237 -5.364 -8.112) 9.728 7.765 ( -1.035 -1.945 6.829) 7.176 8.362 ( -0.274 -4.518 -9.617) 10.628 10.189 ( -7.379 -9.422 9.656) 15.377 10.779 ( -1.477 1.482 -11.534) 11.722 11.842 ( 1.292 -1.818 3.379) 4.049 11.980 ( -0.372 2.163 0.451) 2.241 12.628 ( -2.249 -0.542 6.647) 7.038 12.949 ( 3.131 -2.830 -3.229) 5.314 13.358 ( 5.941 -11.009 1.141) 12.561 13.566 ( -3.312 6.309 -6.652) 9.748 15.404 ( 0.609 -2.870 8.109) 8.624 16.093 ( 0.510 1.649 -11.753) 11.879 17.658 ( -0.174 1.178 11.996) 12.055 18.523 ( -0.542 -8.514 -14.952) 17.214 19.405 ( 5.540 -2.956 30.141) 30.788 20.023 ( -9.592 -6.486 19.282) 22.492 20.773 ( -1.146 2.831 -15.313) 15.614 21.094 ( 2.257 -2.368 -12.834) 13.244 ======================= Grid point 147 (78/115) ======================= q-point: ( 0.40 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 2.579 7.618 14.557) 16.631 1.425 ( 3.084 2.959 10.061) 10.931 1.801 ( -3.093 4.983 1.941) 6.178 1.936 ( 2.114 6.654 -0.326) 6.990 2.286 ( -8.666 -5.514 9.582) 14.047 2.359 ( 1.011 -1.523 6.943) 7.179 2.527 ( -2.142 -0.310 -1.367) 2.560 2.631 ( -7.302 -2.199 7.448) 10.660 2.796 ( -5.450 1.973 -3.518) 6.780 2.954 ( 0.016 -2.227 1.115) 2.490 3.097 ( 4.804 -2.499 -2.081) 5.801 3.335 ( 0.443 -3.382 -3.363) 4.790 3.438 ( -0.481 -1.666 -6.115) 6.356 3.444 ( -1.389 0.805 -3.172) 3.555 3.827 ( 0.639 5.932 4.159) 7.272 3.926 ( 1.556 6.734 6.911) 9.774 4.001 ( 1.961 -0.105 2.784) 3.407 4.118 ( -1.817 -0.348 -1.227) 2.220 4.316 ( 3.285 3.880 4.075) 6.516 4.497 ( 1.244 0.501 -3.717) 3.951 4.710 ( -0.777 3.241 7.899) 8.573 5.003 ( -1.087 -1.794 10.993) 11.192 5.430 ( 3.715 -4.508 -2.711) 6.440 5.665 ( 2.615 2.628 -4.628) 5.931 5.897 ( -0.429 -0.598 5.557) 5.606 6.216 ( -1.111 4.068 4.592) 6.235 6.368 ( 0.678 5.407 2.713) 6.087 6.872 ( -0.070 -5.586 8.139) 9.872 7.352 ( 0.016 11.574 -13.630) 17.881 7.592 ( 0.132 -5.000 -4.401) 6.662 7.758 ( -0.054 -1.330 1.254) 1.829 8.346 ( 0.317 -4.525 -10.351) 11.301 10.010 ( -8.966 -6.372 14.494) 18.195 10.719 ( -1.940 2.112 -11.640) 11.988 11.849 ( -1.024 -0.550 3.153) 3.360 11.967 ( -0.807 3.263 0.571) 3.410 12.597 ( -1.189 -0.882 7.566) 7.710 13.006 ( 2.158 -3.052 -3.980) 5.460 13.396 ( -2.087 -7.302 -2.383) 7.960 13.554 ( 2.564 -0.827 -2.437) 3.632 15.467 ( 3.498 -3.359 4.915) 6.905 16.114 ( 2.720 1.388 -11.531) 11.928 17.670 ( -0.315 1.592 10.380) 10.506 18.492 ( -0.036 -9.610 -14.655) 17.525 19.551 ( 0.702 5.210 26.092) 26.617 19.857 ( -4.898 -13.430 26.785) 30.361 20.726 ( -0.637 5.806 -14.824) 15.933 21.145 ( 3.463 -5.023 -13.842) 15.127 ======================= Grid point 148 (79/115) ======================= q-point: (-0.40 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 2.557 9.807 12.115) 15.796 1.435 ( -3.545 1.559 9.835) 10.570 1.772 ( 0.595 4.631 1.472) 4.895 2.016 ( 3.093 4.861 -3.396) 6.688 2.188 ( 0.319 -2.845 14.476) 14.756 2.365 ( -2.409 2.233 6.800) 7.552 2.458 ( -3.454 -4.173 3.999) 6.733 2.533 ( 0.854 -2.859 3.450) 4.562 2.714 ( -2.054 1.011 -0.849) 2.442 2.952 ( -0.610 -3.384 0.741) 3.518 3.168 ( 2.137 -2.032 -2.255) 3.712 3.311 ( -7.580 -0.097 -1.798) 7.791 3.421 ( 3.592 0.050 -4.367) 5.655 3.482 ( 6.001 0.037 -6.368) 8.751 3.715 ( -6.235 6.064 3.776) 9.482 3.944 ( -2.725 0.754 6.019) 6.650 4.079 ( 1.856 4.884 2.000) 5.594 4.156 ( 4.822 1.512 2.997) 5.875 4.395 ( 3.043 5.466 4.703) 7.826 4.468 ( -3.117 -2.932 -4.988) 6.572 4.732 ( 1.565 3.185 5.229) 6.320 5.009 ( -0.012 -1.814 11.740) 11.879 5.488 ( 1.622 -4.839 -4.618) 6.883 5.675 ( -1.374 1.183 -8.121) 8.321 5.848 ( -4.053 -0.424 6.444) 7.625 6.203 ( -0.817 8.436 8.618) 12.087 6.382 ( 0.327 1.774 -0.117) 1.808 6.865 ( -1.791 -4.829 10.427) 11.630 7.344 ( 1.122 11.769 -14.003) 18.326 7.609 ( 1.959 -4.490 -4.414) 6.594 7.756 ( -0.305 -1.686 -0.735) 1.864 8.352 ( 1.479 -4.786 -10.031) 11.212 9.922 ( -0.244 -5.572 20.311) 21.063 10.690 ( 1.137 2.526 -10.917) 11.263 11.816 ( -2.151 0.050 2.698) 3.451 11.949 ( -0.805 3.480 1.346) 3.817 12.601 ( 0.411 -1.019 7.956) 8.031 13.012 ( -1.190 -2.563 -4.975) 5.722 13.325 ( -3.958 -7.384 -0.206) 8.381 13.619 ( 3.627 1.509 -4.143) 5.709 15.523 ( 0.580 -4.307 3.263) 5.434 16.159 ( 2.613 2.901 -13.569) 14.119 17.668 ( -1.230 0.691 10.642) 10.735 18.490 ( 1.802 -10.045 -13.986) 17.314 19.443 ( -9.901 3.197 27.562) 29.460 19.968 ( 7.411 -12.458 24.748) 28.681 20.711 ( 1.013 4.873 -13.382) 14.277 21.182 ( 1.697 -4.215 -15.540) 16.190 ======================= Grid point 149 (80/115) ======================= q-point: (-0.20 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.301 9.651 11.654) 15.134 1.364 ( -3.632 2.314 11.355) 12.144 1.773 ( -1.251 4.616 1.495) 5.010 2.031 ( 0.225 1.560 3.811) 4.124 2.315 ( 6.693 0.987 7.194) 9.876 2.351 ( 2.096 -0.644 10.129) 10.364 2.482 ( 2.759 -3.134 8.129) 9.139 2.624 ( 7.221 -4.592 -1.021) 8.618 2.690 ( -0.312 -1.068 2.210) 2.474 2.933 ( -1.142 -3.840 2.188) 4.565 3.130 ( -7.201 0.999 0.167) 7.272 3.192 ( 0.405 -0.563 -1.828) 1.955 3.465 ( 1.691 0.052 -4.554) 4.858 3.609 ( -0.285 3.527 -0.282) 3.549 3.659 ( 4.996 3.906 -2.408) 6.784 3.858 ( -5.019 -3.440 2.111) 6.440 4.064 ( -2.373 5.335 -0.463) 5.857 4.246 ( -0.274 -0.461 3.202) 3.247 4.387 ( -0.529 0.143 3.208) 3.255 4.471 ( 2.565 5.389 3.177) 6.761 4.738 ( -2.668 5.880 5.701) 8.614 5.035 ( 1.079 -3.044 9.696) 10.220 5.472 ( -2.533 -3.706 -5.165) 6.843 5.594 ( -3.758 0.637 -10.303) 10.985 5.772 ( -3.202 -0.543 5.712) 6.571 6.221 ( 1.147 11.636 11.464) 16.375 6.376 ( -0.804 -1.015 -2.292) 2.632 6.839 ( -1.614 -4.738 10.328) 11.477 7.356 ( 1.668 11.955 -14.394) 18.785 7.637 ( 0.909 -4.577 -9.682) 10.748 7.756 ( 0.318 -2.387 5.511) 6.014 8.371 ( 1.344 -4.877 -9.200) 10.499 10.056 ( 8.542 -8.696 18.984) 22.560 10.735 ( 3.954 2.052 -10.253) 11.179 11.781 ( -1.002 -0.452 2.884) 3.086 11.946 ( 0.469 2.916 1.876) 3.499 12.630 ( 1.085 -0.796 7.626) 7.744 12.952 ( -3.185 -1.401 -4.507) 5.694 13.246 ( -2.779 -6.866 1.189) 7.502 13.674 ( 1.553 5.312 -6.614) 8.624 15.498 ( -3.138 -4.549 4.971) 7.433 16.169 ( -0.048 4.171 -15.149) 15.713 17.653 ( -1.438 -0.387 12.685) 12.772 18.521 ( 2.479 -9.194 -13.853) 16.810 19.308 ( -5.750 -1.748 29.864) 30.463 20.125 ( 3.313 -9.471 18.533) 21.074 20.734 ( 2.812 1.844 -12.540) 12.984 21.170 ( -0.822 -1.572 -16.132) 16.229 ======================= Grid point 150 (81/115) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -1.907 4.339 11.756) 12.676 1.433 ( -1.072 6.529 7.982) 10.368 1.889 ( 1.627 3.211 0.143) 3.602 2.068 ( -0.743 2.305 2.812) 3.711 2.357 ( -4.059 -2.085 3.265) 5.611 2.420 ( 1.540 -4.515 8.610) 9.843 2.479 ( 2.800 1.606 6.676) 7.415 2.664 ( 2.258 -1.129 0.655) 2.608 2.742 ( 5.991 -2.664 3.945) 7.652 2.859 ( 3.059 -3.510 4.774) 6.668 3.059 ( -2.049 0.896 6.642) 7.009 3.204 ( 0.003 -0.185 -1.079) 1.095 3.462 ( -0.117 -0.915 -4.731) 4.820 3.625 ( -4.708 -1.329 -5.840) 7.618 3.714 ( 2.341 -2.852 -0.030) 3.690 3.803 ( -3.452 5.008 1.807) 6.345 4.086 ( -4.910 3.797 -5.075) 8.018 4.113 ( 3.328 -1.796 -4.625) 5.974 4.535 ( 3.346 3.792 7.778) 9.277 4.619 ( -4.408 6.209 4.580) 8.886 4.818 ( -1.458 7.519 5.000) 9.146 4.985 ( -0.803 -4.093 5.558) 6.949 5.340 ( -2.025 -2.393 -3.761) 4.896 5.568 ( 1.806 0.654 -2.226) 2.941 5.721 ( 1.251 -2.501 3.300) 4.326 6.286 ( -2.919 -1.425 4.642) 5.665 6.517 ( 1.346 9.001 9.851) 13.412 6.738 ( -0.976 -2.712 8.463) 8.940 7.489 ( 0.479 -3.852 -5.338) 6.600 7.593 ( -0.506 2.166 -6.389) 6.765 7.755 ( 1.169 4.212 -9.840) 10.768 8.262 ( 0.589 -6.196 -9.497) 11.355 10.016 ( 1.936 -8.682 19.236) 21.193 10.808 ( 1.716 0.343 -10.196) 10.345 11.775 ( 0.791 -0.501 4.283) 4.384 12.023 ( 0.925 3.092 -1.482) 3.552 12.637 ( -0.457 -0.833 6.983) 7.047 12.897 ( -0.502 0.282 -1.946) 2.030 13.107 ( 0.785 -5.491 6.203) 8.321 13.770 ( -1.943 4.154 -11.522) 12.401 15.362 ( -2.777 -2.496 10.556) 11.197 16.185 ( -2.851 2.314 -15.806) 16.227 17.646 ( 0.642 -0.220 11.163) 11.183 18.360 ( 1.235 -8.411 -11.476) 14.282 19.220 ( -0.812 -2.909 31.456) 31.600 20.042 ( -2.409 -3.010 17.785) 18.198 20.762 ( 2.442 -1.119 -14.953) 15.192 21.104 ( -1.046 -0.959 -16.695) 16.755 ======================= Grid point 151 (82/115) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -1.153 9.880 13.950) 17.133 1.451 ( 1.861 6.679 5.919) 9.116 1.915 ( 0.623 3.648 -1.217) 3.895 2.043 ( -1.620 2.412 0.975) 3.065 2.256 ( -4.625 -7.368 5.517) 10.302 2.368 ( -4.766 -0.217 7.964) 9.283 2.553 ( 1.229 -0.761 2.625) 2.996 2.701 ( -2.113 0.038 4.309) 4.800 2.826 ( 3.218 -2.449 -1.871) 4.456 2.947 ( 3.513 -3.218 2.256) 5.271 3.008 ( -4.297 1.391 6.870) 8.222 3.247 ( 4.237 -2.453 1.731) 5.193 3.443 ( -0.802 -1.556 -4.667) 4.984 3.467 ( -7.163 -2.226 -8.792) 11.557 3.753 ( 3.598 -0.819 1.573) 4.011 3.886 ( 7.725 3.598 3.579) 9.242 4.035 ( 1.639 2.329 -1.450) 3.196 4.227 ( 4.953 0.841 -3.066) 5.886 4.396 ( -11.523 4.553 2.781) 12.698 4.582 ( -0.764 6.760 3.266) 7.546 4.832 ( -1.912 5.570 4.498) 7.411 4.948 ( -1.145 -4.430 8.058) 9.266 5.323 ( 0.873 -1.223 -1.886) 2.411 5.634 ( 3.603 0.598 -2.677) 4.528 5.793 ( 3.989 -3.245 5.122) 7.258 6.246 ( -0.939 -0.261 5.469) 5.556 6.545 ( -0.349 8.760 10.236) 13.477 6.736 ( 0.010 -4.357 6.037) 7.446 7.492 ( 0.283 -3.978 -4.604) 6.091 7.574 ( -0.337 3.333 -6.961) 7.725 7.759 ( 0.567 4.321 -9.266) 10.240 8.253 ( -0.091 -6.005 -10.233) 11.866 10.006 ( -5.055 -7.719 17.541) 19.820 10.799 ( -1.006 0.557 -11.086) 11.145 11.814 ( 1.715 -1.015 4.632) 5.042 12.041 ( 0.803 3.459 -2.142) 4.147 12.611 ( -2.403 -0.930 6.644) 7.126 12.911 ( 1.920 -0.733 -1.542) 2.569 13.159 ( 2.510 -7.731 6.236) 10.245 13.672 ( -4.722 3.670 -9.573) 11.287 15.352 ( 0.617 -2.057 10.949) 11.158 16.123 ( -0.314 1.183 -13.226) 13.282 17.684 ( 1.134 1.209 9.327) 9.473 18.345 ( -0.894 -7.854 -11.476) 13.935 19.317 ( 5.581 -5.021 30.330) 31.245 19.937 ( -9.619 -2.109 20.229) 22.498 20.808 ( 3.423 0.570 -16.453) 16.814 21.050 ( -1.305 -1.700 -15.384) 15.532 ======================= Grid point 152 (83/115) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 1.913 10.097 13.053) 16.613 1.493 ( 0.073 3.830 5.857) 6.999 1.896 ( -1.827 3.816 -3.388) 5.420 2.046 ( 2.537 3.607 2.046) 4.861 2.156 ( -5.609 -5.606 3.461) 8.653 2.328 ( 0.629 -1.556 6.431) 6.646 2.537 ( -3.042 0.072 0.522) 3.087 2.580 ( -6.980 -2.246 8.019) 10.866 2.842 ( -3.119 2.549 -2.762) 4.885 2.930 ( -2.385 -0.426 4.442) 5.060 3.037 ( 4.439 -2.288 1.191) 5.134 3.299 ( 1.628 -0.650 -3.937) 4.310 3.397 ( 1.161 -2.372 -4.347) 5.086 3.428 ( -0.145 -1.704 -4.422) 4.741 3.842 ( 0.507 -3.274 2.761) 4.313 4.037 ( 5.424 5.999 6.279) 10.239 4.101 ( -2.678 6.258 6.440) 9.371 4.156 ( 2.866 3.618 -2.210) 5.117 4.393 ( 4.880 2.655 -1.061) 5.656 4.530 ( -3.986 2.841 -2.236) 5.381 4.754 ( -2.452 1.008 0.556) 2.709 4.967 ( -0.042 -1.644 10.862) 10.986 5.357 ( 2.139 -2.481 -1.415) 3.568 5.687 ( 1.341 -0.317 -2.117) 2.526 5.845 ( -0.477 -4.102 4.916) 6.420 6.277 ( 2.737 2.878 5.663) 6.918 6.526 ( -2.640 8.266 11.455) 14.371 6.754 ( 0.541 -5.450 6.344) 8.381 7.479 ( -1.044 -3.428 1.312) 3.816 7.574 ( 2.020 5.019 -15.423) 16.344 7.757 ( 0.316 3.444 -9.142) 9.774 8.236 ( 0.112 -6.070 -10.856) 12.438 9.891 ( -6.829 -4.856 20.259) 21.924 10.752 ( -1.388 1.078 -11.172) 11.309 11.840 ( -0.148 -0.441 4.107) 4.133 12.046 ( -0.181 4.072 -1.956) 4.521 12.576 ( -1.435 -1.095 7.707) 7.916 12.956 ( 1.895 -1.606 -2.329) 3.405 13.195 ( -0.309 -8.825 3.852) 9.634 13.601 ( 0.117 2.317 -5.021) 5.531 15.405 ( 2.347 -2.479 9.358) 9.961 16.143 ( 3.607 1.310 -12.868) 13.428 17.706 ( -0.460 1.779 7.635) 7.852 18.306 ( -0.804 -7.809 -10.978) 13.496 19.520 ( 8.167 -9.140 29.045) 31.525 19.716 ( -12.217 1.452 23.804) 26.795 20.830 ( 0.219 4.043 -15.377) 15.901 21.038 ( 2.636 -4.960 -16.858) 17.770 ======================= Grid point 153 (84/115) ======================= q-point: (-0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -0.306 4.813 10.446) 11.506 1.455 ( -2.809 1.209 8.433) 8.971 1.866 ( -0.442 3.879 -3.283) 5.101 2.064 ( -1.375 0.203 -0.754) 1.582 2.161 ( 6.128 1.096 6.611) 9.081 2.358 ( 0.622 -4.478 2.894) 5.368 2.432 ( -4.024 3.288 10.141) 11.395 2.524 ( -0.434 0.731 4.640) 4.717 2.736 ( -4.797 1.262 -2.318) 5.476 2.898 ( -1.615 -1.908 4.057) 4.765 3.122 ( 3.106 -1.635 0.668) 3.573 3.303 ( -5.411 -0.534 -3.166) 6.292 3.412 ( 2.865 -0.975 -4.910) 5.767 3.488 ( 7.466 0.438 -5.581) 9.332 3.753 ( -5.314 -1.996 3.594) 6.718 4.044 ( -4.206 8.721 4.687) 10.757 4.192 ( 6.077 3.298 8.631) 11.059 4.217 ( 0.358 5.047 -0.248) 5.066 4.402 ( -4.664 -2.337 -7.741) 9.335 4.506 ( 4.117 4.715 2.369) 6.692 4.784 ( 4.305 1.453 -0.487) 4.570 4.964 ( -1.202 -2.489 9.753) 10.137 5.395 ( 1.330 -3.975 -3.631) 5.546 5.672 ( -2.627 -1.289 -0.950) 3.076 5.803 ( -3.367 -3.315 4.122) 6.270 6.339 ( 1.662 3.729 3.772) 5.558 6.481 ( -2.578 7.984 12.536) 15.084 6.763 ( -0.826 -4.604 9.072) 10.207 7.470 ( 0.144 -3.051 1.927) 3.611 7.608 ( 2.892 5.184 -19.309) 20.201 7.740 ( -0.505 2.580 -8.407) 8.808 8.235 ( 1.237 -6.351 -10.392) 12.242 9.825 ( -1.359 -3.722 23.821) 24.149 10.730 ( 1.050 1.337 -10.320) 10.459 11.820 ( -2.011 0.139 3.421) 3.971 12.030 ( -0.853 4.084 -1.243) 4.353 12.578 ( 0.538 -1.043 8.463) 8.544 12.967 ( -0.626 -1.577 -3.240) 3.657 13.164 ( -2.507 -7.053 3.317) 8.187 13.664 ( 5.422 1.913 -4.986) 7.610 15.446 ( -0.159 -3.012 8.052) 8.599 16.215 ( 4.201 2.441 -15.008) 15.775 17.682 ( -2.539 0.785 8.072) 8.498 18.297 ( 1.438 -8.282 -10.582) 13.515 19.440 ( -12.343 -3.792 30.265) 32.904 19.797 ( 9.443 -3.287 22.961) 25.044 20.790 ( -1.336 2.653 -14.032) 14.343 21.090 ( 3.736 -4.203 -18.456) 19.293 ======================= Grid point 154 (85/115) ======================= q-point: (-0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -2.272 0.785 12.059) 12.296 1.446 ( -0.713 4.195 8.074) 9.126 1.858 ( 0.630 1.641 -0.999) 2.022 2.070 ( 0.292 3.558 3.602) 5.072 2.303 ( 5.970 -2.736 4.875) 8.179 2.374 ( 0.858 1.477 5.310) 5.578 2.432 ( 1.701 0.471 9.303) 9.469 2.581 ( 5.588 -0.201 2.341) 6.062 2.665 ( -1.635 -1.330 1.657) 2.681 2.860 ( -2.509 -3.139 4.886) 6.326 3.126 ( -4.473 -0.793 1.478) 4.777 3.200 ( -0.012 1.050 -1.860) 2.136 3.455 ( 1.502 -0.778 -4.763) 5.055 3.638 ( 3.653 0.225 -3.882) 5.335 3.694 ( 0.576 -1.893 -0.689) 2.095 3.916 ( -6.859 8.180 3.686) 11.294 4.141 ( -5.020 0.613 -1.958) 5.423 4.225 ( -5.234 0.872 -4.844) 7.184 4.407 ( 6.114 1.669 6.579) 9.135 4.597 ( 3.464 5.746 3.046) 7.369 4.860 ( 0.770 5.817 1.019) 5.955 4.964 ( 0.433 -4.136 8.921) 9.843 5.389 ( -1.264 -4.126 -5.681) 7.134 5.593 ( -3.507 -0.683 -1.409) 3.841 5.737 ( -2.762 -2.315 3.429) 4.975 6.339 ( -2.042 -0.029 3.350) 3.924 6.476 ( 0.557 9.728 11.893) 15.375 6.751 ( -1.358 -3.127 9.884) 10.455 7.483 ( 0.654 -2.907 -1.116) 3.182 7.615 ( -0.022 2.053 -13.837) 13.988 7.737 ( 1.481 3.998 -9.477) 10.392 8.253 ( 1.467 -6.399 -9.611) 11.639 9.901 ( 4.489 -6.046 23.232) 24.422 10.765 ( 3.061 0.869 -9.646) 10.158 11.780 ( -1.653 0.160 3.483) 3.859 12.016 ( -0.184 3.618 -0.954) 3.746 12.613 ( 1.272 -0.770 8.142) 8.276 12.931 ( -1.899 -0.432 -2.969) 3.551 13.116 ( -2.061 -5.459 4.492) 7.364 13.764 ( 3.747 3.200 -8.885) 10.161 15.419 ( -3.149 -2.991 8.723) 9.744 16.245 ( 0.207 3.141 -17.107) 17.395 17.642 ( -1.841 -0.531 10.554) 10.726 18.330 ( 2.655 -8.667 -10.920) 14.192 19.265 ( -7.488 -2.216 31.676) 32.624 19.988 ( 4.864 -3.847 19.400) 20.367 20.755 ( 0.142 0.222 -14.164) 14.166 21.124 ( 1.598 -2.406 -18.061) 18.290 ======================= Grid point 155 (86/115) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 1.912 5.192 10.010) 11.437 1.513 ( 2.495 0.300 7.966) 8.353 1.877 ( 1.927 -1.717 2.099) 3.326 2.144 ( -2.256 3.132 0.785) 3.939 2.318 ( -7.407 -1.630 1.509) 7.733 2.357 ( 4.068 -1.343 0.274) 4.292 2.507 ( 0.106 0.635 10.158) 10.178 2.654 ( 5.447 0.175 1.292) 5.601 2.702 ( 3.606 -1.048 8.339) 9.146 2.803 ( 2.224 -1.648 5.295) 5.975 3.071 ( -1.172 0.255 5.716) 5.840 3.198 ( -2.048 -0.243 -0.427) 2.107 3.449 ( -0.512 -0.243 -4.810) 4.843 3.599 ( -6.040 -0.756 -6.556) 8.946 3.671 ( 2.345 -1.200 0.319) 2.653 3.864 ( -3.568 1.125 0.993) 3.871 4.057 ( -0.352 -1.234 -7.636) 7.743 4.216 ( -1.118 4.842 -6.992) 8.578 4.564 ( 2.447 -0.349 10.197) 10.492 4.744 ( -1.047 5.582 3.720) 6.789 4.858 ( -1.664 -4.245 6.796) 8.184 4.981 ( -1.617 3.409 0.997) 3.902 5.296 ( 0.254 -1.521 -4.375) 4.639 5.576 ( 1.692 0.150 12.809) 12.922 5.672 ( 0.922 -1.607 -9.425) 9.606 6.271 ( -3.476 -0.196 14.601) 15.011 6.595 ( 0.322 0.011 -3.165) 3.182 6.768 ( -1.067 3.475 16.685) 17.077 7.406 ( 1.052 -2.871 -6.118) 6.839 7.562 ( -0.901 -2.027 0.444) 2.262 7.920 ( 2.009 8.153 -19.392) 21.132 8.128 ( 0.528 -6.403 -9.641) 11.586 9.890 ( 0.861 -3.219 22.890) 23.131 10.811 ( 1.579 0.029 -9.535) 9.664 11.769 ( 0.101 -0.150 5.591) 5.594 12.077 ( 0.966 1.662 -3.217) 3.748 12.623 ( -0.608 -0.375 6.351) 6.391 12.917 ( -0.450 1.302 -3.139) 3.428 13.018 ( -0.231 -2.875 10.000) 10.407 13.824 ( -1.692 1.210 -13.100) 13.264 15.328 ( -2.463 -0.815 11.864) 12.144 16.217 ( -3.728 0.809 -16.722) 17.151 17.642 ( 1.517 -0.130 9.874) 9.991 18.230 ( 1.599 -3.509 -8.867) 9.669 19.178 ( -2.037 -1.041 31.625) 31.707 20.008 ( -2.100 -0.639 18.938) 19.065 20.743 ( 2.492 -0.578 -16.749) 16.943 21.085 ( -0.321 -0.607 -17.628) 17.641 ======================= Grid point 156 (87/115) ======================= q-point: ( 0.20 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 1.108 5.816 12.543) 13.870 1.579 ( 2.418 4.350 1.778) 5.285 1.924 ( 1.551 -2.128 -1.334) 2.952 2.082 ( -3.378 2.188 3.561) 5.374 2.140 ( -5.747 -3.725 4.334) 8.105 2.392 ( -1.944 1.604 -1.117) 2.757 2.523 ( 0.267 -1.543 6.965) 7.139 2.684 ( -6.002 -1.201 2.986) 6.811 2.818 ( 6.949 1.476 1.228) 7.209 2.882 ( 4.537 -2.745 3.844) 6.550 3.034 ( -4.444 0.840 7.551) 8.802 3.203 ( 4.279 -1.412 2.857) 5.335 3.411 ( -2.245 -1.147 -5.471) 6.024 3.442 ( -6.112 -0.384 -8.740) 10.672 3.721 ( 3.257 -1.167 0.415) 3.484 3.969 ( 9.419 3.444 3.368) 10.579 4.042 ( 2.908 -1.306 -1.324) 3.452 4.280 ( 5.573 3.101 -7.060) 9.514 4.445 ( -11.719 0.157 4.119) 12.423 4.712 ( -3.072 5.653 5.025) 8.163 4.833 ( -3.579 -4.482 8.087) 9.915 4.940 ( -0.302 2.376 -0.794) 2.524 5.310 ( 1.013 -0.165 -0.822) 1.315 5.649 ( 2.757 1.489 3.679) 4.832 5.713 ( 2.978 -3.968 -0.417) 4.979 6.256 ( 0.733 0.779 14.973) 15.011 6.604 ( 0.984 -1.359 -3.746) 4.105 6.748 ( -2.855 3.449 15.763) 16.387 7.422 ( 0.750 -2.156 -4.452) 5.003 7.557 ( 0.748 -1.716 -1.941) 2.696 7.926 ( 0.882 8.714 -17.850) 19.883 8.118 ( -0.106 -6.943 -10.635) 12.701 9.892 ( -3.606 -2.947 21.981) 22.469 10.805 ( -0.744 0.094 -10.590) 10.616 11.799 ( 1.552 -0.423 6.180) 6.386 12.101 ( 1.375 1.795 -3.689) 4.327 12.595 ( -2.437 -0.483 5.910) 6.411 12.918 ( 1.032 0.936 -3.068) 3.370 13.042 ( 0.728 -3.461 10.571) 11.147 13.719 ( -5.367 1.021 -10.804) 12.107 15.323 ( 0.471 -0.714 12.699) 12.728 16.140 ( -0.581 0.438 -14.093) 14.112 17.702 ( 2.228 0.475 8.006) 8.323 18.228 ( -0.638 -3.118 -9.007) 9.553 19.234 ( 3.062 -2.325 30.526) 30.767 19.917 ( -8.422 -0.286 20.651) 22.305 20.806 ( 5.371 -0.316 -17.620) 18.423 21.028 ( -2.517 -0.433 -16.621) 16.817 ======================= Grid point 157 (88/115) ======================= q-point: ( 0.40 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -1.962 4.123 10.332) 11.296 1.569 ( -4.143 2.677 2.310) 5.447 1.933 ( -0.047 -0.325 -4.287) 4.300 2.080 ( 3.102 1.166 7.811) 8.485 2.111 ( 1.101 0.231 1.033) 1.527 2.290 ( -5.369 -1.850 -5.009) 7.573 2.521 ( -1.833 -0.695 8.330) 8.558 2.554 ( -4.092 -0.621 7.048) 8.174 2.889 ( -2.110 1.556 -2.759) 3.806 2.925 ( -2.739 -0.191 6.711) 7.251 3.015 ( 4.343 -0.181 1.445) 4.581 3.294 ( 2.379 0.289 -1.676) 2.925 3.339 ( 0.490 -2.627 -4.941) 5.618 3.407 ( 1.754 -0.246 -5.710) 5.978 3.784 ( 0.226 -1.670 2.597) 3.096 4.132 ( 7.316 2.426 4.360) 8.855 4.192 ( -6.816 2.462 4.981) 8.794 4.234 ( 9.183 2.872 3.817) 10.351 4.415 ( 4.140 -0.196 -8.468) 9.428 4.588 ( -6.272 1.874 -0.091) 6.547 4.766 ( -3.166 0.509 7.402) 8.067 4.938 ( -0.471 -1.041 -1.726) 2.070 5.327 ( 0.537 -0.588 1.142) 1.393 5.684 ( -0.349 0.870 5.652) 5.729 5.749 ( 0.174 -4.394 0.398) 4.415 6.340 ( 4.053 2.531 13.039) 13.887 6.619 ( 0.309 -1.065 -1.311) 1.717 6.705 ( -2.533 2.065 15.125) 15.474 7.412 ( -1.312 -2.196 1.101) 2.785 7.594 ( 3.142 -0.672 -10.721) 11.192 7.910 ( 0.015 8.434 -17.346) 19.287 8.100 ( 0.111 -6.886 -10.954) 12.939 9.821 ( -5.203 -1.785 23.605) 24.237 10.765 ( -1.086 0.277 -10.666) 10.725 11.831 ( 0.288 -0.284 5.756) 5.771 12.113 ( 0.070 1.963 -3.467) 3.984 12.558 ( -1.413 -0.499 6.937) 7.097 12.944 ( 1.500 0.264 -4.526) 4.775 13.063 ( -0.294 -3.709 9.608) 10.303 13.629 ( -0.575 0.587 -6.215) 6.269 15.370 ( 1.726 -0.891 11.935) 12.092 16.164 ( 4.277 0.590 -13.792) 14.451 17.735 ( -0.443 0.862 6.485) 6.557 18.190 ( -1.225 -3.051 -8.409) 9.029 19.366 ( 3.426 -4.266 30.097) 30.590 19.755 ( -7.375 1.162 22.709) 23.904 20.886 ( 1.595 1.338 -15.987) 16.122 20.961 ( 1.099 -2.031 -18.509) 18.652 ======================= Grid point 158 (89/115) ======================= q-point: (-0.40 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -5.320 1.300 8.226) 9.882 1.468 ( -2.737 -0.561 7.607) 8.104 1.905 ( -1.939 0.257 -3.830) 4.301 2.112 ( 1.018 4.142 -0.596) 4.306 2.176 ( 2.479 -0.756 1.514) 3.002 2.286 ( 4.897 -2.046 3.760) 6.504 2.488 ( -1.842 1.859 10.208) 10.538 2.530 ( 0.329 -0.365 7.213) 7.230 2.760 ( -7.181 0.779 -3.612) 8.076 2.872 ( -2.821 -0.608 5.131) 5.887 3.109 ( 3.103 -0.012 1.905) 3.641 3.292 ( -3.761 -0.334 -4.015) 5.512 3.389 ( 3.901 -0.875 -5.598) 6.879 3.497 ( 7.644 0.315 -5.387) 9.357 3.709 ( -5.040 -1.404 4.285) 6.762 4.198 ( 0.540 4.416 4.801) 6.546 4.233 ( 2.201 0.554 6.076) 6.486 4.297 ( -5.094 2.819 1.645) 6.050 4.380 ( -1.768 -0.405 -7.472) 7.689 4.596 ( 4.705 3.724 -0.317) 6.009 4.769 ( 3.395 -2.519 5.928) 7.281 4.931 ( 0.923 -0.416 -3.496) 3.640 5.335 ( -0.030 -1.607 -0.685) 1.747 5.641 ( -4.340 -1.130 13.876) 14.583 5.740 ( -0.823 -2.089 -5.538) 5.976 6.397 ( -1.221 1.971 10.985) 11.227 6.608 ( -0.827 1.959 1.814) 2.795 6.708 ( 0.605 0.288 15.278) 15.292 7.391 ( -0.432 -2.881 1.063) 3.101 7.629 ( 0.846 -0.597 -12.155) 12.199 7.888 ( 0.795 7.804 -18.649) 20.231 8.100 ( 1.304 -6.247 -10.101) 11.948 9.773 ( -1.873 -1.276 25.582) 25.682 10.747 ( 0.941 0.365 -9.701) 9.754 11.821 ( -1.834 -0.004 4.920) 5.250 12.097 ( -0.942 1.901 -2.847) 3.551 12.563 ( 0.799 -0.397 7.955) 8.005 12.953 ( -0.010 0.171 -5.278) 5.281 13.055 ( -1.588 -3.204 8.745) 9.448 13.688 ( 5.939 0.493 -6.208) 8.606 15.404 ( -0.460 -1.053 10.596) 10.658 16.253 ( 5.017 1.011 -15.872) 16.677 17.698 ( -3.524 0.594 6.988) 7.848 18.170 ( 0.646 -3.465 -7.862) 8.616 19.353 ( -7.861 -2.902 31.732) 32.820 19.783 ( 6.102 0.344 21.613) 22.461 20.819 ( -3.022 0.392 -15.221) 15.523 21.030 ( 4.974 -1.416 -19.600) 20.271 ======================= Grid point 159 (90/115) ======================= q-point: (-0.20 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.110 2.511 11.072) 11.354 1.461 ( 0.888 -1.966 7.857) 8.148 1.864 ( -0.973 -0.063 0.001) 0.975 2.158 ( 1.268 3.748 1.969) 4.419 2.233 ( 4.088 -3.092 3.302) 6.097 2.391 ( 2.627 0.475 -0.256) 2.681 2.478 ( 0.114 1.984 10.575) 10.760 2.589 ( 3.898 0.581 6.786) 7.847 2.639 ( -3.018 -0.996 -0.430) 3.207 2.811 ( -3.369 -1.373 6.627) 7.560 3.117 ( -2.759 -0.132 0.701) 2.850 3.218 ( -0.793 0.480 -1.082) 1.425 3.443 ( 1.763 -0.309 -5.146) 5.448 3.638 ( 2.252 0.001 -2.617) 3.452 3.651 ( 0.776 -1.504 -0.780) 1.863 4.056 ( -10.186 4.086 0.288) 10.979 4.110 ( -6.922 -1.903 -5.732) 9.187 4.304 ( -3.158 4.877 -4.005) 7.057 4.419 ( 7.290 -1.080 8.838) 11.507 4.695 ( 4.055 3.680 0.405) 5.491 4.862 ( 2.304 -4.283 8.236) 9.565 4.969 ( 2.137 3.330 -1.412) 4.201 5.317 ( -1.127 -2.356 -5.135) 5.761 5.573 ( -3.140 -0.861 15.320) 15.662 5.698 ( -1.712 -1.088 -8.155) 8.404 6.342 ( -4.468 0.295 12.844) 13.602 6.597 ( -0.238 1.451 -0.990) 1.773 6.748 ( 0.571 2.435 17.034) 17.217 7.395 ( 0.635 -3.468 -2.010) 4.059 7.597 ( -1.848 -1.280 -6.070) 6.473 7.899 ( 2.412 7.648 -20.129) 21.668 8.120 ( 1.492 -5.991 -9.480) 11.314 9.816 ( 2.014 -2.142 25.123) 25.294 10.775 ( 2.552 0.200 -9.002) 9.359 11.783 ( -1.896 0.063 4.863) 5.220 12.076 ( -0.423 1.764 -2.733) 3.280 12.602 ( 1.378 -0.278 7.677) 7.805 12.937 ( -0.742 0.805 -4.282) 4.420 13.029 ( -1.742 -2.797 8.808) 9.404 13.805 ( 4.758 0.905 -10.447) 11.515 15.378 ( -3.048 -1.002 10.538) 11.015 16.291 ( 0.161 1.190 -18.085) 18.125 17.636 ( -2.452 -0.062 9.454) 9.767 18.195 ( 2.389 -3.745 -8.146) 9.278 19.229 ( -6.673 -1.041 32.327) 33.025 19.948 ( 4.856 -0.648 19.605) 20.207 20.751 ( -0.977 -0.296 -15.933) 15.966 21.086 ( 2.619 -1.019 -18.829) 19.037 ======================= Grid point 180 (91/115) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.147 0.000 12.511) 12.512 1.422 ( 2.169 0.000 7.860) 8.153 1.788 ( -4.832 0.000 2.935) 5.653 1.927 ( -0.110 0.000 -6.528) 6.529 2.457 ( -2.359 0.000 1.035) 2.576 2.488 ( 5.406 0.000 -1.677) 5.660 2.761 ( -0.772 0.000 3.837) 3.914 2.811 ( 7.778 0.000 0.302) 7.784 2.869 ( -3.482 0.000 1.708) 3.878 2.919 ( -1.519 0.000 -5.176) 5.394 3.098 ( -2.282 0.000 7.615) 7.949 3.247 ( 3.623 0.000 -6.395) 7.350 3.483 ( 1.098 0.000 0.645) 1.273 3.519 ( -0.142 0.000 -2.338) 2.343 3.598 ( 2.391 0.000 4.956) 5.503 3.699 ( -2.609 0.000 -5.138) 5.762 4.139 ( -2.737 0.000 8.928) 9.338 4.300 ( 2.848 0.000 -6.193) 6.817 4.452 ( -2.471 0.000 7.057) 7.477 4.539 ( -2.917 0.000 0.830) 3.033 4.765 ( 0.262 0.000 21.408) 21.410 5.180 ( -0.469 0.000 -19.803) 19.808 5.273 ( -2.116 0.000 1.314) 2.491 5.314 ( 2.846 0.000 -4.942) 5.703 6.058 ( 1.059 0.000 7.976) 8.046 6.058 ( -0.522 0.000 23.559) 23.564 6.233 ( -0.913 0.000 -9.108) 9.154 6.544 ( 1.686 0.000 -24.325) 24.383 7.320 ( -1.502 0.000 15.037) 15.112 7.585 ( 1.161 0.000 -11.120) 11.181 8.087 ( -0.238 0.000 11.641) 11.643 8.291 ( 0.040 0.000 -9.496) 9.496 10.521 ( -1.374 0.000 -0.156) 1.383 10.567 ( 2.312 0.000 -4.840) 5.364 11.943 ( 0.050 0.000 4.225) 4.226 12.009 ( 1.891 0.000 -2.014) 2.763 12.756 ( -0.971 0.000 5.487) 5.572 12.861 ( 2.084 0.000 -5.129) 5.536 13.358 ( -5.009 0.000 1.375) 5.195 13.409 ( 5.722 0.000 -4.179) 7.086 15.659 ( -2.382 0.000 7.864) 8.217 15.835 ( 1.257 0.000 -9.323) 9.407 17.997 ( -0.640 0.000 18.128) 18.140 18.364 ( -0.153 0.000 -18.511) 18.511 19.968 ( 2.074 0.000 25.863) 25.946 20.422 ( -1.502 0.000 -19.664) 19.721 20.637 ( -5.535 0.000 10.224) 11.626 20.847 ( 3.580 0.000 -10.682) 11.266 ======================= Grid point 181 (92/115) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -1.009 0.000 10.555) 10.603 1.471 ( 0.581 0.000 0.625) 0.853 1.702 ( -2.353 0.000 9.353) 9.645 1.913 ( -1.813 0.000 -2.773) 3.313 2.411 ( -1.855 0.000 1.416) 2.333 2.582 ( 1.605 0.000 -5.793) 6.011 2.673 ( -4.319 0.000 0.585) 4.358 2.800 ( -6.967 0.000 -7.256) 10.059 2.810 ( -2.030 0.000 4.794) 5.206 2.978 ( 6.273 0.000 0.688) 6.311 3.050 ( -1.756 0.000 6.941) 7.159 3.261 ( -0.921 0.000 -8.645) 8.694 3.461 ( -4.198 0.000 -1.336) 4.405 3.482 ( -4.906 0.000 -4.604) 6.728 3.686 ( 3.475 0.000 -3.807) 5.155 3.697 ( 5.343 0.000 5.143) 7.416 4.103 ( -1.206 0.000 9.302) 9.380 4.344 ( 1.430 0.000 -6.586) 6.739 4.384 ( -4.196 0.000 8.865) 9.808 4.427 ( -4.729 0.000 4.528) 6.547 4.894 ( 5.387 0.000 19.389) 20.124 5.169 ( 0.593 0.000 -2.932) 2.991 5.285 ( 4.242 0.000 -11.961) 12.691 5.376 ( 3.121 0.000 -4.389) 5.386 6.085 ( 0.257 0.000 6.118) 6.124 6.116 ( 2.604 0.000 19.782) 19.953 6.190 ( -1.941 0.000 -6.172) 6.470 6.565 ( 3.210 0.000 -24.231) 24.443 7.319 ( -0.483 0.000 13.922) 13.931 7.590 ( 0.701 0.000 -9.848) 9.873 8.070 ( -2.738 0.000 11.677) 11.993 8.259 ( -1.491 0.000 -10.102) 10.211 10.419 ( -6.823 0.000 1.095) 6.911 10.548 ( -3.177 0.000 -6.271) 7.030 11.941 ( -0.528 0.000 2.124) 2.189 12.001 ( -1.818 0.000 -2.081) 2.763 12.743 ( -0.739 0.000 5.985) 6.031 12.905 ( 2.161 0.000 -8.088) 8.371 13.297 ( -0.259 0.000 2.121) 2.136 13.562 ( 7.008 0.000 -7.403) 10.194 15.634 ( -0.741 0.000 9.725) 9.753 15.860 ( 2.010 0.000 -9.199) 9.416 18.004 ( -1.186 0.000 19.065) 19.102 18.346 ( 1.104 0.000 -18.346) 18.379 19.986 ( -4.324 0.000 23.350) 23.747 20.314 ( -4.150 0.000 -19.374) 19.813 20.579 ( -0.369 0.000 15.652) 15.657 20.955 ( 6.065 0.000 -10.957) 12.523 ======================= Grid point 182 (93/115) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -1.994 0.000 9.299) 9.511 1.451 ( -1.138 0.000 -2.912) 3.127 1.710 ( 0.532 0.000 10.455) 10.469 1.850 ( -1.632 0.000 -2.161) 2.707 2.386 ( -0.607 0.000 4.009) 4.055 2.539 ( -2.685 0.000 -3.900) 4.735 2.597 ( -3.135 0.000 1.079) 3.316 2.649 ( -4.848 0.000 -4.184) 6.404 2.859 ( 3.707 0.000 8.769) 9.520 3.047 ( 0.496 0.000 4.215) 4.244 3.076 ( 2.141 0.000 -2.197) 3.068 3.216 ( -2.091 0.000 -8.274) 8.534 3.338 ( -4.723 0.000 -4.722) 6.678 3.356 ( -3.556 0.000 -5.528) 6.573 3.760 ( -1.180 0.000 6.724) 6.826 3.800 ( 6.081 0.000 -3.056) 6.806 4.130 ( 2.725 0.000 7.466) 7.948 4.277 ( -3.725 0.000 3.154) 4.881 4.344 ( -4.426 0.000 5.504) 7.063 4.405 ( 3.246 0.000 -6.452) 7.223 5.002 ( 1.967 0.000 19.026) 19.128 5.180 ( 0.344 0.000 5.941) 5.950 5.386 ( 5.276 0.000 -14.182) 15.131 5.416 ( 0.787 0.000 -6.715) 6.761 6.080 ( -1.332 0.000 3.353) 3.608 6.143 ( -2.034 0.000 2.786) 3.450 6.196 ( 2.316 0.000 10.940) 11.183 6.596 ( 2.313 0.000 -21.764) 21.887 7.338 ( 0.281 0.000 13.269) 13.272 7.585 ( 0.064 0.000 -9.177) 9.178 8.018 ( -2.979 0.000 11.503) 11.882 8.222 ( 0.029 0.000 -11.110) 11.110 10.293 ( -4.072 0.000 5.419) 6.779 10.453 ( -3.440 0.000 -8.112) 8.811 11.933 ( -0.403 0.000 1.400) 1.457 11.954 ( -2.013 0.000 0.472) 2.068 12.743 ( -0.170 0.000 7.509) 7.511 12.923 ( 0.627 0.000 -9.386) 9.407 13.350 ( 4.201 0.000 4.630) 6.252 13.612 ( -1.585 0.000 -11.252) 11.363 15.657 ( 1.291 0.000 9.349) 9.437 15.881 ( 0.917 0.000 -10.174) 10.215 17.999 ( -1.757 0.000 19.090) 19.170 18.361 ( 2.558 0.000 -19.163) 19.333 19.887 ( -6.142 0.000 21.883) 22.728 20.236 ( -0.188 0.000 -17.857) 17.858 20.649 ( 3.224 0.000 19.515) 19.780 21.030 ( 2.104 0.000 -13.479) 13.642 ======================= Grid point 183 (94/115) ======================= q-point: (-0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -2.692 0.000 11.727) 12.032 1.421 ( -1.992 0.000 2.566) 3.248 1.756 ( 3.364 0.000 5.085) 6.096 1.887 ( 4.385 0.000 -5.017) 6.663 2.414 ( 2.693 0.000 5.862) 6.451 2.498 ( -4.642 0.000 -3.017) 5.536 2.542 ( 2.299 0.000 5.868) 6.302 2.604 ( 0.510 0.000 -0.998) 1.121 2.936 ( 1.660 0.000 10.794) 10.921 3.031 ( -5.332 0.000 -7.937) 9.561 3.073 ( 1.181 0.000 3.732) 3.915 3.146 ( -1.108 0.000 -2.387) 2.632 3.339 ( 3.995 0.000 -5.038) 6.429 3.362 ( 4.416 0.000 -5.871) 7.346 3.688 ( -5.302 0.000 6.547) 8.425 3.890 ( 1.509 0.000 -4.781) 5.013 4.205 ( -0.612 0.000 7.366) 7.392 4.234 ( -0.421 0.000 -1.573) 1.628 4.283 ( 2.396 0.000 6.562) 6.986 4.462 ( 2.279 0.000 -5.204) 5.681 5.023 ( -2.892 0.000 19.413) 19.627 5.201 ( 0.754 0.000 3.336) 3.421 5.373 ( -3.448 0.000 -10.943) 11.473 5.425 ( -0.228 0.000 -11.532) 11.534 6.048 ( -1.691 0.000 3.690) 4.059 6.109 ( -2.556 0.000 14.310) 14.536 6.238 ( 1.043 0.000 0.325) 1.093 6.594 ( 0.257 0.000 -20.282) 20.284 7.352 ( -1.020 0.000 14.177) 14.213 7.574 ( 0.354 0.000 -10.365) 10.371 8.003 ( 0.352 0.000 11.334) 11.339 8.237 ( 2.568 0.000 -10.886) 11.185 10.301 ( 4.189 0.000 7.961) 8.995 10.419 ( 1.604 0.000 -7.519) 7.688 11.925 ( -0.709 0.000 2.345) 2.450 11.928 ( -0.261 0.000 2.765) 2.777 12.752 ( -0.029 0.000 7.649) 7.649 12.906 ( -1.017 0.000 -8.709) 8.768 13.445 ( 2.842 0.000 5.752) 6.416 13.497 ( -6.186 0.000 -10.500) 12.187 15.693 ( 0.578 0.000 7.538) 7.560 15.868 ( -0.573 0.000 -10.898) 10.913 17.988 ( -1.561 0.000 18.153) 18.220 18.388 ( 2.194 0.000 -19.788) 19.909 19.832 ( -1.590 0.000 23.004) 23.059 20.265 ( 4.969 0.000 -16.456) 17.189 20.725 ( 0.957 0.000 16.999) 17.026 21.000 ( -2.902 0.000 -15.528) 15.797 ======================= Grid point 184 (95/115) ======================= q-point: (-0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 1.768 0.000 13.897) 14.009 1.392 ( -0.615 0.000 6.938) 6.966 1.831 ( 1.275 0.000 3.063) 3.318 1.944 ( 0.870 0.000 -9.792) 9.830 2.423 ( -0.499 0.000 2.815) 2.859 2.478 ( 1.040 0.000 4.162) 4.290 2.661 ( 5.133 0.000 0.145) 5.135 2.664 ( 6.773 0.000 5.328) 8.617 2.933 ( -1.206 0.000 -6.802) 6.908 2.943 ( -2.258 0.000 4.720) 5.232 3.099 ( 0.511 0.000 6.438) 6.458 3.170 ( 3.054 0.000 -3.304) 4.499 3.432 ( 4.231 0.000 -0.674) 4.284 3.475 ( 5.151 0.000 -2.819) 5.872 3.595 ( -3.181 0.000 4.471) 5.487 3.815 ( -6.482 0.000 -6.593) 9.246 4.173 ( -1.631 0.000 9.115) 9.260 4.250 ( 2.152 0.000 -4.475) 4.965 4.435 ( 7.992 0.000 5.925) 9.949 4.477 ( -0.349 0.000 -0.618) 0.710 4.908 ( -10.301 0.000 17.790) 20.557 5.210 ( 0.038 0.000 -6.758) 6.758 5.295 ( -0.892 0.000 -9.431) 9.473 5.356 ( -4.279 0.000 -6.873) 8.096 6.034 ( -0.109 0.000 6.591) 6.592 6.070 ( -3.161 0.000 22.425) 22.646 6.249 ( 0.494 0.000 -7.577) 7.593 6.562 ( -0.095 0.000 -21.919) 21.920 7.337 ( -1.973 0.000 15.272) 15.399 7.575 ( 1.127 0.000 -11.483) 11.539 8.050 ( 1.832 0.000 11.416) 11.562 8.280 ( 2.228 0.000 -9.903) 10.150 10.451 ( 6.869 0.000 4.206) 8.055 10.487 ( 4.822 0.000 -5.634) 7.416 11.932 ( 0.170 0.000 4.329) 4.332 11.946 ( 2.593 0.000 2.005) 3.278 12.760 ( -0.266 0.000 6.584) 6.589 12.863 ( -1.384 0.000 -6.223) 6.375 13.381 ( -2.328 0.000 -6.883) 7.266 13.453 ( -2.938 0.000 3.875) 4.863 15.694 ( -1.444 0.000 6.708) 6.862 15.839 ( -0.335 0.000 -10.407) 10.412 17.987 ( -0.883 0.000 17.566) 17.588 18.390 ( 0.533 0.000 -19.375) 19.383 19.877 ( 2.186 0.000 24.614) 24.711 20.379 ( 6.667 0.000 -16.441) 17.741 20.723 ( -3.137 0.000 12.073) 12.474 20.887 ( -4.465 0.000 -14.927) 15.581 ======================= Grid point 185 (96/115) ======================= q-point: ( 0.00 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -1.232 2.752 11.744) 12.125 1.455 ( 0.566 2.418 5.539) 6.070 1.799 ( -0.141 1.231 4.456) 4.625 1.937 ( -2.726 1.184 -6.421) 7.075 2.484 ( -0.611 2.035 0.819) 2.277 2.492 ( 3.277 0.506 -0.728) 3.395 2.725 ( -1.947 -3.252 3.776) 5.350 2.765 ( 7.211 -3.980 0.349) 8.244 2.866 ( -2.408 -0.193 1.984) 3.126 2.921 ( -0.524 0.030 -4.279) 4.311 3.115 ( -1.630 1.442 6.857) 7.194 3.248 ( 3.434 -0.254 -5.110) 6.161 3.462 ( 3.309 -1.898 2.644) 4.641 3.546 ( -2.965 1.087 -5.095) 5.994 3.604 ( 2.270 1.949 4.608) 5.494 3.706 ( -2.568 0.911 -5.589) 6.218 4.111 ( -1.647 -2.587 8.222) 8.775 4.264 ( 1.610 -4.099 -6.558) 7.900 4.462 ( -1.088 1.906 8.465) 8.745 4.550 ( -4.485 1.420 1.134) 4.839 4.803 ( 1.303 3.231 18.032) 18.366 5.167 ( 0.305 -1.358 -17.415) 17.471 5.259 ( -3.924 -0.859 2.919) 4.966 5.339 ( 3.609 1.679 -6.274) 7.430 5.989 ( 0.663 -0.753 14.492) 14.526 6.218 ( -0.439 -0.291 -7.376) 7.395 6.258 ( -0.630 11.853 13.153) 17.717 6.644 ( 1.585 8.834 -21.655) 23.441 7.280 ( -1.514 -3.624 13.748) 14.298 7.533 ( 1.171 -4.826 -11.107) 12.167 8.061 ( -0.229 -2.523 11.331) 11.610 8.265 ( 0.049 -2.602 -9.614) 9.960 10.489 ( -0.578 -2.605 2.833) 3.891 10.580 ( 1.564 0.838 -6.561) 6.797 11.920 ( 0.923 -2.037 4.013) 4.595 11.982 ( 0.797 -1.929 -1.674) 2.675 12.762 ( -1.069 0.412 5.021) 5.150 12.855 ( 1.691 -0.575 -4.369) 4.720 13.367 ( 1.795 -0.687 1.127) 2.228 13.418 ( -1.115 2.173 -3.910) 4.610 15.648 ( -2.185 -0.945 9.005) 9.314 15.845 ( 0.941 0.844 -10.344) 10.420 17.978 ( -0.994 -1.768 17.250) 17.369 18.329 ( 0.411 -3.316 -17.875) 18.185 19.938 ( 1.670 -2.651 25.976) 26.164 20.371 ( -1.955 -4.087 -14.863) 15.538 20.634 ( -2.911 -0.729 6.798) 7.431 20.845 ( 1.999 -0.418 -11.806) 11.981 ======================= Grid point 186 (97/115) ======================= q-point: ( 0.20 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -1.656 1.329 11.608) 11.800 1.496 ( 2.071 1.784 3.990) 4.837 1.758 ( -2.855 4.795 3.297) 6.481 1.905 ( -1.379 -0.497 -0.794) 1.667 2.444 ( -2.384 2.785 1.180) 3.851 2.551 ( 0.170 -2.777 -4.236) 5.068 2.631 ( -4.004 -3.704 -0.105) 5.455 2.791 ( -3.715 -1.105 1.160) 4.045 2.839 ( -4.596 2.473 -3.653) 6.370 2.946 ( 6.914 -2.516 1.104) 7.439 3.072 ( -2.420 1.823 6.661) 7.317 3.270 ( -0.135 0.521 -8.500) 8.517 3.423 ( -6.912 -3.131 -6.111) 9.743 3.484 ( -2.451 -0.274 1.288) 2.783 3.705 ( 4.894 1.733 -1.032) 5.293 3.733 ( 5.945 3.801 1.637) 7.243 4.094 ( -0.801 -1.037 7.912) 8.019 4.302 ( 2.379 -3.747 -5.105) 6.765 4.380 ( -7.218 -0.114 7.109) 10.132 4.449 ( -2.880 2.397 5.905) 6.993 4.895 ( 2.649 0.084 14.540) 14.780 5.185 ( 0.730 1.536 2.541) 3.057 5.240 ( 4.149 -3.835 -12.661) 13.864 5.420 ( 4.076 3.269 -4.920) 7.177 6.039 ( 1.768 -0.483 10.805) 10.959 6.182 ( -1.356 -0.379 -7.476) 7.608 6.285 ( 0.724 11.495 14.754) 18.717 6.663 ( 2.805 8.668 -21.763) 23.593 7.274 ( -0.605 -3.954 12.705) 13.320 7.539 ( 0.738 -4.759 -9.816) 10.933 8.044 ( -2.684 -2.522 11.338) 11.921 8.233 ( -1.389 -2.474 -10.153) 10.542 10.404 ( -6.435 -1.416 3.294) 7.367 10.555 ( -2.916 0.600 -7.454) 8.027 11.931 ( -0.159 -0.895 1.799) 2.016 11.972 ( -1.247 -2.117 -1.782) 3.035 12.746 ( -0.789 0.207 5.680) 5.739 12.895 ( 2.161 -0.894 -6.470) 6.880 13.336 ( -0.498 3.334 -0.707) 3.444 13.522 ( 5.859 -3.529 -3.979) 7.913 15.628 ( -0.635 -0.478 10.553) 10.583 15.863 ( 1.835 0.208 -9.754) 9.928 17.974 ( -1.533 -2.494 17.685) 17.926 18.313 ( 0.546 -3.274 -17.600) 17.910 19.975 ( -1.982 -0.870 22.346) 22.451 20.331 ( -0.212 0.651 -15.474) 15.490 20.542 ( -3.968 -2.825 13.044) 13.924 20.919 ( 4.706 -3.310 -11.438) 12.804 ======================= Grid point 187 (98/115) ======================= q-point: ( 0.40 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -0.651 2.332 11.937) 12.181 1.520 ( -0.393 4.608 -1.578) 4.887 1.743 ( 0.458 3.097 5.796) 6.587 1.847 ( -1.819 -0.277 -1.216) 2.205 2.401 ( -1.381 1.410 3.112) 3.685 2.514 ( -1.884 -2.286 -3.909) 4.904 2.546 ( -2.975 -4.188 2.103) 5.551 2.667 ( -6.711 1.071 -5.277) 8.604 2.837 ( 2.855 -1.596 8.554) 9.158 3.036 ( -1.041 -0.928 1.871) 2.333 3.073 ( 3.192 0.033 1.121) 3.383 3.251 ( -0.118 2.187 -9.174) 9.432 3.304 ( -1.698 -2.047 -4.561) 5.280 3.383 ( -5.440 1.514 -2.870) 6.334 3.798 ( 0.012 3.664 4.812) 6.048 3.839 ( 4.819 3.880 -2.700) 6.750 4.120 ( 3.408 -0.624 6.855) 7.681 4.242 ( -5.669 -3.757 5.198) 8.559 4.355 ( 0.697 1.341 1.048) 1.839 4.408 ( -0.032 0.519 -3.071) 3.115 4.950 ( 0.871 -4.268 14.688) 15.320 5.192 ( -0.142 -0.272 4.028) 4.040 5.343 ( 4.724 -1.747 -8.931) 10.253 5.478 ( 1.684 4.137 -6.299) 7.722 6.066 ( -0.922 0.052 6.726) 6.789 6.155 ( 0.035 0.813 -4.500) 4.573 6.318 ( 0.129 10.112 14.455) 17.641 6.689 ( 2.024 8.302 -20.218) 21.950 7.291 ( 0.361 -4.238 12.240) 12.958 7.534 ( 0.035 -4.745 -9.377) 10.509 7.995 ( -2.822 -2.327 11.164) 11.748 8.198 ( 0.036 -2.361 -11.142) 11.390 10.285 ( -4.120 -0.708 7.333) 8.441 10.468 ( -2.986 1.282 -9.063) 9.628 11.924 ( -1.017 -0.894 1.856) 2.297 11.943 ( -0.830 -0.621 -0.523) 1.161 12.747 ( -0.128 0.153 7.356) 7.359 12.917 ( 0.741 -0.622 -8.289) 8.346 13.374 ( 3.427 1.967 2.455) 4.652 13.566 ( -1.310 -3.985 -7.676) 8.747 15.652 ( 1.170 -0.397 10.020) 10.096 15.882 ( 1.080 0.147 -10.557) 10.614 17.966 ( -1.488 -2.773 17.331) 17.614 18.309 ( 1.536 -4.660 -17.970) 18.628 19.929 ( -4.471 3.748 21.307) 22.091 20.288 ( -0.212 4.486 -17.842) 18.398 20.567 ( 2.509 -7.499 20.895) 22.341 20.974 ( 1.801 -5.250 -14.701) 15.714 ======================= Grid point 188 (99/115) ======================= q-point: (-0.40 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -1.008 5.337 13.005) 14.093 1.484 ( -2.308 5.032 0.264) 5.542 1.767 ( 1.360 1.005 3.534) 3.917 1.893 ( 5.287 0.339 -4.658) 7.054 2.412 ( 1.989 -0.337 4.895) 5.295 2.480 ( -3.632 -1.629 -0.898) 4.080 2.529 ( 3.442 -0.909 5.569) 6.610 2.575 ( -0.375 -2.401 -1.369) 2.789 2.896 ( 0.934 -3.153 10.456) 10.961 3.000 ( -2.630 -1.268 -3.399) 4.481 3.095 ( 0.049 1.295 0.908) 1.582 3.203 ( -2.971 3.327 -4.939) 6.655 3.332 ( 1.907 -0.587 -5.553) 5.901 3.373 ( 6.857 0.937 -3.120) 7.592 3.717 ( -5.848 3.073 6.422) 9.213 3.925 ( 1.427 3.513 -4.980) 6.259 4.136 ( -4.131 -4.645 5.227) 8.121 4.244 ( 4.990 1.773 5.923) 7.945 4.340 ( 0.854 2.179 -0.964) 2.532 4.444 ( 2.043 -0.961 -3.700) 4.334 4.968 ( -1.729 -4.509 15.538) 16.271 5.190 ( -0.142 -1.910 -1.020) 2.170 5.375 ( -0.969 0.260 -5.432) 5.524 5.460 ( -2.362 3.318 -8.802) 9.699 6.026 ( -3.022 -0.128 7.736) 8.306 6.171 ( 1.454 2.658 -0.481) 3.067 6.320 ( -1.661 8.735 10.979) 14.128 6.685 ( 0.259 8.206 -19.126) 20.814 7.308 ( -0.789 -4.068 13.058) 13.700 7.522 ( 0.422 -4.713 -10.649) 11.654 7.980 ( 0.273 -2.281 10.994) 11.231 8.213 ( 2.532 -2.429 -10.932) 11.481 10.286 ( 3.247 -1.258 9.808) 10.408 10.441 ( 1.954 1.826 -8.412) 8.827 11.896 ( -1.353 -1.492 3.277) 3.847 11.940 ( 0.238 0.291 0.912) 0.986 12.757 ( 0.047 0.255 7.595) 7.600 12.902 ( -1.016 -0.448 -8.135) 8.211 13.428 ( -1.912 -2.166 1.293) 3.165 13.498 ( -0.740 0.636 -5.055) 5.148 15.684 ( 0.243 -0.784 8.286) 8.327 15.876 ( -0.126 0.749 -11.557) 11.582 17.963 ( -0.958 -2.239 16.654) 16.831 18.325 ( 2.073 -5.561 -18.439) 19.370 19.872 ( -3.175 3.505 22.917) 23.400 20.314 ( 4.601 4.225 -16.369) 17.521 20.634 ( 0.356 -8.214 18.218) 19.988 20.955 ( -1.280 -4.383 -16.728) 17.340 ======================= Grid point 189 (100/115) ======================= q-point: (-0.20 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.660 5.527 11.911) 13.148 1.448 ( -0.832 4.547 4.960) 6.780 1.793 ( 0.259 -1.901 1.203) 2.265 1.976 ( 1.640 1.714 -6.670) 7.079 2.431 ( 0.322 0.761 3.858) 3.945 2.481 ( 2.239 0.104 3.004) 3.748 2.614 ( 4.128 -3.110 0.588) 5.201 2.665 ( 6.809 -0.987 5.719) 8.946 2.901 ( -0.720 -2.651 3.318) 4.308 2.941 ( -2.073 -0.354 -3.432) 4.025 3.110 ( 0.698 1.041 4.991) 5.146 3.179 ( 1.876 0.590 -2.154) 2.917 3.386 ( 3.328 -1.995 -2.647) 4.697 3.522 ( 5.725 2.001 -2.813) 6.685 3.617 ( -3.546 2.423 4.622) 6.309 3.832 ( -7.302 1.503 -5.988) 9.562 4.119 ( 0.100 -2.844 7.731) 8.238 4.263 ( -0.606 -0.761 -3.978) 4.095 4.453 ( 3.085 -1.280 -0.597) 3.393 4.482 ( 5.103 3.749 5.450) 8.355 4.892 ( -7.435 -1.268 14.235) 16.110 5.187 ( 0.173 -2.085 -5.906) 6.266 5.321 ( -1.542 1.311 -7.498) 7.766 5.366 ( -5.052 1.535 -5.301) 7.482 5.983 ( -1.874 -0.684 11.868) 12.035 6.204 ( 1.340 4.016 2.081) 4.717 6.286 ( -2.331 7.800 6.265) 10.272 6.657 ( 0.069 8.518 -20.160) 21.885 7.296 ( -1.758 -3.725 13.942) 14.537 7.524 ( 1.076 -4.727 -11.569) 12.544 8.025 ( 1.801 -2.471 11.069) 11.484 8.254 ( 2.166 -2.540 -9.981) 10.525 10.414 ( 5.938 -2.681 6.195) 8.991 10.514 ( 4.883 1.650 -6.361) 8.187 11.892 ( 0.603 -2.403 4.342) 4.999 11.955 ( 1.164 -0.005 1.164) 1.646 12.767 ( -0.163 0.422 6.404) 6.420 12.860 ( -1.402 -0.321 -5.858) 6.031 13.351 ( -2.117 -2.177 -1.628) 3.445 13.488 ( -2.133 2.533 -1.113) 3.494 15.680 ( -1.576 -1.197 7.652) 7.903 15.854 ( -0.219 1.267 -11.384) 11.457 17.970 ( -0.630 -1.617 16.599) 16.689 18.337 ( 1.347 -4.741 -18.379) 19.029 19.873 ( 0.275 -0.183 24.533) 24.536 20.394 ( 3.267 0.760 -15.661) 16.016 20.637 ( -0.918 -6.534 11.220) 13.016 20.888 ( -2.595 -0.975 -14.257) 14.524 ======================= Grid point 190 (101/115) ======================= q-point: ( 0.00 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -2.713 5.696 8.654) 10.709 1.499 ( -0.641 1.951 5.017) 5.421 1.847 ( 2.638 3.329 5.034) 6.586 1.979 ( -3.321 2.715 -6.563) 7.840 2.474 ( 1.032 -2.585 1.952) 3.399 2.529 ( 1.176 0.610 -1.637) 2.106 2.643 ( -4.944 -3.636 4.999) 7.915 2.682 ( 7.992 -3.013 0.629) 8.564 2.859 ( -0.860 -0.714 2.745) 2.964 2.916 ( 0.963 -0.654 -2.524) 2.780 3.151 ( -0.675 2.094 5.177) 5.625 3.235 ( 3.070 -0.675 -0.843) 3.254 3.416 ( 2.832 -2.251 1.153) 3.797 3.527 ( -5.301 -2.304 -7.323) 9.329 3.698 ( 2.656 6.133 2.337) 7.080 3.744 ( -1.970 2.484 -2.127) 3.817 4.047 ( -2.667 -3.142 4.035) 5.768 4.143 ( 2.038 -6.864 -4.687) 8.558 4.538 ( 0.729 5.047 7.038) 8.691 4.608 ( -5.857 4.137 1.649) 7.358 4.878 ( 2.652 3.710 12.103) 12.934 5.116 ( 0.370 -3.617 -9.602) 10.267 5.249 ( -4.980 -0.238 1.773) 5.291 5.368 ( 4.127 1.169 -8.415) 9.445 5.998 ( 0.794 0.995 13.723) 13.781 6.219 ( -0.980 1.078 -8.096) 8.226 6.535 ( -0.501 13.608 14.686) 20.028 6.849 ( 0.754 8.768 -12.813) 15.544 7.206 ( -0.853 -1.726 5.398) 5.731 7.403 ( 1.111 -7.276 -11.155) 13.364 7.982 ( -0.219 -5.119 10.561) 11.739 8.185 ( 0.167 -5.139 -9.959) 11.208 10.423 ( -0.218 -3.658 8.557) 9.309 10.593 ( 1.207 0.420 -9.023) 9.113 11.879 ( 1.399 -1.434 4.452) 4.882 11.955 ( -0.103 -0.464 -2.721) 2.762 12.764 ( -1.122 -0.361 4.527) 4.678 12.842 ( 1.056 -0.541 -3.529) 3.723 13.332 ( 2.975 -2.055 6.393) 7.345 13.483 ( -2.807 3.198 -8.324) 9.349 15.625 ( -1.756 -1.161 11.380) 11.573 15.865 ( 0.200 1.066 -12.504) 12.551 17.930 ( -1.018 -2.648 14.822) 15.091 18.235 ( 0.976 -5.550 -15.624) 16.609 19.874 ( 0.503 -3.158 26.625) 26.817 20.291 ( -1.175 -2.997 -9.839) 10.352 20.595 ( -0.751 -3.099 3.712) 4.893 20.822 ( 0.570 -1.841 -14.043) 14.175 ======================= Grid point 191 (102/115) ======================= q-point: ( 0.20 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -1.137 6.391 11.879) 13.537 1.528 ( 2.247 1.361 6.273) 6.801 1.871 ( -2.193 5.579 -2.227) 6.395 1.903 ( -1.824 0.508 0.204) 1.905 2.456 ( -2.992 -4.575 0.401) 5.481 2.522 ( -1.031 2.489 -0.968) 2.863 2.533 ( -4.784 -5.472 -0.707) 7.303 2.769 ( -2.018 -0.556 2.089) 2.957 2.871 ( -1.080 -1.986 0.265) 2.276 2.909 ( 4.113 1.231 -4.013) 5.877 3.116 ( -3.095 2.294 6.563) 7.610 3.270 ( 0.775 -0.612 -6.342) 6.419 3.352 ( -7.662 -3.284 -5.749) 10.126 3.464 ( -0.049 -1.647 2.787) 3.238 3.759 ( 5.277 3.067 -0.960) 6.178 3.841 ( 7.285 6.178 1.126) 9.618 4.045 ( 1.877 -3.604 4.810) 6.296 4.219 ( 3.755 -3.903 -4.108) 6.798 4.405 ( -10.205 3.183 5.924) 12.222 4.524 ( -2.813 4.662 6.610) 8.564 4.899 ( -2.560 0.264 6.741) 7.216 5.126 ( 0.179 -5.932 -6.030) 8.461 5.245 ( 5.232 3.111 2.548) 6.599 5.476 ( 5.471 1.715 -6.357) 8.561 6.052 ( 1.964 1.141 11.197) 11.425 6.189 ( -0.542 1.513 -6.513) 6.708 6.549 ( -0.157 13.227 14.006) 19.265 6.860 ( 1.927 8.021 -12.454) 14.938 7.193 ( -0.787 -1.971 4.205) 4.710 7.411 ( 0.932 -7.062 -9.949) 12.236 7.966 ( -2.489 -5.018 10.488) 11.890 8.157 ( -1.139 -4.891 -10.440) 11.585 10.365 ( -5.368 -2.238 8.347) 10.173 10.567 ( -2.219 0.490 -9.763) 10.024 11.909 ( 0.624 -0.979 2.954) 3.175 11.946 ( -0.139 -0.011 -3.404) 3.406 12.744 ( -0.988 -0.493 5.308) 5.422 12.873 ( 1.876 -1.193 -4.519) 5.037 13.394 ( 0.298 0.182 0.280) 0.448 13.451 ( 2.102 -1.248 -2.295) 3.353 15.618 ( -0.334 -0.446 12.516) 12.528 15.867 ( 1.437 0.161 -11.032) 11.126 17.921 ( -1.633 -2.403 14.273) 14.565 18.218 ( -0.323 -5.537 -15.298) 16.273 19.951 ( 2.754 -1.792 23.350) 23.580 20.306 ( 3.239 -2.613 -3.152) 5.221 20.502 ( -7.052 -1.000 0.817) 7.169 20.830 ( 1.424 -4.949 -13.187) 14.157 ======================= Grid point 192 (103/115) ======================= q-point: ( 0.40 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.893 7.130 13.248) 15.071 1.585 ( 1.479 1.365 3.557) 4.087 1.830 ( -2.459 4.016 -0.819) 4.780 1.845 ( -0.564 1.107 -3.633) 3.840 2.390 ( -2.721 -4.780 1.431) 5.684 2.452 ( -1.913 -3.728 -2.234) 4.749 2.494 ( -1.058 1.782 2.712) 3.413 2.677 ( -7.124 -0.123 -4.729) 8.552 2.822 ( 0.414 0.529 7.764) 7.793 3.007 ( 0.699 -1.541 -3.311) 3.718 3.086 ( 0.697 1.015 7.443) 7.544 3.262 ( 1.343 -1.486 -3.975) 4.451 3.276 ( 1.253 -0.213 -7.201) 7.312 3.402 ( -5.500 -0.004 -2.113) 5.891 3.898 ( 5.277 5.329 0.759) 7.538 3.964 ( 1.910 7.997 0.112) 8.222 4.105 ( 2.451 -2.376 4.831) 5.916 4.160 ( -3.998 -1.484 3.880) 5.766 4.371 ( 4.146 0.148 -1.827) 4.533 4.448 ( -4.587 3.148 2.189) 5.978 4.859 ( -1.148 -4.200 9.394) 10.353 5.119 ( -0.141 -5.961 -8.295) 10.216 5.362 ( 3.757 2.683 6.060) 7.618 5.552 ( 1.955 2.478 -6.204) 6.961 6.082 ( -1.011 1.074 8.741) 8.865 6.189 ( 1.453 2.775 -5.221) 6.089 6.560 ( -0.893 12.499 14.935) 19.496 6.886 ( 1.745 8.632 -13.444) 16.072 7.194 ( 0.322 -3.522 5.552) 6.583 7.408 ( 0.129 -6.786 -10.249) 12.292 7.922 ( -2.470 -4.673 10.272) 11.552 8.125 ( 0.019 -4.735 -11.283) 12.236 10.268 ( -3.964 -0.880 11.526) 12.221 10.498 ( -1.984 1.500 -10.821) 11.103 11.908 ( -1.073 -0.258 2.723) 2.938 11.945 ( 0.393 0.945 -2.605) 2.799 12.742 ( -0.141 -0.774 7.017) 7.061 12.895 ( 0.760 -1.482 -6.750) 6.953 13.401 ( 0.317 -0.671 2.124) 2.250 13.484 ( 0.878 -2.413 -3.606) 4.427 15.644 ( 0.800 -0.351 11.667) 11.700 15.886 ( 1.616 0.236 -11.448) 11.564 17.908 ( -1.235 -2.395 13.356) 13.625 18.192 ( 0.229 -6.114 -14.946) 16.150 20.018 ( -0.726 4.210 20.405) 20.848 20.360 ( -3.132 -8.249 16.718) 18.904 20.402 ( 3.469 2.522 -11.019) 11.824 20.831 ( 0.746 -8.132 -17.433) 19.251 ======================= Grid point 193 (104/115) ======================= q-point: (-0.40 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.585 7.521 11.607) 13.843 1.575 ( -2.238 2.907 1.805) 4.088 1.790 ( -0.364 1.121 0.580) 1.313 1.906 ( 5.462 1.462 -6.281) 8.451 2.379 ( 1.492 -3.234 4.579) 5.801 2.423 ( -0.121 -3.782 -2.151) 4.353 2.527 ( 1.670 1.223 6.319) 6.649 2.550 ( -1.175 0.609 0.492) 1.412 2.842 ( -0.706 -1.804 9.356) 9.554 2.985 ( -1.384 -0.426 -1.856) 2.354 3.110 ( 0.999 0.331 1.760) 2.051 3.246 ( -5.545 0.715 -4.816) 7.379 3.316 ( 1.873 -0.990 -6.367) 6.710 3.390 ( 8.299 0.517 -1.710) 8.489 3.818 ( -7.666 6.010 5.878) 11.377 4.020 ( -3.665 3.462 -2.856) 5.794 4.075 ( 1.684 1.700 5.086) 5.621 4.277 ( 8.517 -1.059 -2.220) 8.865 4.324 ( -5.700 -0.501 -0.473) 5.741 4.474 ( 4.380 3.159 0.546) 5.428 4.874 ( 0.424 -4.080 10.395) 11.175 5.103 ( 0.356 -6.098 -9.545) 11.332 5.398 ( -1.446 1.454 5.610) 5.973 5.530 ( -3.100 2.921 -7.118) 8.295 6.042 ( -3.235 1.173 9.231) 9.852 6.223 ( 1.859 3.023 -5.104) 6.216 6.550 ( -1.905 12.305 15.881) 20.180 6.886 ( 0.137 9.515 -14.067) 16.984 7.210 ( -0.009 -3.981 7.105) 8.144 7.398 ( 0.571 -6.790 -11.701) 13.540 7.909 ( 0.142 -4.554 10.193) 11.165 8.136 ( 2.341 -4.966 -11.050) 12.339 10.258 ( 1.617 -1.279 13.726) 13.880 10.482 ( 2.123 2.024 -10.121) 10.537 11.879 ( -1.791 -0.043 3.523) 3.952 11.951 ( 0.322 1.048 -1.232) 1.649 12.754 ( 0.233 -0.733 7.319) 7.359 12.884 ( -0.803 -1.306 -7.220) 7.381 13.366 ( -3.617 -3.273 3.868) 6.225 13.519 ( 2.582 1.005 -5.265) 5.950 15.665 ( -0.507 -0.996 9.955) 10.018 15.897 ( 0.882 1.237 -13.006) 13.094 17.908 ( -0.459 -2.707 13.334) 13.614 18.193 ( 1.828 -6.450 -15.046) 16.472 19.956 ( -6.405 4.058 23.177) 24.386 20.399 ( 5.232 -0.506 -3.918) 6.556 20.436 ( -1.205 -5.977 8.234) 10.246 20.828 ( 1.641 -7.489 -19.664) 21.106 ======================= Grid point 194 (105/115) ======================= q-point: (-0.20 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -1.224 6.828 8.148) 10.701 1.528 ( -2.040 2.370 3.463) 4.666 1.799 ( 1.070 2.691 1.759) 3.388 2.001 ( 2.700 1.166 -5.896) 6.589 2.434 ( 1.995 -1.853 5.126) 5.804 2.466 ( 3.927 -1.985 0.245) 4.407 2.544 ( 3.904 -2.437 -1.026) 4.715 2.653 ( 3.790 0.554 10.056) 10.761 2.840 ( 0.463 -2.995 5.998) 6.720 2.930 ( -2.769 -0.685 -3.094) 4.209 3.139 ( 1.122 1.724 2.213) 3.021 3.179 ( 0.514 -0.648 1.121) 1.393 3.361 ( 2.693 -0.801 -5.371) 6.062 3.541 ( 4.752 0.053 -4.446) 6.508 3.696 ( -3.592 4.665 3.998) 7.117 3.870 ( -7.736 2.584 -0.867) 8.202 4.100 ( -1.365 0.745 3.512) 3.841 4.187 ( -5.089 -5.942 -5.908) 9.803 4.459 ( 6.455 2.324 1.563) 7.037 4.575 ( 5.157 4.742 3.670) 7.909 4.872 ( -1.968 -0.388 7.923) 8.173 5.120 ( 1.651 -4.446 -6.762) 8.260 5.329 ( -4.029 -0.306 0.362) 4.057 5.419 ( -5.662 2.979 -5.991) 8.765 5.995 ( -2.118 1.117 11.816) 12.056 6.239 ( 0.310 1.842 -6.783) 7.035 6.534 ( -1.485 13.163 15.908) 20.701 6.863 ( -0.208 9.475 -13.714) 16.670 7.212 ( -0.574 -2.897 6.695) 7.318 7.398 ( 0.865 -6.970 -11.953) 13.864 7.948 ( 1.639 -4.911 10.339) 11.562 8.174 ( 2.080 -5.192 -10.222) 11.652 10.353 ( 4.419 -3.057 11.508) 12.701 10.545 ( 4.048 1.262 -8.747) 9.721 11.857 ( -0.365 -0.654 4.579) 4.640 11.955 ( 0.257 0.347 -1.045) 1.131 12.767 ( 0.034 -0.524 5.997) 6.020 12.851 ( -1.091 -0.581 -5.328) 5.470 13.307 ( -1.561 -1.914 4.793) 5.392 13.537 ( -0.595 2.010 -6.701) 7.021 15.651 ( -1.820 -1.463 9.683) 9.960 15.886 ( -0.101 1.745 -13.573) 13.685 17.922 ( -0.242 -2.887 14.252) 14.544 18.219 ( 2.294 -6.105 -15.479) 16.797 19.872 ( -3.852 -0.039 25.534) 25.823 20.366 ( -3.840 -3.810 -7.293) 9.080 20.529 ( 5.231 -3.060 4.520) 7.560 20.835 ( 0.890 -3.870 -16.299) 16.775 ======================= Grid point 195 (106/115) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.009 3.301 7.633) 8.317 1.584 ( -1.278 5.752 4.848) 7.630 1.914 ( 1.061 2.618 3.708) 4.662 2.042 ( -1.852 3.377 -6.226) 7.321 2.374 ( -0.702 -6.265 3.009) 6.985 2.459 ( 1.495 -5.949 -3.447) 7.036 2.638 ( -4.588 1.590 4.841) 6.857 2.665 ( 6.880 1.515 1.464) 7.196 2.832 ( -0.223 -1.691 3.423) 3.825 2.890 ( 1.801 -1.723 -0.702) 2.590 3.198 ( -0.109 2.293 4.440) 4.999 3.226 ( 3.285 -0.423 3.649) 4.928 3.373 ( 1.876 -1.903 -2.193) 3.457 3.472 ( -7.062 -2.708 -8.637) 11.481 3.775 ( 0.968 0.894 4.920) 5.093 3.829 ( -1.453 4.997 0.328) 5.215 4.001 ( -1.606 -2.849 -2.822) 4.319 4.017 ( 1.737 -2.693 -4.431) 5.468 4.650 ( 1.236 5.296 5.123) 7.472 4.702 ( -4.102 4.477 1.706) 6.307 4.946 ( 2.349 2.652 5.336) 6.405 5.035 ( -1.263 -3.701 -2.849) 4.839 5.241 ( -1.203 -0.607 1.943) 2.364 5.391 ( 1.721 1.141 -10.060) 10.270 6.012 ( 0.670 0.234 16.562) 16.577 6.271 ( -0.941 3.966 -8.034) 9.009 6.742 ( -1.262 2.983 15.523) 15.857 6.939 ( -0.851 3.920 6.114) 7.312 7.235 ( 0.069 -4.377 -12.240) 12.999 7.319 ( 2.113 7.299 -13.887) 15.830 7.857 ( -0.198 -6.737 9.980) 12.042 8.061 ( 0.355 -6.593 -10.391) 12.311 10.349 ( -0.193 -3.290 14.253) 14.629 10.597 ( 0.978 -0.005 -11.159) 11.202 11.871 ( 0.885 0.513 5.106) 5.207 11.966 ( 0.005 1.371 -4.109) 4.332 12.748 ( -1.007 -1.007 4.642) 4.856 12.833 ( 0.629 -0.349 -3.969) 4.033 13.294 ( 1.337 -1.484 11.486) 11.659 13.534 ( -1.882 1.679 -12.159) 12.417 15.605 ( -1.257 -0.813 13.461) 13.544 15.885 ( -0.664 0.783 -14.534) 14.570 17.877 ( -0.249 -2.338 11.970) 12.199 18.120 ( 0.907 -5.139 -12.316) 13.376 19.819 ( -1.168 -2.061 28.012) 28.112 20.263 ( 0.165 0.388 -8.344) 8.355 20.511 ( -0.303 -4.867 2.627) 5.539 20.774 ( 0.557 -2.484 -16.134) 16.334 ======================= Grid point 196 (107/115) ======================= q-point: ( 0.20 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.482 2.239 4.024) 4.630 1.582 ( 0.124 7.817 9.355) 12.192 1.915 ( -1.933 0.812 2.355) 3.154 1.982 ( -2.211 4.747 -5.682) 7.727 2.330 ( -3.387 -6.510 2.554) 7.770 2.421 ( -3.306 -5.458 -1.947) 6.671 2.578 ( -1.462 2.635 0.323) 3.030 2.765 ( -4.201 -1.460 1.844) 4.814 2.818 ( 5.648 -0.514 0.595) 5.702 2.936 ( 1.430 0.280 -2.740) 3.104 3.162 ( -3.616 1.896 6.602) 7.763 3.254 ( -1.058 -0.471 -3.384) 3.577 3.296 ( -5.567 -2.093 -6.635) 8.910 3.420 ( 0.892 -2.588 3.853) 4.726 3.795 ( 4.891 -0.159 2.351) 5.429 3.956 ( 7.179 3.490 1.560) 8.133 4.002 ( 4.406 1.378 -0.742) 4.675 4.148 ( 7.486 -2.845 -3.568) 8.768 4.497 ( -11.787 4.923 5.820) 14.036 4.633 ( -3.986 5.617 3.167) 7.581 4.895 ( -6.558 -0.931 2.729) 7.163 5.012 ( -0.179 -4.506 -5.918) 7.440 5.308 ( 5.728 2.693 5.914) 8.662 5.486 ( 5.913 -0.497 -7.866) 9.854 6.068 ( 1.719 0.248 14.918) 15.019 6.252 ( 0.403 4.506 -7.040) 8.369 6.751 ( 0.244 2.246 13.960) 14.141 6.930 ( -0.818 3.856 8.820) 9.660 7.219 ( 0.267 -2.748 -13.959) 14.230 7.337 ( 1.180 5.863 -13.444) 14.714 7.845 ( -2.034 -6.375 9.711) 11.794 8.038 ( -0.836 -6.411 -10.872) 12.649 10.319 ( -3.949 -2.077 13.739) 14.445 10.573 ( -1.447 0.093 -11.877) 11.965 11.903 ( 1.115 0.385 4.137) 4.302 11.969 ( 0.793 1.892 -4.806) 5.226 12.726 ( -1.326 -1.133 5.361) 5.638 12.848 ( 1.073 -1.136 -4.324) 4.597 13.341 ( 0.826 -2.906 10.868) 11.280 13.479 ( -1.046 1.604 -9.885) 10.068 15.612 ( 0.072 -0.122 14.591) 14.591 15.869 ( 1.076 0.010 -12.407) 12.453 17.882 ( -0.775 -1.388 10.453) 10.573 18.106 ( -0.428 -4.814 -12.182) 13.106 19.892 ( 4.200 -3.559 26.662) 27.224 20.273 ( -0.260 0.060 3.608) 3.618 20.470 ( -1.852 -2.532 -7.402) 8.039 20.737 ( -1.798 -3.629 -15.749) 16.261 ======================= Grid point 197 (108/115) ======================= q-point: ( 0.40 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.672 2.911 5.234) 6.026 1.594 ( -0.235 2.383 6.591) 7.012 1.853 ( -2.766 1.823 0.468) 3.346 1.938 ( -0.874 4.548 -7.415) 8.742 2.278 ( -0.856 -4.613 4.571) 6.550 2.368 ( -1.488 -4.330 -1.112) 4.711 2.556 ( -0.514 3.002 0.717) 3.129 2.668 ( -5.107 -0.511 -0.818) 5.198 2.852 ( -1.296 1.961 5.394) 5.884 2.984 ( 1.878 -0.745 -4.034) 4.511 3.105 ( -1.702 0.678 9.408) 9.585 3.234 ( 3.276 -1.361 -2.133) 4.139 3.267 ( 1.423 -0.259 -7.925) 8.056 3.380 ( -4.932 -1.958 -1.287) 5.460 3.944 ( 5.111 -2.183 6.447) 8.512 4.073 ( 4.864 1.724 -2.751) 5.848 4.135 ( 3.406 7.597 0.508) 8.342 4.202 ( -2.095 3.928 -0.469) 4.477 4.379 ( 2.266 0.897 3.662) 4.399 4.514 ( -5.941 2.863 0.199) 6.598 4.788 ( -2.516 -2.439 4.659) 5.830 4.989 ( -1.096 -6.159 -9.290) 11.200 5.413 ( 2.240 1.801 8.898) 9.350 5.575 ( 2.814 -0.022 -6.480) 7.064 6.094 ( -1.456 -0.046 13.501) 13.579 6.273 ( 2.199 5.225 -6.648) 8.738 6.776 ( -0.415 5.190 14.695) 15.590 6.941 ( 0.732 0.466 9.357) 9.397 7.211 ( 1.035 -0.634 -14.688) 14.738 7.327 ( -0.305 3.896 -13.758) 14.303 7.811 ( -1.977 -5.753 9.174) 11.008 8.010 ( 0.030 -6.161 -11.338) 12.904 10.251 ( -3.510 -0.676 15.620) 16.024 10.524 ( -0.937 0.963 -12.196) 12.269 11.917 ( -0.526 0.930 3.658) 3.811 11.981 ( 0.804 2.353 -4.200) 4.881 12.716 ( -0.346 -1.541 6.657) 6.842 12.858 ( 0.457 -1.929 -6.243) 6.550 13.345 ( -1.638 -3.109 9.484) 10.114 13.479 ( 2.082 0.440 -7.373) 7.674 15.639 ( 0.266 -0.082 13.514) 13.517 15.892 ( 2.445 0.270 -12.475) 12.716 17.875 ( -1.108 -0.838 9.356) 9.459 18.080 ( -0.146 -4.463 -11.340) 12.188 20.054 ( 6.898 -3.149 23.324) 24.526 20.188 ( -8.863 -3.291 23.546) 25.373 20.483 ( 3.769 2.863 -19.516) 20.082 20.667 ( -1.552 -6.942 -19.698) 20.943 ======================= Grid point 198 (109/115) ======================= q-point: (-0.40 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -1.791 0.243 5.594) 5.879 1.606 ( -0.008 0.837 5.672) 5.733 1.829 ( 0.476 3.094 1.001) 3.287 1.963 ( 4.422 3.707 -7.129) 9.172 2.301 ( 1.199 -3.472 4.595) 5.883 2.351 ( 0.859 -2.784 -1.935) 3.497 2.567 ( -2.464 2.185 1.153) 3.489 2.587 ( 2.518 2.348 4.378) 5.570 2.819 ( -2.751 -0.619 8.895) 9.331 2.979 ( -1.535 -0.163 -0.101) 1.547 3.121 ( 1.957 0.850 2.844) 3.555 3.233 ( -6.425 -1.580 -2.683) 7.140 3.295 ( 2.690 -1.043 -7.443) 7.983 3.394 ( 8.677 -0.035 -3.096) 9.213 3.881 ( -7.679 -0.263 8.487) 11.448 4.109 ( -4.578 7.597 2.119) 9.119 4.179 ( -3.779 -1.608 -7.687) 8.715 4.217 ( 4.569 4.347 -4.637) 7.827 4.367 ( 0.855 2.492 6.756) 7.252 4.534 ( 5.662 2.315 -0.878) 6.180 4.809 ( 2.923 -2.175 5.299) 6.431 4.965 ( 1.076 -6.840 -9.974) 12.142 5.415 ( -3.181 0.094 8.034) 8.642 5.574 ( -2.157 1.435 -6.004) 6.539 6.055 ( -3.420 -0.124 13.841) 14.258 6.306 ( 1.290 5.028 -6.871) 8.611 6.771 ( -1.827 6.660 16.636) 18.012 6.963 ( -0.300 -0.194 6.780) 6.789 7.226 ( 2.060 -0.449 -13.511) 13.675 7.299 ( -0.028 3.283 -14.293) 14.666 7.800 ( -0.065 -5.641 9.189) 10.782 8.017 ( 1.997 -6.302 -11.015) 12.846 10.236 ( 0.133 -0.868 17.213) 17.235 10.518 ( 2.020 1.365 -11.423) 11.680 11.894 ( -1.841 1.308 4.160) 4.733 11.986 ( 0.049 2.189 -3.074) 3.775 12.728 ( 0.476 -1.529 6.770) 6.957 12.851 ( -0.189 -1.771 -6.823) 7.052 13.308 ( -2.698 -2.233 9.039) 9.694 13.531 ( 3.204 0.110 -8.289) 8.888 15.647 ( -1.279 -0.701 11.619) 11.710 15.923 ( 1.881 1.207 -14.498) 14.670 17.863 ( -1.069 -1.479 10.038) 10.202 18.079 ( 1.489 -4.495 -10.813) 11.804 20.007 ( -9.734 -0.099 25.820) 27.594 20.236 ( 5.615 -5.623 20.836) 22.300 20.477 ( -1.578 1.253 -17.341) 17.458 20.678 ( 5.025 -5.996 -22.260) 23.595 ======================= Grid point 199 (110/115) ======================= q-point: (-0.20 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.910 0.388 5.651) 5.737 1.605 ( -0.999 3.473 5.879) 6.901 1.870 ( 2.457 3.282 2.934) 5.041 2.047 ( 2.658 3.530 -6.649) 7.983 2.343 ( 2.870 -5.633 1.670) 6.539 2.398 ( 2.953 -3.536 -0.970) 4.707 2.558 ( 2.228 2.434 1.909) 3.812 2.683 ( 2.477 1.990 9.994) 10.487 2.783 ( -0.139 -2.445 4.613) 5.223 2.915 ( -3.417 -0.696 0.350) 3.505 3.156 ( 0.686 -1.446 2.522) 2.987 3.179 ( 1.797 1.915 1.455) 3.002 3.342 ( 2.231 -1.058 -6.494) 6.947 3.533 ( 3.322 -0.734 -6.061) 6.950 3.762 ( -3.293 1.479 5.437) 6.526 3.962 ( -7.575 4.552 0.746) 8.870 4.050 ( -5.812 -4.187 -5.987) 9.336 4.140 ( -7.148 1.582 -2.168) 7.635 4.532 ( 8.723 4.079 3.514) 10.251 4.659 ( 5.385 3.039 1.929) 6.478 4.880 ( 2.699 1.093 2.584) 3.893 5.018 ( 3.881 -4.940 -6.332) 8.920 5.314 ( -6.017 -1.023 4.401) 7.525 5.475 ( -5.630 2.368 -6.307) 8.780 6.009 ( -2.377 0.051 15.384) 15.567 6.302 ( -0.585 4.271 -7.481) 8.634 6.754 ( -1.839 5.387 16.882) 17.816 6.951 ( -1.110 1.653 4.844) 5.237 7.244 ( 0.911 -3.242 -12.081) 12.541 7.296 ( 1.615 6.119 -14.214) 15.560 7.829 ( 1.142 -6.351 9.749) 11.691 8.049 ( 1.996 -6.569 -10.453) 12.506 10.295 ( 2.470 -2.443 16.245) 16.613 10.564 ( 3.141 0.672 -10.671) 11.144 11.865 ( -1.079 1.148 4.974) 5.218 11.977 ( -0.398 1.623 -2.916) 3.361 12.748 ( 0.300 -1.198 5.591) 5.726 12.836 ( -0.210 -0.774 -5.467) 5.526 13.275 ( -1.148 -1.168 9.957) 10.091 13.565 ( 0.817 0.709 -10.923) 10.976 15.624 ( -2.041 -1.079 11.527) 11.756 15.920 ( -0.173 1.483 -15.768) 15.838 17.864 ( -0.301 -2.416 11.636) 11.888 18.103 ( 1.978 -4.901 -11.356) 12.526 19.865 ( -6.566 -0.766 27.779) 28.554 20.295 ( -1.502 -1.830 0.458) 2.411 20.472 ( 2.957 -3.450 -3.693) 5.856 20.753 ( 3.755 -3.507 -18.423) 19.126 ======================= Grid point 200 (111/115) ======================= q-point: ( 0.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.805 3.444 6.826) 7.687 1.662 ( 2.049 1.082 4.236) 4.828 1.947 ( -0.321 0.752 6.128) 6.182 2.119 ( -1.902 3.917 -7.842) 8.970 2.249 ( -0.950 -5.272 2.524) 5.921 2.351 ( 0.528 -3.482 -4.356) 5.602 2.657 ( -0.457 0.435 4.755) 4.797 2.729 ( 1.921 3.483 0.612) 4.025 2.794 ( 2.091 -2.073 4.113) 5.058 2.859 ( -0.640 -0.981 1.289) 1.742 3.214 ( 4.375 -0.559 6.904) 8.192 3.235 ( 0.659 1.050 5.139) 5.287 3.343 ( 0.288 -0.913 -5.480) 5.563 3.427 ( -7.843 -1.323 -9.974) 12.757 3.780 ( -2.122 -0.053 8.858) 9.109 3.889 ( 1.117 1.095 1.573) 2.218 3.928 ( 4.027 -2.108 -4.416) 6.337 4.041 ( -3.813 1.714 -10.133) 10.962 4.729 ( -0.278 1.908 5.545) 5.871 4.773 ( 0.600 2.020 0.583) 2.186 4.975 ( -0.911 -0.379 0.204) 1.008 4.989 ( -0.899 0.027 0.279) 0.942 5.229 ( 2.057 -0.417 4.460) 4.929 5.411 ( -0.485 0.622 -11.173) 11.201 6.011 ( 0.541 -0.174 20.939) 20.947 6.364 ( -0.499 3.963 -12.882) 13.487 6.681 ( -2.739 -4.340 19.292) 19.963 7.059 ( 0.982 4.107 -5.553) 6.976 7.146 ( -1.007 -2.028 3.788) 4.413 7.495 ( 2.461 6.248 -20.333) 21.413 7.735 ( -0.136 -3.985 9.807) 10.586 7.936 ( 0.238 -4.510 -9.976) 10.950 10.299 ( -0.281 -1.323 17.678) 17.729 10.596 ( 0.829 -0.079 -12.451) 12.479 11.886 ( 0.403 0.581 5.918) 5.960 11.996 ( 0.231 1.035 -4.946) 5.059 12.730 ( -1.002 -0.531 4.900) 5.029 12.828 ( 0.544 -0.174 -4.880) 4.913 13.273 ( 0.360 -0.522 14.012) 14.026 13.554 ( -1.292 0.415 -13.947) 14.013 15.593 ( -0.878 -0.271 14.537) 14.566 15.896 ( -1.277 0.271 -15.687) 15.741 17.842 ( 0.311 -0.928 10.140) 10.187 18.042 ( 0.852 -2.070 -9.878) 10.129 19.791 ( -2.431 -0.645 29.336) 29.444 20.303 ( 1.286 3.141 -12.761) 13.204 20.407 ( -0.487 -4.738 6.626) 8.160 20.734 ( 0.794 -1.174 -17.483) 17.540 ======================= Grid point 201 (112/115) ======================= q-point: ( 0.20 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -1.598 1.538 0.368) 2.249 1.703 ( -0.420 3.004 3.040) 4.294 1.935 ( -1.378 1.042 6.537) 6.761 2.067 ( -1.760 3.178 -5.989) 7.005 2.225 ( -1.448 -3.003 5.203) 6.180 2.312 ( -2.775 -4.272 -3.915) 6.425 2.635 ( -1.703 2.996 1.781) 3.879 2.702 ( -2.819 -3.410 1.415) 4.645 2.859 ( 4.327 2.918 0.347) 5.231 2.917 ( 2.802 -1.978 0.385) 3.452 3.180 ( -3.907 0.067 6.443) 7.535 3.245 ( -5.814 -0.679 -7.694) 9.667 3.289 ( -1.135 1.648 -4.021) 4.491 3.362 ( 1.453 -2.740 6.387) 7.100 3.778 ( 3.609 -0.726 4.980) 6.193 3.985 ( 3.940 0.504 -5.122) 6.481 4.062 ( 10.340 2.063 4.488) 11.459 4.110 ( 8.823 -0.800 -6.053) 10.729 4.579 ( -11.239 2.497 7.474) 13.727 4.718 ( -6.524 1.616 -2.077) 7.035 4.886 ( -5.629 1.502 0.235) 5.830 4.943 ( -2.256 -2.913 -3.178) 4.866 5.347 ( 5.679 1.019 7.307) 9.310 5.471 ( 5.536 -0.591 -9.389) 10.916 6.066 ( 1.182 -0.210 19.717) 19.754 6.353 ( 1.307 4.146 -12.936) 13.647 6.675 ( -0.007 -4.673 18.884) 19.454 7.065 ( -0.969 5.491 6.959) 8.917 7.135 ( 0.638 -3.128 -8.018) 8.630 7.504 ( 0.802 6.240 -19.979) 20.947 7.731 ( -1.343 -3.648 9.079) 9.876 7.914 ( -0.674 -4.594 -10.214) 11.220 10.287 ( -2.912 -0.845 17.143) 17.409 10.573 ( -0.964 -0.044 -13.127) 13.162 11.915 ( 1.219 0.480 5.315) 5.474 12.006 ( 1.257 1.214 -5.632) 5.897 12.706 ( -1.652 -0.645 5.569) 5.844 12.830 ( 0.297 -0.507 -4.930) 4.965 13.300 ( -0.092 -1.016 13.908) 13.945 13.499 ( -1.470 0.431 -11.422) 11.524 15.612 ( 0.371 0.029 15.889) 15.893 15.868 ( 0.908 -0.035 -13.321) 13.352 17.863 ( 0.234 -0.443 8.152) 8.167 18.035 ( -0.111 -1.848 -10.084) 10.252 19.831 ( 2.306 -1.767 28.798) 28.944 20.302 ( -3.645 2.126 11.982) 12.703 20.404 ( 3.157 -3.201 -16.686) 17.281 20.689 ( -2.548 -1.082 -17.359) 17.579 ======================= Grid point 202 (113/115) ======================= q-point: ( 0.40 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.158 -0.119 -0.382) 0.430 1.645 ( -4.519 0.541 1.439) 4.774 1.904 ( -1.971 1.817 3.943) 4.768 2.016 ( -1.572 2.821 -7.667) 8.319 2.228 ( 1.250 -0.217 5.846) 5.982 2.281 ( 0.382 -3.660 1.471) 3.963 2.599 ( -0.739 1.090 0.276) 1.345 2.662 ( -2.435 -0.106 2.091) 3.211 2.888 ( -2.922 1.138 4.237) 5.271 2.974 ( 3.240 -0.267 -4.282) 5.376 3.111 ( -2.371 0.014 8.770) 9.085 3.208 ( 2.862 -0.797 -3.424) 4.533 3.274 ( 1.887 0.676 -7.043) 7.322 3.338 ( -4.336 -1.597 1.027) 4.733 3.892 ( 3.381 -1.616 8.416) 9.213 4.110 ( 6.998 1.064 -10.418) 12.595 4.246 ( 4.058 2.742 2.384) 5.447 4.270 ( 3.892 1.794 1.232) 4.459 4.415 ( -1.619 2.208 8.397) 8.832 4.544 ( -6.151 -0.231 -3.723) 7.194 4.783 ( -3.574 2.575 -0.767) 4.471 4.872 ( -3.333 -5.174 -6.273) 8.788 5.433 ( 0.881 0.337 9.089) 9.138 5.567 ( 3.813 -0.386 -7.050) 8.025 6.086 ( -2.109 -0.454 19.063) 19.184 6.382 ( 2.687 4.194 -12.692) 13.634 6.727 ( 1.609 -4.343 17.413) 18.018 7.047 ( -1.507 5.433 14.886) 15.918 7.146 ( 1.383 -2.967 -15.065) 15.417 7.475 ( -0.546 5.718 -19.081) 19.927 7.712 ( -1.339 -3.001 7.382) 8.081 7.892 ( 0.210 -4.314 -10.276) 11.147 10.242 ( -3.122 -0.253 18.033) 18.303 10.537 ( -0.264 0.299 -12.877) 12.883 11.936 ( -0.207 0.652 4.794) 4.843 12.024 ( 0.934 1.342 -5.185) 5.437 12.689 ( -0.535 -0.849 6.427) 6.505 12.826 ( 0.101 -0.944 -6.279) 6.351 13.301 ( -1.514 -1.100 12.504) 12.643 13.483 ( 1.517 0.042 -8.778) 8.908 15.639 ( -0.153 0.026 14.712) 14.713 15.896 ( 3.116 0.127 -13.211) 13.574 17.867 ( -0.880 -0.075 6.909) 6.965 18.017 ( -0.115 -1.551 -8.768) 8.905 19.952 ( 4.067 -3.483 28.136) 28.641 20.193 ( -6.774 0.962 21.062) 22.145 20.495 ( 6.941 -1.193 -23.610) 24.638 20.586 ( -4.449 -0.873 -18.571) 19.116 ======================= Grid point 203 (114/115) ======================= q-point: (-0.40 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -2.721 -0.635 3.070) 4.151 1.596 ( 0.699 -0.993 4.655) 4.811 1.887 ( 0.316 1.682 3.503) 3.899 2.032 ( 4.207 2.209 -6.209) 7.818 2.252 ( -0.343 -1.233 3.231) 3.475 2.317 ( 2.236 -0.623 -1.188) 2.608 2.604 ( -2.088 1.146 0.191) 2.389 2.624 ( 2.930 0.987 3.709) 4.829 2.811 ( -4.365 -0.156 9.236) 10.217 2.977 ( -2.244 -0.064 1.197) 2.545 3.140 ( 3.091 0.683 3.074) 4.412 3.204 ( -6.123 -0.824 -2.751) 6.763 3.271 ( 2.877 -0.979 -6.698) 7.355 3.393 ( 8.230 0.010 -4.525) 9.392 3.866 ( -5.498 -0.550 11.015) 12.324 4.107 ( -7.007 -2.018 -11.428) 13.556 4.275 ( -2.638 6.029 -0.339) 6.590 4.318 ( -0.958 2.299 -1.269) 2.795 4.405 ( 2.728 1.008 7.355) 7.909 4.562 ( 5.603 0.449 -3.059) 6.400 4.789 ( 4.285 0.442 0.211) 4.313 4.841 ( 2.591 -4.652 -5.790) 7.867 5.409 ( -4.123 -0.354 8.112) 9.106 5.592 ( -0.883 0.404 -6.352) 6.426 6.043 ( -3.788 -0.620 19.513) 19.887 6.411 ( 1.291 4.113 -12.047) 12.795 6.754 ( -1.560 -3.748 17.322) 17.791 7.051 ( -0.185 5.850 9.449) 11.115 7.147 ( 0.719 -3.933 -10.042) 10.809 7.450 ( 1.121 5.677 -19.438) 20.281 7.702 ( -0.420 -3.016 7.484) 8.080 7.900 ( 1.783 -4.110 -10.077) 11.028 10.224 ( -0.745 -0.309 19.106) 19.123 10.537 ( 1.900 0.456 -12.044) 12.202 11.919 ( -1.765 0.820 5.119) 5.477 12.025 ( -0.195 1.246 -4.180) 4.366 12.702 ( 0.763 -0.798 6.317) 6.413 12.821 ( 0.349 -0.901 -6.867) 6.934 13.277 ( -2.018 -0.741 11.609) 11.806 13.529 ( 3.345 -0.176 -9.892) 10.444 15.637 ( -1.770 -0.234 12.603) 12.729 15.942 ( 2.467 0.508 -15.451) 15.655 17.848 ( -1.668 -0.201 8.027) 8.201 18.013 ( 0.890 -1.715 -7.687) 7.926 19.962 ( -7.034 -2.270 29.000) 29.927 20.199 ( 4.594 0.278 19.842) 20.369 20.460 ( -4.023 -1.741 -21.448) 21.891 20.614 ( 6.534 -0.759 -21.177) 22.175 ======================= Grid point 204 (115/115) ======================= q-point: (-0.20 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 2.224 0.483 5.126) 5.608 1.631 ( 1.287 -0.177 7.544) 7.655 1.922 ( 1.646 1.567 6.103) 6.513 2.127 ( 3.378 3.310 -7.676) 9.016 2.245 ( 0.386 -3.323 1.039) 3.503 2.338 ( 0.299 -1.908 -3.838) 4.297 2.606 ( 2.264 1.623 2.313) 3.621 2.719 ( 3.553 0.995 6.084) 7.115 2.746 ( -2.073 -0.950 6.937) 7.302 2.906 ( -3.715 -0.180 2.496) 4.479 3.129 ( 0.421 -0.864 2.418) 2.602 3.210 ( 2.282 0.872 1.638) 2.941 3.322 ( 2.402 -0.673 -6.883) 7.321 3.517 ( 2.214 -0.565 -7.243) 7.595 3.779 ( -2.659 0.490 9.834) 10.199 3.932 ( -5.291 -2.440 -8.333) 10.168 4.072 ( -12.494 1.240 -0.398) 12.562 4.193 ( -7.392 2.781 -6.570) 10.273 4.599 ( 9.428 1.927 7.112) 11.965 4.693 ( 5.941 0.434 -0.463) 5.975 4.906 ( 5.561 1.170 -1.435) 5.861 4.939 ( 5.425 -2.401 -3.561) 6.919 5.295 ( -6.655 -0.569 6.297) 9.179 5.511 ( -5.259 0.985 -7.620) 9.311 6.001 ( -2.357 -0.456 20.474) 20.615 6.398 ( -0.682 3.979 -12.085) 12.742 6.723 ( -3.294 -3.885 18.567) 19.253 7.052 ( 0.234 4.983 -3.821) 6.284 7.153 ( 0.067 -3.144 1.973) 3.712 7.466 ( 2.646 6.015 -20.150) 21.195 7.715 ( 0.432 -3.674 9.084) 9.808 7.927 ( 1.748 -4.249 -9.904) 10.918 10.259 ( 1.109 -0.934 18.882) 18.938 10.573 ( 2.577 0.183 -11.759) 12.039 11.889 ( -1.413 0.809 5.764) 5.990 12.008 ( -0.656 1.056 -4.039) 4.226 12.727 ( 0.550 -0.592 5.421) 5.481 12.822 ( 0.610 -0.447 -6.057) 6.104 13.259 ( -0.964 -0.380 12.493) 12.536 13.571 ( 1.634 0.038 -12.954) 13.057 15.609 ( -2.173 -0.387 12.508) 12.701 15.943 ( -0.317 0.583 -17.083) 17.096 17.831 ( -0.834 -0.718 10.092) 10.152 18.029 ( 1.416 -2.048 -8.360) 8.723 19.848 ( -6.398 -0.596 29.318) 30.014 20.303 ( 1.201 2.328 4.927) 5.580 20.386 ( 0.624 -4.345 -9.773) 10.714 20.704 ( 4.248 -1.162 -19.079) 19.581 =================== 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 3/19440 10.0 71.272 138.257 128.916 0.000 -18.896 0.000 3/19440 20.0 17.085 31.651 41.921 0.000 -4.002 0.000 3/19440 30.0 7.711 13.844 20.539 0.000 -1.700 0.000 3/19440 40.0 4.762 8.205 12.805 0.000 -0.977 0.000 3/19440 50.0 3.448 5.735 9.222 0.000 -0.663 0.000 3/19440 60.0 2.723 4.412 7.259 0.000 -0.499 0.000 3/19440 70.0 2.263 3.600 6.045 0.000 -0.401 0.000 3/19440 80.0 1.944 3.054 5.222 0.000 -0.338 0.000 3/19440 90.0 1.709 2.660 4.625 0.000 -0.294 0.000 3/19440 100.0 1.527 2.362 4.168 0.000 -0.261 0.000 3/19440 110.0 1.382 2.127 3.805 0.000 -0.236 0.000 3/19440 120.0 1.264 1.937 3.507 0.000 -0.215 0.000 3/19440 130.0 1.166 1.780 3.258 0.000 -0.199 0.000 3/19440 140.0 1.082 1.648 3.047 0.000 -0.185 0.000 3/19440 150.0 1.010 1.535 2.865 0.000 -0.173 0.000 3/19440 160.0 0.948 1.437 2.706 0.000 -0.163 0.000 3/19440 170.0 0.893 1.351 2.566 0.000 -0.154 0.000 3/19440 180.0 0.845 1.276 2.441 0.000 -0.146 0.000 3/19440 190.0 0.801 1.209 2.329 0.000 -0.139 0.000 3/19440 200.0 0.762 1.148 2.229 0.000 -0.132 0.000 3/19440 210.0 0.727 1.094 2.137 0.000 -0.127 0.000 3/19440 220.0 0.695 1.045 2.054 0.000 -0.121 0.000 3/19440 230.0 0.666 1.000 1.977 0.000 -0.117 0.000 3/19440 240.0 0.639 0.958 1.906 0.000 -0.112 0.000 3/19440 250.0 0.615 0.921 1.841 0.000 -0.108 0.000 3/19440 260.0 0.592 0.886 1.780 0.000 -0.104 0.000 3/19440 270.0 0.571 0.853 1.723 0.000 -0.101 0.000 3/19440 280.0 0.551 0.823 1.670 0.000 -0.098 0.000 3/19440 290.0 0.533 0.796 1.620 0.000 -0.095 0.000 3/19440 300.0 0.516 0.769 1.573 0.000 -0.092 0.000 3/19440 310.0 0.500 0.745 1.529 0.000 -0.089 0.000 3/19440 320.0 0.485 0.722 1.488 0.000 -0.087 0.000 3/19440 330.0 0.470 0.701 1.448 0.000 -0.084 0.000 3/19440 340.0 0.457 0.680 1.411 0.000 -0.082 0.000 3/19440 350.0 0.444 0.661 1.375 0.000 -0.080 0.000 3/19440 360.0 0.432 0.643 1.341 0.000 -0.078 0.000 3/19440 370.0 0.421 0.626 1.309 0.000 -0.076 0.000 3/19440 380.0 0.410 0.610 1.278 0.000 -0.074 0.000 3/19440 390.0 0.400 0.595 1.249 0.000 -0.072 0.000 3/19440 400.0 0.391 0.580 1.221 0.000 -0.071 0.000 3/19440 410.0 0.381 0.566 1.194 0.000 -0.069 0.000 3/19440 420.0 0.372 0.553 1.169 0.000 -0.067 0.000 3/19440 430.0 0.364 0.540 1.144 0.000 -0.066 0.000 3/19440 440.0 0.356 0.528 1.120 0.000 -0.065 0.000 3/19440 450.0 0.348 0.517 1.098 0.000 -0.063 0.000 3/19440 460.0 0.341 0.505 1.076 0.000 -0.062 0.000 3/19440 470.0 0.334 0.495 1.055 0.000 -0.061 0.000 3/19440 480.0 0.327 0.485 1.035 0.000 -0.060 0.000 3/19440 490.0 0.320 0.475 1.015 0.000 -0.058 0.000 3/19440 500.0 0.314 0.466 0.997 0.000 -0.057 0.000 3/19440 510.0 0.308 0.457 0.979 0.000 -0.056 0.000 3/19440 520.0 0.302 0.448 0.961 0.000 -0.055 0.000 3/19440 530.0 0.297 0.440 0.944 0.000 -0.054 0.000 3/19440 540.0 0.291 0.431 0.928 0.000 -0.053 0.000 3/19440 550.0 0.286 0.424 0.912 0.000 -0.052 0.000 3/19440 560.0 0.281 0.416 0.897 0.000 -0.051 0.000 3/19440 570.0 0.276 0.409 0.882 0.000 -0.051 0.000 3/19440 580.0 0.272 0.402 0.868 0.000 -0.050 0.000 3/19440 590.0 0.267 0.395 0.854 0.000 -0.049 0.000 3/19440 600.0 0.263 0.389 0.841 0.000 -0.048 0.000 3/19440 610.0 0.259 0.382 0.828 0.000 -0.047 0.000 3/19440 620.0 0.254 0.376 0.815 0.000 -0.047 0.000 3/19440 630.0 0.251 0.370 0.803 0.000 -0.046 0.000 3/19440 640.0 0.247 0.365 0.791 0.000 -0.045 0.000 3/19440 650.0 0.243 0.359 0.779 0.000 -0.045 0.000 3/19440 660.0 0.239 0.354 0.768 0.000 -0.044 0.000 3/19440 670.0 0.236 0.349 0.757 0.000 -0.043 0.000 3/19440 680.0 0.232 0.343 0.747 0.000 -0.043 0.000 3/19440 690.0 0.229 0.339 0.736 0.000 -0.042 0.000 3/19440 700.0 0.226 0.334 0.726 0.000 -0.042 0.000 3/19440 710.0 0.223 0.329 0.717 0.000 -0.041 0.000 3/19440 720.0 0.220 0.325 0.707 0.000 -0.040 0.000 3/19440 730.0 0.217 0.320 0.698 0.000 -0.040 0.000 3/19440 740.0 0.214 0.316 0.689 0.000 -0.039 0.000 3/19440 750.0 0.211 0.312 0.680 0.000 -0.039 0.000 3/19440 760.0 0.208 0.308 0.671 0.000 -0.038 0.000 3/19440 770.0 0.206 0.304 0.663 0.000 -0.038 0.000 3/19440 780.0 0.203 0.300 0.655 0.000 -0.037 0.000 3/19440 790.0 0.200 0.296 0.647 0.000 -0.037 0.000 3/19440 800.0 0.198 0.292 0.639 0.000 -0.037 0.000 3/19440 810.0 0.196 0.289 0.631 0.000 -0.036 0.000 3/19440 820.0 0.193 0.285 0.624 0.000 -0.036 0.000 3/19440 830.0 0.191 0.282 0.617 0.000 -0.035 0.000 3/19440 840.0 0.189 0.278 0.610 0.000 -0.035 0.000 3/19440 850.0 0.186 0.275 0.603 0.000 -0.034 0.000 3/19440 860.0 0.184 0.272 0.596 0.000 -0.034 0.000 3/19440 870.0 0.182 0.269 0.589 0.000 -0.034 0.000 3/19440 880.0 0.180 0.266 0.583 0.000 -0.033 0.000 3/19440 890.0 0.178 0.263 0.576 0.000 -0.033 0.000 3/19440 900.0 0.176 0.260 0.570 0.000 -0.033 0.000 3/19440 910.0 0.174 0.257 0.564 0.000 -0.032 0.000 3/19440 920.0 0.172 0.254 0.558 0.000 -0.032 0.000 3/19440 930.0 0.171 0.252 0.552 0.000 -0.032 0.000 3/19440 940.0 0.169 0.249 0.547 0.000 -0.031 0.000 3/19440 950.0 0.167 0.246 0.541 0.000 -0.031 0.000 3/19440 960.0 0.165 0.244 0.536 0.000 -0.031 0.000 3/19440 970.0 0.164 0.241 0.530 0.000 -0.030 0.000 3/19440 980.0 0.162 0.239 0.525 0.000 -0.030 0.000 3/19440 990.0 0.160 0.237 0.520 0.000 -0.030 0.000 3/19440 1000.0 0.159 0.234 0.515 0.000 -0.029 0.000 3/19440 Thermal conductivity related properties were written into "kappa-m599.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:18:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|